A0A2K5TRK6_MACFA Loading...

E3 ubiquitin-protein ligase TRIM11

AlphaFold DB , UniProt , Accession A0A2K5TRK6, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene TRIM11, Length 468 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	59.9	Low	247 Å²	247	100 Å²	100	100%	1.217	59%	0.59	S	S	*	*				0	106.5	0	-62.1	-173	-153	0	0	106.4
2	A	44.7	Very low	61.5	Low	99 Å²	99	102.1 Å²	102.1	82%	0.818	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-75.7	129.6	177.8	0	0	0	0	0	108.3
3	A	42.8	Very low	63.2	Low	92 Å²	92	104.9 Å²	104.9	76%	0.76	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-61.8	132.6	172	0	0	0	0	0	108.5	D5	A3-D5 PolarHBondContact O-N 3.11Å
4	P	52.4	Low	65	Low	94 Å²	94	97.4 Å²	97.4	61%	0.61	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-61.6	135.7	175.7	24.6	-30.9	0	0	0	109.6	L6	P4-L6 PolarHBondContact O-N 3.48Å
5	D	66.3	Low	66.5	Low	102 Å²	102	93.9 Å²	93.9	55%	0.545	53%	0.533	S	S	.	.			trans	-63.7	115	175.6	-177	2.8	0	0	0	108.8	A3 S7 T8 N9	A3-D5 PolarHBondContact O-N 3.11Å; D5-S7 PolarHBondContact O-N 3.23Å; D5-S7 VanDerWaalsContact OD1-CB 3.27Å; D5-S7 WeakPolarHBondContact OD1-CB 3.11Å; D5-S7 PolarHBondContact OD1-N 2.88Å; D5-S7 VanDerWaalsContact OD1-N 3.14Å; D5-T8 PolarHBondContact O-N 3.16Å; D5-N9 PolarHBondContact O-N 2.9Å
6	L	63.3	Low	68	Low	149 Å²	149	88 Å²	88	78%	0.78	50%	0.499	S	S	*	.	H	α-helix	trans	-51.8	-27.2	178.8	-81.2	146.3	0	0	0	112.4	P4 L10	P4-L6 PolarHBondContact O-N 3.48Å; L6-L10 PolarHBondContact O-N 3.46Å
7	S	64.8	Low	69.2	Low	41 Å²	41	85.9 Å²	85.9	29%	0.287	50%	0.495	S	S	.	.	H	α-helix	trans	-68.1	-40.1	178.5	-171.1	0	0	0	0	113.3	D5 Q11 H82	D5-S7 PolarHBondContact O-N 3.23Å; D5-S7 VanDerWaalsContact OD1-CB 3.27Å; D5-S7 WeakPolarHBondContact OD1-CB 3.11Å; D5-S7 PolarHBondContact OD1-N 2.88Å; D5-S7 VanDerWaalsContact OD1-N 3.14Å; S7-Q11 PolarHBondContact O-N 3.45Å; S7-H82 PolarHBondContact OG-CE1 3.23Å; S7-H82 PolarHBondContact OG-NE2 3.44Å
8	T	63.9	Low	70.2	Confident	65 Å²	65	84 Å²	84	40%	0.399	48%	0.483	S	S	.	.	H	α-helix	trans	-75.2	-39.9	-178.5	-37.5	0	0	0	0	111.2	D5 L10 Q11 E12	D5-T8 PolarHBondContact O-N 3.16Å; T8-L10 VanDerWaalsContact C-N 3.29Å; T8-L10 PolarHBondContact O-N 3.47Å; T8-Q11 WeakPolarHBondContact O-CB 3.08Å; T8-Q11 PolarHBondContact O-N 3.14Å; T8-Q11 VanDerWaalsContact O-N 3.14Å; T8-E12 PolarHBondContact O-N 3.28Å; T8-E12 VanDerWaalsContact O-N 3.16Å
9	N	71.8	Confident	71.1	Confident	73 Å²	73	82.6 Å²	82.6	39%	0.39	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-37.3	174.8	-70.5	-8.6	0	0	0	111.8	D5 Q11 E12 E13	D5-N9 PolarHBondContact O-N 2.9Å; N9-Q11 VanDerWaalsContact C-N 3.3Å; N9-Q11 PolarHBondContact O-N 2.95Å; N9-E12 PolarHBondContact O-N 2.95Å; N9-E13 WeakPolarHBondContact O-CB 3.15Å; N9-E13 WeakPolarHBondContact O-CG 3.47Å; N9-E13 PolarHBondContact O-N 3.02Å; N9-E13 VanDerWaalsContact O-N 3.14Å
10	L	76.4	Confident	71.7	Confident	62 Å²	62	85.5 Å²	85.5	33%	0.325	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-31.7	176.8	-174.9	65.7	0	0	0	112.5	L6 T8 A14 M74 L81	L6-L10 PolarHBondContact O-N 3.46Å; T8-L10 VanDerWaalsContact C-N 3.29Å; T8-L10 PolarHBondContact O-N 3.47Å; L10-A14 WeakPolarHBondContact O-CB 3.47Å; L10-A14 PolarHBondContact O-N 2.89Å; L10-M74 HydrophobicContact CD1-CE 4.37Å; L10-L81 HydrophobicContact CD2-CD1 3.99Å
11	Q	78.5	Confident	72.4	Confident	76 Å²	76	85 Å²	85	36%	0.355	49%	0.486	S	S	.	.	H	α-helix	trans	-69.8	-47	176.8	176.1	170.3	5.2	0	0	111.2	S7 T8 N9 E13 A14 T15 Y22	S7-Q11 PolarHBondContact O-N 3.45Å; T8-Q11 WeakPolarHBondContact O-CB 3.08Å; T8-Q11 PolarHBondContact O-N 3.14Å; T8-Q11 VanDerWaalsContact O-N 3.14Å; N9-Q11 VanDerWaalsContact C-N 3.3Å; N9-Q11 PolarHBondContact O-N 2.95Å; Q11-E13 PolarHBondContact O-N 3.46Å; Q11-A14 PolarHBondContact O-N 3.03Å; Q11-T15 WeakPolarHBondContact O-CG2 3.46Å; Q11-T15 PolarHBondContact O-N 3.44Å; Q11-Y22 HydrophobicContact CG-CE1 4.03Å; Q11-Y22 WeakPolarHBondContact CG-OH 3.43Å
12	E	78.6	Confident	74.9	Confident	125 Å²	125	73.6 Å²	73.6	58%	0.584	43%	0.43	S	S	*	.	H	α-helix	trans	-59.9	-47.1	178.2	-68.7	178.6	177.6	0	0	111.2	T8 N9 A14 T15	T8-E12 PolarHBondContact O-N 3.28Å; T8-E12 VanDerWaalsContact O-N 3.16Å; N9-E12 PolarHBondContact O-N 2.95Å; E12-A14 PolarHBondContact O-N 3.31Å; E12-T15 PolarHBondContact O-N 2.95Å; E12-T15 VanDerWaalsContact O-N 3.15Å; E12-T15 PolarHBondContact O-OG1 2.61Å
13	E	84.4	Confident	77.1	Confident	139 Å²	139	69.6 Å²	69.6	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-67	-16.8	179	-65.9	-66.2	159.9	0	0	114	N9 Q11	N9-E13 WeakPolarHBondContact O-CB 3.15Å; N9-E13 WeakPolarHBondContact O-CG 3.47Å; N9-E13 PolarHBondContact O-N 3.02Å; N9-E13 VanDerWaalsContact O-N 3.14Å; Q11-E13 PolarHBondContact O-N 3.46Å
14	A	88	Confident	79.3	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	2.4	178.8	0	0	0	0	0	113.7	L10 Q11 E12 Y22 F23 A75 A78	L10-A14 WeakPolarHBondContact O-CB 3.47Å; L10-A14 PolarHBondContact O-N 2.89Å; Q11-A14 PolarHBondContact O-N 3.03Å; E12-A14 PolarHBondContact O-N 3.31Å; A14-Y22 HydrophobicContact CB-CD1 3.92Å; A14-Y22 HydrophobicContact CB-CE1 4.18Å; A14-Y22 WeakPolarHBondContact O-CA 3.32Å; A14-F23 VanDerWaalsContact C-CD2 3.48Å; A14-F23 WeakPolarHBondContact O-CD2 3.38Å; A14-F23 PolarHBondContact O-N 3.18Å; A14-A75 HydrophobicContact CB-CB 4.47Å; A14-A78 HydrophobicContact CB-CB 3.65Å
15	T	88.1	Confident	81.1	Confident	44 Å²	44	68.8 Å²	68.8	27%	0.27	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-102.3	141.3	-178	54.1	0	0	0	0	112.7	Q11 E12 Y22 F23	Q11-T15 WeakPolarHBondContact O-CG2 3.46Å; Q11-T15 PolarHBondContact O-N 3.44Å; E12-T15 PolarHBondContact O-N 2.95Å; E12-T15 VanDerWaalsContact O-N 3.15Å; E12-T15 PolarHBondContact O-OG1 2.61Å; T15-Y22 HydrophobicContact CG2-CD1 4.2Å; T15-Y22 HydrophobicContact CG2-CE1 4.36Å; T15-F23 VanDerWaalsContact O-CE2 3.27Å; T15-F23 WeakPolarHBondContact O-CE2 3.48Å; T15-F23 WeakPolarHBondContact O-CZ 3.42Å
16	C	90.5	Very high	82.4	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.349	C	S	.	.			trans	-81.5	126.9	175.7	179.2	0	0	0	0	110.6	I18 L20 D21 F23 C36	C16-I18 PolarHBondContact O-N 3.19Å; C16-L20 VanDerWaalsContact O-CA 3.23Å; C16-L20 WeakPolarHBondContact O-CA 3.26Å; C16-L20 PolarHBondContact O-N 3.45Å; C16-D21 PolarHBondContact N-O 3.07Å; C16-F23 VanDerWaalsContact CA-CE1 3.44Å; C16-F23 HydrophobicContact CB-CD1 3.64Å; C16-F23 HydrophobicContact CB-CE1 3.5Å; C16-F23 VanDerWaalsContact CB-CE1 3.5Å; C16-F23 HydrophobicContact CB-CG 4.45Å; C16-F23 HydrophobicContact CB-CZ 4.22Å; C16-C36 VanDerWaalsContact CB-SG 3.59Å; C16-C36 PolarHBondContact SG-N 3.48Å; C16-C36 VanDerWaalsContact SG-N 3.35Å
17	A	87.6	Confident	83.9	Confident	52 Å²	52	56.9 Å²	56.9	43%	0.43	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.8	179.5	0	0	0	0	0	115.1	F35 E55	A17-F35 HydrophobicContact CB-CE1 4.33Å; A17-E55 HydrophobicContact CB-CG 4.2Å; A17-E55 WeakPolarHBondContact CB-OE1 3.4Å
18	I	87.1	Confident	85.2	Confident	52 Å²	52	58 Å²	58	27%	0.267	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-55.3	179.3	-58.8	166.1	0	0	0	111.6	C16 F35 C39 I40 P54	C16-I18 PolarHBondContact O-N 3.19Å; I18-F35 HydrophobicContact CD1-CB 4.05Å; I18-F35 HydrophobicContact CD1-CD1 3.42Å; I18-F35 VanDerWaalsContact CD1-CD1 3.42Å; I18-F35 HydrophobicContact CD1-CE1 4.11Å; I18-F35 HydrophobicContact CD1-CG 3.85Å; I18-F35 HydrophobicContact CG1-CD1 3.7Å; I18-F35 HydrophobicContact CG1-CE1 4.13Å; I18-C39 HydrophobicContact CB-CB 3.81Å; I18-C39 HydrophobicContact CD1-CB 3.74Å; I18-C39 HydrophobicContact CG1-CB 4.39Å; I18-C39 HydrophobicContact CG2-CB 3.75Å; I18-I40 HydrophobicContact CD1-CB 4.4Å; I18-I40 HydrophobicContact CD1-CD1 4.39Å; I18-P54 HydrophobicContact CD1-CG 4.16Å
19	C	87.4	Confident	86.5	Confident	57 Å²	57	55.3 Å²	55.3	39%	0.385	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.9	-179.2	65	0	0	0	0	113.6	D21	C19-D21 PolarHBondContact O-N 3.01Å
20	L	84.3	Confident	87.2	Confident	141 Å²	141	55.7 Å²	55.7	74%	0.738	30%	0.299	S	S	*	.	S	Bend	trans	55.7	28.9	-177.7	-51.8	177.7	0	0	0	113	C16	C16-L20 VanDerWaalsContact O-CA 3.23Å; C16-L20 WeakPolarHBondContact O-CA 3.26Å; C16-L20 PolarHBondContact O-N 3.45Å
21	D	84.5	Confident	87.8	Confident	74 Å²	74	54.3 Å²	54.3	40%	0.396	29%	0.294	S	S	.	.	S	Bend	trans	-129.3	165.3	179	-165.7	3.1	0	0	0	109	C16 C19	C16-D21 PolarHBondContact N-O 3.07Å; C19-D21 PolarHBondContact O-N 3.01Å
22	Y	87.9	Confident	88.3	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.035	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-55.1	140.4	179.4	-68.2	-66.6	0	0	0	111.9	Q11 A14 T15 T24 A78 R79 H82	Q11-Y22 HydrophobicContact CG-CE1 4.03Å; Q11-Y22 WeakPolarHBondContact CG-OH 3.43Å; A14-Y22 HydrophobicContact CB-CD1 3.92Å; A14-Y22 HydrophobicContact CB-CE1 4.18Å; A14-Y22 WeakPolarHBondContact O-CA 3.32Å; T15-Y22 HydrophobicContact CG2-CD1 4.2Å; T15-Y22 HydrophobicContact CG2-CE1 4.36Å; Y22-T24 PolarHBondContact O-N 3.21Å; Y22-A78 HydrophobicContact CD1-CB 4.01Å; Y22-A78 HydrophobicContact CE1-CB 3.59Å; Y22-R79 HydrophobicContact CD1-CG 4.37Å; Y22-R79 HydrophobicContact CD2-CB 4.4Å; Y22-R79 HydrophobicContact CD2-CG 3.36Å; Y22-R79 HydrophobicContact CE2-CG 4.04Å; Y22-R79 HydrophobicContact CG-CG 3.54Å; Y22-R79 PolarHBondContact O-NH2 3Å; Y22-H82 WeakPolarHBondContact CE2-O 3.47Å; Y22-H82 VanDerWaalsContact OH-CB 3.22Å; Y22-H82 WeakPolarHBondContact OH-CB 3.35Å; Y22-H82 PolarHBondContact OH-O 3.44Å
23	F	90.6	Very high	88.9	Confident	14 Å²	14	49 Å²	49	6%	0.061	28%	0.278	C	S	.	.			trans	-53.7	127.4	-178.2	-74.3	-69.7	0	0	0	113.1	A14 T15 C16 P26 N34 L71 A75 R79	A14-F23 VanDerWaalsContact C-CD2 3.48Å; A14-F23 WeakPolarHBondContact O-CD2 3.38Å; A14-F23 PolarHBondContact O-N 3.18Å; T15-F23 VanDerWaalsContact O-CE2 3.27Å; T15-F23 WeakPolarHBondContact O-CE2 3.48Å; T15-F23 WeakPolarHBondContact O-CZ 3.42Å; C16-F23 VanDerWaalsContact CA-CE1 3.44Å; C16-F23 HydrophobicContact CB-CD1 3.64Å; C16-F23 HydrophobicContact CB-CE1 3.5Å; C16-F23 VanDerWaalsContact CB-CE1 3.5Å; C16-F23 HydrophobicContact CB-CG 4.45Å; C16-F23 HydrophobicContact CB-CZ 4.22Å; F23-P26 HydrophobicContact CB-CB 3.78Å; F23-P26 HydrophobicContact CB-CG 3.9Å; F23-P26 HydrophobicContact CD1-CB 3.89Å; F23-P26 HydrophobicContact CG-CB 3.89Å; F23-P26 HydrophobicContact CG-CG 4.48Å; F23-N34 HydrophobicContact CE1-CB 4.16Å; F23-N34 WeakPolarHBondContact CE1-O 3.39Å; F23-N34 HydrophobicContact CZ-CB 4Å; F23-N34 WeakPolarHBondContact CZ-O 3.2Å; F23-L71 HydrophobicContact CD2-CD1 3.94Å; F23-L71 HydrophobicContact CD2-CD2 3.75Å; F23-L71 HydrophobicContact CD2-CG 3.77Å; F23-L71 HydrophobicContact CE2-CD1 4.1Å; F23-L71 HydrophobicContact CE2-CD2 3.71Å; F23-L71 HydrophobicContact CE2-CG 4.13Å; F23-L71 HydrophobicContact CG-CD2 4.22Å; F23-L71 HydrophobicContact CG-CG 4.33Å; F23-L71 HydrophobicContact CZ-CD2 4.13Å; F23-A75 HydrophobicContact CB-CB 3.86Å; F23-R79 VanDerWaalsContact C-NH2 3.27Å; F23-R79 PolarHBondContact O-NH2 3.36Å
24	T	88.1	Confident	89.3	Confident	81 Å²	81	44 Å²	44	50%	0.497	26%	0.255	S	S	.	.	S	Bend	trans	-115.9	117.6	170	-51.7	0	0	0	0	107.9	Y22 C36 R79	Y22-T24 PolarHBondContact O-N 3.21Å; T24-C36 PolarHBondContact N-SG 3.27Å; T24-C36 WeakPolarHBondContact O-CA 3.47Å; T24-C36 WeakPolarHBondContact O-CB 3.5Å; T24-R79 PolarHBondContact OG1-NH2 2.92Å
25	D	92	Very high	89.6	Confident	88 Å²	88	44 Å²	44	47%	0.471	26%	0.255	S	S	.	.	S	Bend	trans	48.9	61.3	-170.4	-168.4	27.5	0	0	0	112	V27 R37	D25-V27 PolarHBondContact O-N 3.18Å; D25-R37 HydrophobicContact CB-CB 4.34Å; D25-R37 WeakPolarHBondContact O-CB 3.33Å; D25-R37 PolarHBondContact O-N 3.08Å; D25-R37 WeakPolarHBondContact OD2-CD 3.44Å
26	P	93.8	Very high	89.9	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.2	-178.7	20	-27.5	0	0	0	111.4	F23 F35 N68 L71 A72	F23-P26 HydrophobicContact CB-CB 3.78Å; F23-P26 HydrophobicContact CB-CG 3.9Å; F23-P26 HydrophobicContact CD1-CB 3.89Å; F23-P26 HydrophobicContact CG-CB 3.89Å; F23-P26 HydrophobicContact CG-CG 4.48Å; P26-F35 CarbonylContact C-O 3.53Å; P26-F35 WeakPolarHBondContact CA-O 3.2Å; P26-N68 HydrophobicContact CB-CB 4.44Å; P26-N68 WeakPolarHBondContact CG-O 3.42Å; P26-N68 PolarHBondContact O-N 3.37Å; P26-L71 HydrophobicContact CB-CB 4.39Å; P26-L71 HydrophobicContact CB-CD2 3.89Å; P26-L71 HydrophobicContact CB-CG 4.15Å; P26-L71 HydrophobicContact CG-CB 4.17Å; P26-L71 HydrophobicContact CG-CD2 4.5Å; P26-L71 HydrophobicContact CG-CG 4.23Å; P26-A72 HydrophobicContact CG-CB 3.72Å
27	V	93.3	Very high	90	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.2	173.3	-68.6	0	0	0	0	110.1	D25 N34 F35 R37 I40 L65 R66	D25-V27 PolarHBondContact O-N 3.18Å; V27-N34 WeakPolarHBondContact O-CA 3.42Å; V27-F35 WeakPolarHBondContact CG2-O 3.27Å; V27-F35 PolarHBondContact N-O 3.43Å; V27-F35 PolarHBondContact O-N 2.95Å; V27-R37 HydrophobicContact CG1-CB 3.9Å; V27-R37 HydrophobicContact CG1-CG 3.83Å; V27-R37 HydrophobicContact CG2-CB 4.12Å; V27-R37 HydrophobicContact CG2-CG 4.32Å; V27-I40 HydrophobicContact CG2-CG2 3.72Å; V27-L65 HydrophobicContact CB-CB 3.95Å; V27-L65 HydrophobicContact CB-CD2 4.27Å; V27-L65 HydrophobicContact CG1-CB 4.21Å; V27-L65 HydrophobicContact CG2-CB 4.15Å; V27-L65 HydrophobicContact CG2-CD1 4.17Å; V27-L65 HydrophobicContact CG2-CD2 3.8Å; V27-L65 HydrophobicContact CG2-CG 4.25Å; V27-R66 CarbonylContact C-O 3.57Å; V27-R66 VanDerWaalsContact CA-O 3.3Å; V27-R66 WeakPolarHBondContact CA-O 3.23Å
28	M	93.1	Very high	90.1	Very high	65 Å²	65	49.6 Å²	49.6	32%	0.32	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.7	176.7	-168.9	-177.2	-74.7	0	0	109.5	G32 H33 N34 R66	M28-G32 WeakPolarHBondContact CG-O 3.48Å; M28-H33 WeakPolarHBondContact CA-O 3.38Å; M28-N34 WeakPolarHBondContact CB-OD1 3.21Å; M28-R66 PolarHBondContact N-O 3.3Å; M28-R66 PolarHBondContact O-N 3.14Å
29	T	89.9	Confident	90.3	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.049	26%	0.262	C	S	.	.			trans	-78.5	166.1	169	57.7	0	0	0	0	110.8	C31 G32 H33 F35 I40 W44 L65	T29-C31 PolarHBondContact O-N 3.22Å; T29-C31 PolarHBondContact OG1-SG 3.12Å; T29-G32 PolarHBondContact O-N 3.34Å; T29-H33 PolarHBondContact N-O 3.41Å; T29-H33 PolarHBondContact OG1-N 3.39Å; T29-H33 PolarHBondContact OG1-O 3.07Å; T29-F35 HydrophobicContact CG2-CD2 3.85Å; T29-F35 HydrophobicContact CG2-CE2 3.86Å; T29-I40 HydrophobicContact CG2-CD1 4.48Å; T29-I40 HydrophobicContact CG2-CG1 4.35Å; T29-W44 HydrophobicContact CG2-CH2 4.03Å; T29-W44 HydrophobicContact CG2-CZ2 3.88Å; T29-L65 HydrophobicContact CG2-CD2 4.13Å
30	D	87.1	Confident	90.4	Very high	80 Å²	80	45.6 Å²	45.6	43%	0.428	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.3	-179.3	-66.1	-42.8	0	0	0	113.4	G32 S60	D30-G32 PolarHBondContact O-N 3.31Å; D30-S60 PolarHBondContact OD2-OG 2.85Å
31	C	89.6	Confident	90.6	Very high	33 Å²	33	43.6 Å²	43.6	22%	0.223	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.2	174.3	69.4	0	0	0	0	114.4	T29 H33 C53 C56 E58	T29-C31 PolarHBondContact O-N 3.22Å; T29-C31 PolarHBondContact OG1-SG 3.12Å; C31-H33 PolarHBondContact SG-ND1 3.47Å; C31-C53 VanDerWaalsContact SG-CB 3.55Å; C31-C53 PolarHBondContact SG-SG 2.94Å; C31-C56 PolarHBondContact SG-SG 3.03Å; C31-E58 HydrophobicContact CB-CB 4.14Å; C31-E58 HydrophobicContact CB-CG 4.39Å; C31-E58 WeakPolarHBondContact CB-OE2 3.36Å
