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Isoform 2 of E3 ubiquitin-protein ligase TRIM11 AlphaSync

Canonical isoform description: E3 ubiquitin-protein ligase that promotes the degradation of insoluble ubiquitinated proteins, including insoluble PAX6, poly-Gln repeat expanded HTT and poly-Ala repeat expanded ARX¹. Mediates PAX6 ubiquitination leading to proteasomal degradation, thereby modulating cortical neurogenesis². May also inhibit PAX6 transcriptional activity, possibly in part by preventing the binding of PAX6 to its consensus sequences³. May contribute to the regulation of the intracellular level of HN (humanin) or HN-containing proteins through the proteasomal degradation pathway⁴. Mediates MED15 ubiquitination leading to proteasomal degradation (By similarity). May contribute to the innate restriction of retroviruses⁵. Upon overexpression, reduces HIV-1 and murine leukemia virus infectivity, by suppressing viral gene expression⁶. Antiviral activity depends on a functional E3 ubiquitin-protein ligase domain⁷. May regulate TRIM5 turnover via the proteasome pathway, thus counteracting the TRIM5-mediated cross-species restriction of retroviral infection at early stages of the retroviral life cycle⁸. Acts as an inhibitor of the AIM2 inflammasome by promoting autophagy-dependent degradation of AIM2 (By similarity). Mechanistically, undergoes autoubiquitination upon DNA stimulation, promoting interaction with AIM2 and SQSTM1/p62, leading to AIM2 recruitment to autophagosomes (By similarity).

AlphaFold DB , UniProt , Accession Q99PQ2-2 (canonical: Q99PQ2), Species MOUSE (Mus musculus, Mouse), Gene Trim11, Length 483 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	64.1	Low	241 Å²	241	99.5 Å²	99.5	100%	1.187	59%	0.586	S	S	*	*				0	106.9	0	-62	-177.6	-154.3	0	0	105.7	A3	M1-A3 PolarHBondContact O-N 2.81Å
2	A	47.9	Very low	65.7	Low	100 Å²	100	103.1 Å²	103.1	83%	0.826	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-63	124.5	179.2	0	0	0	0	0	107.6
3	A	47.4	Very low	67.4	Low	88 Å²	88	106.3 Å²	106.3	73%	0.727	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-55.7	129.2	168.9	0	0	0	0	0	106.8	M1 D5	M1-A3 PolarHBondContact O-N 2.81Å; A3-D5 PolarHBondContact O-N 2.78Å
4	P	52.7	Low	69	Low	90 Å²	90	98.9 Å²	98.9	58%	0.584	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-54.8	129.9	-179.8	21.9	-31.3	0	0	0	108.5	L6	P4-L6 PolarHBondContact O-N 3.38Å
5	D	68.3	Low	70.4	Confident	102 Å²	102	94.6 Å²	94.6	55%	0.545	54%	0.535	S	S	.	.			trans	-58.2	114.9	178.6	-178.3	4.3	0	0	0	107.6	A3 S7 T8 N9	A3-D5 PolarHBondContact O-N 2.78Å; D5-S7 PolarHBondContact O-N 2.91Å; D5-S7 VanDerWaalsContact OD1-CB 3.28Å; D5-S7 WeakPolarHBondContact OD1-CB 3.48Å; D5-S7 PolarHBondContact OD1-N 2.7Å; D5-S7 VanDerWaalsContact OD1-N 3.12Å; D5-T8 PolarHBondContact O-N 2.83Å; D5-T8 PolarHBondContact O-OG1 3.47Å; D5-N9 PolarHBondContact O-N 3.08Å
6	L	70	Confident	71.8	Confident	153 Å²	153	88.7 Å²	88.7	80%	0.801	50%	0.502	S	S	*	.	H	α-helix	trans	-52.8	-26.4	179.8	-100.1	116.6	0	0	0	111.4	P4 L10	P4-L6 PolarHBondContact O-N 3.38Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 PolarHBondContact O-N 3.11Å; L6-L10 VanDerWaalsContact O-N 3.11Å
7	S	70.4	Confident	72.9	Confident	42 Å²	42	86.5 Å²	86.5	29%	0.294	50%	0.497	S	S	.	.	H	α-helix	trans	-66	-48.5	179.4	-172.5	0	0	0	0	113.6	D5 L10 Q11 H82	D5-S7 PolarHBondContact O-N 2.91Å; D5-S7 VanDerWaalsContact OD1-CB 3.28Å; D5-S7 WeakPolarHBondContact OD1-CB 3.48Å; D5-S7 PolarHBondContact OD1-N 2.7Å; D5-S7 VanDerWaalsContact OD1-N 3.12Å; S7-L10 PolarHBondContact O-N 3.32Å; S7-Q11 PolarHBondContact O-N 3.2Å; S7-Q11 VanDerWaalsContact O-N 3.17Å; S7-H82 PolarHBondContact OG-CE1 3.07Å; S7-H82 PolarHBondContact OG-NE2 3.33Å
8	T	73	Confident	73.8	Confident	70 Å²	70	83.6 Å²	83.6	43%	0.429	48%	0.479	S	S	.	.	H	α-helix	trans	-68.4	-41.4	179.6	31.7	0	0	0	0	112	D5 L10 Q11 E12	D5-T8 PolarHBondContact O-N 2.83Å; D5-T8 PolarHBondContact O-OG1 3.47Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-L10 PolarHBondContact O-N 3.46Å; T8-Q11 PolarHBondContact O-N 3.12Å; T8-Q11 VanDerWaalsContact O-N 3.15Å; T8-E12 PolarHBondContact O-N 3.13Å; T8-E12 VanDerWaalsContact O-N 3.09Å
9	N	78.8	Confident	74.6	Confident	72 Å²	72	82.1 Å²	82.1	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-62.5	-39.7	176.8	-69.8	0	0	0	0	111	D5 Q11 E12 E13	D5-N9 PolarHBondContact O-N 3.08Å; N9-Q11 VanDerWaalsContact C-N 3.32Å; N9-Q11 PolarHBondContact O-N 2.64Å; N9-E12 PolarHBondContact O-N 2.87Å; N9-E13 WeakPolarHBondContact O-CB 3.15Å; N9-E13 WeakPolarHBondContact O-CG 3.44Å; N9-E13 PolarHBondContact O-N 2.99Å; N9-E13 VanDerWaalsContact O-N 3.09Å
10	L	80.9	Confident	75.3	Confident	57 Å²	57	85 Å²	85	30%	0.298	49%	0.487	S	S	.	.	H	α-helix	trans	-64.2	-36.7	176.4	-176.3	66.5	0	0	0	112.2	L6 S7 T8 A14 M74 A78 L81	L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 PolarHBondContact O-N 3.11Å; L6-L10 VanDerWaalsContact O-N 3.11Å; S7-L10 PolarHBondContact O-N 3.32Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-L10 PolarHBondContact O-N 3.46Å; L10-A14 WeakPolarHBondContact O-CB 3.32Å; L10-A14 PolarHBondContact O-N 3.49Å; L10-A14 VanDerWaalsContact O-N 3.11Å; L10-M74 HydrophobicContact CD1-CE 4.26Å; L10-A78 HydrophobicContact CG-CB 4.45Å; L10-L81 HydrophobicContact CD2-CD1 4.05Å
11	Q	81.8	Confident	75.8	Confident	79 Å²	79	84.5 Å²	84.5	37%	0.369	48%	0.483	S	S	.	.	H	α-helix	trans	-67.2	-46.4	178.1	179.3	170.5	6	0	0	111.6	S7 T8 N9 A14 T15 Y22	S7-Q11 PolarHBondContact O-N 3.2Å; S7-Q11 VanDerWaalsContact O-N 3.17Å; T8-Q11 PolarHBondContact O-N 3.12Å; T8-Q11 VanDerWaalsContact O-N 3.15Å; N9-Q11 VanDerWaalsContact C-N 3.32Å; N9-Q11 PolarHBondContact O-N 2.64Å; Q11-A14 CarbonylContact O-C 3.57Å; Q11-A14 PolarHBondContact O-N 3.06Å; Q11-T15 WeakPolarHBondContact O-CB 3.4Å; Q11-T15 PolarHBondContact O-N 2.64Å; Q11-T15 PolarHBondContact O-OG1 3.48Å; Q11-Y22 HydrophobicContact CG-CE1 3.97Å; Q11-Y22 WeakPolarHBondContact CG-OH 3.25Å
12	E	83.5	Confident	78.5	Confident	143 Å²	143	73.5 Å²	73.5	67%	0.668	43%	0.428	S	S	*	.	H	α-helix	trans	-59.7	-47.9	177.2	-70.9	179.9	174.9	0	0	111.3	T8 N9 A14 T15	T8-E12 PolarHBondContact O-N 3.13Å; T8-E12 VanDerWaalsContact O-N 3.09Å; N9-E12 PolarHBondContact O-N 2.87Å; E12-A14 PolarHBondContact O-N 3.44Å; E12-T15 PolarHBondContact O-N 2.78Å; E12-T15 VanDerWaalsContact O-N 3.09Å
13	E	87.2	Confident	80.5	Confident	145 Å²	145	69.4 Å²	69.4	68%	0.678	39%	0.391	S	S	*	.	H	α-helix	trans	-65.9	-21.3	178.8	-67.5	-66.6	166.1	0	0	113.6	N9	N9-E13 WeakPolarHBondContact O-CB 3.15Å; N9-E13 WeakPolarHBondContact O-CG 3.44Å; N9-E13 PolarHBondContact O-N 2.99Å; N9-E13 VanDerWaalsContact O-N 3.09Å
14	A	90.4	Very high	82.5	Confident	2 Å²	2	69.2 Å²	69.2	2%	0.017	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.9	177.4	0	0	0	0	0	113.7	L10 Q11 E12 Y22 F23 A75 A78	L10-A14 WeakPolarHBondContact O-CB 3.32Å; L10-A14 PolarHBondContact O-N 3.49Å; L10-A14 VanDerWaalsContact O-N 3.11Å; Q11-A14 CarbonylContact O-C 3.57Å; Q11-A14 PolarHBondContact O-N 3.06Å; E12-A14 PolarHBondContact O-N 3.44Å; A14-Y22 HydrophobicContact CB-CD1 3.87Å; A14-Y22 HydrophobicContact CB-CE1 4.11Å; A14-Y22 WeakPolarHBondContact O-CA 3.39Å; A14-F23 WeakPolarHBondContact O-CD2 3.16Å; A14-F23 PolarHBondContact O-N 2.76Å; A14-A75 HydrophobicContact CB-CB 4.37Å; A14-A78 HydrophobicContact CB-CB 3.77Å
15	T	90.1	Very high	84.4	Confident	35 Å²	35	68.9 Å²	68.9	22%	0.215	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-105	136.9	-174	-63.7	0	0	0	0	111.3	Q11 E12 F23	Q11-T15 WeakPolarHBondContact O-CB 3.4Å; Q11-T15 PolarHBondContact O-N 2.64Å; Q11-T15 PolarHBondContact O-OG1 3.48Å; E12-T15 PolarHBondContact O-N 2.78Å; E12-T15 VanDerWaalsContact O-N 3.09Å; T15-F23 WeakPolarHBondContact O-CE2 3.32Å; T15-F23 VanDerWaalsContact O-CZ 3.22Å; T15-F23 WeakPolarHBondContact O-CZ 3.27Å
16	C	93.3	Very high	85.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.349	C	S	.	.			trans	-79.3	126.1	174.6	-179.8	0	0	0	0	111.1	I18 C19 L20 D21 F23 C36	C16-I18 PolarHBondContact O-N 2.83Å; C16-C19 PolarHBondContact O-N 3.26Å; C16-L20 VanDerWaalsContact O-CA 3.29Å; C16-L20 WeakPolarHBondContact O-CA 3.48Å; C16-L20 PolarHBondContact O-N 3.45Å; C16-D21 PolarHBondContact N-O 2.69Å; C16-F23 VanDerWaalsContact CA-CE1 3.43Å; C16-F23 HydrophobicContact CB-CD1 3.64Å; C16-F23 HydrophobicContact CB-CE1 3.52Å; C16-F23 HydrophobicContact CB-CG 4.5Å; C16-F23 HydrophobicContact CB-CZ 4.31Å; C16-C36 VanDerWaalsContact CB-SG 3.52Å; C16-C36 PolarHBondContact SG-N 2.88Å; C16-C36 VanDerWaalsContact SG-N 3.36Å
17	A	89.6	Confident	86.9	Confident	52 Å²	52	56.8 Å²	56.8	43%	0.43	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.7	178.5	0	0	0	0	0	115.2	F35 E55	A17-F35 HydrophobicContact CB-CE1 4.28Å; A17-E55 HydrophobicContact CB-CG 4.12Å; A17-E55 VanDerWaalsContact CB-OE1 3.26Å; A17-E55 WeakPolarHBondContact CB-OE1 3.15Å
18	I	89.4	Confident	88	Confident	34 Å²	34	58 Å²	58	17%	0.174	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-50.2	179.3	-58.8	166.4	0	0	0	111.8	C16 F35 C39 I40 C43 P54	C16-I18 PolarHBondContact O-N 2.83Å; I18-F35 HydrophobicContact CD1-CB 4.03Å; I18-F35 HydrophobicContact CD1-CD1 3.45Å; I18-F35 VanDerWaalsContact CD1-CD1 3.45Å; I18-F35 HydrophobicContact CD1-CE1 4.18Å; I18-F35 HydrophobicContact CD1-CG 3.87Å; I18-F35 HydrophobicContact CG1-CD1 3.72Å; I18-F35 HydrophobicContact CG1-CE1 4.17Å; I18-C39 HydrophobicContact CB-CB 3.75Å; I18-C39 HydrophobicContact CD1-CB 3.72Å; I18-C39 HydrophobicContact CG1-CB 4.34Å; I18-C39 HydrophobicContact CG2-CB 3.69Å; I18-I40 HydrophobicContact CD1-CB 4.4Å; I18-I40 HydrophobicContact CD1-CD1 4.35Å; I18-C43 HydrophobicContact CD1-CB 4.44Å; I18-P54 HydrophobicContact CD1-CG 4.14Å; I18-P54 HydrophobicContact CG1-CG 4.49Å
19	C	89.7	Confident	88.9	Confident	55 Å²	55	55.1 Å²	55.1	37%	0.372	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-9.4	-179.8	65.7	0	0	0	0	113.7	C16 D21	C16-C19 PolarHBondContact O-N 3.26Å; C19-D21 PolarHBondContact O-N 2.97Å
20	L	87.1	Confident	89.4	Confident	140 Å²	140	55.6 Å²	55.6	73%	0.733	30%	0.298	S	S	*	.	S	Bend	trans	55	30.4	-176.8	-51.1	178	0	0	0	112.8	C16	C16-L20 VanDerWaalsContact O-CA 3.29Å; C16-L20 WeakPolarHBondContact O-CA 3.48Å; C16-L20 PolarHBondContact O-N 3.45Å
21	D	87	Confident	89.9	Confident	75 Å²	75	54.7 Å²	54.7	40%	0.401	30%	0.295	S	S	.	.	S	Bend	trans	-130.1	163.6	176.4	-163.7	-1.3	0	0	0	109	C16 C19 F23	C16-D21 PolarHBondContact N-O 2.69Å; C19-D21 PolarHBondContact O-N 2.97Å; D21-F23 PolarHBondContact O-N 3.46Å
22	Y	89.2	Confident	90.4	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.035	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-52.6	138.4	177.8	-70.5	-63.2	0	0	0	111.7	Q11 A14 T24 A78 R79 H82	Q11-Y22 HydrophobicContact CG-CE1 3.97Å; Q11-Y22 WeakPolarHBondContact CG-OH 3.25Å; A14-Y22 HydrophobicContact CB-CD1 3.87Å; A14-Y22 HydrophobicContact CB-CE1 4.11Å; A14-Y22 WeakPolarHBondContact O-CA 3.39Å; Y22-T24 PolarHBondContact O-N 2.99Å; Y22-T24 PolarHBondContact O-OG1 2.9Å; Y22-A78 HydrophobicContact CD1-CB 3.98Å; Y22-A78 HydrophobicContact CE1-CB 3.5Å; Y22-A78 VanDerWaalsContact CE1-CB 3.5Å; Y22-R79 HydrophobicContact CD2-CB 3.83Å; Y22-R79 HydrophobicContact CD2-CG 3.85Å; Y22-R79 HydrophobicContact CE2-CB 4.2Å; Y22-R79 HydrophobicContact CE2-CG 4.32Å; Y22-R79 HydrophobicContact CG-CB 4.2Å; Y22-R79 PolarHBondContact O-NH2 3.44Å; Y22-R79 VanDerWaalsContact O-NH2 3.09Å; Y22-H82 VanDerWaalsContact OH-CB 3.31Å; Y22-H82 WeakPolarHBondContact OH-CB 3.29Å
23	F	91.4	Very high	90.9	Very high	14 Å²	14	48.4 Å²	48.4	6%	0.061	28%	0.276	C	S	.	.			trans	-50.7	126.8	-179.7	-72.1	-68.9	0	0	0	112.6	A14 T15 C16 D21 P26 N34 L71 A75	A14-F23 WeakPolarHBondContact O-CD2 3.16Å; A14-F23 PolarHBondContact O-N 2.76Å; T15-F23 WeakPolarHBondContact O-CE2 3.32Å; T15-F23 VanDerWaalsContact O-CZ 3.22Å; T15-F23 WeakPolarHBondContact O-CZ 3.27Å; C16-F23 VanDerWaalsContact CA-CE1 3.43Å; C16-F23 HydrophobicContact CB-CD1 3.64Å; C16-F23 HydrophobicContact CB-CE1 3.52Å; C16-F23 HydrophobicContact CB-CG 4.5Å; C16-F23 HydrophobicContact CB-CZ 4.31Å; D21-F23 PolarHBondContact O-N 3.46Å; F23-P26 HydrophobicContact CB-CB 3.77Å; F23-P26 HydrophobicContact CB-CG 3.88Å; F23-P26 HydrophobicContact CD1-CB 3.91Å; F23-P26 HydrophobicContact CG-CB 3.85Å; F23-P26 HydrophobicContact CG-CG 4.42Å; F23-N34 HydrophobicContact CE1-CB 4.14Å; F23-N34 WeakPolarHBondContact CE1-O 3.35Å; F23-N34 HydrophobicContact CZ-CB 3.94Å; F23-N34 WeakPolarHBondContact CZ-O 3.12Å; F23-L71 HydrophobicContact CD2-CD1 4.04Å; F23-L71 HydrophobicContact CD2-CD2 3.73Å; F23-L71 HydrophobicContact CD2-CG 3.76Å; F23-L71 HydrophobicContact CE2-CD1 4.13Å; F23-L71 HydrophobicContact CE2-CD2 3.64Å; F23-L71 HydrophobicContact CE2-CG 4.07Å; F23-L71 HydrophobicContact CG-CD2 4.29Å; F23-L71 HydrophobicContact CG-CG 4.42Å; F23-L71 HydrophobicContact CZ-CD2 4.11Å; F23-A75 HydrophobicContact CB-CB 3.84Å
24	T	89.4	Confident	91.2	Very high	84 Å²	84	43 Å²	43	52%	0.515	25%	0.251	S	S	.	.	S	Bend	trans	-115.3	114.8	169.7	-53.8	0	0	0	0	106.9	Y22 C36 R79	Y22-T24 PolarHBondContact O-N 2.99Å; Y22-T24 PolarHBondContact O-OG1 2.9Å; T24-C36 PolarHBondContact N-SG 3.05Å; T24-C36 WeakPolarHBondContact O-CA 3.44Å; T24-C36 VanDerWaalsContact O-CB 3.29Å; T24-C36 WeakPolarHBondContact O-CB 3.43Å; T24-R79 PolarHBondContact OG1-NH2 3.02Å; T24-R79 VanDerWaalsContact OG1-NH2 3.1Å
25	D	92.6	Very high	91.4	Very high	83 Å²	83	43 Å²	43	44%	0.444	25%	0.251	S	S	.	.	S	Bend	trans	49.9	65	-169.9	-175.1	22.2	0	0	0	113	R37	D25-R37 HydrophobicContact CB-CB 4.4Å; D25-R37 WeakPolarHBondContact O-CB 3.46Å; D25-R37 PolarHBondContact O-N 3.25Å; D25-R37 IonicContact OD1-CZ 3.27Å; D25-R37 IonicContact OD1-NE 2.83Å; D25-R37 IonicContact OD1-NH2 3.59Å; D25-R37 PolarHBondContact OD1-NH2 3.45Å; D25-R37 WeakPolarHBondContact OD2-CB 3.23Å; D25-R37 VanDerWaalsContact OD2-CD 3.32Å; D25-R37 WeakPolarHBondContact OD2-CD 3.41Å; D25-R37 IonicContact OD2-CZ 3.97Å; D25-R37 IonicContact OD2-NE 3.98Å; D25-R37 PolarHBondContact OD2-NE 3.29Å; D25-R37 IonicContact OD2-NH2 3.27Å
26	P	94.6	Very high	91.7	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.013	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	135.6	-178.8	20.9	-27.9	0	0	0	112.6	F23 F35 N68 L71 A72	F23-P26 HydrophobicContact CB-CB 3.77Å; F23-P26 HydrophobicContact CB-CG 3.88Å; F23-P26 HydrophobicContact CD1-CB 3.91Å; F23-P26 HydrophobicContact CG-CB 3.85Å; F23-P26 HydrophobicContact CG-CG 4.42Å; P26-F35 CarbonylContact C-O 3.56Å; P26-F35 WeakPolarHBondContact CA-O 3.46Å; P26-N68 PolarHBondContact O-N 3.3Å; P26-L71 HydrophobicContact CB-CB 4.42Å; P26-L71 HydrophobicContact CB-CD2 3.95Å; P26-L71 HydrophobicContact CB-CG 4.22Å; P26-L71 HydrophobicContact CG-CB 4.2Å; P26-L71 HydrophobicContact CG-CG 4.29Å; P26-A72 VanDerWaalsContact CG-CA 3.5Å; P26-A72 HydrophobicContact CG-CB 3.63Å; P26-A72 VanDerWaalsContact CG-N 3.35Å
27	V	95	Very high	91.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.6	173.6	-69.3	0	0	0	0	110.3	N34 F35 R37 I40 L65 R66	V27-N34 CarbonylContact O-C 3.6Å; V27-N34 VanDerWaalsContact O-CA 3.3Å; V27-N34 WeakPolarHBondContact O-CA 3.3Å; V27-F35 VanDerWaalsContact CG2-O 3.31Å; V27-F35 WeakPolarHBondContact CG2-O 3.5Å; V27-F35 PolarHBondContact N-O 3.15Å; V27-F35 PolarHBondContact O-N 3.41Å; V27-R37 HydrophobicContact CG1-CB 4.03Å; V27-R37 HydrophobicContact CG1-CG 4.27Å; V27-R37 HydrophobicContact CG2-CB 4.32Å; V27-I40 HydrophobicContact CG2-CG2 3.62Å; V27-L65 HydrophobicContact CB-CB 4.02Å; V27-L65 HydrophobicContact CB-CD2 4.26Å; V27-L65 HydrophobicContact CG1-CB 4.29Å; V27-L65 HydrophobicContact CG2-CB 4.28Å; V27-L65 HydrophobicContact CG2-CD1 4.19Å; V27-L65 HydrophobicContact CG2-CD2 3.87Å; V27-L65 HydrophobicContact CG2-CG 4.34Å; V27-R66 CarbonylContact C-O 3.54Å; V27-R66 WeakPolarHBondContact CA-O 3.1Å
28	M	94.6	Very high	91.7	Very high	66 Å²	66	47.4 Å²	47.4	33%	0.325	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.3	177.5	-165.8	-178.8	-68.2	0	0	109.9	G32 H33 N34 R66 N68	M28-G32 WeakPolarHBondContact CG-O 3.35Å; M28-H33 WeakPolarHBondContact CA-O 3.45Å; M28-N34 WeakPolarHBondContact CB-OD1 3.38Å; M28-N34 WeakPolarHBondContact CE-OD1 3.37Å; M28-R66 PolarHBondContact N-O 3.27Å; M28-R66 PolarHBondContact O-N 2.9Å; M28-N68 HydrophobicContact CE-CB 4.49Å; M28-N68 WeakPolarHBondContact CE-ND2 3.24Å
29	T	91.5	Very high	91.9	Very high	10 Å²	10	46.6 Å²	46.6	6%	0.061	26%	0.256	C	S	.	.			trans	-79.1	165.2	170.7	57.8	0	0	0	0	111.1	C31 G32 H33 F35 W44 L65	T29-C31 PolarHBondContact O-N 3.03Å; T29-C31 PolarHBondContact OG1-SG 3.27Å; T29-G32 PolarHBondContact O-N 3.19Å; T29-H33 PolarHBondContact N-O 3.07Å; T29-H33 PolarHBondContact OG1-N 2.97Å; T29-H33 PolarHBondContact OG1-O 2.8Å; T29-F35 HydrophobicContact CG2-CD2 3.91Å; T29-F35 HydrophobicContact CG2-CE2 3.9Å; T29-W44 HydrophobicContact CG2-CH2 4.42Å; T29-W44 HydrophobicContact CG2-CZ2 4.17Å; T29-L65 HydrophobicContact CG2-CD2 4.1Å
30	D	88.6	Confident	91.9	Very high	83 Å²	83	44 Å²	44	44%	0.444	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.8	178.1	-67	-39.2	0	0	0	113	G32 S60	D30-G32 PolarHBondContact O-N 3.29Å; D30-S60 PolarHBondContact OD2-OG 3.31Å
31	C	91.6	Very high	92	Very high	37 Å²	37	42.8 Å²	42.8	25%	0.25	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	0.7	175.8	69.2	0	0	0	0	114.4	T29 H33 C53 C56 E58	T29-C31 PolarHBondContact O-N 3.03Å; T29-C31 PolarHBondContact OG1-SG 3.27Å; C31-H33 PolarHBondContact SG-ND1 2.78Å; C31-C53 VanDerWaalsContact SG-CB 3.54Å; C31-C53 PolarHBondContact SG-SG 2.96Å; C31-C56 PolarHBondContact SG-SG 3.44Å; C31-E58 HydrophobicContact CB-CB 4.15Å; C31-E58 HydrophobicContact CB-CG 4.42Å; C31-E58 WeakPolarHBondContact CB-OE2 3.47Å
32	G	91.6	Very high	92	Very high	35 Å²	35	47.7 Å²	47.7	36%	0.361	24%	0.237	S	C	.	.	S	Bend	trans	92.7	-11.3	174.8	0	0	0	0	0	116.3	M28 T29 D30 N34	M28-G32 WeakPolarHBondContact CG-O 3.35Å; T29-G32 PolarHBondContact O-N 3.19Å; D30-G32 PolarHBondContact O-N 3.29Å; G32-N34 PolarHBondContact O-ND2 2.81Å
33	H	94.2	Very high	91.8	Very high	56 Å²	56	50.5 Å²	50.5	26%	0.259	26%	0.257	S	S	.	.			trans	-74.7	147.7	177.7	-61.3	98.8	0	0	0	112.1	M28 T29 C31 F35 E55 C56	M28-H33 WeakPolarHBondContact CA-O 3.45Å; T29-H33 PolarHBondContact N-O 3.07Å; T29-H33 PolarHBondContact OG1-N 2.97Å; T29-H33 PolarHBondContact OG1-O 2.8Å; C31-H33 PolarHBondContact SG-ND1 2.78Å; H33-F35 HydrophobicContact CB-CE2 3.78Å; H33-F35 HydrophobicContact CB-CZ 3.95Å; H33-E55 HydrophobicContact CB-CB 4.44Å; H33-E55 IonicContact CD2-OE2 2.95Å; H33-E55 PolarHBondContact CD2-OE2 3.49Å; H33-E55 IonicContact CG-OE2 3.7Å; H33-E55 IonicContact NE2-OE2 3.79Å; H33-C56 VanDerWaalsContact CE1-CB 3.48Å; H33-C56 WeakPolarHBondContact CE1-CB 3.35Å
34	N	94.9	Very high	91.6	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.171	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.3	-172.7	-61.6	-84.4	0	0	0	112	F23 V27 M28 G32 N68 L71	F23-N34 HydrophobicContact CE1-CB 4.14Å; F23-N34 WeakPolarHBondContact CE1-O 3.35Å; F23-N34 HydrophobicContact CZ-CB 3.94Å; F23-N34 WeakPolarHBondContact CZ-O 3.12Å; V27-N34 CarbonylContact O-C 3.6Å; V27-N34 VanDerWaalsContact O-CA 3.3Å; V27-N34 WeakPolarHBondContact O-CA 3.3Å; M28-N34 WeakPolarHBondContact CB-OD1 3.38Å; M28-N34 WeakPolarHBondContact CE-OD1 3.37Å; G32-N34 PolarHBondContact O-ND2 2.81Å; N34-N68 PolarHBondContact OD1-ND2 3.29Å; N34-L71 HydrophobicContact CB-CD2 3.37Å; N34-L71 VanDerWaalsContact CG-CD2 3.44Å
35	F	94.9	Very high	90.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.4	-179.5	-58.4	-74.5	0	0	0	110.4	A17 I18 P26 V27 T29 H33 R37 I40 P54 E55	A17-F35 HydrophobicContact CB-CE1 4.28Å; I18-F35 HydrophobicContact CD1-CB 4.03Å; I18-F35 HydrophobicContact CD1-CD1 3.45Å; I18-F35 VanDerWaalsContact CD1-CD1 3.45Å; I18-F35 HydrophobicContact CD1-CE1 4.18Å; I18-F35 HydrophobicContact CD1-CG 3.87Å; I18-F35 HydrophobicContact CG1-CD1 3.72Å; I18-F35 HydrophobicContact CG1-CE1 4.17Å; P26-F35 CarbonylContact C-O 3.56Å; P26-F35 WeakPolarHBondContact CA-O 3.46Å; V27-F35 VanDerWaalsContact CG2-O 3.31Å; V27-F35 WeakPolarHBondContact CG2-O 3.5Å; V27-F35 PolarHBondContact N-O 3.15Å; V27-F35 PolarHBondContact O-N 3.41Å; T29-F35 HydrophobicContact CG2-CD2 3.91Å; T29-F35 HydrophobicContact CG2-CE2 3.9Å; H33-F35 HydrophobicContact CB-CE2 3.78Å; H33-F35 HydrophobicContact CB-CZ 3.95Å; F35-R37 PolarHBondContact O-N 3.24Å; F35-I40 HydrophobicContact CB-CB 3.76Å; F35-I40 HydrophobicContact CB-CG1 4.43Å; F35-I40 HydrophobicContact CB-CG2 4.32Å; F35-I40 HydrophobicContact CD2-CB 4.42Å; F35-I40 HydrophobicContact CD2-CD1 3.79Å; F35-I40 HydrophobicContact CD2-CG1 4.19Å; F35-I40 HydrophobicContact CE2-CD1 4.23Å; F35-I40 HydrophobicContact CG-CB 4.27Å; F35-I40 HydrophobicContact CG-CD1 4.14Å; F35-I40 HydrophobicContact CG-CG1 4.49Å; F35-P54 HydrophobicContact CE1-CB 4.05Å; F35-P54 HydrophobicContact CE1-CG 4.19Å; F35-P54 HydrophobicContact CE2-CG 4.47Å; F35-P54 HydrophobicContact CZ-CB 4.06Å; F35-P54 HydrophobicContact CZ-CG 4.09Å; F35-E55 HydrophobicContact CE1-CG 3.94Å; F35-E55 WeakPolarHBondContact CE1-OE1 3.37Å; F35-E55 HydrophobicContact CZ-CB 4.18Å; F35-E55 HydrophobicContact CZ-CG 3.79Å
36	C	94.9	Very high	90.1	Very high	6 Å²	6	53 Å²	53	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	136.6	164.8	-58.2	0	0	0	0	108.7	C16 T24 E38 C39 I40	C16-C36 VanDerWaalsContact CB-SG 3.52Å; C16-C36 PolarHBondContact SG-N 2.88Å; C16-C36 VanDerWaalsContact SG-N 3.36Å; T24-C36 PolarHBondContact N-SG 3.05Å; T24-C36 WeakPolarHBondContact O-CA 3.44Å; T24-C36 VanDerWaalsContact O-CB 3.29Å; T24-C36 WeakPolarHBondContact O-CB 3.43Å; C36-E38 PolarHBondContact O-N 3.31Å; C36-E38 VanDerWaalsContact O-N 3.16Å; C36-C39 HydrophobicContact CB-CB 3.87Å; C36-C39 WeakPolarHBondContact O-CB 3.47Å; C36-C39 PolarHBondContact O-N 3.06Å; C36-I40 PolarHBondContact O-N 3.33Å
37	R	93.1	Very high	88.8	Confident	48 Å²	48	57.6 Å²	57.6	18%	0.181	30%	0.303	C	S	.	.	H	α-helix	trans	-51.1	-44.3	-178.4	-175.2	-176.6	-58	-76.4	-10.5	112.6	D25 V27 F35 I40 R41	D25-R37 HydrophobicContact CB-CB 4.4Å; D25-R37 WeakPolarHBondContact O-CB 3.46Å; D25-R37 PolarHBondContact O-N 3.25Å; D25-R37 IonicContact OD1-CZ 3.27Å; D25-R37 IonicContact OD1-NE 2.83Å; D25-R37 IonicContact OD1-NH2 3.59Å; D25-R37 PolarHBondContact OD1-NH2 3.45Å; D25-R37 WeakPolarHBondContact OD2-CB 3.23Å; D25-R37 VanDerWaalsContact OD2-CD 3.32Å; D25-R37 WeakPolarHBondContact OD2-CD 3.41Å; D25-R37 IonicContact OD2-CZ 3.97Å; D25-R37 IonicContact OD2-NE 3.98Å; D25-R37 PolarHBondContact OD2-NE 3.29Å; D25-R37 IonicContact OD2-NH2 3.27Å; V27-R37 HydrophobicContact CG1-CB 4.03Å; V27-R37 HydrophobicContact CG1-CG 4.27Å; V27-R37 HydrophobicContact CG2-CB 4.32Å; F35-R37 PolarHBondContact O-N 3.24Å; R37-I40 WeakPolarHBondContact O-CG2 3.33Å; R37-R41 WeakPolarHBondContact O-CB 3.04Å; R37-R41 VanDerWaalsContact O-CG 3.25Å; R37-R41 WeakPolarHBondContact O-CG 3.31Å; R37-R41 PolarHBondContact O-N 3.04Å; R37-R41 VanDerWaalsContact O-N 3.11Å
38	E	90.9	Very high	87.8	Confident	127 Å²	127	65.2 Å²	65.2	59%	0.593	34%	0.339	S	S	*	.	H	α-helix	trans	-70.3	-37.5	-179.3	-166.7	53.8	-147.3	0	0	112.2	C36 R41 R42	C36-E38 PolarHBondContact O-N 3.31Å; C36-E38 VanDerWaalsContact O-N 3.16Å; E38-R41 PolarHBondContact O-N 3.23Å; E38-R42 WeakPolarHBondContact O-CB 3.45Å; E38-R42 PolarHBondContact O-N 3.35Å
39	C	92.8	Very high	86.7	Confident	16 Å²	16	64.2 Å²	64.2	11%	0.108	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-47.9	178.6	-71	0	0	0	0	112	I18 C36 R42 C43	I18-C39 HydrophobicContact CB-CB 3.75Å; I18-C39 HydrophobicContact CD1-CB 3.72Å; I18-C39 HydrophobicContact CG1-CB 4.34Å; I18-C39 HydrophobicContact CG2-CB 3.69Å; C36-C39 HydrophobicContact CB-CB 3.87Å; C36-C39 WeakPolarHBondContact O-CB 3.47Å; C36-C39 PolarHBondContact O-N 3.06Å; C39-R42 PolarHBondContact O-N 3.11Å; C39-C43 PolarHBondContact O-N 3.41Å
40	I	90.5	Very high	86	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-69.5	-35.3	179.3	-167.7	61.3	0	0	0	111.9	I18 V27 F35 C36 R37 C43 W44 P54 L65	I18-I40 HydrophobicContact CD1-CB 4.4Å; I18-I40 HydrophobicContact CD1-CD1 4.35Å; V27-I40 HydrophobicContact CG2-CG2 3.62Å; F35-I40 HydrophobicContact CB-CB 3.76Å; F35-I40 HydrophobicContact CB-CG1 4.43Å; F35-I40 HydrophobicContact CB-CG2 4.32Å; F35-I40 HydrophobicContact CD2-CB 4.42Å; F35-I40 HydrophobicContact CD2-CD1 3.79Å; F35-I40 HydrophobicContact CD2-CG1 4.19Å; F35-I40 HydrophobicContact CE2-CD1 4.23Å; F35-I40 HydrophobicContact CG-CB 4.27Å; F35-I40 HydrophobicContact CG-CD1 4.14Å; F35-I40 HydrophobicContact CG-CG1 4.49Å; C36-I40 PolarHBondContact O-N 3.33Å; R37-I40 WeakPolarHBondContact O-CG2 3.33Å; I40-C43 PolarHBondContact O-N 3.48Å; I40-W44 HydrophobicContact CD1-CD2 4.26Å; I40-W44 HydrophobicContact CD1-CZ2 3.92Å; I40-W44 HydrophobicContact CG1-CD2 3.93Å; I40-W44 HydrophobicContact CG1-CE3 4.19Å; I40-W44 HydrophobicContact CG1-CH2 4.05Å; I40-W44 HydrophobicContact CG1-CZ2 3.72Å; I40-W44 HydrophobicContact CG1-CZ3 4.27Å; I40-W44 PolarHBondContact O-N 3.23Å; I40-P54 VanDerWaalsContact CD1-CD 3.49Å; I40-P54 HydrophobicContact CD1-CG 3.62Å; I40-L65 HydrophobicContact CG1-CD2 4.31Å; I40-L65 HydrophobicContact CG2-CD1 3.66Å; I40-L65 HydrophobicContact CG2-CD2 4.09Å
41	R	88.2	Confident	86	Confident	116 Å²	116	65.2 Å²	65.2	44%	0.438	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-45.7	172.9	-81.5	177.4	174.5	171.3	-4.1	111.6	R37 E38 W44 G45	R37-R41 WeakPolarHBondContact O-CB 3.04Å; R37-R41 VanDerWaalsContact O-CG 3.25Å; R37-R41 WeakPolarHBondContact O-CG 3.31Å; R37-R41 PolarHBondContact O-N 3.04Å; R37-R41 VanDerWaalsContact O-N 3.11Å; E38-R41 PolarHBondContact O-N 3.23Å; R41-W44 PolarHBondContact O-N 2.93Å; R41-G45 PolarHBondContact O-N 3.02Å
42	R	87.3	Confident	85.8	Confident	177 Å²	177	65.5 Å²	65.5	67%	0.668	36%	0.359	S	S	*	.	H	α-helix	trans	-62.8	-41.8	176.4	-169.2	177.4	73.3	-178.5	2.6	111.8	E38 C39 G45	E38-R42 WeakPolarHBondContact O-CB 3.45Å; E38-R42 PolarHBondContact O-N 3.35Å; C39-R42 PolarHBondContact O-N 3.11Å; R42-G45 PolarHBondContact O-N 3.35Å
43	C	84.8	Confident	85.8	Confident	69 Å²	69	64 Å²	64	47%	0.466	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-40.4	176	-82.9	0	0	0	0	113	I18 C39 I40 G45 P54	I18-C43 HydrophobicContact CD1-CB 4.44Å; C39-C43 PolarHBondContact O-N 3.41Å; I40-C43 PolarHBondContact O-N 3.48Å; C43-G45 VanDerWaalsContact C-N 3.31Å; C43-P54 HydrophobicContact CB-CG 4.41Å
44	W	87.5	Confident	85.6	Confident	35 Å²	35	64.1 Å²	64.1	13%	0.133	35%	0.349	C	S	.	.	H	α-helix	trans	-74.6	-24.5	176	-69.1	-17.8	0	0	0	112.9	T29 I40 R41 Q46 Y51 A52 R63 L65	T29-W44 HydrophobicContact CG2-CH2 4.42Å; T29-W44 HydrophobicContact CG2-CZ2 4.17Å; I40-W44 HydrophobicContact CD1-CD2 4.26Å; I40-W44 HydrophobicContact CD1-CZ2 3.92Å; I40-W44 HydrophobicContact CG1-CD2 3.93Å; I40-W44 HydrophobicContact CG1-CE3 4.19Å; I40-W44 HydrophobicContact CG1-CH2 4.05Å; I40-W44 HydrophobicContact CG1-CZ2 3.72Å; I40-W44 HydrophobicContact CG1-CZ3 4.27Å; I40-W44 PolarHBondContact O-N 3.23Å; R41-W44 PolarHBondContact O-N 2.93Å; W44-Q46 VanDerWaalsContact C-N 3.31Å; W44-Q46 PolarHBondContact O-N 3.47Å; W44-Y51 HydrophobicContact CB-CD1 4.08Å; W44-Y51 AromaticContact CD2-CD1 3.93Å; W44-Y51 HydrophobicContact CD2-CD1 3.93Å; W44-Y51 HydrophobicContact CD2-CG 4.24Å; W44-Y51 HydrophobicContact CE3-CD1 4.14Å; W44-Y51 HydrophobicContact CE3-CG 4.43Å; W44-Y51 AromaticContact CG-CD1 3.91Å; W44-Y51 HydrophobicContact CG-CD1 3.91Å; W44-A52 PolarHBondContact NE1-O 3.11Å; W44-R63 HydrophobicContact CE3-CG 4.42Å; W44-R63 HydrophobicContact CZ3-CB 4.15Å; W44-R63 HydrophobicContact CZ3-CG 4.42Å; W44-L65 HydrophobicContact CE3-CD1 4.27Å; W44-L65 HydrophobicContact CH2-CD1 4.19Å; W44-L65 HydrophobicContact CH2-CD2 3.43Å; W44-L65 VanDerWaalsContact CH2-CD2 3.43Å; W44-L65 HydrophobicContact CH2-CG 3.8Å; W44-L65 HydrophobicContact CZ2-CD2 4.38Å; W44-L65 HydrophobicContact CZ3-CD1 3.55Å; W44-L65 HydrophobicContact CZ3-CD2 3.72Å; W44-L65 HydrophobicContact CZ3-CG 3.58Å
45	G	75.7	Confident	85.3	Confident	54 Å²	54	66.9 Å²	66.9	56%	0.557	36%	0.361	S	S	*	.			trans	60.4	-87.8	175.9	0	0	0	0	0	112	R41 R42 C43	R41-G45 PolarHBondContact O-N 3.02Å; R42-G45 PolarHBondContact O-N 3.35Å; C43-G45 VanDerWaalsContact C-N 3.31Å
46	Q	74.1	Confident	85.2	Confident	145 Å²	145	69.7 Å²	69.7	68%	0.678	38%	0.38	S	S	*	.	S	Bend	trans	-73.4	154.5	-174.1	-64	-170.4	-6.6	0	0	113.3	W44 E48	W44-Q46 VanDerWaalsContact C-N 3.31Å; W44-Q46 PolarHBondContact O-N 3.47Å; Q46-E48 PolarHBondContact O-N 3.47Å
47	P	68.3	Low	84.9	Confident	97 Å²	97	79.1 Å²	79.1	63%	0.63	41%	0.414	S	S	*	.	S	Bend	trans	-77.3	-4.8	179.8	-2.2	18.3	0	0	0	114.9	Y51	P47-Y51 PolarHBondContact O-OH 2.82Å
48	E	74.2	Confident	84.8	Confident	161 Å²	161	82.7 Å²	82.7	75%	0.752	43%	0.433	S	S	*	.	S	Bend	trans	-118.6	135.9	-175.6	-64.9	-178.1	179.5	0	0	109.9	Q46 Y51	Q46-E48 PolarHBondContact O-N 3.47Å; E48-Y51 VanDerWaalsContact CA-OH 3.32Å; E48-Y51 WeakPolarHBondContact CA-OH 3.31Å; E48-Y51 PolarHBondContact N-OH 3.25Å
49	G	71	Confident	84.6	Confident	44 Å²	44	82.1 Å²	82.1	45%	0.454	43%	0.433	S	S	.	.	S	Bend	trans	-76.2	180	-169.6	0	0	0	0	0	113.9	Y51	G49-Y51 VanDerWaalsContact CA-CZ 3.44Å; G49-Y51 VanDerWaalsContact N-CZ 3.31Å; G49-Y51 PolarHBondContact N-OH 3.22Å; G49-Y51 VanDerWaalsContact N-OH 3.14Å
50	P	77.6	Confident	84.2	Confident	99 Å²	99	82.6 Å²	82.6	64%	0.643	44%	0.437	S	S	*	.			cis	-87.1	147.7	15.4	33.5	-36.1	0	0	0	114.3	L59	P50-L59 HydrophobicContact CB-CD2 4Å; P50-L59 HydrophobicContact CG-CD2 4.29Å
51	Y	87.4	Confident	83.9	Confident	16 Å²	16	87 Å²	87	6%	0.063	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	99.1	-176.9	-50.9	-69	0	0	0	110.7	W44 P47 E48 G49 S60 R63	W44-Y51 HydrophobicContact CB-CD1 4.08Å; W44-Y51 AromaticContact CD2-CD1 3.93Å; W44-Y51 HydrophobicContact CD2-CD1 3.93Å; W44-Y51 HydrophobicContact CD2-CG 4.24Å; W44-Y51 HydrophobicContact CE3-CD1 4.14Å; W44-Y51 HydrophobicContact CE3-CG 4.43Å; W44-Y51 AromaticContact CG-CD1 3.91Å; W44-Y51 HydrophobicContact CG-CD1 3.91Å; P47-Y51 PolarHBondContact O-OH 2.82Å; E48-Y51 VanDerWaalsContact CA-OH 3.32Å; E48-Y51 WeakPolarHBondContact CA-OH 3.31Å; E48-Y51 PolarHBondContact N-OH 3.25Å; G49-Y51 VanDerWaalsContact CA-CZ 3.44Å; G49-Y51 VanDerWaalsContact N-CZ 3.31Å; G49-Y51 PolarHBondContact N-OH 3.22Å; G49-Y51 VanDerWaalsContact N-OH 3.14Å; Y51-S60 WeakPolarHBondContact CD2-O 3.24Å; Y51-S60 PolarHBondContact N-O 2.9Å; Y51-S60 VanDerWaalsContact N-O 3.13Å; Y51-S60 PolarHBondContact O-N 2.89Å; Y51-R63 HydrophobicContact CD1-CG 3.88Å; Y51-R63 HydrophobicContact CD2-CG 3.8Å; Y51-R63 HydrophobicContact CE1-CG 3.38Å; Y51-R63 HydrophobicContact CE2-CB 4.39Å; Y51-R63 HydrophobicContact CE2-CG 3.31Å; Y51-R63 HydrophobicContact CG-CG 4.07Å; Y51-R63 WeakPolarHBondContact OH-CD 3.35Å; Y51-R63 WeakPolarHBondContact OH-CG 3.43Å
52	A	88.6	Confident	83.6	Confident	42 Å²	42	87.1 Å²	87.1	35%	0.347	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.1	176.1	0	0	0	0	0	111.1	W44 P54 E58 L59	W44-A52 PolarHBondContact NE1-O 3.11Å; A52-P54 WeakPolarHBondContact O-CD 3.42Å; A52-E58 WeakPolarHBondContact CA-O 3.44Å; A52-L59 HydrophobicContact CB-CD2 3.72Å
53	C	91	Very high	83.4	Confident	4 Å²	4	83 Å²	83	3%	0.027	46%	0.464	C	S	.	.			trans	-67	126.7	167	178	0	0	0	0	110.3	C31 E55 C56 R57 E58	C31-C53 VanDerWaalsContact SG-CB 3.54Å; C31-C53 PolarHBondContact SG-SG 2.96Å; C53-E55 PolarHBondContact O-N 3.38Å; C53-E55 PolarHBondContact SG-N 3.02Å; C53-C56 VanDerWaalsContact CB-SG 3.57Å; C53-C56 VanDerWaalsContact SG-SG 3.69Å; C53-R57 WeakPolarHBondContact O-CA 3.5Å; C53-R57 PolarHBondContact O-N 3.43Å; C53-E58 PolarHBondContact N-O 2.79Å
54	P	89.9	Confident	83.4	Confident	58 Å²	58	82.8 Å²	82.8	38%	0.377	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.6	178	-27.7	36.5	0	0	0	114.9	I18 F35 I40 C43 A52	I18-P54 HydrophobicContact CD1-CG 4.14Å; I18-P54 HydrophobicContact CG1-CG 4.49Å; F35-P54 HydrophobicContact CE1-CB 4.05Å; F35-P54 HydrophobicContact CE1-CG 4.19Å; F35-P54 HydrophobicContact CE2-CG 4.47Å; F35-P54 HydrophobicContact CZ-CB 4.06Å; F35-P54 HydrophobicContact CZ-CG 4.09Å; I40-P54 VanDerWaalsContact CD1-CD 3.49Å; I40-P54 HydrophobicContact CD1-CG 3.62Å; C43-P54 HydrophobicContact CB-CG 4.41Å; A52-P54 WeakPolarHBondContact O-CD 3.42Å
55	E	89.3	Confident	83.5	Confident	91 Å²	91	82.5 Å²	82.5	43%	0.425	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-58	-178.4	-77.6	-178.8	-145.3	0	0	112.9	A17 H33 F35 C53	A17-E55 HydrophobicContact CB-CG 4.12Å; A17-E55 VanDerWaalsContact CB-OE1 3.26Å; A17-E55 WeakPolarHBondContact CB-OE1 3.15Å; H33-E55 HydrophobicContact CB-CB 4.44Å; H33-E55 IonicContact CD2-OE2 2.95Å; H33-E55 PolarHBondContact CD2-OE2 3.49Å; H33-E55 IonicContact CG-OE2 3.7Å; H33-E55 IonicContact NE2-OE2 3.79Å; F35-E55 HydrophobicContact CE1-CG 3.94Å; F35-E55 WeakPolarHBondContact CE1-OE1 3.37Å; F35-E55 HydrophobicContact CZ-CB 4.18Å; F35-E55 HydrophobicContact CZ-CG 3.79Å; C53-E55 PolarHBondContact O-N 3.38Å; C53-E55 PolarHBondContact SG-N 3.02Å
56	C	91.8	Very high	84.3	Confident	58 Å²	58	88.5 Å²	88.5	39%	0.392	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.3	-176.9	67.9	0	0	0	0	115	C31 H33 C53 E58	C31-C56 PolarHBondContact SG-SG 3.44Å; H33-C56 VanDerWaalsContact CE1-CB 3.48Å; H33-C56 WeakPolarHBondContact CE1-CB 3.35Å; C53-C56 VanDerWaalsContact CB-SG 3.57Å; C53-C56 VanDerWaalsContact SG-SG 3.69Å; C56-E58 PolarHBondContact O-N 3.31Å; C56-E58 VanDerWaalsContact O-N 3.17Å; C56-E58 VanDerWaalsContact SG-CB 3.51Å
57	R	89.8	Confident	85.3	Confident	205 Å²	205	85.2 Å²	85.2	77%	0.774	46%	0.456	S	S	*	.			trans	63.2	10.1	-176.5	-52.2	179	-178.8	177.9	-0.3	115.6	C53 L59	C53-R57 WeakPolarHBondContact O-CA 3.5Å; C53-R57 PolarHBondContact O-N 3.43Å; R57-L59 PolarHBondContact O-N 3.3Å