32	G	87.7	Confident	90.7	Very high	33 Å²	33	50.3 Å²	50.3	34%	0.34	25%	0.246	S	C	.	.	S	Bend	trans	91.2	-9.6	175.5	0	0	0	0	0	116.2	M28 T29 D30 N34	M28-G32 WeakPolarHBondContact CG-O 3.48Å; T29-G32 PolarHBondContact O-N 3.34Å; D30-G32 PolarHBondContact O-N 3.31Å; G32-N34 PolarHBondContact O-ND2 2.96Å
33	H	92.3	Very high	90.6	Very high	58 Å²	58	53.2 Å²	53.2	27%	0.269	27%	0.267	S	S	.	.			trans	-74.2	146.3	176.8	-63.4	97.5	0	0	0	111.9	M28 T29 C31 F35 E55 C56	M28-H33 WeakPolarHBondContact CA-O 3.38Å; T29-H33 PolarHBondContact N-O 3.41Å; T29-H33 PolarHBondContact OG1-N 3.39Å; T29-H33 PolarHBondContact OG1-O 3.07Å; C31-H33 PolarHBondContact SG-ND1 3.47Å; H33-F35 HydrophobicContact CB-CE2 3.82Å; H33-F35 HydrophobicContact CB-CZ 3.98Å; H33-E55 IonicContact CD2-OE2 3Å; H33-E55 PolarHBondContact CD2-OE2 3.49Å; H33-E55 IonicContact CG-OE2 3.8Å; H33-E55 IonicContact NE2-OE2 3.82Å; H33-C56 VanDerWaalsContact CE1-SG 3.54Å; H33-C56 PolarHBondContact ND1-SG 3.02Å
34	N	93.3	Very high	90.4	Very high	32 Å²	32	54.1 Å²	54.1	17%	0.171	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.7	-171.2	-62.2	-88.2	0	0	0	111.8	F23 V27 M28 G32 N68 L71	F23-N34 HydrophobicContact CE1-CB 4.16Å; F23-N34 WeakPolarHBondContact CE1-O 3.39Å; F23-N34 HydrophobicContact CZ-CB 4Å; F23-N34 WeakPolarHBondContact CZ-O 3.2Å; V27-N34 WeakPolarHBondContact O-CA 3.42Å; M28-N34 WeakPolarHBondContact CB-OD1 3.21Å; G32-N34 PolarHBondContact O-ND2 2.96Å; N34-N68 PolarHBondContact OD1-ND2 3.29Å; N34-L71 HydrophobicContact CB-CD2 3.4Å; N34-L71 VanDerWaalsContact CB-CD2 3.4Å
35	F	93.7	Very high	89.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.9	179.9	-57.8	-74.3	0	0	0	110.6	A17 I18 P26 V27 T29 H33 R37 I40 P54 E55	A17-F35 HydrophobicContact CB-CE1 4.33Å; I18-F35 HydrophobicContact CD1-CB 4.05Å; I18-F35 HydrophobicContact CD1-CD1 3.42Å; I18-F35 VanDerWaalsContact CD1-CD1 3.42Å; I18-F35 HydrophobicContact CD1-CE1 4.11Å; I18-F35 HydrophobicContact CD1-CG 3.85Å; I18-F35 HydrophobicContact CG1-CD1 3.7Å; I18-F35 HydrophobicContact CG1-CE1 4.13Å; P26-F35 CarbonylContact C-O 3.53Å; P26-F35 WeakPolarHBondContact CA-O 3.2Å; V27-F35 WeakPolarHBondContact CG2-O 3.27Å; V27-F35 PolarHBondContact N-O 3.43Å; V27-F35 PolarHBondContact O-N 2.95Å; T29-F35 HydrophobicContact CG2-CD2 3.85Å; T29-F35 HydrophobicContact CG2-CE2 3.86Å; H33-F35 HydrophobicContact CB-CE2 3.82Å; H33-F35 HydrophobicContact CB-CZ 3.98Å; F35-R37 PolarHBondContact O-N 2.83Å; F35-I40 HydrophobicContact CB-CB 3.74Å; F35-I40 HydrophobicContact CB-CG1 4.44Å; F35-I40 HydrophobicContact CB-CG2 4.24Å; F35-I40 HydrophobicContact CD2-CB 4.3Å; F35-I40 HydrophobicContact CD2-CD1 3.76Å; F35-I40 HydrophobicContact CD2-CG1 4.07Å; F35-I40 HydrophobicContact CE2-CD1 4.13Å; F35-I40 HydrophobicContact CG-CB 4.19Å; F35-I40 HydrophobicContact CG-CD1 4.15Å; F35-I40 HydrophobicContact CG-CG1 4.43Å; F35-P54 HydrophobicContact CE1-CB 4.08Å; F35-P54 HydrophobicContact CE1-CG 4.17Å; F35-P54 HydrophobicContact CE2-CG 4.46Å; F35-P54 HydrophobicContact CZ-CB 4.08Å; F35-P54 HydrophobicContact CZ-CG 4.04Å; F35-E55 HydrophobicContact CE1-CG 3.98Å; F35-E55 VanDerWaalsContact CE1-OE1 3.26Å; F35-E55 WeakPolarHBondContact CE1-OE1 3.39Å; F35-E55 HydrophobicContact CZ-CB 4.33Å; F35-E55 HydrophobicContact CZ-CG 3.84Å
36	C	93.9	Very high	88.8	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.8	163.7	-61	0	0	0	0	109	C16 T24 E38 C39 I40	C16-C36 VanDerWaalsContact CB-SG 3.59Å; C16-C36 PolarHBondContact SG-N 3.48Å; C16-C36 VanDerWaalsContact SG-N 3.35Å; T24-C36 PolarHBondContact N-SG 3.27Å; T24-C36 WeakPolarHBondContact O-CA 3.47Å; T24-C36 WeakPolarHBondContact O-CB 3.5Å; C36-E38 PolarHBondContact O-N 3.19Å; C36-E38 VanDerWaalsContact O-N 3.14Å; C36-C39 HydrophobicContact CB-CB 3.93Å; C36-C39 WeakPolarHBondContact O-CB 3.39Å; C36-C39 PolarHBondContact O-N 2.71Å; C36-I40 PolarHBondContact O-N 3.35Å; C36-I40 VanDerWaalsContact O-N 3.08Å
37	R	92.3	Very high	87.4	Confident	81 Å²	81	59.2 Å²	59.2	31%	0.306	30%	0.304	S	S	.	.	H	α-helix	trans	-53.5	-39.9	-175.6	-165.6	167.9	-149.6	-159	10.2	113.9	D25 V27 F35 I40 R41	D25-R37 HydrophobicContact CB-CB 4.34Å; D25-R37 WeakPolarHBondContact O-CB 3.33Å; D25-R37 PolarHBondContact O-N 3.08Å; D25-R37 WeakPolarHBondContact OD2-CD 3.44Å; V27-R37 HydrophobicContact CG1-CB 3.9Å; V27-R37 HydrophobicContact CG1-CG 3.83Å; V27-R37 HydrophobicContact CG2-CB 4.12Å; V27-R37 HydrophobicContact CG2-CG 4.32Å; F35-R37 PolarHBondContact O-N 2.83Å; R37-I40 WeakPolarHBondContact O-CG2 3.46Å; R37-R41 WeakPolarHBondContact O-CB 3.2Å; R37-R41 WeakPolarHBondContact O-CD 3.27Å; R37-R41 VanDerWaalsContact O-CG 3.23Å; R37-R41 WeakPolarHBondContact O-CG 3.19Å; R37-R41 PolarHBondContact O-N 2.83Å
38	E	90.8	Very high	86.1	Confident	128 Å²	128	67.6 Å²	67.6	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-73.3	-36.5	178.2	-166.3	55	-151.1	0	0	112.5	C36 R41 R42	C36-E38 PolarHBondContact O-N 3.19Å; C36-E38 VanDerWaalsContact O-N 3.14Å; E38-R41 PolarHBondContact O-N 2.75Å; E38-R42 WeakPolarHBondContact O-CB 3.49Å; E38-R42 PolarHBondContact O-N 3.15Å
39	C	90.7	Very high	85	Confident	25 Å²	25	66.4 Å²	66.4	17%	0.169	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-47.9	179.8	-70.6	0	0	0	0	111.8	I18 C36 R42 C43	I18-C39 HydrophobicContact CB-CB 3.81Å; I18-C39 HydrophobicContact CD1-CB 3.74Å; I18-C39 HydrophobicContact CG1-CB 4.39Å; I18-C39 HydrophobicContact CG2-CB 3.75Å; C36-C39 HydrophobicContact CB-CB 3.93Å; C36-C39 WeakPolarHBondContact O-CB 3.39Å; C36-C39 PolarHBondContact O-N 2.71Å; C39-R42 PolarHBondContact O-N 3.3Å; C39-C43 PolarHBondContact O-N 3.49Å
40	I	89.4	Confident	84.1	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-69	-35.1	179.2	-168.8	60.9	0	0	0	112.1	I18 V27 T29 F35 C36 R37 R42 C43 W44 P54 L65	I18-I40 HydrophobicContact CD1-CB 4.4Å; I18-I40 HydrophobicContact CD1-CD1 4.39Å; V27-I40 HydrophobicContact CG2-CG2 3.72Å; T29-I40 HydrophobicContact CG2-CD1 4.48Å; T29-I40 HydrophobicContact CG2-CG1 4.35Å; F35-I40 HydrophobicContact CB-CB 3.74Å; F35-I40 HydrophobicContact CB-CG1 4.44Å; F35-I40 HydrophobicContact CB-CG2 4.24Å; F35-I40 HydrophobicContact CD2-CB 4.3Å; F35-I40 HydrophobicContact CD2-CD1 3.76Å; F35-I40 HydrophobicContact CD2-CG1 4.07Å; F35-I40 HydrophobicContact CE2-CD1 4.13Å; F35-I40 HydrophobicContact CG-CB 4.19Å; F35-I40 HydrophobicContact CG-CD1 4.15Å; F35-I40 HydrophobicContact CG-CG1 4.43Å; C36-I40 PolarHBondContact O-N 3.35Å; C36-I40 VanDerWaalsContact O-N 3.08Å; R37-I40 WeakPolarHBondContact O-CG2 3.46Å; I40-R42 VanDerWaalsContact C-N 3.34Å; I40-R42 PolarHBondContact O-N 3.49Å; I40-C43 PolarHBondContact O-N 3.18Å; I40-W44 HydrophobicContact CD1-CD2 4.17Å; I40-W44 HydrophobicContact CD1-CZ2 3.88Å; I40-W44 HydrophobicContact CG1-CD2 3.88Å; I40-W44 HydrophobicContact CG1-CE3 4.03Å; I40-W44 HydrophobicContact CG1-CH2 3.93Å; I40-W44 HydrophobicContact CG1-CZ2 3.7Å; I40-W44 HydrophobicContact CG1-CZ3 4.07Å; I40-W44 PolarHBondContact O-N 3.06Å; I40-P54 VanDerWaalsContact CD1-CD 3.46Å; I40-P54 HydrophobicContact CD1-CG 3.61Å; I40-L65 HydrophobicContact CG1-CD2 4.29Å; I40-L65 HydrophobicContact CG2-CD1 3.66Å; I40-L65 HydrophobicContact CG2-CD2 3.91Å; I40-L65 HydrophobicContact CG2-CG 4.45Å
41	R	88	Confident	83.9	Confident	99 Å²	99	67.7 Å²	67.7	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-43.9	172.6	-80.6	175.7	178.6	168.3	-2.4	111.7	R37 E38 W44 G45 R63 L65	R37-R41 WeakPolarHBondContact O-CB 3.2Å; R37-R41 WeakPolarHBondContact O-CD 3.27Å; R37-R41 VanDerWaalsContact O-CG 3.23Å; R37-R41 WeakPolarHBondContact O-CG 3.19Å; R37-R41 PolarHBondContact O-N 2.83Å; E38-R41 PolarHBondContact O-N 2.75Å; R41-W44 PolarHBondContact O-N 2.93Å; R41-G45 PolarHBondContact O-N 3.03Å; R41-R63 PolarHBondContact O-NH2 2.99Å; R41-L65 HydrophobicContact CG-CD1 4.44Å
42	R	87.4	Confident	83.8	Confident	215 Å²	215	68 Å²	68	81%	0.811	36%	0.363	S	S	*	.	H	α-helix	trans	-65.6	-40.2	177	-169.5	176.3	-180	-177.6	-0.1	112.2	E38 C39 I40 G45	E38-R42 WeakPolarHBondContact O-CB 3.49Å; E38-R42 PolarHBondContact O-N 3.15Å; C39-R42 PolarHBondContact O-N 3.3Å; I40-R42 VanDerWaalsContact C-N 3.34Å; I40-R42 PolarHBondContact O-N 3.49Å; R42-G45 PolarHBondContact O-N 3.16Å
43	C	85.1	Confident	83.8	Confident	70 Å²	70	66.6 Å²	66.6	47%	0.473	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-41.4	175.5	-78.3	0	0	0	0	112.9	C39 I40 G45 P54	C39-C43 PolarHBondContact O-N 3.49Å; I40-C43 PolarHBondContact O-N 3.18Å; C43-G45 VanDerWaalsContact C-N 3.3Å; C43-P54 HydrophobicContact CB-CG 4.38Å
44	W	86.8	Confident	83.6	Confident	33 Å²	33	66.7 Å²	66.7	13%	0.125	35%	0.354	C	S	.	.	H	α-helix	trans	-73.6	-23.1	175.7	-70.3	-21.7	0	0	0	113.3	T29 I40 R41 Q46 Y51 A52 R63 L65	T29-W44 HydrophobicContact CG2-CH2 4.03Å; T29-W44 HydrophobicContact CG2-CZ2 3.88Å; I40-W44 HydrophobicContact CD1-CD2 4.17Å; I40-W44 HydrophobicContact CD1-CZ2 3.88Å; I40-W44 HydrophobicContact CG1-CD2 3.88Å; I40-W44 HydrophobicContact CG1-CE3 4.03Å; I40-W44 HydrophobicContact CG1-CH2 3.93Å; I40-W44 HydrophobicContact CG1-CZ2 3.7Å; I40-W44 HydrophobicContact CG1-CZ3 4.07Å; I40-W44 PolarHBondContact O-N 3.06Å; R41-W44 PolarHBondContact O-N 2.93Å; W44-Q46 PolarHBondContact O-N 2.92Å; W44-Q46 VanDerWaalsContact O-N 3.14Å; W44-Y51 HydrophobicContact CB-CD1 3.92Å; W44-Y51 HydrophobicContact CB-CE1 4.47Å; W44-Y51 AromaticContact CD2-CD1 3.86Å; W44-Y51 HydrophobicContact CD2-CD1 3.86Å; W44-Y51 HydrophobicContact CD2-CG 4.17Å; W44-Y51 HydrophobicContact CE3-CD1 4.16Å; W44-Y51 HydrophobicContact CE3-CG 4.42Å; W44-Y51 AromaticContact CG-CD1 3.75Å; W44-Y51 HydrophobicContact CG-CD1 3.75Å; W44-Y51 HydrophobicContact CG-CG 4.42Å; W44-A52 PolarHBondContact NE1-O 3.14Å; W44-R63 HydrophobicContact CE3-CG 4.39Å; W44-R63 HydrophobicContact CZ3-CB 4.21Å; W44-L65 HydrophobicContact CE3-CD1 4.44Å; W44-L65 HydrophobicContact CH2-CD2 3.44Å; W44-L65 VanDerWaalsContact CH2-CD2 3.44Å; W44-L65 HydrophobicContact CH2-CG 4.02Å; W44-L65 HydrophobicContact CZ3-CD1 3.76Å; W44-L65 HydrophobicContact CZ3-CD2 3.55Å; W44-L65 HydrophobicContact CZ3-CG 3.63Å
45	G	77.9	Confident	83.4	Confident	44 Å²	44	69.4 Å²	69.4	45%	0.454	37%	0.365	S	S	.	.			trans	59.7	-115.9	177	0	0	0	0	0	112.3	R41 R42 C43 R63	R41-G45 PolarHBondContact O-N 3.03Å; R42-G45 PolarHBondContact O-N 3.16Å; C43-G45 VanDerWaalsContact C-N 3.3Å; G45-R63 PolarHBondContact O-NH2 3.45Å; G45-R63 VanDerWaalsContact O-NH2 3.12Å
46	Q	69.6	Low	83.1	Confident	154 Å²	154	72.1 Å²	72.1	72%	0.72	38%	0.383	S	S	*	.	S	Bend	trans	-55.4	149.9	-174.3	-67.9	-68.6	-13.4	0	0	112.6	W44 E48	W44-Q46 PolarHBondContact O-N 2.92Å; W44-Q46 VanDerWaalsContact O-N 3.14Å; Q46-E48 PolarHBondContact O-N 2.92Å
47	P	63.3	Low	82.8	Confident	79 Å²	79	81.5 Å²	81.5	51%	0.513	42%	0.418	S	S	.	.	S	Bend	trans	-75.1	-2.8	-171.4	28.4	-32.7	0	0	0	115.4	Y51	P47-Y51 VanDerWaalsContact C-OH 3.25Å; P47-Y51 PolarHBondContact O-OH 3.14Å
48	E	67.3	Low	82.6	Confident	177 Å²	177	83.4 Å²	83.4	83%	0.827	43%	0.43	S	S	*	.	S	Bend	trans	-140	124.3	-176.7	-63.5	179.6	-174	0	0	111	Q46 Y51	Q46-E48 PolarHBondContact O-N 2.92Å; E48-Y51 WeakPolarHBondContact CA-OH 3.5Å
49	G	68.2	Low	82.3	Confident	39 Å²	39	82.5 Å²	82.5	40%	0.402	43%	0.429	S	S	.	.	S	Bend	trans	156.1	166.3	178.8	0	0	0	0	0	111.5	Y51	G49-Y51 WeakPolarHBondContact O-CD2 3.46Å; G49-Y51 WeakPolarHBondContact O-CE1 3.22Å; G49-Y51 WeakPolarHBondContact O-CE2 3.48Å; G49-Y51 PolarHBondContact O-N 2.79Å
50	P	71.4	Confident	81.8	Confident	98 Å²	98	82 Å²	82	64%	0.636	43%	0.426	S	S	*	.			trans	-68.4	121.9	174.9	30	-33.5	0	0	0	109.5	A52 L59	P50-A52 PolarHBondContact O-N 3.44Å; P50-L59 HydrophobicContact CB-CB 4.41Å; P50-L59 HydrophobicContact CB-CD1 4.26Å; P50-L59 HydrophobicContact CB-CD2 4.14Å; P50-L59 HydrophobicContact CB-CG 4.5Å
51	Y	84.2	Confident	81.1	Confident	18 Å²	18	87.6 Å²	87.6	7%	0.071	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	92.7	-172.9	-57.2	-66.7	0	0	0	110.4	W44 P47 E48 G49 S60 Q62 R63	W44-Y51 HydrophobicContact CB-CD1 3.92Å; W44-Y51 HydrophobicContact CB-CE1 4.47Å; W44-Y51 AromaticContact CD2-CD1 3.86Å; W44-Y51 HydrophobicContact CD2-CD1 3.86Å; W44-Y51 HydrophobicContact CD2-CG 4.17Å; W44-Y51 HydrophobicContact CE3-CD1 4.16Å; W44-Y51 HydrophobicContact CE3-CG 4.42Å; W44-Y51 AromaticContact CG-CD1 3.75Å; W44-Y51 HydrophobicContact CG-CD1 3.75Å; W44-Y51 HydrophobicContact CG-CG 4.42Å; P47-Y51 VanDerWaalsContact C-OH 3.25Å; P47-Y51 PolarHBondContact O-OH 3.14Å; E48-Y51 WeakPolarHBondContact CA-OH 3.5Å; G49-Y51 WeakPolarHBondContact O-CD2 3.46Å; G49-Y51 WeakPolarHBondContact O-CE1 3.22Å; G49-Y51 WeakPolarHBondContact O-CE2 3.48Å; G49-Y51 PolarHBondContact O-N 2.79Å; Y51-S60 WeakPolarHBondContact CD2-O 3.45Å; Y51-S60 PolarHBondContact N-O 3.17Å; Y51-S60 PolarHBondContact O-N 3.26Å; Y51-Q62 WeakPolarHBondContact CD2-O 3.25Å; Y51-R63 HydrophobicContact CD1-CG 3.85Å; Y51-R63 HydrophobicContact CD2-CG 3.83Å; Y51-R63 HydrophobicContact CE1-CG 3.35Å; Y51-R63 HydrophobicContact CE2-CB 4.38Å; Y51-R63 HydrophobicContact CE2-CG 3.34Å; Y51-R63 HydrophobicContact CG-CG 4.07Å; Y51-R63 WeakPolarHBondContact OH-CD 3.35Å; Y51-R63 WeakPolarHBondContact OH-CG 3.23Å
52	A	86.6	Confident	80.6	Confident	40 Å²	40	88.3 Å²	88.3	33%	0.331	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.1	176.9	0	0	0	0	0	111.2	W44 P50 P54 E58 L59	W44-A52 PolarHBondContact NE1-O 3.14Å; P50-A52 PolarHBondContact O-N 3.44Å; A52-P54 WeakPolarHBondContact O-CD 3.42Å; A52-E58 WeakPolarHBondContact CA-O 3.43Å; A52-L59 HydrophobicContact CB-CD2 3.65Å
53	C	88.1	Confident	80.3	Confident	3 Å²	3	82 Å²	82	2%	0.02	45%	0.446	C	S	.	.			trans	-64.9	128.1	167.2	178.4	0	0	0	0	110.1	C31 E55 C56 R57 E58	C31-C53 VanDerWaalsContact SG-CB 3.55Å; C31-C53 PolarHBondContact SG-SG 2.94Å; C53-E55 PolarHBondContact O-N 3.27Å; C53-E55 VanDerWaalsContact O-N 3.16Å; C53-E55 PolarHBondContact SG-N 3.38Å; C53-C56 VanDerWaalsContact CB-SG 3.55Å; C53-C56 VanDerWaalsContact SG-SG 3.69Å; C53-R57 WeakPolarHBondContact O-CA 3.48Å; C53-R57 PolarHBondContact O-N 3.14Å; C53-E58 PolarHBondContact N-O 3.35Å
54	P	88.3	Confident	80.1	Confident	59 Å²	59	82 Å²	82	38%	0.383	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.6	177.4	-28.2	36.4	0	0	0	114.9	I18 F35 I40 C43 A52	I18-P54 HydrophobicContact CD1-CG 4.16Å; F35-P54 HydrophobicContact CE1-CB 4.08Å; F35-P54 HydrophobicContact CE1-CG 4.17Å; F35-P54 HydrophobicContact CE2-CG 4.46Å; F35-P54 HydrophobicContact CZ-CB 4.08Å; F35-P54 HydrophobicContact CZ-CG 4.04Å; I40-P54 VanDerWaalsContact CD1-CD 3.46Å; I40-P54 HydrophobicContact CD1-CG 3.61Å; C43-P54 HydrophobicContact CB-CG 4.38Å; A52-P54 WeakPolarHBondContact O-CD 3.42Å
55	E	87.9	Confident	80.2	Confident	90 Å²	90	81.5 Å²	81.5	42%	0.421	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-59.5	-177.6	-73.6	179	-141.7	0	0	112.6	A17 H33 F35 C53	A17-E55 HydrophobicContact CB-CG 4.2Å; A17-E55 WeakPolarHBondContact CB-OE1 3.4Å; H33-E55 IonicContact CD2-OE2 3Å; H33-E55 PolarHBondContact CD2-OE2 3.49Å; H33-E55 IonicContact CG-OE2 3.8Å; H33-E55 IonicContact NE2-OE2 3.82Å; F35-E55 HydrophobicContact CE1-CG 3.98Å; F35-E55 VanDerWaalsContact CE1-OE1 3.26Å; F35-E55 WeakPolarHBondContact CE1-OE1 3.39Å; F35-E55 HydrophobicContact CZ-CB 4.33Å; F35-E55 HydrophobicContact CZ-CG 3.84Å; C53-E55 PolarHBondContact O-N 3.27Å; C53-E55 VanDerWaalsContact O-N 3.16Å; C53-E55 PolarHBondContact SG-N 3.38Å
56	C	88.9	Confident	80.8	Confident	56 Å²	56	87.9 Å²	87.9	38%	0.378	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.3	-176.1	66.3	0	0	0	0	114.8	C31 H33 C53 E58	C31-C56 PolarHBondContact SG-SG 3.03Å; H33-C56 VanDerWaalsContact CE1-SG 3.54Å; H33-C56 PolarHBondContact ND1-SG 3.02Å; C53-C56 VanDerWaalsContact CB-SG 3.55Å; C53-C56 VanDerWaalsContact SG-SG 3.69Å; C56-E58 PolarHBondContact O-N 3.44Å; C56-E58 VanDerWaalsContact O-N 3.11Å; C56-E58 VanDerWaalsContact SG-CB 3.53Å
57	R	87.5	Confident	81.9	Confident	204 Å²	204	84.3 Å²	84.3	77%	0.77	44%	0.441	S	S	*	.			trans	60.3	11.5	-176.3	-54.5	-177.8	179.6	-177.4	-0.3	115.6	C53 L59	C53-R57 WeakPolarHBondContact O-CA 3.48Å; C53-R57 PolarHBondContact O-N 3.14Å; R57-L59 PolarHBondContact O-N 2.83Å
58	E	87.6	Confident	83.2	Confident	121 Å²	121	81.9 Å²	81.9	57%	0.565	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-62.5	133.9	172.7	-168.5	172	174.3	0	0	110.3	C31 A52 C53 C56	C31-E58 HydrophobicContact CB-CB 4.14Å; C31-E58 HydrophobicContact CB-CG 4.39Å; C31-E58 WeakPolarHBondContact CB-OE2 3.36Å; A52-E58 WeakPolarHBondContact CA-O 3.43Å; C53-E58 PolarHBondContact N-O 3.35Å; C56-E58 PolarHBondContact O-N 3.44Å; C56-E58 VanDerWaalsContact O-N 3.11Å; C56-E58 VanDerWaalsContact SG-CB 3.53Å
59	L	84.9	Confident	84.3	Confident	109 Å²	109	83 Å²	83	57%	0.571	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.8	-175.9	-60.5	177.3	0	0	0	109.6	P50 A52 R57	P50-L59 HydrophobicContact CB-CB 4.41Å; P50-L59 HydrophobicContact CB-CD1 4.26Å; P50-L59 HydrophobicContact CB-CD2 4.14Å; P50-L59 HydrophobicContact CB-CG 4.5Å; A52-L59 HydrophobicContact CB-CD2 3.65Å; R57-L59 PolarHBondContact O-N 2.83Å
60	S	80.4	Confident	85.4	Confident	14 Å²	14	85.2 Å²	85.2	10%	0.098	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.3	167.2	178.7	0	0	0	0	110.9	D30 Y51 Q62	D30-S60 PolarHBondContact OD2-OG 2.85Å; Y51-S60 WeakPolarHBondContact CD2-O 3.45Å; Y51-S60 PolarHBondContact N-O 3.17Å; Y51-S60 PolarHBondContact O-N 3.26Å; S60-Q62 VanDerWaalsContact C-N 3.26Å; S60-Q62 PolarHBondContact O-N 3.46Å; S60-Q62 PolarHBondContact OG-N 2.97Å; S60-Q62 PolarHBondContact OG-O 3.18Å
61	P	74	Confident	86.4	Confident	118 Å²	118	81.3 Å²	81.3	77%	0.766	40%	0.402	S	S	*	.	S	Bend	trans	-72.8	-14.9	175.1	29.7	-34.9	0	0	0	113.4
62	Q	77.2	Confident	86.6	Confident	114 Å²	114	82.2 Å²	82.2	53%	0.533	41%	0.413	S	S	.	.	S	Bend	trans	-135.4	155.5	-175.5	-67.2	-178.2	-5.3	0	0	111.5	Y51 S60 N64	Y51-Q62 WeakPolarHBondContact CD2-O 3.25Å; S60-Q62 VanDerWaalsContact C-N 3.26Å; S60-Q62 PolarHBondContact O-N 3.46Å; S60-Q62 PolarHBondContact OG-N 2.97Å; S60-Q62 PolarHBondContact OG-O 3.18Å; Q62-N64 WeakPolarHBondContact CB-ND2 3.37Å; Q62-N64 PolarHBondContact O-N 3.3Å; Q62-N64 PolarHBondContact OE1-ND2 3Å
63	R	80.7	Confident	86.7	Confident	82 Å²	82	87 Å²	87	31%	0.309	43%	0.426	S	S	.	.			trans	-79.9	44.7	175.3	-57.6	-176.1	92.9	-178.2	10.7	112.1	R41 W44 G45 Y51 L65	R41-R63 PolarHBondContact O-NH2 2.99Å; W44-R63 HydrophobicContact CE3-CG 4.39Å; W44-R63 HydrophobicContact CZ3-CB 4.21Å; G45-R63 PolarHBondContact O-NH2 3.45Å; G45-R63 VanDerWaalsContact O-NH2 3.12Å; Y51-R63 HydrophobicContact CD1-CG 3.85Å; Y51-R63 HydrophobicContact CD2-CG 3.83Å; Y51-R63 HydrophobicContact CE1-CG 3.35Å; Y51-R63 HydrophobicContact CE2-CB 4.38Å; Y51-R63 HydrophobicContact CE2-CG 3.34Å; Y51-R63 HydrophobicContact CG-CG 4.07Å; Y51-R63 WeakPolarHBondContact OH-CD 3.35Å; Y51-R63 WeakPolarHBondContact OH-CG 3.23Å; R63-L65 PolarHBondContact O-N 3.48Å
64	N	82.1	Confident	86.7	Confident	69 Å²	69	90.5 Å²	90.5	37%	0.369	44%	0.444	S	S	.	.			trans	-75.7	101.4	-177.4	-70	-24.3	0	0	0	109.6	Q62	Q62-N64 WeakPolarHBondContact CB-ND2 3.37Å; Q62-N64 PolarHBondContact O-N 3.3Å; Q62-N64 PolarHBondContact OE1-ND2 3Å
65	L	88.4	Confident	86.7	Confident	23 Å²	23	87.7 Å²	87.7	12%	0.12	43%	0.425	C	S	.	.			trans	-111.9	107.9	178.1	-69.9	175.3	0	0	0	109.2	V27 T29 I40 R41 W44 R63	V27-L65 HydrophobicContact CB-CB 3.95Å; V27-L65 HydrophobicContact CB-CD2 4.27Å; V27-L65 HydrophobicContact CG1-CB 4.21Å; V27-L65 HydrophobicContact CG2-CB 4.15Å; V27-L65 HydrophobicContact CG2-CD1 4.17Å; V27-L65 HydrophobicContact CG2-CD2 3.8Å; V27-L65 HydrophobicContact CG2-CG 4.25Å; T29-L65 HydrophobicContact CG2-CD2 4.13Å; I40-L65 HydrophobicContact CG1-CD2 4.29Å; I40-L65 HydrophobicContact CG2-CD1 3.66Å; I40-L65 HydrophobicContact CG2-CD2 3.91Å; I40-L65 HydrophobicContact CG2-CG 4.45Å; R41-L65 HydrophobicContact CG-CD1 4.44Å; W44-L65 HydrophobicContact CE3-CD1 4.44Å; W44-L65 HydrophobicContact CH2-CD2 3.44Å; W44-L65 VanDerWaalsContact CH2-CD2 3.44Å; W44-L65 HydrophobicContact CH2-CG 4.02Å; W44-L65 HydrophobicContact CZ3-CD1 3.76Å; W44-L65 HydrophobicContact CZ3-CD2 3.55Å; W44-L65 HydrophobicContact CZ3-CG 3.63Å; R63-L65 PolarHBondContact O-N 3.48Å
66	R	90.9	Very high	86.5	Confident	179 Å²	179	88 Å²	88	68%	0.675	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.7	179.8	-62.8	-174.9	-173.1	-158.9	2	110	V27 M28 N68	V27-R66 CarbonylContact C-O 3.57Å; V27-R66 VanDerWaalsContact CA-O 3.3Å; V27-R66 WeakPolarHBondContact CA-O 3.23Å; M28-R66 PolarHBondContact N-O 3.3Å; M28-R66 PolarHBondContact O-N 3.14Å; R66-N68 PolarHBondContact O-N 3.22Å
67	P	91.5	Very high	86.3	Confident	78 Å²	78	90.3 Å²	90.3	51%	0.506	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	129.3	176.7	-22.4	33.2	0	0	0	112.2
68	N	92	Very high	86.1	Confident	28 Å²	28	80.7 Å²	80.7	15%	0.15	40%	0.397	C	S	.	.			trans	-102	80.6	178.6	-169.5	-19.6	0	0	0	110.5	P26 N34 R66 P70 L71 A72	P26-N68 HydrophobicContact CB-CB 4.44Å; P26-N68 WeakPolarHBondContact CG-O 3.42Å; P26-N68 PolarHBondContact O-N 3.37Å; N34-N68 PolarHBondContact OD1-ND2 3.29Å; R66-N68 PolarHBondContact O-N 3.22Å; N68-P70 WeakPolarHBondContact OD1-CD 3.16Å; N68-L71 HydrophobicContact CB-CB 4.03Å; N68-L71 PolarHBondContact O-N 3.48Å; N68-L71 WeakPolarHBondContact OD1-CB 3.22Å; N68-L71 PolarHBondContact OD1-N 3.05Å; N68-L71 VanDerWaalsContact OD1-N 3.07Å; N68-A72 PolarHBondContact O-N 3.49Å
69	R	90.4	Very high	85.8	Confident	200 Å²	200	78.5 Å²	78.5	76%	0.755	38%	0.384	S	S	*	.	H	α-helix	trans	-60	-39	-179.1	-62.6	-176.5	178.9	-173.5	-0.5	114	A72 K73	R69-A72 WeakPolarHBondContact O-CB 3.34Å; R69-A72 PolarHBondContact O-N 3.41Å; R69-K73 PolarHBondContact O-N 3.3Å; R69-K73 VanDerWaalsContact O-N 3.15Å
70	P	90.5	Very high	85.6	Confident	86 Å²	86	82 Å²	82	56%	0.558	39%	0.389	S	S	*	.	H	α-helix	trans	-59	-46.7	173.4	-26.5	35.2	0	0	0	112.9	N68 A72 K73 M74	N68-P70 WeakPolarHBondContact OD1-CD 3.16Å; P70-A72 VanDerWaalsContact C-N 3.29Å; P70-A72 PolarHBondContact O-N 3.49Å; P70-K73 WeakPolarHBondContact O-CB 3.3Å; P70-K73 PolarHBondContact O-N 2.82Å; P70-K73 VanDerWaalsContact O-N 3.13Å; P70-M74 WeakPolarHBondContact O-CG 3.36Å; P70-M74 PolarHBondContact O-N 2.95Å
71	L	91.3	Very high	85.4	Confident	16 Å²	16	86.8 Å²	86.8	8%	0.084	41%	0.413	C	S	.	.	H	α-helix	trans	-64.7	-34.3	177.5	-174.7	59.4	0	0	0	112	F23 P26 N34 N68 K73 M74 A75	F23-L71 HydrophobicContact CD2-CD1 3.94Å; F23-L71 HydrophobicContact CD2-CD2 3.75Å; F23-L71 HydrophobicContact CD2-CG 3.77Å; F23-L71 HydrophobicContact CE2-CD1 4.1Å; F23-L71 HydrophobicContact CE2-CD2 3.71Å; F23-L71 HydrophobicContact CE2-CG 4.13Å; F23-L71 HydrophobicContact CG-CD2 4.22Å; F23-L71 HydrophobicContact CG-CG 4.33Å; F23-L71 HydrophobicContact CZ-CD2 4.13Å; P26-L71 HydrophobicContact CB-CB 4.39Å; P26-L71 HydrophobicContact CB-CD2 3.89Å; P26-L71 HydrophobicContact CB-CG 4.15Å; P26-L71 HydrophobicContact CG-CB 4.17Å; P26-L71 HydrophobicContact CG-CD2 4.5Å; P26-L71 HydrophobicContact CG-CG 4.23Å; N34-L71 HydrophobicContact CB-CD2 3.4Å; N34-L71 VanDerWaalsContact CB-CD2 3.4Å; N68-L71 HydrophobicContact CB-CB 4.03Å; N68-L71 PolarHBondContact O-N 3.48Å; N68-L71 WeakPolarHBondContact OD1-CB 3.22Å; N68-L71 PolarHBondContact OD1-N 3.05Å; N68-L71 VanDerWaalsContact OD1-N 3.07Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.23Å; L71-M74 PolarHBondContact O-N 2.92Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 3.4Å
72	A	89.3	Confident	85.2	Confident	38 Å²	38	84.3 Å²	84.3	31%	0.314	39%	0.391	S	S	.	.	H	α-helix	trans	-59.5	-43.6	172.9	0	0	0	0	0	111.6	P26 N68 R69 P70 E76	P26-A72 HydrophobicContact CG-CB 3.72Å; N68-A72 PolarHBondContact O-N 3.49Å; R69-A72 WeakPolarHBondContact O-CB 3.34Å; R69-A72 PolarHBondContact O-N 3.41Å; P70-A72 VanDerWaalsContact C-N 3.29Å; P70-A72 PolarHBondContact O-N 3.49Å; A72-E76 WeakPolarHBondContact O-CB 3.32Å; A72-E76 PolarHBondContact O-N 3.23Å
73	K	88.8	Confident	84.6	Confident	139 Å²	139	83.3 Å²	83.3	60%	0.604	40%	0.395	S	S	*	.	H	α-helix	trans	-67.5	-39.9	175.5	-67.9	-178.1	179.4	-174.7	0	112	R69 P70 L71 E76 M77	R69-K73 PolarHBondContact O-N 3.3Å; R69-K73 VanDerWaalsContact O-N 3.15Å; P70-K73 WeakPolarHBondContact O-CB 3.3Å; P70-K73 PolarHBondContact O-N 2.82Å; P70-K73 VanDerWaalsContact O-N 3.13Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.23Å; K73-E76 PolarHBondContact O-N 3.02Å; K73-M77 HydrophobicContact CB-CE 4.32Å; K73-M77 WeakPolarHBondContact O-CE 3.36Å; K73-M77 WeakPolarHBondContact O-CG 3.49Å; K73-M77 PolarHBondContact O-N 3.14Å
74	M	88.4	Confident	83.4	Confident	78 Å²	78	82.6 Å²	82.6	38%	0.384	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-45	175.7	-72.4	174.7	61.2	0	0	111.6	L10 P70 L71 E76 M77 A78	L10-M74 HydrophobicContact CD1-CE 4.37Å; P70-M74 WeakPolarHBondContact O-CG 3.36Å; P70-M74 PolarHBondContact O-N 2.95Å; L71-M74 PolarHBondContact O-N 2.92Å; M74-E76 VanDerWaalsContact C-N 3.31Å; M74-E76 PolarHBondContact O-N 3.44Å; M74-M77 HydrophobicContact CG-CE 4.34Å; M74-M77 PolarHBondContact O-N 3.03Å; M74-A78 WeakPolarHBondContact O-CB 3.38Å; M74-A78 PolarHBondContact O-N 2.81Å
75	A	87	Confident	82	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-63.4	-36.4	174.8	0	0	0	0	0	112.2	A14 F23 L71 R79	A14-A75 HydrophobicContact CB-CB 4.47Å; F23-A75 HydrophobicContact CB-CB 3.86Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 3.4Å; A75-R79 WeakPolarHBondContact O-CB 3.49Å; A75-R79 VanDerWaalsContact O-CG 3.25Å; A75-R79 WeakPolarHBondContact O-CG 3.41Å; A75-R79 PolarHBondContact O-N 3.21Å
76	E	85.6	Confident	80.3	Confident	95 Å²	95	88.8 Å²	88.8	44%	0.444	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-41.7	173.4	-162.7	-171.6	159.4	0	0	112.2	A72 K73 M74 R79 R80	A72-E76 WeakPolarHBondContact O-CB 3.32Å; A72-E76 PolarHBondContact O-N 3.23Å; K73-E76 PolarHBondContact O-N 3.02Å; M74-E76 VanDerWaalsContact C-N 3.31Å; M74-E76 PolarHBondContact O-N 3.44Å; E76-R79 PolarHBondContact O-N 3.47Å; E76-R80 VanDerWaalsContact O-CG 3.31Å; E76-R80 WeakPolarHBondContact O-CG 3.22Å; E76-R80 PolarHBondContact O-N 2.84Å; E76-R80 IonicContact OE1-CZ 3.65Å; E76-R80 IonicContact OE1-NE 3.51Å; E76-R80 IonicContact OE1-NH2 3.78Å; E76-R80 PolarHBondContact OE1-NH2 3.05Å
77	M	84.3	Confident	78.4	Confident	106 Å²	106	86.3 Å²	86.3	52%	0.522	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-42.6	175	-72.9	-176.4	-76.3	0	0	111.4	K73 M74 R80 L81	K73-M77 HydrophobicContact CB-CE 4.32Å; K73-M77 WeakPolarHBondContact O-CE 3.36Å; K73-M77 WeakPolarHBondContact O-CG 3.49Å; K73-M77 PolarHBondContact O-N 3.14Å; M74-M77 HydrophobicContact CG-CE 4.34Å; M74-M77 PolarHBondContact O-N 3.03Å; M77-R80 PolarHBondContact O-N 2.82Å; M77-R80 VanDerWaalsContact O-N 3.13Å; M77-L81 WeakPolarHBondContact O-CG 3.49Å; M77-L81 PolarHBondContact O-N 2.82Å
78	A	83.7	Confident	76.6	Confident	1 Å²	1	86.2 Å²	86.2	1%	0.008	45%	0.453	C	S	.	.	H	α-helix	trans	-62.5	-42.9	174.8	0	0	0	0	0	111.6	A14 Y22 M74 R80 L81 H82	A14-A78 HydrophobicContact CB-CB 3.65Å; Y22-A78 HydrophobicContact CD1-CB 4.01Å; Y22-A78 HydrophobicContact CE1-CB 3.59Å; M74-A78 WeakPolarHBondContact O-CB 3.38Å; M74-A78 PolarHBondContact O-N 2.81Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 3.44Å; A78-L81 PolarHBondContact O-N 3.48Å; A78-H82 PolarHBondContact O-N 2.84Å
79	R	80.9	Confident	75.2	Confident	76 Å²	76	94.4 Å²	94.4	29%	0.287	49%	0.49	S	S	.	.	H	α-helix	trans	-60.1	-32.4	171.7	-78.3	179.4	-152.4	-148.4	4.3	113.4	Y22 F23 T24 A75 E76 H82 P83	Y22-R79 HydrophobicContact CD1-CG 4.37Å; Y22-R79 HydrophobicContact CD2-CB 4.4Å; Y22-R79 HydrophobicContact CD2-CG 3.36Å; Y22-R79 HydrophobicContact CE2-CG 4.04Å; Y22-R79 HydrophobicContact CG-CG 3.54Å; Y22-R79 PolarHBondContact O-NH2 3Å; F23-R79 VanDerWaalsContact C-NH2 3.27Å; F23-R79 PolarHBondContact O-NH2 3.36Å; T24-R79 PolarHBondContact OG1-NH2 2.92Å; A75-R79 WeakPolarHBondContact O-CB 3.49Å; A75-R79 VanDerWaalsContact O-CG 3.25Å; A75-R79 WeakPolarHBondContact O-CG 3.41Å; A75-R79 PolarHBondContact O-N 3.21Å; E76-R79 PolarHBondContact O-N 3.47Å; R79-H82 CarbonylContact O-C 3.57Å; R79-P83 WeakPolarHBondContact O-CA 3.39Å
80	R	80.9	Confident	74.3	Confident	182 Å²	182	87 Å²	87	69%	0.687	48%	0.475	S	S	*	.	H	α-helix	trans	-75.6	-35.9	177.7	-72.7	172.4	-174.5	-136	5.8	111.9	E76 M77 A78	E76-R80 VanDerWaalsContact O-CG 3.31Å; E76-R80 WeakPolarHBondContact O-CG 3.22Å; E76-R80 PolarHBondContact O-N 2.84Å; E76-R80 IonicContact OE1-CZ 3.65Å; E76-R80 IonicContact OE1-NE 3.51Å; E76-R80 IonicContact OE1-NH2 3.78Å; E76-R80 PolarHBondContact OE1-NH2 3.05Å; M77-R80 PolarHBondContact O-N 2.82Å; M77-R80 VanDerWaalsContact O-N 3.13Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 PolarHBondContact O-N 3.44Å
81	L	76.6	Confident	73.6	Confident	114 Å²	114	84.7 Å²	84.7	60%	0.597	46%	0.459	S	S	*	.	H	α-helix	trans	-74.1	-34.8	176.3	-67.5	169.9	0	0	0	111.6	L10 M77 A78	L10-L81 HydrophobicContact CD2-CD1 3.99Å; M77-L81 WeakPolarHBondContact O-CG 3.49Å; M77-L81 PolarHBondContact O-N 2.82Å; A78-L81 PolarHBondContact O-N 3.48Å
82	H	69.4	Low	73	Confident	66 Å²	66	84.2 Å²	84.2	31%	0.306	46%	0.458	S	S	.	.	S	Bend	trans	-135.2	85.5	178.3	-64	-59.6	0	0	0	109.5	S7 Y22 A78 R79	S7-H82 PolarHBondContact OG-CE1 3.23Å; S7-H82 PolarHBondContact OG-NE2 3.44Å; Y22-H82 WeakPolarHBondContact CE2-O 3.47Å; Y22-H82 VanDerWaalsContact OH-CB 3.22Å; Y22-H82 WeakPolarHBondContact OH-CB 3.35Å; Y22-H82 PolarHBondContact OH-O 3.44Å; A78-H82 PolarHBondContact O-N 2.84Å; R79-H82 CarbonylContact O-C 3.57Å
83	P	63.6	Low	72.3	Confident	94 Å²	94	88.5 Å²	88.5	61%	0.61	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-56.6	134.3	176.9	-21.8	31.6	0	0	0	110.3	R79 S85	R79-P83 WeakPolarHBondContact O-CA 3.39Å; P83-S85 PolarHBondContact O-N 3.25Å; P83-S85 VanDerWaalsContact O-N 3.12Å
84	P	55.2	Low	71.7	Confident	66 Å²	66	85.5 Å²	85.5	43%	0.429	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-54.7	126.9	166.8	23.1	-30.2	0	0	0	106.8
85	S	52.8	Low	71.2	Confident	107 Å²	107	86.2 Å²	86.2	75%	0.748	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-50.9	129.2	176.7	-73.3	0	0	0	0	107.7	P83 V87	P83-S85 PolarHBondContact O-N 3.25Å; P83-S85 VanDerWaalsContact O-N 3.12Å; S85-V87 PolarHBondContact O-N 3.37Å
86	P	53.6	Low	70.5	Confident	115 Å²	115	96.4 Å²	96.4	75%	0.747	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-51.6	122.2	-178.9	18.3	-29.9	0	0	0	108.1	P88	P86-P88 VanDerWaalsContact O-CD 3.32Å; P86-P88 WeakPolarHBondContact O-CD 3.38Å
87	V	50.5	Low	70.1	Confident	128 Å²	128	95 Å²	95	78%	0.776	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-49.9	119.1	165.7	-177.4	0	0	0	0	104.8	S85 Q89	S85-V87 PolarHBondContact O-N 3.37Å; V87-Q89 PolarHBondContact O-N 3.07Å