58	E	90.6	Very high	86.5	Confident	122 Å²	122	81.9 Å²	81.9	57%	0.57	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-63	134.3	173.9	-171.1	152	-138.5	0	0	110.7	C31 A52 C53 C56	C31-E58 HydrophobicContact CB-CB 4.15Å; C31-E58 HydrophobicContact CB-CG 4.42Å; C31-E58 WeakPolarHBondContact CB-OE2 3.47Å; A52-E58 WeakPolarHBondContact CA-O 3.44Å; C53-E58 PolarHBondContact N-O 2.79Å; C56-E58 PolarHBondContact O-N 3.31Å; C56-E58 VanDerWaalsContact O-N 3.17Å; C56-E58 VanDerWaalsContact SG-CB 3.51Å
59	L	86.9	Confident	87.4	Confident	115 Å²	115	83.7 Å²	83.7	60%	0.602	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.4	-175.9	-63.6	167.8	0	0	0	109.5	P50 A52 R57	P50-L59 HydrophobicContact CB-CD2 4Å; P50-L59 HydrophobicContact CG-CD2 4.29Å; A52-L59 HydrophobicContact CB-CD2 3.72Å; R57-L59 PolarHBondContact O-N 3.3Å
60	S	84.7	Confident	88.5	Confident	26 Å²	26	85.7 Å²	85.7	18%	0.182	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140	165.9	-173.4	0	0	0	0	110.6	D30 Y51 Q62	D30-S60 PolarHBondContact OD2-OG 3.31Å; Y51-S60 WeakPolarHBondContact CD2-O 3.24Å; Y51-S60 PolarHBondContact N-O 2.9Å; Y51-S60 VanDerWaalsContact N-O 3.13Å; Y51-S60 PolarHBondContact O-N 2.89Å; S60-Q62 VanDerWaalsContact C-N 3.29Å; S60-Q62 PolarHBondContact OG-N 3.04Å; S60-Q62 PolarHBondContact OG-O 2.97Å
61	A	82.5	Confident	89.2	Confident	94 Å²	94	81.9 Å²	81.9	78%	0.777	41%	0.412	S	S	*	.	S	Bend	trans	-74.6	-21	172.9	0	0	0	0	0	112.3
62	Q	82.5	Confident	89.4	Confident	118 Å²	118	82.8 Å²	82.8	55%	0.551	42%	0.423	S	S	*	.	S	Bend	trans	-121.6	149.9	-175.2	-65.2	-177.1	-8	0	0	110.9	S60 N64	S60-Q62 VanDerWaalsContact C-N 3.29Å; S60-Q62 PolarHBondContact OG-N 3.04Å; S60-Q62 PolarHBondContact OG-O 2.97Å; Q62-N64 PolarHBondContact O-N 3.44Å; Q62-N64 PolarHBondContact OE1-ND2 3.2Å
63	R	82.6	Confident	89.5	Confident	90 Å²	90	87.4 Å²	87.4	34%	0.34	44%	0.435	S	S	.	.			trans	-79.8	45.9	173.7	-59.3	-176.6	92.1	-176.2	8.7	111.7	W44 Y51 L65	W44-R63 HydrophobicContact CE3-CG 4.42Å; W44-R63 HydrophobicContact CZ3-CB 4.15Å; W44-R63 HydrophobicContact CZ3-CG 4.42Å; Y51-R63 HydrophobicContact CD1-CG 3.88Å; Y51-R63 HydrophobicContact CD2-CG 3.8Å; Y51-R63 HydrophobicContact CE1-CG 3.38Å; Y51-R63 HydrophobicContact CE2-CB 4.39Å; Y51-R63 HydrophobicContact CE2-CG 3.31Å; Y51-R63 HydrophobicContact CG-CG 4.07Å; Y51-R63 WeakPolarHBondContact OH-CD 3.35Å; Y51-R63 WeakPolarHBondContact OH-CG 3.43Å; R63-L65 PolarHBondContact O-N 3.31Å
64	N	85.6	Confident	89.5	Confident	65 Å²	65	91.6 Å²	91.6	35%	0.348	46%	0.455	S	S	.	.			trans	-74.8	103	-178.4	-70.3	-21.9	0	0	0	109.4	Q62	Q62-N64 PolarHBondContact O-N 3.44Å; Q62-N64 PolarHBondContact OE1-ND2 3.2Å
65	L	90.1	Very high	89.4	Confident	29 Å²	29	88.9 Å²	88.9	15%	0.152	44%	0.438	C	S	.	.			trans	-116.8	106.9	176.8	-71.5	175.9	0	0	0	109	V27 T29 I40 W44 R63	V27-L65 HydrophobicContact CB-CB 4.02Å; V27-L65 HydrophobicContact CB-CD2 4.26Å; V27-L65 HydrophobicContact CG1-CB 4.29Å; V27-L65 HydrophobicContact CG2-CB 4.28Å; V27-L65 HydrophobicContact CG2-CD1 4.19Å; V27-L65 HydrophobicContact CG2-CD2 3.87Å; V27-L65 HydrophobicContact CG2-CG 4.34Å; T29-L65 HydrophobicContact CG2-CD2 4.1Å; I40-L65 HydrophobicContact CG1-CD2 4.31Å; I40-L65 HydrophobicContact CG2-CD1 3.66Å; I40-L65 HydrophobicContact CG2-CD2 4.09Å; W44-L65 HydrophobicContact CE3-CD1 4.27Å; W44-L65 HydrophobicContact CH2-CD1 4.19Å; W44-L65 HydrophobicContact CH2-CD2 3.43Å; W44-L65 VanDerWaalsContact CH2-CD2 3.43Å; W44-L65 HydrophobicContact CH2-CG 3.8Å; W44-L65 HydrophobicContact CZ2-CD2 4.38Å; W44-L65 HydrophobicContact CZ3-CD1 3.55Å; W44-L65 HydrophobicContact CZ3-CD2 3.72Å; W44-L65 HydrophobicContact CZ3-CG 3.58Å; R63-L65 PolarHBondContact O-N 3.31Å
66	R	92.8	Very high	89.3	Confident	180 Å²	180	89.3 Å²	89.3	68%	0.679	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.5	179.7	-64.6	-177.1	-174.4	-178.2	3.3	109.6	V27 M28 N68	V27-R66 CarbonylContact C-O 3.54Å; V27-R66 WeakPolarHBondContact CA-O 3.1Å; M28-R66 PolarHBondContact N-O 3.27Å; M28-R66 PolarHBondContact O-N 2.9Å; R66-N68 PolarHBondContact O-N 3.45Å
67	P	93.9	Very high	89	Confident	76 Å²	76	92.3 Å²	92.3	49%	0.494	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	125.4	175.3	-18.5	28.4	0	0	0	111.4	R69	P67-R69 PolarHBondContact O-N 2.84Å
68	N	94.5	Very high	88.7	Confident	27 Å²	27	82.6 Å²	82.6	14%	0.144	41%	0.413	C	S	.	.			trans	-97.3	78.6	177.2	-170.2	-13.7	0	0	0	110.1	P26 M28 N34 R66 P70 L71 A72	P26-N68 PolarHBondContact O-N 3.3Å; M28-N68 HydrophobicContact CE-CB 4.49Å; M28-N68 WeakPolarHBondContact CE-ND2 3.24Å; N34-N68 PolarHBondContact OD1-ND2 3.29Å; R66-N68 PolarHBondContact O-N 3.45Å; N68-P70 WeakPolarHBondContact OD1-CD 3.42Å; N68-L71 HydrophobicContact CB-CB 4.04Å; N68-L71 WeakPolarHBondContact ND2-CB 3.39Å; N68-L71 PolarHBondContact O-N 2.83Å; N68-L71 WeakPolarHBondContact OD1-CB 3.25Å; N68-L71 PolarHBondContact OD1-N 2.91Å; N68-A72 PolarHBondContact O-N 2.83Å
69	R	93.4	Very high	88.4	Confident	199 Å²	199	80.9 Å²	80.9	75%	0.751	40%	0.401	S	S	*	.	H	α-helix	trans	-59.4	-38.7	-177.4	-62.6	-178.8	177.9	176.2	-0.3	114.1	P67 A72 K73	P67-R69 PolarHBondContact O-N 2.84Å; R69-A72 WeakPolarHBondContact O-CB 3.47Å; R69-A72 PolarHBondContact O-N 3.17Å; R69-K73 PolarHBondContact O-N 3.19Å
70	P	92.8	Very high	88.1	Confident	86 Å²	86	84.2 Å²	84.2	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-58.9	-46.6	172.9	-26.4	35.4	0	0	0	112.7	N68 A72 K73 M74	N68-P70 WeakPolarHBondContact OD1-CD 3.42Å; P70-A72 VanDerWaalsContact C-N 3.29Å; P70-A72 PolarHBondContact O-N 3.35Å; P70-K73 WeakPolarHBondContact O-CB 3.42Å; P70-K73 PolarHBondContact O-N 2.92Å; P70-K73 VanDerWaalsContact O-N 3.13Å; P70-M74 WeakPolarHBondContact O-CG 3.42Å; P70-M74 PolarHBondContact O-N 3.29Å
71	L	93.3	Very high	87.8	Confident	18 Å²	18	88.5 Å²	88.5	9%	0.094	43%	0.426	C	S	.	.	H	α-helix	trans	-64.1	-34.9	178	-173.7	61.3	0	0	0	112.2	F23 P26 N34 N68 K73 M74 A75	F23-L71 HydrophobicContact CD2-CD1 4.04Å; F23-L71 HydrophobicContact CD2-CD2 3.73Å; F23-L71 HydrophobicContact CD2-CG 3.76Å; F23-L71 HydrophobicContact CE2-CD1 4.13Å; F23-L71 HydrophobicContact CE2-CD2 3.64Å; F23-L71 HydrophobicContact CE2-CG 4.07Å; F23-L71 HydrophobicContact CG-CD2 4.29Å; F23-L71 HydrophobicContact CG-CG 4.42Å; F23-L71 HydrophobicContact CZ-CD2 4.11Å; P26-L71 HydrophobicContact CB-CB 4.42Å; P26-L71 HydrophobicContact CB-CD2 3.95Å; P26-L71 HydrophobicContact CB-CG 4.22Å; P26-L71 HydrophobicContact CG-CB 4.2Å; P26-L71 HydrophobicContact CG-CG 4.29Å; N34-L71 HydrophobicContact CB-CD2 3.37Å; N34-L71 VanDerWaalsContact CG-CD2 3.44Å; N68-L71 HydrophobicContact CB-CB 4.04Å; N68-L71 WeakPolarHBondContact ND2-CB 3.39Å; N68-L71 PolarHBondContact O-N 2.83Å; N68-L71 WeakPolarHBondContact OD1-CB 3.25Å; N68-L71 PolarHBondContact OD1-N 2.91Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.49Å; L71-M74 PolarHBondContact O-N 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.3Å; L71-A75 PolarHBondContact O-N 3.29Å
72	A	91.5	Very high	87.2	Confident	35 Å²	35	87.1 Å²	87.1	29%	0.289	40%	0.403	S	S	.	.	H	α-helix	trans	-59	-44.2	173.5	0	0	0	0	0	111.8	P26 N68 R69 P70 A75 E76	P26-A72 VanDerWaalsContact CG-CA 3.5Å; P26-A72 HydrophobicContact CG-CB 3.63Å; P26-A72 VanDerWaalsContact CG-N 3.35Å; N68-A72 PolarHBondContact O-N 2.83Å; R69-A72 WeakPolarHBondContact O-CB 3.47Å; R69-A72 PolarHBondContact O-N 3.17Å; P70-A72 VanDerWaalsContact C-N 3.29Å; P70-A72 PolarHBondContact O-N 3.35Å; A72-A75 PolarHBondContact O-N 2.85Å; A72-E76 PolarHBondContact O-N 3.3Å
73	K	90.6	Very high	86.2	Confident	140 Å²	140	86.1 Å²	86.1	61%	0.609	41%	0.407	S	S	*	.	H	α-helix	trans	-66.3	-41.2	175.8	-68.7	-178.6	178.3	-175.3	0	111.7	R69 P70 L71 E76 M77	R69-K73 PolarHBondContact O-N 3.19Å; P70-K73 WeakPolarHBondContact O-CB 3.42Å; P70-K73 PolarHBondContact O-N 2.92Å; P70-K73 VanDerWaalsContact O-N 3.13Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.49Å; K73-E76 PolarHBondContact O-N 2.96Å; K73-M77 VanDerWaalsContact O-CG 3.3Å; K73-M77 WeakPolarHBondContact O-CG 3.46Å; K73-M77 PolarHBondContact O-N 2.99Å
74	M	89.8	Confident	85	Confident	92 Å²	92	85.6 Å²	85.6	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-63.7	-41.9	177.3	-68.6	176.5	80.2	0	0	111.6	L10 P70 L71 M77 A78	L10-M74 HydrophobicContact CD1-CE 4.26Å; P70-M74 WeakPolarHBondContact O-CG 3.42Å; P70-M74 PolarHBondContact O-N 3.29Å; L71-M74 PolarHBondContact O-N 3.28Å; M74-M77 PolarHBondContact O-N 2.88Å; M74-A78 WeakPolarHBondContact O-CB 3.37Å; M74-A78 PolarHBondContact O-N 3.37Å
75	A	87.9	Confident	83.9	Confident	1 Å²	1	87.5 Å²	87.5	1%	0.008	43%	0.434	C	S	.	.	H	α-helix	trans	-65	-38.3	175.8	0	0	0	0	0	112.6	A14 F23 L71 A72 A78 R79	A14-A75 HydrophobicContact CB-CB 4.37Å; F23-A75 HydrophobicContact CB-CB 3.84Å; L71-A75 WeakPolarHBondContact O-CB 3.3Å; L71-A75 PolarHBondContact O-N 3.29Å; A72-A75 PolarHBondContact O-N 2.85Å; A75-A78 PolarHBondContact O-N 2.9Å; A75-R79 VanDerWaalsContact O-CB 3.3Å; A75-R79 WeakPolarHBondContact O-CB 3.47Å; A75-R79 PolarHBondContact O-N 3.06Å
76	E	87.2	Confident	82.4	Confident	100 Å²	100	91.6 Å²	91.6	47%	0.467	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-41.9	173.4	-163.9	-169.9	155.4	0	0	111.8	A72 K73 R79 R80	A72-E76 PolarHBondContact O-N 3.3Å; K73-E76 PolarHBondContact O-N 2.96Å; E76-R79 PolarHBondContact O-N 3.42Å; E76-R80 WeakPolarHBondContact O-CG 3.15Å; E76-R80 PolarHBondContact O-N 3.42Å; E76-R80 IonicContact OE1-CZ 2.78Å; E76-R80 IonicContact OE1-NE 3.98Å; E76-R80 PolarHBondContact OE1-NE 2.93Å; E76-R80 IonicContact OE1-NH2 3.14Å; E76-R80 PolarHBondContact OE1-NH2 3.38Å
77	M	85.4	Confident	81	Confident	121 Å²	121	86.3 Å²	86.3	60%	0.596	45%	0.45	S	S	*	.	H	α-helix	trans	-62.9	-44.8	174.9	-71.4	174.1	177.4	0	0	111.6	K73 M74 R79 R80 L81	K73-M77 VanDerWaalsContact O-CG 3.3Å; K73-M77 WeakPolarHBondContact O-CG 3.46Å; K73-M77 PolarHBondContact O-N 2.99Å; M74-M77 PolarHBondContact O-N 2.88Å; M77-R79 VanDerWaalsContact C-N 3.35Å; M77-R79 PolarHBondContact O-N 3.27Å; M77-R80 PolarHBondContact O-N 3.39Å; M77-L81 WeakPolarHBondContact O-CG 3.39Å; M77-L81 PolarHBondContact O-N 3.49Å
78	A	85.1	Confident	79.9	Confident	1 Å²	1	87 Å²	87	1%	0.008	45%	0.454	C	S	.	.	H	α-helix	trans	-61.8	-41.9	176.4	0	0	0	0	0	111.7	L10 A14 Y22 M74 A75 R80 L81 H82	L10-A78 HydrophobicContact CG-CB 4.45Å; A14-A78 HydrophobicContact CB-CB 3.77Å; Y22-A78 HydrophobicContact CD1-CB 3.98Å; Y22-A78 HydrophobicContact CE1-CB 3.5Å; Y22-A78 VanDerWaalsContact CE1-CB 3.5Å; M74-A78 WeakPolarHBondContact O-CB 3.37Å; M74-A78 PolarHBondContact O-N 3.37Å; A75-A78 PolarHBondContact O-N 2.9Å; A78-R80 VanDerWaalsContact C-N 3.28Å; A78-R80 PolarHBondContact O-N 3.18Å; A78-L81 PolarHBondContact O-N 2.86Å; A78-L81 VanDerWaalsContact O-N 3.15Å; A78-H82 PolarHBondContact O-N 3.15Å
79	R	82.9	Confident	79.1	Confident	85 Å²	85	95.3 Å²	95.3	32%	0.321	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-29.7	175.7	-164.3	-177.8	-64.4	-158.4	2	113.1	Y22 T24 A75 E76 M77 H82 P83	Y22-R79 HydrophobicContact CD2-CB 3.83Å; Y22-R79 HydrophobicContact CD2-CG 3.85Å; Y22-R79 HydrophobicContact CE2-CB 4.2Å; Y22-R79 HydrophobicContact CE2-CG 4.32Å; Y22-R79 HydrophobicContact CG-CB 4.2Å; Y22-R79 PolarHBondContact O-NH2 3.44Å; Y22-R79 VanDerWaalsContact O-NH2 3.09Å; T24-R79 PolarHBondContact OG1-NH2 3.02Å; T24-R79 VanDerWaalsContact OG1-NH2 3.1Å; A75-R79 VanDerWaalsContact O-CB 3.3Å; A75-R79 WeakPolarHBondContact O-CB 3.47Å; A75-R79 PolarHBondContact O-N 3.06Å; E76-R79 PolarHBondContact O-N 3.42Å; M77-R79 VanDerWaalsContact C-N 3.35Å; M77-R79 PolarHBondContact O-N 3.27Å; R79-H82 CarbonylContact O-C 3.59Å; R79-P83 VanDerWaalsContact O-CA 3.31Å; R79-P83 WeakPolarHBondContact O-CA 3.41Å
80	R	80.9	Confident	78.7	Confident	185 Å²	185	88 Å²	88	70%	0.698	48%	0.478	S	S	*	.	H	α-helix	trans	-75.2	-34.3	173.1	-71.1	174.1	-173.8	-127.6	5.1	112.4	E76 M77 A78	E76-R80 WeakPolarHBondContact O-CG 3.15Å; E76-R80 PolarHBondContact O-N 3.42Å; E76-R80 IonicContact OE1-CZ 2.78Å; E76-R80 IonicContact OE1-NE 3.98Å; E76-R80 PolarHBondContact OE1-NE 2.93Å; E76-R80 IonicContact OE1-NH2 3.14Å; E76-R80 PolarHBondContact OE1-NH2 3.38Å; M77-R80 PolarHBondContact O-N 3.39Å; A78-R80 VanDerWaalsContact C-N 3.28Å; A78-R80 PolarHBondContact O-N 3.18Å
81	L	77.7	Confident	78.5	Confident	116 Å²	116	85.8 Å²	85.8	61%	0.607	46%	0.464	S	S	*	.	H	α-helix	trans	-71.7	-33.8	175.3	-68.9	169.6	0	0	0	111.5	L10 M77 A78	L10-L81 HydrophobicContact CD2-CD1 4.05Å; M77-L81 WeakPolarHBondContact O-CG 3.39Å; M77-L81 PolarHBondContact O-N 3.49Å; A78-L81 PolarHBondContact O-N 2.86Å; A78-L81 VanDerWaalsContact O-N 3.15Å
82	H	71.2	Confident	78.2	Confident	65 Å²	65	85.5 Å²	85.5	30%	0.301	46%	0.463	S	S	.	.	S	Bend	trans	-132.4	82.4	179.3	-61.1	-65.7	0	0	0	110.3	S7 Y22 A78 R79	S7-H82 PolarHBondContact OG-CE1 3.07Å; S7-H82 PolarHBondContact OG-NE2 3.33Å; Y22-H82 VanDerWaalsContact OH-CB 3.31Å; Y22-H82 WeakPolarHBondContact OH-CB 3.29Å; A78-H82 PolarHBondContact O-N 3.15Å; R79-H82 CarbonylContact O-C 3.59Å
83	P	60.2	Low	77.8	Confident	97 Å²	97	87.8 Å²	87.8	63%	0.63	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-60.2	135.7	175.9	21.9	-30.3	0	0	0	110	R79 S85	R79-P83 VanDerWaalsContact O-CA 3.31Å; R79-P83 WeakPolarHBondContact O-CA 3.41Å; P83-S85 PolarHBondContact O-N 3.28Å
84	P	59.1	Low	77.4	Confident	80 Å²	80	85 Å²	85	52%	0.519	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-57.4	133.8	175.4	21.5	-30	0	0	0	109
85	S	60.7	Low	77.1	Confident	105 Å²	105	83.7 Å²	83.7	73%	0.734	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-51.7	128.8	-179.5	-57	0	0	0	0	109.5	P83 V87	P83-S85 PolarHBondContact O-N 3.28Å; S85-V87 PolarHBondContact O-N 3.4Å
86	P	58.6	Low	76.8	Confident	115 Å²	115	92.9 Å²	92.9	75%	0.747	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-54.4	130.3	178.9	19.9	-29.8	0	0	0	108.7	P88	P86-P88 VanDerWaalsContact O-CD 3.25Å; P86-P88 WeakPolarHBondContact O-CD 3.27Å; P86-P88 VanDerWaalsContact O-N 3.13Å
87	V	63.9	Low	76.8	Confident	68 Å²	68	92.2 Å²	92.2	41%	0.412	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-55.6	119.5	171.5	177	0	0	0	0	106.5	S85 V91	S85-V87 PolarHBondContact O-N 3.4Å; V87-V91 HydrophobicContact CG1-CG2 3.54Å
88	P	71.6	Confident	77	Confident	90 Å²	90	89.5 Å²	89.5	58%	0.584	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-54.5	144.8	-179.7	-24.5	31	0	0	0	111	P86 G90 V91	P86-P88 VanDerWaalsContact O-CD 3.25Å; P86-P88 WeakPolarHBondContact O-CD 3.27Å; P86-P88 VanDerWaalsContact O-N 3.13Å; P88-G90 PolarHBondContact O-N 3.13Å; P88-V91 HydrophobicContact CB-CG2 3.97Å; P88-V91 HydrophobicContact CG-CG2 4.16Å; P88-V91 WeakPolarHBondContact O-CG2 3.38Å; P88-V91 PolarHBondContact O-N 2.99Å
89	Q	78.3	Confident	77.4	Confident	202 Å²	202	91 Å²	91	94%	0.944	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	131.4	171.7	-70.9	-179.3	-8.1	0	0	109.2
90	G	84.7	Confident	77.8	Confident	45 Å²	45	89.9 Å²	89.9	46%	0.464	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	4.3	178.6	0	0	0	0	0	116.1	P88 P98 L99	P88-G90 PolarHBondContact O-N 3.13Å; G90-P98 WeakPolarHBondContact O-CA 3.49Å; G90-L99 PolarHBondContact O-N 2.67Å
91	V	87.6	Confident	78.4	Confident	41 Å²	41	81.8 Å²	81.8	25%	0.248	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-114.8	146.1	170.5	-72.9	0	0	0	0	112.4	V87 P88 A93 E97	V87-V91 HydrophobicContact CG1-CG2 3.54Å; P88-V91 HydrophobicContact CB-CG2 3.97Å; P88-V91 HydrophobicContact CG-CG2 4.16Å; P88-V91 WeakPolarHBondContact O-CG2 3.38Å; P88-V91 PolarHBondContact O-N 2.99Å; V91-A93 PolarHBondContact O-N 3.37Å; V91-E97 CarbonylContact C-O 3.42Å; V91-E97 WeakPolarHBondContact CA-O 3.45Å
92	C	87.8	Confident	79.2	Confident	11 Å²	11	78.9 Å²	78.9	7%	0.074	46%	0.464	C	S	.	.			trans	-65.2	127.7	178.5	178.3	0	0	0	0	110.5	A94 H95 R96 E97 L99 C111	C92-A94 VanDerWaalsContact C-N 3.25Å; C92-A94 PolarHBondContact O-N 3.25Å; C92-A94 PolarHBondContact SG-N 3.3Å; C92-H95 HydrophobicContact CB-CB 4.19Å; C92-H95 PolarHBondContact SG-N 2.99Å; C92-H95 VanDerWaalsContact SG-N 3.43Å; C92-H95 PolarHBondContact SG-ND1 3.18Å; C92-R96 VanDerWaalsContact O-CA 3.24Å; C92-R96 WeakPolarHBondContact O-CA 3.35Å; C92-R96 PolarHBondContact O-N 3.39Å; C92-E97 WeakPolarHBondContact CB-O 3.35Å; C92-E97 PolarHBondContact N-O 2.88Å; C92-L99 HydrophobicContact CB-CD2 3.76Å; C92-C111 HydrophobicContact CB-CB 3.78Å
93	A	82.5	Confident	80.2	Confident	83 Å²	83	75.8 Å²	75.8	69%	0.686	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.2	177.8	0	0	0	0	0	112.8	V91	V91-A93 PolarHBondContact O-N 3.37Å
94	A	82.1	Confident	81.5	Confident	81 Å²	81	72.7 Å²	72.7	67%	0.669	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-41.6	-178.4	0	0	0	0	0	113.1	C92	C92-A94 VanDerWaalsContact C-N 3.25Å; C92-A94 PolarHBondContact O-N 3.25Å; C92-A94 PolarHBondContact SG-N 3.3Å
95	H	83.8	Confident	83	Confident	65 Å²	65	73.5 Å²	73.5	30%	0.301	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-13.2	-169.1	-60.9	114.9	0	0	0	114.1	C92 E97 C111 I113 C114	C92-H95 HydrophobicContact CB-CB 4.19Å; C92-H95 PolarHBondContact SG-N 2.99Å; C92-H95 VanDerWaalsContact SG-N 3.43Å; C92-H95 PolarHBondContact SG-ND1 3.18Å; H95-E97 HydrophobicContact CB-CB 4.25Å; H95-E97 HydrophobicContact CB-CG 4.18Å; H95-E97 PolarHBondContact O-N 2.88Å; H95-C111 PolarHBondContact ND1-SG 3.32Å; H95-I113 HydrophobicContact CB-CD1 4.1Å; H95-I113 WeakPolarHBondContact NE2-CG2 3.35Å; H95-C114 PolarHBondContact CE1-SG 3.47Å; H95-C114 PolarHBondContact ND1-SG 3.08Å
96	R	81.5	Confident	84.4	Confident	194 Å²	194	72.3 Å²	72.3	73%	0.732	42%	0.421	S	S	*	.			trans	52.6	21	-170.7	-60.8	-164.9	174.6	-180	0.6	114.7	C92	C92-R96 VanDerWaalsContact O-CA 3.24Å; C92-R96 WeakPolarHBondContact O-CA 3.35Å; C92-R96 PolarHBondContact O-N 3.39Å
97	E	88	Confident	85.9	Confident	87 Å²	87	73.3 Å²	73.3	41%	0.407	42%	0.42	S	S	.	.			trans	-90.9	150.6	172.2	-72.9	-67.7	159.6	0	0	110.3	V91 C92 H95 L99 C111 I113	V91-E97 CarbonylContact C-O 3.42Å; V91-E97 WeakPolarHBondContact CA-O 3.45Å; C92-E97 WeakPolarHBondContact CB-O 3.35Å; C92-E97 PolarHBondContact N-O 2.88Å; H95-E97 HydrophobicContact CB-CB 4.25Å; H95-E97 HydrophobicContact CB-CG 4.18Å; H95-E97 PolarHBondContact O-N 2.88Å; E97-L99 PolarHBondContact O-N 3.26Å; E97-C111 HydrophobicContact CB-CB 3.57Å; E97-I113 HydrophobicContact CG-CD1 4.06Å; E97-I113 HydrophobicContact CG-CG1 4.47Å
98	P	89.9	Confident	87.1	Confident	63 Å²	63	71.8 Å²	71.8	41%	0.409	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-61.3	138	176.7	26.6	-32.9	0	0	0	111.2	G90 T100 C111	G90-P98 WeakPolarHBondContact O-CA 3.49Å; P98-T100 HydrophobicContact CB-CG2 4.24Å; P98-T100 HydrophobicContact CG-CG2 4.32Å; P98-T100 PolarHBondContact O-N 3.49Å; P98-C111 WeakPolarHBondContact O-CB 3.35Å
99	L	92.5	Very high	88.1	Confident	34 Å²	34	71.8 Å²	71.8	18%	0.178	41%	0.406	C	S	.	.			trans	-75.2	113.8	173.4	-62.4	173.1	0	0	0	108.2	G90 C92 E97 L109 L110 C111	G90-L99 PolarHBondContact O-N 2.67Å; C92-L99 HydrophobicContact CB-CD2 3.76Å; E97-L99 PolarHBondContact O-N 3.26Å; L99-L109 HydrophobicContact CB-CB 4.17Å; L99-L109 HydrophobicContact CD1-CB 3.89Å; L99-L109 HydrophobicContact CD1-CD1 4.13Å; L99-L109 HydrophobicContact CD2-CB 4.25Å; L99-L109 WeakPolarHBondContact CD2-O 3.47Å; L99-L109 HydrophobicContact CG-CB 4.32Å; L99-L110 CarbonylContact C-O 3.59Å; L99-L110 WeakPolarHBondContact CA-O 3.26Å; L99-C111 HydrophobicContact CD2-CB 4.45Å
100	T	92.3	Very high	88.7	Confident	60 Å²	60	62.3 Å²	62.3	37%	0.368	36%	0.362	S	S	.	.			trans	-126.7	-14.6	-168.9	47.1	0	0	0	0	113.5	P98 L110 L127	P98-T100 HydrophobicContact CB-CG2 4.24Å; P98-T100 HydrophobicContact CG-CG2 4.32Å; P98-T100 PolarHBondContact O-N 3.49Å; T100-L110 PolarHBondContact N-O 2.9Å; T100-L127 WeakPolarHBondContact O-CB 3.45Å; T100-L127 PolarHBondContact O-N 2.58Å
101	T	93.1	Very high	89.1	Confident	16 Å²	16	60.1 Å²	60.1	10%	0.098	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	159.8	178.7	53.1	0	0	0	0	111.5	L110 E115 V124 R125	T101-L110 PolarHBondContact N-O 3.3Å; T101-L110 VanDerWaalsContact N-O 3.17Å; T101-L110 PolarHBondContact O-N 2.9Å; T101-E115 WeakPolarHBondContact CB-OE2 3.25Å; T101-E115 WeakPolarHBondContact CG2-OE2 3.48Å; T101-E115 PolarHBondContact OG1-OE2 3.44Å; T101-V124 HydrophobicContact CG2-CG1 4.18Å; T101-R125 CarbonylContact C-O 3.56Å; T101-R125 WeakPolarHBondContact CA-O 3.5Å
102	F	93.8	Very high	89.2	Confident	54 Å²	54	60 Å²	60	24%	0.237	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.2	179.7	172.2	-99.2	0	0	0	110.1	L107 S108 L109 V124 R125 A130	F102-L107 HydrophobicContact CZ-CB 4.4Å; F102-L107 HydrophobicContact CZ-CD2 3.82Å; F102-S108 WeakPolarHBondContact CA-O 3.46Å; F102-S108 WeakPolarHBondContact CD2-O 3.06Å; F102-L109 HydrophobicContact CD2-CD2 4.2Å; F102-V124 WeakPolarHBondContact O-CA 3.34Å; F102-R125 PolarHBondContact N-O 3.32Å; F102-R125 PolarHBondContact O-N 2.82Å; F102-A130 HydrophobicContact CB-CB 3.72Å; F102-A130 HydrophobicContact CD1-CB 3.73Å; F102-A130 HydrophobicContact CG-CB 3.95Å
103	C	92.7	Very high	89.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.3	174.6	-173	0	0	0	0	110.4	D105 D106 L107 S108 L110 H122	C103-D105 VanDerWaalsContact C-N 3.32Å; C103-D105 PolarHBondContact O-N 3.33Å; C103-D106 HydrophobicContact CB-CB 4.44Å; C103-D106 PolarHBondContact SG-OD2 2.91Å; C103-L107 VanDerWaalsContact O-CA 3.31Å; C103-L107 WeakPolarHBondContact O-CA 3.31Å; C103-L107 PolarHBondContact O-N 2.99Å; C103-S108 PolarHBondContact N-O 3.45Å; C103-S108 PolarHBondContact O-N 3.38Å; C103-L110 HydrophobicContact CB-CD1 3.93Å; C103-L110 HydrophobicContact CB-CG 4.25Å; C103-H122 WeakPolarHBondContact SG-CB 3.45Å; C103-H122 PolarHBondContact SG-ND1 2.53Å
104	G	88.2	Confident	89.7	Confident	33 Å²	33	59.3 Å²	59.3	34%	0.34	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.3	177.6	0	0	0	0	0	114.3	R123	G104-R123 PolarHBondContact N-O 2.97Å
105	D	89.5	Confident	90.1	Very high	96 Å²	96	58.6 Å²	58.6	51%	0.513	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-45.1	-176.1	-56.2	-38.3	0	0	0	111.9	C103 H122 R123	C103-D105 VanDerWaalsContact C-N 3.32Å; C103-D105 PolarHBondContact O-N 3.33Å; D105-H122 HydrophobicContact CB-CB 4.36Å; D105-H122 WeakPolarHBondContact OD2-CA 3.46Å; D105-H122 WeakPolarHBondContact OD2-CB 3.34Å; D105-H122 IonicContact OD2-CD2 3.65Å; D105-H122 IonicContact OD2-CG 2.76Å; D105-R123 PolarHBondContact OD2-N 2.96Å
106	D	89.7	Confident	90.3	Very high	81 Å²	81	63.7 Å²	63.7	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.6	-179.4	-56.9	-50.2	0	0	0	114.4	C103 S108 H119 H122	C103-D106 HydrophobicContact CB-CB 4.44Å; C103-D106 PolarHBondContact SG-OD2 2.91Å; D106-S108 PolarHBondContact O-N 2.77Å; D106-H119 IonicContact OD2-CE1 3.86Å; D106-H119 PolarHBondContact OD2-CE1 3.01Å; D106-H119 IonicContact OD2-ND1 3.58Å; D106-H119 PolarHBondContact OD2-ND1 3.41Å; D106-H122 IonicContact OD1-CE1 2.69Å; D106-H122 IonicContact OD1-ND1 3.78Å; D106-H122 IonicContact OD2-CE1 2.92Å; D106-H122 PolarHBondContact OD2-CE1 3.29Å; D106-H122 IonicContact OD2-ND1 2.75Å; D106-H122 PolarHBondContact OD2-ND1 3.01Å
107	L	89.9	Confident	90.5	Very high	136 Å²	136	57.4 Å²	57.4	71%	0.712	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.9	-175	-56.1	176.4	0	0	0	113.6	F102 C103	F102-L107 HydrophobicContact CZ-CB 4.4Å; F102-L107 HydrophobicContact CZ-CD2 3.82Å; C103-L107 VanDerWaalsContact O-CA 3.31Å; C103-L107 WeakPolarHBondContact O-CA 3.31Å; C103-L107 PolarHBondContact O-N 2.99Å
108	S	89.8	Confident	90.3	Very high	36 Å²	36	60.2 Å²	60.2	25%	0.252	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.9	-172.6	65.3	0	0	0	0	112.8	F102 C103 D106	F102-S108 WeakPolarHBondContact CA-O 3.46Å; F102-S108 WeakPolarHBondContact CD2-O 3.06Å; C103-S108 PolarHBondContact N-O 3.45Å; C103-S108 PolarHBondContact O-N 3.38Å; D106-S108 PolarHBondContact O-N 2.77Å
109	L	92	Very high	90.2	Very high	89 Å²	89	58.3 Å²	58.3	47%	0.466	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.8	173.9	-65.2	177.7	0	0	0	109.7	L99 F102 L127	L99-L109 HydrophobicContact CB-CB 4.17Å; L99-L109 HydrophobicContact CD1-CB 3.89Å; L99-L109 HydrophobicContact CD1-CD1 4.13Å; L99-L109 HydrophobicContact CD2-CB 4.25Å; L99-L109 WeakPolarHBondContact CD2-O 3.47Å; L99-L109 HydrophobicContact CG-CB 4.32Å; F102-L109 HydrophobicContact CD2-CD2 4.2Å; L109-L127 HydrophobicContact CD2-CD1 3.46Å; L109-L127 VanDerWaalsContact CD2-CD1 3.46Å
110	L	92.3	Very high	89.8	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.016	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144	-173.4	-53	-175.5	0	0	0	111.4	L99 T100 T101 C103 C114 E115 H119 V124	L99-L110 CarbonylContact C-O 3.59Å; L99-L110 WeakPolarHBondContact CA-O 3.26Å; T100-L110 PolarHBondContact N-O 2.9Å; T101-L110 PolarHBondContact N-O 3.3Å; T101-L110 VanDerWaalsContact N-O 3.17Å; T101-L110 PolarHBondContact O-N 2.9Å; C103-L110 HydrophobicContact CB-CD1 3.93Å; C103-L110 HydrophobicContact CB-CG 4.25Å; L110-C114 HydrophobicContact CB-CB 4.17Å; L110-C114 HydrophobicContact CD2-CB 4.02Å; L110-E115 HydrophobicContact CD1-CB 4.3Å; L110-H119 HydrophobicContact CD1-CB 3.58Å; L110-H119 WeakPolarHBondContact CD2-CD2 3.1Å; L110-H119 VanDerWaalsContact CD2-NE2 3.32Å; L110-H119 WeakPolarHBondContact CD2-NE2 3.47Å; L110-V124 HydrophobicContact CD1-CG1 4.41Å; L110-V124 HydrophobicContact CD1-CG2 4.08Å
111	C	92.4	Very high	89.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.343	C	S	.	.			trans	-89.8	168.6	159.4	75.6	0	0	0	0	110.2	C92 H95 E97 P98 L99 I113 C114 E115	C92-C111 HydrophobicContact CB-CB 3.78Å; H95-C111 PolarHBondContact ND1-SG 3.32Å; E97-C111 HydrophobicContact CB-CB 3.57Å; P98-C111 WeakPolarHBondContact O-CB 3.35Å; L99-C111 HydrophobicContact CD2-CB 4.45Å; C111-I113 PolarHBondContact O-N 2.84Å; C111-C114 PolarHBondContact O-N 3.42Å; C111-C114 VanDerWaalsContact O-N 3.15Å; C111-E115 PolarHBondContact O-N 3.47Å; C111-E115 VanDerWaalsContact O-N 3.16Å
112	P	90	Very high	89.5	Confident	39 Å²	39	69.4 Å²	69.4	25%	0.253	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-20.2	-177.5	-25.9	35.6	0	0	0	114.8	R116	P112-R116 PolarHBondContact O-NE 3.08Å; P112-R116 PolarHBondContact O-NH1 2.97Å; P112-R116 VanDerWaalsContact O-NH1 3.16Å; P112-R116 PolarHBondContact O-NH2 3.29Å
113	I	89.2	Confident	89.3	Confident	63 Å²	63	75.3 Å²	75.3	32%	0.323	37%	0.373	S	S	.	.	H	α-helix	trans	-81.7	-48.9	178.3	-52.3	-177.9	0	0	0	110.5	H95 E97 C111 E115 R116 S117	H95-I113 HydrophobicContact CB-CD1 4.1Å; H95-I113 WeakPolarHBondContact NE2-CG2 3.35Å; E97-I113 HydrophobicContact CG-CD1 4.06Å; E97-I113 HydrophobicContact CG-CG1 4.47Å; C111-I113 PolarHBondContact O-N 2.84Å; I113-E115 VanDerWaalsContact C-N 3.27Å; I113-E115 PolarHBondContact O-N 3.31Å; I113-R116 PolarHBondContact O-N 3.15Å; I113-R116 VanDerWaalsContact O-N 3.15Å; I113-S117 PolarHBondContact O-N 3.23Å; I113-S117 PolarHBondContact O-OG 3.42Å; I113-S117 VanDerWaalsContact O-OG 3.09Å
114	C	90.7	Very high	89.3	Confident	16 Å²	16	77.1 Å²	77.1	11%	0.108	38%	0.384	C	S	.	.	H	α-helix	trans	-55.8	-42.2	175.5	-69.9	0	0	0	0	112	H95 L110 C111 R116 S117 E118 H119	H95-C114 PolarHBondContact CE1-SG 3.47Å; H95-C114 PolarHBondContact ND1-SG 3.08Å; L110-C114 HydrophobicContact CB-CB 4.17Å; L110-C114 HydrophobicContact CD2-CB 4.02Å; C111-C114 PolarHBondContact O-N 3.42Å; C111-C114 VanDerWaalsContact O-N 3.15Å; C114-R116 VanDerWaalsContact C-N 3.33Å; C114-R116 PolarHBondContact O-N 2.92Å; C114-S117 PolarHBondContact O-N 3.49Å; C114-S117 PolarHBondContact O-OG 2.92Å; C114-E118 PolarHBondContact O-N 2.97Å; C114-E118 VanDerWaalsContact O-N 3.08Å; C114-H119 PolarHBondContact O-CD2 3.42Å; C114-H119 PolarHBondContact O-N 3.27Å
115	E	90.3	Very high	89.4	Confident	66 Å²	66	78.1 Å²	78.1	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-58.2	-42.4	178	-178.9	176.1	163.8	0	0	112.5	T101 L110 C111 I113 H119 W120 V124	T101-E115 WeakPolarHBondContact CB-OE2 3.25Å; T101-E115 WeakPolarHBondContact CG2-OE2 3.48Å; T101-E115 PolarHBondContact OG1-OE2 3.44Å; L110-E115 HydrophobicContact CD1-CB 4.3Å; C111-E115 PolarHBondContact O-N 3.47Å; C111-E115 VanDerWaalsContact O-N 3.16Å; I113-E115 VanDerWaalsContact C-N 3.27Å; I113-E115 PolarHBondContact O-N 3.31Å; E115-H119 CarbonylContact O-C 3.56Å; E115-W120 WeakPolarHBondContact O-CA 3.37Å; E115-W120 PolarHBondContact O-N 3.36Å; E115-V124 HydrophobicContact CG-CG1 4.08Å; E115-V124 HydrophobicContact CG-CG2 4.41Å
116	R	88	Confident	89.6	Confident	172 Å²	172	76.9 Å²	76.9	65%	0.649	37%	0.374	S	S	*	.	H	α-helix	trans	-80.2	-26.2	-179.4	-71.4	-171.8	-67.1	-93.1	1.5	114	P112 I113 C114	P112-R116 PolarHBondContact O-NE 3.08Å; P112-R116 PolarHBondContact O-NH1 2.97Å; P112-R116 VanDerWaalsContact O-NH1 3.16Å; P112-R116 PolarHBondContact O-NH2 3.29Å; I113-R116 PolarHBondContact O-N 3.15Å; I113-R116 VanDerWaalsContact O-N 3.15Å; C114-R116 VanDerWaalsContact C-N 3.33Å; C114-R116 PolarHBondContact O-N 2.92Å
117	S	86.6	Confident	89.7	Confident	62 Å²	62	76.1 Å²	76.1	43%	0.434	37%	0.37	S	S	.	.	H	α-helix	trans	-91.1	-62.2	-174.3	60.9	0	0	0	0	112.5	I113 C114	I113-S117 PolarHBondContact O-N 3.23Å; I113-S117 PolarHBondContact O-OG 3.42Å; I113-S117 VanDerWaalsContact O-OG 3.09Å; C114-S117 PolarHBondContact O-N 3.49Å; C114-S117 PolarHBondContact O-OG 2.92Å
118	E	83.5	Confident	89.7	Confident	146 Å²	146	75.6 Å²	75.6	68%	0.682	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-24.7	-166.9	-66.8	-176.8	168.3	0	0	112.6	C114	C114-E118 PolarHBondContact O-N 2.97Å; C114-E118 VanDerWaalsContact O-N 3.08Å
119	H	88.1	Confident	89.9	Confident	22 Å²	22	78.2 Å²	78.2	10%	0.102	37%	0.372	C	S	.	.			trans	-112	16.9	-172.9	-59.2	-86.2	0	0	0	114	D106 L110 C114 E115 T121 H122 V124	D106-H119 IonicContact OD2-CE1 3.86Å; D106-H119 PolarHBondContact OD2-CE1 3.01Å; D106-H119 IonicContact OD2-ND1 3.58Å; D106-H119 PolarHBondContact OD2-ND1 3.41Å; L110-H119 HydrophobicContact CD1-CB 3.58Å; L110-H119 WeakPolarHBondContact CD2-CD2 3.1Å; L110-H119 VanDerWaalsContact CD2-NE2 3.32Å; L110-H119 WeakPolarHBondContact CD2-NE2 3.47Å; C114-H119 PolarHBondContact O-CD2 3.42Å; C114-H119 PolarHBondContact O-N 3.27Å; E115-H119 CarbonylContact O-C 3.56Å; H119-T121 PolarHBondContact O-N 3.49Å; H119-H122 HydrophobicContact CB-CB 4.36Å; H119-H122 AromaticContact ND1-ND1 3.53Å; H119-H122 WeakPolarHBondContact O-CB 3.47Å; H119-H122 PolarHBondContact O-N 3.42Å; H119-V124 HydrophobicContact CB-CG2 4.34Å
120	W	83	Confident	89.9	Confident	192 Å²	192	74.5 Å²	74.5	73%	0.727	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.6	-172.2	73	-88.9	0	0	0	114.3	E115	E115-W120 WeakPolarHBondContact O-CA 3.37Å; E115-W120 PolarHBondContact O-N 3.36Å
121	T	88.4	Confident	89.9	Confident	90 Å²	90	76.5 Å²	76.5	55%	0.552	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.7	174.4	43.1	0	0	0	0	114.3	H119	H119-T121 PolarHBondContact O-N 3.49Å
122	H	92.4	Very high	90	Very high	61 Å²	61	80.5 Å²	80.5	28%	0.282	39%	0.392	S	S	.	.	S	Bend	trans	-87.2	161.4	-172.2	-68.9	-173.2	0	0	0	111.7	C103 D105 D106 H119 V124	C103-H122 WeakPolarHBondContact SG-CB 3.45Å; C103-H122 PolarHBondContact SG-ND1 2.53Å; D105-H122 HydrophobicContact CB-CB 4.36Å; D105-H122 WeakPolarHBondContact OD2-CA 3.46Å; D105-H122 WeakPolarHBondContact OD2-CB 3.34Å; D105-H122 IonicContact OD2-CD2 3.65Å; D105-H122 IonicContact OD2-CG 2.76Å; D106-H122 IonicContact OD1-CE1 2.69Å; D106-H122 IonicContact OD1-ND1 3.78Å; D106-H122 IonicContact OD2-CE1 2.92Å; D106-H122 PolarHBondContact OD2-CE1 3.29Å; D106-H122 IonicContact OD2-ND1 2.75Å; D106-H122 PolarHBondContact OD2-ND1 3.01Å; H119-H122 HydrophobicContact CB-CB 4.36Å; H119-H122 AromaticContact ND1-ND1 3.53Å; H119-H122 WeakPolarHBondContact O-CB 3.47Å; H119-H122 PolarHBondContact O-N 3.42Å; H122-V124 HydrophobicContact CB-CG2 4.48Å; H122-V124 PolarHBondContact O-N 3.32Å
123	R	89.3	Confident	90	Very high	178 Å²	178	82.1 Å²	82.1	67%	0.672	40%	0.399	S	S	*	.			trans	-74.3	90.5	173.6	-169.1	178.7	-173.7	-176	0.9	110.3	G104 D105	G104-R123 PolarHBondContact N-O 2.97Å; D105-R123 PolarHBondContact OD2-N 2.96Å
124	V	92	Very high	90.1	Very high	38 Å²	38	83.7 Å²	83.7	23%	0.23	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135	177.5	-175.6	0	0	0	0	110.5	T101 F102 L110 E115 H119 H122	T101-V124 HydrophobicContact CG2-CG1 4.18Å; F102-V124 WeakPolarHBondContact O-CA 3.34Å; L110-V124 HydrophobicContact CD1-CG1 4.41Å; L110-V124 HydrophobicContact CD1-CG2 4.08Å; E115-V124 HydrophobicContact CG-CG1 4.08Å; E115-V124 HydrophobicContact CG-CG2 4.41Å; H119-V124 HydrophobicContact CB-CG2 4.34Å; H122-V124 HydrophobicContact CB-CG2 4.48Å; H122-V124 PolarHBondContact O-N 3.32Å
125	R	91.4	Very high	90.3	Very high	55 Å²	55	88.7 Å²	88.7	21%	0.208	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.4	174.1	-67.3	174.6	76.3	-170.1	2.4	110.1	T101 F102 L127 E129 A130 D133	T101-R125 CarbonylContact C-O 3.56Å; T101-R125 WeakPolarHBondContact CA-O 3.5Å; F102-R125 PolarHBondContact N-O 3.32Å; F102-R125 PolarHBondContact O-N 2.82Å; R125-L127 PolarHBondContact O-N 3.28Å; R125-E129 IonicContact CZ-OE1 2.68Å; R125-E129 IonicContact NE-OE1 3.62Å; R125-E129 PolarHBondContact NE-OE1 3.18Å; R125-E129 IonicContact NH2-OE1 3.71Å; R125-E129 PolarHBondContact NH2-OE1 2.95Å; R125-A130 HydrophobicContact CB-CB 4.29Å; R125-D133 IonicContact CZ-OD2 2.8Å; R125-D133 IonicContact NH1-OD2 2.95Å; R125-D133 PolarHBondContact NH1-OD2 3.44Å
126	P	93.3	Very high	90.6	Very high	69 Å²	69	86.7 Å²	86.7	45%	0.448	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	140.5	168	-24.2	33.9	0	0	0	111.1	Q128 E129 A130	P126-Q128 VanDerWaalsContact C-N 3.27Å; P126-Q128 PolarHBondContact O-N 3.22Å; P126-E129 HydrophobicContact CB-CB 4.19Å; P126-E129 WeakPolarHBondContact CD-OE2 3.41Å; P126-E129 HydrophobicContact CG-CB 4.45Å; P126-E129 PolarHBondContact O-N 2.95Å; P126-E129 VanDerWaalsContact O-N 3.08Å; P126-A130 PolarHBondContact O-N 3.38Å