88	P	53.4	Low	70	Confident	76 Å²	76	94.4 Å²	94.4	49%	0.494	52%	0.522	S	S	.	.			trans	-64.7	109.6	-170	-18	28.8	0	0	0	108.4	P86 G90 V91	P86-P88 VanDerWaalsContact O-CD 3.32Å; P86-P88 WeakPolarHBondContact O-CD 3.38Å; P88-G90 PolarHBondContact O-N 3.27Å; P88-V91 HydrophobicContact CB-CB 4.11Å; P88-V91 HydrophobicContact CB-CG1 3.5Å; P88-V91 HydrophobicContact CB-CG2 3.59Å; P88-V91 HydrophobicContact CG-CG1 4.26Å; P88-V91 HydrophobicContact CG-CG2 3.85Å; P88-V91 WeakPolarHBondContact O-CG2 3.34Å; P88-V91 PolarHBondContact O-N 3.21Å
89	Q	63.5	Low	70.1	Confident	200 Å²	200	95.9 Å²	95.9	94%	0.935	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	125.9	169.5	-71.9	176.8	-5.1	0	0	106.5	V87	V87-Q89 PolarHBondContact O-N 3.07Å
90	G	70.4	Confident	70.2	Confident	43 Å²	43	95.2 Å²	95.2	44%	0.443	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	18.3	-174.4	0	0	0	0	0	115.2	P88 P98 L99	P88-G90 PolarHBondContact O-N 3.27Å; G90-P98 CarbonylContact O-C 3.6Å; G90-P98 WeakPolarHBondContact O-CA 3.17Å; G90-L99 PolarHBondContact O-N 3.06Å
91	V	75.8	Confident	70.4	Confident	38 Å²	38	86.7 Å²	86.7	23%	0.23	51%	0.509	C	S	.	.	B	Isolated β-bridge	trans	-112.9	149.4	164.6	-55.7	0	0	0	0	112.5	P88 E97	P88-V91 HydrophobicContact CB-CB 4.11Å; P88-V91 HydrophobicContact CB-CG1 3.5Å; P88-V91 HydrophobicContact CB-CG2 3.59Å; P88-V91 HydrophobicContact CG-CG1 4.26Å; P88-V91 HydrophobicContact CG-CG2 3.85Å; P88-V91 WeakPolarHBondContact O-CG2 3.34Å; P88-V91 PolarHBondContact O-N 3.21Å; V91-E97 CarbonylContact C-O 3.56Å; V91-E97 WeakPolarHBondContact CA-O 3.32Å; V91-E97 WeakPolarHBondContact CB-O 3.1Å
92	C	79.3	Confident	71	Confident	7 Å²	7	82.3 Å²	82.3	5%	0.047	49%	0.485	C	S	.	.			trans	-66	130.1	176.7	175.2	0	0	0	0	110.3	A94 H95 R96 E97 L99 C111 C114	C92-A94 VanDerWaalsContact C-N 3.26Å; C92-A94 PolarHBondContact O-N 3.01Å; C92-A94 PolarHBondContact SG-N 3Å; C92-H95 HydrophobicContact CB-CB 4.36Å; C92-H95 PolarHBondContact SG-ND1 2.89Å; C92-R96 WeakPolarHBondContact O-CA 3.42Å; C92-R96 PolarHBondContact O-N 3.42Å; C92-E97 PolarHBondContact N-O 2.93Å; C92-L99 HydrophobicContact CB-CD2 3.86Å; C92-C111 HydrophobicContact CB-CB 3.64Å; C92-C111 WeakPolarHBondContact CB-SG 3.31Å; C92-C114 VanDerWaalsContact SG-SG 3.67Å
93	P	74.6	Confident	71.9	Confident	127 Å²	127	79.2 Å²	79.2	83%	0.825	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.3	-179.8	23.8	-32.5	0	0	0	113.3
94	A	77.3	Confident	72.7	Confident	77 Å²	77	76 Å²	76	64%	0.636	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-42.6	179.9	0	0	0	0	0	112.9	C92	C92-A94 VanDerWaalsContact C-N 3.26Å; C92-A94 PolarHBondContact O-N 3.01Å; C92-A94 PolarHBondContact SG-N 3Å
95	H	76	Confident	74.1	Confident	93 Å²	93	77.5 Å²	77.5	43%	0.431	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-9.8	-170.2	-56.3	108.6	0	0	0	114	C92 E97 A113 C114	C92-H95 HydrophobicContact CB-CB 4.36Å; C92-H95 PolarHBondContact SG-ND1 2.89Å; H95-E97 HydrophobicContact CB-CB 4.49Å; H95-E97 HydrophobicContact CB-CG 4.25Å; H95-E97 PolarHBondContact O-N 3.48Å; H95-A113 HydrophobicContact CB-CB 4.12Å; H95-C114 PolarHBondContact CE1-SG 2.77Å; H95-C114 PolarHBondContact ND1-SG 3.01Å
96	R	73.1	Confident	75.5	Confident	214 Å²	214	75.7 Å²	75.7	81%	0.808	44%	0.438	S	S	*	.			trans	53.1	23.2	-174.6	-57.5	-161.2	177.5	-165.9	1.5	114.6	C92	C92-R96 WeakPolarHBondContact O-CA 3.42Å; C92-R96 PolarHBondContact O-N 3.42Å
97	E	76.8	Confident	76.9	Confident	64 Å²	64	76.1 Å²	76.1	30%	0.299	43%	0.434	S	S	.	.			trans	-94.6	153.2	174.4	-70.3	-177	165.3	0	0	111.4	V91 C92 H95 L99 C111 A112 A113	V91-E97 CarbonylContact C-O 3.56Å; V91-E97 WeakPolarHBondContact CA-O 3.32Å; V91-E97 WeakPolarHBondContact CB-O 3.1Å; C92-E97 PolarHBondContact N-O 2.93Å; H95-E97 HydrophobicContact CB-CB 4.49Å; H95-E97 HydrophobicContact CB-CG 4.25Å; H95-E97 PolarHBondContact O-N 3.48Å; E97-L99 PolarHBondContact O-N 3.42Å; E97-C111 HydrophobicContact CB-CB 3.65Å; E97-C111 PolarHBondContact OE2-SG 3.33Å; E97-C111 VanDerWaalsContact OE2-SG 3.41Å; E97-A112 PolarHBondContact OE2-N 3.13Å; E97-A113 WeakPolarHBondContact OE2-CB 3.48Å; E97-A113 PolarHBondContact OE2-N 3.4Å
98	P	82	Confident	78.4	Confident	94 Å²	94	77.4 Å²	77.4	61%	0.61	43%	0.425	S	S	*	.	B	Isolated β-bridge	trans	-55.9	134.6	173.9	-22.8	33.1	0	0	0	112.8	G90 A100 C111	G90-P98 CarbonylContact O-C 3.6Å; G90-P98 WeakPolarHBondContact O-CA 3.17Å; P98-A100 PolarHBondContact O-N 3.44Å; P98-C111 WeakPolarHBondContact O-CA 3.36Å; P98-C111 VanDerWaalsContact O-CB 3.25Å; P98-C111 WeakPolarHBondContact O-CB 3.38Å
99	L	85.8	Confident	80	Confident	33 Å²	33	78 Å²	78	17%	0.173	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.6	171.5	-64.9	171.5	0	0	0	108.3	G90 C92 E97 L109 L110 C111	G90-L99 PolarHBondContact O-N 3.06Å; C92-L99 HydrophobicContact CB-CD2 3.86Å; E97-L99 PolarHBondContact O-N 3.42Å; L99-L109 HydrophobicContact CB-CB 4.21Å; L99-L109 HydrophobicContact CD1-CB 3.87Å; L99-L109 HydrophobicContact CD1-CD1 4.08Å; L99-L109 HydrophobicContact CD2-CB 4.11Å; L99-L109 HydrophobicContact CG-CB 4.28Å; L99-L110 CarbonylContact C-O 3.57Å; L99-L110 WeakPolarHBondContact CA-O 3.44Å; L99-C111 HydrophobicContact CD2-CB 4.36Å
100	A	83.6	Confident	81.1	Confident	61 Å²	61	68.8 Å²	68.8	50%	0.504	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	-9.5	-172.5	0	0	0	0	0	113.3	P98 L110 L128	P98-A100 PolarHBondContact O-N 3.44Å; A100-L110 PolarHBondContact N-O 2.76Å; A100-L128 VanDerWaalsContact O-CB 3.27Å; A100-L128 WeakPolarHBondContact O-CB 3.27Å; A100-L128 PolarHBondContact O-N 3.18Å
101	A	86	Confident	81.8	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.033	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	162.4	-178.8	0	0	0	0	0	111.7	L109 L110 V125 R126	A101-L109 CarbonylContact O-C 3.53Å; A101-L109 WeakPolarHBondContact O-CA 3.48Å; A101-L110 HydrophobicContact CB-CB 4.26Å; A101-L110 PolarHBondContact N-O 2.87Å; A101-L110 PolarHBondContact O-N 2.79Å; A101-V125 HydrophobicContact CB-CG1 3.7Å; A101-R126 CarbonylContact C-O 3.52Å; A101-R126 VanDerWaalsContact CA-O 3.29Å; A101-R126 WeakPolarHBondContact CA-O 3.43Å
102	F	89.4	Confident	82.1	Confident	22 Å²	22	66.5 Å²	66.5	10%	0.096	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.5	179.4	178.1	-98.9	0	0	0	110.6	L107 R108 L109 V125 R126 A131 L135	F102-L107 HydrophobicContact CE1-CD2 4.15Å; F102-L107 VanDerWaalsContact CE2-C 3.46Å; F102-L107 HydrophobicContact CE2-CB 4.45Å; F102-L107 HydrophobicContact CZ-CB 4.07Å; F102-L107 HydrophobicContact CZ-CD2 3.67Å; F102-L107 HydrophobicContact CZ-CG 4.49Å; F102-R108 WeakPolarHBondContact CA-O 3.06Å; F102-R108 WeakPolarHBondContact CD2-O 3.42Å; F102-L109 HydrophobicContact CD2-CD2 4.11Å; F102-V125 WeakPolarHBondContact O-CA 3.43Å; F102-R126 PolarHBondContact N-O 2.76Å; F102-R126 PolarHBondContact O-N 3.38Å; F102-A131 HydrophobicContact CB-CB 3.56Å; F102-A131 HydrophobicContact CD1-CB 3.66Å; F102-A131 HydrophobicContact CG-CB 3.85Å; F102-L135 HydrophobicContact CE1-CD1 3.96Å; F102-L135 HydrophobicContact CE2-CD1 4.38Å; F102-L135 HydrophobicContact CZ-CD1 3.79Å
103	C	87.8	Confident	82.2	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.1	172	-178.1	0	0	0	0	109.5	D105 E106 L107 R108 L110	C103-D105 VanDerWaalsContact C-N 3.3Å; C103-D105 PolarHBondContact O-N 3.32Å; C103-E106 HydrophobicContact CB-CB 4.49Å; C103-L107 VanDerWaalsContact O-CA 3.28Å; C103-L107 WeakPolarHBondContact O-CA 3.25Å; C103-L107 PolarHBondContact O-N 3.12Å; C103-R108 PolarHBondContact N-O 2.76Å; C103-R108 PolarHBondContact O-N 3.3Å; C103-L110 HydrophobicContact CB-CD1 3.98Å; C103-L110 HydrophobicContact CB-CG 4.32Å
104	G	80.4	Confident	82.5	Confident	26 Å²	26	62.2 Å²	62.2	27%	0.268	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.1	-179.6	0	0	0	0	0	114.7	R124	G104-R124 PolarHBondContact N-O 2.84Å
105	D	83.2	Confident	82.6	Confident	99 Å²	99	63 Å²	63	53%	0.529	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-38.6	-176.1	-55.2	-54	0	0	0	111.8	C103 H123 R124	C103-D105 VanDerWaalsContact C-N 3.3Å; C103-D105 PolarHBondContact O-N 3.32Å; D105-H123 VanDerWaalsContact OD2-CA 3.22Å; D105-H123 WeakPolarHBondContact OD2-CA 3.4Å; D105-H123 VanDerWaalsContact OD2-CB 3.32Å; D105-H123 WeakPolarHBondContact OD2-CB 3.29Å; D105-H123 IonicContact OD2-CD2 3.74Å; D105-H123 IonicContact OD2-CG 3.71Å; D105-R124 PolarHBondContact OD2-N 2.8Å
106	E	82.1	Confident	82.7	Confident	69 Å²	69	67.1 Å²	67.1	32%	0.322	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.5	178.6	-66.4	-173.2	-156.2	0	0	114.1	C103 R108 H120 H123	C103-E106 HydrophobicContact CB-CB 4.49Å; E106-R108 VanDerWaalsContact C-N 3.29Å; E106-R108 HydrophobicContact CB-CB 4.44Å; E106-R108 HydrophobicContact CB-CG 4.29Å; E106-R108 PolarHBondContact O-N 2.86Å; E106-R108 WeakPolarHBondContact OE2-CD 3.39Å; E106-R108 IonicContact OE2-CZ 3.94Å; E106-R108 IonicContact OE2-NE 2.71Å; E106-R108 IonicContact OE2-NH1 3.62Å; E106-R108 PolarHBondContact OE2-NH1 3.03Å; E106-H120 IonicContact OE1-CE1 3.48Å; E106-H120 PolarHBondContact OE1-CE1 2.94Å; E106-H120 IonicContact OE1-ND1 3.91Å; E106-H120 IonicContact OE2-CE1 3.53Å; E106-H123 IonicContact OE1-CE1 3.21Å; E106-H123 PolarHBondContact OE1-CE1 2.86Å; E106-H123 IonicContact OE1-ND1 3.52Å
107	L	83.3	Confident	82.8	Confident	123 Å²	123	58.4 Å²	58.4	64%	0.644	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	41.3	-175.1	-55.2	174.7	0	0	0	113.4	F102 C103	F102-L107 HydrophobicContact CE1-CD2 4.15Å; F102-L107 VanDerWaalsContact CE2-C 3.46Å; F102-L107 HydrophobicContact CE2-CB 4.45Å; F102-L107 HydrophobicContact CZ-CB 4.07Å; F102-L107 HydrophobicContact CZ-CD2 3.67Å; F102-L107 HydrophobicContact CZ-CG 4.49Å; C103-L107 VanDerWaalsContact O-CA 3.28Å; C103-L107 WeakPolarHBondContact O-CA 3.25Å; C103-L107 PolarHBondContact O-N 3.12Å
108	R	83.1	Confident	82.4	Confident	156 Å²	156	58.3 Å²	58.3	59%	0.589	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.8	-176.2	-74.3	173.7	-179.5	171.9	-6.5	112.5	F102 C103 E106	F102-R108 WeakPolarHBondContact CA-O 3.06Å; F102-R108 WeakPolarHBondContact CD2-O 3.42Å; C103-R108 PolarHBondContact N-O 2.76Å; C103-R108 PolarHBondContact O-N 3.3Å; E106-R108 VanDerWaalsContact C-N 3.29Å; E106-R108 HydrophobicContact CB-CB 4.44Å; E106-R108 HydrophobicContact CB-CG 4.29Å; E106-R108 PolarHBondContact O-N 2.86Å; E106-R108 WeakPolarHBondContact OE2-CD 3.39Å; E106-R108 IonicContact OE2-CZ 3.94Å; E106-R108 IonicContact OE2-NE 2.71Å; E106-R108 IonicContact OE2-NH1 3.62Å; E106-R108 PolarHBondContact OE2-NH1 3.03Å
109	L	86	Confident	82.1	Confident	88 Å²	88	61 Å²	61	46%	0.461	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.7	172	-62.8	172.1	0	0	0	110.1	L99 A101 F102 L128	L99-L109 HydrophobicContact CB-CB 4.21Å; L99-L109 HydrophobicContact CD1-CB 3.87Å; L99-L109 HydrophobicContact CD1-CD1 4.08Å; L99-L109 HydrophobicContact CD2-CB 4.11Å; L99-L109 HydrophobicContact CG-CB 4.28Å; A101-L109 CarbonylContact O-C 3.53Å; A101-L109 WeakPolarHBondContact O-CA 3.48Å; F102-L109 HydrophobicContact CD2-CD2 4.11Å; L109-L128 HydrophobicContact CD2-CD1 3.2Å; L109-L128 HydrophobicContact CD2-CG 4.48Å
110	L	86.8	Confident	81.5	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.6	-177.9	-55.2	-178.9	0	0	0	110.5	L99 A100 A101 C103 C114 H120 V125	L99-L110 CarbonylContact C-O 3.57Å; L99-L110 WeakPolarHBondContact CA-O 3.44Å; A100-L110 PolarHBondContact N-O 2.76Å; A101-L110 HydrophobicContact CB-CB 4.26Å; A101-L110 PolarHBondContact N-O 2.87Å; A101-L110 PolarHBondContact O-N 2.79Å; C103-L110 HydrophobicContact CB-CD1 3.98Å; C103-L110 HydrophobicContact CB-CG 4.32Å; L110-C114 HydrophobicContact CB-CB 4.1Å; L110-C114 HydrophobicContact CD2-CB 4.02Å; L110-H120 HydrophobicContact CD1-CB 4.26Å; L110-V125 HydrophobicContact CD1-CG1 4.05Å; L110-V125 HydrophobicContact CD1-CG2 3.89Å
111	C	85.2	Confident	81	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	172.2	162.1	72.1	0	0	0	0	110.5	C92 E97 P98 L99 A113 C114 E115	C92-C111 HydrophobicContact CB-CB 3.64Å; C92-C111 WeakPolarHBondContact CB-SG 3.31Å; E97-C111 HydrophobicContact CB-CB 3.65Å; E97-C111 PolarHBondContact OE2-SG 3.33Å; E97-C111 VanDerWaalsContact OE2-SG 3.41Å; P98-C111 WeakPolarHBondContact O-CA 3.36Å; P98-C111 VanDerWaalsContact O-CB 3.25Å; P98-C111 WeakPolarHBondContact O-CB 3.38Å; L99-C111 HydrophobicContact CD2-CB 4.36Å; C111-A113 VanDerWaalsContact C-N 3.26Å; C111-A113 PolarHBondContact O-N 2.81Å; C111-C114 PolarHBondContact O-N 3.23Å; C111-E115 PolarHBondContact O-N 3.33Å
112	A	81.7	Confident	80.7	Confident	34 Å²	34	70.6 Å²	70.6	28%	0.281	37%	0.366	S	S	.	.	H	α-helix	trans	-59.5	-34	-176.9	0	0	0	0	0	113.3	E97 R116	E97-A112 PolarHBondContact OE2-N 3.13Å; A112-R116 WeakPolarHBondContact O-CG 3.43Å; A112-R116 PolarHBondContact O-N 3Å; A112-R116 PolarHBondContact O-NE 3.3Å; A112-R116 PolarHBondContact O-NH2 3.01Å
113	A	81.6	Confident	80.5	Confident	23 Å²	23	72.8 Å²	72.8	19%	0.19	38%	0.377	C	S	.	.	H	α-helix	trans	-67.7	-40.7	173.2	0	0	0	0	0	113.6	H95 E97 C111 R116 S117	H95-A113 HydrophobicContact CB-CB 4.12Å; E97-A113 WeakPolarHBondContact OE2-CB 3.48Å; E97-A113 PolarHBondContact OE2-N 3.4Å; C111-A113 VanDerWaalsContact C-N 3.26Å; C111-A113 PolarHBondContact O-N 2.81Å; A113-R116 PolarHBondContact O-N 3.4Å; A113-S117 PolarHBondContact O-N 2.97Å; A113-S117 VanDerWaalsContact O-N 3.14Å
114	C	82.3	Confident	80.2	Confident	21 Å²	21	80.9 Å²	80.9	14%	0.142	41%	0.407	C	S	.	.	H	α-helix	trans	-69.1	-34.8	176.7	-71.7	0	0	0	0	112.5	C92 H95 L110 C111 R116 S117	C92-C114 VanDerWaalsContact SG-SG 3.67Å; H95-C114 PolarHBondContact CE1-SG 2.77Å; H95-C114 PolarHBondContact ND1-SG 3.01Å; L110-C114 HydrophobicContact CB-CB 4.1Å; L110-C114 HydrophobicContact CD2-CB 4.02Å; C111-C114 PolarHBondContact O-N 3.23Å; C114-R116 VanDerWaalsContact C-N 3.33Å; C114-S117 PolarHBondContact O-N 2.88Å; C114-S117 PolarHBondContact O-OG 3.15Å
115	E	79.6	Confident	80.5	Confident	93 Å²	93	81.3 Å²	81.3	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-66.3	-36.9	176.4	179.3	175.1	-166.3	0	0	112.1	C111 S117 V125	C111-E115 PolarHBondContact O-N 3.33Å; E115-S117 VanDerWaalsContact C-N 3.31Å; E115-V125 HydrophobicContact CG-CG1 4.04Å
116	R	76.6	Confident	80.6	Confident	180 Å²	180	79 Å²	79	68%	0.679	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.5	176	-68.8	-174.1	-65.3	-96.5	-1.4	113.7	A112 A113 C114	A112-R116 WeakPolarHBondContact O-CG 3.43Å; A112-R116 PolarHBondContact O-N 3Å; A112-R116 PolarHBondContact O-NE 3.3Å; A112-R116 PolarHBondContact O-NH2 3.01Å; A113-R116 PolarHBondContact O-N 3.4Å; C114-R116 VanDerWaalsContact C-N 3.33Å
117	S	75.4	Confident	81	Confident	30 Å²	30	79 Å²	79	21%	0.21	40%	0.395	C	S	.	.	S	Bend	trans	-69.7	147.9	176	87.2	0	0	0	0	109.3	A113 C114 E115 E119 H120	A113-S117 PolarHBondContact O-N 2.97Å; A113-S117 VanDerWaalsContact O-N 3.14Å; C114-S117 PolarHBondContact O-N 2.88Å; C114-S117 PolarHBondContact O-OG 3.15Å; E115-S117 VanDerWaalsContact C-N 3.31Å; S117-E119 PolarHBondContact O-N 3.13Å; S117-E119 WeakPolarHBondContact OG-CB 3.28Å; S117-E119 PolarHBondContact OG-N 2.93Å; S117-H120 PolarHBondContact O-N 2.79Å
118	G	69.8	Low	81	Confident	63 Å²	63	76.1 Å²	76.1	65%	0.649	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	0.3	175.9	0	0	0	0	0	114