127	L	91.1	Very high	91	Very high	66 Å²	66	86.2 Å²	86.2	35%	0.346	42%	0.423	S	S	.	.	H	α-helix	trans	-51.3	-47.6	-177.8	176.5	64.5	0	0	0	112	T100 L109 R125 E129 A130 A131	T100-L127 WeakPolarHBondContact O-CB 3.45Å; T100-L127 PolarHBondContact O-N 2.58Å; L109-L127 HydrophobicContact CD2-CD1 3.46Å; L109-L127 VanDerWaalsContact CD2-CD1 3.46Å; R125-L127 PolarHBondContact O-N 3.28Å; L127-E129 PolarHBondContact O-N 3.38Å; L127-A130 PolarHBondContact O-N 3.04Å; L127-A131 VanDerWaalsContact O-CB 3.25Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.45Å
128	Q	90.7	Very high	91.4	Very high	124 Å²	124	88 Å²	88	58%	0.579	43%	0.427	S	S	*	.	H	α-helix	trans	-63.9	-41.7	-178.5	-170	59.9	43.7	0	0	111.7	P126 A131 D132	P126-Q128 VanDerWaalsContact C-N 3.27Å; P126-Q128 PolarHBondContact O-N 3.22Å; Q128-A131 PolarHBondContact O-N 3.06Å; Q128-D132 PolarHBondContact NE2-OD1 2.79Å; Q128-D132 PolarHBondContact NE2-OD2 3.43Å; Q128-D132 WeakPolarHBondContact O-CB 3.36Å; Q128-D132 PolarHBondContact O-N 2.8Å
129	E	93	Very high	92.1	Very high	91 Å²	91	86 Å²	86	43%	0.425	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-41	179.9	-162.8	-160.3	132.5	0	0	111.9	R125 P126 L127 D133	R125-E129 IonicContact CZ-OE1 2.68Å; R125-E129 IonicContact NE-OE1 3.62Å; R125-E129 PolarHBondContact NE-OE1 3.18Å; R125-E129 IonicContact NH2-OE1 3.71Å; R125-E129 PolarHBondContact NH2-OE1 2.95Å; P126-E129 HydrophobicContact CB-CB 4.19Å; P126-E129 WeakPolarHBondContact CD-OE2 3.41Å; P126-E129 HydrophobicContact CG-CB 4.45Å; P126-E129 PolarHBondContact O-N 2.95Å; P126-E129 VanDerWaalsContact O-N 3.08Å; L127-E129 PolarHBondContact O-N 3.38Å; E129-D133 WeakPolarHBondContact O-CB 3.48Å; E129-D133 PolarHBondContact O-N 2.73Å
130	A	92	Very high	92.5	Very high	12 Å²	12	92.8 Å²	92.8	10%	0.099	45%	0.447	C	S	.	.	H	α-helix	trans	-66.2	-40.2	174.4	0	0	0	0	0	111.8	F102 R125 P126 L127 L134	F102-A130 HydrophobicContact CB-CB 3.72Å; F102-A130 HydrophobicContact CD1-CB 3.73Å; F102-A130 HydrophobicContact CG-CB 3.95Å; R125-A130 HydrophobicContact CB-CB 4.29Å; P126-A130 PolarHBondContact O-N 3.38Å; L127-A130 PolarHBondContact O-N 3.04Å; A130-L134 WeakPolarHBondContact O-CB 3.06Å; A130-L134 PolarHBondContact O-N 3.37Å
131	A	92.1	Very high	93.2	Very high	44 Å²	44	86.9 Å²	86.9	36%	0.364	44%	0.435	S	S	.	.	H	α-helix	trans	-65.2	-43.7	175.9	0	0	0	0	0	111.7	L127 Q128 L134 K135	L127-A131 VanDerWaalsContact O-CB 3.25Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.45Å; Q128-A131 PolarHBondContact O-N 3.06Å; A131-L134 PolarHBondContact O-N 3.37Å; A131-K135 WeakPolarHBondContact O-CB 2.99Å; A131-K135 PolarHBondContact O-N 3.39Å
132	D	94.5	Very high	93.7	Very high	84 Å²	84	86.7 Å²	86.7	45%	0.449	43%	0.43	S	S	.	.	H	α-helix	trans	-65.4	-40.5	178.3	-69.6	-24.1	0	0	0	111.5	Q128 K135 G136	Q128-D132 PolarHBondContact NE2-OD1 2.79Å; Q128-D132 PolarHBondContact NE2-OD2 3.43Å; Q128-D132 WeakPolarHBondContact O-CB 3.36Å; Q128-D132 PolarHBondContact O-N 2.8Å; D132-K135 PolarHBondContact O-N 2.9Å; D132-G136 PolarHBondContact O-N 3.07Å
133	D	91.1	Very high	93.9	Very high	73 Å²	73	89.5 Å²	89.5	39%	0.39	44%	0.443	S	S	.	.	H	α-helix	trans	-65.4	-45.6	174.6	-177.6	51.6	0	0	0	112.2	R125 E129 K135 G136 R137	R125-D133 IonicContact CZ-OD2 2.8Å; R125-D133 IonicContact NH1-OD2 2.95Å; R125-D133 PolarHBondContact NH1-OD2 3.44Å; E129-D133 WeakPolarHBondContact O-CB 3.48Å; E129-D133 PolarHBondContact O-N 2.73Å; D133-K135 VanDerWaalsContact C-N 3.35Å; D133-K135 PolarHBondContact O-N 3.37Å; D133-G136 PolarHBondContact O-N 3.18Å; D133-R137 WeakPolarHBondContact O-CG 3.42Å; D133-R137 PolarHBondContact O-N 2.78Å
134	L	91	Very high	94.3	Very high	96 Å²	96	86.2 Å²	86.2	50%	0.503	44%	0.435	S	S	.	.	H	α-helix	trans	-61.4	-44.7	175	-179.1	63.8	0	0	0	111.1	A130 A131 R137 L138	A130-L134 WeakPolarHBondContact O-CB 3.06Å; A130-L134 PolarHBondContact O-N 3.37Å; A131-L134 PolarHBondContact O-N 3.37Å; L134-R137 PolarHBondContact O-N 3.01Å; L134-L138 HydrophobicContact CD1-CG 4.49Å; L134-L138 HydrophobicContact CG-CD1 4.16Å; L134-L138 HydrophobicContact CG-CG 4.5Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 2.62Å
135	K	95.3	Very high	94.6	Very high	121 Å²	121	89.2 Å²	89.2	53%	0.526	45%	0.449	S	S	.	.	H	α-helix	trans	-59.3	-47	176.2	-178.2	178.7	172.6	-174.8	0	111	A131 D132 D133 R137 L138 E139	A131-K135 WeakPolarHBondContact O-CB 2.99Å; A131-K135 PolarHBondContact O-N 3.39Å; D132-K135 PolarHBondContact O-N 2.9Å; D133-K135 VanDerWaalsContact C-N 3.35Å; D133-K135 PolarHBondContact O-N 3.37Å; K135-R137 VanDerWaalsContact C-N 3.31Å; K135-R137 PolarHBondContact O-N 3.19Å; K135-L138 PolarHBondContact O-N 3.11Å; K135-L138 VanDerWaalsContact O-N 3.16Å; K135-E139 WeakPolarHBondContact CE-OE1 3.15Å; K135-E139 HydrophobicContact CG-CG 4.4Å; K135-E139 WeakPolarHBondContact O-CB 3.38Å; K135-E139 WeakPolarHBondContact O-CG 3.31Å; K135-E139 PolarHBondContact O-N 3.15Å
136	G	96.3	Very high	94.9	Very high	24 Å²	24	93.7 Å²	93.7	25%	0.247	47%	0.466	C	S	.	.	H	α-helix	trans	-61.7	-36.3	176.7	0	0	0	0	0	113.2	D132 D133 K140	D132-G136 PolarHBondContact O-N 3.07Å; D133-G136 PolarHBondContact O-N 3.18Å; G136-K140 WeakPolarHBondContact O-CG 3.46Å; G136-K140 PolarHBondContact O-N 3.11Å; G136-K140 VanDerWaalsContact O-N 3.1Å
137	R	95.1	Very high	95.1	Very high	162 Å²	162	96.5 Å²	96.5	61%	0.611	47%	0.471	S	S	*	.	H	α-helix	trans	-66.9	-43.2	172.6	-71.8	173.2	63.4	-172.1	-1.3	112	D133 L134 K135 K140 S141	D133-R137 WeakPolarHBondContact O-CG 3.42Å; D133-R137 PolarHBondContact O-N 2.78Å; L134-R137 PolarHBondContact O-N 3.01Å; K135-R137 VanDerWaalsContact C-N 3.31Å; K135-R137 PolarHBondContact O-N 3.19Å; R137-K140 PolarHBondContact O-N 3.14Å; R137-S141 PolarHBondContact O-N 3.14Å; R137-S141 PolarHBondContact O-OG 2.84Å
138	L	96.5	Very high	95.4	Very high	99 Å²	99	97.9 Å²	97.9	52%	0.518	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-42.3	176.3	-70.5	172.8	0	0	0	111.4	L134 K135 S141 L142	L134-L138 HydrophobicContact CD1-CG 4.49Å; L134-L138 HydrophobicContact CG-CD1 4.16Å; L134-L138 HydrophobicContact CG-CG 4.5Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 2.62Å; K135-L138 PolarHBondContact O-N 3.11Å; K135-L138 VanDerWaalsContact O-N 3.16Å; L138-S141 PolarHBondContact O-N 2.79Å; L138-L142 WeakPolarHBondContact O-CB 3.3Å; L138-L142 VanDerWaalsContact O-CG 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.15Å; L138-L142 PolarHBondContact O-N 3.13Å
139	E	97.5	Very high	95.8	Very high	105 Å²	105	97.2 Å²	97.2	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-60.8	-44.7	176.3	-75.5	173	171.5	0	0	111.8	K135 S141 L142 E143	K135-E139 WeakPolarHBondContact CE-OE1 3.15Å; K135-E139 HydrophobicContact CG-CG 4.4Å; K135-E139 WeakPolarHBondContact O-CB 3.38Å; K135-E139 WeakPolarHBondContact O-CG 3.31Å; K135-E139 PolarHBondContact O-N 3.15Å; E139-S141 PolarHBondContact O-N 2.88Å; E139-L142 PolarHBondContact O-N 3.3Å; E139-E143 PolarHBondContact O-N 2.96Å
140	K	96.9	Very high	96	Very high	164 Å²	164	99.3 Å²	99.3	71%	0.713	48%	0.484	S	S	*	.	H	α-helix	trans	-60.9	-43.1	174.2	-73.5	173.4	-177.4	176.7	0	112.6	G136 R137 E143 H144	G136-K140 WeakPolarHBondContact O-CG 3.46Å; G136-K140 PolarHBondContact O-N 3.11Å; G136-K140 VanDerWaalsContact O-N 3.1Å; R137-K140 PolarHBondContact O-N 3.14Å; K140-E143 PolarHBondContact O-N 3.4Å; K140-H144 PolarHBondContact O-N 3.13Å; K140-H144 VanDerWaalsContact O-N 3.09Å
141	S	97.5	Very high	96.3	Very high	68 Å²	68	101.8 Å²	101.8	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-39.7	176.5	-65.1	0	0	0	0	112.1	R137 L138 E139 H144 L145	R137-S141 PolarHBondContact O-N 3.14Å; R137-S141 PolarHBondContact O-OG 2.84Å; L138-S141 PolarHBondContact O-N 2.79Å; E139-S141 PolarHBondContact O-N 2.88Å; S141-H144 PolarHBondContact O-N 3.3Å; S141-L145 WeakPolarHBondContact O-CB 3.15Å; S141-L145 VanDerWaalsContact O-CG 3.32Å; S141-L145 WeakPolarHBondContact O-CG 3.06Å; S141-L145 PolarHBondContact O-N 2.79Å
142	L	98	Very high	96.6	Very high	87 Å²	87	102.2 Å²	102.2	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-43.1	176	-77.3	172	0	0	0	111.5	L138 E139 L145 R146	L138-L142 WeakPolarHBondContact O-CB 3.3Å; L138-L142 VanDerWaalsContact O-CG 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.15Å; L138-L142 PolarHBondContact O-N 3.13Å; E139-L142 PolarHBondContact O-N 3.3Å; L142-L145 PolarHBondContact O-N 3.33Å; L142-R146 WeakPolarHBondContact O-CB 3.31Å; L142-R146 VanDerWaalsContact O-CG 3.25Å; L142-R146 WeakPolarHBondContact O-CG 3.11Å; L142-R146 PolarHBondContact O-N 2.78Å
143	E	97	Very high	96.8	Very high	120 Å²	120	103.5 Å²	103.5	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-61.8	-45.1	176.1	-173.2	58.5	-154.5	0	0	111.6	E139 K140 R146 K147	E139-E143 PolarHBondContact O-N 2.96Å; K140-E143 PolarHBondContact O-N 3.4Å; E143-R146 PolarHBondContact O-N 3.43Å; E143-K147 PolarHBondContact O-N 3.3Å; E143-K147 VanDerWaalsContact O-N 3.09Å
144	H	97.5	Very high	97.1	Very high	108 Å²	108	104.4 Å²	104.4	50%	0.5	51%	0.509	S	S	.	.	H	α-helix	trans	-60.1	-47.8	175.6	176.6	57.6	0	0	0	112.6	K140 S141 R146 K147 Q148	K140-H144 PolarHBondContact O-N 3.13Å; K140-H144 VanDerWaalsContact O-N 3.09Å; S141-H144 PolarHBondContact O-N 3.3Å; H144-R146 PolarHBondContact O-N 2.99Å; H144-K147 PolarHBondContact O-N 3.03Å; H144-Q148 PolarHBondContact NE2-NE2 2.9Å; H144-Q148 PolarHBondContact NE2-OE1 2.92Å; H144-Q148 WeakPolarHBondContact O-CG 3.29Å; H144-Q148 PolarHBondContact O-N 2.79Å
145	L	98.2	Very high	97.5	Very high	101 Å²	101	106 Å²	106	53%	0.529	51%	0.511	S	S	.	.	H	α-helix	trans	-66.5	-35.5	-179.6	-71.4	174	0	0	0	112.4	S141 L142 Q148 M149	S141-L145 WeakPolarHBondContact O-CB 3.15Å; S141-L145 VanDerWaalsContact O-CG 3.32Å; S141-L145 WeakPolarHBondContact O-CG 3.06Å; S141-L145 PolarHBondContact O-N 2.79Å; L142-L145 PolarHBondContact O-N 3.33Å; L145-Q148 PolarHBondContact O-N 2.79Å; L145-M149 WeakPolarHBondContact O-CB 3.46Å; L145-M149 PolarHBondContact O-N 2.82Å
146	R	98.1	Very high	97.6	Very high	149 Å²	149	105.8 Å²	105.8	56%	0.562	51%	0.513	S	S	*	.	H	α-helix	trans	-62.3	-47.4	173.7	-77.6	171.3	-179.2	169.3	-0.3	111.4	L142 E143 H144 Q148 M149 E150	L142-R146 WeakPolarHBondContact O-CB 3.31Å; L142-R146 VanDerWaalsContact O-CG 3.25Å; L142-R146 WeakPolarHBondContact O-CG 3.11Å; L142-R146 PolarHBondContact O-N 2.78Å; E143-R146 PolarHBondContact O-N 3.43Å; H144-R146 PolarHBondContact O-N 2.99Å; R146-Q148 PolarHBondContact O-N 2.72Å; R146-M149 WeakPolarHBondContact O-CB 3.5Å; R146-M149 PolarHBondContact O-N 2.83Å; R146-M149 VanDerWaalsContact O-N 3.17Å; R146-E150 PolarHBondContact O-N 2.91Å
147	K	97.8	Very high	97.7	Very high	128 Å²	128	107.1 Å²	107.1	56%	0.557	52%	0.521	S	S	*	.	H	α-helix	trans	-60	-44.3	175.3	-175.2	178.1	178.1	179.9	0	112.1	E143 H144 M149 E150 D151	E143-K147 PolarHBondContact O-N 3.3Å; E143-K147 VanDerWaalsContact O-N 3.09Å; H144-K147 PolarHBondContact O-N 3.03Å; K147-M149 VanDerWaalsContact C-N 3.27Å; K147-M149 PolarHBondContact O-N 2.97Å; K147-E150 PolarHBondContact O-N 3.3Å; K147-D151 PolarHBondContact O-N 3.21Å
148	Q	98.2	Very high	97.9	Very high	96 Å²	96	103.7 Å²	103.7	45%	0.449	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-35.7	176.2	-74.4	-168.8	-43.1	0	0	112.8	H144 L145 R146 A152	H144-Q148 PolarHBondContact NE2-NE2 2.9Å; H144-Q148 PolarHBondContact NE2-OE1 2.92Å; H144-Q148 WeakPolarHBondContact O-CG 3.29Å; H144-Q148 PolarHBondContact O-N 2.79Å; L145-Q148 PolarHBondContact O-N 2.79Å; R146-Q148 PolarHBondContact O-N 2.72Å; Q148-A152 VanDerWaalsContact O-CB 3.29Å; Q148-A152 WeakPolarHBondContact O-CB 3.01Å; Q148-A152 PolarHBondContact O-N 3.42Å
149	M	98.2	Very high	97.9	Very high	109 Å²	109	101.5 Å²	101.5	54%	0.537	51%	0.508	S	S	.	.	H	α-helix	trans	-65.2	-44.5	175.4	-173.1	70.1	-174.6	0	0	111.4	L145 R146 K147 A152 M153	L145-M149 WeakPolarHBondContact O-CB 3.46Å; L145-M149 PolarHBondContact O-N 2.82Å; R146-M149 WeakPolarHBondContact O-CB 3.5Å; R146-M149 PolarHBondContact O-N 2.83Å; R146-M149 VanDerWaalsContact O-N 3.17Å; K147-M149 VanDerWaalsContact C-N 3.27Å; K147-M149 PolarHBondContact O-N 2.97Å; M149-A152 PolarHBondContact O-N 3.08Å; M149-M153 HydrophobicContact CE-CE 3.26Å; M149-M153 HydrophobicContact CE-CG 4.37Å; M149-M153 HydrophobicContact CG-CE 3.94Å; M149-M153 WeakPolarHBondContact O-CG 3.49Å; M149-M153 PolarHBondContact O-N 3.29Å; M149-M153 HydrophobicContact SD-CE 4.4Å
150	E	98	Very high	98	Very high	135 Å²	135	102 Å²	102	63%	0.631	51%	0.511	S	S	*	.	H	α-helix	trans	-60.7	-46.4	175.8	-70.1	175.3	-173.4	0	0	111.6	R146 K147 A152 M153 L154	R146-E150 PolarHBondContact O-N 2.91Å; K147-E150 PolarHBondContact O-N 3.3Å; E150-A152 PolarHBondContact O-N 3.24Å; E150-M153 PolarHBondContact O-N 3.38Å; E150-L154 PolarHBondContact O-N 2.94Å
151	D	98.2	Very high	98	Very high	65 Å²	65	101 Å²	101	35%	0.348	51%	0.509	S	S	.	.	H	α-helix	trans	-60.8	-43.6	176.3	-70.3	-24.9	0	0	0	111.3	K147 M153 L154 F155	K147-D151 PolarHBondContact O-N 3.21Å; D151-M153 PolarHBondContact O-N 3.3Å; D151-L154 PolarHBondContact O-N 3.45Å; D151-F155 HydrophobicContact CB-CE2 4.09Å; D151-F155 WeakPolarHBondContact O-CD2 3.16Å; D151-F155 VanDerWaalsContact O-CG 3.31Å; D151-F155 WeakPolarHBondContact O-CG 3.47Å; D151-F155 PolarHBondContact O-N 3.4Å
152	A	98.3	Very high	98.1	Very high	53 Å²	53	102.3 Å²	102.3	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-41	178.3	0	0	0	0	0	112.5	Q148 M149 E150 F155 Q156	Q148-A152 VanDerWaalsContact O-CB 3.29Å; Q148-A152 WeakPolarHBondContact O-CB 3.01Å; Q148-A152 PolarHBondContact O-N 3.42Å; M149-A152 PolarHBondContact O-N 3.08Å; E150-A152 PolarHBondContact O-N 3.24Å; A152-F155 PolarHBondContact O-N 2.95Å; A152-Q156 WeakPolarHBondContact O-CB 3.12Å; A152-Q156 PolarHBondContact O-N 3.46Å
153	M	98.3	Very high	98.1	Very high	110 Å²	110	101.9 Å²	101.9	54%	0.542	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-41.7	174.4	-72.1	-173.2	-173.7	0	0	111.6	M149 E150 D151 Q156 A157	M149-M153 HydrophobicContact CE-CE 3.26Å; M149-M153 HydrophobicContact CE-CG 4.37Å; M149-M153 HydrophobicContact CG-CE 3.94Å; M149-M153 WeakPolarHBondContact O-CG 3.49Å; M149-M153 PolarHBondContact O-N 3.29Å; M149-M153 HydrophobicContact SD-CE 4.4Å; E150-M153 PolarHBondContact O-N 3.38Å; D151-M153 PolarHBondContact O-N 3.3Å; M153-Q156 PolarHBondContact O-N 3.26Å; M153-A157 PolarHBondContact O-N 3.41Å
154	L	98.1	Very high	98.2	Very high	93 Å²	93	98.1 Å²	98.1	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-47.2	176.2	178.7	63.6	0	0	0	111.4	E150 D151 Q156 A157 Q158	E150-L154 PolarHBondContact O-N 2.94Å; D151-L154 PolarHBondContact O-N 3.45Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-Q156 PolarHBondContact O-N 2.96Å; L154-A157 PolarHBondContact O-N 2.78Å; L154-Q158 WeakPolarHBondContact O-CG 3.25Å; L154-Q158 PolarHBondContact O-N 2.85Å
155	F	98.2	Very high	98.2	Very high	128 Å²	128	97.8 Å²	97.8	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-36.2	177.9	-64.8	-42	0	0	0	112.7	D151 A152 Q158 A159	D151-F155 HydrophobicContact CB-CE2 4.09Å; D151-F155 WeakPolarHBondContact O-CD2 3.16Å; D151-F155 VanDerWaalsContact O-CG 3.31Å; D151-F155 WeakPolarHBondContact O-CG 3.47Å; D151-F155 PolarHBondContact O-N 3.4Å; A152-F155 PolarHBondContact O-N 2.95Å; F155-Q158 PolarHBondContact O-N 2.79Å; F155-A159 WeakPolarHBondContact O-CB 3.2Å; F155-A159 PolarHBondContact O-N 2.86Å
156	Q	98.2	Very high	98.2	Very high	118 Å²	118	101 Å²	101	55%	0.551	51%	0.513	S	S	*	.	H	α-helix	trans	-62	-48.4	174.1	-178	-178.8	-15.6	0	0	111.1	A152 M153 L154 Q158 A159 E160	A152-Q156 WeakPolarHBondContact O-CB 3.12Å; A152-Q156 PolarHBondContact O-N 3.46Å; M153-Q156 PolarHBondContact O-N 3.26Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-Q156 PolarHBondContact O-N 2.96Å; Q156-Q158 VanDerWaalsContact C-N 3.32Å; Q156-Q158 PolarHBondContact O-N 2.82Å; Q156-A159 PolarHBondContact O-N 3.15Å; Q156-E160 PolarHBondContact NE2-OE1 2.95Å; Q156-E160 WeakPolarHBondContact O-CG 3.38Å; Q156-E160 PolarHBondContact O-N 2.92Å
157	A	98.1	Very high	98.2	Very high	52 Å²	52	99.9 Å²	99.9	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-60.4	-41.7	178.6	0	0	0	0	0	112	M153 L154 E160 E161	M153-A157 PolarHBondContact O-N 3.41Å; L154-A157 PolarHBondContact O-N 2.78Å; A157-E160 PolarHBondContact O-N 3.3Å; A157-E161 WeakPolarHBondContact O-CB 3.41Å; A157-E161 PolarHBondContact O-N 3.41Å
158	Q	98.3	Very high	98.3	Very high	90 Å²	90	101 Å²	101	42%	0.421	52%	0.519	S	S	.	.	H	α-helix	trans	-64.1	-39.2	175.4	-72.1	175.2	-11.3	0	0	112.6	L154 F155 Q156 E161 T162	L154-Q158 WeakPolarHBondContact O-CG 3.25Å; L154-Q158 PolarHBondContact O-N 2.85Å; F155-Q158 PolarHBondContact O-N 2.79Å; Q156-Q158 VanDerWaalsContact C-N 3.32Å; Q156-Q158 PolarHBondContact O-N 2.82Å; Q158-E161 PolarHBondContact O-N 3.42Å; Q158-T162 WeakPolarHBondContact O-CB 3.22Å; Q158-T162 PolarHBondContact O-N 3.37Å; Q158-T162 PolarHBondContact O-OG1 2.79Å
159	A	98.1	Very high	98.3	Very high	53 Å²	53	102 Å²	102	44%	0.438	53%	0.525	S	S	.	.	H	α-helix	trans	-66.4	-42.2	176.4	0	0	0	0	0	111.7	F155 Q156 T162 C163	F155-A159 WeakPolarHBondContact O-CB 3.2Å; F155-A159 PolarHBondContact O-N 2.86Å; Q156-A159 PolarHBondContact O-N 3.15Å; A159-T162 PolarHBondContact O-N 3.49Å; A159-C163 WeakPolarHBondContact O-CB 3.43Å; A159-C163 PolarHBondContact O-N 2.95Å; A159-C163 PolarHBondContact O-SG 2.69Å; A159-C163 VanDerWaalsContact O-SG 3.34Å
160	E	98.3	Very high	98.3	Very high	116 Å²	116	98.6 Å²	98.6	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-43.7	175.1	-73	175.7	-168.7	0	0	111.6	Q156 A157 C163 A164	Q156-E160 PolarHBondContact NE2-OE1 2.95Å; Q156-E160 WeakPolarHBondContact O-CG 3.38Å; Q156-E160 PolarHBondContact O-N 2.92Å; A157-E160 PolarHBondContact O-N 3.3Å; E160-C163 PolarHBondContact O-N 3.2Å; E160-A164 WeakPolarHBondContact O-CB 3.45Å; E160-A164 PolarHBondContact O-N 2.85Å
161	E	98.3	Very high	98.3	Very high	143 Å²	143	96 Å²	96	67%	0.668	50%	0.498	S	S	*	.	H	α-helix	trans	-61.4	-44.2	175	-174.5	175.4	-165	0	0	111.9	A157 Q158 A164 L165	A157-E161 WeakPolarHBondContact O-CB 3.41Å; A157-E161 PolarHBondContact O-N 3.41Å; Q158-E161 PolarHBondContact O-N 3.42Å; E161-A164 PolarHBondContact O-N 2.92Å; E161-L165 WeakPolarHBondContact O-CB 3.47Å; E161-L165 PolarHBondContact O-N 2.96Å
162	T	98.2	Very high	98.3	Very high	94 Å²	94	95.5 Å²	95.5	58%	0.577	50%	0.5	S	S	*	.	H	α-helix	trans	-63.3	-43.1	177.9	-57.8	0	0	0	0	111.6	Q158 A159 L165 W166	Q158-T162 WeakPolarHBondContact O-CB 3.22Å; Q158-T162 PolarHBondContact O-N 3.37Å; Q158-T162 PolarHBondContact O-OG1 2.79Å; A159-T162 PolarHBondContact O-N 3.49Å; T162-L165 PolarHBondContact O-N 2.82Å; T162-W166 PolarHBondContact O-N 2.81Å
163	C	98.3	Very high	98.4	Very high	78 Å²	78	98.6 Å²	98.6	53%	0.527	51%	0.505	S	S	.	.	H	α-helix	trans	-60.2	-46.2	174.5	-77.2	0	0	0	0	111.7	A159 E160 L165 W166 Q167	A159-C163 WeakPolarHBondContact O-CB 3.43Å; A159-C163 PolarHBondContact O-N 2.95Å; A159-C163 PolarHBondContact O-SG 2.69Å; A159-C163 VanDerWaalsContact O-SG 3.34Å; E160-C163 PolarHBondContact O-N 3.2Å; C163-L165 VanDerWaalsContact C-N 3.35Å; C163-L165 PolarHBondContact O-N 2.89Å; C163-W166 PolarHBondContact O-N 2.65Å; C163-Q167 WeakPolarHBondContact O-CG 3.32Å; C163-Q167 PolarHBondContact O-N 2.94Å
164	A	98.3	Very high	98.4	Very high	41 Å²	41	100.2 Å²	100.2	34%	0.339	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-39.5	178.1	0	0	0	0	0	112.1	E160 E161 K168	E160-A164 WeakPolarHBondContact O-CB 3.45Å; E160-A164 PolarHBondContact O-N 2.85Å; E161-A164 PolarHBondContact O-N 2.92Å; A164-K168 WeakPolarHBondContact O-CG 3.18Å; A164-K168 PolarHBondContact O-N 2.9Å; A164-K168 VanDerWaalsContact O-N 3.13Å
165	L	98.4	Very high	98.4	Very high	102 Å²	102	101.3 Å²	101.3	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-46.9	175.5	-179.4	62.1	0	0	0	111.7	E161 T162 C163 Q167 K168 M169	E161-L165 WeakPolarHBondContact O-CB 3.47Å; E161-L165 PolarHBondContact O-N 2.96Å; T162-L165 PolarHBondContact O-N 2.82Å; C163-L165 VanDerWaalsContact C-N 3.35Å; C163-L165 PolarHBondContact O-N 2.89Å; L165-Q167 VanDerWaalsContact C-N 3.34Å; L165-Q167 PolarHBondContact O-N 3.1Å; L165-K168 WeakPolarHBondContact O-CB 3.39Å; L165-K168 PolarHBondContact O-N 2.97Å; L165-M169 HydrophobicContact CG-SD 4.26Å; L165-M169 WeakPolarHBondContact O-CG 3.44Å; L165-M169 PolarHBondContact O-N 2.96Å
166	W	98.3	Very high	98.4	Very high	169 Å²	169	99.1 Å²	99.1	64%	0.64	50%	0.502	S	S	*	.	H	α-helix	trans	-60.2	-43.1	178.3	-179	86.2	0	0	0	112	T162 C163 K168 M169 V170	T162-W166 PolarHBondContact O-N 2.81Å; C163-W166 PolarHBondContact O-N 2.65Å; W166-K168 VanDerWaalsContact C-N 3.34Å; W166-K168 PolarHBondContact O-N 3.43Å; W166-M169 PolarHBondContact O-N 2.95Å; W166-V170 HydrophobicContact CD2-CG2 3.91Å; W166-V170 HydrophobicContact CE3-CG2 4.19Å; W166-V170 HydrophobicContact CH2-CG2 3.96Å; W166-V170 HydrophobicContact CZ2-CG2 3.65Å; W166-V170 HydrophobicContact CZ3-CG2 4.22Å; W166-V170 WeakPolarHBondContact O-CG2 3.3Å; W166-V170 PolarHBondContact O-N 2.86Å
167	Q	98.6	Very high	98.4	Very high	125 Å²	125	97.2 Å²	97.2	58%	0.584	50%	0.498	S	S	*	.	H	α-helix	trans	-59.2	-44.3	175.3	-74.2	176.8	-8.2	0	0	111.9	C163 L165 M169 V170 E171	C163-Q167 WeakPolarHBondContact O-CG 3.32Å; C163-Q167 PolarHBondContact O-N 2.94Å; L165-Q167 VanDerWaalsContact C-N 3.34Å; L165-Q167 PolarHBondContact O-N 3.1Å; Q167-M169 PolarHBondContact O-N 3.48Å; Q167-V170 PolarHBondContact O-N 2.93Å; Q167-E171 WeakPolarHBondContact O-CB 3.27Å; Q167-E171 PolarHBondContact O-N 2.96Å
168	K	98.5	Very high	98.4	Very high	152 Å²	152	100.7 Å²	100.7	66%	0.661	51%	0.509	S	S	*	.	H	α-helix	trans	-61.9	-41.4	175.1	-72.7	173.6	-178.8	175.7	0	112.1	A164 L165 W166 E171 S172	A164-K168 WeakPolarHBondContact O-CG 3.18Å; A164-K168 PolarHBondContact O-N 2.9Å; A164-K168 VanDerWaalsContact O-N 3.13Å; L165-K168 WeakPolarHBondContact O-CB 3.39Å; L165-K168 PolarHBondContact O-N 2.97Å; W166-K168 VanDerWaalsContact C-N 3.34Å; W166-K168 PolarHBondContact O-N 3.43Å; K168-E171 PolarHBondContact O-N 2.89Å; K168-S172 WeakPolarHBondContact O-CB 3.1Å; K168-S172 PolarHBondContact O-N 2.95Å
169	M	98.7	Very high	98.5	Very high	115 Å²	115	97.9 Å²	97.9	57%	0.567	50%	0.504	S	S	*	.	H	α-helix	trans	-63.7	-46.5	177.5	-71.5	175.4	65.2	0	0	111.7	L165 W166 Q167 S172 Q173	L165-M169 HydrophobicContact CG-SD 4.26Å; L165-M169 WeakPolarHBondContact O-CG 3.44Å; L165-M169 PolarHBondContact O-N 2.96Å; W166-M169 PolarHBondContact O-N 2.95Å; Q167-M169 PolarHBondContact O-N 3.48Å; M169-S172 PolarHBondContact O-N 3.05Å; M169-Q173 WeakPolarHBondContact O-CG 3.35Å; M169-Q173 PolarHBondContact O-N 2.85Å
170	V	98.6	Very high	98.5	Very high	38 Å²	38	100.9 Å²	100.9	23%	0.23	51%	0.509	C	S	.	.	H	α-helix	trans	-62.5	-44	177.2	172	0	0	0	0	110.8	W166 Q167 Q173 R174	W166-V170 HydrophobicContact CD2-CG2 3.91Å; W166-V170 HydrophobicContact CE3-CG2 4.19Å; W166-V170 HydrophobicContact CH2-CG2 3.96Å; W166-V170 HydrophobicContact CZ2-CG2 3.65Å; W166-V170 HydrophobicContact CZ3-CG2 4.22Å; W166-V170 WeakPolarHBondContact O-CG2 3.3Å; W166-V170 PolarHBondContact O-N 2.86Å; Q167-V170 PolarHBondContact O-N 2.93Å; V170-Q173 PolarHBondContact O-N 3.29Å; V170-R174 WeakPolarHBondContact O-CG 3.49Å; V170-R174 PolarHBondContact O-N 2.89Å
171	E	98.6	Very high	98.5	Very high	81 Å²	81	100.9 Å²	100.9	38%	0.379	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-40.6	178.8	-170.5	54.7	-149.5	0	0	112.2	Q167 K168 Q173 R174 Q175	Q167-E171 WeakPolarHBondContact O-CB 3.27Å; Q167-E171 PolarHBondContact O-N 2.96Å; K168-E171 PolarHBondContact O-N 2.89Å; E171-Q173 VanDerWaalsContact C-N 3.35Å; E171-Q173 PolarHBondContact O-N 3.34Å; E171-R174 WeakPolarHBondContact O-CB 3.35Å; E171-R174 PolarHBondContact O-N 2.87Å; E171-R174 WeakPolarHBondContact OE2-CD 3.19Å; E171-R174 IonicContact OE2-NH1 4Å; E171-R174 PolarHBondContact OE2-NH1 2.88Å; E171-Q175 WeakPolarHBondContact O-CG 3.39Å; E171-Q175 PolarHBondContact O-N 3.26Å
172	S	98.5	Very high	98.5	Very high	54 Å²	54	99.2 Å²	99.2	38%	0.378	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-44.1	172.3	178.7	0	0	0	0	111.8	K168 M169 R174 Q175 N176	K168-S172 WeakPolarHBondContact O-CB 3.1Å; K168-S172 PolarHBondContact O-N 2.95Å; M169-S172 PolarHBondContact O-N 3.05Å; S172-R174 PolarHBondContact O-N 2.97Å; S172-Q175 PolarHBondContact O-N 3.38Å; S172-N176 PolarHBondContact O-N 3.4Å; S172-N176 PolarHBondContact O-ND2 3.04Å; S172-N176 PolarHBondContact O-OD1 3.43Å
173	Q	98.6	Very high	98.4	Very high	119 Å²	119	101.2 Å²	101.2	56%	0.556	50%	0.497	S	S	*	.	H	α-helix	trans	-64	-39.3	176.9	-70.3	-59.7	-46.3	0	0	112.3	M169 V170 E171 Q175 N176 V177	M169-Q173 WeakPolarHBondContact O-CG 3.35Å; M169-Q173 PolarHBondContact O-N 2.85Å; V170-Q173 PolarHBondContact O-N 3.29Å; E171-Q173 VanDerWaalsContact C-N 3.35Å; E171-Q173 PolarHBondContact O-N 3.34Å; Q173-Q175 PolarHBondContact O-N 2.77Å; Q173-N176 PolarHBondContact O-N 2.82Å; Q173-V177 WeakPolarHBondContact O-CG2 3.41Å; Q173-V177 PolarHBondContact O-N 2.85Å
174	R	98.7	Very high	98.3	Very high	143 Å²	143	101.7 Å²	101.7	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-59.1	-47.1	174	-73.8	173.9	-177.6	153.1	-0.9	111.7	V170 E171 S172 N176 V177 L178	V170-R174 WeakPolarHBondContact O-CG 3.49Å; V170-R174 PolarHBondContact O-N 2.89Å; E171-R174 WeakPolarHBondContact O-CB 3.35Å; E171-R174 PolarHBondContact O-N 2.87Å; E171-R174 WeakPolarHBondContact OE2-CD 3.19Å; E171-R174 IonicContact OE2-NH1 4Å; E171-R174 PolarHBondContact OE2-NH1 2.88Å; S172-R174 PolarHBondContact O-N 2.97Å; R174-N176 VanDerWaalsContact C-N 3.34Å; R174-N176 PolarHBondContact O-N 2.89Å; R174-V177 PolarHBondContact O-N 3.48Å; R174-L178 WeakPolarHBondContact O-CG 3.31Å; R174-L178 PolarHBondContact O-N 2.79Å
175	Q	98.6	Very high	98.3	Very high	116 Å²	116	108.1 Å²	108.1	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-41.5	178.6	-70.2	176.2	0.8	0	0	111.7	E171 S172 Q173 L178 G179	E171-Q175 WeakPolarHBondContact O-CG 3.39Å; E171-Q175 PolarHBondContact O-N 3.26Å; S172-Q175 PolarHBondContact O-N 3.38Å; Q173-Q175 PolarHBondContact O-N 2.77Å; Q175-L178 PolarHBondContact O-N 2.78Å; Q175-G179 PolarHBondContact O-N 2.77Å
176	N	98.5	Very high	98.2	Very high	82 Å²	82	109.4 Å²	109.4	44%	0.439	51%	0.507	S	S	.	.	H	α-helix	trans	-61.8	-46.6	176.5	-67.1	-20.9	0	0	0	111.8	S172 Q173 R174 L178 G179 E180	S172-N176 PolarHBondContact O-N 3.4Å; S172-N176 PolarHBondContact O-ND2 3.04Å; S172-N176 PolarHBondContact O-OD1 3.43Å; Q173-N176 PolarHBondContact O-N 2.82Å; R174-N176 VanDerWaalsContact C-N 3.34Å; R174-N176 PolarHBondContact O-N 2.89Å; N176-L178 PolarHBondContact O-N 2.84Å; N176-G179 PolarHBondContact O-N 2.87Å; N176-E180 WeakPolarHBondContact O-CB 3.32Å; N176-E180 WeakPolarHBondContact O-CG 3.4Å; N176-E180 PolarHBondContact O-N 3.07Å
177	V	98.5	Very high	98.1	Very high	78 Å²	78	105.7 Å²	105.7	47%	0.473	50%	0.499	S	S	.	.	H	α-helix	trans	-59.5	-49.5	177.6	171.2	0	0	0	0	110.5	Q173 R174 G179 E180 F181	Q173-V177 WeakPolarHBondContact O-CG2 3.41Å; Q173-V177 PolarHBondContact O-N 2.85Å; R174-V177 PolarHBondContact O-N 3.48Å; V177-G179 PolarHBondContact O-N 2.94Å; V177-E180 PolarHBondContact O-N 2.76Å; V177-F181 HydrophobicContact CG1-CD2 3.76Å; V177-F181 HydrophobicContact CG1-CE2 3.89Å; V177-F181 VanDerWaalsContact O-CD2 3.29Å; V177-F181 WeakPolarHBondContact O-CD2 3.48Å; V177-F181 PolarHBondContact O-N 3.29Å
178	L	98.6	Very high	98	Very high	125 Å²	125	103 Å²	103	65%	0.654	49%	0.488	S	S	*	.	H	α-helix	trans	-60.3	-45.5	179.2	-69.3	173.9	0	0	0	112	R174 Q175 N176 F181 E182	R174-L178 WeakPolarHBondContact O-CG 3.31Å; R174-L178 PolarHBondContact O-N 2.79Å; Q175-L178 PolarHBondContact O-N 2.78Å; N176-L178 PolarHBondContact O-N 2.84Å; L178-F181 PolarHBondContact O-N 3.27Å; L178-E182 WeakPolarHBondContact O-CB 3.36Å; L178-E182 PolarHBondContact O-N 2.84Å
179	G	98.4	Very high	97.9	Very high	31 Å²	31	98.2 Å²	98.2	32%	0.32	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-43.8	179.8	0	0	0	0	0	113.5	Q175 N176 V177 E182 R183	Q175-G179 PolarHBondContact O-N 2.77Å; N176-G179 PolarHBondContact O-N 2.87Å; V177-G179 PolarHBondContact O-N 2.94Å; G179-E182 PolarHBondContact O-N 3.03Å; G179-R183 WeakPolarHBondContact O-CB 3.25Å; G179-R183 PolarHBondContact O-N 2.86Å
180	E	98.3	Very high	97.8	Very high	117 Å²	117	97.4 Å²	97.4	55%	0.547	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-39.1	178.6	-70.7	-57.2	135.1	0	0	112.1	N176 V177 R183 L184	N176-E180 WeakPolarHBondContact O-CB 3.32Å; N176-E180 WeakPolarHBondContact O-CG 3.4Å; N176-E180 PolarHBondContact O-N 3.07Å; V177-E180 PolarHBondContact O-N 2.76Å; E180-R183 PolarHBondContact O-N 2.94Å; E180-L184 WeakPolarHBondContact O-CB 3.34Å; E180-L184 PolarHBondContact O-N 3.28Å
181	F	98.1	Very high	97.6	Very high	116 Å²	116	98.7 Å²	98.7	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-66.9	-39.1	174.3	-88.7	-76	0	0	0	112.5	V177 L178 L184 R185	V177-F181 HydrophobicContact CG1-CD2 3.76Å; V177-F181 HydrophobicContact CG1-CE2 3.89Å; V177-F181 VanDerWaalsContact O-CD2 3.29Å; V177-F181 WeakPolarHBondContact O-CD2 3.48Å; V177-F181 PolarHBondContact O-N 3.29Å; L178-F181 PolarHBondContact O-N 3.27Å; F181-L184 PolarHBondContact O-N 2.85Å; F181-R185 WeakPolarHBondContact O-CG 3.38Å; F181-R185 PolarHBondContact O-N 3.37Å
182	E	98.3	Very high	97.5	Very high	107 Å²	107	100.8 Å²	100.8	50%	0.5	49%	0.485	S	S	.	.	H	α-helix	trans	-63.9	-42.7	175	-169.6	-172.4	145.1	0	0	111.3	L178 G179 L184 R185 R186	L178-E182 WeakPolarHBondContact O-CB 3.36Å; L178-E182 PolarHBondContact O-N 2.84Å; G179-E182 PolarHBondContact O-N 3.03Å; E182-L184 PolarHBondContact O-N 2.95Å; E182-R185 PolarHBondContact O-N 2.83Å; E182-R186 PolarHBondContact O-N 3.23Å; E182-R186 IonicContact OE1-CZ 3.74Å; E182-R186 IonicContact OE1-NH1 2.72Å; E182-R186 PolarHBondContact OE1-NH1 2.9Å
183	R	98.1	Very high	97.4	Very high	137 Å²	137	104.6 Å²	104.6	52%	0.517	50%	0.497	S	S	.	.	H	α-helix	trans	-59.3	-46	173.8	-177.1	-178.5	177	-172.6	-0.6	111.5	G179 E180 R186 L187	G179-R183 WeakPolarHBondContact O-CB 3.25Å; G179-R183 PolarHBondContact O-N 2.86Å; E180-R183 PolarHBondContact O-N 2.94Å; R183-R186 PolarHBondContact O-N 3.03Å; R183-L187 HydrophobicContact CG-CD1 4.47Å; R183-L187 WeakPolarHBondContact O-CG 3.33Å; R183-L187 PolarHBondContact O-N 2.9Å; R183-L187 VanDerWaalsContact O-N 3.13Å
184	L	95.9	Very high	97.3	Very high	87 Å²	87	103.3 Å²	103.3	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-43.4	176.7	-179.5	61.6	0	0	0	111.8	E180 F181 E182 R186 L187 L188	E180-L184 WeakPolarHBondContact O-CB 3.34Å; E180-L184 PolarHBondContact O-N 3.28Å; F181-L184 PolarHBondContact O-N 2.85Å; E182-L184 PolarHBondContact O-N 2.95Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 3.46Å; L184-L187 PolarHBondContact O-N 3.05Å; L184-L188 HydrophobicContact CD1-CD1 4.36Å; L184-L188 HydrophobicContact CD1-CG 4.3Å; L184-L188 HydrophobicContact CG-CD1 4.11Å; L184-L188 HydrophobicContact CG-CG 4.47Å; L184-L188 WeakPolarHBondContact O-CG 3.38Å; L184-L188 PolarHBondContact O-N 3.05Å
185	R	97	Very high	97	Very high	176 Å²	176	97.5 Å²	97.5	66%	0.664	47%	0.47	S	S	*	.	H	α-helix	trans	-59.9	-41.7	176.6	-73.3	177.9	-159	-86.1	1.6	112.2	F181 E182 L188 A189	F181-R185 WeakPolarHBondContact O-CG 3.38Å; F181-R185 PolarHBondContact O-N 3.37Å; E182-R185 PolarHBondContact O-N 2.83Å; R185-L188 PolarHBondContact O-N 2.84Å; R185-A189 WeakPolarHBondContact O-CB 3.43Å; R185-A189 PolarHBondContact O-N 3.49Å
186	R	97.6	Very high	96.9	Very high	130 Å²	130	96.9 Å²	96.9	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-48.7	175.4	-76.8	-166.7	-70.7	-103.7	-5.6	112	E182 R183 L184 L188 A189 E190	E182-R186 PolarHBondContact O-N 3.23Å; E182-R186 IonicContact OE1-CZ 3.74Å; E182-R186 IonicContact OE1-NH1 2.72Å; E182-R186 PolarHBondContact OE1-NH1 2.9Å; R183-R186 PolarHBondContact O-N 3.03Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 3.46Å; R186-L188 VanDerWaalsContact C-N 3.3Å; R186-L188 PolarHBondContact O-N 3.12Å; R186-A189 PolarHBondContact O-N 3.38Å; R186-E190 WeakPolarHBondContact O-CG 3.34Å; R186-E190 PolarHBondContact O-N 3.38Å
187	L	96	Very high	96.8	Very high	90 Å²	90	97.6 Å²	97.6	47%	0.471	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-40.2	178.3	-67.6	172.3	0	0	0	112.1	R183 L184 E190 E191	R183-L187 HydrophobicContact CG-CD1 4.47Å; R183-L187 WeakPolarHBondContact O-CG 3.33Å; R183-L187 PolarHBondContact O-N 2.9Å; R183-L187 VanDerWaalsContact O-N 3.13Å; L184-L187 PolarHBondContact O-N 3.05Å; L187-E190 PolarHBondContact O-N 3.09Å; L187-E191 PolarHBondContact O-N 2.95Å
188	L	95.4	Very high	96.6	Very high	69 Å²	69	98.1 Å²	98.1	36%	0.361	47%	0.467	S	S	.	.	H	α-helix	trans	-66.7	-39	176.2	-71.5	174.4	0	0	0	112.5	L184 R185 R186 E191 E192	L184-L188 HydrophobicContact CD1-CD1 4.36Å; L184-L188 HydrophobicContact CD1-CG 4.3Å; L184-L188 HydrophobicContact CG-CD1 4.11Å; L184-L188 HydrophobicContact CG-CG 4.47Å; L184-L188 WeakPolarHBondContact O-CG 3.38Å; L184-L188 PolarHBondContact O-N 3.05Å; R185-L188 PolarHBondContact O-N 2.84Å; R186-L188 VanDerWaalsContact C-N 3.3Å; R186-L188 PolarHBondContact O-N 3.12Å; L188-E191 PolarHBondContact O-N 2.94Å; L188-E192 WeakPolarHBondContact O-CB 3.32Å; L188-E192 PolarHBondContact O-N 2.92Å
189	A	96.6	Very high	96.3	Very high	51 Å²	51	94.7 Å²	94.7	42%	0.421	45%	0.449	S	S	.	.	H	α-helix	trans	-66.8	-37.5	176.2	0	0	0	0	0	112.1	R185 R186 Q193	R185-A189 WeakPolarHBondContact O-CB 3.43Å; R185-A189 PolarHBondContact O-N 3.49Å; R186-A189 PolarHBondContact O-N 3.38Å; A189-Q193 WeakPolarHBondContact O-CB 3.39Å; A189-Q193 PolarHBondContact O-N 3.45Å
190	E	96.6	Very high	96.2	Very high	99 Å²	99	98.8 Å²	98.8	46%	0.463	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-44.9	173.1	-72.2	169.3	-160.2	0	0	111.3	R186 L187 Q193 Q194	R186-E190 WeakPolarHBondContact O-CG 3.34Å; R186-E190 PolarHBondContact O-N 3.38Å; L187-E190 PolarHBondContact O-N 3.09Å; E190-Q193 PolarHBondContact O-N 2.82Å; E190-Q194 WeakPolarHBondContact O-CB 3.31Å; E190-Q194 VanDerWaalsContact O-CG 3.25Å; E190-Q194 WeakPolarHBondContact O-CG 3.32Å; E190-Q194 PolarHBondContact O-N 2.9Å
191	E	95	Very high	96.1	Very high	65 Å²	65	98.2 Å²	98.2	30%	0.304	46%	0.457	S	S	.	.	H	α-helix	trans	-64.1	-43.1	176.9	-168.3	72.2	-152.1	0	0	111.8	L187 L188 Q193 Q194 L195 P291	L187-E191 PolarHBondContact O-N 2.95Å; L188-E191 PolarHBondContact O-N 2.94Å; E191-Q193 PolarHBondContact O-N 3.02Å; E191-Q194 PolarHBondContact O-N 3.41Å; E191-L195 HydrophobicContact CG-CD1 4.39Å; E191-L195 WeakPolarHBondContact O-CG 2.92Å; E191-L195 PolarHBondContact O-N 3.45Å; E191-P291 HydrophobicContact CG-CG 3.87Å
192	E	96	Very high	95.8	Very high	124 Å²	124	93.5 Å²	93.5	58%	0.579	44%	0.436	S	S	*	.	H	α-helix	trans	-55.5	-51.6	174.5	178.3	-179	-173.7	0	0	110.9	L188 Q194 L195 L196	L188-E192 WeakPolarHBondContact O-CB 3.32Å; L188-E192 PolarHBondContact O-N 2.92Å; E192-Q194 VanDerWaalsContact C-N 3.34Å; E192-Q194 PolarHBondContact O-N 3.45Å; E192-L195 PolarHBondContact O-N 3.03Å; E192-L196 HydrophobicContact CG-CD1 4.13Å; E192-L196 WeakPolarHBondContact O-CG 3.46Å; E192-L196 PolarHBondContact O-N 3.07Å
193	Q	97.5	Very high	95.5	Very high	135 Å²	135	94 Å²	94	63%	0.631	44%	0.439	S	S	*	.	H	α-helix	trans	-62.1	-41.2	179.4	-174.3	176.1	5.8	0	0	112.1	A189 E190 E191 L196 Q197	A189-Q193 WeakPolarHBondContact O-CB 3.39Å; A189-Q193 PolarHBondContact O-N 3.45Å; E190-Q193 PolarHBondContact O-N 2.82Å; E191-Q193 PolarHBondContact O-N 3.02Å; Q193-L196 PolarHBondContact O-N 2.86Å; Q193-Q197 WeakPolarHBondContact O-CB 3.42Å; Q193-Q197 PolarHBondContact O-N 2.99Å
194	Q	96	Very high	95.4	Very high	91 Å²	91	93.1 Å²	93.1	43%	0.425	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-41.2	177.8	-75.1	176.4	23.2	0	0	112.3	E190 E191 E192 K198	E190-Q194 WeakPolarHBondContact O-CB 3.31Å; E190-Q194 VanDerWaalsContact O-CG 3.25Å; E190-Q194 WeakPolarHBondContact O-CG 3.32Å; E190-Q194 PolarHBondContact O-N 2.9Å; E191-Q194 PolarHBondContact O-N 3.41Å; E192-Q194 VanDerWaalsContact C-N 3.34Å; E192-Q194 PolarHBondContact O-N 3.45Å; Q194-K198 VanDerWaalsContact O-CG 3.31Å; Q194-K198 WeakPolarHBondContact O-CG 3.15Å; Q194-K198 PolarHBondContact O-N 3.01Å; Q194-K198 VanDerWaalsContact O-N 3.08Å
195	L	93.2	Very high	95.2	Very high	21 Å²	21	93.4 Å²	93.4	11%	0.11	44%	0.443	C	S	.	.	H	α-helix	trans	-65.7	-44.4	176.9	-71.9	173.3	0	0	0	111.4	E191 E192 Q197 K198 L199 T286 R289	E191-L195 HydrophobicContact CG-CD1 4.39Å; E191-L195 WeakPolarHBondContact O-CG 2.92Å; E191-L195 PolarHBondContact O-N 3.45Å; E192-L195 PolarHBondContact O-N 3.03Å; L195-Q197 PolarHBondContact O-N 2.9Å; L195-K198 PolarHBondContact O-N 3.09Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 2.8Å; L195-L199 VanDerWaalsContact O-N 3.08Å; L195-T286 HydrophobicContact CD2-CG2 4.11Å; L195-R289 WeakPolarHBondContact CD1-O 3.48Å
196	L	95.2	Very high	94.9	Very high	103 Å²	103	86.5 Å²	86.5	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-43.3	177	-70	174	0	0	0	111.9	E192 Q193 K198 L199 E200	E192-L196 HydrophobicContact CG-CD1 4.13Å; E192-L196 WeakPolarHBondContact O-CG 3.46Å; E192-L196 PolarHBondContact O-N 3.07Å; Q193-L196 PolarHBondContact O-N 2.86Å; L196-K198 PolarHBondContact O-N 3.02Å; L196-L199 PolarHBondContact O-N 2.8Å; L196-E200 PolarHBondContact O-N 2.86Å
197	Q	97.1	Very high	94.7	Very high	97 Å²	97	82.6 Å²	82.6	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176.8	-177	-178.1	-7	0	0	111.7	Q193 L195 L199 E200 E201	Q193-Q197 WeakPolarHBondContact O-CB 3.42Å; Q193-Q197 PolarHBondContact O-N 2.99Å; L195-Q197 PolarHBondContact O-N 2.9Å; Q197-L199 VanDerWaalsContact C-N 3.32Å; Q197-L199 PolarHBondContact O-N 3.39Å; Q197-E200 PolarHBondContact O-N 2.97Å; Q197-E201 HydrophobicContact CG-CG 4.48Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.39Å; Q197-E201 PolarHBondContact NE2-OE1 3.41Å; Q197-E201 WeakPolarHBondContact O-CG 3.26Å; Q197-E201 PolarHBondContact O-N 3.13Å
198	K	94.3	Very high	94.6	Very high	90 Å²	90	81.6 Å²	81.6	39%	0.391	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-42.2	177.2	-72.6	172.2	-172.9	168.7	0	111.7	Q194 L195 L196 E201 E202 T286	Q194-K198 VanDerWaalsContact O-CG 3.31Å; Q194-K198 WeakPolarHBondContact O-CG 3.15Å; Q194-K198 PolarHBondContact O-N 3.01Å; Q194-K198 VanDerWaalsContact O-N 3.08Å; L195-K198 PolarHBondContact O-N 3.09Å; L196-K198 PolarHBondContact O-N 3.02Å; K198-E201 PolarHBondContact O-N 3.01Å; K198-E202 WeakPolarHBondContact O-CG 3.31Å; K198-E202 PolarHBondContact O-N 2.97Å; K198-T286 HydrophobicContact CB-CG2 4.01Å; K198-T286 WeakPolarHBondContact CB-OG1 3.43Å; K198-T286 HydrophobicContact CD-CG2 4.17Å
199	L	92.6	Very high	94.4	Very high	52 Å²	52	84 Å²	84	27%	0.272	41%	0.412	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.2	-69.9	175.3	0	0	0	112.1	L195 L196 Q197 E202 E203 L284 T286	L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 2.8Å; L195-L199 VanDerWaalsContact O-N 3.08Å; L196-L199 PolarHBondContact O-N 2.8Å; Q197-L199 VanDerWaalsContact C-N 3.32Å; Q197-L199 PolarHBondContact O-N 3.39Å; L199-E202 PolarHBondContact O-N 3.08Å; L199-E203 WeakPolarHBondContact O-CB 2.91Å; L199-E203 PolarHBondContact O-N 3.49Å; L199-L284 HydrophobicContact CD2-CD1 4.37Å; L199-L284 HydrophobicContact CD2-CD2 4.26Å; L199-T286 HydrophobicContact CD2-CG2 4.45Å
200	E	95.5	Very high	94.2	Very high	118 Å²	118	84.4 Å²	84.4	55%	0.551	41%	0.407	S	S	*	.	H	α-helix	trans	-62.8	-43.9	176.1	-175.6	176.2	-170.1	0	0	111.5	L196 Q197 E202 E203 L204	L196-E200 PolarHBondContact O-N 2.86Å; Q197-E200 PolarHBondContact O-N 2.97Å; E200-E202 VanDerWaalsContact C-N 3.34Å; E200-E202 PolarHBondContact O-N 3.47Å; E200-E203 PolarHBondContact O-N 2.9Å; E200-L204 HydrophobicContact CG-CD1 4.13Å; E200-L204 WeakPolarHBondContact O-CB 3.43Å; E200-L204 VanDerWaalsContact O-CG 3.26Å; E200-L204 WeakPolarHBondContact O-CG 3.34Å; E200-L204 PolarHBondContact O-N 2.91Å
201	E	95.9	Very high	94.1	Very high	105 Å²	105	87.3 Å²	87.3	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-60.9	-41.7	175.6	-72.5	172.4	-171.6	0	0	111.8	Q197 K198 L204 E205	Q197-E201 HydrophobicContact CG-CG 4.48Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.39Å; Q197-E201 PolarHBondContact NE2-OE1 3.41Å; Q197-E201 WeakPolarHBondContact O-CG 3.26Å; Q197-E201 PolarHBondContact O-N 3.13Å; K198-E201 PolarHBondContact O-N 3.01Å; E201-L204 PolarHBondContact O-N 2.8Å; E201-E205 PolarHBondContact O-N 2.71Å; E201-E205 VanDerWaalsContact O-N 3.07Å
202	E	92.3	Very high	94.1	Very high	16 Å²	16	89.4 Å²	89.4	8%	0.075	42%	0.423	C	S	.	.	H	α-helix	trans	-66.5	-42	175.4	-70.2	-165.1	-137.1	0	0	112.8	K198 L199 E200 E205 V206 R285 T286	K198-E202 WeakPolarHBondContact O-CG 3.31Å; K198-E202 PolarHBondContact O-N 2.97Å; L199-E202 PolarHBondContact O-N 3.08Å; E200-E202 VanDerWaalsContact C-N 3.34Å; E200-E202 PolarHBondContact O-N 3.47Å; E202-E205 PolarHBondContact O-N 3.04Å; E202-V206 WeakPolarHBondContact O-CB 3.36Å; E202-V206 WeakPolarHBondContact O-CG2 3.25Å; E202-V206 PolarHBondContact O-N 3.29Å; E202-R285 WeakPolarHBondContact OE2-CB 3.44Å; E202-R285 PolarHBondContact OE2-N 3.33Å; E202-R285 IonicContact OE2-NE 3.53Å; E202-T286 WeakPolarHBondContact OE1-CA 3.39Å; E202-T286 WeakPolarHBondContact OE1-CB 3.49Å; E202-T286 PolarHBondContact OE1-N 3.35Å; E202-T286 PolarHBondContact OE1-OG1 3.18Å
203	E	92.5	Very high	93.8	Very high	117 Å²	117	83.8 Å²	83.8	55%	0.547	40%	0.398	S	S	.	.	H	α-helix	trans	-60.9	-46.4	175.3	-176.6	178.5	-167.8	0	0	110.9	L199 E200 E205 V206 L207	L199-E203 WeakPolarHBondContact O-CB 2.91Å; L199-E203 PolarHBondContact O-N 3.49Å; E200-E203 PolarHBondContact O-N 2.9Å; E203-E205 VanDerWaalsContact C-N 3.26Å; E203-E205 PolarHBondContact O-N 3.49Å; E203-V206 PolarHBondContact O-N 3.21Å; E203-L207 HydrophobicContact CG-CB 4.3Å; E203-L207 HydrophobicContact CG-CD2 4.1Å; E203-L207 WeakPolarHBondContact O-CB 3.49Å; E203-L207 PolarHBondContact O-N 2.95Å
204	L	95.2	Very high	93.6	Very high	119 Å²	119	80.4 Å²	80.4	62%	0.623	39%	0.394	S	S	*	.	H	α-helix	trans	-62.8	-31.2	178.3	-72.3	173.1	0	0	0	112.7	E200 E201 P208	E200-L204 HydrophobicContact CG-CD1 4.13Å; E200-L204 WeakPolarHBondContact O-CB 3.43Å; E200-L204 VanDerWaalsContact O-CG 3.26Å; E200-L204 WeakPolarHBondContact O-CG 3.34Å; E200-L204 PolarHBondContact O-N 2.91Å; E201-L204 PolarHBondContact O-N 2.8Å; L204-P208 WeakPolarHBondContact O-CD 3.23Å; L204-P208 VanDerWaalsContact O-CG 3.29Å; L204-P208 WeakPolarHBondContact O-CG 3.4Å
205	E	92.3	Very high	93.5	Very high	94 Å²	94	79.1 Å²	79.1	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-74.3	-44.9	175	-172.3	-172.8	145.9	0	0	112.4	E201 E202 E203 R285	E201-E205 PolarHBondContact O-N 2.71Å; E201-E205 VanDerWaalsContact O-N 3.07Å; E202-E205 PolarHBondContact O-N 3.04Å; E203-E205 VanDerWaalsContact C-N 3.26Å; E203-E205 PolarHBondContact O-N 3.49Å; E205-R285 IonicContact OE1-CZ 3.93Å; E205-R285 IonicContact OE1-NH1 3.39Å; E205-R285 PolarHBondContact OE1-NH1 3.43Å; E205-R285 IonicContact OE1-NH2 3.7Å; E205-R285 IonicContact OE2-CZ 3.39Å; E205-R285 IonicContact OE2-NH1 3.18Å; E205-R285 PolarHBondContact OE2-NH1 3.27Å; E205-R285 IonicContact OE2-NH2 2.67Å; E205-R285 PolarHBondContact OE2-NH2 3.5Å
206	V	91.2	Very high	93.6	Very high	30 Å²	30	82.7 Å²	82.7	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-87.2	-42	-168.4	174.9	0	0	0	0	112.3	E202 E203 R209 L210 V280 M282	E202-V206 WeakPolarHBondContact O-CB 3.36Å; E202-V206 WeakPolarHBondContact O-CG2 3.25Å; E202-V206 PolarHBondContact O-N 3.29Å; E203-V206 PolarHBondContact O-N 3.21Å; V206-R209 WeakPolarHBondContact O-CB 3.42Å; V206-R209 PolarHBondContact O-N 2.91Å; V206-R209 VanDerWaalsContact O-N 3.13Å; V206-L210 HydrophobicContact CG1-CD1 3.88Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 PolarHBondContact O-N 3.37Å; V206-V280 HydrophobicContact CG1-CG1 3.86Å; V206-M282 HydrophobicContact CG1-SD 4.3Å
207	L	92.5	Very high	93.4	Very high	48 Å²	48	80.8 Å²	80.8	25%	0.251	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-40	-171.2	-172.6	61.6	0	0	0	114.1	E203 R209 L210 R211	E203-L207 HydrophobicContact CG-CB 4.3Å; E203-L207 HydrophobicContact CG-CD2 4.1Å; E203-L207 WeakPolarHBondContact O-CB 3.49Å; E203-L207 PolarHBondContact O-N 2.95Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.97Å; L207-L210 PolarHBondContact O-N 3.18Å; L207-R211 VanDerWaalsContact CD2-CZ 3.46Å; L207-R211 VanDerWaalsContact CD2-NH2 3.34Å; L207-R211 WeakPolarHBondContact O-CG 3.24Å; L207-R211 PolarHBondContact O-N 2.83Å
208	P	94.1	Very high	93.3	Very high	70 Å²	70	78 Å²	78	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-38.4	175.6	-24.8	36	0	0	0	113.1	L204 R211 E212	L204-P208 WeakPolarHBondContact O-CD 3.23Å; L204-P208 VanDerWaalsContact O-CG 3.29Å; L204-P208 WeakPolarHBondContact O-CG 3.4Å; P208-R211 PolarHBondContact O-N 2.82Å; P208-E212 WeakPolarHBondContact O-CB 3.42Å; P208-E212 PolarHBondContact O-N 3.44Å
209	R	91.8	Very high	93.3	Very high	120 Å²	120	79.2 Å²	79.2	45%	0.453	41%	0.405	S	S	.	.	H	α-helix	trans	-66.7	-40.1	-179.7	-61.2	175.6	63.7	-170.9	-3.1	111.3	V206 L207 G213 V280	V206-R209 WeakPolarHBondContact O-CB 3.42Å; V206-R209 PolarHBondContact O-N 2.91Å; V206-R209 VanDerWaalsContact O-N 3.13Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.97Å; R209-G213 PolarHBondContact O-N 3.48Å; R209-V280 HydrophobicContact CB-CG1 4.45Å; R209-V280 HydrophobicContact CB-CG2 4.04Å
210	L	91.4	Very high	93.3	Very high	58 Å²	58	78.2 Å²	78.2	30%	0.304	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-47	174.2	-65.9	174	0	0	0	111.9	V206 L207 E212 G213 A214 V280 M282	V206-L210 HydrophobicContact CG1-CD1 3.88Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 PolarHBondContact O-N 3.37Å; L207-L210 PolarHBondContact O-N 3.18Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.31Å; L210-G213 PolarHBondContact O-N 3.28Å; L210-A214 PolarHBondContact O-N 3.49Å; L210-V280 HydrophobicContact CD2-CB 3.74Å; L210-V280 HydrophobicContact CD2-CG1 4.18Å; L210-V280 HydrophobicContact CD2-CG2 3.96Å; L210-V280 HydrophobicContact CG-CG1 4.46Å; L210-M282 HydrophobicContact CD1-CE 3.67Å; L210-M282 HydrophobicContact CD1-SD 3.55Å; L210-M282 VanDerWaalsContact CD1-SD 3.55Å; L210-M282 HydrophobicContact CD2-SD 3.62Å; L210-M282 HydrophobicContact CG-SD 4.11Å
211	R	94.6	Very high	93.3	Very high	161 Å²	161	76.1 Å²	76.1	61%	0.608	40%	0.398	S	S	*	.	H	α-helix	trans	-60.4	-41.1	177.8	-75.8	177.1	176	153.3	-0.5	111.8	L207 P208 A214 A215	L207-R211 VanDerWaalsContact CD2-CZ 3.46Å; L207-R211 VanDerWaalsContact CD2-NH2 3.34Å; L207-R211 WeakPolarHBondContact O-CG 3.24Å; L207-R211 PolarHBondContact O-N 2.83Å; P208-R211 PolarHBondContact O-N 2.82Å; R211-A214 PolarHBondContact O-N 3.46Å; R211-A215 VanDerWaalsContact O-CB 3.3Å; R211-A215 WeakPolarHBondContact O-CB 3.3Å; R211-A215 PolarHBondContact O-N 3.34Å
212	E	94	Very high	93.2	Very high	108 Å²	108	75.5 Å²	75.5	51%	0.505	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-41.6	176	-161.8	-160.9	-173.2	0	0	111.7	P208 L210 A215 R216	P208-E212 WeakPolarHBondContact O-CB 3.42Å; P208-E212 PolarHBondContact O-N 3.44Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.31Å; E212-A215 PolarHBondContact O-N 3.02Å; E212-R216 VanDerWaalsContact CG-NH1 3.34Å; E212-R216 WeakPolarHBondContact O-CG 3.46Å; E212-R216 PolarHBondContact O-N 3.5Å; E212-R216 IonicContact OE1-CZ 3.93Å; E212-R216 IonicContact OE1-NH1 2.83Å; E212-R216 PolarHBondContact OE1-NH1 2.98Å; E212-R216 IonicContact OE2-CZ 3.53Å; E212-R216 IonicContact OE2-NH1 2.91Å; E212-R216 PolarHBondContact OE2-NH1 3.38Å; E212-R216 IonicContact OE2-NH2 3.27Å; E212-R216 PolarHBondContact OE2-NH2 2.92Å
213	G	91.6	Very high	93.2	Very high	6 Å²	6	80.1 Å²	80.1	6%	0.062	42%	0.422	C	S	.	.	H	α-helix	trans	-58.6	-48	172.6	0	0	0	0	0	112.9	R209 L210 R216 L217	R209-G213 PolarHBondContact O-N 3.48Å; L210-G213 PolarHBondContact O-N 3.28Å; G213-R216 PolarHBondContact O-N 2.9Å; G213-L217 PolarHBondContact O-N 3.36Å; G213-L217 VanDerWaalsContact O-N 3.17Å
214	A	92.8	Very high	93.2	Very high	64 Å²	64	77.3 Å²	77.3	53%	0.529	41%	0.411	S	S	.	.	H	α-helix	trans	-64.8	-41.7	177.6	0	0	0	0	0	112.4	L210 R211 L217 G218	L210-A214 PolarHBondContact O-N 3.49Å; R211-A214 PolarHBondContact O-N 3.46Å; A214-L217 PolarHBondContact O-N 2.99Å; A214-G218 PolarHBondContact O-N 2.82Å
215	A	94.3	Very high	93.2	Very high	65 Å²	65	74 Å²	74	54%	0.537	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-42.7	178.4	0	0	0	0	0	112	R211 E212 G218 Q219	R211-A215 VanDerWaalsContact O-CB 3.3Å; R211-A215 WeakPolarHBondContact O-CB 3.3Å; R211-A215 PolarHBondContact O-N 3.34Å; E212-A215 PolarHBondContact O-N 3.02Å; A215-G218 PolarHBondContact O-N 3.22Å; A215-Q219 PolarHBondContact O-N 3.31Å
216	R	93.4	Very high	93.2	Very high	95 Å²	95	72.4 Å²	72.4	36%	0.358	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-45.8	174.6	-77	-174	-68.7	-108.6	-7.4	112.1	E212 G213 G218 Q219 Q220	E212-R216 VanDerWaalsContact CG-NH1 3.34Å; E212-R216 WeakPolarHBondContact O-CG 3.46Å; E212-R216 PolarHBondContact O-N 3.5Å; E212-R216 IonicContact OE1-CZ 3.93Å; E212-R216 IonicContact OE1-NH1 2.83Å; E212-R216 PolarHBondContact OE1-NH1 2.98Å; E212-R216 IonicContact OE2-CZ 3.53Å; E212-R216 IonicContact OE2-NH1 2.91Å; E212-R216 PolarHBondContact OE2-NH1 3.38Å; E212-R216 IonicContact OE2-NH2 3.27Å; E212-R216 PolarHBondContact OE2-NH2 2.92Å; G213-R216 PolarHBondContact O-N 2.9Å; R216-G218 VanDerWaalsContact C-N 3.35Å; R216-Q219 PolarHBondContact O-N 2.76Å; R216-Q220 WeakPolarHBondContact O-CG 3.4Å; R216-Q220 PolarHBondContact O-N 2.78Å
217	L	92.7	Very high	93.2	Very high	63 Å²	63	71.8 Å²	71.8	33%	0.33	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.8	-79.5	178.9	0	0	0	112.2	G213 A214 Q219 Q220 S221 L274 P277	G213-L217 PolarHBondContact O-N 3.36Å; G213-L217 VanDerWaalsContact O-N 3.17Å; A214-L217 PolarHBondContact O-N 2.99Å; L217-Q219 VanDerWaalsContact C-N 3.34Å; L217-Q219 PolarHBondContact O-N 3.31Å; L217-Q220 PolarHBondContact O-N 3.33Å; L217-S221 WeakPolarHBondContact O-CB 3.41Å; L217-S221 PolarHBondContact O-N 2.74Å; L217-L274 HydrophobicContact CD2-CD1 4.45Å; L217-P277 HydrophobicContact CD1-CB 4.49Å; L217-P277 HydrophobicContact CD1-CG 3.78Å; L217-P277 HydrophobicContact CG-CG 4.37Å
218	G	94.3	Very high	93.2	Very high	38 Å²	38	73.9 Å²	73.9	39%	0.392	41%	0.41	S	S	.	.	H	α-helix	trans	-59.1	-44.8	174	0	0	0	0	0	111.9	A214 A215 R216 S221 T222	A214-G218 PolarHBondContact O-N 2.82Å; A215-G218 PolarHBondContact O-N 3.22Å; R216-G218 VanDerWaalsContact C-N 3.35Å; G218-S221 PolarHBondContact O-N 2.94Å; G218-T222 WeakPolarHBondContact O-CG2 3.34Å; G218-T222 PolarHBondContact O-N 2.84Å; G218-T222 PolarHBondContact O-OG1 2.82Å
219	Q	94.2	Very high	93.2	Very high	116 Å²	116	73.9 Å²	73.9	54%	0.542	41%	0.411	S	S	.	.	H	α-helix	trans	-61.2	-46.2	175.2	-172.2	-178	9.8	0	0	111.6	A215 R216 L217 S221 T222 Q223	A215-Q219 PolarHBondContact O-N 3.31Å; R216-Q219 PolarHBondContact O-N 2.76Å; L217-Q219 VanDerWaalsContact C-N 3.34Å; L217-Q219 PolarHBondContact O-N 3.31Å; Q219-S221 VanDerWaalsContact C-N 3.33Å; Q219-S221 PolarHBondContact O-N 2.67Å; Q219-T222 PolarHBondContact O-N 2.97Å; Q219-T222 PolarHBondContact O-OG1 2.95Å; Q219-Q223 WeakPolarHBondContact O-CG 3.49Å; Q219-Q223 PolarHBondContact O-N 3.12Å
220	Q	93.2	Very high	93.1	Very high	32 Å²	32	70.4 Å²	70.4	15%	0.15	40%	0.4	C	S	.	.	H	α-helix	trans	-61.7	-41	176.5	-71	179.3	-54.4	0	0	112	R216 L217 Q223 L224 L274 Q275	R216-Q220 WeakPolarHBondContact O-CG 3.4Å; R216-Q220 PolarHBondContact O-N 2.78Å; L217-Q220 PolarHBondContact O-N 3.33Å; Q220-Q223 PolarHBondContact O-N 2.68Å; Q220-L224 WeakPolarHBondContact O-CB 3.29Å; Q220-L224 VanDerWaalsContact O-CG 3.24Å; Q220-L224 WeakPolarHBondContact O-CG 3.24Å; Q220-L224 PolarHBondContact O-N 2.85Å; Q220-L274 HydrophobicContact CB-CD1 4.26Å; Q220-Q275 VanDerWaalsContact NE2-N 3.11Å; Q220-Q275 PolarHBondContact OE1-O 3.02Å
221	S	94.5	Very high	92.9	Very high	74 Å²	74	70.2 Å²	70.2	52%	0.517	40%	0.399	S	S	.	.	H	α-helix	trans	-61.4	-44.2	176.5	-175.5	0	0	0	0	112	L217 G218 Q219 Q223 L224 A225	L217-S221 WeakPolarHBondContact O-CB 3.41Å; L217-S221 PolarHBondContact O-N 2.74Å; G218-S221 PolarHBondContact O-N 2.94Å; Q219-S221 VanDerWaalsContact C-N 3.33Å; Q219-S221 PolarHBondContact O-N 2.67Å; S221-Q223 PolarHBondContact O-N 3.03Å; S221-L224 PolarHBondContact O-N 2.84Å; S221-A225 WeakPolarHBondContact O-CB 3.21Å; S221-A225 PolarHBondContact O-N 2.69Å
222	T	94.7	Very high	92.8	Very high	92 Å²	92	67.7 Å²	67.7	56%	0.564	39%	0.394	S	S	*	.	H	α-helix	trans	-65.6	-38.1	176.1	58.1	0	0	0	0	112.9	G218 Q219 A225 A226	G218-T222 WeakPolarHBondContact O-CG2 3.34Å; G218-T222 PolarHBondContact O-N 2.84Å; G218-T222 PolarHBondContact O-OG1 2.82Å; Q219-T222 PolarHBondContact O-N 2.97Å; Q219-T222 PolarHBondContact O-OG1 2.95Å; T222-A225 PolarHBondContact O-N 3.25Å; T222-A226 WeakPolarHBondContact O-CB 3.33Å; T222-A226 PolarHBondContact O-N 2.83Å
223	Q	92	Very high	92.6	Very high	112 Å²	112	66.2 Å²	66.2	52%	0.523	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-42.9	173.9	-71.6	171.8	-3.7	0	0	111.7	Q219 Q220 S221 L227	Q219-Q223 WeakPolarHBondContact O-CG 3.49Å; Q219-Q223 PolarHBondContact O-N 3.12Å; Q220-Q223 PolarHBondContact O-N 2.68Å; S221-Q223 PolarHBondContact O-N 3.03Å; Q223-L227 WeakPolarHBondContact O-CB 3.28Å; Q223-L227 PolarHBondContact O-N 2.77Å
224	L	92.9	Very high	92.2	Very high	58 Å²	58	68 Å²	68	30%	0.304	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-47.3	175.3	-74.5	171.6	0	0	0	111.5	Q220 S221 A226 L227 I228 V272 L274	Q220-L224 WeakPolarHBondContact O-CB 3.29Å; Q220-L224 VanDerWaalsContact O-CG 3.24Å; Q220-L224 WeakPolarHBondContact O-CG 3.24Å; Q220-L224 PolarHBondContact O-N 2.85Å; S221-L224 PolarHBondContact O-N 2.84Å; L224-A226 VanDerWaalsContact C-N 3.34Å; L224-A226 PolarHBondContact O-N 2.69Å; L224-L227 PolarHBondContact O-N 3.17Å; L224-I228 WeakPolarHBondContact O-CB 3.49Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.26Å; L224-I228 PolarHBondContact O-N 2.78Å; L224-V272 HydrophobicContact CD2-CG1 3.35Å; L224-L274 HydrophobicContact CD1-CD1 4.27Å
225	A	94.5	Very high	91.8	Very high	50 Å²	50	69.9 Å²	69.9	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-60.1	-44	178.4	0	0	0	0	0	111.7	S221 T222 L227 I228 S229	S221-A225 WeakPolarHBondContact O-CB 3.21Å; S221-A225 PolarHBondContact O-N 2.69Å; T222-A225 PolarHBondContact O-N 3.25Å; A225-L227 PolarHBondContact O-N 3.45Å; A225-I228 PolarHBondContact O-N 2.78Å; A225-S229 PolarHBondContact O-N 2.54Å; A225-S229 PolarHBondContact O-OG 2.86Å
226	A	92	Very high	91.6	Very high	60 Å²	60	74.5 Å²	74.5	50%	0.496	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-42.9	176.1	0	0	0	0	0	112.1	T222 L224 S229 E230	T222-A226 WeakPolarHBondContact O-CB 3.33Å; T222-A226 PolarHBondContact O-N 2.83Å; L224-A226 VanDerWaalsContact C-N 3.34Å; L224-A226 PolarHBondContact O-N 2.69Å; A226-S229 PolarHBondContact O-N 3.39Å; A226-E230 VanDerWaalsContact O-CB 3.31Å; A226-E230 WeakPolarHBondContact O-CB 3.5Å; A226-E230 PolarHBondContact O-N 2.87Å
227	L	90.9	Very high	91.1	Very high	17 Å²	17	73.2 Å²	73.2	9%	0.089	42%	0.419	C	S	.	.	H	α-helix	trans	-66.2	-39.7	176.9	-172.4	63.4	0	0	0	111.8	Q223 L224 A225 E230 L231 R268 V269 V272	Q223-L227 WeakPolarHBondContact O-CB 3.28Å; Q223-L227 PolarHBondContact O-N 2.77Å; L224-L227 PolarHBondContact O-N 3.17Å; A225-L227 PolarHBondContact O-N 3.45Å; L227-E230 PolarHBondContact O-N 3.43Å; L227-L231 HydrophobicContact CG-CD1 4.34Å; L227-L231 VanDerWaalsContact O-CG 3.24Å; L227-L231 WeakPolarHBondContact O-CG 3.45Å; L227-L231 PolarHBondContact O-N 2.92Å; L227-R268 HydrophobicContact CD1-CB 4.34Å; L227-V269 HydrophobicContact CD1-CG2 4.29Å; L227-V269 HydrophobicContact CD2-CG2 3.81Å; L227-V269 HydrophobicContact CG-CG2 4.17Å; L227-V272 HydrophobicContact CD2-CG2 3.59Å
228	I	93.2	Very high	90.8	Very high	92 Å²	92	74.7 Å²	74.7	47%	0.472	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-52.2	174.6	-70.7	164.7	0	0	0	110	L224 A225 E230 L231 E232	L224-I228 WeakPolarHBondContact O-CB 3.49Å; L224-I228 VanDerWaalsContact O-CG1 3.25Å; L224-I228 WeakPolarHBondContact O-CG1 3.26Å; L224-I228 PolarHBondContact O-N 2.78Å; A225-I228 PolarHBondContact O-N 2.78Å; I228-E230 VanDerWaalsContact C-N 3.3Å; I228-E230 PolarHBondContact O-N 3.32Å; I228-L231 PolarHBondContact O-N 2.69Å; I228-L231 VanDerWaalsContact O-N 3.11Å; I228-E232 HydrophobicContact CG2-CG 4.18Å; I228-E232 WeakPolarHBondContact O-CB 3.34Å; I228-E232 WeakPolarHBondContact O-CG 3.39Å; I228-E232 PolarHBondContact O-N 3.2Å
229	S	93.9	Very high	90.2	Very high	70 Å²	70	76.4 Å²	76.4	49%	0.49	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-37.2	179.5	-63.4	0	0	0	0	112.8	A225 A226 S233	A225-S229 PolarHBondContact O-N 2.54Å; A225-S229 PolarHBondContact O-OG 2.86Å; A226-S229 PolarHBondContact O-N 3.39Å; S229-S233 WeakPolarHBondContact O-CB 3.47Å; S229-S233 PolarHBondContact O-N 3.3Å
230	E	89.3	Confident	89.4	Confident	48 Å²	48	76.7 Å²	76.7	22%	0.224	45%	0.447	C	S	.	.	H	α-helix	trans	-61	-44.6	173.5	179.9	-179.6	178	0	0	111.6	A226 L227 I228 R234 R268	A226-E230 VanDerWaalsContact O-CB 3.31Å; A226-E230 WeakPolarHBondContact O-CB 3.5Å; A226-E230 PolarHBondContact O-N 2.87Å; L227-E230 PolarHBondContact O-N 3.43Å; I228-E230 VanDerWaalsContact C-N 3.3Å; I228-E230 PolarHBondContact O-N 3.32Å; E230-R234 VanDerWaalsContact O-CG 3.23Å; E230-R234 WeakPolarHBondContact O-CG 3.29Å; E230-R234 PolarHBondContact O-N 2.92Å; E230-R234 VanDerWaalsContact O-N 3.15Å; E230-R234 IonicContact OE1-CZ 3.43Å; E230-R234 IonicContact OE1-NE 3.41Å; E230-R234 PolarHBondContact OE1-NE 2.72Å; E230-R234 IonicContact OE1-NH2 2.69Å; E230-R234 PolarHBondContact OE1-NH2 2.79Å; E230-R268 IonicContact OE1-CZ 3.9Å; E230-R268 IonicContact OE1-NH2 2.78Å; E230-R268 PolarHBondContact OE1-NH2 3.04Å; E230-R268 IonicContact OE2-CZ 3.24Å; E230-R268 VanDerWaalsContact OE2-CZ 3.24Å; E230-R268 IonicContact OE2-NH1 2.81Å; E230-R268 PolarHBondContact OE2-NH1 2.84Å; E230-R268 IonicContact OE2-NH2 2.8Å; E230-R268 PolarHBondContact OE2-NH2 3.45Å
231	L	88.1	Confident	88.5	Confident	53 Å²	53	76 Å²	76	28%	0.277	45%	0.449	S	S	.	.	H	α-helix	trans	-71.2	-40.5	178.6	-67.2	172.7	0	0	0	112.3	L227 I228 R234 C235 V269	L227-L231 HydrophobicContact CG-CD1 4.34Å; L227-L231 VanDerWaalsContact O-CG 3.24Å; L227-L231 WeakPolarHBondContact O-CG 3.45Å; L227-L231 PolarHBondContact O-N 2.92Å; I228-L231 PolarHBondContact O-N 2.69Å; I228-L231 VanDerWaalsContact O-N 3.11Å; L231-R234 PolarHBondContact O-N 2.75Å; L231-C235 WeakPolarHBondContact O-CB 3.4Å; L231-C235 PolarHBondContact O-N 3.12Å; L231-C235 PolarHBondContact O-SG 3.23Å; L231-V269 HydrophobicContact CD1-CG2 3.65Å
232	E	92.5	Very high	87.5	Confident	109 Å²	109	75.6 Å²	75.6	51%	0.509	44%	0.44	S	S	.	.	H	α-helix	trans	-60.5	-45	175.2	-74.7	177.7	152.6	0	0	111.5	I228 R234 C235 Q236	I228-E232 HydrophobicContact CG2-CG 4.18Å; I228-E232 WeakPolarHBondContact O-CB 3.34Å; I228-E232 WeakPolarHBondContact O-CG 3.39Å; I228-E232 PolarHBondContact O-N 3.2Å; E232-R234 VanDerWaalsContact C-N 3.33Å; E232-R234 PolarHBondContact O-N 3.17Å; E232-C235 PolarHBondContact O-N 3.19Å; E232-Q236 WeakPolarHBondContact O-CG 3.3Å; E232-Q236 PolarHBondContact O-N 3.16Å
233	S	89.2	Confident	86.3	Confident	76 Å²	76	75.7 Å²	75.7	53%	0.531	44%	0.437	S	S	.	.	H	α-helix	trans	-59.1	-44.2	175.1	176.4	0	0	0	0	111.5	S229 Q236	S229-S233 WeakPolarHBondContact O-CB 3.47Å; S229-S233 PolarHBondContact O-N 3.3Å; S233-Q236 PolarHBondContact O-N 2.75Å
234	R	83.6	Confident	85	Confident	45 Å²	45	73.7 Å²	73.7	17%	0.17	43%	0.428	C	S	.	.	H	α-helix	trans	-65.2	-39.3	177.5	-69.6	169.6	-172	-101.5	9.5	111.8	E230 L231 E232 Q236 L237 L242	E230-R234 VanDerWaalsContact O-CG 3.23Å; E230-R234 WeakPolarHBondContact O-CG 3.29Å; E230-R234 PolarHBondContact O-N 2.92Å; E230-R234 VanDerWaalsContact O-N 3.15Å; E230-R234 IonicContact OE1-CZ 3.43Å; E230-R234 IonicContact OE1-NE 3.41Å; E230-R234 PolarHBondContact OE1-NE 2.72Å; E230-R234 IonicContact OE1-NH2 2.69Å; E230-R234 PolarHBondContact OE1-NH2 2.79Å; L231-R234 PolarHBondContact O-N 2.75Å; E232-R234 VanDerWaalsContact C-N 3.33Å; E232-R234 PolarHBondContact O-N 3.17Å; R234-Q236 PolarHBondContact O-N 3.04Å; R234-L237 WeakPolarHBondContact O-CB 3.46Å; R234-L237 PolarHBondContact O-N 2.96Å; R234-L242 VanDerWaalsContact O-CD2 3.31Å; R234-L242 WeakPolarHBondContact O-CD2 3.28Å
235	C	84.5	Confident	83.3	Confident	102 Å²	102	72.7 Å²	72.7	69%	0.689	42%	0.423	S	S	*	.	H	α-helix	trans	-64.9	-21.6	177.6	-74.2	0	0	0	0	114.1	L231 E232	L231-C235 WeakPolarHBondContact O-CB 3.4Å; L231-C235 PolarHBondContact O-N 3.12Å; L231-C235 PolarHBondContact O-SG 3.23Å; E232-C235 PolarHBondContact O-N 3.19Å
236	Q	89.1	Confident	81.3	Confident	163 Å²	163	72.9 Å²	72.9	76%	0.762	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9	178.1	-69.1	177.4	18.7	0	0	113.7	E232 S233 R234	E232-Q236 WeakPolarHBondContact O-CG 3.3Å; E232-Q236 PolarHBondContact O-N 3.16Å; S233-Q236 PolarHBondContact O-N 2.75Å; R234-Q236 PolarHBondContact O-N 3.04Å
237	L	84.6	Confident	79.3	Confident	67 Å²	67	74.9 Å²	74.9	35%	0.351	42%	0.422	S	S	.	.	S	Bend	trans	-68.6	141.5	-179.7	-67.1	170.4	0	0	0	110.8	R234 L242 L245	R234-L237 WeakPolarHBondContact O-CB 3.46Å; R234-L237 PolarHBondContact O-N 2.96Å; L237-L242 HydrophobicContact CB-CG 4.09Å; L237-L242 WeakPolarHBondContact O-CD1 3.26Å; L237-L245 HydrophobicContact CD1-CD1 3.26Å
238	P	85.4	Confident	77.2	Confident	94 Å²	94	80.3 Å²	80.3	61%	0.61	45%	0.446	S	S	*	.			trans	-56.3	157.2	173.3	-22.8	32.4	0	0	0	111.5	L240 G241 L242	P238-L240 CarbonylContact O-C 3.58Å; P238-L240 PolarHBondContact O-N 3.43Å; P238-G241 WeakPolarHBondContact O-CA 2.97Å; P238-G241 PolarHBondContact O-N 3.33Å; P238-L242 PolarHBondContact O-N 3.36Å
239	A	81.9	Confident	74.9	Confident	75 Å²	75	78.1 Å²	78.1	62%	0.62	44%	0.439	S	S	*	.	H	α-helix	trans	-50.7	-38.4	179.8	0	0	0	0	0	113	L243	A239-L243 VanDerWaalsContact O-CB 3.25Å; A239-L243 WeakPolarHBondContact O-CB 3.28Å; A239-L243 VanDerWaalsContact O-CG 3.3Å; A239-L243 WeakPolarHBondContact O-CG 3.43Å; A239-L243 PolarHBondContact O-N 3.49Å
240	L	77.3	Confident	72.6	Confident	121 Å²	121	80.1 Å²	80.1	63%	0.634	45%	0.451	S	S	*	.	H	α-helix	trans	-66	-39.7	173.4	-174	68.2	0	0	0	112.5	P238 L243 Q244	P238-L240 CarbonylContact O-C 3.58Å; P238-L240 PolarHBondContact O-N 3.43Å; L240-L243 CarbonylContact O-C 3.5Å; L240-Q244 HydrophobicContact CD1-CG 4.26Å; L240-Q244 HydrophobicContact CG-CG 4.18Å; L240-Q244 WeakPolarHBondContact O-CA 3.28Å; L240-Q244 WeakPolarHBondContact O-CB 3.25Å; L240-Q244 WeakPolarHBondContact O-CG 3.34Å; L240-Q244 PolarHBondContact O-N 3.19Å
241	G	73.7	Confident	70.7	Confident	17 Å²	17	81.3 Å²	81.3	18%	0.175	47%	0.47	C	S	.	.	H	α-helix	trans	-70.6	-42.7	177.7	0	0	0	0	0	113.3	P238 L243 Q244 L245	P238-G241 WeakPolarHBondContact O-CA 2.97Å; P238-G241 PolarHBondContact O-N 3.33Å; G241-L243 VanDerWaalsContact C-N 3.31Å; G241-L243 PolarHBondContact O-N 2.93Å; G241-Q244 PolarHBondContact O-N 3.46Å; G241-L245 WeakPolarHBondContact O-CD1 3.33Å; G241-L245 WeakPolarHBondContact O-CG 3.39Å; G241-L245 PolarHBondContact O-N 3.19Å
242	L	73.2	Confident	68.4	Low	66 Å²	66	85.9 Å²	85.9	35%	0.346	49%	0.494	S	S	.	.	H	α-helix	trans	-57.6	-44	171.3	-88.6	165	0	0	0	111.6	R234 L237 P238	R234-L242 VanDerWaalsContact O-CD2 3.31Å; R234-L242 WeakPolarHBondContact O-CD2 3.28Å; L237-L242 HydrophobicContact CB-CG 4.09Å; L237-L242 WeakPolarHBondContact O-CD1 3.26Å; P238-L242 PolarHBondContact O-N 3.36Å
243	L	70	Confident	66.2	Low	95 Å²	95	90.4 Å²	90.4	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-82.8	-29.8	179.4	-68.9	174.9	0	0	0	112.8	A239 L240 G241 L245 C246 I247	A239-L243 VanDerWaalsContact O-CB 3.25Å; A239-L243 WeakPolarHBondContact O-CB 3.28Å; A239-L243 VanDerWaalsContact O-CG 3.3Å; A239-L243 WeakPolarHBondContact O-CG 3.43Å; A239-L243 PolarHBondContact O-N 3.49Å; L240-L243 CarbonylContact O-C 3.5Å; G241-L243 VanDerWaalsContact C-N 3.31Å; G241-L243 PolarHBondContact O-N 2.93Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 3.13Å; L243-C246 CarbonylContact O-C 3.02Å; L243-C246 VanDerWaalsContact O-C 3.31Å; L243-C246 VanDerWaalsContact O-CA 3.27Å; L243-C246 WeakPolarHBondContact O-CA 3.4Å; L243-C246 WeakPolarHBondContact O-CB 3.48Å; L243-C246 PolarHBondContact O-N 3.43Å; L243-I247 HydrophobicContact CB-CD1 3.79Å; L243-I247 HydrophobicContact CB-CG1 4.39Å; L243-I247 WeakPolarHBondContact O-CA 3.5Å; L243-I247 WeakPolarHBondContact O-CB 3.48Å; L243-I247 WeakPolarHBondContact O-CG1 3.34Å; L243-I247 PolarHBondContact O-N 3.42Å
244	Q	65.3	Low	64.1	Low	69 Å²	69	97.4 Å²	97.4	32%	0.322	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-41	172.9	-95.5	173.7	-52.8	0	0	109.9	L240 G241 C246 I247 E248	L240-Q244 HydrophobicContact CD1-CG 4.26Å; L240-Q244 HydrophobicContact CG-CG 4.18Å; L240-Q244 WeakPolarHBondContact O-CA 3.28Å; L240-Q244 WeakPolarHBondContact O-CB 3.25Å; L240-Q244 WeakPolarHBondContact O-CG 3.34Å; L240-Q244 PolarHBondContact O-N 3.19Å; G241-Q244 PolarHBondContact O-N 3.46Å; Q244-C246 PolarHBondContact O-N 2.93Å; Q244-C246 VanDerWaalsContact O-N 3.13Å; Q244-I247 PolarHBondContact O-N 2.91Å; Q244-I247 VanDerWaalsContact O-N 3.12Å; Q244-E248 HydrophobicContact CB-CG 4.36Å; Q244-E248 HydrophobicContact CG-CG 4.01Å; Q244-E248 PolarHBondContact NE2-OE1 2.76Å; Q244-E248 WeakPolarHBondContact O-CB 3.39Å; Q244-E248 PolarHBondContact O-N 3.07Å
245	L	56.3	Low	62	Low	38 Å²	38	104.1 Å²	104.1	20%	0.199	56%	0.563	C	S	.	*	H	α-helix	trans	-54.8	-27.4	168	-77	161.4	0	0	0	112.8	L237 G241 L243 C249 I258 I262	L237-L245 HydrophobicContact CD1-CD1 3.26Å; G241-L245 WeakPolarHBondContact O-CD1 3.33Å; G241-L245 WeakPolarHBondContact O-CG 3.39Å; G241-L245 PolarHBondContact O-N 3.19Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 3.13Å; L245-C249 PolarHBondContact O-SG 3.08Å; L245-I258 HydrophobicContact CD2-CG2 3.64Å; L245-I262 HydrophobicContact CB-CD1 3.47Å; L245-I262 VanDerWaalsContact CB-CD1 3.47Å; L245-I262 HydrophobicContact CB-CG1 4.34Å; L245-I262 HydrophobicContact CD1-CD1 4.13Å; L245-I262 HydrophobicContact CG-CD1 4.34Å
246	C	53.9	Low	60.3	Low	54 Å²	54	103.7 Å²	103.7	37%	0.365	57%	0.567	S	S	.	*	H	α-helix	trans	-94.6	-28.6	174.3	-68	0	0	0	0	114.3	L243 Q244 C250	L243-C246 CarbonylContact O-C 3.02Å; L243-C246 VanDerWaalsContact O-C 3.31Å; L243-C246 VanDerWaalsContact O-CA 3.27Å; L243-C246 WeakPolarHBondContact O-CA 3.4Å; L243-C246 WeakPolarHBondContact O-CB 3.48Å; L243-C246 PolarHBondContact O-N 3.43Å; Q244-C246 PolarHBondContact O-N 2.93Å; Q244-C246 VanDerWaalsContact O-N 3.13Å; C246-C250 PolarHBondContact O-SG 2.83Å; C246-C250 VanDerWaalsContact O-SG 3.38Å
247	I	49.6	Very low	58.5	Low	102 Å²	102	99.4 Å²	99.4	52%	0.523	56%	0.555	S	S	.	*	H	α-helix	trans	-108.2	-39.7	-162.3	-67.4	175.3	0	0	0	112.3	L243 Q244 C249 C250	L243-I247 HydrophobicContact CB-CD1 3.79Å; L243-I247 HydrophobicContact CB-CG1 4.39Å; L243-I247 WeakPolarHBondContact O-CA 3.5Å; L243-I247 WeakPolarHBondContact O-CB 3.48Å; L243-I247 WeakPolarHBondContact O-CG1 3.34Å; L243-I247 PolarHBondContact O-N 3.42Å; Q244-I247 PolarHBondContact O-N 2.91Å; Q244-I247 VanDerWaalsContact O-N 3.12Å; I247-C249 PolarHBondContact O-N 3.35Å; I247-C249 VanDerWaalsContact O-N 3.11Å; I247-C250 PolarHBondContact O-N 2.89Å; I247-C250 VanDerWaalsContact O-N 3.08Å
248	E	45.6	Very low	56.8	Low	130 Å²	130	100.1 Å²	100.1	61%	0.607	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-16.9	172.9	-78.9	178	169.5	0	0	111.8	Q244	Q244-E248 HydrophobicContact CB-CG 4.36Å; Q244-E248 HydrophobicContact CG-CG 4.01Å; Q244-E248 PolarHBondContact NE2-OE1 2.76Å; Q244-E248 WeakPolarHBondContact O-CB 3.39Å; Q244-E248 PolarHBondContact O-N 3.07Å