119	E	73.9	Confident	81	Confident	149 Å²	149	74.4 Å²	74.4	70%	0.696	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-28.7	-178.5	-60.6	177.9	149.8	0	0	112.2	S117	S117-E119 PolarHBondContact O-N 3.13Å; S117-E119 WeakPolarHBondContact OG-CB 3.28Å; S117-E119 PolarHBondContact OG-N 2.93Å
120	H	73.8	Confident	81.1	Confident	16 Å²	16	74.2 Å²	74.2	7%	0.074	38%	0.377	C	S	.	.	S	Bend	trans	-111.6	9	-178.5	-65.2	-79.7	0	0	0	114	E106 L110 S117 A122 H123 V125	E106-H120 IonicContact OE1-CE1 3.48Å; E106-H120 PolarHBondContact OE1-CE1 2.94Å; E106-H120 IonicContact OE1-ND1 3.91Å; E106-H120 IonicContact OE2-CE1 3.53Å; L110-H120 HydrophobicContact CD1-CB 4.26Å; S117-H120 PolarHBondContact O-N 2.79Å; H120-A122 VanDerWaalsContact C-N 3.25Å; H120-A122 PolarHBondContact O-N 3.04Å; H120-H123 HydrophobicContact CB-CB 4.46Å; H120-H123 AromaticContact ND1-ND1 3.42Å; H120-H123 PolarHBondContact ND1-ND1 3.41Å; H120-H123 PolarHBondContact O-N 2.93Å; H120-V125 HydrophobicContact CB-CG2 4.17Å
121	W	73.1	Confident	81.1	Confident	214 Å²	214	74 Å²	74	81%	0.811	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.1	-173.1	85	-81	0	0	0	114.5
122	A	79.3	Confident	81.2	Confident	71 Å²	71	76 Å²	76	59%	0.587	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-1.8	178.9	0	0	0	0	0	113.1	H120	H120-A122 VanDerWaalsContact C-N 3.25Å; H120-A122 PolarHBondContact O-N 3.04Å
123	H	85.8	Confident	81.5	Confident	67 Å²	67	79.6 Å²	79.6	31%	0.31	40%	0.404	S	S	.	.	S	Bend	trans	-90.8	154.6	-177.4	-67.7	163.6	0	0	0	111.7	D105 E106 H120 V125	D105-H123 VanDerWaalsContact OD2-CA 3.22Å; D105-H123 WeakPolarHBondContact OD2-CA 3.4Å; D105-H123 VanDerWaalsContact OD2-CB 3.32Å; D105-H123 WeakPolarHBondContact OD2-CB 3.29Å; D105-H123 IonicContact OD2-CD2 3.74Å; D105-H123 IonicContact OD2-CG 3.71Å; E106-H123 IonicContact OE1-CE1 3.21Å; E106-H123 PolarHBondContact OE1-CE1 2.86Å; E106-H123 IonicContact OE1-ND1 3.52Å; H120-H123 HydrophobicContact CB-CB 4.46Å; H120-H123 AromaticContact ND1-ND1 3.42Å; H120-H123 PolarHBondContact ND1-ND1 3.41Å; H120-H123 PolarHBondContact O-N 2.93Å; H123-V125 PolarHBondContact O-N 3.43Å
124	R	81.6	Confident	81.8	Confident	171 Å²	171	81.9 Å²	81.9	65%	0.645	41%	0.414	S	S	*	.			trans	-78.9	88.7	176.5	-165.2	177.8	-131.9	-146.7	2.3	110.2	G104 D105	G104-R124 PolarHBondContact N-O 2.84Å; D105-R124 PolarHBondContact OD2-N 2.8Å
125	V	86.4	Confident	82.1	Confident	35 Å²	35	83.8 Å²	83.8	21%	0.212	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.3	175.4	-175	0	0	0	0	110.3	A101 F102 L110 E115 H120 H123	A101-V125 HydrophobicContact CB-CG1 3.7Å; F102-V125 WeakPolarHBondContact O-CA 3.43Å; L110-V125 HydrophobicContact CD1-CG1 4.05Å; L110-V125 HydrophobicContact CD1-CG2 3.89Å; E115-V125 HydrophobicContact CG-CG1 4.04Å; H120-V125 HydrophobicContact CB-CG2 4.17Å; H123-V125 PolarHBondContact O-N 3.43Å
126	R	85.9	Confident	82.7	Confident	49 Å²	49	85.3 Å²	85.3	19%	0.185	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.2	178.9	-63.9	-176.5	-66.8	174.9	13.4	110.7	A101 F102 A131 D134	A101-R126 CarbonylContact C-O 3.52Å; A101-R126 VanDerWaalsContact CA-O 3.29Å; A101-R126 WeakPolarHBondContact CA-O 3.43Å; F102-R126 PolarHBondContact N-O 2.76Å; F102-R126 PolarHBondContact O-N 3.38Å; R126-A131 HydrophobicContact CB-CB 4.43Å; R126-D134 IonicContact CZ-OD2 3.69Å; R126-D134 IonicContact NH1-OD2 3.9Å; R126-D134 PolarHBondContact NH1-OD2 2.75Å; R126-D134 IonicContact NH2-OD2 2.89Å
127	P	89.3	Confident	83.5	Confident	70 Å²	70	79.3 Å²	79.3	46%	0.455	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	144.1	171.2	-24.9	35.1	0	0	0	111.2	Q129 D130 A131	P127-Q129 VanDerWaalsContact C-N 3.26Å; P127-Q129 PolarHBondContact O-N 2.6Å; P127-D130 HydrophobicContact CB-CB 4.4Å; P127-D130 WeakPolarHBondContact CG-OD2 3.41Å; P127-D130 PolarHBondContact O-N 2.9Å; P127-A131 WeakPolarHBondContact O-CB 3.25Å; P127-A131 PolarHBondContact O-N 2.95Å
128	L	84.5	Confident	84.3	Confident	63 Å²	63	83.9 Å²	83.9	33%	0.33	43%	0.432	S	S	.	.	H	α-helix	trans	-54.8	-44.5	-177.6	176	56.9	0	0	0	112	A100 L109 A131 A132	A100-L128 VanDerWaalsContact O-CB 3.27Å; A100-L128 WeakPolarHBondContact O-CB 3.27Å; A100-L128 PolarHBondContact O-N 3.18Å; L109-L128 HydrophobicContact CD2-CD1 3.2Å; L109-L128 HydrophobicContact CD2-CG 4.48Å; L128-A131 PolarHBondContact O-N 3.41Å; L128-A132 VanDerWaalsContact O-CB 3.25Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.31Å
129	Q	83.8	Confident	85.5	Confident	119 Å²	119	86.3 Å²	86.3	56%	0.556	43%	0.429	S	S	*	.	H	α-helix	trans	-64	-49.9	-178	-170.3	61.9	25.2	0	0	111.3	P127 A131 A132 E133	P127-Q129 VanDerWaalsContact C-N 3.26Å; P127-Q129 PolarHBondContact O-N 2.6Å; Q129-A131 VanDerWaalsContact C-N 3.34Å; Q129-A131 PolarHBondContact O-N 3.46Å; Q129-A132 PolarHBondContact O-N 3.29Å; Q129-E133 PolarHBondContact NE2-OE1 3.44Å; Q129-E133 WeakPolarHBondContact O-CG 3.26Å; Q129-E133 PolarHBondContact O-N 3.26Å
130	D	86.4	Confident	86.5	Confident	84 Å²	84	84.2 Å²	84.2	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-61.4	-42	178.4	-57.4	-1.5	0	0	0	111.7	P127 E133 D134	P127-D130 HydrophobicContact CB-CB 4.4Å; P127-D130 WeakPolarHBondContact CG-OD2 3.41Å; P127-D130 PolarHBondContact O-N 2.9Å; D130-E133 PolarHBondContact O-N 2.86Å; D130-D134 WeakPolarHBondContact O-CB 3.28Å; D130-D134 PolarHBondContact O-N 3.01Å
131	A	87.1	Confident	87.6	Confident	1 Å²	1	91.6 Å²	91.6	1%	0.008	45%	0.451	C	S	.	.	H	α-helix	trans	-66.3	-37.7	177.1	0	0	0	0	0	112.3	F102 R126 P127 L128 Q129 L135	F102-A131 HydrophobicContact CB-CB 3.56Å; F102-A131 HydrophobicContact CD1-CB 3.66Å; F102-A131 HydrophobicContact CG-CB 3.85Å; R126-A131 HydrophobicContact CB-CB 4.43Å; P127-A131 WeakPolarHBondContact O-CB 3.25Å; P127-A131 PolarHBondContact O-N 2.95Å; L128-A131 PolarHBondContact O-N 3.41Å; Q129-A131 VanDerWaalsContact C-N 3.34Å; Q129-A131 PolarHBondContact O-N 3.46Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 VanDerWaalsContact O-CG 3.26Å; A131-L135 WeakPolarHBondContact O-CG 3.44Å; A131-L135 PolarHBondContact O-N 3.47Å
132	A	87.1	Confident	88.7	Confident	44 Å²	44	84.4 Å²	84.4	36%	0.364	43%	0.434	S	S	.	.	H	α-helix	trans	-68	-42.5	176.4	0	0	0	0	0	111.7	L128 Q129 L135 K136	L128-A132 VanDerWaalsContact O-CB 3.25Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.31Å; Q129-A132 PolarHBondContact O-N 3.29Å; A132-L135 PolarHBondContact O-N 2.9Å; A132-K136 WeakPolarHBondContact O-CB 3.35Å; A132-K136 PolarHBondContact O-N 2.77Å
133	E	89.4	Confident	89.5	Confident	108 Å²	108	85.2 Å²	85.2	51%	0.505	43%	0.428	S	S	.	.	H	α-helix	trans	-63.4	-44.6	176.3	-74	176.4	-167.5	0	0	111.6	Q129 D130 K136 A137	Q129-E133 PolarHBondContact NE2-OE1 3.44Å; Q129-E133 WeakPolarHBondContact O-CG 3.26Å; Q129-E133 PolarHBondContact O-N 3.26Å; D130-E133 PolarHBondContact O-N 2.86Å; E133-K136 PolarHBondContact O-N 2.97Å; E133-A137 WeakPolarHBondContact O-CB 3.48Å; E133-A137 PolarHBondContact O-N 3.17Å
134	D	87.9	Confident	90.1	Very high	72 Å²	72	87.6 Å²	87.6	39%	0.385	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-44.1	175.3	-88.6	1.7	0	0	0	112.9	R126 D130 A137 K138	R126-D134 IonicContact CZ-OD2 3.69Å; R126-D134 IonicContact NH1-OD2 3.9Å; R126-D134 PolarHBondContact NH1-OD2 2.75Å; R126-D134 IonicContact NH2-OD2 2.89Å; D130-D134 WeakPolarHBondContact O-CB 3.28Å; D130-D134 PolarHBondContact O-N 3.01Å; D134-A137 PolarHBondContact O-N 3.45Å; D134-K138 WeakPolarHBondContact O-CG 3.34Å; D134-K138 PolarHBondContact O-N 3.01Å
135	L	87.9	Confident	90.8	Very high	60 Å²	60	84.6 Å²	84.6	31%	0.314	43%	0.432	S	S	.	.	H	α-helix	trans	-65.7	-41.4	177	-78.1	170.7	0	0	0	110.8	F102 A131 A132 K138 L139	F102-L135 HydrophobicContact CE1-CD1 3.96Å; F102-L135 HydrophobicContact CE2-CD1 4.38Å; F102-L135 HydrophobicContact CZ-CD1 3.79Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 VanDerWaalsContact O-CG 3.26Å; A131-L135 WeakPolarHBondContact O-CG 3.44Å; A131-L135 PolarHBondContact O-N 3.47Å; A132-L135 PolarHBondContact O-N 2.9Å; L135-K138 PolarHBondContact O-N 2.94Å; L135-L139 WeakPolarHBondContact O-CB 3.32Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.42Å; L135-L139 PolarHBondContact O-N 2.82Å
136	K	92.3	Very high	91.3	Very high	126 Å²	126	87.7 Å²	87.7	55%	0.548	45%	0.447	S	S	.	.	H	α-helix	trans	-59.1	-47.7	174.6	-177.4	-179.1	174.6	-172.7	0	110.9	A132 E133 K138 L139 E140	A132-K136 WeakPolarHBondContact O-CB 3.35Å; A132-K136 PolarHBondContact O-N 2.77Å; E133-K136 PolarHBondContact O-N 2.97Å; K136-K138 VanDerWaalsContact C-N 3.33Å; K136-K138 PolarHBondContact O-N 3Å; K136-L139 PolarHBondContact O-N 2.88Å; K136-L139 VanDerWaalsContact O-N 3.17Å; K136-E140 WeakPolarHBondContact CE-OE1 3.45Å; K136-E140 HydrophobicContact CG-CG 4.44Å; K136-E140 WeakPolarHBondContact O-CB 3.08Å; K136-E140 WeakPolarHBondContact O-CG 3.16Å; K136-E140 PolarHBondContact O-N 3.35Å
137	A	92.8	Very high	91.9	Very high	53 Å²	53	91.8 Å²	91.8	44%	0.438	46%	0.462	S	S	.	.	H	α-helix	trans	-60.9	-40.4	176.9	0	0	0	0	0	112.4	E133 D134 E140 K141	E133-A137 WeakPolarHBondContact O-CB 3.48Å; E133-A137 PolarHBondContact O-N 3.17Å; D134-A137 PolarHBondContact O-N 3.45Å; A137-E140 PolarHBondContact O-N 3Å; A137-K141 WeakPolarHBondContact O-CB 3.45Å; A137-K141 PolarHBondContact O-N 3.39Å
138	K	92.4	Very high	92.3	Very high	127 Å²	127	94.4 Å²	94.4	55%	0.552	47%	0.467	S	S	*	.	H	α-helix	trans	-64.2	-41.9	174	-73.6	175.9	-177.2	-178.4	0	112.4	D134 L135 K136 S142	D134-K138 WeakPolarHBondContact O-CG 3.34Å; D134-K138 PolarHBondContact O-N 3.01Å; L135-K138 PolarHBondContact O-N 2.94Å; K136-K138 VanDerWaalsContact C-N 3.33Å; K136-K138 PolarHBondContact O-N 3Å; K138-S142 WeakPolarHBondContact O-CB 3.35Å; K138-S142 PolarHBondContact O-N 3.48Å; K138-S142 PolarHBondContact O-OG 3.17Å
139	L	94.3	Very high	92.9	Very high	113 Å²	113	96 Å²	96	59%	0.592	47%	0.473	S	S	*	.	H	α-helix	trans	-66.3	-43	176.7	-72.2	172.9	0	0	0	111.2	L135 K136 K141 S142 L143	L135-L139 WeakPolarHBondContact O-CB 3.32Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.42Å; L135-L139 PolarHBondContact O-N 2.82Å; K136-L139 PolarHBondContact O-N 2.88Å; K136-L139 VanDerWaalsContact O-N 3.17Å; L139-K141 PolarHBondContact O-N 3.32Å; L139-S142 PolarHBondContact O-N 3.32Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 3.09Å
140	E	95.9	Very high	93.6	Very high	106 Å²	106	96 Å²	96	50%	0.495	47%	0.474	S	S	.	.	H	α-helix	trans	-60	-45.1	175.5	-75.2	172.7	170.5	0	0	111.5	K136 A137 S142 L143 E144	K136-E140 WeakPolarHBondContact CE-OE1 3.45Å; K136-E140 HydrophobicContact CG-CG 4.44Å; K136-E140 WeakPolarHBondContact O-CB 3.08Å; K136-E140 WeakPolarHBondContact O-CG 3.16Å; K136-E140 PolarHBondContact O-N 3.35Å; A137-E140 PolarHBondContact O-N 3Å; E140-S142 VanDerWaalsContact C-N 3.32Å; E140-S142 PolarHBondContact O-N 3.46Å; E140-L143 PolarHBondContact O-N 2.81Å; E140-E144 PolarHBondContact O-N 3.48Å
141	K	96.3	Very high	94.1	Very high	170 Å²	170	98.2 Å²	98.2	74%	0.739	48%	0.482	S	S	*	.	H	α-helix	trans	-61.2	-40.1	174.2	-171.5	-179.8	179.7	179.9	0	112.4	A137 L139 E144 H145	A137-K141 WeakPolarHBondContact O-CB 3.45Å; A137-K141 PolarHBondContact O-N 3.39Å; L139-K141 PolarHBondContact O-N 3.32Å; K141-E144 PolarHBondContact O-N 3.29Å; K141-H145 PolarHBondContact O-N 2.94Å; K141-H145 VanDerWaalsContact O-N 3.09Å
142	S	96	Very high	94.6	Very high	64 Å²	64	101.3 Å²	101.3	45%	0.448	50%	0.498	S	S	.	.	H	α-helix	trans	-68.8	-39.4	178.3	-55.4	0	0	0	0	111.5	K138 L139 E140 H145 L146	K138-S142 WeakPolarHBondContact O-CB 3.35Å; K138-S142 PolarHBondContact O-N 3.48Å; K138-S142 PolarHBondContact O-OG 3.17Å; L139-S142 PolarHBondContact O-N 3.32Å; E140-S142 VanDerWaalsContact C-N 3.32Å; E140-S142 PolarHBondContact O-N 3.46Å; S142-H145 PolarHBondContact O-N 2.95Å; S142-L146 WeakPolarHBondContact O-CG 3.45Å; S142-L146 PolarHBondContact O-N 3.41Å
143	L	97.4	Very high	95.1	Very high	87 Å²	87	101.8 Å²	101.8	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-42.7	174.1	-76.9	170.7	0	0	0	111.4	L139 E140 H145 L146 R147	L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 3.09Å; E140-L143 PolarHBondContact O-N 2.81Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-L146 PolarHBondContact O-N 3.49Å; L143-R147 WeakPolarHBondContact O-CB 3.43Å; L143-R147 VanDerWaalsContact O-CG 3.25Å; L143-R147 WeakPolarHBondContact O-CG 3.25Å; L143-R147 PolarHBondContact O-N 3.07Å
144	E	96.8	Very high	95.5	Very high	118 Å²	118	101.4 Å²	101.4	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-62.4	-42.7	176.4	-167.8	59.8	-156.5	0	0	111.6	E140 K141 R147 K148	E140-E144 PolarHBondContact O-N 3.48Å; K141-E144 PolarHBondContact O-N 3.29Å; E144-R147 PolarHBondContact O-N 2.79Å; E144-R147 IonicContact OE2-NH1 3.22Å; E144-K148 PolarHBondContact O-N 3.32Å
145	H	96.6	Very high	96	Very high	107 Å²	107	102.4 Å²	102.4	50%	0.495	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-47.7	174.6	179.1	60.7	0	0	0	112.5	K141 S142 L143 R147 K148 Q149	K141-H145 PolarHBondContact O-N 2.94Å; K141-H145 VanDerWaalsContact O-N 3.09Å; S142-H145 PolarHBondContact O-N 2.95Å; L143-H145 VanDerWaalsContact C-N 3.34Å; H145-R147 PolarHBondContact O-N 2.95Å; H145-K148 WeakPolarHBondContact O-CB 3.49Å; H145-K148 PolarHBondContact O-N 3.37Å; H145-Q149 PolarHBondContact NE2-NE2 3.24Å; H145-Q149 PolarHBondContact O-N 2.88Å
146	L	97.6	Very high	96.5	Very high	100 Å²	100	105.6 Å²	105.6	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-38.1	179.5	-71.3	173.5	0	0	0	112.1	S142 L143 K148 Q149 M150	S142-L146 WeakPolarHBondContact O-CG 3.45Å; S142-L146 PolarHBondContact O-N 3.41Å; L143-L146 PolarHBondContact O-N 3.49Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3.44Å; L146-Q149 PolarHBondContact O-N 2.96Å; L146-M150 WeakPolarHBondContact O-CB 3.25Å; L146-M150 PolarHBondContact O-N 3.11Å
147	R	97.7	Very high	96.8	Very high	135 Å²	135	105.1 Å²	105.1	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-42.4	173.7	-77	170.9	-179.8	161.2	0	111.6	L143 E144 H145 M150 Q151	L143-R147 WeakPolarHBondContact O-CB 3.43Å; L143-R147 VanDerWaalsContact O-CG 3.25Å; L143-R147 WeakPolarHBondContact O-CG 3.25Å; L143-R147 PolarHBondContact O-N 3.07Å; E144-R147 PolarHBondContact O-N 2.79Å; E144-R147 IonicContact OE2-NH1 3.22Å; H145-R147 PolarHBondContact O-N 2.95Å; R147-M150 PolarHBondContact O-N 3.33Å; R147-Q151 WeakPolarHBondContact O-CG 3.39Å; R147-Q151 PolarHBondContact O-N 3.46Å; R147-Q151 VanDerWaalsContact O-N 3.09Å
148	K	97.4	Very high	97	Very high	125 Å²	125	105.2 Å²	105.2	54%	0.543	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-46.9	174.7	-172.5	179.3	178	-178.9	0	111.7	E144 H145 L146 M150 Q151 D152	E144-K148 PolarHBondContact O-N 3.32Å; H145-K148 WeakPolarHBondContact O-CB 3.49Å; H145-K148 PolarHBondContact O-N 3.37Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3.44Å; K148-M150 VanDerWaalsContact C-N 3.27Å; K148-M150 PolarHBondContact O-N 3.38Å; K148-Q151 WeakPolarHBondContact O-CB 3.4Å; K148-Q151 PolarHBondContact O-N 2.89Å; K148-Q151 VanDerWaalsContact O-N 3.11Å; K148-D152 PolarHBondContact O-N 3.48Å
149	Q	97.8	Very high	97.2	Very high	98 Å²	98	103.5 Å²	103.5	46%	0.458	51%	0.514	S	S	.	.	H	α-helix	trans	-60	-37.5	176.5	-73.2	-170	-40.2	0	0	112.7	H145 L146 D152 A153	H145-Q149 PolarHBondContact NE2-NE2 3.24Å; H145-Q149 PolarHBondContact O-N 2.88Å; L146-Q149 PolarHBondContact O-N 2.96Å; Q149-D152 PolarHBondContact O-N 3.31Å; Q149-A153 WeakPolarHBondContact O-CB 3.48Å; Q149-A153 PolarHBondContact O-N 3.39Å