249	C	44.9	Very low	55.2	Low	47 Å²	47	97.5 Å²	97.5	32%	0.318	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-17.3	176.9	-58.1	0	0	0	0	114.8	L245 I247 A259	L245-C249 PolarHBondContact O-SG 3.08Å; I247-C249 PolarHBondContact O-N 3.35Å; I247-C249 VanDerWaalsContact O-N 3.11Å; C249-A259 HydrophobicContact CB-CB 3.15Å; C249-A259 VanDerWaalsContact SG-CB 3.54Å; C249-A259 PolarHBondContact SG-N 3.23Å
250	C	46.7	Very low	54.1	Low	111 Å²	111	99.8 Å²	99.8	75%	0.75	54%	0.54	S	S	*	.	S	Bend	trans	-90.4	-8	180	-67.4	0	0	0	0	112.3	C246 I247	C246-C250 PolarHBondContact O-SG 2.83Å; C246-C250 VanDerWaalsContact O-SG 3.38Å; I247-C250 PolarHBondContact O-N 2.89Å; I247-C250 VanDerWaalsContact O-N 3.08Å
251	A	48.8	Very low	53.6	Low	74 Å²	74	97.1 Å²	97.1	61%	0.612	53%	0.526	S	S	*	.	S	Bend	trans	-105.4	-17	-163.2	0	0	0	0	0	116.6
252	L	41.3	Very low	53.5	Low	148 Å²	148	97.9 Å²	97.9	78%	0.775	53%	0.526	S	S	*	.			trans	-139.7	119.7	177.3	-81	121.1	0	0	0	111.8	R254	L252-R254 PolarHBondContact O-N 3.27Å
253	E	45.3	Very low	53.6	Low	204 Å²	204	101.6 Å²	101.6	95%	0.953	54%	0.54	S	S	*	.	S	Bend	trans	-65.8	24.6	-176	-63.6	-178.5	142.7	0	0	115.4
254	R	45.8	Very low	54.1	Low	223 Å²	223	100.2 Å²	100.2	84%	0.842	53%	0.533	S	S	*	.	S	Bend	trans	-136.4	117.2	175.2	-63	-179.2	96.8	113.6	-3.1	107.9	L252	L252-R254 PolarHBondContact O-N 3.27Å
255	E	38.8	Very low	54.8	Low	186 Å²	186	97 Å²	97	87%	0.869	52%	0.518	S	S	*	.			trans	86.4	69.7	177.5	-58	173.5	173.7	0	0	115.3	S257	E255-S257 PolarHBondContact O-N 3.34Å
256	A	49.4	Very low	56	Low	94 Å²	94	99.7 Å²	99.7	78%	0.777	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	37.3	171.3	0	0	0	0	0	115.6
257	S	50.6	Low	57.4	Low	72 Å²	72	99.4 Å²	99.4	50%	0.503	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-41.5	-170.2	-171.3	0	0	0	0	113.3	E255 D261	E255-S257 PolarHBondContact O-N 3.34Å; S257-D261 VanDerWaalsContact O-CG 3.27Å
258	I	49	Very low	59.1	Low	83 Å²	83	99.8 Å²	99.8	43%	0.426	53%	0.525	S	S	.	.	H	α-helix	trans	-99.4	-39.3	-157.9	-57	173.6	0	0	0	116	L245 K260 D261	L245-I258 HydrophobicContact CD2-CG2 3.64Å; I258-K260 PolarHBondContact O-N 3.48Å; I258-D261 WeakPolarHBondContact CA-OD2 3.44Å; I258-D261 WeakPolarHBondContact O-CA 3.4Å; I258-D261 WeakPolarHBondContact O-CB 3.23Å; I258-D261 PolarHBondContact O-N 2.97Å
259	A	51.5	Low	61	Low	38 Å²	38	96.5 Å²	96.5	31%	0.314	51%	0.514	S	S	.	.	H	α-helix	trans	-70	-23.9	173.6	0	0	0	0	0	111.4	C249 D261 K263	C249-A259 HydrophobicContact CB-CB 3.15Å; C249-A259 VanDerWaalsContact SG-CB 3.54Å; C249-A259 PolarHBondContact SG-N 3.23Å; A259-D261 PolarHBondContact O-N 2.9Å; A259-K263 PolarHBondContact O-N 3.35Å
260	K	59.7	Low	62.9	Low	124 Å²	124	101.8 Å²	101.8	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-58.5	-36.3	164.7	-169.6	175	177.4	-173.5	0	110.4	I258 K263 D264	I258-K260 PolarHBondContact O-N 3.48Å; K260-K263 PolarHBondContact O-N 3.43Å; K260-D264 WeakPolarHBondContact CE-OD2 3.32Å; K260-D264 VanDerWaalsContact CG-OD2 3.32Å; K260-D264 WeakPolarHBondContact CG-OD2 3.23Å; K260-D264 WeakPolarHBondContact O-CB 3.39Å; K260-D264 PolarHBondContact O-N 2.97Å
261	D	66.3	Low	64.6	Low	64 Å²	64	102.5 Å²	102.5	34%	0.342	53%	0.53	S	S	.	.	H	α-helix	trans	-66.6	-42.5	-178.1	-62.5	-31	0	0	0	115	S257 I258 A259 A265	S257-D261 VanDerWaalsContact O-CG 3.27Å; I258-D261 WeakPolarHBondContact CA-OD2 3.44Å; I258-D261 WeakPolarHBondContact O-CA 3.4Å; I258-D261 WeakPolarHBondContact O-CB 3.23Å; I258-D261 PolarHBondContact O-N 2.97Å; A259-D261 PolarHBondContact O-N 2.9Å; D261-A265 WeakPolarHBondContact O-CB 3.46Å; D261-A265 PolarHBondContact O-N 3.03Å
262	I	72.5	Confident	66.4	Low	34 Å²	34	102.1 Å²	102.1	17%	0.174	52%	0.52	C	S	.	.	H	α-helix	trans	-67.6	-46	176.3	-72	178.3	0	0	0	110.2	L245 D264 A265 L266	L245-I262 HydrophobicContact CB-CD1 3.47Å; L245-I262 VanDerWaalsContact CB-CD1 3.47Å; L245-I262 HydrophobicContact CB-CG1 4.34Å; L245-I262 HydrophobicContact CD1-CD1 4.13Å; L245-I262 HydrophobicContact CG-CD1 4.34Å; I262-D264 VanDerWaalsContact C-N 3.32Å; I262-D264 PolarHBondContact O-N 2.87Å; I262-A265 PolarHBondContact O-N 2.89Å; I262-L266 HydrophobicContact CG2-CD1 4.05Å; I262-L266 WeakPolarHBondContact O-CG 3.38Å; I262-L266 PolarHBondContact O-N 2.94Å
263	K	73.9	Confident	68.4	Low	144 Å²	144	103.1 Å²	103.1	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-62.2	-43.8	179.8	-173.2	177.9	178.6	-178.7	0	110.7	A259 K260 L266 C267	A259-K263 PolarHBondContact O-N 3.35Å; K260-K263 PolarHBondContact O-N 3.43Å; K263-L266 PolarHBondContact O-N 2.95Å; K263-C267 WeakPolarHBondContact O-CB 3.15Å; K263-C267 PolarHBondContact O-N 3.38Å; K263-C267 PolarHBondContact O-SG 3.38Å
264	D	80.4	Confident	70.4	Confident	65 Å²	65	98.9 Å²	98.9	35%	0.348	50%	0.501	S	S	.	.	H	α-helix	trans	-65.2	-38	177.7	-72.8	2.4	0	0	0	111.4	K260 I262 C267 R268	K260-D264 WeakPolarHBondContact CE-OD2 3.32Å; K260-D264 VanDerWaalsContact CG-OD2 3.32Å; K260-D264 WeakPolarHBondContact CG-OD2 3.23Å; K260-D264 WeakPolarHBondContact O-CB 3.39Å; K260-D264 PolarHBondContact O-N 2.97Å; I262-D264 VanDerWaalsContact C-N 3.32Å; I262-D264 PolarHBondContact O-N 2.87Å; D264-C267 PolarHBondContact O-N 3.29Å; D264-R268 WeakPolarHBondContact O-CB 3.36Å; D264-R268 WeakPolarHBondContact O-CG 3.47Å; D264-R268 PolarHBondContact O-N 2.93Å
265	A	81.1	Confident	72.3	Confident	1 Å²	1	94.5 Å²	94.5	1%	0.008	49%	0.491	C	S	.	.	H	α-helix	trans	-62.1	-45.7	172.2	0	0	0	0	0	112.1	D261 I262 R268 V269	D261-A265 WeakPolarHBondContact O-CB 3.46Å; D261-A265 PolarHBondContact O-N 3.03Å; I262-A265 PolarHBondContact O-N 2.89Å; A265-R268 WeakPolarHBondContact O-CB 3.2Å; A265-R268 PolarHBondContact O-N 3.34Å; A265-V269 WeakPolarHBondContact O-CG2 3.49Å; A265-V269 PolarHBondContact O-N 2.85Å
266	L	81.9	Confident	74.5	Confident	95 Å²	95	90.9 Å²	90.9	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-65.9	-37.1	176.4	-70.5	172.7	0	0	0	112.6	I262 K263 V269 Q270	I262-L266 HydrophobicContact CG2-CD1 4.05Å; I262-L266 WeakPolarHBondContact O-CG 3.38Å; I262-L266 PolarHBondContact O-N 2.94Å; K263-L266 PolarHBondContact O-N 2.95Å; L266-V269 WeakPolarHBondContact O-CB 3.36Å; L266-V269 PolarHBondContact O-N 2.96Å; L266-Q270 PolarHBondContact O-N 3.35Å
267	C	83.3	Confident	76.2	Confident	49 Å²	49	89 Å²	89	33%	0.331	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-45.1	172.1	-72.9	0	0	0	0	111	K263 D264 V269 Q270 D271	K263-C267 WeakPolarHBondContact O-CB 3.15Å; K263-C267 PolarHBondContact O-N 3.38Å; K263-C267 PolarHBondContact O-SG 3.38Å; D264-C267 PolarHBondContact O-N 3.29Å; C267-V269 PolarHBondContact O-N 3.49Å; C267-Q270 PolarHBondContact O-N 2.96Å; C267-D271 PolarHBondContact O-N 3.4Å
268	R	84.7	Confident	77.8	Confident	110 Å²	110	89.1 Å²	89.1	42%	0.415	47%	0.468	S	S	.	.	H	α-helix	trans	-56.8	-37.7	174.1	-77.5	-175.2	-71.3	141.4	-2.6	112.4	L227 E230 D264 A265 D271 V272	L227-R268 HydrophobicContact CD1-CB 4.34Å; E230-R268 IonicContact OE1-CZ 3.9Å; E230-R268 IonicContact OE1-NH2 2.78Å; E230-R268 PolarHBondContact OE1-NH2 3.04Å; E230-R268 IonicContact OE2-CZ 3.24Å; E230-R268 VanDerWaalsContact OE2-CZ 3.24Å; E230-R268 IonicContact OE2-NH1 2.81Å; E230-R268 PolarHBondContact OE2-NH1 2.84Å; E230-R268 IonicContact OE2-NH2 2.8Å; E230-R268 PolarHBondContact OE2-NH2 3.45Å; D264-R268 WeakPolarHBondContact O-CB 3.36Å; D264-R268 WeakPolarHBondContact O-CG 3.47Å; D264-R268 PolarHBondContact O-N 2.93Å; A265-R268 WeakPolarHBondContact O-CB 3.2Å; A265-R268 PolarHBondContact O-N 3.34Å; R268-D271 PolarHBondContact O-N 3.39Å; R268-V272 WeakPolarHBondContact O-CG2 3.27Å; R268-V272 PolarHBondContact O-N 2.8Å; R268-V272 VanDerWaalsContact O-N 3.11Å
269	V	86	Confident	79.4	Confident	61 Å²	61	91.7 Å²	91.7	37%	0.37	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-43.9	174.3	174.7	0	0	0	0	111.8	L227 L231 A265 L266 C267 D271 V272	L227-V269 HydrophobicContact CD1-CG2 4.29Å; L227-V269 HydrophobicContact CD2-CG2 3.81Å; L227-V269 HydrophobicContact CG-CG2 4.17Å; L231-V269 HydrophobicContact CD1-CG2 3.65Å; A265-V269 WeakPolarHBondContact O-CG2 3.49Å; A265-V269 PolarHBondContact O-N 2.85Å; L266-V269 WeakPolarHBondContact O-CB 3.36Å; L266-V269 PolarHBondContact O-N 2.96Å; C267-V269 PolarHBondContact O-N 3.49Å; V269-D271 VanDerWaalsContact C-N 3.26Å; V269-D271 PolarHBondContact O-N 3.47Å; V269-V272 PolarHBondContact O-N 2.95Å
270	Q	83.5	Confident	80.9	Confident	157 Å²	157	90.7 Å²	90.7	73%	0.734	48%	0.477	S	S	*	.	H	α-helix	trans	-66.6	-30.4	179	-67.4	178.8	4.5	0	0	112.3	L266 C267	L266-Q270 PolarHBondContact O-N 3.35Å; C267-Q270 PolarHBondContact O-N 2.96Å
271	D	82.3	Confident	81.9	Confident	126 Å²	126	88.5 Å²	88.5	67%	0.674	48%	0.476	S	S	*	.	H	α-helix	trans	-86.1	-9.4	-179.9	-69.9	-32.7	0	0	0	113.9	C267 R268 V269 K273	C267-D271 PolarHBondContact O-N 3.4Å; R268-D271 PolarHBondContact O-N 3.39Å; V269-D271 VanDerWaalsContact C-N 3.26Å; V269-D271 PolarHBondContact O-N 3.47Å; D271-K273 PolarHBondContact O-N 3.33Å
272	V	86.6	Confident	82.5	Confident	67 Å²	67	90.6 Å²	90.6	41%	0.406	49%	0.485	S	S	.	.			trans	-66.5	110	176.4	170.1	0	0	0	0	109.8	L224 L227 R268 V269	L224-V272 HydrophobicContact CD2-CG1 3.35Å; L227-V272 HydrophobicContact CD2-CG2 3.59Å; R268-V272 WeakPolarHBondContact O-CG2 3.27Å; R268-V272 PolarHBondContact O-N 2.8Å; R268-V272 VanDerWaalsContact O-N 3.11Å; V269-V272 PolarHBondContact O-N 2.95Å
273	K	83.5	Confident	82.7	Confident	169 Å²	169	93.3 Å²	93.3	74%	0.735	50%	0.497	S	S	*	.			trans	-121.6	114.4	169.1	-66.6	-178.5	-176.7	175.9	0	109.2	D271 Q275	D271-K273 PolarHBondContact O-N 3.33Å; K273-Q275 PolarHBondContact O-N 3.17Å
274	L	87.1	Confident	83	Confident	114 Å²	114	90.2 Å²	90.2	60%	0.597	49%	0.487	S	S	*	.			trans	-65.5	128.1	170.5	-169.6	70.9	0	0	0	108.4	L217 Q220 L224	L217-L274 HydrophobicContact CD2-CD1 4.45Å; Q220-L274 HydrophobicContact CB-CD1 4.26Å; L224-L274 HydrophobicContact CD1-CD1 4.27Å
275	Q	86.4	Confident	83.1	Confident	132 Å²	132	94 Å²	94	62%	0.617	50%	0.496	S	S	*	.			trans	-105.1	114.1	175.9	-64.3	-175.2	8	0	0	107.5	Q220 K273	Q220-Q275 VanDerWaalsContact NE2-N 3.11Å; Q220-Q275 PolarHBondContact OE1-O 3.02Å; K273-Q275 PolarHBondContact O-N 3.17Å
276	P	85.2	Confident	83.3	Confident	109 Å²	109	95.1 Å²	95.1	71%	0.708	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-62.4	146.2	172.5	27.6	-32.9	0	0	0	109.3
277	P	83.9	Confident	83.4	Confident	56 Å²	56	94.5 Å²	94.5	36%	0.364	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-62.6	149.1	174.3	28.7	-34.1	0	0	0	109.1	L217 V279	L217-P277 HydrophobicContact CD1-CB 4.49Å; L217-P277 HydrophobicContact CD1-CG 3.78Å; L217-P277 HydrophobicContact CG-CG 4.37Å; P277-V279 PolarHBondContact O-N 2.93Å
278	A	84.7	Confident	83.6	Confident	73 Å²	73	94.5 Å²	94.5	60%	0.603	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-57.1	135.7	170.5	0	0	0	0	0	109.6	V280	A278-V280 PolarHBondContact O-N 2.91Å; A278-V280 VanDerWaalsContact O-N 3.15Å
279	V	83.4	Confident	83.7	Confident	137 Å²	137	94.5 Å²	94.5	83%	0.83	50%	0.503	S	S	*	.			trans	-65.5	115.6	174.1	-178.4	0	0	0	0	107.8	P277	P277-V279 PolarHBondContact O-N 2.93Å
280	V	83.5	Confident	83.8	Confident	17 Å²	17	95.3 Å²	95.3	10%	0.103	51%	0.508	C	S	.	.			trans	-94.3	123.2	172	-175.7	0	0	0	0	106.6	V206 R209 L210 A278 M282	V206-V280 HydrophobicContact CG1-CG1 3.86Å; R209-V280 HydrophobicContact CB-CG1 4.45Å; R209-V280 HydrophobicContact CB-CG2 4.04Å; L210-V280 HydrophobicContact CD2-CB 3.74Å; L210-V280 HydrophobicContact CD2-CG1 4.18Å; L210-V280 HydrophobicContact CD2-CG2 3.96Å; L210-V280 HydrophobicContact CG-CG1 4.46Å; A278-V280 PolarHBondContact O-N 2.91Å; A278-V280 VanDerWaalsContact O-N 3.15Å; V280-M282 WeakPolarHBondContact O-CG 3.48Å; V280-M282 PolarHBondContact O-N 3.47Å
281	P	79.5	Confident	84.1	Confident	79 Å²	79	90.6 Å²	90.6	51%	0.513	49%	0.491	S	S	.	.			trans	-54.1	125.7	171	-24.7	34.8	0	0	0	109.7	E283	P281-E283 WeakPolarHBondContact CA-OE2 3.11Å; P281-E283 VanDerWaalsContact CB-OE2 3.27Å; P281-E283 WeakPolarHBondContact CB-OE2 3.34Å
282	M	78.8	Confident	84.5	Confident	107 Å²	107	86.1 Å²	86.1	53%	0.527	47%	0.474	S	S	.	.			trans	-104.9	3.8	-177.7	-66.7	-60.9	-66.4	0	0	111.9	V206 L210 V280	V206-M282 HydrophobicContact CG1-SD 4.3Å; L210-M282 HydrophobicContact CD1-CE 3.67Å; L210-M282 HydrophobicContact CD1-SD 3.55Å; L210-M282 VanDerWaalsContact CD1-SD 3.55Å; L210-M282 HydrophobicContact CD2-SD 3.62Å; L210-M282 HydrophobicContact CG-SD 4.11Å; V280-M282 WeakPolarHBondContact O-CG 3.48Å; V280-M282 PolarHBondContact O-N 3.47Å
283	E	76.6	Confident	84.8	Confident	92 Å²	92	85.2 Å²	85.2	43%	0.43	47%	0.467	S	S	.	.			trans	-71.7	125	175.3	-58.6	78.3	-169	0	0	110.1	P281 R285 P411	P281-E283 WeakPolarHBondContact CA-OE2 3.11Å; P281-E283 VanDerWaalsContact CB-OE2 3.27Å; P281-E283 WeakPolarHBondContact CB-OE2 3.34Å; E283-R285 PolarHBondContact O-N 3Å; E283-P411 HydrophobicContact CG-CB 3.95Å; E283-P411 HydrophobicContact CG-CG 3.98Å
284	L	80	Confident	85.2	Confident	78 Å²	78	77.4 Å²	77.4	41%	0.408	43%	0.434	S	S	.	.			trans	-65.5	129.7	168.8	-70	174.7	0	0	0	109.1	L199	L199-L284 HydrophobicContact CD2-CD1 4.37Å; L199-L284 HydrophobicContact CD2-CD2 4.26Å
285	R	82.8	Confident	85.5	Confident	146 Å²	146	76.3 Å²	76.3	55%	0.551	43%	0.425	S	S	*	.	S	Bend	trans	-82.3	-31.3	176.4	-63	173.1	-70	-172.9	-1.4	110.9	E202 E205 E283 V287	E202-R285 WeakPolarHBondContact OE2-CB 3.44Å; E202-R285 PolarHBondContact OE2-N 3.33Å; E202-R285 IonicContact OE2-NE 3.53Å; E205-R285 IonicContact OE1-CZ 3.93Å; E205-R285 IonicContact OE1-NH1 3.39Å; E205-R285 PolarHBondContact OE1-NH1 3.43Å; E205-R285 IonicContact OE1-NH2 3.7Å; E205-R285 IonicContact OE2-CZ 3.39Å; E205-R285 IonicContact OE2-NH1 3.18Å; E205-R285 PolarHBondContact OE2-NH1 3.27Å; E205-R285 IonicContact OE2-NH2 2.67Å; E205-R285 PolarHBondContact OE2-NH2 3.5Å; E283-R285 PolarHBondContact O-N 3Å; R285-V287 PolarHBondContact O-N 2.93Å
286	T	86.3	Confident	85.9	Confident	23 Å²	23	72.8 Å²	72.8	14%	0.141	41%	0.413	C	S	.	.	S	Bend	trans	-78.7	116.8	177.4	-66.2	0	0	0	0	110.7	L195 K198 L199 E202 C288	L195-T286 HydrophobicContact CD2-CG2 4.11Å; K198-T286 HydrophobicContact CB-CG2 4.01Å; K198-T286 WeakPolarHBondContact CB-OG1 3.43Å; K198-T286 HydrophobicContact CD-CG2 4.17Å; L199-T286 HydrophobicContact CD2-CG2 4.45Å; E202-T286 WeakPolarHBondContact OE1-CA 3.39Å; E202-T286 WeakPolarHBondContact OE1-CB 3.49Å; E202-T286 PolarHBondContact OE1-N 3.35Å; E202-T286 PolarHBondContact OE1-OG1 3.18Å; T286-C288 PolarHBondContact O-N 3.39Å
287	V	83.9	Confident	86.4	Confident	82 Å²	82	68 Å²	68	50%	0.497	38%	0.381	S	S	.	.			trans	-82.1	109.7	168.9	-180	0	0	0	0	108.6	R285 R289 D437	R285-V287 PolarHBondContact O-N 2.93Å; V287-R289 PolarHBondContact O-N 2.91Å; V287-D437 WeakPolarHBondContact CG1-OD2 3.22Å
288	C	86.2	Confident	86.9	Confident	50 Å²	50	69.6 Å²	69.6	34%	0.338	38%	0.38	S	S	.	.			trans	-77.2	93	177.8	-62.4	0	0	0	0	110.6	T286	T286-C288 PolarHBondContact O-N 3.39Å
289	R	86.9	Confident	87.4	Confident	110 Å²	110	75.7 Å²	75.7	42%	0.415	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-112	127.3	177.4	179.9	-165.8	177.4	162.4	-1	110.3	L195 V287 P291 D437	L195-R289 WeakPolarHBondContact CD1-O 3.48Å; V287-R289 PolarHBondContact O-N 2.91Å; R289-P291 WeakPolarHBondContact O-CD 3.46Å; R289-D437 WeakPolarHBondContact CD-O 3.42Å; R289-D437 PolarHBondContact NE-O 3.49Å; R289-D437 PolarHBondContact NH1-O 2.97Å
290	V	89.3	Confident	88	Confident	78 Å²	78	71.7 Å²	71.7	47%	0.473	36%	0.359	S	S	.	.			trans	-88.1	118.3	168.6	-178.1	0	0	0	0	109.3	G292 L293	V290-G292 PolarHBondContact O-N 3.37Å; V290-L293 HydrophobicContact CB-CB 3.87Å; V290-L293 HydrophobicContact CB-CD2 3.95Å; V290-L293 HydrophobicContact CG1-CB 4.02Å; V290-L293 HydrophobicContact CG2-CD2 4.3Å; V290-L293 WeakPolarHBondContact O-CB 3.23Å; V290-L293 PolarHBondContact O-N 2.97Å
291	P	88.5	Confident	88.5	Confident	58 Å²	58	73.3 Å²	73.3	38%	0.377	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	133.2	-179.5	-24.8	34.5	0	0	0	112.6	E191 R289 L293	E191-P291 HydrophobicContact CG-CG 3.87Å; R289-P291 WeakPolarHBondContact O-CD 3.46Å; P291-L293 PolarHBondContact O-N 3.24Å
292	G	90.7	Very high	88.9	Confident	32 Å²	32	70.8 Å²	70.8	33%	0.33	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-2.5	176.7	0	0	0	0	0	115.3	V290 E295 T296	V290-G292 PolarHBondContact O-N 3.37Å; G292-E295 WeakPolarHBondContact CA-OE2 3.47Å; G292-T296 WeakPolarHBondContact O-CB 3.38Å; G292-T296 PolarHBondContact O-N 3.04Å; G292-T296 PolarHBondContact O-OG1 3.35Å
293	L	92.9	Very high	89.5	Confident	47 Å²	47	69.3 Å²	69.3	25%	0.246	35%	0.346	C	S	.	.	H	α-helix	trans	-63.9	-56.6	-176.4	178.5	60.1	0	0	0	110.9	V290 P291 E295 T296 L297 Y433	V290-L293 HydrophobicContact CB-CB 3.87Å; V290-L293 HydrophobicContact CB-CD2 3.95Å; V290-L293 HydrophobicContact CG1-CB 4.02Å; V290-L293 HydrophobicContact CG2-CD2 4.3Å; V290-L293 WeakPolarHBondContact O-CB 3.23Å; V290-L293 PolarHBondContact O-N 2.97Å; P291-L293 PolarHBondContact O-N 3.24Å; L293-E295 VanDerWaalsContact C-N 3.27Å; L293-E295 PolarHBondContact O-N 2.92Å; L293-T296 CarbonylContact O-C 3.52Å; L293-T296 WeakPolarHBondContact O-CA 3.09Å; L293-T296 WeakPolarHBondContact O-CB 3.14Å; L293-T296 PolarHBondContact O-N 3.17Å; L293-L297 HydrophobicContact CD1-CD1 4.44Å; L293-L297 HydrophobicContact CD1-CD2 4.33Å; L293-L297 HydrophobicContact CD1-CG 4.22Å; L293-L297 HydrophobicContact CG-CD1 4.23Å; L293-L297 HydrophobicContact CG-CG 4.39Å; L293-L297 WeakPolarHBondContact O-CG 3.28Å; L293-L297 PolarHBondContact O-N 2.95Å; L293-Y433 HydrophobicContact CD2-CD1 4.39Å; L293-Y433 HydrophobicContact CD2-CE1 3.59Å; L293-Y433 HydrophobicContact CG-CE1 4.41Å
294	V	92.4	Very high	90.4	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-38.8	179.7	172.8	0	0	0	0	111.4	T296 L297 R298	V294-T296 VanDerWaalsContact C-N 3.27Å; V294-T296 PolarHBondContact O-N 3.09Å; V294-L297 PolarHBondContact O-N 2.98Å; V294-R298 HydrophobicContact CG1-CG 4.44Å; V294-R298 WeakPolarHBondContact O-CB 3.42Å; V294-R298 VanDerWaalsContact O-CG 3.24Å; V294-R298 WeakPolarHBondContact O-CG 3.36Å; V294-R298 PolarHBondContact O-N 3.46Å
295	E	93.1	Very high	91.2	Very high	90 Å²	90	63.2 Å²	63.2	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-35.8	174.7	-65.2	74.8	-164.7	0	0	112.2	G292 L293	G292-E295 WeakPolarHBondContact CA-OE2 3.47Å; L293-E295 VanDerWaalsContact C-N 3.27Å; L293-E295 PolarHBondContact O-N 2.92Å
296	T	94.9	Very high	91.9	Very high	58 Å²	58	56.2 Å²	56.2	36%	0.356	29%	0.292	S	S	.	.	H	α-helix	trans	-71.4	-43.2	174.1	-58	0	0	0	0	111.3	G292 L293 V294 R298 R299	G292-T296 WeakPolarHBondContact O-CB 3.38Å; G292-T296 PolarHBondContact O-N 3.04Å; G292-T296 PolarHBondContact O-OG1 3.35Å; L293-T296 CarbonylContact O-C 3.52Å; L293-T296 WeakPolarHBondContact O-CA 3.09Å; L293-T296 WeakPolarHBondContact O-CB 3.14Å; L293-T296 PolarHBondContact O-N 3.17Å; V294-T296 VanDerWaalsContact C-N 3.27Å; V294-T296 PolarHBondContact O-N 3.09Å; T296-R298 VanDerWaalsContact C-N 3.28Å; T296-R298 PolarHBondContact O-N 3.41Å; T296-R299 VanDerWaalsContact O-CB 3.24Å; T296-R299 WeakPolarHBondContact O-CB 3.19Å; T296-R299 VanDerWaalsContact O-CG 3.29Å; T296-R299 WeakPolarHBondContact O-CG 3.21Å; T296-R299 PolarHBondContact O-N 3.42Å; T296-R299 VanDerWaalsContact O-N 3.12Å
297	L	95.8	Very high	92.4	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-34.9	177.8	-62.1	-178.6	0	0	0	112	L293 V294 R299 F300 Y358 F422 Y433	L293-L297 HydrophobicContact CD1-CD1 4.44Å; L293-L297 HydrophobicContact CD1-CD2 4.33Å; L293-L297 HydrophobicContact CD1-CG 4.22Å; L293-L297 HydrophobicContact CG-CD1 4.23Å; L293-L297 HydrophobicContact CG-CG 4.39Å; L293-L297 WeakPolarHBondContact O-CG 3.28Å; L293-L297 PolarHBondContact O-N 2.95Å; V294-L297 PolarHBondContact O-N 2.98Å; L297-R299 PolarHBondContact O-N 3.34Å; L297-F300 WeakPolarHBondContact O-CB 3.35Å; L297-F300 PolarHBondContact O-N 3.49Å; L297-Y358 HydrophobicContact CB-CD2 3.8Å; L297-Y358 HydrophobicContact CB-CE2 3.99Å; L297-Y358 HydrophobicContact CB-CG 4.15Å; L297-Y358 HydrophobicContact CD1-CD2 4.44Å; L297-Y358 HydrophobicContact CD1-CE2 4.25Å; L297-Y358 WeakPolarHBondContact O-CB 3.38Å; L297-F422 HydrophobicContact CD1-CB 4.15Å; L297-F422 HydrophobicContact CD1-CG 4.37Å; L297-F422 HydrophobicContact CD2-CB 4.42Å; L297-F422 HydrophobicContact CD2-CD1 3.9Å; L297-F422 HydrophobicContact CD2-CD2 3.77Å; L297-F422 HydrophobicContact CD2-CE1 4.07Å; L297-F422 HydrophobicContact CD2-CE2 3.93Å; L297-F422 HydrophobicContact CD2-CG 3.75Å; L297-F422 HydrophobicContact CD2-CZ 4.08Å; L297-Y433 HydrophobicContact CD1-CD2 3.79Å; L297-Y433 HydrophobicContact CD1-CE1 4.29Å; L297-Y433 HydrophobicContact CD1-CE2 3.4Å; L297-Y433 VanDerWaalsContact CD1-CE2 3.4Å; L297-Y433 HydrophobicContact CD1-CG 4.39Å
298	R	94.8	Very high	93	Very high	89 Å²	89	53.5 Å²	53.5	34%	0.336	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-59.3	-17	174.9	-76.8	174.7	178.2	164.4	6.2	114.2	V294 T296 F300 R301 Y358 E360	V294-R298 HydrophobicContact CG1-CG 4.44Å; V294-R298 WeakPolarHBondContact O-CB 3.42Å; V294-R298 VanDerWaalsContact O-CG 3.24Å; V294-R298 WeakPolarHBondContact O-CG 3.36Å; V294-R298 PolarHBondContact O-N 3.46Å; T296-R298 VanDerWaalsContact C-N 3.28Å; T296-R298 PolarHBondContact O-N 3.41Å; R298-F300 PolarHBondContact O-N 2.92Å; R298-R301 VanDerWaalsContact O-CB 3.23Å; R298-R301 WeakPolarHBondContact O-CB 3.38Å; R298-R301 PolarHBondContact O-N 3.39Å; R298-Y358 HydrophobicContact CG-CD1 4.21Å; R298-Y358 HydrophobicContact CG-CE1 3.68Å; R298-E360 IonicContact CZ-OE1 3.53Å; R298-E360 IonicContact NE-OE1 3.96Å; R298-E360 PolarHBondContact NE-OE1 3.45Å; R298-E360 IonicContact NH2-OE1 2.85Å; R298-E360 PolarHBondContact NH2-OE1 3.28Å
299	R	94.9	Very high	93.5	Very high	200 Å²	200	55.4 Å²	55.4	76%	0.755	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-66.5	-21.6	171.4	-60.6	176.9	-178	-177.1	1	112.8	T296 L297	T296-R299 VanDerWaalsContact O-CB 3.24Å; T296-R299 WeakPolarHBondContact O-CB 3.19Å; T296-R299 VanDerWaalsContact O-CG 3.29Å; T296-R299 WeakPolarHBondContact O-CG 3.21Å; T296-R299 PolarHBondContact O-N 3.42Å; T296-R299 VanDerWaalsContact O-N 3.12Å; L297-R299 PolarHBondContact O-N 3.34Å
300	F	95.8	Very high	93.9	Very high	54 Å²	54	50.2 Å²	50.2	24%	0.237	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-99.4	16.6	176.8	-51.7	-69.6	0	0	0	112.2	L297 R298 G302 R356 Y358 F422	L297-F300 WeakPolarHBondContact O-CB 3.35Å; L297-F300 PolarHBondContact O-N 3.49Å; R298-F300 PolarHBondContact O-N 2.92Å; F300-G302 PolarHBondContact O-N 3.46Å; F300-R356 HydrophobicContact CB-CB 4.33Å; F300-R356 HydrophobicContact CD1-CB 3.64Å; F300-R356 HydrophobicContact CD2-CB 4.44Å; F300-R356 HydrophobicContact CE1-CB 4.04Å; F300-R356 VanDerWaalsContact CE1-CZ 3.46Å; F300-R356 HydrophobicContact CG-CB 3.87Å; F300-R356 VanDerWaalsContact CZ-CZ 3.48Å; F300-Y358 PolarHBondContact O-N 3.46Å; F300-F422 HydrophobicContact CB-CE2 4.38Å; F300-F422 AromaticContact CD2-CE2 3.74Å; F300-F422 HydrophobicContact CD2-CE2 3.74Å; F300-F422 HydrophobicContact CD2-CZ 4.43Å; F300-F422 HydrophobicContact CE2-CE2 4.38Å; F300-F422 HydrophobicContact CG-CE2 4.21Å
301	R	94	Very high	94.3	Very high	50 Å²	50	46.6 Å²	46.6	19%	0.189	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-64.1	118.4	-176.2	-171	-175.9	-69	-115	2.5	110.6	R298 Y358 E360 L472	R298-R301 VanDerWaalsContact O-CB 3.23Å; R298-R301 WeakPolarHBondContact O-CB 3.38Å; R298-R301 PolarHBondContact O-N 3.39Å; R301-Y358 CarbonylContact C-O 3.56Å; R301-Y358 VanDerWaalsContact CA-O 3.23Å; R301-Y358 WeakPolarHBondContact CA-O 3.5Å; R301-Y358 HydrophobicContact CB-CD1 4.39Å; R301-E360 IonicContact CZ-OE1 3.45Å; R301-E360 IonicContact CZ-OE2 2.72Å; R301-E360 IonicContact NH1-OE2 3.21Å; R301-E360 PolarHBondContact NH1-OE2 3.05Å; R301-E360 IonicContact NH2-OE1 2.76Å; R301-E360 PolarHBondContact NH2-OE1 2.95Å; R301-E360 IonicContact NH2-OE2 2.87Å; R301-E360 PolarHBondContact NH2-OE2 2.83Å; R301-L472 HydrophobicContact CB-CD2 4.11Å; R301-L472 HydrophobicContact CG-CD2 3.96Å; R301-L472 HydrophobicContact CG-CG 4.03Å
302	G	88.9	Confident	94.6	Very high	26 Å²	26	44 Å²	44	27%	0.268	22%	0.224	S	C	.	.			trans	-94.8	155.8	173.3	0	0	0	0	0	111.9	F300 Y358	F300-G302 PolarHBondContact O-N 3.46Å; G302-Y358 PolarHBondContact N-O 2.9Å
303	D	91	Very high	94.8	Very high	76 Å²	76	42.8 Å²	42.8	41%	0.406	21%	0.21	S	C	.	.			trans	-87.7	113.9	169	-161.3	24.8	0	0	0	109.2	R322 E350 L472	D303-R322 IonicContact OD1-CZ 3.97Å; D303-R322 IonicContact OD1-NH1 3.36Å; D303-R322 PolarHBondContact OD1-NH1 2.85Å; D303-R322 IonicContact OD1-NH2 3.07Å; D303-R322 PolarHBondContact OD1-NH2 3.08Å; D303-R322 IonicContact OD2-NH2 3.03Å; D303-R322 PolarHBondContact OD2-NH2 3.48Å; D303-E350 WeakPolarHBondContact O-CG 3.43Å; D303-L472 HydrophobicContact CB-CD1 3.69Å
304	I	94.5	Very high	94.9	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.041	21%	0.211	C	C	.	.			trans	-113.6	133.3	-177	-66.6	175.1	0	0	0	110.1	E350 W359 P455 F457 I469	I304-E350 VanDerWaalsContact CA-CD 3.44Å; I304-E350 WeakPolarHBondContact CA-OE1 3.04Å; I304-E350 WeakPolarHBondContact CA-OE2 3.33Å; I304-E350 HydrophobicContact CG1-CG 4.18Å; I304-E350 WeakPolarHBondContact CG2-OE2 3.49Å; I304-W359 HydrophobicContact CD1-CB 3.51Å; I304-W359 HydrophobicContact CD1-CD2 3.29Å; I304-W359 HydrophobicContact CD1-CE3 3.51Å; I304-W359 HydrophobicContact CD1-CG 3.32Å; I304-W359 HydrophobicContact CD1-CZ3 4.33Å; I304-W359 HydrophobicContact CG1-CB 4.41Å; I304-P455 HydrophobicContact CD1-CB 4.38Å; I304-P455 HydrophobicContact CD1-CG 3.81Å; I304-P455 HydrophobicContact CG2-CB 4.34Å; I304-P455 HydrophobicContact CG2-CG 4.26Å; I304-F457 HydrophobicContact CG2-CE2 4.07Å; I304-F457 HydrophobicContact CG2-CZ 3.75Å; I304-I469 HydrophobicContact CB-CG2 4.16Å; I304-I469 HydrophobicContact CG2-CD1 4.01Å; I304-I469 HydrophobicContact CG2-CG2 4.48Å; I304-I469 WeakPolarHBondContact O-CG2 3.38Å
305	T	97	Very high	95.1	Very high	34 Å²	34	43.1 Å²	43.1	21%	0.209	21%	0.21	C	C	.	.			trans	-128.8	150	177.5	56	0	0	0	0	109.8	G348 Q349 E350	T305-G348 CarbonylContact O-C 3.54Å; T305-G348 WeakPolarHBondContact O-CA 3.49Å; T305-Q349 PolarHBondContact O-N 2.95Å; T305-E350 PolarHBondContact N-OE1 3.49Å; T305-E350 PolarHBondContact N-OE2 3.26Å; T305-E350 VanDerWaalsContact N-OE2 3.17Å; T305-E350 PolarHBondContact OG1-OE1 2.87Å
306	L	98.1	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-78.2	142.6	-178.9	-60.3	173.1	0	0	0	110.8	P308 L317 R321 V324 V346 F457 I469	L306-P308 VanDerWaalsContact O-CD 3.32Å; L306-P308 WeakPolarHBondContact O-CD 3.32Å; L306-L317 HydrophobicContact CB-CD1 4.33Å; L306-L317 HydrophobicContact CD1-CD2 3.79Å; L306-R321 HydrophobicContact CB-CB 4.43Å; L306-R321 WeakPolarHBondContact CB-O 3.36Å; L306-R321 WeakPolarHBondContact CG-O 3.15Å; L306-R321 PolarHBondContact N-O 3.42Å; L306-R321 WeakPolarHBondContact O-CD 3.48Å; L306-V324 HydrophobicContact CD1-CB 3.72Å; L306-V324 HydrophobicContact CD1-CG1 3.97Å; L306-V346 HydrophobicContact CB-CG2 4.28Å; L306-V346 HydrophobicContact CD2-CG1 3.94Å; L306-V346 HydrophobicContact CD2-CG2 4.37Å; L306-F457 HydrophobicContact CD2-CB 4.35Å; L306-F457 HydrophobicContact CD2-CD2 3.31Å; L306-F457 HydrophobicContact CD2-CE2 3.7Å; L306-F457 HydrophobicContact CD2-CG 3.91Å; L306-I469 HydrophobicContact CD1-CD1 4.45Å; L306-I469 HydrophobicContact CD2-CD1 3.61Å; L306-I469 HydrophobicContact CG-CD1 3.71Å
307	D	97.2	Very high	95.3	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	20%	0.197	C	C	.	.			trans	-95.6	103.9	177.2	-173.5	-18.2	0	0	0	110	D309 T310 L347 Q349 R454	D307-D309 PolarHBondContact O-N 3.42Å; D307-D309 PolarHBondContact OD1-N 3.48Å; D307-D309 VanDerWaalsContact OD1-N 3.16Å; D307-T310 HydrophobicContact CB-CG2 4Å; D307-T310 PolarHBondContact O-N 3.3Å; D307-T310 VanDerWaalsContact O-N 3.12Å; D307-T310 PolarHBondContact O-OG1 2.82Å; D307-L347 WeakPolarHBondContact CB-O 3.32Å; D307-L347 PolarHBondContact N-O 3.46Å; D307-Q349 VanDerWaalsContact CG-OE1 3.29Å; D307-R454 IonicContact OD2-CZ 2.76Å; D307-R454 IonicContact OD2-NH1 3.51Å; D307-R454 IonicContact OD2-NH2 2.99Å; D307-R454 PolarHBondContact OD2-NH2 2.94Å
308	P	96.6	Very high	95.3	Very high	37 Å²	37	41.5 Å²	41.5	24%	0.24	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.8	-175.7	-21.5	35.3	0	0	0	114.2	L306 T310 A311 L317 R321 R339	L306-P308 VanDerWaalsContact O-CD 3.32Å; L306-P308 WeakPolarHBondContact O-CD 3.32Å; P308-T310 PolarHBondContact O-N 3.09Å; P308-A311 PolarHBondContact O-N 3.37Å; P308-L317 HydrophobicContact CB-CD1 3.93Å; P308-L317 HydrophobicContact CG-CD1 4.01Å; P308-R321 HydrophobicContact CG-CG 4.43Å; P308-R339 PolarHBondContact O-NH1 3.45Å
309	D	95.7	Very high	95.3	Very high	90 Å²	90	46.7 Å²	46.7	48%	0.481	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.1	180	-66.8	-36.6	0	0	0	111.4	D307 N336 R339	D307-D309 PolarHBondContact O-N 3.42Å; D307-D309 PolarHBondContact OD1-N 3.48Å; D307-D309 VanDerWaalsContact OD1-N 3.16Å; D309-N336 PolarHBondContact O-ND2 2.94Å; D309-N336 VanDerWaalsContact O-ND2 3.08Å; D309-N336 PolarHBondContact O-OD1 3.37Å; D309-R339 WeakPolarHBondContact O-CA 3.36Å; D309-R339 WeakPolarHBondContact O-CB 3.39Å
310	T	96.2	Very high	95.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.3	177	71.7	0	0	0	0	113.9	D307 P308 N312 E338 F340 L347	D307-T310 HydrophobicContact CB-CG2 4Å; D307-T310 PolarHBondContact O-N 3.3Å; D307-T310 VanDerWaalsContact O-N 3.12Å; D307-T310 PolarHBondContact O-OG1 2.82Å; P308-T310 PolarHBondContact O-N 3.09Å; T310-N312 PolarHBondContact O-N 2.81Å; T310-E338 WeakPolarHBondContact CA-O 3.31Å; T310-E338 HydrophobicContact CG2-CB 4.41Å; T310-F340 WeakPolarHBondContact O-CD2 3.29Å; T310-F340 PolarHBondContact O-N 2.76Å; T310-L347 HydrophobicContact CG2-CB 4.18Å; T310-L347 HydrophobicContact CG2-CD1 4.16Å; T310-L347 HydrophobicContact CG2-CG 4.38Å; T310-L347 PolarHBondContact OG1-N 3.01Å
311	A	96.4	Very high	95.4	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	23%	0.225	C	C	.	.	S	Bend	trans	-66.4	129.9	-169.8	0	0	0	0	0	112.8	P308 L317 R339 V346	P308-A311 PolarHBondContact O-N 3.37Å; A311-L317 HydrophobicContact CB-CD1 4.03Å; A311-L317 HydrophobicContact CB-CG 4.4Å; A311-R339 WeakPolarHBondContact O-CD 3.48Å; A311-R339 WeakPolarHBondContact O-CG 3.38Å; A311-R339 PolarHBondContact O-NH1 3.16Å; A311-V346 HydrophobicContact CB-CB 3.96Å; A311-V346 HydrophobicContact CB-CG2 3.63Å
312	N	95.6	Very high	95.5	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	22%	0.221	C	C	.	.			trans	-56.9	140.7	171.7	-177.8	-82.6	0	0	0	111.1	T310 E314 L315 F340 D341 G343 C345	T310-N312 PolarHBondContact O-N 2.81Å; N312-E314 PolarHBondContact O-N 3.2Å; N312-E314 WeakPolarHBondContact OD1-CB 3.39Å; N312-E314 WeakPolarHBondContact OD1-CG 3.24Å; N312-E314 PolarHBondContact OD1-N 2.89Å; N312-L315 HydrophobicContact CB-CD1 4.3Å; N312-L315 HydrophobicContact CB-CG 4.29Å; N312-L315 VanDerWaalsContact O-CB 3.3Å; N312-L315 WeakPolarHBondContact O-CB 3.41Å; N312-L315 PolarHBondContact O-N 2.86Å; N312-F340 VanDerWaalsContact CA-O 3.26Å; N312-F340 WeakPolarHBondContact CA-O 3.35Å; N312-F340 HydrophobicContact CB-CB 4.2Å; N312-F340 WeakPolarHBondContact CB-O 3.39Å; N312-F340 PolarHBondContact ND2-O 3.07Å; N312-D341 PolarHBondContact ND2-O 3.27Å; N312-G343 WeakPolarHBondContact CB-O 3.47Å; N312-G343 VanDerWaalsContact CG-O 3.26Å; N312-G343 PolarHBondContact ND2-O 2.82Å; N312-G343 VanDerWaalsContact ND2-O 3.1Å; N312-C345 PolarHBondContact N-O 3.49Å
313	P	95.8	Very high	95.9	Very high	8 Å²	8	42 Å²	42	5%	0.052	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16	-176.9	-25.3	34.7	0	0	0	116.2	R330 Q331	P313-R330 HydrophobicContact CB-CG 3.7Å; P313-Q331 WeakPolarHBondContact O-CB 3.43Å; P313-Q331 PolarHBondContact O-N 3.46Å; P313-Q331 PolarHBondContact O-NE2 3.1Å
314	E	95	Very high	96.2	Very high	57 Å²	57	38.5 Å²	38.5	27%	0.266	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.9	171.4	-62.4	-178.4	-171.7	0	0	113.3	N312 R326 G327 R330	N312-E314 PolarHBondContact O-N 3.2Å; N312-E314 WeakPolarHBondContact OD1-CB 3.39Å; N312-E314 WeakPolarHBondContact OD1-CG 3.24Å; N312-E314 PolarHBondContact OD1-N 2.89Å; E314-R326 HydrophobicContact CB-CG 4.45Å; E314-R326 IonicContact OE2-CZ 3.22Å; E314-R326 IonicContact OE2-NE 2.92Å; E314-R326 PolarHBondContact OE2-NE 2.88Å; E314-R326 IonicContact OE2-NH2 2.69Å; E314-R326 PolarHBondContact OE2-NH2 2.97Å; E314-G327 PolarHBondContact O-N 3.42Å; E314-R330 HydrophobicContact CG-CB 4.3Å; E314-R330 HydrophobicContact CG-CG 4.11Å
315	L	96.1	Very high	96.2	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.1	-177.2	-64.4	-178.3	0	0	0	112.2	N312 V324 Q325 R326 Q331 P344 C345 V346 P459	N312-L315 HydrophobicContact CB-CD1 4.3Å; N312-L315 HydrophobicContact CB-CG 4.29Å; N312-L315 VanDerWaalsContact O-CB 3.3Å; N312-L315 WeakPolarHBondContact O-CB 3.41Å; N312-L315 PolarHBondContact O-N 2.86Å; L315-V324 HydrophobicContact CB-CG2 3.91Å; L315-V324 HydrophobicContact CD1-CG2 3.92Å; L315-V324 HydrophobicContact CD2-CG2 3.88Å; L315-V324 HydrophobicContact CG-CG2 4.14Å; L315-Q325 CarbonylContact C-O 3.54Å; L315-Q325 WeakPolarHBondContact CA-O 3.46Å; L315-R326 HydrophobicContact CD2-CB 4.32Å; L315-Q331 PolarHBondContact O-NE2 3.33Å; L315-P344 HydrophobicContact CD2-CB 3.72Å; L315-P344 HydrophobicContact CG-CB 4.21Å; L315-C345 VanDerWaalsContact CD1-C 3.4Å; L315-C345 WeakPolarHBondContact CD1-O 3.4Å; L315-V346 HydrophobicContact CD1-CB 3.86Å; L315-V346 HydrophobicContact CD1-CG1 3.96Å; L315-P459 HydrophobicContact CD2-CG 3.62Å
316	V	95.4	Very high	96	Very high	48 Å²	48	43.7 Å²	43.7	29%	0.291	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.1	172.5	-176.6	0	0	0	0	108.4	V324 Q325	V316-V324 WeakPolarHBondContact O-CA 3.47Å; V316-Q325 HydrophobicContact CB-CG 3.99Å; V316-Q325 PolarHBondContact N-O 3.24Å; V316-Q325 PolarHBondContact O-N 3.33Å
317	L	96.3	Very high	95.7	Very high	40 Å²	40	44.6 Å²	44.6	21%	0.209	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.5	177.5	-55.6	-173.6	0	0	0	110.5	L306 P308 A311 S323 V324 V346	L306-L317 HydrophobicContact CB-CD1 4.33Å; L306-L317 HydrophobicContact CD1-CD2 3.79Å; P308-L317 HydrophobicContact CB-CD1 3.93Å; P308-L317 HydrophobicContact CG-CD1 4.01Å; A311-L317 HydrophobicContact CB-CD1 4.03Å; A311-L317 HydrophobicContact CB-CG 4.4Å; L317-S323 WeakPolarHBondContact CA-O 3.45Å; L317-V324 HydrophobicContact CD2-CB 3.65Å; L317-V324 HydrophobicContact CD2-CG2 3.54Å; L317-V346 HydrophobicContact CD2-CG2 4.43Å
318	S	95.9	Very high	95.2	Very high	36 Å²	36	53.1 Å²	53.1	25%	0.252	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-68.2	156.3	167.5	59.3	0	0	0	0	111.3	D320 R321 R322 S323	S318-D320 VanDerWaalsContact C-N 3.26Å; S318-D320 WeakPolarHBondContact CB-OD1 3.46Å; S318-D320 PolarHBondContact O-N 2.82Å; S318-D320 PolarHBondContact OG-OD1 3.42Å; S318-R321 WeakPolarHBondContact O-CA 3.41Å; S318-R321 PolarHBondContact O-N 2.97Å; S318-R322 PolarHBondContact OG-N 3.23Å; S318-S323 PolarHBondContact N-O 3.46Å; S318-S323 WeakPolarHBondContact OG-CB 3.41Å; S318-S323 PolarHBondContact OG-N 2.82Å; S318-S323 PolarHBondContact OG-O 3.49Å
319	E	95.7	Very high	94.8	Very high	198 Å²	198	59 Å²	59	93%	0.925	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-37	179.3	-173.5	178.6	-177.6	0	0	112.7	R321	E319-R321 PolarHBondContact O-N 2.89Å
320	D	94.9	Very high	94.6	Very high	63 Å²	63	62.4 Å²	62.4	34%	0.337	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	0.9	176.2	76.3	-20.2	0	0	0	113.7	S318 R322 R471	S318-D320 VanDerWaalsContact C-N 3.26Å; S318-D320 WeakPolarHBondContact CB-OD1 3.46Å; S318-D320 PolarHBondContact O-N 2.82Å; S318-D320 PolarHBondContact OG-OD1 3.42Å; D320-R322 PolarHBondContact O-N 3.01Å; D320-R322 PolarHBondContact OD1-N 2.97Å; D320-R471 IonicContact OD2-CZ 3.56Å; D320-R471 IonicContact OD2-NE 2.94Å; D320-R471 IonicContact OD2-NH2 3.27Å; D320-R471 PolarHBondContact OD2-NH2 3.17Å
321	R	96.9	Very high	94.4	Very high	121 Å²	121	65.9 Å²	65.9	46%	0.457	31%	0.31	S	S	.	.	S	Bend	trans	55.9	30.2	-179.6	-52.5	-178.2	-175.2	-168.3	-0.9	113.8	L306 P308 S318 E319	L306-R321 HydrophobicContact CB-CB 4.43Å; L306-R321 WeakPolarHBondContact CB-O 3.36Å; L306-R321 WeakPolarHBondContact CG-O 3.15Å; L306-R321 PolarHBondContact N-O 3.42Å; L306-R321 WeakPolarHBondContact O-CD 3.48Å; P308-R321 HydrophobicContact CG-CG 4.43Å; S318-R321 WeakPolarHBondContact O-CA 3.41Å; S318-R321 PolarHBondContact O-N 2.97Å; E319-R321 PolarHBondContact O-N 2.89Å
322	R	96.2	Very high	94.3	Very high	28 Å²	28	71.1 Å²	71.1	11%	0.106	35%	0.354	C	S	.	.			trans	-109.4	-19	177.8	-69.8	-176.4	-177	-97.1	-0.1	113.9	D303 S318 D320 T468 I469	D303-R322 IonicContact OD1-CZ 3.97Å; D303-R322 IonicContact OD1-NH1 3.36Å; D303-R322 PolarHBondContact OD1-NH1 2.85Å; D303-R322 IonicContact OD1-NH2 3.07Å; D303-R322 PolarHBondContact OD1-NH2 3.08Å; D303-R322 IonicContact OD2-NH2 3.03Å; D303-R322 PolarHBondContact OD2-NH2 3.48Å; S318-R322 PolarHBondContact OG-N 3.23Å; D320-R322 PolarHBondContact O-N 3.01Å; D320-R322 PolarHBondContact OD1-N 2.97Å; R322-T468 CarbonylContact O-C 3.36Å; R322-T468 WeakPolarHBondContact O-CA 3.33Å; R322-I469 PolarHBondContact O-N 3.14Å
323	S	96.8	Very high	94.1	Very high	20 Å²	20	74.4 Å²	74.4	14%	0.14	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.5	-176.8	-50.4	0	0	0	0	110.6	L317 S318 M467 T468	L317-S323 WeakPolarHBondContact CA-O 3.45Å; S318-S323 PolarHBondContact N-O 3.46Å; S318-S323 WeakPolarHBondContact OG-CB 3.41Å; S318-S323 PolarHBondContact OG-N 2.82Å; S318-S323 PolarHBondContact OG-O 3.49Å; S323-M467 CarbonylContact C-O 3.57Å; S323-M467 VanDerWaalsContact CA-O 3.23Å; S323-M467 WeakPolarHBondContact CA-O 3.39Å; S323-T468 WeakPolarHBondContact CB-OG1 3.48Å; S323-T468 WeakPolarHBondContact OG-CG2 3.09Å; S323-T468 PolarHBondContact OG-OG1 3.44Å
324	V	96.7	Very high	93.9	Very high	2 Å²	2	78.7 Å²	78.7	1%	0.012	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.7	176.7	57.3	0	0	0	0	110.5	L306 L315 V316 L317 V346 F457 P459 M467	L306-V324 HydrophobicContact CD1-CB 3.72Å; L306-V324 HydrophobicContact CD1-CG1 3.97Å; L315-V324 HydrophobicContact CB-CG2 3.91Å; L315-V324 HydrophobicContact CD1-CG2 3.92Å; L315-V324 HydrophobicContact CD2-CG2 3.88Å; L315-V324 HydrophobicContact CG-CG2 4.14Å; V316-V324 WeakPolarHBondContact O-CA 3.47Å; L317-V324 HydrophobicContact CD2-CB 3.65Å; L317-V324 HydrophobicContact CD2-CG2 3.54Å; V324-V346 HydrophobicContact CB-CG1 4.38Å; V324-V346 HydrophobicContact CG1-CG1 4.24Å; V324-V346 HydrophobicContact CG2-CG1 4.03Å; V324-F457 HydrophobicContact CG1-CB 4.42Å; V324-P459 HydrophobicContact CG1-CG 4.35Å; V324-P459 HydrophobicContact CG2-CG 4.05Å; V324-M467 HydrophobicContact CG1-CB 4.1Å; V324-M467 HydrophobicContact CG1-CG 4.48Å; V324-M467 HydrophobicContact CG1-SD 4.31Å; V324-M467 PolarHBondContact N-O 3.39Å; V324-M467 PolarHBondContact O-N 3.05Å
325	Q	95.1	Very high	93.7	Very high	71 Å²	71	81.5 Å²	81.5	33%	0.332	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.2	174.9	63.6	-173.6	17.4	0	0	110.2	L315 V316 G327 P466	L315-Q325 CarbonylContact C-O 3.54Å; L315-Q325 WeakPolarHBondContact CA-O 3.46Å; V316-Q325 HydrophobicContact CB-CG 3.99Å; V316-Q325 PolarHBondContact N-O 3.24Å; V316-Q325 PolarHBondContact O-N 3.33Å; Q325-G327 PolarHBondContact O-N 3.28Å; Q325-P466 HydrophobicContact CB-CB 4.1Å
326	R	93.8	Very high	93.6	Very high	79 Å²	79	82.9 Å²	82.9	30%	0.298	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.6	172.1	-167.5	174	-173.6	-168.8	-2.8	109.3	E314 L315 P344 L460 S462	E314-R326 HydrophobicContact CB-CG 4.45Å; E314-R326 IonicContact OE2-CZ 3.22Å; E314-R326 IonicContact OE2-NE 2.92Å; E314-R326 PolarHBondContact OE2-NE 2.88Å; E314-R326 IonicContact OE2-NH2 2.69Å; E314-R326 PolarHBondContact OE2-NH2 2.97Å; L315-R326 HydrophobicContact CD2-CB 4.32Å; R326-P344 HydrophobicContact CG-CB 4.34Å; R326-L460 PolarHBondContact NH1-O 3.35Å; R326-S462 PolarHBondContact O-OG 3.43Å
327	G	90.4	Very high	93.4	Very high	20 Å²	20	86 Å²	86	21%	0.206	44%	0.444	C	S	.	.			trans	-71.9	162.4	177.8	0	0	0	0	0	112.3	E314 Q325 Q329	E314-G327 PolarHBondContact O-N 3.42Å; Q325-G327 PolarHBondContact O-N 3.28Å; G327-Q329 VanDerWaalsContact C-N 3.31Å
328	E	88.2	Confident	93.2	Very high	188 Å²	188	89 Å²	89	88%	0.879	46%	0.457	S	S	*	.	S	Bend	trans	-70.7	-29.3	175.5	-62.5	-175.8	169.1	0	0	112.5
329	Q	87.8	Confident	93.2	Very high	162 Å²	162	87.7 Å²	87.7	76%	0.757	45%	0.447	S	S	*	.	S	Bend	trans	-123.2	142	-177.7	-63.4	-173.4	4	0	0	111	G327 Q331	G327-Q329 VanDerWaalsContact C-N 3.31Å; Q329-Q331 PolarHBondContact O-N 3.2Å
330	R	91.7	Very high	93.1	Very high	160 Å²	160	78.4 Å²	78.4	60%	0.604	40%	0.403	S	S	*	.			trans	-69.7	125.9	173.5	-166.4	176.8	-173.9	-159.1	0.1	109.7	P313 E314	P313-R330 HydrophobicContact CB-CG 3.7Å; E314-R330 HydrophobicContact CG-CB 4.3Å; E314-R330 HydrophobicContact CG-CG 4.11Å
331	Q	92.6	Very high	92.9	Very high	74 Å²	74	77.8 Å²	77.8	35%	0.346	40%	0.4	S	S	.	.			trans	-74.5	149.3	179.7	-67.8	166.9	92.4	0	0	112	P313 L315 Q329 L333	P313-Q331 WeakPolarHBondContact O-CB 3.43Å; P313-Q331 PolarHBondContact O-N 3.46Å; P313-Q331 PolarHBondContact O-NE2 3.1Å; L315-Q331 PolarHBondContact O-NE2 3.33Å; Q329-Q331 PolarHBondContact O-N 3.2Å; Q331-L333 VanDerWaalsContact C-N 3.27Å; Q331-L333 HydrophobicContact CB-CD1 4.32Å; Q331-L333 HydrophobicContact CB-CG 3.96Å; Q331-L333 PolarHBondContact O-N 3.32Å
332	A	92.9	Very high	92.3	Very high	113 Å²	113	73.8 Å²	73.8	93%	0.934	39%	0.39	S	S	*	.			trans	-82.2	69.5	173.9	0	0	0	0	0	111
333	L	91.5	Very high	91.8	Very high	72 Å²	72	74.2 Å²	74.2	38%	0.377	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-95.3	149.4	177.1	-64.1	177.8	0	0	0	111.3	Q331	Q331-L333 VanDerWaalsContact C-N 3.27Å; Q331-L333 HydrophobicContact CB-CD1 4.32Å; Q331-L333 HydrophobicContact CB-CG 3.96Å; Q331-L333 PolarHBondContact O-N 3.32Å
334	P	91.2	Very high	91.7	Very high	97 Å²	97	73.7 Å²	73.7	63%	0.63	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-64.8	136.9	174.2	27.6	-33.8	0	0	0	110.6	R339	P334-R339 PolarHBondContact O-NE 3.19Å; P334-R339 PolarHBondContact O-NH2 3.05Å
335	D	90.8	Very high	91.6	Very high	117 Å²	117	73.8 Å²	73.8	63%	0.626	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-72.9	140.4	171.6	-171	23.4	0	0	0	110.4	K381	D335-K381 IonicContact OD1-NZ 2.74Å; D335-K381 PolarHBondContact OD1-NZ 2.91Å
336	N	94	Very high	91.7	Very high	32 Å²	32	70.4 Å²	70.4	17%	0.171	38%	0.384	C	S	.	.			trans	-149.5	161.7	175.6	71.8	52.8	0	0	0	109.3	D309 E338 R339 K381	D309-N336 PolarHBondContact O-ND2 2.94Å; D309-N336 VanDerWaalsContact O-ND2 3.08Å; D309-N336 PolarHBondContact O-OD1 3.37Å; N336-E338 PolarHBondContact O-N 2.89Å; N336-E338 WeakPolarHBondContact OD1-CA 3.36Å; N336-E338 WeakPolarHBondContact OD1-CB 3.08Å; N336-E338 PolarHBondContact OD1-N 3.35Å; N336-R339 PolarHBondContact ND2-NH2 3.39Å; N336-R339 PolarHBondContact O-N 3.04Å; N336-R339 WeakPolarHBondContact OD1-CB 3.39Å; N336-R339 PolarHBondContact OD1-N 3.36Å; N336-K381 WeakPolarHBondContact O-CE 3.38Å; N336-K381 PolarHBondContact O-NZ 3.2Å
337	P	92.1	Very high	91.9	Very high	113 Å²	113	66.6 Å²	66.6	73%	0.734	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.5	-177.6	-24	35.1	0	0	0	114.9
338	E	93	Very high	92.2	Very high	103 Å²	103	65.7 Å²	65.7	48%	0.481	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-20.5	-176.2	-63.9	139.4	171.1	0	0	112.5	T310 N336 R380	T310-E338 WeakPolarHBondContact CA-O 3.31Å; T310-E338 HydrophobicContact CG2-CB 4.41Å; N336-E338 PolarHBondContact O-N 2.89Å; N336-E338 WeakPolarHBondContact OD1-CA 3.36Å; N336-E338 WeakPolarHBondContact OD1-CB 3.08Å; N336-E338 PolarHBondContact OD1-N 3.35Å; E338-R380 WeakPolarHBondContact O-CD 3.39Å; E338-R380 PolarHBondContact O-NH1 3.15Å
339	R	94.7	Very high	92.6	Very high	9 Å²	9	59.7 Å²	59.7	3%	0.034	33%	0.332	C	S	.	.	S	Bend	trans	-72.4	131.1	-177.4	-163.1	176.5	-62.1	-67.2	-4.9	111.3	P308 D309 A311 P334 N336 D341 K381	P308-R339 PolarHBondContact O-NH1 3.45Å; D309-R339 WeakPolarHBondContact O-CA 3.36Å; D309-R339 WeakPolarHBondContact O-CB 3.39Å; A311-R339 WeakPolarHBondContact O-CD 3.48Å; A311-R339 WeakPolarHBondContact O-CG 3.38Å; A311-R339 PolarHBondContact O-NH1 3.16Å; P334-R339 PolarHBondContact O-NE 3.19Å; P334-R339 PolarHBondContact O-NH2 3.05Å; N336-R339 PolarHBondContact ND2-NH2 3.39Å; N336-R339 PolarHBondContact O-N 3.04Å; N336-R339 WeakPolarHBondContact OD1-CB 3.39Å; N336-R339 PolarHBondContact OD1-N 3.36Å; R339-D341 PolarHBondContact O-N 2.72Å; R339-K381 WeakPolarHBondContact O-CE 3.47Å; R339-K381 PolarHBondContact O-NZ 3.47Å; R339-K381 VanDerWaalsContact O-NZ 3.12Å
340	F	93.8	Very high	92.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	31%	0.307	C	S	.	.			trans	-67.2	122.3	169.7	-83.8	-88.1	0	0	0	110.9	T310 N312 C345 L347 R380 F392 L456	T310-F340 WeakPolarHBondContact O-CD2 3.29Å; T310-F340 PolarHBondContact O-N 2.76Å; N312-F340 VanDerWaalsContact CA-O 3.26Å; N312-F340 WeakPolarHBondContact CA-O 3.35Å; N312-F340 HydrophobicContact CB-CB 4.2Å; N312-F340 WeakPolarHBondContact CB-O 3.39Å; N312-F340 PolarHBondContact ND2-O 3.07Å; F340-C345 HydrophobicContact CB-CB 4.12Å; F340-C345 HydrophobicContact CD1-CB 3.71Å; F340-C345 HydrophobicContact CD2-CB 3.98Å; F340-C345 HydrophobicContact CE1-CB 4.09Å; F340-C345 HydrophobicContact CE2-CB 4.35Å; F340-C345 HydrophobicContact CG-CB 3.65Å; F340-C345 HydrophobicContact CZ-CB 4.4Å; F340-L347 HydrophobicContact CE2-CD1 4.09Å; F340-L347 HydrophobicContact CE2-CD2 3.89Å; F340-L347 HydrophobicContact CE2-CG 3.76Å; F340-L347 HydrophobicContact CZ-CD2 4.28Å; F340-R380 HydrophobicContact CD1-CB 3.94Å; F340-R380 HydrophobicContact CD1-CG 4.27Å; F340-R380 HydrophobicContact CD2-CB 4.48Å; F340-R380 HydrophobicContact CD2-CG 4.42Å; F340-R380 HydrophobicContact CE1-CB 4.04Å; F340-R380 HydrophobicContact CE1-CG 3.9Å; F340-R380 HydrophobicContact CE2-CG 4.03Å; F340-R380 HydrophobicContact CG-CB 4.18Å; F340-R380 HydrophobicContact CZ-CB 4.34Å; F340-R380 HydrophobicContact CZ-CG 3.77Å; F340-F392 AromaticContact CE1-CE1 3.8Å; F340-F392 HydrophobicContact CE1-CE1 3.8Å; F340-F392 HydrophobicContact CE1-CZ 4.05Å; F340-F392 AromaticContact CZ-CE1 3.93Å; F340-F392 HydrophobicContact CZ-CE1 3.93Å; F340-F392 HydrophobicContact CZ-CZ 4.36Å; F340-L456 HydrophobicContact CZ-CD1 4.37Å
341	D	89.9	Confident	93.2	Very high	51 Å²	51	52.6 Å²	52.6	27%	0.273	30%	0.3	S	S	.	.			trans	-96.4	-46.1	171.3	-64	-9.2	0	0	0	113	N312 R339 G343 R380 K381	N312-D341 PolarHBondContact ND2-O 3.27Å; R339-D341 PolarHBondContact O-N 2.72Å; D341-G343 PolarHBondContact O-N 3.17Å; D341-R380 PolarHBondContact N-O 2.87Å; D341-K381 HydrophobicContact CB-CD 4.32Å; D341-K381 IonicContact OD1-NZ 3.71Å; D341-K381 PolarHBondContact OD1-NZ 2.89Å; D341-K381 WeakPolarHBondContact OD2-CD 3.25Å; D341-K381 IonicContact OD2-NZ 3.04Å; D341-K381 PolarHBondContact OD2-NZ 3.5Å
342	P	85.2	Confident	93.4	Very high	37 Å²	37	49.4 Å²	49.4	24%	0.24	29%	0.285	C	S	.	.	S	Bend	trans	-83.5	116.4	176.7	32.2	-26.6	0	0	0	110.1	R380 E382 K383	P342-R380 WeakPolarHBondContact CD-O 3.47Å; P342-E382 WeakPolarHBondContact CG-O 3.41Å; P342-K383 HydrophobicContact CB-CG 4.26Å
343	G	86.7	Confident	93.6	Very high	36 Å²	36	47.6 Å²	47.6	37%	0.371	26%	0.263	S	S	.	.	S	Bend	trans	78.5	156.7	173.1	0	0	0	0	0	114.9	N312 D341 C345	N312-G343 WeakPolarHBondContact CB-O 3.47Å; N312-G343 VanDerWaalsContact CG-O 3.26Å; N312-G343 PolarHBondContact ND2-O 2.82Å; N312-G343 VanDerWaalsContact ND2-O 3.1Å; D341-G343 PolarHBondContact O-N 3.17Å; G343-C345 VanDerWaalsContact C-N 3.34Å; G343-C345 PolarHBondContact O-N 2.8Å
344	P	92.9	Very high	93.8	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.058	27%	0.266	C	S	.	.	S	Bend	trans	-80.2	73.9	-173.7	34.4	-36.7	0	0	0	111.6	L315 R326 S458 L460	L315-P344 HydrophobicContact CD2-CB 3.72Å; L315-P344 HydrophobicContact CG-CB 4.21Å; R326-P344 HydrophobicContact CG-CB 4.34Å; P344-S458 WeakPolarHBondContact O-CA 3.3Å; P344-S458 WeakPolarHBondContact O-CB 3.47Å; P344-S458 PolarHBondContact O-OG 3.27Å; P344-L460 HydrophobicContact CG-CD2 4.19Å
345	C	95.2	Very high	94.1	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.027	25%	0.248	C	C	.	.			trans	-114	150.2	-179	-64.3	0	0	0	0	113.3	N312 L315 F340 G343	N312-C345 PolarHBondContact N-O 3.49Å; L315-C345 VanDerWaalsContact CD1-C 3.4Å; L315-C345 WeakPolarHBondContact CD1-O 3.4Å; F340-C345 HydrophobicContact CB-CB 4.12Å; F340-C345 HydrophobicContact CD1-CB 3.71Å; F340-C345 HydrophobicContact CD2-CB 3.98Å; F340-C345 HydrophobicContact CE1-CB 4.09Å; F340-C345 HydrophobicContact CE2-CB 4.35Å; F340-C345 HydrophobicContact CG-CB 3.65Å; F340-C345 HydrophobicContact CZ-CB 4.4Å; G343-C345 VanDerWaalsContact C-N 3.34Å; G343-C345 PolarHBondContact O-N 2.8Å
346	V	97.1	Very high	94.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.6	170.9	60	0	0	0	0	109.9	L306 A311 L315 L317 V324 F457	L306-V346 HydrophobicContact CB-CG2 4.28Å; L306-V346 HydrophobicContact CD2-CG1 3.94Å; L306-V346 HydrophobicContact CD2-CG2 4.37Å; A311-V346 HydrophobicContact CB-CB 3.96Å; A311-V346 HydrophobicContact CB-CG2 3.63Å; L315-V346 HydrophobicContact CD1-CB 3.86Å; L315-V346 HydrophobicContact CD1-CG1 3.96Å; L317-V346 HydrophobicContact CD2-CG2 4.43Å; V324-V346 HydrophobicContact CB-CG1 4.38Å; V324-V346 HydrophobicContact CG1-CG1 4.24Å; V324-V346 HydrophobicContact CG2-CG1 4.03Å; V346-F457 HydrophobicContact CG1-CB 4.02Å; V346-F457 WeakPolarHBondContact CG1-O 3.42Å; V346-F457 PolarHBondContact N-O 2.78Å; V346-F457 PolarHBondContact O-N 3.03Å
347	L	97.7	Very high	94.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	154.9	175.4	-58.7	178.9	0	0	0	112	D307 T310 F340 C374 R454 P455 L456	D307-L347 WeakPolarHBondContact CB-O 3.32Å; D307-L347 PolarHBondContact N-O 3.46Å; T310-L347 HydrophobicContact CG2-CB 4.18Å; T310-L347 HydrophobicContact CG2-CD1 4.16Å; T310-L347 HydrophobicContact CG2-CG 4.38Å; T310-L347 PolarHBondContact OG1-N 3.01Å; F340-L347 HydrophobicContact CE2-CD1 4.09Å; F340-L347 HydrophobicContact CE2-CD2 3.89Å; F340-L347 HydrophobicContact CE2-CG 3.76Å; F340-L347 HydrophobicContact CZ-CD2 4.28Å; L347-C374 HydrophobicContact CD2-CB 4.18Å; L347-R454 HydrophobicContact CB-CB 4.21Å; L347-R454 HydrophobicContact CD1-CB 3.96Å; L347-R454 HydrophobicContact CD1-CG 4.18Å; L347-R454 HydrophobicContact CD2-CB 4.23Å; L347-R454 HydrophobicContact CG-CB 4.35Å; L347-P455 CarbonylContact C-O 3.53Å; L347-P455 WeakPolarHBondContact CA-O 3.34Å; L347-P455 WeakPolarHBondContact CD2-O 3.27Å; L347-L456 HydrophobicContact CD2-CB 3.95Å; L347-L456 HydrophobicContact CD2-CD1 4.15Å; L347-L456 HydrophobicContact CD2-CG 4.15Å
348	G	97.5	Very high	94.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-73.2	147.2	162.9	0	0	0	0	0	110.9	T305 E350 R454 P455	T305-G348 CarbonylContact O-C 3.54Å; T305-G348 WeakPolarHBondContact O-CA 3.49Å; G348-E350 PolarHBondContact O-N 2.91Å; G348-R454 PolarHBondContact O-NE 3.11Å; G348-R454 PolarHBondContact O-NH2 2.86Å; G348-P455 PolarHBondContact N-O 2.95Å
349	Q	96.1	Very high	95	Very high	63 Å²	63	35.4 Å²	35.4	29%	0.294	19%	0.189	S	C	.	.	S	Bend	trans	-61.9	-27.9	179.4	-173.2	66.5	38.4	0	0	112.6	T305 D307 R351	T305-Q349 PolarHBondContact O-N 2.95Å; D307-Q349 VanDerWaalsContact CG-OE1 3.29Å; Q349-R351 PolarHBondContact O-NH1 3.35Å; Q349-R351 VanDerWaalsContact O-NH1 3.07Å
350	E	94.7	Very high	95.1	Very high	49 Å²	49	35 Å²	35	23%	0.229	19%	0.187	C	C	.	.			trans	-72.8	128.8	-171.8	-62.9	68.7	-153.1	0	0	110.4	D303 I304 T305 G348 R454 P455	D303-E350 WeakPolarHBondContact O-CG 3.43Å; I304-E350 VanDerWaalsContact CA-CD 3.44Å; I304-E350 WeakPolarHBondContact CA-OE1 3.04Å; I304-E350 WeakPolarHBondContact CA-OE2 3.33Å; I304-E350 HydrophobicContact CG1-CG 4.18Å; I304-E350 WeakPolarHBondContact CG2-OE2 3.49Å; T305-E350 PolarHBondContact N-OE1 3.49Å; T305-E350 PolarHBondContact N-OE2 3.26Å; T305-E350 VanDerWaalsContact N-OE2 3.17Å; T305-E350 PolarHBondContact OG1-OE1 2.87Å; G348-E350 PolarHBondContact O-N 2.91Å; E350-R454 VanDerWaalsContact O-CD 3.27Å; E350-R454 WeakPolarHBondContact O-CD 3.34Å; E350-R454 PolarHBondContact O-NE 3.03Å; E350-P455 WeakPolarHBondContact O-CD 3.25Å
351	R	96.9	Very high	95.3	Very high	123 Å²	123	35 Å²	35	46%	0.464	19%	0.187	S	C	.	.			trans	-103.9	104.3	-178	-76.6	172.2	-179.6	82.3	-8.1	108.7	Q349 E376 T452 R454	Q349-R351 PolarHBondContact O-NH1 3.35Å; Q349-R351 VanDerWaalsContact O-NH1 3.07Å; R351-E376 IonicContact CZ-OE1 2.9Å; R351-E376 IonicContact NE-OE1 3.03Å; R351-E376 PolarHBondContact NE-OE1 2.8Å; R351-E376 IonicContact NE-OE2 2.68Å; R351-E376 IonicContact NH2-OE1 3.86Å; R351-T452 HydrophobicContact CB-CG2 3.56Å; R351-T452 HydrophobicContact CG-CG2 3.84Å; R351-R454 VanDerWaalsContact CZ-NH1 3.32Å
352	I	97.2	Very high	95.6	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.036	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-93.4	116.4	-175.7	-58.8	168.9	0	0	0	108.9	H357 W359 L423 Y425 L453 P455	I352-H357 HydrophobicContact CD1-CB 4.25Å; I352-H357 VanDerWaalsContact CG2-CD2 3.47Å; I352-H357 WeakPolarHBondContact CG2-CD2 3.18Å; I352-W359 HydrophobicContact CD1-CH2 4.43Å; I352-W359 HydrophobicContact CD1-CZ3 4.21Å; I352-L423 HydrophobicContact CB-CD2 4.39Å; I352-L423 HydrophobicContact CD1-CD2 3.98Å; I352-L423 HydrophobicContact CG2-CD2 3.72Å; I352-Y425 HydrophobicContact CG2-CD2 4.25Å; I352-L453 HydrophobicContact CB-CB 4.43Å; I352-L453 PolarHBondContact N-O 3.43Å; I352-L453 PolarHBondContact O-N 3.36Å; I352-P455 HydrophobicContact CD1-CG 4.21Å
353	T	97	Very high	96	Very high	75 Å²	75	33.3 Å²	33.3	46%	0.46	18%	0.175	S	C	.	.			trans	-123.6	-7.1	179.4	53.7	0	0	0	0	113.5	Y425 T452	T353-Y425 WeakPolarHBondContact O-CE1 3.22Å; T353-T452 HydrophobicContact CG2-CG2 4.01Å
354	S	96.9	Very high	96.1	Very high	64 Å²	64	32.3 Å²	32.3	45%	0.448	16%	0.164	S	C	.	.	S	Bend	trans	-169.9	165	-179.6	56.8	0	0	0	0	110.8	H357 E426	S354-H357 PolarHBondContact O-NE2 3.1Å; S354-E426 VanDerWaalsContact CA-OE1 3.28Å; S354-E426 WeakPolarHBondContact CA-OE1 3.44Å; S354-E426 WeakPolarHBondContact CB-OE1 3.46Å
355	G	96.7	Very high	95.8	Very high	25 Å²	25	37.3 Å²	37.3	26%	0.258	19%	0.191	S	C	.	.	S	Bend	trans	82.5	-172.9	171.5	0	0	0	0	0	115.4	Y425 E426	G355-Y425 WeakPolarHBondContact O-CB 3.32Å; G355-Y425 PolarHBondContact O-N 3.36Å; G355-E426 VanDerWaalsContact CA-OE2 3.23Å; G355-E426 WeakPolarHBondContact CA-OE2 3.45Å; G355-E426 PolarHBondContact N-OE1 3.21Å; G355-E426 PolarHBondContact N-OE2 3.4Å
356	R	97.7	Very high	95.4	Very high	131 Å²	131	37.5 Å²	37.5	49%	0.494	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.3	179.4	-73.4	172	-68	-174.6	-1	110.4	F300 F422 L423 D424	F300-R356 HydrophobicContact CB-CB 4.33Å; F300-R356 HydrophobicContact CD1-CB 3.64Å; F300-R356 HydrophobicContact CD2-CB 4.44Å; F300-R356 HydrophobicContact CE1-CB 4.04Å; F300-R356 VanDerWaalsContact CE1-CZ 3.46Å; F300-R356 HydrophobicContact CG-CB 3.87Å; F300-R356 VanDerWaalsContact CZ-CZ 3.48Å; R356-F422 HydrophobicContact CB-CE2 4.02Å; R356-F422 HydrophobicContact CB-CZ 4.19Å; R356-F422 HydrophobicContact CG-CE2 4.31Å; R356-F422 HydrophobicContact CG-CZ 3.96Å; R356-L423 CarbonylContact C-O 3.52Å; R356-L423 VanDerWaalsContact CA-O 3.28Å; R356-L423 WeakPolarHBondContact CA-O 3.38Å; R356-D424 VanDerWaalsContact CD-OD2 3.26Å; R356-D424 WeakPolarHBondContact CD-OD2 3.39Å; R356-D424 HydrophobicContact CG-CB 3.91Å; R356-D424 VanDerWaalsContact CG-CG 3.44Å; R356-D424 VanDerWaalsContact CG-OD2 3.28Å; R356-D424 WeakPolarHBondContact CG-OD2 3.44Å
357	H	97.6	Very high	94.9	Very high	54 Å²	54	41.9 Å²	41.9	25%	0.25	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.7	-175.6	-60.2	-90.5	0	0	0	110.1	I352 S354 W359 F422 L423	I352-H357 HydrophobicContact CD1-CB 4.25Å; I352-H357 VanDerWaalsContact CG2-CD2 3.47Å; I352-H357 WeakPolarHBondContact CG2-CD2 3.18Å; S354-H357 PolarHBondContact O-NE2 3.1Å; H357-W359 HydrophobicContact CB-CE3 4.41Å; H357-W359 HydrophobicContact CB-CZ3 4.05Å; H357-F422 WeakPolarHBondContact O-CA 3.39Å; H357-F422 WeakPolarHBondContact O-CD2 3.16Å; H357-L423 PolarHBondContact N-O 3.09Å; H357-L423 PolarHBondContact O-N 3.11Å
358	Y	97.4	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.3	175	-179.2	-103.1	0	0	0	110.4	L297 R298 F300 R301 G302 E360 I421 F422	L297-Y358 HydrophobicContact CB-CD2 3.8Å; L297-Y358 HydrophobicContact CB-CE2 3.99Å; L297-Y358 HydrophobicContact CB-CG 4.15Å; L297-Y358 HydrophobicContact CD1-CD2 4.44Å; L297-Y358 HydrophobicContact CD1-CE2 4.25Å; L297-Y358 WeakPolarHBondContact O-CB 3.38Å; R298-Y358 HydrophobicContact CG-CD1 4.21Å; R298-Y358 HydrophobicContact CG-CE1 3.68Å; F300-Y358 PolarHBondContact O-N 3.46Å; R301-Y358 CarbonylContact C-O 3.56Å; R301-Y358 VanDerWaalsContact CA-O 3.23Å; R301-Y358 WeakPolarHBondContact CA-O 3.5Å; R301-Y358 HydrophobicContact CB-CD1 4.39Å; G302-Y358 PolarHBondContact N-O 2.9Å; Y358-E360 HydrophobicContact CE1-CG 3.56Å; Y358-E360 WeakPolarHBondContact CE1-OE1 3.25Å; Y358-E360 VanDerWaalsContact OH-CG 3.25Å; Y358-E360 WeakPolarHBondContact OH-CG 3.39Å; Y358-E360 PolarHBondContact OH-OE1 3.35Å; Y358-I421 VanDerWaalsContact CA-O 3.28Å; Y358-I421 WeakPolarHBondContact CA-O 3.33Å; Y358-I421 WeakPolarHBondContact CD2-O 3.34Å; Y358-F422 HydrophobicContact CD2-CB 4Å; Y358-F422 HydrophobicContact CD2-CD2 4.46Å
359	W	97.3	Very high	94.4	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.3	170.6	61.6	101.9	0	0	0	110.9	I304 I352 H357 V373 G420 I421 L423 P455 F457	I304-W359 HydrophobicContact CD1-CB 3.51Å; I304-W359 HydrophobicContact CD1-CD2 3.29Å; I304-W359 HydrophobicContact CD1-CE3 3.51Å; I304-W359 HydrophobicContact CD1-CG 3.32Å; I304-W359 HydrophobicContact CD1-CZ3 4.33Å; I304-W359 HydrophobicContact CG1-CB 4.41Å; I352-W359 HydrophobicContact CD1-CH2 4.43Å; I352-W359 HydrophobicContact CD1-CZ3 4.21Å; H357-W359 HydrophobicContact CB-CE3 4.41Å; H357-W359 HydrophobicContact CB-CZ3 4.05Å; W359-V373 HydrophobicContact CH2-CG1 3.62Å; W359-V373 HydrophobicContact CZ2-CG1 3.93Å; W359-G420 CarbonylContact O-C 3.53Å; W359-G420 WeakPolarHBondContact O-CA 3.24Å; W359-I421 HydrophobicContact CD2-CB 4.07Å; W359-I421 HydrophobicContact CH2-CB 4.29Å; W359-I421 HydrophobicContact CH2-CG2 3.71Å; W359-I421 HydrophobicContact CZ2-CB 3.78Å; W359-I421 HydrophobicContact CZ2-CG1 4.38Å; W359-I421 HydrophobicContact CZ2-CG2 3.47Å; W359-I421 VanDerWaalsContact CZ2-CG2 3.47Å; W359-I421 HydrophobicContact CZ3-CG2 4.35Å; W359-I421 PolarHBondContact N-O 3.22Å; W359-I421 PolarHBondContact O-N 3.22Å; W359-L423 HydrophobicContact CH2-CB 4.47Å; W359-L423 HydrophobicContact CZ3-CB 4.33Å; W359-P455 HydrophobicContact CH2-CG 4.46Å; W359-P455 HydrophobicContact CZ2-CB 3.9Å; W359-P455 HydrophobicContact CZ2-CG 4.27Å; W359-F457 AromaticContact NE1-CE1 3.86Å; W359-F457 AromaticContact NE1-CZ 3.9Å
360	E	96.7	Very high	94.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.6	-179.8	-71.7	172.9	-179.8	0	0	109.8	R298 R301 Y358 R418 V419 A435 C470	R298-E360 IonicContact CZ-OE1 3.53Å; R298-E360 IonicContact NE-OE1 3.96Å; R298-E360 PolarHBondContact NE-OE1 3.45Å; R298-E360 IonicContact NH2-OE1 2.85Å; R298-E360 PolarHBondContact NH2-OE1 3.28Å; R301-E360 IonicContact CZ-OE1 3.45Å; R301-E360 IonicContact CZ-OE2 2.72Å; R301-E360 IonicContact NH1-OE2 3.21Å; R301-E360 PolarHBondContact NH1-OE2 3.05Å; R301-E360 IonicContact NH2-OE1 2.76Å; R301-E360 PolarHBondContact NH2-OE1 2.95Å; R301-E360 IonicContact NH2-OE2 2.87Å; R301-E360 PolarHBondContact NH2-OE2 2.83Å; Y358-E360 HydrophobicContact CE1-CG 3.56Å; Y358-E360 WeakPolarHBondContact CE1-OE1 3.25Å; Y358-E360 VanDerWaalsContact OH-CG 3.25Å; Y358-E360 WeakPolarHBondContact OH-CG 3.39Å; Y358-E360 PolarHBondContact OH-OE1 3.35Å; E360-R418 HydrophobicContact CB-CG 4.16Å; E360-V419 CarbonylContact C-O 3.43Å; E360-V419 VanDerWaalsContact CA-O 3.31Å; E360-V419 WeakPolarHBondContact CA-O 3.46Å; E360-A435 HydrophobicContact CG-CB 4.09Å; E360-C470 HydrophobicContact CB-CB 3.95Å; E360-C470 WeakPolarHBondContact O-CB 3.25Å; E360-C470 PolarHBondContact O-N 2.84Å
361	V	96.7	Very high	94.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.8	-180	-171.1	0	0	0	0	108.5	V363 L371 R418 V419 I421 F457 M467 T468	V361-V363 HydrophobicContact CG1-CG1 4.27Å; V361-V363 PolarHBondContact O-N 3.48Å; V361-L371 HydrophobicContact CB-CD1 4.14Å; V361-L371 HydrophobicContact CB-CD2 4.35Å; V361-L371 HydrophobicContact CG1-CD1 4.46Å; V361-L371 HydrophobicContact CG1-CD2 4.13Å; V361-L371 HydrophobicContact CG2-CD1 4.42Å; V361-L371 HydrophobicContact CG2-CD2 4.15Å; V361-R418 CarbonylContact O-C 3.58Å; V361-R418 VanDerWaalsContact O-CA 3.3Å; V361-R418 WeakPolarHBondContact O-CA 3.35Å; V361-V419 PolarHBondContact N-O 3.09Å; V361-V419 PolarHBondContact O-N 3.18Å; V361-I421 HydrophobicContact CG2-CD1 3.93Å; V361-F457 HydrophobicContact CG1-CD1 4.45Å; V361-F457 HydrophobicContact CG2-CD1 3.97Å; V361-F457 HydrophobicContact CG2-CE1 3.55Å; V361-M467 HydrophobicContact CG1-CG 3.27Å; V361-M467 HydrophobicContact CG1-SD 3.92Å; V361-T468 CarbonylContact C-O 3.47Å; V361-T468 WeakPolarHBondContact CA-O 3.32Å
362	E	95.9	Very high	94.2	Very high	54 Å²	54	32 Å²	32	25%	0.252	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	115.2	167.8	-163.7	73	-141.3	0	0	108	K417 R418 M467 T468	E362-K417 CarbonylContact C-O 3.4Å; E362-K417 VanDerWaalsContact OE1-O 3.08Å; E362-R418 IonicContact OE2-CZ 3.22Å; E362-R418 VanDerWaalsContact OE2-CZ 3.22Å; E362-R418 IonicContact OE2-NE 2.78Å; E362-R418 PolarHBondContact OE2-NE 3.4Å; E362-R418 IonicContact OE2-NH2 2.77Å; E362-R418 PolarHBondContact OE2-NH2 2.62Å; E362-M467 CarbonylContact O-C 3.48Å; E362-M467 WeakPolarHBondContact O-CA 3.18Å; E362-T468 PolarHBondContact N-O 2.74Å; E362-T468 PolarHBondContact O-N 3.21Å
363	V	94	Very high	94.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.			trans	-103.6	-14.1	175.5	-63.1	0	0	0	0	111.6	V361 D365 Q366 W369 L371 P416 K417 V419 M467	V361-V363 HydrophobicContact CG1-CG1 4.27Å; V361-V363 PolarHBondContact O-N 3.48Å; V363-D365 PolarHBondContact O-N 2.98Å; V363-Q366 VanDerWaalsContact O-CB 3.29Å; V363-Q366 WeakPolarHBondContact O-CB 3.06Å; V363-Q366 WeakPolarHBondContact O-CG 3.31Å; V363-Q366 PolarHBondContact O-N 3.12Å; V363-W369 HydrophobicContact CB-CG 4.49Å; V363-W369 HydrophobicContact CG1-CD2 4.19Å; V363-W369 HydrophobicContact CG1-CG 4.22Å; V363-W369 HydrophobicContact CG2-CZ2 4.48Å; V363-L371 HydrophobicContact CG1-CD1 3.98Å; V363-P416 WeakPolarHBondContact CG2-O 3.17Å; V363-K417 WeakPolarHBondContact CG2-O 3.44Å; V363-K417 PolarHBondContact N-O 3.15Å; V363-V419 HydrophobicContact CG1-CG2 4.39Å; V363-V419 HydrophobicContact CG2-CG2 4.15Å; V363-M467 HydrophobicContact CG1-CE 4.37Å; V363-M467 HydrophobicContact CG1-CG 4.43Å
364	G	88.8	Confident	94.1	Very high	15 Å²	15	28.1 Å²	28.1	16%	0.155	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-133	177.2	0	0	0	0	0	112.1	K417	G364-K417 PolarHBondContact N-O 3.45Å
365	D	86.1	Confident	94	Very high	114 Å²	114	28 Å²	28	61%	0.61	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	25	179.2	-55	-37.5	0	0	0	112.3	V363 T367 K417	V363-D365 PolarHBondContact O-N 2.98Å; D365-T367 PolarHBondContact O-N 3.18Å; D365-K417 VanDerWaalsContact OD1-CE 3.3Å; D365-K417 WeakPolarHBondContact OD1-CE 3.32Å; D365-K417 IonicContact OD1-NZ 2.73Å; D365-K417 PolarHBondContact OD1-NZ 3.17Å; D365-K417 IonicContact OD2-NZ 3.77Å
366	Q	86.8	Confident	93.9	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.037	15%	0.147	C	C	.	.			trans	-61.5	129.8	179	-77.5	-176	11.3	0	0	111.9	V363 T465 M467	V363-Q366 VanDerWaalsContact O-CB 3.29Å; V363-Q366 WeakPolarHBondContact O-CB 3.06Å; V363-Q366 WeakPolarHBondContact O-CG 3.31Å; V363-Q366 PolarHBondContact O-N 3.12Å; Q366-T465 PolarHBondContact NE2-O 2.95Å; Q366-M467 VanDerWaalsContact NE2-N 3.17Å
367	T	86.8	Confident	93.7	Very high	91 Å²	91	29.2 Å²	29.2	56%	0.558	16%	0.161	S	C	*	.	S	Bend	trans	-75.6	-26.3	-178.3	55.4	0	0	0	0	113.2	D365 L398 G399 S461	D365-T367 PolarHBondContact O-N 3.18Å; T367-L398 CarbonylContact O-C 3.51Å; T367-G399 WeakPolarHBondContact O-CA 3.43Å; T367-G399 PolarHBondContact O-N 3.2Å; T367-S461 WeakPolarHBondContact OG1-CB 3.44Å; T367-S461 PolarHBondContact OG1-OG 2.94Å; T367-S461 VanDerWaalsContact OG1-OG 3.11Å
368	S	90.6	Very high	93.4	Very high	22 Å²	22	27.2 Å²	27.2	15%	0.154	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	138.9	172.6	58.6	0	0	0	0	113.1	F397 L460 S461	S368-F397 WeakPolarHBondContact CA-O 3.28Å; S368-F397 WeakPolarHBondContact CB-O 3.34Å; S368-L460 PolarHBondContact O-N 2.99Å; S368-L460 VanDerWaalsContact O-N 3.14Å; S368-S461 PolarHBondContact N-OG 3.18Å; S368-S461 PolarHBondContact O-N 2.93Å; S368-S461 VanDerWaalsContact O-N 3.13Å; S368-S461 PolarHBondContact O-OG 3.47Å; S368-S461 VanDerWaalsContact OG-CB 3.31Å; S368-S461 WeakPolarHBondContact OG-CB 3.48Å; S368-S461 PolarHBondContact OG-N 3.35Å; S368-S461 VanDerWaalsContact OG-N 3.14Å
369	W	93.6	Very high	93.1	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	161	-177.9	50.3	-102.3	0	0	0	111	V363 L371 L395 V396 F397 Y402 V419 S458 M467	V363-W369 HydrophobicContact CB-CG 4.49Å; V363-W369 HydrophobicContact CG1-CD2 4.19Å; V363-W369 HydrophobicContact CG1-CG 4.22Å; V363-W369 HydrophobicContact CG2-CZ2 4.48Å; W369-L371 HydrophobicContact CE3-CB 4.25Å; W369-L371 HydrophobicContact CE3-CD1 3.83Å; W369-L371 HydrophobicContact CE3-CG 3.7Å; W369-L371 HydrophobicContact CH2-CD1 4.33Å; W369-L371 HydrophobicContact CZ3-CB 4.11Å; W369-L371 HydrophobicContact CZ3-CD1 3.74Å; W369-L371 HydrophobicContact CZ3-CG 3.91Å; W369-L395 HydrophobicContact CH2-CD2 4.36Å; W369-L395 HydrophobicContact CZ3-CD2 4.49Å; W369-L395 HydrophobicContact CZ3-CG 4.48Å; W369-V396 CarbonylContact O-C 3.6Å; W369-V396 WeakPolarHBondContact O-CA 3.41Å; W369-F397 AromaticContact CD1-CD1 3.76Å; W369-F397 HydrophobicContact CD2-CB 3.62Å; W369-F397 HydrophobicContact CD2-CG 4.45Å; W369-F397 AromaticContact CE2-CD1 3.84Å; W369-F397 AromaticContact CE2-CG 3.81Å; W369-F397 HydrophobicContact CE3-CB 4Å; W369-F397 HydrophobicContact CG-CB 4.16Å; W369-F397 HydrophobicContact CG-CD1 4.49Å; W369-F397 HydrophobicContact CH2-CB 4.01Å; W369-F397 HydrophobicContact CZ2-CB 3.62Å; W369-F397 HydrophobicContact CZ2-CD1 4.37Å; W369-F397 AromaticContact CZ2-CG 3.99Å; W369-F397 HydrophobicContact CZ2-CG 3.99Å; W369-F397 HydrophobicContact CZ3-CB 4.17Å; W369-F397 PolarHBondContact N-O 3.04Å; W369-F397 VanDerWaalsContact N-O 3.11Å; W369-F397 AromaticContact NE1-CD1 3.3Å; W369-F397 VanDerWaalsContact NE1-CD1 3.3Å; W369-F397 AromaticContact NE1-CG 3.78Å; W369-F397 PolarHBondContact O-N 3.26Å; W369-Y402 HydrophobicContact CH2-CD1 4.49Å; W369-Y402 AromaticContact CH2-CE1 3.6Å; W369-Y402 HydrophobicContact CH2-CE1 3.6Å; W369-Y402 AromaticContact CZ2-CE1 3.92Å; W369-Y402 HydrophobicContact CZ2-CE1 3.92Å; W369-Y402 HydrophobicContact CZ3-CE1 4.42Å; W369-V419 HydrophobicContact CH2-CG1 4.45Å; W369-V419 HydrophobicContact CH2-CG2 3.66Å; W369-V419 HydrophobicContact CZ2-CG2 3.72Å; W369-V419 HydrophobicContact CZ3-CG2 4.5Å; W369-S458 CarbonylContact C-O 3.56Å; W369-S458 VanDerWaalsContact CA-O 3.25Å; W369-S458 WeakPolarHBondContact CA-O 3.31Å; W369-M467 HydrophobicContact CB-CE 3.53Å; W369-M467 HydrophobicContact CG-CE 4.37Å
370	A	93.6	Very high	92.8	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.025	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.1	166.4	0	0	0	0	0	110.9	I394 L395 V396 S458 L460	A370-I394 HydrophobicContact CB-CD1 4.37Å; A370-L395 VanDerWaalsContact CA-O 3.27Å; A370-L395 WeakPolarHBondContact CA-O 3.39Å; A370-V396 HydrophobicContact CB-CB 4.41Å; A370-V396 HydrophobicContact CB-CG2 3.83Å; A370-S458 PolarHBondContact N-O 3.03Å; A370-S458 PolarHBondContact O-N 3.44Å; A370-L460 HydrophobicContact CB-CD1 4.38Å