150	M	97.8	Very high	97.4	Very high	119 Å²	119	100.6 Å²	100.6	59%	0.586	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-40.3	175.3	-172.6	-179.6	68.4	0	0	111.8	L146 R147 K148 A153 L154	L146-M150 WeakPolarHBondContact O-CB 3.25Å; L146-M150 PolarHBondContact O-N 3.11Å; R147-M150 PolarHBondContact O-N 3.33Å; K148-M150 VanDerWaalsContact C-N 3.27Å; K148-M150 PolarHBondContact O-N 3.38Å; M150-A153 PolarHBondContact O-N 3.48Å; M150-L154 WeakPolarHBondContact O-CG 3.46Å; M150-L154 PolarHBondContact O-N 3.23Å
151	Q	97.8	Very high	97.5	Very high	130 Å²	130	99.9 Å²	99.9	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-64.1	-43.9	174.2	-71.2	174.4	-0.1	0	0	111.7	R147 K148 A153 L154 L155	R147-Q151 WeakPolarHBondContact O-CG 3.39Å; R147-Q151 PolarHBondContact O-N 3.46Å; R147-Q151 VanDerWaalsContact O-N 3.09Å; K148-Q151 WeakPolarHBondContact O-CB 3.4Å; K148-Q151 PolarHBondContact O-N 2.89Å; K148-Q151 VanDerWaalsContact O-N 3.11Å; Q151-A153 VanDerWaalsContact C-N 3.35Å; Q151-A153 PolarHBondContact O-N 3.45Å; Q151-L154 PolarHBondContact O-N 3.39Å; Q151-L155 PolarHBondContact O-N 3.04Å
152	D	98	Very high	97.6	Very high	65 Å²	65	97.8 Å²	97.8	35%	0.348	50%	0.499	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176.7	-66.4	-23.8	0	0	0	111.1	K148 Q149 L154 L155 F156	K148-D152 PolarHBondContact O-N 3.48Å; Q149-D152 PolarHBondContact O-N 3.31Å; D152-L154 PolarHBondContact O-N 3.09Å; D152-L155 WeakPolarHBondContact O-CB 3.39Å; D152-L155 PolarHBondContact O-N 3.06Å; D152-F156 HydrophobicContact CB-CE2 4.18Å; D152-F156 VanDerWaalsContact O-CD2 3.25Å; D152-F156 WeakPolarHBondContact O-CD2 3.45Å; D152-F156 VanDerWaalsContact O-CG 3.26Å; D152-F156 WeakPolarHBondContact O-CG 3.46Å; D152-F156 PolarHBondContact O-N 2.91Å
153	A	98	Very high	97.6	Very high	55 Å²	55	99 Å²	99	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-41.3	177	0	0	0	0	0	112.6	Q149 M150 Q151 L155 F156 Q157	Q149-A153 WeakPolarHBondContact O-CB 3.48Å; Q149-A153 PolarHBondContact O-N 3.39Å; M150-A153 PolarHBondContact O-N 3.48Å; Q151-A153 VanDerWaalsContact C-N 3.35Å; Q151-A153 PolarHBondContact O-N 3.45Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-F156 PolarHBondContact O-N 2.9Å; A153-Q157 WeakPolarHBondContact O-CB 3.32Å; A153-Q157 PolarHBondContact O-N 2.92Å
154	L	98.1	Very high	97.7	Very high	100 Å²	100	98.2 Å²	98.2	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-39.7	175.1	-72.6	169.4	0	0	0	111.8	M150 Q151 D152 Q157 A158	M150-L154 WeakPolarHBondContact O-CG 3.46Å; M150-L154 PolarHBondContact O-N 3.23Å; Q151-L154 PolarHBondContact O-N 3.39Å; D152-L154 PolarHBondContact O-N 3.09Å; L154-Q157 PolarHBondContact O-N 3.32Å; L154-A158 PolarHBondContact O-N 3.28Å
155	L	97.8	Very high	97.7	Very high	92 Å²	92	95.8 Å²	95.8	48%	0.482	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-47	175	178.7	63.9	0	0	0	111.3	Q151 D152 A153 Q157 A158 Q159	Q151-L155 PolarHBondContact O-N 3.04Å; D152-L155 WeakPolarHBondContact O-CB 3.39Å; D152-L155 PolarHBondContact O-N 3.06Å; A153-L155 VanDerWaalsContact C-N 3.34Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.22Å; L155-A158 PolarHBondContact O-N 2.72Å; L155-Q159 WeakPolarHBondContact O-CG 3.26Å; L155-Q159 PolarHBondContact O-N 3Å
156	F	97.8	Very high	97.8	Very high	127 Å²	127	95.3 Å²	95.3	56%	0.557	50%	0.498	S	S	*	.	H	α-helix	trans	-64.5	-36.5	178.1	-62.4	-32.4	0	0	0	112.5	D152 A153 Q159 A160	D152-F156 HydrophobicContact CB-CE2 4.18Å; D152-F156 VanDerWaalsContact O-CD2 3.25Å; D152-F156 WeakPolarHBondContact O-CD2 3.45Å; D152-F156 VanDerWaalsContact O-CG 3.26Å; D152-F156 WeakPolarHBondContact O-CG 3.46Å; D152-F156 PolarHBondContact O-N 2.91Å; A153-F156 PolarHBondContact O-N 2.9Å; F156-Q159 PolarHBondContact O-N 3.45Å; F156-A160 WeakPolarHBondContact O-CB 3.06Å; F156-A160 PolarHBondContact O-N 3.06Å
157	Q	97.9	Very high	97.8	Very high	116 Å²	116	98.1 Å²	98.1	54%	0.542	50%	0.502	S	S	.	.	H	α-helix	trans	-61.8	-47.7	173.9	-174.6	175.5	5.4	0	0	111.2	A153 L154 L155 Q159 A160 D161	A153-Q157 WeakPolarHBondContact O-CB 3.32Å; A153-Q157 PolarHBondContact O-N 2.92Å; L154-Q157 PolarHBondContact O-N 3.32Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.22Å; Q157-Q159 VanDerWaalsContact C-N 3.32Å; Q157-Q159 PolarHBondContact O-N 3Å; Q157-A160 PolarHBondContact O-N 2.73Å; Q157-D161 PolarHBondContact O-N 3.03Å
158	A	97.4	Very high	97.9	Very high	56 Å²	56	97.8 Å²	97.8	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-40.6	177.3	0	0	0	0	0	112.3	L154 L155 D161 E162	L154-A158 PolarHBondContact O-N 3.28Å; L155-A158 PolarHBondContact O-N 2.72Å; A158-D161 PolarHBondContact O-N 3.19Å; A158-E162 WeakPolarHBondContact O-CB 3.45Å; A158-E162 PolarHBondContact O-N 3.45Å
159	Q	97.6	Very high	97.9	Very high	91 Å²	91	98.4 Å²	98.4	43%	0.425	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-40.2	175.5	-72.5	175.5	-14.4	0	0	112.5	L155 F156 Q157 E162 T163	L155-Q159 WeakPolarHBondContact O-CG 3.26Å; L155-Q159 PolarHBondContact O-N 3Å; F156-Q159 PolarHBondContact O-N 3.45Å; Q157-Q159 VanDerWaalsContact C-N 3.32Å; Q157-Q159 PolarHBondContact O-N 3Å; Q159-E162 PolarHBondContact O-N 2.74Å; Q159-T163 WeakPolarHBondContact O-CB 3.3Å; Q159-T163 PolarHBondContact O-N 3.4Å; Q159-T163 PolarHBondContact O-OG1 2.99Å
160	A	97.3	Very high	98	Very high	51 Å²	51	98.4 Å²	98.4	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-65.4	-42.9	176.2	0	0	0	0	0	111.4	F156 Q157 T163 C164	F156-A160 WeakPolarHBondContact O-CB 3.06Å; F156-A160 PolarHBondContact O-N 3.06Å; Q157-A160 PolarHBondContact O-N 2.73Å; A160-T163 PolarHBondContact O-N 3.2Å; A160-C164 PolarHBondContact O-N 3.01Å; A160-C164 PolarHBondContact O-SG 2.87Å; A160-C164 VanDerWaalsContact O-SG 3.36Å
161	D	98	Very high	98	Very high	91 Å²	91	95.8 Å²	95.8	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-44.1	176.5	-71.2	-23.2	0	0	0	111.2	Q157 A158 T163 C164 V165	Q157-D161 PolarHBondContact O-N 3.03Å; A158-D161 PolarHBondContact O-N 3.19Å; D161-T163 PolarHBondContact O-N 3.28Å; D161-C164 WeakPolarHBondContact O-CB 3.28Å; D161-C164 PolarHBondContact O-N 3.23Å; D161-V165 WeakPolarHBondContact O-CG2 3.38Å; D161-V165 PolarHBondContact O-N 2.65Å; D161-V165 VanDerWaalsContact O-N 3.07Å
162	E	98	Very high	98	Very high	127 Å²	127	94 Å²	94	59%	0.593	49%	0.492	S	S	*	.	H	α-helix	trans	-61	-44	174.6	-174.9	175.4	-167.6	0	0	111.7	A158 Q159 C164 V165 L166	A158-E162 WeakPolarHBondContact O-CB 3.45Å; A158-E162 PolarHBondContact O-N 3.45Å; Q159-E162 PolarHBondContact O-N 2.74Å; E162-C164 VanDerWaalsContact C-N 3.34Å; E162-C164 PolarHBondContact O-N 2.91Å; E162-V165 PolarHBondContact O-N 2.91Å; E162-L166 HydrophobicContact CG-CD1 4.34Å; E162-L166 WeakPolarHBondContact O-CG 3.12Å; E162-L166 PolarHBondContact O-N 3.33Å
163	T	97.8	Very high	98.1	Very high	89 Å²	89	93.4 Å²	93.4	55%	0.546	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-40.9	177.6	-55.9	0	0	0	0	111.6	Q159 A160 D161 V165 L166 W167	Q159-T163 WeakPolarHBondContact O-CB 3.3Å; Q159-T163 PolarHBondContact O-N 3.4Å; Q159-T163 PolarHBondContact O-OG1 2.99Å; A160-T163 PolarHBondContact O-N 3.2Å; D161-T163 PolarHBondContact O-N 3.28Å; T163-V165 PolarHBondContact O-N 3.04Å; T163-L166 PolarHBondContact O-N 3.45Å; T163-W167 WeakPolarHBondContact O-CB 3.2Å; T163-W167 PolarHBondContact O-N 3.45Å
164	C	98.1	Very high	98.1	Very high	71 Å²	71	95.9 Å²	95.9	48%	0.48	50%	0.496	S	S	.	.	H	α-helix	trans	-59.5	-45.5	174.3	-76.1	0	0	0	0	111.7	A160 D161 E162 W167 Q168	A160-C164 PolarHBondContact O-N 3.01Å; A160-C164 PolarHBondContact O-SG 2.87Å; A160-C164 VanDerWaalsContact O-SG 3.36Å; D161-C164 WeakPolarHBondContact O-CB 3.28Å; D161-C164 PolarHBondContact O-N 3.23Å; E162-C164 VanDerWaalsContact C-N 3.34Å; E162-C164 PolarHBondContact O-N 2.91Å; C164-W167 PolarHBondContact O-N 3.24Å; C164-Q168 WeakPolarHBondContact O-CB 3.39Å; C164-Q168 VanDerWaalsContact O-CG 3.29Å; C164-Q168 WeakPolarHBondContact O-CG 3.45Å; C164-Q168 PolarHBondContact O-N 3.17Å
165	V	98.3	Very high	98.1	Very high	66 Å²	66	98.4 Å²	98.4	40%	0.4	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-41.6	177.8	172.1	0	0	0	0	111.3	D161 E162 T163 Q168 K169	D161-V165 WeakPolarHBondContact O-CG2 3.38Å; D161-V165 PolarHBondContact O-N 2.65Å; D161-V165 VanDerWaalsContact O-N 3.07Å; E162-V165 PolarHBondContact O-N 2.91Å; T163-V165 PolarHBondContact O-N 3.04Å; V165-Q168 PolarHBondContact O-N 3.39Å; V165-K169 HydrophobicContact CG1-CD 4.38Å; V165-K169 WeakPolarHBondContact O-CG 3.45Å; V165-K169 PolarHBondContact O-N 3.49Å
166	L	98.3	Very high	98.1	Very high	97 Å²	97	99.6 Å²	99.6	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-45.2	176.3	-71.8	172.6	0	0	0	111.8	E162 T163 Q168 K169 M170	E162-L166 HydrophobicContact CG-CD1 4.34Å; E162-L166 WeakPolarHBondContact O-CG 3.12Å; E162-L166 PolarHBondContact O-N 3.33Å; T163-L166 PolarHBondContact O-N 3.45Å; L166-Q168 PolarHBondContact O-N 3.24Å; L166-K169 PolarHBondContact O-N 2.95Å; L166-M170 PolarHBondContact O-N 2.99Å
167	W	98	Very high	98.2	Very high	159 Å²	159	97.4 Å²	97.4	60%	0.602	50%	0.495	S	S	*	.	H	α-helix	trans	-60.7	-45.3	176.4	178.4	-105.5	0	0	0	111.8	T163 C164 K169 M170 V171	T163-W167 WeakPolarHBondContact O-CB 3.2Å; T163-W167 PolarHBondContact O-N 3.45Å; C164-W167 PolarHBondContact O-N 3.24Å; W167-K169 VanDerWaalsContact C-N 3.33Å; W167-K169 PolarHBondContact O-N 2.86Å; W167-M170 HydrophobicContact CD2-CE 4.46Å; W167-M170 HydrophobicContact CE3-CE 3.33Å; W167-M170 HydrophobicContact CH2-CE 4.16Å; W167-M170 HydrophobicContact CZ3-CE 3.14Å; W167-M170 PolarHBondContact O-N 2.68Å; W167-M170 VanDerWaalsContact O-N 3.14Å; W167-V171 HydrophobicContact CD2-CG2 4.24Å; W167-V171 HydrophobicContact CZ2-CG2 3.91Å; W167-V171 WeakPolarHBondContact O-CG2 3.06Å; W167-V171 PolarHBondContact O-N 2.76Å
168	Q	98.4	Very high	98.2	Very high	128 Å²	128	95.6 Å²	95.6	60%	0.598	49%	0.492	S	S	*	.	H	α-helix	trans	-57.8	-44.7	175.9	-75.2	173.3	-5.3	0	0	111.9	C164 V165 L166 M170 V171 E172	C164-Q168 WeakPolarHBondContact O-CB 3.39Å; C164-Q168 VanDerWaalsContact O-CG 3.29Å; C164-Q168 WeakPolarHBondContact O-CG 3.45Å; C164-Q168 PolarHBondContact O-N 3.17Å; V165-Q168 PolarHBondContact O-N 3.39Å; L166-Q168 PolarHBondContact O-N 3.24Å; Q168-M170 VanDerWaalsContact C-N 3.34Å; Q168-M170 PolarHBondContact O-N 2.83Å; Q168-V171 PolarHBondContact O-N 2.85Å; Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 PolarHBondContact O-N 3.37Å
169	K	98.4	Very high	98.2	Very high	138 Å²	138	98.2 Å²	98.2	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-61.5	-41.1	175.4	-73.2	174.2	-179.2	175.9	0	112.1	V165 L166 W167 E172 S173	V165-K169 HydrophobicContact CG1-CD 4.38Å; V165-K169 WeakPolarHBondContact O-CG 3.45Å; V165-K169 PolarHBondContact O-N 3.49Å; L166-K169 PolarHBondContact O-N 2.95Å; W167-K169 VanDerWaalsContact C-N 3.33Å; W167-K169 PolarHBondContact O-N 2.86Å; K169-E172 PolarHBondContact O-N 2.78Å; K169-S173 WeakPolarHBondContact O-CB 3.27Å; K169-S173 PolarHBondContact O-N 2.76Å
170	M	98.4	Very high	98.3	Very high	98 Å²	98	95.5 Å²	95.5	48%	0.483	49%	0.494	S	S	.	.	H	α-helix	trans	-66	-43.4	178.8	-170.5	166.4	68.4	0	0	111.6	L166 W167 Q168 S173 Q174	L166-M170 PolarHBondContact O-N 2.99Å; W167-M170 HydrophobicContact CD2-CE 4.46Å; W167-M170 HydrophobicContact CE3-CE 3.33Å; W167-M170 HydrophobicContact CH2-CE 4.16Å; W167-M170 HydrophobicContact CZ3-CE 3.14Å; W167-M170 PolarHBondContact O-N 2.68Å; W167-M170 VanDerWaalsContact O-N 3.14Å; Q168-M170 VanDerWaalsContact C-N 3.34Å; Q168-M170 PolarHBondContact O-N 2.83Å; M170-S173 PolarHBondContact O-N 3.16Å; M170-Q174 WeakPolarHBondContact O-CG 3.47Å; M170-Q174 PolarHBondContact O-N 2.98Å
171	V	98.6	Very high	98.3	Very high	65 Å²	65	97.8 Å²	97.8	39%	0.394	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-43	175.4	172.2	0	0	0	0	111.2	W167 Q168 Q174 R175	W167-V171 HydrophobicContact CD2-CG2 4.24Å; W167-V171 HydrophobicContact CZ2-CG2 3.91Å; W167-V171 WeakPolarHBondContact O-CG2 3.06Å; W167-V171 PolarHBondContact O-N 2.76Å; Q168-V171 PolarHBondContact O-N 2.85Å; V171-Q174 PolarHBondContact O-N 2.91Å; V171-R175 WeakPolarHBondContact O-CB 3.39Å; V171-R175 PolarHBondContact O-N 3.11Å
172	E	98.5	Very high	98.3	Very high	91 Å²	91	99.3 Å²	99.3	43%	0.425	50%	0.498	S	S	.	.	H	α-helix	trans	-65.9	-40.6	178.6	-172.3	55.1	-148.6	0	0	112	Q168 K169 Q174 R175 Q176	Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 PolarHBondContact O-N 3.37Å; K169-E172 PolarHBondContact O-N 2.78Å; E172-Q174 PolarHBondContact O-N 2.7Å; E172-R175 WeakPolarHBondContact O-CB 3.44Å; E172-R175 PolarHBondContact O-N 3.43Å; E172-Q176 WeakPolarHBondContact O-CG 3.34Å; E172-Q176 PolarHBondContact O-N 2.74Å
173	S	98.5	Very high	98.3	Very high	54 Å²	54	99 Å²	99	38%	0.378	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-43.8	172.6	176.2	0	0	0	0	111.8	K169 M170 R175 Q176 N177	K169-S173 WeakPolarHBondContact O-CB 3.27Å; K169-S173 PolarHBondContact O-N 2.76Å; M170-S173 PolarHBondContact O-N 3.16Å; S173-R175 VanDerWaalsContact C-N 3.33Å; S173-R175 PolarHBondContact O-N 2.95Å; S173-Q176 PolarHBondContact O-N 2.66Å; S173-N177 VanDerWaalsContact O-CG 3.23Å; S173-N177 PolarHBondContact O-N 2.83Å; S173-N177 PolarHBondContact O-ND2 2.88Å; S173-N177 PolarHBondContact O-OD1 3.43Å
174	Q	98.4	Very high	98.3	Very high	107 Å²	107	101 Å²	101	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-65.3	-36.7	175.5	-69.5	-56.4	-42.9	0	0	112.2	M170 V171 E172 Q176 N177 V178	M170-Q174 WeakPolarHBondContact O-CG 3.47Å; M170-Q174 PolarHBondContact O-N 2.98Å; V171-Q174 PolarHBondContact O-N 2.91Å; E172-Q174 PolarHBondContact O-N 2.7Å; Q174-Q176 VanDerWaalsContact C-N 3.33Å; Q174-Q176 PolarHBondContact O-N 2.66Å; Q174-N177 PolarHBondContact O-N 3Å; Q174-V178 WeakPolarHBondContact O-CG2 3.38Å; Q174-V178 PolarHBondContact O-N 3.5Å
175	R	98.6	Very high	98.1	Very high	152 Å²	152	102 Å²	102	57%	0.574	50%	0.495	S	S	*	.	H	α-helix	trans	-58.2	-46.9	173.5	-167.5	-173.6	-157.2	97.2	4.9	110.9	V171 E172 S173 V178 L179	V171-R175 WeakPolarHBondContact O-CB 3.39Å; V171-R175 PolarHBondContact O-N 3.11Å; E172-R175 WeakPolarHBondContact O-CB 3.44Å; E172-R175 PolarHBondContact O-N 3.43Å; S173-R175 VanDerWaalsContact C-N 3.33Å; S173-R175 PolarHBondContact O-N 2.95Å; R175-V178 PolarHBondContact O-N 2.73Å; R175-L179 HydrophobicContact CG-CD1 4.41Å; R175-L179 WeakPolarHBondContact O-CG 3.39Å; R175-L179 PolarHBondContact O-N 2.91Å
176	Q	98.4	Very high	98	Very high	117 Å²	117	107.6 Å²	107.6	55%	0.547	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-42.1	177.5	-69.7	174.2	-3.1	0	0	112	E172 S173 Q174 V178 L179 G180	E172-Q176 WeakPolarHBondContact O-CG 3.34Å; E172-Q176 PolarHBondContact O-N 2.74Å; S173-Q176 PolarHBondContact O-N 2.66Å; Q174-Q176 VanDerWaalsContact C-N 3.33Å; Q174-Q176 PolarHBondContact O-N 2.66Å; Q176-V178 PolarHBondContact O-N 2.76Å; Q176-L179 PolarHBondContact O-N 3.44Å; Q176-G180 PolarHBondContact O-N 3.32Å
177	N	98.4	Very high	98	Very high	81 Å²	81	110.1 Å²	110.1	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-45.6	176.3	-67.1	-19.4	0	0	0	111.7	S173 Q174 G180 E181	S173-N177 VanDerWaalsContact O-CG 3.23Å; S173-N177 PolarHBondContact O-N 2.83Å; S173-N177 PolarHBondContact O-ND2 2.88Å; S173-N177 PolarHBondContact O-OD1 3.43Å; Q174-N177 PolarHBondContact O-N 3Å; N177-G180 PolarHBondContact O-N 3.49Å; N177-E181 WeakPolarHBondContact O-CB 3.27Å; N177-E181 WeakPolarHBondContact O-CG 3.49Å; N177-E181 PolarHBondContact O-N 3.17Å