371	L	95.9	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.4	-179.3	-67.5	175.6	0	0	0	109.7	V361 V363 W369 I394 L395 V419 I421 F432 F457 M467	V361-L371 HydrophobicContact CB-CD1 4.14Å; V361-L371 HydrophobicContact CB-CD2 4.35Å; V361-L371 HydrophobicContact CG1-CD1 4.46Å; V361-L371 HydrophobicContact CG1-CD2 4.13Å; V361-L371 HydrophobicContact CG2-CD1 4.42Å; V361-L371 HydrophobicContact CG2-CD2 4.15Å; V363-L371 HydrophobicContact CG1-CD1 3.98Å; W369-L371 HydrophobicContact CE3-CB 4.25Å; W369-L371 HydrophobicContact CE3-CD1 3.83Å; W369-L371 HydrophobicContact CE3-CG 3.7Å; W369-L371 HydrophobicContact CH2-CD1 4.33Å; W369-L371 HydrophobicContact CZ3-CB 4.11Å; W369-L371 HydrophobicContact CZ3-CD1 3.74Å; W369-L371 HydrophobicContact CZ3-CG 3.91Å; L371-I394 CarbonylContact O-C 3.57Å; L371-I394 WeakPolarHBondContact O-CA 3.3Å; L371-L395 PolarHBondContact N-O 3.42Å; L371-L395 PolarHBondContact O-N 2.8Å; L371-V419 HydrophobicContact CD1-CB 3.76Å; L371-V419 HydrophobicContact CD1-CG1 3.92Å; L371-V419 HydrophobicContact CD1-CG2 4.15Å; L371-I421 HydrophobicContact CD1-CD1 4.35Å; L371-F432 HydrophobicContact CB-CE1 4.29Å; L371-F432 VanDerWaalsContact O-CE1 3.31Å; L371-F432 WeakPolarHBondContact O-CE1 3.29Å; L371-F457 HydrophobicContact CD2-CB 4.49Å; L371-F457 HydrophobicContact CD2-CD1 3.74Å; L371-M467 HydrophobicContact CD2-CE 4.07Å; L371-M467 HydrophobicContact CD2-SD 3.62Å
372	G	95.9	Very high	91.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-141.5	171.4	0	0	0	0	0	113	W393 P455 L456	G372-W393 WeakPolarHBondContact CA-O 3.43Å; G372-P455 CarbonylContact O-C 3.2Å; G372-L456 PolarHBondContact N-O 3.33Å; G372-L456 VanDerWaalsContact N-O 3.09Å; G372-L456 PolarHBondContact O-N 2.92Å
373	V	96.5	Very high	90.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.3	177.7	-61.8	0	0	0	0	111.3	W359 W393 L423 L430 L453 R454	W359-V373 HydrophobicContact CH2-CG1 3.62Å; W359-V373 HydrophobicContact CZ2-CG1 3.93Å; V373-W393 HydrophobicContact CG2-CB 4.03Å; V373-W393 HydrophobicContact CG2-CE3 4.18Å; V373-W393 PolarHBondContact N-O 2.95Å; V373-W393 PolarHBondContact O-N 3.15Å; V373-L423 HydrophobicContact CG1-CD2 4.4Å; V373-L430 HydrophobicContact CG1-CD1 4.45Å; V373-L430 HydrophobicContact CG2-CD1 4.34Å; V373-L430 HydrophobicContact CG2-CD2 3.75Å; V373-L453 HydrophobicContact CG2-CD1 4.31Å; V373-R454 CarbonylContact C-O 3.58Å; V373-R454 VanDerWaalsContact CA-O 3.3Å; V373-R454 WeakPolarHBondContact CA-O 3.43Å
374	C	94.5	Very high	89.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.2	179.5	179	0	0	0	0	110.3	L347 A378 G391 F392 L453 R454 L456	L347-C374 HydrophobicContact CD2-CB 4.18Å; C374-A378 WeakPolarHBondContact SG-CB 3.3Å; C374-G391 CarbonylContact C-O 3.57Å; C374-G391 VanDerWaalsContact CA-O 3.26Å; C374-G391 WeakPolarHBondContact CA-O 3.31Å; C374-F392 HydrophobicContact CB-CD1 3.97Å; C374-F392 HydrophobicContact CB-CE1 4.19Å; C374-F392 WeakPolarHBondContact SG-CD1 3.47Å; C374-F392 WeakPolarHBondContact SG-CE1 3.42Å; C374-L453 CarbonylContact O-C 3.59Å; C374-L453 WeakPolarHBondContact O-CA 3.37Å; C374-R454 PolarHBondContact N-O 3.42Å; C374-R454 PolarHBondContact O-N 3.22Å; C374-L456 HydrophobicContact CB-CB 4.39Å; C374-L456 HydrophobicContact CB-CD1 3.8Å
375	K	95.6	Very high	89.3	Confident	60 Å²	60	56.3 Å²	56.3	26%	0.261	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	137.9	169.3	-72.7	-170.9	172.9	-176.3	0	109.8	T377 A378 G391 W393 L453	K375-T377 PolarHBondContact O-N 3.4Å; K375-T377 VanDerWaalsContact O-N 3.13Å; K375-A378 HydrophobicContact CB-CB 4.3Å; K375-A378 VanDerWaalsContact O-CB 3.28Å; K375-A378 WeakPolarHBondContact O-CB 3.42Å; K375-A378 PolarHBondContact O-N 3.11Å; K375-G391 PolarHBondContact N-O 2.74Å; K375-W393 HydrophobicContact CD-CH2 4.39Å; K375-W393 HydrophobicContact CG-CH2 3.99Å; K375-W393 HydrophobicContact CG-CZ3 3.81Å; K375-L453 HydrophobicContact CG-CD2 4.02Å
376	E	94.6	Very high	89.1	Confident	54 Å²	54	55 Å²	55	25%	0.252	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.7	173.6	-175.7	160.7	-142.5	0	0	111.7	R351 R380 T452 R454	R351-E376 IonicContact CZ-OE1 2.9Å; R351-E376 IonicContact NE-OE1 3.03Å; R351-E376 PolarHBondContact NE-OE1 2.8Å; R351-E376 IonicContact NE-OE2 2.68Å; R351-E376 IonicContact NH2-OE1 3.86Å; E376-R380 PolarHBondContact O-NH2 2.96Å; E376-T452 HydrophobicContact CB-CG2 4.28Å; E376-T452 PolarHBondContact N-O 2.96Å; E376-T452 WeakPolarHBondContact OE2-CB 3.35Å; E376-T452 VanDerWaalsContact OE2-CG2 3.24Å; E376-T452 WeakPolarHBondContact OE2-CG2 3.26Å; E376-T452 PolarHBondContact OE2-OG1 2.99Å; E376-R454 HydrophobicContact CB-CG 4.13Å; E376-R454 HydrophobicContact CG-CG 4.49Å; E376-R454 IonicContact OE1-NH1 3.79Å; E376-R454 PolarHBondContact OE1-NH1 2.95Å
377	T	93	Very high	89.1	Confident	128 Å²	128	55.6 Å²	55.6	79%	0.785	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	5.9	178.9	55.9	0	0	0	0	114.8	K375	K375-T377 PolarHBondContact O-N 3.4Å; K375-T377 VanDerWaalsContact O-N 3.13Å
378	A	91.3	Very high	89	Confident	13 Å²	13	53.4 Å²	53.4	11%	0.107	29%	0.286	C	S	.	.	S	Bend	trans	-62.6	148.4	-179.7	0	0	0	0	0	111.8	C374 K375 R380 F392	C374-A378 WeakPolarHBondContact SG-CB 3.3Å; K375-A378 HydrophobicContact CB-CB 4.3Å; K375-A378 VanDerWaalsContact O-CB 3.28Å; K375-A378 WeakPolarHBondContact O-CB 3.42Å; K375-A378 PolarHBondContact O-N 3.11Å; A378-R380 WeakPolarHBondContact O-CG 3.14Å; A378-R380 PolarHBondContact O-N 3.24Å; A378-F392 HydrophobicContact CB-CD2 4.44Å; A378-F392 HydrophobicContact CB-CE2 3.74Å; A378-F392 HydrophobicContact CB-CZ 3.8Å
379	N	90.7	Very high	88.8	Confident	84 Å²	84	56 Å²	56	45%	0.449	32%	0.316	S	S	.	.			trans	-69.4	124.5	176.8	-176.6	-10.4	0	0	0	110.3	K381 E382	N379-K381 PolarHBondContact OD1-N 3.13Å; N379-E382 PolarHBondContact ND2-OE2 3.29Å; N379-E382 PolarHBondContact OD1-N 3.43Å
380	R	91	Very high	88.6	Confident	16 Å²	16	59.7 Å²	59.7	6%	0.06	34%	0.336	C	S	.	.			trans	-117	8.9	-176.7	-47.8	178.9	-166.9	170.4	5	113.4	E338 F340 D341 P342 E376 A378	E338-R380 WeakPolarHBondContact O-CD 3.39Å; E338-R380 PolarHBondContact O-NH1 3.15Å; F340-R380 HydrophobicContact CD1-CB 3.94Å; F340-R380 HydrophobicContact CD1-CG 4.27Å; F340-R380 HydrophobicContact CD2-CB 4.48Å; F340-R380 HydrophobicContact CD2-CG 4.42Å; F340-R380 HydrophobicContact CE1-CB 4.04Å; F340-R380 HydrophobicContact CE1-CG 3.9Å; F340-R380 HydrophobicContact CE2-CG 4.03Å; F340-R380 HydrophobicContact CG-CB 4.18Å; F340-R380 HydrophobicContact CZ-CB 4.34Å; F340-R380 HydrophobicContact CZ-CG 3.77Å; D341-R380 PolarHBondContact N-O 2.87Å; P342-R380 WeakPolarHBondContact CD-O 3.47Å; E376-R380 PolarHBondContact O-NH2 2.96Å; A378-R380 WeakPolarHBondContact O-CG 3.14Å; A378-R380 PolarHBondContact O-N 3.24Å
381	K	89.6	Confident	88.5	Confident	65 Å²	65	59.7 Å²	59.7	28%	0.283	34%	0.336	S	S	.	.	S	Bend	trans	-115.7	-37.8	-170.4	-64.7	-63.7	-179.9	-177.4	0	113.3	D335 N336 R339 D341 N379	D335-K381 IonicContact OD1-NZ 2.74Å; D335-K381 PolarHBondContact OD1-NZ 2.91Å; N336-K381 WeakPolarHBondContact O-CE 3.38Å; N336-K381 PolarHBondContact O-NZ 3.2Å; R339-K381 WeakPolarHBondContact O-CE 3.47Å; R339-K381 PolarHBondContact O-NZ 3.47Å; R339-K381 VanDerWaalsContact O-NZ 3.12Å; D341-K381 HydrophobicContact CB-CD 4.32Å; D341-K381 IonicContact OD1-NZ 3.71Å; D341-K381 PolarHBondContact OD1-NZ 2.89Å; D341-K381 WeakPolarHBondContact OD2-CD 3.25Å; D341-K381 IonicContact OD2-NZ 3.04Å; D341-K381 PolarHBondContact OD2-NZ 3.5Å; N379-K381 PolarHBondContact OD1-N 3.13Å
382	E	82.1	Confident	88.3	Confident	138 Å²	138	60 Å²	60	65%	0.645	34%	0.338	S	S	*	.	S	Bend	trans	-97.2	150.6	-177.5	-62.5	178.4	168.1	0	0	111.9	P342 N379 G384	P342-E382 WeakPolarHBondContact CG-O 3.41Å; N379-E382 PolarHBondContact ND2-OE2 3.29Å; N379-E382 PolarHBondContact OD1-N 3.43Å; E382-G384 VanDerWaalsContact C-N 3.28Å; E382-G384 PolarHBondContact O-N 2.95Å
383	K	75.8	Confident	88.2	Confident	207 Å²	207	60.6 Å²	60.6	90%	0.9	34%	0.34	S	S	*	.			trans	-68.9	86.9	172.2	-72.7	-175.7	179	-179.9	0	109.6	P342	P342-K383 HydrophobicContact CB-CG 4.26Å
384	G	74.1	Confident	88	Confident	50 Å²	50	61.4 Å²	61.4	52%	0.515	34%	0.344	S	S	.	.			trans	-105.1	161.9	171.3	0	0	0	0	0	112	E382	E382-G384 VanDerWaalsContact C-N 3.28Å; E382-G384 PolarHBondContact O-N 2.95Å
385	E	77.1	Confident	87.9	Confident	126 Å²	126	61.5 Å²	61.5	59%	0.589	35%	0.345	S	S	*	.			trans	-68.1	128.9	170.3	-169.7	-179.2	-167.2	0	0	109.7	S387 N390	E385-S387 PolarHBondContact O-N 2.87Å; E385-N390 PolarHBondContact O-ND2 2.94Å
386	L	82.9	Confident	87.7	Confident	85 Å²	85	59.7 Å²	59.7	45%	0.445	34%	0.338	S	S	.	.			trans	-79.4	70.3	176.7	-60.1	178.5	0	0	0	110	F392 I394	L386-F392 HydrophobicContact CB-CB 4.48Å; L386-F392 HydrophobicContact CB-CG 4.5Å; L386-F392 HydrophobicContact CD2-CD1 3.91Å; L386-F392 HydrophobicContact CD2-CD2 4.24Å; L386-F392 HydrophobicContact CD2-CE1 3.8Å; L386-F392 HydrophobicContact CD2-CE2 4.15Å; L386-F392 HydrophobicContact CD2-CG 4.13Å; L386-F392 HydrophobicContact CD2-CZ 3.93Å; L386-I394 HydrophobicContact CB-CD1 3.6Å; L386-I394 HydrophobicContact CD1-CD1 3.86Å; L386-I394 HydrophobicContact CG-CD1 4.36Å
387	S	85.3	Confident	87.4	Confident	22 Å²	22	57.4 Å²	57.4	15%	0.154	33%	0.328	C	S	.	.	S	Bend	trans	-116.9	161.9	-177.1	68.8	0	0	0	0	112.4	E385 G389 N390 G391 F392	E385-S387 PolarHBondContact O-N 2.87Å; S387-G389 PolarHBondContact O-N 3.04Å; S387-N390 CarbonylContact O-C 3.58Å; S387-N390 WeakPolarHBondContact O-CA 3.45Å; S387-N390 PolarHBondContact O-N 2.87Å; S387-G391 PolarHBondContact O-N 2.78Å; S387-F392 CarbonylContact C-O 3.55Å; S387-F392 PolarHBondContact O-N 2.97Å
388	A	85.5	Confident	87.1	Confident	45 Å²	45	54.7 Å²	54.7	37%	0.372	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-57.7	-35.4	178.1	0	0	0	0	0	112.1	N390 G391 F392 W393	A388-N390 PolarHBondContact O-N 3.42Å; A388-G391 PolarHBondContact O-N 3.46Å; A388-F392 WeakPolarHBondContact CA-O 3.36Å; A388-F392 PolarHBondContact N-O 3.16Å; A388-W393 HydrophobicContact CB-CG 4.39Å
389	G	85.9	Confident	86.5	Confident	75 Å²	75	56 Å²	56	77%	0.773	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-60.2	-29.3	175.1	0	0	0	0	0	113.6	S387	S387-G389 PolarHBondContact O-N 3.04Å
390	N	89	Confident	85.6	Confident	83 Å²	83	55.6 Å²	55.6	44%	0.444	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-94.2	9.7	176	-67.3	-27.5	0	0	0	113	E385 S387 A388 F392	E385-N390 PolarHBondContact O-ND2 2.94Å; S387-N390 CarbonylContact O-C 3.58Å; S387-N390 WeakPolarHBondContact O-CA 3.45Å; S387-N390 PolarHBondContact O-N 2.87Å; A388-N390 PolarHBondContact O-N 3.42Å; N390-F392 HydrophobicContact CB-CD2 4.12Å; N390-F392 WeakPolarHBondContact O-CD2 3.5Å
391	G	91.5	Very high	84.8	Confident	3 Å²	3	59.8 Å²	59.8	3%	0.031	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	19.5	179.1	0	0	0	0	0	114.8	C374 K375 S387 A388 W393	C374-G391 CarbonylContact C-O 3.57Å; C374-G391 VanDerWaalsContact CA-O 3.26Å; C374-G391 WeakPolarHBondContact CA-O 3.31Å; K375-G391 PolarHBondContact N-O 2.74Å; S387-G391 PolarHBondContact O-N 2.78Å; A388-G391 PolarHBondContact O-N 3.46Å; G391-W393 WeakPolarHBondContact O-CZ3 3.36Å
392	F	92.3	Very high	84.2	Confident	7 Å²	7	57 Å²	57	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.7	177	-65.6	-94.7	0	0	0	111.1	F340 C374 A378 L386 S387 A388 N390 I394 L456	F340-F392 AromaticContact CE1-CE1 3.8Å; F340-F392 HydrophobicContact CE1-CE1 3.8Å; F340-F392 HydrophobicContact CE1-CZ 4.05Å; F340-F392 AromaticContact CZ-CE1 3.93Å; F340-F392 HydrophobicContact CZ-CE1 3.93Å; F340-F392 HydrophobicContact CZ-CZ 4.36Å; C374-F392 HydrophobicContact CB-CD1 3.97Å; C374-F392 HydrophobicContact CB-CE1 4.19Å; C374-F392 WeakPolarHBondContact SG-CD1 3.47Å; C374-F392 WeakPolarHBondContact SG-CE1 3.42Å; A378-F392 HydrophobicContact CB-CD2 4.44Å; A378-F392 HydrophobicContact CB-CE2 3.74Å; A378-F392 HydrophobicContact CB-CZ 3.8Å; L386-F392 HydrophobicContact CB-CB 4.48Å; L386-F392 HydrophobicContact CB-CG 4.5Å; L386-F392 HydrophobicContact CD2-CD1 3.91Å; L386-F392 HydrophobicContact CD2-CD2 4.24Å; L386-F392 HydrophobicContact CD2-CE1 3.8Å; L386-F392 HydrophobicContact CD2-CE2 4.15Å; L386-F392 HydrophobicContact CD2-CG 4.13Å; L386-F392 HydrophobicContact CD2-CZ 3.93Å; S387-F392 CarbonylContact C-O 3.55Å; S387-F392 PolarHBondContact O-N 2.97Å; A388-F392 WeakPolarHBondContact CA-O 3.36Å; A388-F392 PolarHBondContact N-O 3.16Å; N390-F392 HydrophobicContact CB-CD2 4.12Å; N390-F392 WeakPolarHBondContact O-CD2 3.5Å; F392-I394 HydrophobicContact CB-CG2 4.46Å; F392-L456 HydrophobicContact CD1-CD1 3.8Å; F392-L456 HydrophobicContact CE1-CD1 3.95Å
393	W	94.1	Very high	83.5	Confident	12 Å²	12	54.6 Å²	54.6	5%	0.045	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	89.2	171.6	-60.5	-99.2	0	0	0	108.6	G372 V373 K375 A388 G391 L430 F444 T447 F449 L453	G372-W393 WeakPolarHBondContact CA-O 3.43Å; V373-W393 HydrophobicContact CG2-CB 4.03Å; V373-W393 HydrophobicContact CG2-CE3 4.18Å; V373-W393 PolarHBondContact N-O 2.95Å; V373-W393 PolarHBondContact O-N 3.15Å; K375-W393 HydrophobicContact CD-CH2 4.39Å; K375-W393 HydrophobicContact CG-CH2 3.99Å; K375-W393 HydrophobicContact CG-CZ3 3.81Å; A388-W393 HydrophobicContact CB-CG 4.39Å; G391-W393 WeakPolarHBondContact O-CZ3 3.36Å; W393-L430 HydrophobicContact CB-CD2 3.44Å; W393-L430 VanDerWaalsContact CB-CD2 3.44Å; W393-L430 HydrophobicContact CG-CD2 4.31Å; W393-F444 HydrophobicContact CB-CD1 4.42Å; W393-F444 HydrophobicContact CB-CE1 4.14Å; W393-F444 HydrophobicContact CB-CE2 4.24Å; W393-F444 HydrophobicContact CB-CZ 4.05Å; W393-F444 AromaticContact CD1-CD1 3.77Å; W393-F444 HydrophobicContact CG-CE1 4.49Å; W393-T447 HydrophobicContact CZ2-CG2 3.65Å; W393-F449 AromaticContact CD2-CE1 3.99Å; W393-F449 HydrophobicContact CD2-CE1 3.99Å; W393-F449 AromaticContact CE2-CE1 3.79Å; W393-F449 HydrophobicContact CE3-CE1 4.37Å; W393-F449 HydrophobicContact CG-CE1 4.37Å; W393-F449 HydrophobicContact CH2-CD1 4.07Å; W393-F449 HydrophobicContact CH2-CE1 4.34Å; W393-F449 HydrophobicContact CZ2-CD1 4.01Å; W393-F449 HydrophobicContact CZ2-CE1 4.01Å; W393-F449 HydrophobicContact CZ3-CD1 4.46Å; W393-L453 HydrophobicContact CE3-CD2 4.32Å; W393-L453 HydrophobicContact CH2-CD2 4.25Å; W393-L453 HydrophobicContact CZ3-CD2 3.58Å
394	I	92.9	Very high	82.9	Confident	17 Å²	17	46 Å²	46	9%	0.087	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.9	-172	63.4	168.9	0	0	0	111.3	A370 L371 L386 F392 V396 L456	A370-I394 HydrophobicContact CB-CD1 4.37Å; L371-I394 CarbonylContact O-C 3.57Å; L371-I394 WeakPolarHBondContact O-CA 3.3Å; L386-I394 HydrophobicContact CB-CD1 3.6Å; L386-I394 HydrophobicContact CD1-CD1 3.86Å; L386-I394 HydrophobicContact CG-CD1 4.36Å; F392-I394 HydrophobicContact CB-CG2 4.46Å; I394-V396 HydrophobicContact CD1-CG2 3.8Å; I394-V396 HydrophobicContact CG1-CG2 4.12Å; I394-L456 HydrophobicContact CG2-CD1 4.19Å; I394-L456 HydrophobicContact CG2-CD2 3.88Å; I394-L456 HydrophobicContact CG2-CG 4.48Å
395	L	91.6	Very high	82.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.6	166.2	-178.2	63.8	0	0	0	108.2	W369 A370 L371 Y402 F432 L441 F442	W369-L395 HydrophobicContact CH2-CD2 4.36Å; W369-L395 HydrophobicContact CZ3-CD2 4.49Å; W369-L395 HydrophobicContact CZ3-CG 4.48Å; A370-L395 VanDerWaalsContact CA-O 3.27Å; A370-L395 WeakPolarHBondContact CA-O 3.39Å; L371-L395 PolarHBondContact N-O 3.42Å; L371-L395 PolarHBondContact O-N 2.8Å; L395-Y402 HydrophobicContact CD1-CD1 3.74Å; L395-Y402 HydrophobicContact CD1-CE1 4.48Å; L395-Y402 HydrophobicContact CD1-CG 3.85Å; L395-Y402 HydrophobicContact CD2-CD1 3.99Å; L395-Y402 HydrophobicContact CD2-CE1 3.89Å; L395-Y402 HydrophobicContact CG-CD1 3.74Å; L395-Y402 HydrophobicContact CG-CE1 4.11Å; L395-Y402 HydrophobicContact CG-CG 4.35Å; L395-F432 HydrophobicContact CB-CD1 3.86Å; L395-F432 HydrophobicContact CB-CD2 4.25Å; L395-F432 HydrophobicContact CB-CE1 3.79Å; L395-F432 HydrophobicContact CB-CE2 4.23Å; L395-F432 HydrophobicContact CB-CG 4.09Å; L395-F432 HydrophobicContact CB-CZ 3.99Å; L395-F432 HydrophobicContact CD2-CB 3.69Å; L395-F432 HydrophobicContact CD2-CD1 3.87Å; L395-F432 HydrophobicContact CD2-CD2 4.36Å; L395-F432 HydrophobicContact CD2-CG 3.71Å; L395-L441 HydrophobicContact CD2-CB 4.21Å; L395-F442 HydrophobicContact CD1-CB 3.72Å; L395-F442 HydrophobicContact CD1-CD1 4.34Å; L395-F442 HydrophobicContact CD1-CD2 4.45Å; L395-F442 HydrophobicContact CD1-CG 3.92Å; L395-F442 HydrophobicContact CD2-CB 4.03Å; L395-F442 HydrophobicContact CG-CB 4.45Å
396	V	90.4	Very high	81.1	Confident	22 Å²	22	48.8 Å²	48.8	13%	0.133	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.9	-179	-179.2	0	0	0	0	109.5	W369 A370 I394 L398 Y402 N403 L460	W369-V396 CarbonylContact O-C 3.6Å; W369-V396 WeakPolarHBondContact O-CA 3.41Å; A370-V396 HydrophobicContact CB-CB 4.41Å; A370-V396 HydrophobicContact CB-CG2 3.83Å; I394-V396 HydrophobicContact CD1-CG2 3.8Å; I394-V396 HydrophobicContact CG1-CG2 4.12Å; V396-L398 HydrophobicContact CG1-CD2 4.05Å; V396-L398 HydrophobicContact CG1-CG 4.16Å; V396-Y402 CarbonylContact O-C 3.56Å; V396-Y402 WeakPolarHBondContact O-CA 3.4Å; V396-N403 HydrophobicContact CB-CB 4.13Å; V396-N403 HydrophobicContact CG1-CB 4.31Å; V396-N403 PolarHBondContact O-N 3.43Å; V396-L460 HydrophobicContact CG1-CD1 3.78Å
397	F	89.3	Confident	79.7	Confident	7 Å²	7	50.6 Å²	50.6	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.5	173	-179.5	-113.4	0	0	0	110.7	S368 W369 G399 Y402 L412 P415	S368-F397 WeakPolarHBondContact CA-O 3.28Å; S368-F397 WeakPolarHBondContact CB-O 3.34Å; W369-F397 AromaticContact CD1-CD1 3.76Å; W369-F397 HydrophobicContact CD2-CB 3.62Å; W369-F397 HydrophobicContact CD2-CG 4.45Å; W369-F397 AromaticContact CE2-CD1 3.84Å; W369-F397 AromaticContact CE2-CG 3.81Å; W369-F397 HydrophobicContact CE3-CB 4Å; W369-F397 HydrophobicContact CG-CB 4.16Å; W369-F397 HydrophobicContact CG-CD1 4.49Å; W369-F397 HydrophobicContact CH2-CB 4.01Å; W369-F397 HydrophobicContact CZ2-CB 3.62Å; W369-F397 HydrophobicContact CZ2-CD1 4.37Å; W369-F397 AromaticContact CZ2-CG 3.99Å; W369-F397 HydrophobicContact CZ2-CG 3.99Å; W369-F397 HydrophobicContact CZ3-CB 4.17Å; W369-F397 PolarHBondContact N-O 3.04Å; W369-F397 VanDerWaalsContact N-O 3.11Å; W369-F397 AromaticContact NE1-CD1 3.3Å; W369-F397 VanDerWaalsContact NE1-CD1 3.3Å; W369-F397 AromaticContact NE1-CG 3.78Å; W369-F397 PolarHBondContact O-N 3.26Å; F397-G399 WeakPolarHBondContact CZ-O 3.48Å; F397-Y402 HydrophobicContact CB-CD1 3.89Å; F397-Y402 HydrophobicContact CB-CE1 3.82Å; F397-Y402 AromaticContact CD2-CD1 3.91Å; F397-Y402 HydrophobicContact CD2-CD1 3.91Å; F397-Y402 AromaticContact CD2-CE1 3.66Å; F397-Y402 HydrophobicContact CD2-CE1 3.66Å; F397-Y402 HydrophobicContact CG-CD1 4.39Å; F397-Y402 HydrophobicContact CG-CE1 4.11Å; F397-L412 HydrophobicContact CE2-CD1 4.3Å; F397-P415 HydrophobicContact CE1-CB 4.41Å; F397-P415 HydrophobicContact CE2-CB 4.23Å; F397-P415 HydrophobicContact CZ-CB 3.71Å; F397-P415 HydrophobicContact CZ-CG 4.38Å
398	L	86.5	Confident	78.1	Confident	71 Å²	71	51 Å²	51	37%	0.372	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	48	179.1	-61.5	178.6	0	0	0	111.4	T367 V396 S400 F401 N403 L460	T367-L398 CarbonylContact O-C 3.51Å; V396-L398 HydrophobicContact CG1-CD2 4.05Å; V396-L398 HydrophobicContact CG1-CG 4.16Å; L398-S400 PolarHBondContact O-N 3.46Å; L398-F401 HydrophobicContact CB-CE1 4.42Å; L398-F401 HydrophobicContact CB-CE2 4.44Å; L398-F401 HydrophobicContact CB-CZ 4.19Å; L398-F401 HydrophobicContact CD1-CE2 4.06Å; L398-F401 HydrophobicContact CD1-CZ 4.01Å; L398-F401 PolarHBondContact N-O 3.33Å; L398-N403 HydrophobicContact CD1-CB 4.06Å; L398-L460 HydrophobicContact CD2-CD1 4.42Å
399	G	78.1	Confident	76.6	Confident	40 Å²	40	53.4 Å²	53.4	41%	0.412	32%	0.319	S	S	.	.	S	Bend	trans	80.5	-32.6	167.8	0	0	0	0	0	115.4	T367 F397	T367-G399 WeakPolarHBondContact O-CA 3.43Å; T367-G399 PolarHBondContact O-N 3.2Å; F397-G399 WeakPolarHBondContact CZ-O 3.48Å
400	S	73.3	Confident	75.1	Confident	76 Å²	76	51.7 Å²	51.7	53%	0.531	30%	0.295	S	S	.	.	S	Bend	trans	-133.5	-18.5	179.6	50.7	0	0	0	0	114.2	L398	L398-S400 PolarHBondContact O-N 3.46Å
401	F	73.2	Confident	73.4	Confident	103 Å²	103	50 Å²	50	45%	0.452	29%	0.288	S	S	.	.	S	Bend	trans	-147.6	162.3	179.5	62.8	-85.8	0	0	0	110.5	L398 N403	L398-F401 HydrophobicContact CB-CE1 4.42Å; L398-F401 HydrophobicContact CB-CE2 4.44Å; L398-F401 HydrophobicContact CB-CZ 4.19Å; L398-F401 HydrophobicContact CD1-CE2 4.06Å; L398-F401 HydrophobicContact CD1-CZ 4.01Å; L398-F401 PolarHBondContact N-O 3.33Å; F401-N403 HydrophobicContact CE2-CB 4.48Å
402	Y	76.8	Confident	71.8	Confident	8 Å²	8	51.9 Å²	51.9	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.5	167.6	-59.8	-74.5	0	0	0	110.4	W369 L395 V396 F397 S404 A408 L412 L441	W369-Y402 HydrophobicContact CH2-CD1 4.49Å; W369-Y402 AromaticContact CH2-CE1 3.6Å; W369-Y402 HydrophobicContact CH2-CE1 3.6Å; W369-Y402 AromaticContact CZ2-CE1 3.92Å; W369-Y402 HydrophobicContact CZ2-CE1 3.92Å; W369-Y402 HydrophobicContact CZ3-CE1 4.42Å; L395-Y402 HydrophobicContact CD1-CD1 3.74Å; L395-Y402 HydrophobicContact CD1-CE1 4.48Å; L395-Y402 HydrophobicContact CD1-CG 3.85Å; L395-Y402 HydrophobicContact CD2-CD1 3.99Å; L395-Y402 HydrophobicContact CD2-CE1 3.89Å; L395-Y402 HydrophobicContact CG-CD1 3.74Å; L395-Y402 HydrophobicContact CG-CE1 4.11Å; L395-Y402 HydrophobicContact CG-CG 4.35Å; V396-Y402 CarbonylContact O-C 3.56Å; V396-Y402 WeakPolarHBondContact O-CA 3.4Å; F397-Y402 HydrophobicContact CB-CD1 3.89Å; F397-Y402 HydrophobicContact CB-CE1 3.82Å; F397-Y402 AromaticContact CD2-CD1 3.91Å; F397-Y402 HydrophobicContact CD2-CD1 3.91Å; F397-Y402 AromaticContact CD2-CE1 3.66Å; F397-Y402 HydrophobicContact CD2-CE1 3.66Å; F397-Y402 HydrophobicContact CG-CD1 4.39Å; F397-Y402 HydrophobicContact CG-CE1 4.11Å; Y402-S404 PolarHBondContact O-N 3.48Å; Y402-A408 VanDerWaalsContact O-CB 3.31Å; Y402-A408 WeakPolarHBondContact O-CB 3.17Å; Y402-L412 HydrophobicContact CD2-CD1 4.37Å; Y402-L412 HydrophobicContact CE1-CD1 4.49Å; Y402-L412 HydrophobicContact CE2-CD1 3.29Å; Y402-L412 HydrophobicContact CE2-CD2 4.44Å; Y402-L412 HydrophobicContact CE2-CG 3.93Å; Y402-L412 WeakPolarHBondContact OH-CD1 3.19Å; Y402-L441 HydrophobicContact CE2-CB 4.36Å; Y402-L441 HydrophobicContact CE2-CD2 4.32Å; Y402-L441 WeakPolarHBondContact OH-CD2 3.34Å
403	N	69	Low	70.5	Confident	86 Å²	86	62 Å²	62	46%	0.46	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	102.7	170.6	-174	15.9	0	0	0	108.6	V396 L398 F401	V396-N403 HydrophobicContact CB-CB 4.13Å; V396-N403 HydrophobicContact CG1-CB 4.31Å; V396-N403 PolarHBondContact O-N 3.43Å; L398-N403 HydrophobicContact CD1-CB 4.06Å; F401-N403 HydrophobicContact CE2-CB 4.48Å
404	S	63.1	Low	69.6	Low	28 Å²	28	67.7 Å²	67.7	20%	0.196	37%	0.366	C	S	.	.			trans	-131.3	147.6	170.1	51.9	0	0	0	0	109.5	Y402 E406 A408	Y402-S404 PolarHBondContact O-N 3.48Å; S404-E406 CarbonylContact C-O 3.31Å; S404-E406 WeakPolarHBondContact CB-O 3.47Å; S404-E406 PolarHBondContact O-N 2.82Å; S404-E406 PolarHBondContact OG-O 3.31Å; S404-A408 WeakPolarHBondContact OG-CA 3.47Å; S404-A408 WeakPolarHBondContact OG-CB 3.5Å; S404-A408 PolarHBondContact OG-N 2.88Å
405	N	57.2	Low	69	Low	143 Å²	143	70 Å²	70	77%	0.765	38%	0.383	S	S	*	.	S	Bend	trans	-66.9	-18.2	174.5	-74.4	-4.2	0	0	0	112.2
406	E	55.5	Low	68.8	Low	91 Å²	91	70.3 Å²	70.3	43%	0.425	39%	0.385	S	S	.	.	S	Bend	trans	-98.3	156.1	168.4	-62.6	-164.5	166.2	0	0	110	S404 A408 F442 P445	S404-E406 CarbonylContact C-O 3.31Å; S404-E406 WeakPolarHBondContact CB-O 3.47Å; S404-E406 PolarHBondContact O-N 2.82Å; S404-E406 PolarHBondContact OG-O 3.31Å; E406-A408 PolarHBondContact O-N 3.47Å; E406-F442 HydrophobicContact CB-CE2 4.34Å; E406-F442 HydrophobicContact CB-CZ 4.37Å; E406-P445 WeakPolarHBondContact OE1-CG 3.36Å
407	P	52.5	Low	68.8	Low	122 Å²	122	74.1 Å²	74.1	79%	0.792	40%	0.399	S	S	*	.			trans	-58.1	104.9	-179.8	-13.1	24.9	0	0	0	109.4	F409	P407-F409 PolarHBondContact O-N 2.98Å
408	A	52.6	Low	69	Low	30 Å²	30	77.9 Å²	77.9	25%	0.248	41%	0.413	C	S	.	.			trans	-58.4	130.6	172.8	0	0	0	0	0	109	Y402 S404 E406 S410	Y402-A408 VanDerWaalsContact O-CB 3.31Å; Y402-A408 WeakPolarHBondContact O-CB 3.17Å; S404-A408 WeakPolarHBondContact OG-CA 3.47Å; S404-A408 WeakPolarHBondContact OG-CB 3.5Å; S404-A408 PolarHBondContact OG-N 2.88Å; E406-A408 PolarHBondContact O-N 3.47Å; A408-S410 PolarHBondContact O-N 3.41Å
409	F	54.8	Low	69.4	Low	97 Å²	97	74.5 Å²	74.5	43%	0.425	40%	0.396	S	S	.	.	S	Bend	trans	-59.6	106.7	177.8	-66	-83.6	0	0	0	109.9	P407 F442 I443	P407-F409 PolarHBondContact O-N 2.98Å; F409-F442 HydrophobicContact CD2-CD2 4.49Å; F409-I443 HydrophobicContact CE2-CG2 4.33Å
410	S	53.8	Low	70.2	Confident	39 Å²	39	72.6 Å²	72.6	27%	0.273	38%	0.376	S	S	.	.			trans	57.9	138.5	161.9	48.9	0	0	0	0	117.8	A408 L412	A408-S410 PolarHBondContact O-N 3.41Å; S410-L412 PolarHBondContact O-N 3.19Å; S410-L412 VanDerWaalsContact O-N 3.15Å
411	P	52.1	Low	71.4	Confident	47 Å²	47	69 Å²	69	31%	0.305	35%	0.351	S	S	.	.			trans	-57.7	124	158.9	-2	13.1	0	0	0	108.2	E283 R413	E283-P411 HydrophobicContact CG-CB 3.95Å; E283-P411 HydrophobicContact CG-CG 3.98Å; P411-R413 PolarHBondContact O-N 3.09Å
412	L	59.7	Low	72.5	Confident	43 Å²	43	64.8 Å²	64.8	23%	0.225	33%	0.332	C	S	.	.			trans	-73	117.9	-179.2	-70.6	163.4	0	0	0	108.8	F397 Y402 S410 D414 P415 L441	F397-L412 HydrophobicContact CE2-CD1 4.3Å; Y402-L412 HydrophobicContact CD2-CD1 4.37Å; Y402-L412 HydrophobicContact CE1-CD1 4.49Å; Y402-L412 HydrophobicContact CE2-CD1 3.29Å; Y402-L412 HydrophobicContact CE2-CD2 4.44Å; Y402-L412 HydrophobicContact CE2-CG 3.93Å; Y402-L412 WeakPolarHBondContact OH-CD1 3.19Å; S410-L412 PolarHBondContact O-N 3.19Å; S410-L412 VanDerWaalsContact O-N 3.15Å; L412-D414 PolarHBondContact O-N 3.22Å; L412-P415 HydrophobicContact CD1-CB 4.32Å; L412-L441 HydrophobicContact CD2-CD2 4.1Å
413	R	63.4	Low	73.5	Confident	220 Å²	220	64.4 Å²	64.4	83%	0.83	33%	0.331	S	S	*	.	S	Bend	trans	-55.9	-42	170.4	-174.4	179.8	-178.7	-169.7	-0.8	111.1	P411	P411-R413 PolarHBondContact O-N 3.09Å
414	D	75.6	Confident	74.9	Confident	130 Å²	130	61.8 Å²	61.8	70%	0.695	32%	0.317	S	S	*	.	S	Bend	trans	-131.8	108.4	176	-66.1	-58.7	0	0	0	108.6	L412	L412-D414 PolarHBondContact O-N 3.22Å
415	P	81.1	Confident	76.5	Confident	67 Å²	67	62.1 Å²	62.1	44%	0.435	31%	0.314	S	S	.	.			trans	-65.7	141.9	179.2	25.7	-32.7	0	0	0	111.4	F397 L412 K417	F397-P415 HydrophobicContact CE1-CB 4.41Å; F397-P415 HydrophobicContact CE2-CB 4.23Å; F397-P415 HydrophobicContact CZ-CB 3.71Å; F397-P415 HydrophobicContact CZ-CG 4.38Å; L412-P415 HydrophobicContact CD1-CB 4.32Å; P415-K417 PolarHBondContact O-N 3.48Å
416	P	86.4	Confident	78.4	Confident	7 Å²	7	61.1 Å²	61.1	5%	0.045	31%	0.305	C	S	.	.			trans	-68.5	130.9	-176.7	28.2	-34.9	0	0	0	110.4	V363 R418 V419 L441	V363-P416 WeakPolarHBondContact CG2-O 3.17Å; P416-R418 VanDerWaalsContact C-N 3.26Å; P416-V419 HydrophobicContact CB-CG2 4.46Å; P416-V419 HydrophobicContact CG-CG2 4.03Å; P416-L441 HydrophobicContact CG-CD1 3.87Å; P416-L441 HydrophobicContact CG-CD2 4.11Å
417	K	91.2	Very high	80.3	Confident	101 Å²	101	59.3 Å²	59.3	44%	0.439	31%	0.306	S	S	.	.	S	Bend	trans	-75.6	-20.6	172.1	-60.9	-165.3	178.8	-141.3	0	112.4	E362 V363 G364 D365 P415	E362-K417 CarbonylContact C-O 3.4Å; E362-K417 VanDerWaalsContact OE1-O 3.08Å; V363-K417 WeakPolarHBondContact CG2-O 3.44Å; V363-K417 PolarHBondContact N-O 3.15Å; G364-K417 PolarHBondContact N-O 3.45Å; D365-K417 VanDerWaalsContact OD1-CE 3.3Å; D365-K417 WeakPolarHBondContact OD1-CE 3.32Å; D365-K417 IonicContact OD1-NZ 2.73Å; D365-K417 PolarHBondContact OD1-NZ 3.17Å; D365-K417 IonicContact OD2-NZ 3.77Å; P415-K417 PolarHBondContact O-N 3.48Å
418	R	93.8	Very high	82.4	Confident	86 Å²	86	53.8 Å²	53.8	33%	0.325	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129	177.1	-170.6	-176.5	-63.8	173.3	2.4	110.8	E360 V361 E362 P416 A435	E360-R418 HydrophobicContact CB-CG 4.16Å; V361-R418 CarbonylContact O-C 3.58Å; V361-R418 VanDerWaalsContact O-CA 3.3Å; V361-R418 WeakPolarHBondContact O-CA 3.35Å; E362-R418 IonicContact OE2-CZ 3.22Å; E362-R418 VanDerWaalsContact OE2-CZ 3.22Å; E362-R418 IonicContact OE2-NE 2.78Å; E362-R418 PolarHBondContact OE2-NE 3.4Å; E362-R418 IonicContact OE2-NH2 2.77Å; E362-R418 PolarHBondContact OE2-NH2 2.62Å; P416-R418 VanDerWaalsContact C-N 3.26Å; R418-A435 HydrophobicContact CB-CB 3.99Å; R418-A435 HydrophobicContact CG-CB 3.67Å; R418-A435 PolarHBondContact O-N 3.08Å
419	V	94.4	Very high	84.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.3	-179.3	-178.6	0	0	0	0	109.3	E360 V361 V363 W369 L371 P416 I421 F432 Y433 L441	E360-V419 CarbonylContact C-O 3.43Å; E360-V419 VanDerWaalsContact CA-O 3.31Å; E360-V419 WeakPolarHBondContact CA-O 3.46Å; V361-V419 PolarHBondContact N-O 3.09Å; V361-V419 PolarHBondContact O-N 3.18Å; V363-V419 HydrophobicContact CG1-CG2 4.39Å; V363-V419 HydrophobicContact CG2-CG2 4.15Å; W369-V419 HydrophobicContact CH2-CG1 4.45Å; W369-V419 HydrophobicContact CH2-CG2 3.66Å; W369-V419 HydrophobicContact CZ2-CG2 3.72Å; W369-V419 HydrophobicContact CZ3-CG2 4.5Å; L371-V419 HydrophobicContact CD1-CB 3.76Å; L371-V419 HydrophobicContact CD1-CG1 3.92Å; L371-V419 HydrophobicContact CD1-CG2 4.15Å; P416-V419 HydrophobicContact CB-CG2 4.46Å; P416-V419 HydrophobicContact CG-CG2 4.03Å; V419-I421 HydrophobicContact CG1-CD1 4.18Å; V419-F432 HydrophobicContact CG1-CD1 4.36Å; V419-Y433 CarbonylContact C-O 3.59Å; V419-Y433 WeakPolarHBondContact CA-O 3.29Å; V419-L441 HydrophobicContact CG1-CD1 3.98Å; V419-L441 HydrophobicContact CG2-CD1 4.25Å
420	G	95.7	Very high	86.4	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.1	170.1	0	0	0	0	0	110.7	W359 F432 Y433	W359-G420 CarbonylContact O-C 3.53Å; W359-G420 WeakPolarHBondContact O-CA 3.24Å; G420-F432 CarbonylContact O-C 3.6Å; G420-F432 WeakPolarHBondContact O-CA 3.41Å; G420-Y433 PolarHBondContact N-O 3.37Å; G420-Y433 PolarHBondContact O-N 3.33Å
421	I	97.1	Very high	88.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126	175.9	-56.3	79.9	0	0	0	107.4	Y358 W359 V361 L371 V419 L430 F432	Y358-I421 VanDerWaalsContact CA-O 3.28Å; Y358-I421 WeakPolarHBondContact CA-O 3.33Å; Y358-I421 WeakPolarHBondContact CD2-O 3.34Å; W359-I421 HydrophobicContact CD2-CB 4.07Å; W359-I421 HydrophobicContact CH2-CB 4.29Å; W359-I421 HydrophobicContact CH2-CG2 3.71Å; W359-I421 HydrophobicContact CZ2-CB 3.78Å; W359-I421 HydrophobicContact CZ2-CG1 4.38Å; W359-I421 HydrophobicContact CZ2-CG2 3.47Å; W359-I421 VanDerWaalsContact CZ2-CG2 3.47Å; W359-I421 HydrophobicContact CZ3-CG2 4.35Å; W359-I421 PolarHBondContact N-O 3.22Å; W359-I421 PolarHBondContact O-N 3.22Å; V361-I421 HydrophobicContact CG2-CD1 3.93Å; L371-I421 HydrophobicContact CD1-CD1 4.35Å; V419-I421 HydrophobicContact CG1-CD1 4.18Å; I421-L430 HydrophobicContact CG2-CD1 3.82Å; I421-F432 HydrophobicContact CG1-CD1 3.79Å; I421-F432 HydrophobicContact CG1-CE1 3.76Å; I421-F432 HydrophobicContact CG2-CE1 4.14Å; I421-F432 HydrophobicContact CG2-CZ 4.41Å
422	F	97.5	Very high	90.3	Very high	15 Å²	15	45.9 Å²	45.9	7%	0.066	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.5	174.6	179.9	-115.3	0	0	0	110.5	L297 F300 R356 H357 Y358 D424 H429 L430 S431 Y433	L297-F422 HydrophobicContact CD1-CB 4.15Å; L297-F422 HydrophobicContact CD1-CG 4.37Å; L297-F422 HydrophobicContact CD2-CB 4.42Å; L297-F422 HydrophobicContact CD2-CD1 3.9Å; L297-F422 HydrophobicContact CD2-CD2 3.77Å; L297-F422 HydrophobicContact CD2-CE1 4.07Å; L297-F422 HydrophobicContact CD2-CE2 3.93Å; L297-F422 HydrophobicContact CD2-CG 3.75Å; L297-F422 HydrophobicContact CD2-CZ 4.08Å; F300-F422 HydrophobicContact CB-CE2 4.38Å; F300-F422 AromaticContact CD2-CE2 3.74Å; F300-F422 HydrophobicContact CD2-CE2 3.74Å; F300-F422 HydrophobicContact CD2-CZ 4.43Å; F300-F422 HydrophobicContact CE2-CE2 4.38Å; F300-F422 HydrophobicContact CG-CE2 4.21Å; R356-F422 HydrophobicContact CB-CE2 4.02Å; R356-F422 HydrophobicContact CB-CZ 4.19Å; R356-F422 HydrophobicContact CG-CE2 4.31Å; R356-F422 HydrophobicContact CG-CZ 3.96Å; H357-F422 WeakPolarHBondContact O-CA 3.39Å; H357-F422 WeakPolarHBondContact O-CD2 3.16Å; Y358-F422 HydrophobicContact CD2-CB 4Å; Y358-F422 HydrophobicContact CD2-CD2 4.46Å; F422-D424 HydrophobicContact CE1-CB 4.04Å; F422-D424 HydrophobicContact CZ-CB 4.13Å; F422-H429 AromaticContact CD1-CD2 3.92Å; F422-L430 WeakPolarHBondContact O-CA 3.1Å; F422-S431 PolarHBondContact N-O 3.36Å; F422-S431 PolarHBondContact O-N 3.16Å; F422-Y433 HydrophobicContact CB-CE2 4.01Å
423	L	97.8	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.6	175.1	172.2	65.4	0	0	0	109.1	I352 R356 H357 W359 V373 H429 L430 F449 L453	I352-L423 HydrophobicContact CB-CD2 4.39Å; I352-L423 HydrophobicContact CD1-CD2 3.98Å; I352-L423 HydrophobicContact CG2-CD2 3.72Å; R356-L423 CarbonylContact C-O 3.52Å; R356-L423 VanDerWaalsContact CA-O 3.28Å; R356-L423 WeakPolarHBondContact CA-O 3.38Å; H357-L423 PolarHBondContact N-O 3.09Å; H357-L423 PolarHBondContact O-N 3.11Å; W359-L423 HydrophobicContact CH2-CB 4.47Å; W359-L423 HydrophobicContact CZ3-CB 4.33Å; V373-L423 HydrophobicContact CG1-CD2 4.4Å; L423-H429 WeakPolarHBondContact CA-O 3.44Å; L423-L430 HydrophobicContact CB-CD1 4.24Å; L423-L430 HydrophobicContact CD1-CD1 4.38Å; L423-F449 HydrophobicContact CD1-CD2 4.03Å; L423-F449 HydrophobicContact CD1-CE2 3.46Å; L423-F449 VanDerWaalsContact CD1-CE2 3.46Å; L423-F449 HydrophobicContact CD1-CZ 3.92Å; L423-L453 HydrophobicContact CD1-CD1 4.36Å; L423-L453 HydrophobicContact CD2-CD1 4.09Å