178	V	98.4	Very high	97.9	Very high	79 Å²	79	106.7 Å²	106.7	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-59.9	-49.8	176.7	171.2	0	0	0	0	110.3	Q174 R175 Q176 G180 E181 F182	Q174-V178 WeakPolarHBondContact O-CG2 3.38Å; Q174-V178 PolarHBondContact O-N 3.5Å; R175-V178 PolarHBondContact O-N 2.73Å; Q176-V178 PolarHBondContact O-N 2.76Å; V178-G180 PolarHBondContact O-N 2.85Å; V178-E181 PolarHBondContact O-N 2.83Å; V178-F182 HydrophobicContact CG1-CD2 4.04Å; V178-F182 HydrophobicContact CG1-CE2 4.13Å; V178-F182 VanDerWaalsContact O-CD2 3.29Å; V178-F182 WeakPolarHBondContact O-CD2 3.39Å; V178-F182 PolarHBondContact O-N 2.75Å; V178-F182 VanDerWaalsContact O-N 3.15Å
179	L	98.4	Very high	97.7	Very high	110 Å²	110	103.6 Å²	103.6	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-60.6	-45	179.4	-68.5	173.2	0	0	0	111.9	R175 Q176 F182 E183	R175-L179 HydrophobicContact CG-CD1 4.41Å; R175-L179 WeakPolarHBondContact O-CG 3.39Å; R175-L179 PolarHBondContact O-N 2.91Å; Q176-L179 PolarHBondContact O-N 3.44Å; L179-F182 PolarHBondContact O-N 3.3Å; L179-E183 WeakPolarHBondContact O-CB 3.37Å; L179-E183 PolarHBondContact O-N 2.74Å
180	G	98.4	Very high	97.7	Very high	34 Å²	34	99.4 Å²	99.4	35%	0.351	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-41.8	179.8	0	0	0	0	0	113.5	Q176 N177 V178 E183 R184	Q176-G180 PolarHBondContact O-N 3.32Å; N177-G180 PolarHBondContact O-N 3.49Å; V178-G180 PolarHBondContact O-N 2.85Å; G180-E183 PolarHBondContact O-N 3.36Å; G180-R184 WeakPolarHBondContact O-CB 3.08Å; G180-R184 PolarHBondContact O-N 2.94Å
181	E	98	Very high	97.6	Very high	100 Å²	100	99.5 Å²	99.5	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-66.6	-41.3	177.6	-76.8	-60.1	135.3	0	0	112.4	N177 V178 R184 L185	N177-E181 WeakPolarHBondContact O-CB 3.27Å; N177-E181 WeakPolarHBondContact O-CG 3.49Å; N177-E181 PolarHBondContact O-N 3.17Å; V178-E181 PolarHBondContact O-N 2.83Å; E181-R184 PolarHBondContact O-N 3.48Å; E181-R184 IonicContact OE1-CZ 2.69Å; E181-R184 IonicContact OE1-NE 3.91Å; E181-R184 IonicContact OE1-NH2 2.65Å; E181-R184 PolarHBondContact OE1-NH2 3.49Å; E181-R184 IonicContact OE2-CZ 3.5Å; E181-R184 VanDerWaalsContact OE2-CZ 3.31Å; E181-R184 IonicContact OE2-NE 3.47Å; E181-R184 PolarHBondContact OE2-NE 2.91Å; E181-R184 IonicContact OE2-NH2 2.87Å; E181-R184 PolarHBondContact OE2-NH2 2.96Å; E181-L185 PolarHBondContact O-N 3.19Å
182	F	97.4	Very high	97.4	Very high	122 Å²	122	99.8 Å²	99.8	54%	0.535	48%	0.479	S	S	.	.	H	α-helix	trans	-68.2	-38.2	176.1	-87.2	-95.3	0	0	0	112.3	V178 L179 L185 R186	V178-F182 HydrophobicContact CG1-CD2 4.04Å; V178-F182 HydrophobicContact CG1-CE2 4.13Å; V178-F182 VanDerWaalsContact O-CD2 3.29Å; V178-F182 WeakPolarHBondContact O-CD2 3.39Å; V178-F182 PolarHBondContact O-N 2.75Å; V178-F182 VanDerWaalsContact O-N 3.15Å; L179-F182 PolarHBondContact O-N 3.3Å; F182-L185 PolarHBondContact O-N 3.43Å; F182-R186 VanDerWaalsContact O-CG 3.3Å; F182-R186 WeakPolarHBondContact O-CG 3.5Å; F182-R186 PolarHBondContact O-N 3.39Å
183	E	97.9	Very high	97.2	Very high	122 Å²	122	101.3 Å²	101.3	57%	0.57	49%	0.487	S	S	*	.	H	α-helix	trans	-65.7	-39.9	174.3	-176.3	171.5	-158.3	0	0	111.8	L179 G180 R186 R187	L179-E183 WeakPolarHBondContact O-CB 3.37Å; L179-E183 PolarHBondContact O-N 2.74Å; G180-E183 PolarHBondContact O-N 3.36Å; E183-R186 PolarHBondContact O-N 3.48Å; E183-R187 PolarHBondContact O-N 3.28Å
184	R	97.4	Very high	97.2	Very high	130 Å²	130	105.1 Å²	105.1	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-59.1	-48.6	172.2	-174.7	175.1	73.6	151.1	0.6	111.3	G180 E181 R186 R187 L188	G180-R184 WeakPolarHBondContact O-CB 3.08Å; G180-R184 PolarHBondContact O-N 2.94Å; E181-R184 PolarHBondContact O-N 3.48Å; E181-R184 IonicContact OE1-CZ 2.69Å; E181-R184 IonicContact OE1-NE 3.91Å; E181-R184 IonicContact OE1-NH2 2.65Å; E181-R184 PolarHBondContact OE1-NH2 3.49Å; E181-R184 IonicContact OE2-CZ 3.5Å; E181-R184 VanDerWaalsContact OE2-CZ 3.31Å; E181-R184 IonicContact OE2-NE 3.47Å; E181-R184 PolarHBondContact OE2-NE 2.91Å; E181-R184 IonicContact OE2-NH2 2.87Å; E181-R184 PolarHBondContact OE2-NH2 2.96Å; R184-R186 PolarHBondContact O-N 3.47Å; R184-R187 PolarHBondContact O-N 3.35Å; R184-L188 HydrophobicContact CG-CD1 4.37Å; R184-L188 WeakPolarHBondContact O-CG 3.4Å; R184-L188 PolarHBondContact O-N 2.96Å; R184-L188 VanDerWaalsContact O-N 3.07Å
185	L	95.5	Very high	97.1	Very high	91 Å²	91	104 Å²	104	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-62.5	-42.1	178.3	-178.5	61.6	0	0	0	112.1	E181 F182 R187 L188 L189	E181-L185 PolarHBondContact O-N 3.19Å; F182-L185 PolarHBondContact O-N 3.43Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 2.96Å; L185-L188 PolarHBondContact O-N 2.75Å; L185-L189 HydrophobicContact CD1-CD1 4.32Å; L185-L189 HydrophobicContact CD1-CG 4.22Å; L185-L189 HydrophobicContact CG-CD1 4.05Å; L185-L189 HydrophobicContact CG-CG 4.39Å; L185-L189 WeakPolarHBondContact O-CB 3.46Å; L185-L189 WeakPolarHBondContact O-CG 3.39Å; L185-L189 PolarHBondContact O-N 2.91Å
186	R	95.9	Very high	96.9	Very high	185 Å²	185	97.7 Å²	97.7	70%	0.698	47%	0.471	S	S	*	.	H	α-helix	trans	-59.1	-42.6	176.1	-75.7	174.6	-174.8	176.8	2.2	112.2	F182 E183 R184 L189 A190	F182-R186 VanDerWaalsContact O-CG 3.3Å; F182-R186 WeakPolarHBondContact O-CG 3.5Å; F182-R186 PolarHBondContact O-N 3.39Å; E183-R186 PolarHBondContact O-N 3.48Å; R184-R186 PolarHBondContact O-N 3.47Å; R186-L189 PolarHBondContact O-N 3.47Å; R186-A190 WeakPolarHBondContact O-CB 3.34Å; R186-A190 PolarHBondContact O-N 2.81Å
187	R	97.3	Very high	96.7	Very high	149 Å²	149	97 Å²	97	56%	0.562	47%	0.47	S	S	*	.	H	α-helix	trans	-62.7	-48.2	175.7	-76.7	-172.7	-70.5	161.6	-4.3	112	E183 R184 L185 L189 A190 E191	E183-R187 PolarHBondContact O-N 3.28Å; R184-R187 PolarHBondContact O-N 3.35Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 2.96Å; R187-L189 VanDerWaalsContact C-N 3.3Å; R187-L189 PolarHBondContact O-N 2.9Å; R187-A190 PolarHBondContact O-N 2.96Å; R187-E191 WeakPolarHBondContact O-CG 3.48Å; R187-E191 PolarHBondContact O-N 2.92Å
188	L	96.1	Very high	96.7	Very high	87 Å²	87	97.8 Å²	97.8	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-59	-42.1	177.3	-68	172.4	0	0	0	111.9	R184 L185 E191 E192	R184-L188 HydrophobicContact CG-CD1 4.37Å; R184-L188 WeakPolarHBondContact O-CG 3.4Å; R184-L188 PolarHBondContact O-N 2.96Å; R184-L188 VanDerWaalsContact O-N 3.07Å; L185-L188 PolarHBondContact O-N 2.75Å; L188-E191 PolarHBondContact O-N 3.07Å; L188-E192 WeakPolarHBondContact O-CG 3.2Å; L188-E192 PolarHBondContact O-N 2.91Å
189	L	95.5	Very high	96.5	Very high	63 Å²	63	98.6 Å²	98.6	33%	0.33	47%	0.466	S	S	.	.	H	α-helix	trans	-65.7	-38.8	177.1	-71.1	174.3	0	0	0	112.6	L185 R186 R187 E192 E193 V275	L185-L189 HydrophobicContact CD1-CD1 4.32Å; L185-L189 HydrophobicContact CD1-CG 4.22Å; L185-L189 HydrophobicContact CG-CD1 4.05Å; L185-L189 HydrophobicContact CG-CG 4.39Å; L185-L189 WeakPolarHBondContact O-CB 3.46Å; L185-L189 WeakPolarHBondContact O-CG 3.39Å; L185-L189 PolarHBondContact O-N 2.91Å; R186-L189 PolarHBondContact O-N 3.47Å; R187-L189 VanDerWaalsContact C-N 3.3Å; R187-L189 PolarHBondContact O-N 2.9Å; L189-E192 PolarHBondContact O-N 2.78Å; L189-E193 WeakPolarHBondContact O-CB 3.43Å; L189-E193 PolarHBondContact O-N 3.04Å; L189-V275 HydrophobicContact CD2-CG1 3.95Å
190	A	96.6	Very high	96.3	Very high	51 Å²	51	96.5 Å²	96.5	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-66.9	-37.7	175.7	0	0	0	0	0	112.2	R186 R187 E193 Q194	R186-A190 WeakPolarHBondContact O-CB 3.34Å; R186-A190 PolarHBondContact O-N 2.81Å; R187-A190 PolarHBondContact O-N 2.96Å; A190-E193 PolarHBondContact O-N 2.93Å; A190-Q194 WeakPolarHBondContact O-CB 3.39Å; A190-Q194 PolarHBondContact O-N 2.81Å
191	E	96.4	Very high	96.1	Very high	100 Å²	100	100.7 Å²	100.7	47%	0.467	47%	0.465	S	S	.	.	H	α-helix	trans	-63.6	-45.6	173.7	-71.7	168.1	-165	0	0	111.2	R187 L188 Q194 Q195	R187-E191 WeakPolarHBondContact O-CG 3.48Å; R187-E191 PolarHBondContact O-N 2.92Å; L188-E191 PolarHBondContact O-N 3.07Å; E191-Q194 PolarHBondContact O-N 2.98Å; E191-Q195 VanDerWaalsContact O-CG 3.3Å; E191-Q195 WeakPolarHBondContact O-CG 3.41Å; E191-Q195 PolarHBondContact O-N 3.12Å
192	E	94.9	Very high	96	Very high	71 Å²	71	100.8 Å²	100.8	33%	0.332	47%	0.466	S	S	.	.	H	α-helix	trans	-63.4	-41.1	175.6	-72.3	-66.9	154.8	0	0	112.5	L188 L189 Q195 L196 P276	L188-E192 WeakPolarHBondContact O-CG 3.2Å; L188-E192 PolarHBondContact O-N 2.91Å; L189-E192 PolarHBondContact O-N 2.78Å; E192-Q195 PolarHBondContact O-N 3.2Å; E192-L196 WeakPolarHBondContact O-CB 3.45Å; E192-L196 WeakPolarHBondContact O-CG 3.43Å; E192-L196 PolarHBondContact O-N 3.06Å; E192-P276 HydrophobicContact CG-CG 4.45Å
193	E	95.6	Very high	95.8	Very high	123 Å²	123	95.7 Å²	95.7	58%	0.575	44%	0.443	S	S	*	.	H	α-helix	trans	-57.4	-51.1	173.8	178.6	-177.5	177.8	0	0	110.8	L189 A190 Q195 L196 L197	L189-E193 WeakPolarHBondContact O-CB 3.43Å; L189-E193 PolarHBondContact O-N 3.04Å; A190-E193 PolarHBondContact O-N 2.93Å; E193-Q195 VanDerWaalsContact C-N 3.34Å; E193-Q195 PolarHBondContact O-N 2.55Å; E193-L196 PolarHBondContact O-N 3.42Å; E193-L197 HydrophobicContact CG-CD1 4.13Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 2.88Å
194	Q	97.1	Very high	95.5	Very high	133 Å²	133	95.7 Å²	95.7	62%	0.621	44%	0.443	S	S	*	.	H	α-helix	trans	-61.5	-42.4	179.9	-174.2	177.8	1.4	0	0	112	A190 E191 L196 L197 Q198	A190-Q194 WeakPolarHBondContact O-CB 3.39Å; A190-Q194 PolarHBondContact O-N 2.81Å; E191-Q194 PolarHBondContact O-N 2.98Å; Q194-L196 PolarHBondContact O-N 3.39Å; Q194-L197 PolarHBondContact O-N 2.68Å; Q194-Q198 WeakPolarHBondContact O-CB 3.05Å; Q194-Q198 PolarHBondContact O-N 3.41Å
195	Q	96.1	Very high	95.4	Very high	84 Å²	84	95.2 Å²	95.2	39%	0.393	45%	0.45	S	S	.	.	H	α-helix	trans	-63.3	-40.7	177.1	-73.2	177.4	20.3	0	0	112.4	E191 E192 E193 R199	E191-Q195 VanDerWaalsContact O-CG 3.3Å; E191-Q195 WeakPolarHBondContact O-CG 3.41Å; E191-Q195 PolarHBondContact O-N 3.12Å; E192-Q195 PolarHBondContact O-N 3.2Å; E193-Q195 VanDerWaalsContact C-N 3.34Å; E193-Q195 PolarHBondContact O-N 2.55Å; Q195-R199 WeakPolarHBondContact O-CG 3.44Å; Q195-R199 PolarHBondContact O-N 2.88Å; Q195-R199 VanDerWaalsContact O-N 3.08Å
196	L	94.4	Very high	95.2	Very high	20 Å²	20	95.1 Å²	95.1	11%	0.105	45%	0.447	C	S	.	.	H	α-helix	trans	-63.8	-44.6	176.6	-78.8	166.2	0	0	0	111.6	E192 E193 Q194 R199 L200 T271 V272	E192-L196 WeakPolarHBondContact O-CB 3.45Å; E192-L196 WeakPolarHBondContact O-CG 3.43Å; E192-L196 PolarHBondContact O-N 3.06Å; E193-L196 PolarHBondContact O-N 3.42Å; Q194-L196 PolarHBondContact O-N 3.39Å; L196-R199 PolarHBondContact O-N 2.92Å; L196-L200 WeakPolarHBondContact O-CG 3.38Å; L196-L200 PolarHBondContact O-N 3.08Å; L196-L200 VanDerWaalsContact O-N 3.17Å; L196-T271 HydrophobicContact CD2-CG2 3.81Å; L196-V272 WeakPolarHBondContact CD2-O 3.45Å
197	L	95.9	Very high	94.9	Very high	101 Å²	101	88 Å²	88	53%	0.529	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-43	177.9	-69	174.8	0	0	0	111.7	E193 Q194 R199 L200 E201	E193-L197 HydrophobicContact CG-CD1 4.13Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 2.88Å; Q194-L197 PolarHBondContact O-N 2.68Å; L197-R199 PolarHBondContact O-N 3.26Å; L197-L200 PolarHBondContact O-N 2.8Å; L197-E201 PolarHBondContact O-N 2.86Å
198	Q	97.1	Very high	94.7	Very high	99 Å²	99	83.4 Å²	83.4	46%	0.463	41%	0.41	S	S	.	.	H	α-helix	trans	-61	-44.4	177.3	-175.7	-177.7	-10.9	0	0	111.7	Q194 L200 E201 E202	Q194-Q198 WeakPolarHBondContact O-CB 3.05Å; Q194-Q198 PolarHBondContact O-N 3.41Å; Q198-L200 VanDerWaalsContact C-N 3.29Å; Q198-L200 PolarHBondContact O-N 2.95Å; Q198-E201 PolarHBondContact O-N 3.1Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.49Å; Q198-E202 PolarHBondContact NE2-OE1 2.84Å; Q198-E202 WeakPolarHBondContact O-CG 3.48Å; Q198-E202 PolarHBondContact O-N 2.71Å
199	R	94.9	Very high	94.5	Very high	95 Å²	95	82.4 Å²	82.4	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-35.8	177.2	-71.2	-171	-68.2	-104	4.2	112.7	Q195 L196 L197 E203 T271	Q195-R199 WeakPolarHBondContact O-CG 3.44Å; Q195-R199 PolarHBondContact O-N 2.88Å; Q195-R199 VanDerWaalsContact O-N 3.08Å; L196-R199 PolarHBondContact O-N 2.92Å; L197-R199 PolarHBondContact O-N 3.26Å; R199-E203 WeakPolarHBondContact O-CG 3.36Å; R199-E203 PolarHBondContact O-N 3.05Å; R199-T271 HydrophobicContact CB-CG2 4.04Å; R199-T271 VanDerWaalsContact CB-OG1 3.24Å; R199-T271 WeakPolarHBondContact CB-OG1 3.48Å
200	L	93.4	Very high	94.3	Very high	66 Å²	66	83.8 Å²	83.8	35%	0.346	41%	0.41	S	S	.	.	H	α-helix	trans	-66.7	-41.1	174.7	-73.7	169	0	0	0	111.9	L196 L197 Q198 E203 E204 L269 T271	L196-L200 WeakPolarHBondContact O-CG 3.38Å; L196-L200 PolarHBondContact O-N 3.08Å; L196-L200 VanDerWaalsContact O-N 3.17Å; L197-L200 PolarHBondContact O-N 2.8Å; Q198-L200 VanDerWaalsContact C-N 3.29Å; Q198-L200 PolarHBondContact O-N 2.95Å; L200-E203 PolarHBondContact O-N 2.96Å; L200-E204 PolarHBondContact O-N 2.83Å; L200-L269 HydrophobicContact CD2-CD1 4.28Å; L200-L269 HydrophobicContact CD2-CD2 4.48Å; L200-T271 HydrophobicContact CD2-CG2 4.09Å; L200-T271 HydrophobicContact CG-CG2 3.9Å
201	E	95.6	Very high	94	Very high	122 Å²	122	84.3 Å²	84.3	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-62.9	-42.9	175.5	-174.3	175.2	-169.1	0	0	111.3	L197 Q198 E203 E204 L205	L197-E201 PolarHBondContact O-N 2.86Å; Q198-E201 PolarHBondContact O-N 3.1Å; E201-E203 PolarHBondContact O-N 3.35Å; E201-E204 PolarHBondContact O-N 2.83Å; E201-L205 HydrophobicContact CG-CD1 4.21Å; E201-L205 WeakPolarHBondContact O-CB 3.46Å; E201-L205 VanDerWaalsContact O-CG 3.28Å; E201-L205 WeakPolarHBondContact O-CG 3.48Å; E201-L205 PolarHBondContact O-N 2.81Å
202	E	95.1	Very high	93.8	Very high	103 Å²	103	87.4 Å²	87.4	48%	0.481	41%	0.413	S	S	.	.	H	α-helix	trans	-60.8	-43	174.6	-71.3	169.3	-173.8	0	0	112	Q198 L205 E206	Q198-E202 WeakPolarHBondContact CG-OE1 3.49Å; Q198-E202 PolarHBondContact NE2-OE1 2.84Å; Q198-E202 WeakPolarHBondContact O-CG 3.48Å; Q198-E202 PolarHBondContact O-N 2.71Å; E202-L205 PolarHBondContact O-N 3.14Å; E202-E206 PolarHBondContact O-N 3.19Å
203	E	92.6	Very high	93.7	Very high	14 Å²	14	89.3 Å²	89.3	7%	0.065	42%	0.422	C	S	.	.	H	α-helix	trans	-64.2	-42	175.1	-77.7	178	-144.1	0	0	112.6	R199 L200 E201 E206 V207 R270 T271	R199-E203 WeakPolarHBondContact O-CG 3.36Å; R199-E203 PolarHBondContact O-N 3.05Å; L200-E203 PolarHBondContact O-N 2.96Å; E201-E203 PolarHBondContact O-N 3.35Å; E203-E206 PolarHBondContact O-N 2.92Å; E203-V207 WeakPolarHBondContact O-CB 3.33Å; E203-V207 WeakPolarHBondContact O-CG2 3.33Å; E203-V207 PolarHBondContact O-N 3.41Å; E203-R270 WeakPolarHBondContact OE1-CB 3.25Å; E203-R270 PolarHBondContact OE2-N 2.79Å; E203-T271 VanDerWaalsContact OE1-CB 3.23Å; E203-T271 WeakPolarHBondContact OE1-CB 3.22Å; E203-T271 PolarHBondContact OE1-N 2.85Å; E203-T271 PolarHBondContact OE1-OG1 2.95Å; E203-T271 PolarHBondContact OE2-N 3.48Å