424	D	97.5	Very high	93.2	Very high	31 Å²	31	34.3 Å²	34.3	17%	0.166	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	103.5	163.2	-168.5	-36.1	0	0	0	107.7	R356 F422 A427 G428 H429	R356-D424 VanDerWaalsContact CD-OD2 3.26Å; R356-D424 WeakPolarHBondContact CD-OD2 3.39Å; R356-D424 HydrophobicContact CG-CB 3.91Å; R356-D424 VanDerWaalsContact CG-CG 3.44Å; R356-D424 VanDerWaalsContact CG-OD2 3.28Å; R356-D424 WeakPolarHBondContact CG-OD2 3.44Å; F422-D424 HydrophobicContact CE1-CB 4.04Å; F422-D424 HydrophobicContact CZ-CB 4.13Å; D424-A427 HydrophobicContact CB-CB 3.96Å; D424-A427 VanDerWaalsContact CG-CB 3.42Å; D424-A427 WeakPolarHBondContact OD1-CB 3.48Å; D424-A427 PolarHBondContact OD1-N 3.2Å; D424-A427 VanDerWaalsContact OD1-N 3.08Å; D424-G428 PolarHBondContact O-N 3.09Å; D424-G428 VanDerWaalsContact O-N 3.09Å; D424-H429 HydrophobicContact CB-CB 4.07Å; D424-H429 PolarHBondContact N-O 3.34Å; D424-H429 PolarHBondContact O-N 3.38Å
425	Y	97.3	Very high	93.9	Very high	35 Å²	35	28.6 Å²	28.6	14%	0.137	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-46.8	-171	-174.5	-84	0	0	0	111.5	I352 T353 G355 G428 F449 G451 L453	I352-Y425 HydrophobicContact CG2-CD2 4.25Å; T353-Y425 WeakPolarHBondContact O-CE1 3.22Å; G355-Y425 WeakPolarHBondContact O-CB 3.32Å; G355-Y425 PolarHBondContact O-N 3.36Å; Y425-G428 PolarHBondContact O-N 3.18Å; Y425-F449 HydrophobicContact CD2-CB 4.18Å; Y425-F449 HydrophobicContact CE2-CB 3.92Å; Y425-G451 PolarHBondContact OH-N 3.03Å; Y425-G451 PolarHBondContact OH-O 2.9Å; Y425-L453 HydrophobicContact CD2-CD1 4.15Å; Y425-L453 HydrophobicContact CE2-CD1 4.18Å; Y425-L453 HydrophobicContact CE2-CG 4.24Å
426	E	96.4	Very high	94.1	Very high	122 Å²	122	30.1 Å²	30.1	57%	0.57	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-34.8	-178.4	-68.1	78.4	-172.5	0	0	112.8	S354 G355 G428	S354-E426 VanDerWaalsContact CA-OE1 3.28Å; S354-E426 WeakPolarHBondContact CA-OE1 3.44Å; S354-E426 WeakPolarHBondContact CB-OE1 3.46Å; G355-E426 VanDerWaalsContact CA-OE2 3.23Å; G355-E426 WeakPolarHBondContact CA-OE2 3.45Å; G355-E426 PolarHBondContact N-OE1 3.21Å; G355-E426 PolarHBondContact N-OE2 3.4Å; E426-G428 PolarHBondContact O-N 3.22Å
427	A	96.2	Very high	94.1	Very high	54 Å²	54	32.6 Å²	32.6	45%	0.446	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.7	175.7	0	0	0	0	0	113.3	D424 H429	D424-A427 HydrophobicContact CB-CB 3.96Å; D424-A427 VanDerWaalsContact CG-CB 3.42Å; D424-A427 WeakPolarHBondContact OD1-CB 3.48Å; D424-A427 PolarHBondContact OD1-N 3.2Å; D424-A427 VanDerWaalsContact OD1-N 3.08Å; A427-H429 HydrophobicContact CB-CB 4.34Å; A427-H429 PolarHBondContact O-N 2.98Å
428	G	95.6	Very high	93.9	Very high	6 Å²	6	28.1 Å²	28.1	6%	0.062	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	23.9	-177.8	0	0	0	0	0	113.9	D424 Y425 E426 E446 T447 F449	D424-G428 PolarHBondContact O-N 3.09Å; D424-G428 VanDerWaalsContact O-N 3.09Å; Y425-G428 PolarHBondContact O-N 3.18Å; E426-G428 PolarHBondContact O-N 3.22Å; G428-E446 WeakPolarHBondContact O-CA 3.2Å; G428-T447 WeakPolarHBondContact CA-O 3.35Å; G428-T447 PolarHBondContact O-N 3.26Å; G428-F449 VanDerWaalsContact C-CE2 3.44Å
429	H	96	Very high	93.7	Very high	47 Å²	47	24.6 Å²	24.6	22%	0.218	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.6	-169.5	-174.4	98.4	0	0	0	111	F422 L423 D424 A427 S431 I443	F422-H429 AromaticContact CD1-CD2 3.92Å; L423-H429 WeakPolarHBondContact CA-O 3.44Å; D424-H429 HydrophobicContact CB-CB 4.07Å; D424-H429 PolarHBondContact N-O 3.34Å; D424-H429 PolarHBondContact O-N 3.38Å; A427-H429 HydrophobicContact CB-CB 4.34Å; A427-H429 PolarHBondContact O-N 2.98Å; H429-S431 PolarHBondContact CD2-OG 3.41Å; H429-S431 PolarHBondContact NE2-OG 3.15Å; H429-I443 WeakPolarHBondContact CE1-CD1 3.47Å
430	L	96.1	Very high	93.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.1	174.2	176.8	70.2	0	0	0	109.6	V373 W393 I421 F422 L423 F432 F444 F449	V373-L430 HydrophobicContact CG1-CD1 4.45Å; V373-L430 HydrophobicContact CG2-CD1 4.34Å; V373-L430 HydrophobicContact CG2-CD2 3.75Å; W393-L430 HydrophobicContact CB-CD2 3.44Å; W393-L430 VanDerWaalsContact CB-CD2 3.44Å; W393-L430 HydrophobicContact CG-CD2 4.31Å; I421-L430 HydrophobicContact CG2-CD1 3.82Å; F422-L430 WeakPolarHBondContact O-CA 3.1Å; L423-L430 HydrophobicContact CB-CD1 4.24Å; L423-L430 HydrophobicContact CD1-CD1 4.38Å; L430-F432 HydrophobicContact CD1-CE2 4.39Å; L430-F432 HydrophobicContact CD1-CZ 4.47Å; L430-F432 HydrophobicContact CD2-CE2 4.06Å; L430-F432 HydrophobicContact CD2-CZ 4.24Å; L430-F432 HydrophobicContact CG-CE2 3.86Å; L430-F432 HydrophobicContact CG-CZ 4.29Å; L430-F444 HydrophobicContact CB-CB 4.33Å; L430-F444 HydrophobicContact CB-CD2 4.36Å; L430-F444 HydrophobicContact CD2-CD2 3.62Å; L430-F444 HydrophobicContact CD2-CE2 3.97Å; L430-F444 HydrophobicContact CD2-CG 4.27Å; L430-F444 HydrophobicContact CG-CD2 4.02Å; L430-F444 PolarHBondContact O-N 3.27Å; L430-F449 HydrophobicContact CB-CZ 4.13Å
431	S	94.4	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.8	-177.9	44.6	0	0	0	0	112.8	F422 H429 Y433 F442	F422-S431 PolarHBondContact N-O 3.36Å; F422-S431 PolarHBondContact O-N 3.16Å; H429-S431 PolarHBondContact CD2-OG 3.41Å; H429-S431 PolarHBondContact NE2-OG 3.15Å; S431-Y433 WeakPolarHBondContact CB-OH 3.32Å; S431-Y433 VanDerWaalsContact OG-CE2 3.25Å; S431-Y433 WeakPolarHBondContact OG-CE2 3.45Å; S431-Y433 PolarHBondContact OG-OH 3.42Å; S431-F442 CarbonylContact C-O 3.57Å; S431-F442 WeakPolarHBondContact CA-O 3.38Å
432	F	94.1	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.2	-175.3	-63	-100.6	0	0	0	109.1	L371 L395 V419 G420 I421 L430 L441 F442 F444	L371-F432 HydrophobicContact CB-CE1 4.29Å; L371-F432 VanDerWaalsContact O-CE1 3.31Å; L371-F432 WeakPolarHBondContact O-CE1 3.29Å; L395-F432 HydrophobicContact CB-CD1 3.86Å; L395-F432 HydrophobicContact CB-CD2 4.25Å; L395-F432 HydrophobicContact CB-CE1 3.79Å; L395-F432 HydrophobicContact CB-CE2 4.23Å; L395-F432 HydrophobicContact CB-CG 4.09Å; L395-F432 HydrophobicContact CB-CZ 3.99Å; L395-F432 HydrophobicContact CD2-CB 3.69Å; L395-F432 HydrophobicContact CD2-CD1 3.87Å; L395-F432 HydrophobicContact CD2-CD2 4.36Å; L395-F432 HydrophobicContact CD2-CG 3.71Å; V419-F432 HydrophobicContact CG1-CD1 4.36Å; G420-F432 CarbonylContact O-C 3.6Å; G420-F432 WeakPolarHBondContact O-CA 3.41Å; I421-F432 HydrophobicContact CG1-CD1 3.79Å; I421-F432 HydrophobicContact CG1-CE1 3.76Å; I421-F432 HydrophobicContact CG2-CE1 4.14Å; I421-F432 HydrophobicContact CG2-CZ 4.41Å; L430-F432 HydrophobicContact CD1-CE2 4.39Å; L430-F432 HydrophobicContact CD1-CZ 4.47Å; L430-F432 HydrophobicContact CD2-CE2 4.06Å; L430-F432 HydrophobicContact CD2-CZ 4.24Å; L430-F432 HydrophobicContact CG-CE2 3.86Å; L430-F432 HydrophobicContact CG-CZ 4.29Å; F432-L441 HydrophobicContact CB-CB 4.16Å; F432-L441 WeakPolarHBondContact O-CB 3.31Å; F432-L441 PolarHBondContact O-N 2.68Å; F432-F442 HydrophobicContact CB-CB 4.38Å; F432-F442 HydrophobicContact CD2-CB 4.26Å; F432-F442 HydrophobicContact CD2-CD1 4.32Å; F432-F442 PolarHBondContact N-O 2.88Å; F432-F442 PolarHBondContact O-N 2.82Å; F432-F444 HydrophobicContact CD2-CE2 4.42Å; F432-F444 AromaticContact CE2-CD2 3.75Å; F432-F444 HydrophobicContact CE2-CD2 3.75Å; F432-F444 AromaticContact CE2-CE2 3.51Å; F432-F444 HydrophobicContact CE2-CE2 3.51Å; F432-F444 HydrophobicContact CZ-CE2 4.13Å
433	Y	92.1	Very high	92.2	Very high	14 Å²	14	30.1 Å²	30.1	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.4	-175.8	-57.6	-90.8	0	0	0	110.6	L293 L297 V419 G420 F422 S431 A435 S439 L440 L441	L293-Y433 HydrophobicContact CD2-CD1 4.39Å; L293-Y433 HydrophobicContact CD2-CE1 3.59Å; L293-Y433 HydrophobicContact CG-CE1 4.41Å; L297-Y433 HydrophobicContact CD1-CD2 3.79Å; L297-Y433 HydrophobicContact CD1-CE1 4.29Å; L297-Y433 HydrophobicContact CD1-CE2 3.4Å; L297-Y433 VanDerWaalsContact CD1-CE2 3.4Å; L297-Y433 HydrophobicContact CD1-CG 4.39Å; V419-Y433 CarbonylContact C-O 3.59Å; V419-Y433 WeakPolarHBondContact CA-O 3.29Å; G420-Y433 PolarHBondContact N-O 3.37Å; G420-Y433 PolarHBondContact O-N 3.33Å; F422-Y433 HydrophobicContact CB-CE2 4.01Å; S431-Y433 WeakPolarHBondContact CB-OH 3.32Å; S431-Y433 VanDerWaalsContact OG-CE2 3.25Å; S431-Y433 WeakPolarHBondContact OG-CE2 3.45Å; S431-Y433 PolarHBondContact OG-OH 3.42Å; Y433-A435 PolarHBondContact O-N 3.04Å; Y433-S439 CarbonylContact C-O 3.56Å; Y433-S439 VanDerWaalsContact CA-O 3.22Å; Y433-S439 WeakPolarHBondContact CA-O 3.2Å; Y433-L440 HydrophobicContact CD1-CB 4.45Å; Y433-L440 HydrophobicContact CD1-CD1 4.05Å; Y433-L440 HydrophobicContact CE1-CB 4.4Å; Y433-L440 HydrophobicContact CE1-CD1 3.59Å; Y433-L441 VanDerWaalsContact C-CD1 3.44Å
434	S	90.5	Very high	91.9	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	113.1	160.1	161.6	0	0	0	0	107.5	T436 D437 G438 S439	S434-T436 PolarHBondContact O-N 3.09Å; S434-T436 PolarHBondContact OG-N 2.84Å; S434-D437 WeakPolarHBondContact CB-OD1 3.49Å; S434-D437 PolarHBondContact OG-N 3.19Å; S434-D437 PolarHBondContact OG-OD1 3.01Å; S434-G438 WeakPolarHBondContact O-CA 3.42Å; S434-G438 PolarHBondContact O-N 3.16Å; S434-S439 WeakPolarHBondContact CB-OG 3.35Å; S434-S439 PolarHBondContact N-O 3.29Å
435	A	90.1	Very high	91.5	Very high	11 Å²	11	33.1 Å²	33.1	9%	0.091	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6.9	176.7	0	0	0	0	0	112.3	E360 R418 Y433	E360-A435 HydrophobicContact CG-CB 4.09Å; R418-A435 HydrophobicContact CB-CB 3.99Å; R418-A435 HydrophobicContact CG-CB 3.67Å; R418-A435 PolarHBondContact O-N 3.08Å; Y433-A435 PolarHBondContact O-N 3.04Å
436	T	85.7	Confident	91	Very high	99 Å²	99	39.4 Å²	39.4	61%	0.607	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-50.8	177.6	-56.4	0	0	0	0	111.4	S434	S434-T436 PolarHBondContact O-N 3.09Å; S434-T436 PolarHBondContact OG-N 2.84Å
437	D	86	Confident	90.6	Very high	59 Å²	59	35 Å²	35	32%	0.316	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-14.5	-176.6	67.2	-5	0	0	0	113.8	V287 R289 S434 S439	V287-D437 WeakPolarHBondContact CG1-OD2 3.22Å; R289-D437 WeakPolarHBondContact CD-O 3.42Å; R289-D437 PolarHBondContact NE-O 3.49Å; R289-D437 PolarHBondContact NH1-O 2.97Å; S434-D437 WeakPolarHBondContact CB-OD1 3.49Å; S434-D437 PolarHBondContact OG-N 3.19Å; S434-D437 PolarHBondContact OG-OD1 3.01Å; D437-S439 WeakPolarHBondContact OD1-CB 3.4Å; D437-S439 PolarHBondContact OD1-N 3.44Å; D437-S439 PolarHBondContact OD1-OG 2.93Å; D437-S439 PolarHBondContact OD2-OG 3.36Å
438	G	88	Confident	90.4	Very high	7 Å²	7	40.5 Å²	40.5	7%	0.072	22%	0.219	C	C	.	.			trans	85.9	13	-179.4	0	0	0	0	0	115.2	S434	S434-G438 WeakPolarHBondContact O-CA 3.42Å; S434-G438 PolarHBondContact O-N 3.16Å
439	S	88.3	Confident	90.2	Very high	11 Å²	11	41.2 Å²	41.2	8%	0.077	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-76.9	151.2	177.8	59.7	0	0	0	0	112.8	Y433 S434 D437	Y433-S439 CarbonylContact C-O 3.56Å; Y433-S439 VanDerWaalsContact CA-O 3.22Å; Y433-S439 WeakPolarHBondContact CA-O 3.2Å; S434-S439 WeakPolarHBondContact CB-OG 3.35Å; S434-S439 PolarHBondContact N-O 3.29Å; D437-S439 WeakPolarHBondContact OD1-CB 3.4Å; D437-S439 PolarHBondContact OD1-N 3.44Å; D437-S439 PolarHBondContact OD1-OG 2.93Å; D437-S439 PolarHBondContact OD2-OG 3.36Å
440	L	88.8	Confident	90	Very high	63 Å²	63	42.1 Å²	42.1	33%	0.33	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.7	171.9	-177.9	71.4	0	0	0	109.7	Y433 I443	Y433-L440 HydrophobicContact CD1-CB 4.45Å; Y433-L440 HydrophobicContact CD1-CD1 4.05Å; Y433-L440 HydrophobicContact CE1-CB 4.4Å; Y433-L440 HydrophobicContact CE1-CD1 3.59Å; L440-I443 HydrophobicContact CD1-CB 4.49Å; L440-I443 HydrophobicContact CD2-CB 4.46Å; L440-I443 HydrophobicContact CD2-CG2 4.23Å
441	L	87.5	Confident	90	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-46.1	174.8	-57.3	173.9	0	0	0	110.9	L395 Y402 L412 P416 V419 F432 Y433	L395-L441 HydrophobicContact CD2-CB 4.21Å; Y402-L441 HydrophobicContact CE2-CB 4.36Å; Y402-L441 HydrophobicContact CE2-CD2 4.32Å; Y402-L441 WeakPolarHBondContact OH-CD2 3.34Å; L412-L441 HydrophobicContact CD2-CD2 4.1Å; P416-L441 HydrophobicContact CG-CD1 3.87Å; P416-L441 HydrophobicContact CG-CD2 4.11Å; V419-L441 HydrophobicContact CG1-CD1 3.98Å; V419-L441 HydrophobicContact CG2-CD1 4.25Å; F432-L441 HydrophobicContact CB-CB 4.16Å; F432-L441 WeakPolarHBondContact O-CB 3.31Å; F432-L441 PolarHBondContact O-N 2.68Å; Y433-L441 VanDerWaalsContact C-CD1 3.44Å
442	F	88.5	Confident	90.2	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	149.5	-177.6	-168.3	-104.3	0	0	0	111.1	L395 E406 F409 S431 F432 F444	L395-F442 HydrophobicContact CD1-CB 3.72Å; L395-F442 HydrophobicContact CD1-CD1 4.34Å; L395-F442 HydrophobicContact CD1-CD2 4.45Å; L395-F442 HydrophobicContact CD1-CG 3.92Å; L395-F442 HydrophobicContact CD2-CB 4.03Å; L395-F442 HydrophobicContact CG-CB 4.45Å; E406-F442 HydrophobicContact CB-CE2 4.34Å; E406-F442 HydrophobicContact CB-CZ 4.37Å; F409-F442 HydrophobicContact CD2-CD2 4.49Å; S431-F442 CarbonylContact C-O 3.57Å; S431-F442 WeakPolarHBondContact CA-O 3.38Å; F432-F442 HydrophobicContact CB-CB 4.38Å; F432-F442 HydrophobicContact CD2-CB 4.26Å; F432-F442 HydrophobicContact CD2-CD1 4.32Å; F432-F442 PolarHBondContact N-O 2.88Å; F432-F442 PolarHBondContact O-N 2.82Å; F442-F444 AromaticContact CD1-CD2 3.77Å; F442-F444 HydrophobicContact CD1-CD2 3.77Å; F442-F444 AromaticContact CD1-CE2 3.73Å; F442-F444 HydrophobicContact CD1-CE2 3.73Å; F442-F444 HydrophobicContact CD1-CG 4.42Å; F442-F444 HydrophobicContact CD1-CZ 4.34Å; F442-F444 HydrophobicContact CE1-CD1 4.01Å; F442-F444 AromaticContact CE1-CD2 3.57Å; F442-F444 HydrophobicContact CE1-CD2 3.57Å; F442-F444 HydrophobicContact CE1-CE1 4.03Å; F442-F444 AromaticContact CE1-CE2 3.58Å; F442-F444 HydrophobicContact CE1-CE2 3.58Å; F442-F444 AromaticContact CE1-CG 3.81Å; F442-F444 HydrophobicContact CE1-CG 3.81Å; F442-F444 AromaticContact CE1-CZ 3.81Å; F442-F444 HydrophobicContact CE1-CZ 3.81Å
443	I	90.3	Very high	90.3	Very high	60 Å²	60	46.2 Å²	46.2	31%	0.308	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.2	172.3	-179.4	171.3	0	0	0	107.6	F409 H429 L440	F409-I443 HydrophobicContact CE2-CG2 4.33Å; H429-I443 WeakPolarHBondContact CE1-CD1 3.47Å; L440-I443 HydrophobicContact CD1-CB 4.49Å; L440-I443 HydrophobicContact CD2-CB 4.46Å; L440-I443 HydrophobicContact CD2-CG2 4.23Å
444	F	90.4	Very high	90.6	Very high	31 Å²	31	45.7 Å²	45.7	14%	0.136	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-76.4	145	171	-82.4	-91.6	0	0	0	109.9	W393 L430 F432 F442	W393-F444 HydrophobicContact CB-CD1 4.42Å; W393-F444 HydrophobicContact CB-CE1 4.14Å; W393-F444 HydrophobicContact CB-CE2 4.24Å; W393-F444 HydrophobicContact CB-CZ 4.05Å; W393-F444 AromaticContact CD1-CD1 3.77Å; W393-F444 HydrophobicContact CG-CE1 4.49Å; L430-F444 HydrophobicContact CB-CB 4.33Å; L430-F444 HydrophobicContact CB-CD2 4.36Å; L430-F444 HydrophobicContact CD2-CD2 3.62Å; L430-F444 HydrophobicContact CD2-CE2 3.97Å; L430-F444 HydrophobicContact CD2-CG 4.27Å; L430-F444 HydrophobicContact CG-CD2 4.02Å; L430-F444 PolarHBondContact O-N 3.27Å; F432-F444 HydrophobicContact CD2-CE2 4.42Å; F432-F444 AromaticContact CE2-CD2 3.75Å; F432-F444 HydrophobicContact CE2-CD2 3.75Å; F432-F444 AromaticContact CE2-CE2 3.51Å; F432-F444 HydrophobicContact CE2-CE2 3.51Å; F432-F444 HydrophobicContact CZ-CE2 4.13Å; F442-F444 AromaticContact CD1-CD2 3.77Å; F442-F444 HydrophobicContact CD1-CD2 3.77Å; F442-F444 AromaticContact CD1-CE2 3.73Å; F442-F444 HydrophobicContact CD1-CE2 3.73Å; F442-F444 HydrophobicContact CD1-CG 4.42Å; F442-F444 HydrophobicContact CD1-CZ 4.34Å; F442-F444 HydrophobicContact CE1-CD1 4.01Å; F442-F444 AromaticContact CE1-CD2 3.57Å; F442-F444 HydrophobicContact CE1-CD2 3.57Å; F442-F444 HydrophobicContact CE1-CE1 4.03Å; F442-F444 AromaticContact CE1-CE2 3.58Å; F442-F444 HydrophobicContact CE1-CE2 3.58Å; F442-F444 AromaticContact CE1-CG 3.81Å; F442-F444 HydrophobicContact CE1-CG 3.81Å; F442-F444 AromaticContact CE1-CZ 3.81Å; F442-F444 HydrophobicContact CE1-CZ 3.81Å
445	P	88.8	Confident	90.9	Very high	63 Å²	63	45.4 Å²	45.4	41%	0.409	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-51.4	147.1	165.2	-24.4	32.8	0	0	0	111.1	E406 T447	E406-P445 WeakPolarHBondContact OE1-CG 3.36Å; P445-T447 PolarHBondContact O-N 2.84Å; P445-T447 VanDerWaalsContact O-N 3.08Å; P445-T447 PolarHBondContact O-OG1 3.32Å
446	E	88.1	Confident	91.3	Very high	168 Å²	168	45 Å²	45	79%	0.785	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-51.6	120.8	178.5	-70.9	-177.9	-177.4	0	0	110.3	G428	G428-E446 WeakPolarHBondContact O-CA 3.2Å
447	T	87.5	Confident	91.8	Very high	30 Å²	30	40.3 Å²	40.3	18%	0.184	23%	0.231	C	C	.	.			trans	-118.3	129.2	-172.9	-62.3	0	0	0	0	109.6	W393 G428 P445 F449	W393-T447 HydrophobicContact CZ2-CG2 3.65Å; G428-T447 WeakPolarHBondContact CA-O 3.35Å; G428-T447 PolarHBondContact O-N 3.26Å; P445-T447 PolarHBondContact O-N 2.84Å; P445-T447 VanDerWaalsContact O-N 3.08Å; P445-T447 PolarHBondContact O-OG1 3.32Å; T447-F449 VanDerWaalsContact C-N 3.31Å; T447-F449 HydrophobicContact CG2-CD1 3.75Å; T447-F449 HydrophobicContact CG2-CE1 3.66Å; T447-F449 HydrophobicContact CG2-CZ 4.34Å; T447-F449 PolarHBondContact O-N 3.35Å
448	L	90.7	Very high	92.3	Very high	169 Å²	169	37.6 Å²	37.6	89%	0.885	22%	0.216	S	C	*	.			trans	-73.2	87.1	169.3	-64.5	175.1	0	0	0	110.1
449	F	93.1	Very high	92.6	Very high	20 Å²	20	37.3 Å²	37.3	9%	0.088	21%	0.213	C	C	.	.			trans	-63.4	138	175.4	-61	-56.4	0	0	0	110.5	W393 L423 Y425 G428 L430 T447 L453	W393-F449 AromaticContact CD2-CE1 3.99Å; W393-F449 HydrophobicContact CD2-CE1 3.99Å; W393-F449 AromaticContact CE2-CE1 3.79Å; W393-F449 HydrophobicContact CE3-CE1 4.37Å; W393-F449 HydrophobicContact CG-CE1 4.37Å; W393-F449 HydrophobicContact CH2-CD1 4.07Å; W393-F449 HydrophobicContact CH2-CE1 4.34Å; W393-F449 HydrophobicContact CZ2-CD1 4.01Å; W393-F449 HydrophobicContact CZ2-CE1 4.01Å; W393-F449 HydrophobicContact CZ3-CD1 4.46Å; L423-F449 HydrophobicContact CD1-CD2 4.03Å; L423-F449 HydrophobicContact CD1-CE2 3.46Å; L423-F449 VanDerWaalsContact CD1-CE2 3.46Å; L423-F449 HydrophobicContact CD1-CZ 3.92Å; Y425-F449 HydrophobicContact CD2-CB 4.18Å; Y425-F449 HydrophobicContact CE2-CB 3.92Å; G428-F449 VanDerWaalsContact C-CE2 3.44Å; L430-F449 HydrophobicContact CB-CZ 4.13Å; T447-F449 VanDerWaalsContact C-N 3.31Å; T447-F449 HydrophobicContact CG2-CD1 3.75Å; T447-F449 HydrophobicContact CG2-CE1 3.66Å; T447-F449 HydrophobicContact CG2-CZ 4.34Å; T447-F449 PolarHBondContact O-N 3.35Å; F449-L453 HydrophobicContact CB-CD1 4.13Å; F449-L453 HydrophobicContact CD1-CD1 3.68Å; F449-L453 HydrophobicContact CD2-CD1 4.32Å; F449-L453 HydrophobicContact CE1-CD1 4.15Å; F449-L453 HydrophobicContact CG-CD1 3.79Å
450	S	92	Very high	92.8	Very high	67 Å²	67	38.9 Å²	38.9	47%	0.469	22%	0.221	S	C	.	.			trans	-142.5	139.8	176.7	49.9	0	0	0	0	110.1
451	G	95.1	Very high	92.7	Very high	49 Å²	49	36.7 Å²	36.7	51%	0.505	21%	0.21	S	C	.	.	S	Bend	trans	75.5	-169	-174.3	0	0	0	0	0	112.9	Y425	Y425-G451 PolarHBondContact OH-N 3.03Å; Y425-G451 PolarHBondContact OH-O 2.9Å
452	T	97.7	Very high	92.6	Very high	36 Å²	36	40.5 Å²	40.5	22%	0.221	24%	0.237	C	C	.	.			trans	-80.6	130.5	-179.2	-48.5	0	0	0	0	111.1	R351 T353 E376	R351-T452 HydrophobicContact CB-CG2 3.56Å; R351-T452 HydrophobicContact CG-CG2 3.84Å; T353-T452 HydrophobicContact CG2-CG2 4.01Å; E376-T452 HydrophobicContact CB-CG2 4.28Å; E376-T452 PolarHBondContact N-O 2.96Å; E376-T452 WeakPolarHBondContact OE2-CB 3.35Å; E376-T452 VanDerWaalsContact OE2-CG2 3.24Å; E376-T452 WeakPolarHBondContact OE2-CG2 3.26Å; E376-T452 PolarHBondContact OE2-OG1 2.99Å
453	L	97.7	Very high	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	148.8	167.9	-61.7	-179.6	0	0	0	110.5	I352 V373 C374 K375 W393 L423 Y425 F449	I352-L453 HydrophobicContact CB-CB 4.43Å; I352-L453 PolarHBondContact N-O 3.43Å; I352-L453 PolarHBondContact O-N 3.36Å; V373-L453 HydrophobicContact CG2-CD1 4.31Å; C374-L453 CarbonylContact O-C 3.59Å; C374-L453 WeakPolarHBondContact O-CA 3.37Å; K375-L453 HydrophobicContact CG-CD2 4.02Å; W393-L453 HydrophobicContact CE3-CD2 4.32Å; W393-L453 HydrophobicContact CH2-CD2 4.25Å; W393-L453 HydrophobicContact CZ3-CD2 3.58Å; L423-L453 HydrophobicContact CD1-CD1 4.36Å; L423-L453 HydrophobicContact CD2-CD1 4.09Å; Y425-L453 HydrophobicContact CD2-CD1 4.15Å; Y425-L453 HydrophobicContact CE2-CD1 4.18Å; Y425-L453 HydrophobicContact CE2-CG 4.24Å; F449-L453 HydrophobicContact CB-CD1 4.13Å; F449-L453 HydrophobicContact CD1-CD1 3.68Å; F449-L453 HydrophobicContact CD2-CD1 4.32Å; F449-L453 HydrophobicContact CE1-CD1 4.15Å; F449-L453 HydrophobicContact CG-CD1 3.79Å
454	R	97.5	Very high	92.2	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.011	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135	176.1	-59.3	-70.4	-65.4	-88.9	-8.7	108.7	D307 L347 G348 E350 R351 V373 C374 E376	D307-R454 IonicContact OD2-CZ 2.76Å; D307-R454 IonicContact OD2-NH1 3.51Å; D307-R454 IonicContact OD2-NH2 2.99Å; D307-R454 PolarHBondContact OD2-NH2 2.94Å; L347-R454 HydrophobicContact CB-CB 4.21Å; L347-R454 HydrophobicContact CD1-CB 3.96Å; L347-R454 HydrophobicContact CD1-CG 4.18Å; L347-R454 HydrophobicContact CD2-CB 4.23Å; L347-R454 HydrophobicContact CG-CB 4.35Å; G348-R454 PolarHBondContact O-NE 3.11Å; G348-R454 PolarHBondContact O-NH2 2.86Å; E350-R454 VanDerWaalsContact O-CD 3.27Å; E350-R454 WeakPolarHBondContact O-CD 3.34Å; E350-R454 PolarHBondContact O-NE 3.03Å; R351-R454 VanDerWaalsContact CZ-NH1 3.32Å; V373-R454 CarbonylContact C-O 3.58Å; V373-R454 VanDerWaalsContact CA-O 3.3Å; V373-R454 WeakPolarHBondContact CA-O 3.43Å; C374-R454 PolarHBondContact N-O 3.42Å; C374-R454 PolarHBondContact O-N 3.22Å; E376-R454 HydrophobicContact CB-CG 4.13Å; E376-R454 HydrophobicContact CG-CG 4.49Å; E376-R454 IonicContact OE1-NH1 3.79Å; E376-R454 PolarHBondContact OE1-NH1 2.95Å
455	P	97.9	Very high	92.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	142.1	168.4	-22	32.4	0	0	0	110.7	I304 L347 G348 E350 I352 W359 G372 F457	I304-P455 HydrophobicContact CD1-CB 4.38Å; I304-P455 HydrophobicContact CD1-CG 3.81Å; I304-P455 HydrophobicContact CG2-CB 4.34Å; I304-P455 HydrophobicContact CG2-CG 4.26Å; L347-P455 CarbonylContact C-O 3.53Å; L347-P455 WeakPolarHBondContact CA-O 3.34Å; L347-P455 WeakPolarHBondContact CD2-O 3.27Å; G348-P455 PolarHBondContact N-O 2.95Å; E350-P455 WeakPolarHBondContact O-CD 3.25Å; I352-P455 HydrophobicContact CD1-CG 4.21Å; W359-P455 HydrophobicContact CH2-CG 4.46Å; W359-P455 HydrophobicContact CZ2-CB 3.9Å; W359-P455 HydrophobicContact CZ2-CG 4.27Å; G372-P455 CarbonylContact O-C 3.2Å; P455-F457 HydrophobicContact CB-CE2 3.67Å; P455-F457 HydrophobicContact CB-CZ 3.76Å
456	L	97.2	Very high	92.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.2	-179.4	-177	152.6	0	0	0	110.6	F340 L347 G372 C374 F392 I394	F340-L456 HydrophobicContact CZ-CD1 4.37Å; L347-L456 HydrophobicContact CD2-CB 3.95Å; L347-L456 HydrophobicContact CD2-CD1 4.15Å; L347-L456 HydrophobicContact CD2-CG 4.15Å; G372-L456 PolarHBondContact N-O 3.33Å; G372-L456 VanDerWaalsContact N-O 3.09Å; G372-L456 PolarHBondContact O-N 2.92Å; C374-L456 HydrophobicContact CB-CB 4.39Å; C374-L456 HydrophobicContact CB-CD1 3.8Å; F392-L456 HydrophobicContact CD1-CD1 3.8Å; F392-L456 HydrophobicContact CE1-CD1 3.95Å; I394-L456 HydrophobicContact CG2-CD1 4.19Å; I394-L456 HydrophobicContact CG2-CD2 3.88Å; I394-L456 HydrophobicContact CG2-CG 4.48Å
457	F	97.4	Very high	92.8	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.8	179.6	-48.4	-89.9	0	0	0	110	I304 L306 V324 V346 W359 V361 L371 P455 M467 I469	I304-F457 HydrophobicContact CG2-CE2 4.07Å; I304-F457 HydrophobicContact CG2-CZ 3.75Å; L306-F457 HydrophobicContact CD2-CB 4.35Å; L306-F457 HydrophobicContact CD2-CD2 3.31Å; L306-F457 HydrophobicContact CD2-CE2 3.7Å; L306-F457 HydrophobicContact CD2-CG 3.91Å; V324-F457 HydrophobicContact CG1-CB 4.42Å; V346-F457 HydrophobicContact CG1-CB 4.02Å; V346-F457 WeakPolarHBondContact CG1-O 3.42Å; V346-F457 PolarHBondContact N-O 2.78Å; V346-F457 PolarHBondContact O-N 3.03Å; W359-F457 AromaticContact NE1-CE1 3.86Å; W359-F457 AromaticContact NE1-CZ 3.9Å; V361-F457 HydrophobicContact CG1-CD1 4.45Å; V361-F457 HydrophobicContact CG2-CD1 3.97Å; V361-F457 HydrophobicContact CG2-CE1 3.55Å; L371-F457 HydrophobicContact CD2-CB 4.49Å; L371-F457 HydrophobicContact CD2-CD1 3.74Å; P455-F457 HydrophobicContact CB-CE2 3.67Å; P455-F457 HydrophobicContact CB-CZ 3.76Å; F457-M467 HydrophobicContact CB-SD 3.92Å; F457-M467 HydrophobicContact CD1-SD 4.33Å; F457-I469 HydrophobicContact CD1-CG1 4.31Å; F457-I469 HydrophobicContact CE1-CD1 4.09Å; F457-I469 HydrophobicContact CE1-CG1 3.74Å; F457-I469 HydrophobicContact CE2-CD1 4.06Å; F457-I469 HydrophobicContact CZ-CD1 3.79Å; F457-I469 HydrophobicContact CZ-CG1 3.91Å
458	S	95.4	Very high	93.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	101.2	179.6	-175.4	0	0	0	0	111.9	P344 W369 A370 L460	P344-S458 WeakPolarHBondContact O-CA 3.3Å; P344-S458 WeakPolarHBondContact O-CB 3.47Å; P344-S458 PolarHBondContact O-OG 3.27Å; W369-S458 CarbonylContact C-O 3.56Å; W369-S458 VanDerWaalsContact CA-O 3.25Å; W369-S458 WeakPolarHBondContact CA-O 3.31Å; A370-S458 PolarHBondContact N-O 3.03Å; A370-S458 PolarHBondContact O-N 3.44Å; S458-L460 PolarHBondContact O-N 2.89Å; S458-L460 VanDerWaalsContact O-N 3.15Å; S458-L460 WeakPolarHBondContact OG-CD2 3.5Å
459	P	94.7	Very high	93.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	96.8	167.6	30.1	-31.7	0	0	0	109.3	L315 V324 M467	L315-P459 HydrophobicContact CD2-CG 3.62Å; V324-P459 HydrophobicContact CG1-CG 4.35Å; V324-P459 HydrophobicContact CG2-CG 4.05Å; P459-M467 HydrophobicContact CB-CE 4.31Å
460	L	91.7	Very high	93.6	Very high	45 Å²	45	29.7 Å²	29.7	24%	0.236	20%	0.2	C	C	.	.			trans	-70.8	-43.7	-174.7	-63.8	175.5	0	0	0	111.5	R326 P344 S368 A370 V396 L398 S458	R326-L460 PolarHBondContact NH1-O 3.35Å; P344-L460 HydrophobicContact CG-CD2 4.19Å; S368-L460 PolarHBondContact O-N 2.99Å; S368-L460 VanDerWaalsContact O-N 3.14Å; A370-L460 HydrophobicContact CB-CD1 4.38Å; V396-L460 HydrophobicContact CG1-CD1 3.78Å; L398-L460 HydrophobicContact CD2-CD1 4.42Å; S458-L460 PolarHBondContact O-N 2.89Å; S458-L460 VanDerWaalsContact O-N 3.15Å; S458-L460 WeakPolarHBondContact OG-CD2 3.5Å
461	S	88.5	Confident	93.4	Very high	17 Å²	17	33.7 Å²	33.7	12%	0.119	21%	0.205	C	C	.	.	S	Bend	trans	-83.6	144.6	172.5	54	0	0	0	0	111.8	T367 S368 S463	T367-S461 WeakPolarHBondContact OG1-CB 3.44Å; T367-S461 PolarHBondContact OG1-OG 2.94Å; T367-S461 VanDerWaalsContact OG1-OG 3.11Å; S368-S461 PolarHBondContact N-OG 3.18Å; S368-S461 PolarHBondContact O-N 2.93Å; S368-S461 VanDerWaalsContact O-N 3.13Å; S368-S461 PolarHBondContact O-OG 3.47Å; S368-S461 VanDerWaalsContact OG-CB 3.31Å; S368-S461 WeakPolarHBondContact OG-CB 3.48Å; S368-S461 PolarHBondContact OG-N 3.35Å; S368-S461 VanDerWaalsContact OG-N 3.14Å; S461-S463 PolarHBondContact O-N 3.05Å
462	S	85.6	Confident	92.5	Very high	81 Å²	81	35.2 Å²	35.2	57%	0.566	20%	0.201	S	C	*	.			trans	-70.6	126.5	162.5	-170.2	0	0	0	0	108.7	R326	R326-S462 PolarHBondContact O-OG 3.43Å
463	S	86	Confident	91.1	Very high	21 Å²	21	41.4 Å²	41.4	15%	0.147	23%	0.231	C	C	.	.			trans	-140	143	-178.9	174.7	0	0	0	0	108.8	S461 T465	S461-S463 PolarHBondContact O-N 3.05Å; S463-T465 PolarHBondContact O-N 3.23Å; S463-T465 PolarHBondContact OG-N 3.36Å; S463-T465 PolarHBondContact OG-O 2.94Å
464	P	84.1	Confident	88.8	Confident	126 Å²	126	44.1 Å²	44.1	82%	0.818	26%	0.259	S	S	*	.	S	Bend	trans	-66	-19.5	173.1	28.4	-35.3	0	0	0	112.6
465	T	89	Confident	86	Confident	62 Å²	62	51 Å²	51	38%	0.38	30%	0.301	S	S	.	.	S	Bend	trans	-96.5	117.4	177.8	-49.3	0	0	0	0	109.6	Q366 S463	Q366-T465 PolarHBondContact NE2-O 2.95Å; S463-T465 PolarHBondContact O-N 3.23Å; S463-T465 PolarHBondContact OG-N 3.36Å; S463-T465 PolarHBondContact OG-O 2.94Å
466	P	93.7	Very high	83.1	Confident	40 Å²	40	55.8 Å²	55.8	26%	0.26	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-69	153.9	178.2	30.8	-35.9	0	0	0	110.9	Q325	Q325-P466 HydrophobicContact CB-CB 4.1Å
467	M	95.7	Very high	80.2	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.9	167.1	178	-172	-67.9	0	0	107.9	S323 V324 V361 E362 V363 Q366 W369 L371 F457 P459	S323-M467 CarbonylContact C-O 3.57Å; S323-M467 VanDerWaalsContact CA-O 3.23Å; S323-M467 WeakPolarHBondContact CA-O 3.39Å; V324-M467 HydrophobicContact CG1-CB 4.1Å; V324-M467 HydrophobicContact CG1-CG 4.48Å; V324-M467 HydrophobicContact CG1-SD 4.31Å; V324-M467 PolarHBondContact N-O 3.39Å; V324-M467 PolarHBondContact O-N 3.05Å; V361-M467 HydrophobicContact CG1-CG 3.27Å; V361-M467 HydrophobicContact CG1-SD 3.92Å; E362-M467 CarbonylContact O-C 3.48Å; E362-M467 WeakPolarHBondContact O-CA 3.18Å; V363-M467 HydrophobicContact CG1-CE 4.37Å; V363-M467 HydrophobicContact CG1-CG 4.43Å; Q366-M467 VanDerWaalsContact NE2-N 3.17Å; W369-M467 HydrophobicContact CB-CE 3.53Å; W369-M467 HydrophobicContact CG-CE 4.37Å; L371-M467 HydrophobicContact CD2-CE 4.07Å; L371-M467 HydrophobicContact CD2-SD 3.62Å; F457-M467 HydrophobicContact CB-SD 3.92Å; F457-M467 HydrophobicContact CD1-SD 4.33Å; P459-M467 HydrophobicContact CB-CE 4.31Å
468	T	96.7	Very high	77.2	Confident	41 Å²	41	65.2 Å²	65.2	25%	0.252	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125	-171.1	-61.3	0	0	0	0	112.3	R322 S323 V361 E362 C470	R322-T468 CarbonylContact O-C 3.36Å; R322-T468 WeakPolarHBondContact O-CA 3.33Å; S323-T468 WeakPolarHBondContact CB-OG1 3.48Å; S323-T468 WeakPolarHBondContact OG-CG2 3.09Å; S323-T468 PolarHBondContact OG-OG1 3.44Å; V361-T468 CarbonylContact C-O 3.47Å; V361-T468 WeakPolarHBondContact CA-O 3.32Å; E362-T468 PolarHBondContact N-O 2.74Å; E362-T468 PolarHBondContact O-N 3.21Å; T468-C470 PolarHBondContact O-N 3.4Å
469	I	96.9	Very high	74.4	Confident	5 Å²	5	71.5 Å²	71.5	3%	0.026	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.8	172.3	-58.7	154.5	0	0	0	109.1	I304 L306 R322 F457 R471	I304-I469 HydrophobicContact CB-CG2 4.16Å; I304-I469 HydrophobicContact CG2-CD1 4.01Å; I304-I469 HydrophobicContact CG2-CG2 4.48Å; I304-I469 WeakPolarHBondContact O-CG2 3.38Å; L306-I469 HydrophobicContact CD1-CD1 4.45Å; L306-I469 HydrophobicContact CD2-CD1 3.61Å; L306-I469 HydrophobicContact CG-CD1 3.71Å; R322-I469 PolarHBondContact O-N 3.14Å; F457-I469 HydrophobicContact CD1-CG1 4.31Å; F457-I469 HydrophobicContact CE1-CD1 4.09Å; F457-I469 HydrophobicContact CE1-CG1 3.74Å; F457-I469 HydrophobicContact CE2-CD1 4.06Å; F457-I469 HydrophobicContact CZ-CD1 3.79Å; F457-I469 HydrophobicContact CZ-CG1 3.91Å; I469-R471 PolarHBondContact O-N 2.67Å
470	C	94.3	Very high	71.8	Confident	23 Å²	23	79.8 Å²	79.8	16%	0.155	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-66.8	132.4	-178.7	-68.4	0	0	0	0	111.3	E360 T468	E360-C470 HydrophobicContact CB-CB 3.95Å; E360-C470 WeakPolarHBondContact O-CB 3.25Å; E360-C470 PolarHBondContact O-N 2.84Å; T468-C470 PolarHBondContact O-N 3.4Å
471	R	87.8	Confident	69	Low	152 Å²	152	80.3 Å²	80.3	57%	0.574	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-67.7	151	175.1	-63.8	-173.8	178.3	169.3	0.7	111.3	D320 I469 I473	D320-R471 IonicContact OD2-CZ 3.56Å; D320-R471 IonicContact OD2-NE 2.94Å; D320-R471 IonicContact OD2-NH2 3.27Å; D320-R471 PolarHBondContact OD2-NH2 3.17Å; I469-R471 PolarHBondContact O-N 2.67Å; R471-I473 PolarHBondContact O-N 2.86Å
472	L	77.3	Confident	66.8	Low	80 Å²	80	85.8 Å²	85.8	42%	0.419	53%	0.532	S	S	.	.			trans	-63.8	112	157	-85.7	138.2	0	0	0	107.7	R301 D303 G474	R301-L472 HydrophobicContact CB-CD2 4.11Å; R301-L472 HydrophobicContact CG-CD2 3.96Å; R301-L472 HydrophobicContact CG-CG 4.03Å; D303-L472 HydrophobicContact CB-CD1 3.69Å; L472-G474 PolarHBondContact O-N 2.93Å
473	I	67.8	Low	64.9	Low	167 Å²	167	94.8 Å²	94.8	86%	0.856	57%	0.565	S	S	*	*			trans	-66.4	117	167.2	-59.9	174.9	0	0	0	105.5	R471 V475	R471-I473 PolarHBondContact O-N 2.86Å; I473-V475 PolarHBondContact O-N 2.89Å
474	G	50.4	Low	63.8	Low	56 Å²	56	98.5 Å²	98.5	58%	0.577	59%	0.586	S	S	*	*			trans	-54.6	133.5	-160.9	0	0	0	0	0	114.1	L472 S476	L472-G474 PolarHBondContact O-N 2.93Å; G474-S476 PolarHBondContact O-N 3.13Å
475	V	37.3	Very low	62.8	Low	149 Å²	149	97.1 Å²	97.1	90%	0.903	57%	0.574	S	S	*	*			trans	-65.4	77.8	134.8	-177	0	0	0	0	105.8	I473 G477	I473-V475 PolarHBondContact O-N 2.89Å; V475-G477 PolarHBondContact O-N 3.03Å
476	S	37.3	Very low	61.3	Low	99 Å²	99	99 Å²	99	69%	0.692	59%	0.585	S	S	*	*			trans	-69.5	82.9	153.8	52.4	0	0	0	0	105.3	G474 D478	G474-S476 PolarHBondContact O-N 3.13Å; S476-D478 PolarHBondContact O-N 2.7Å
477	G	36.9	Very low	59.4	Low	58 Å²	58	102.5 Å²	102.5	60%	0.598	60%	0.604	S	S	*	*			trans	-65.1	88.5	158.9	0	0	0	0	0	105.9	V475 T479	V475-G477 PolarHBondContact O-N 3.03Å; G477-T479 PolarHBondContact O-N 3.29Å
478	D	35.1	Very low	57.1	Low	144 Å²	144	108.8 Å²	108.8	77%	0.77	64%	0.641	S	S	*	*			trans	-51.9	103.2	157.9	-91.5	-24.9	0	0	0	106	S476 L480	S476-D478 PolarHBondContact O-N 2.7Å; D478-L480 VanDerWaalsContact C-N 3.26Å; D478-L480 PolarHBondContact O-N 2.81Å
479	T	35.2	Very low	54.5	Low	132 Å²	132	113.3 Å²	113.3	81%	0.81	67%	0.667	S	S	*	*			trans	-50.8	98.5	156.3	39.3	0	0	0	0	106.9	G477 G481	G477-T479 PolarHBondContact O-N 3.29Å; T479-G481 PolarHBondContact O-N 3.49Å
480	L	41.2	Very low	51.4	Low	175 Å²	175	121 Å²	121	92%	0.916	71%	0.713	S	S	*	*			trans	-60.2	93.2	156.2	-84.1	155.6	0	0	0	106.1	D478	D478-L480 VanDerWaalsContact C-N 3.26Å; D478-L480 PolarHBondContact O-N 2.81Å
481	G	31.8	Very low	48.1	Very low	57 Å²	57	128.5 Å²	128.5	59%	0.588	76%	0.755	S	S	*	*			trans	-62	156.4	169.3	0	0	0	0	0	110.6	T479	T479-G481 PolarHBondContact O-N 3.49Å
482	P	43.2	Very low	44.8	Very low	131 Å²	131	126.6 Å²	126.6	85%	0.851	77%	0.771	S	S	*	*			trans	-77.4	135.3	-170.8	31.4	-31.9	0	0	0	111
483	Q	44.4	Very low	41.9	Very low	271 Å²	271	130.8 Å²	130.8	100%	1.266	80%	0.803	S	S	*	*			trans	-123	0	149.7	-79.3	-166.9	4	0	0	108.9

Retrieved 483 of 483 residues in 833.3 ms (Link to these results)

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