204	E	92.1	Very high	93.5	Very high	122 Å²	122	84.2 Å²	84.2	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-62.3	-45.4	176	-175.5	178.5	-174.9	0	0	111.1	L200 E201 E206 V207 L208	L200-E204 PolarHBondContact O-N 2.83Å; E201-E204 PolarHBondContact O-N 2.83Å; E204-E206 VanDerWaalsContact C-N 3.27Å; E204-E206 PolarHBondContact O-N 2.91Å; E204-V207 PolarHBondContact O-N 2.91Å; E204-L208 HydrophobicContact CG-CB 4.38Å; E204-L208 HydrophobicContact CG-CD2 4.25Å; E204-L208 WeakPolarHBondContact O-CB 3.43Å; E204-L208 PolarHBondContact O-N 3.28Å
205	L	94.4	Very high	93.2	Very high	120 Å²	120	80.9 Å²	80.9	63%	0.628	40%	0.397	S	S	*	.	H	α-helix	trans	-64.6	-29.6	178	-71.8	173.2	0	0	0	112.8	E201 E202 P209	E201-L205 HydrophobicContact CG-CD1 4.21Å; E201-L205 WeakPolarHBondContact O-CB 3.46Å; E201-L205 VanDerWaalsContact O-CG 3.28Å; E201-L205 WeakPolarHBondContact O-CG 3.48Å; E201-L205 PolarHBondContact O-N 2.81Å; E202-L205 PolarHBondContact O-N 3.14Å; L205-P209 WeakPolarHBondContact O-CD 3.4Å; L205-P209 VanDerWaalsContact O-CG 3.24Å; L205-P209 WeakPolarHBondContact O-CG 3.33Å
206	E	91.4	Very high	93.1	Very high	90 Å²	90	79.6 Å²	79.6	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-74.3	-45.9	174.6	-174.8	-171.9	149.4	0	0	112.2	E202 E203 E204 R270	E202-E206 PolarHBondContact O-N 3.19Å; E203-E206 PolarHBondContact O-N 2.92Å; E204-E206 VanDerWaalsContact C-N 3.27Å; E204-E206 PolarHBondContact O-N 2.91Å; E206-R270 IonicContact OE1-NH1 2.74Å; E206-R270 PolarHBondContact OE1-NH1 2.8Å; E206-R270 IonicContact OE1-NH2 2.86Å; E206-R270 IonicContact OE2-CZ 3.53Å; E206-R270 IonicContact OE2-NH1 3.45Å; E206-R270 IonicContact OE2-NH2 3.98Å; E206-R270 PolarHBondContact OE2-NH2 2.85Å
207	V	90.5	Very high	93	Very high	35 Å²	35	84.9 Å²	84.9	21%	0.212	42%	0.419	C	S	.	.	H	α-helix	trans	-87.7	-41.9	-168.1	174.9	0	0	0	0	112.5	E203 E204 R210 L211 V265	E203-V207 WeakPolarHBondContact O-CB 3.33Å; E203-V207 WeakPolarHBondContact O-CG2 3.33Å; E203-V207 PolarHBondContact O-N 3.41Å; E204-V207 PolarHBondContact O-N 2.91Å; V207-R210 PolarHBondContact O-N 3.38Å; V207-L211 HydrophobicContact CG1-CD1 3.89Å; V207-L211 HydrophobicContact CG1-CG 4.22Å; V207-L211 PolarHBondContact O-N 2.97Å; V207-V265 HydrophobicContact CG1-CG1 3.89Å
208	L	92.3	Very high	92.9	Very high	52 Å²	52	82.5 Å²	82.5	27%	0.272	41%	0.407	S	S	.	.	H	α-helix	trans	-61.8	-40.9	-171.9	-174.7	61.8	0	0	0	113.8	E204 R210 L211 R212	E204-L208 HydrophobicContact CG-CB 4.38Å; E204-L208 HydrophobicContact CG-CD2 4.25Å; E204-L208 WeakPolarHBondContact O-CB 3.43Å; E204-L208 PolarHBondContact O-N 3.28Å; L208-R210 VanDerWaalsContact C-N 3.35Å; L208-R210 PolarHBondContact O-N 2.93Å; L208-L211 PolarHBondContact O-N 2.8Å; L208-R212 HydrophobicContact CD1-CG 4.47Å; L208-R212 WeakPolarHBondContact O-CG 3.39Å; L208-R212 PolarHBondContact O-N 3.49Å
209	P	92.4	Very high	92.7	Very high	67 Å²	67	79.8 Å²	79.8	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-39.7	176.4	-24.4	36.3	0	0	0	113	L205 L211 R212 E213	L205-P209 WeakPolarHBondContact O-CD 3.4Å; L205-P209 VanDerWaalsContact O-CG 3.24Å; L205-P209 WeakPolarHBondContact O-CG 3.33Å; P209-L211 PolarHBondContact O-N 3.27Å; P209-R212 PolarHBondContact O-N 3.06Å; P209-E213 WeakPolarHBondContact O-CB 3.34Å; P209-E213 PolarHBondContact O-N 2.93Å
210	R	91.4	Very high	92.6	Very high	91 Å²	91	82 Å²	82	34%	0.343	42%	0.42	S	S	.	.	H	α-helix	trans	-63.2	-43.1	178.5	-64.8	173.3	63.6	-163.3	-0.1	111.4	V207 L208 E213 G214 E263 V265	V207-R210 PolarHBondContact O-N 3.38Å; L208-R210 VanDerWaalsContact C-N 3.35Å; L208-R210 PolarHBondContact O-N 2.93Å; R210-E213 PolarHBondContact O-N 3.21Å; R210-G214 PolarHBondContact O-N 2.98Å; R210-E263 IonicContact CZ-OE1 3.57Å; R210-E263 IonicContact NH2-OE1 3.82Å; R210-E263 PolarHBondContact NH2-OE1 3.31Å; R210-V265 HydrophobicContact CB-CG2 4.19Å
211	L	90.6	Very high	92.6	Very high	62 Å²	62	80.8 Å²	80.8	33%	0.325	41%	0.412	S	S	.	.	H	α-helix	trans	-63.1	-44.6	174.8	-67.6	176.1	0	0	0	111.9	V207 L208 P209 G214 A215 V265 M267	V207-L211 HydrophobicContact CG1-CD1 3.89Å; V207-L211 HydrophobicContact CG1-CG 4.22Å; V207-L211 PolarHBondContact O-N 2.97Å; L208-L211 PolarHBondContact O-N 2.8Å; P209-L211 PolarHBondContact O-N 3.27Å; L211-G214 PolarHBondContact O-N 3.03Å; L211-A215 PolarHBondContact O-N 3.43Å; L211-V265 HydrophobicContact CD2-CB 3.77Å; L211-V265 HydrophobicContact CD2-CG1 4.23Å; L211-V265 HydrophobicContact CD2-CG2 3.98Å; L211-V265 HydrophobicContact CG-CG1 4.49Å; L211-M267 HydrophobicContact CD1-CE 3.93Å; L211-M267 HydrophobicContact CD1-SD 4.35Å
212	R	92.5	Very high	92.6	Very high	166 Å²	166	79 Å²	79	63%	0.626	41%	0.41	S	S	*	.	H	α-helix	trans	-62.9	-41.4	177.8	-75.6	176.3	175.7	166.4	0.6	112.1	L208 P209 A215 A216	L208-R212 HydrophobicContact CD1-CG 4.47Å; L208-R212 WeakPolarHBondContact O-CG 3.39Å; L208-R212 PolarHBondContact O-N 3.49Å; P209-R212 PolarHBondContact O-N 3.06Å; R212-A215 PolarHBondContact O-N 2.95Å; R212-A216 WeakPolarHBondContact O-CB 3.39Å; R212-A216 PolarHBondContact O-N 3.38Å
213	E	92.4	Very high	92.6	Very high	111 Å²	111	76.5 Å²	76.5	52%	0.519	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-43.5	176.3	-168.7	-172.7	156.3	0	0	111.4	P209 R210 A215 A216 R217	P209-E213 WeakPolarHBondContact O-CB 3.34Å; P209-E213 PolarHBondContact O-N 2.93Å; R210-E213 PolarHBondContact O-N 3.21Å; E213-A215 PolarHBondContact O-N 2.93Å; E213-A216 PolarHBondContact O-N 3.22Å; E213-R217 WeakPolarHBondContact O-CB 3.23Å; E213-R217 PolarHBondContact O-N 3Å; E213-R217 IonicContact OE1-CZ 2.68Å; E213-R217 IonicContact OE1-NH2 3.89Å; E213-R217 PolarHBondContact OE1-NH2 3.41Å
214	G	90.9	Very high	92.6	Very high	15 Å²	15	80.7 Å²	80.7	16%	0.155	43%	0.426	C	S	.	.	H	α-helix	trans	-58.1	-46.4	173.9	0	0	0	0	0	112.5	R210 L211 R217 L218	R210-G214 PolarHBondContact O-N 2.98Å; L211-G214 PolarHBondContact O-N 3.03Å; G214-R217 PolarHBondContact O-N 2.94Å; G214-L218 PolarHBondContact O-N 2.89Å; G214-L218 VanDerWaalsContact O-N 3.09Å
215	A	91.8	Very high	92.7	Very high	64 Å²	64	77.4 Å²	77.4	53%	0.529	41%	0.412	S	S	.	.	H	α-helix	trans	-63.8	-43.1	176.9	0	0	0	0	0	112.5	L211 R212 E213 R217 L218 G219	L211-A215 PolarHBondContact O-N 3.43Å; R212-A215 PolarHBondContact O-N 2.95Å; E213-A215 PolarHBondContact O-N 2.93Å; A215-R217 VanDerWaalsContact C-N 3.34Å; A215-R217 PolarHBondContact O-N 3.02Å; A215-L218 PolarHBondContact O-N 2.86Å; A215-G219 PolarHBondContact O-N 3.35Å
216	A	93.3	Very high	92.7	Very high	56 Å²	56	74.2 Å²	74.2	46%	0.463	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-41.6	177.6	0	0	0	0	0	111.9	R212 E213 G219 Q220	R212-A216 WeakPolarHBondContact O-CB 3.39Å; R212-A216 PolarHBondContact O-N 3.38Å; E213-A216 PolarHBondContact O-N 3.22Å; A216-G219 PolarHBondContact O-N 2.95Å; A216-Q220 WeakPolarHBondContact O-CG 3.28Å; A216-Q220 PolarHBondContact O-N 2.96Å
217	R	92.8	Very high	92.8	Very high	131 Å²	131	76.5 Å²	76.5	49%	0.494	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-41.8	177	-168.3	-176.7	-56	-112.3	-0.3	112.1	E213 G214 A215 Q220 Q221	E213-R217 WeakPolarHBondContact O-CB 3.23Å; E213-R217 PolarHBondContact O-N 3Å; E213-R217 IonicContact OE1-CZ 2.68Å; E213-R217 IonicContact OE1-NH2 3.89Å; E213-R217 PolarHBondContact OE1-NH2 3.41Å; G214-R217 PolarHBondContact O-N 2.94Å; A215-R217 VanDerWaalsContact C-N 3.34Å; A215-R217 PolarHBondContact O-N 3.02Å; R217-Q220 PolarHBondContact O-N 2.96Å; R217-Q221 WeakPolarHBondContact O-CG 3.26Å; R217-Q221 PolarHBondContact O-N 2.87Å
218	L	92.8	Very high	92.9	Very high	52 Å²	52	75.6 Å²	75.6	27%	0.272	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-37.9	173.2	-73.1	174.5	0	0	0	112.1	G214 A215 Q220 Q221 T222 P262	G214-L218 PolarHBondContact O-N 2.89Å; G214-L218 VanDerWaalsContact O-N 3.09Å; A215-L218 PolarHBondContact O-N 2.86Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 2.82Å; L218-Q221 PolarHBondContact O-N 2.92Å; L218-T222 WeakPolarHBondContact O-CB 3.29Å; L218-T222 PolarHBondContact O-N 2.8Å; L218-T222 PolarHBondContact O-OG1 2.77Å; L218-P262 HydrophobicContact CD1-CB 4.03Å; L218-P262 HydrophobicContact CD1-CG 3.86Å
219	G	93.8	Very high	93	Very high	41 Å²	41	77.4 Å²	77.4	42%	0.423	42%	0.417	S	S	.	.	H	α-helix	trans	-58.1	-44.8	172.8	0	0	0	0	0	112.2	A215 A216 T222 A223	A215-G219 PolarHBondContact O-N 3.35Å; A216-G219 PolarHBondContact O-N 2.95Å; G219-T222 PolarHBondContact O-N 3.46Å; G219-A223 PolarHBondContact O-N 2.78Å
220	Q	93.4	Very high	93.2	Very high	143 Å²	143	77 Å²	77	67%	0.668	42%	0.419	S	S	*	.	H	α-helix	trans	-63.1	-44.3	175.4	-70.8	174.2	-2.9	0	0	112.4	A216 R217 L218 T222 A223 H224	A216-Q220 WeakPolarHBondContact O-CG 3.28Å; A216-Q220 PolarHBondContact O-N 2.96Å; R217-Q220 PolarHBondContact O-N 2.96Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 2.82Å; Q220-T222 VanDerWaalsContact C-N 3.31Å; Q220-T222 PolarHBondContact O-N 2.83Å; Q220-A223 PolarHBondContact O-N 2.78Å; Q220-H224 PolarHBondContact O-N 2.89Å
221	Q	93.4	Very high	93.2	Very high	39 Å²	39	75.5 Å²	75.5	18%	0.182	42%	0.416	C	S	.	.	H	α-helix	trans	-62.4	-40	175.7	-70.7	178.4	41.2	0	0	111.7	R217 L218 H224 L225 L259 Q260	R217-Q221 WeakPolarHBondContact O-CG 3.26Å; R217-Q221 PolarHBondContact O-N 2.87Å; L218-Q221 PolarHBondContact O-N 2.92Å; Q221-H224 PolarHBondContact O-N 2.79Å; Q221-L225 WeakPolarHBondContact O-CB 3.24Å; Q221-L225 VanDerWaalsContact O-CG 3.26Å; Q221-L225 WeakPolarHBondContact O-CG 3.19Å; Q221-L225 PolarHBondContact O-N 2.69Å; Q221-L259 HydrophobicContact CB-CD1 4.32Å; Q221-Q260 PolarHBondContact OE1-O 2.91Å
222	T	95	Very high	93.2	Very high	86 Å²	86	75 Å²	75	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-43.4	178	-55.6	0	0	0	0	111.4	L218 G219 Q220 L225 A226	L218-T222 WeakPolarHBondContact O-CB 3.29Å; L218-T222 PolarHBondContact O-N 2.8Å; L218-T222 PolarHBondContact O-OG1 2.77Å; G219-T222 PolarHBondContact O-N 3.46Å; Q220-T222 VanDerWaalsContact C-N 3.31Å; Q220-T222 PolarHBondContact O-N 2.83Å; T222-L225 PolarHBondContact O-N 2.84Å; T222-A226 WeakPolarHBondContact O-CB 3.44Å; T222-A226 PolarHBondContact O-N 3.06Å
223	A	94.9	Very high	93.3	Very high	50 Å²	50	73.2 Å²	73.2	41%	0.413	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-45.1	176	0	0	0	0	0	111.5	G219 Q220 L225 A226 E227	G219-A223 PolarHBondContact O-N 2.78Å; Q220-A223 PolarHBondContact O-N 2.78Å; A223-L225 PolarHBondContact O-N 3.06Å; A223-A226 PolarHBondContact O-N 3.13Å; A223-E227 WeakPolarHBondContact O-CG 3.22Å; A223-E227 PolarHBondContact O-N 2.64Å
224	H	92.4	Very high	93.3	Very high	101 Å²	101	69.9 Å²	69.9	47%	0.468	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.7	-176.9	56.5	0	0	0	112.6	Q220 Q221 E227 L228	Q220-H224 PolarHBondContact O-N 2.89Å; Q221-H224 PolarHBondContact O-N 2.79Å; H224-E227 PolarHBondContact O-N 3.15Å; H224-L228 PolarHBondContact O-N 2.98Å; H224-L228 VanDerWaalsContact O-N 3.09Å
225	L	93.9	Very high	93.3	Very high	53 Å²	53	71.2 Å²	71.2	28%	0.277	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-43.9	174.3	-75.9	170.5	0	0	0	111.8	Q221 T222 A223 L228 I229 V257 L259	Q221-L225 WeakPolarHBondContact O-CB 3.24Å; Q221-L225 VanDerWaalsContact O-CG 3.26Å; Q221-L225 WeakPolarHBondContact O-CG 3.19Å; Q221-L225 PolarHBondContact O-N 2.69Å; T222-L225 PolarHBondContact O-N 2.84Å; A223-L225 PolarHBondContact O-N 3.06Å; L225-L228 PolarHBondContact O-N 3.37Å; L225-I229 WeakPolarHBondContact O-CB 3.48Å; L225-I229 WeakPolarHBondContact O-CD1 3.48Å; L225-I229 WeakPolarHBondContact O-CG1 3.4Å; L225-I229 PolarHBondContact O-N 2.89Å; L225-V257 HydrophobicContact CD2-CG1 3.35Å; L225-V257 HydrophobicContact CG-CG1 4.49Å; L225-L259 HydrophobicContact CD1-CD1 4.01Å
226	A	95.3	Very high	93.2	Very high	54 Å²	54	72.7 Å²	72.7	45%	0.446	41%	0.413	S	S	.	.	H	α-helix	trans	-63	-41.9	179	0	0	0	0	0	112.1	T222 A223 I229 A230	T222-A226 WeakPolarHBondContact O-CB 3.44Å; T222-A226 PolarHBondContact O-N 3.06Å; A223-A226 PolarHBondContact O-N 3.13Å; A226-I229 PolarHBondContact O-N 2.96Å; A226-A230 WeakPolarHBondContact O-CB 3.39Å; A226-A230 PolarHBondContact O-N 3.4Å
227	E	93.8	Very high	93.3	Very high	138 Å²	138	78 Å²	78	65%	0.645	43%	0.428	S	S	*	.	H	α-helix	trans	-60.8	-45.2	174.4	-73.6	176.4	179.9	0	0	111.7	A223 H224 A230 E231	A223-E227 WeakPolarHBondContact O-CG 3.22Å; A223-E227 PolarHBondContact O-N 2.64Å; H224-E227 PolarHBondContact O-N 3.15Å; E227-A230 PolarHBondContact O-N 3.47Å; E227-E231 PolarHBondContact O-N 2.87Å
228	L	92.9	Very high	93.3	Very high	15 Å²	15	75.8 Å²	75.8	8%	0.079	43%	0.426	C	S	.	.	H	α-helix	trans	-66.4	-41	178.8	-173.6	63.7	0	0	0	111.7	H224 L225 E231 L232 R253 V254 V257	H224-L228 PolarHBondContact O-N 2.98Å; H224-L228 VanDerWaalsContact O-N 3.09Å; L225-L228 PolarHBondContact O-N 3.37Å; L228-E231 PolarHBondContact O-N 2.97Å; L228-L232 HydrophobicContact CG-CD1 4.32Å; L228-L232 VanDerWaalsContact O-CG 3.25Å; L228-L232 WeakPolarHBondContact O-CG 3.15Å; L228-L232 PolarHBondContact O-N 2.84Å; L228-R253 HydrophobicContact CD1-CB 4.25Å; L228-V254 HydrophobicContact CD1-CG2 4.48Å; L228-V254 HydrophobicContact CD2-CG2 4.08Å; L228-V254 HydrophobicContact CG-CG2 4.45Å; L228-V257 HydrophobicContact CD2-CG2 3.45Å; L228-V257 VanDerWaalsContact CD2-CG2 3.45Å
229	I	94.1	Very high	93.3	Very high	91 Å²	91	78.1 Å²	78.1	47%	0.467	44%	0.444	S	S	.	.	H	α-helix	trans	-59.2	-49.4	174.6	-71.3	164.6	0	0	0	110	L225 A226 E231 L232 E233	L225-I229 WeakPolarHBondContact O-CB 3.48Å; L225-I229 WeakPolarHBondContact O-CD1 3.48Å; L225-I229 WeakPolarHBondContact O-CG1 3.4Å; L225-I229 PolarHBondContact O-N 2.89Å; A226-I229 PolarHBondContact O-N 2.96Å; I229-E231 VanDerWaalsContact C-N 3.33Å; I229-E231 PolarHBondContact O-N 3.47Å; I229-L232 PolarHBondContact O-N 3.28Å; I229-L232 VanDerWaalsContact O-N 3.17Å; I229-E233 HydrophobicContact CG2-CG 4.25Å; I229-E233 WeakPolarHBondContact O-CB 3.23Å; I229-E233 WeakPolarHBondContact O-CG 3.43Å; I229-E233 PolarHBondContact O-N 3.39Å
230	A	95.2	Very high	93.2	Very high	57 Å²	57	79.7 Å²	79.7	47%	0.471	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-38.9	178.9	0	0	0	0	0	112.4	A226 E227 G234	A226-A230 WeakPolarHBondContact O-CB 3.39Å; A226-A230 PolarHBondContact O-N 3.4Å; E227-A230 PolarHBondContact O-N 3.47Å; A230-G234 PolarHBondContact O-N 3.18Å
231	E	91.8	Very high	93	Very high	61 Å²	61	79.8 Å²	79.8	29%	0.285	46%	0.457	S	S	.	.	H	α-helix	trans	-59.1	-48.2	173.5	-166.7	-157.6	152.2	0	0	111	E227 L228 I229 G234 R235 R253	E227-E231 PolarHBondContact O-N 2.87Å; L228-E231 PolarHBondContact O-N 2.97Å; I229-E231 VanDerWaalsContact C-N 3.33Å; I229-E231 PolarHBondContact O-N 3.47Å; E231-G234 PolarHBondContact O-N 2.86Å; E231-R235 WeakPolarHBondContact O-CG 3.23Å; E231-R235 PolarHBondContact O-N 2.96Å; E231-R235 IonicContact OE1-CZ 3.09Å; E231-R235 IonicContact OE1-NE 2.91Å; E231-R235 PolarHBondContact OE1-NE 3.47Å; E231-R235 IonicContact OE1-NH2 2.66Å; E231-R235 PolarHBondContact OE1-NH2 2.83Å; E231-R235 VanDerWaalsContact OE1-NH2 3.14Å; E231-R253 IonicContact OE1-NH2 2.7Å; E231-R253 PolarHBondContact OE1-NH2 3.46Å; E231-R253 IonicContact OE2-CZ 2.75Å; E231-R253 IonicContact OE2-NE 3.14Å; E231-R253 IonicContact OE2-NH2 3.41Å; E231-R253 PolarHBondContact OE2-NH2 2.82Å
232	L	91.4	Very high	92.7	Very high	52 Å²	52	79 Å²	79	27%	0.272	46%	0.46	S	S	.	.	H	α-helix	trans	-68.1	-43.2	-178.3	-66.6	174.2	0	0	0	112.1	L228 I229 G234 R235 C236 A250 V254	L228-L232 HydrophobicContact CG-CD1 4.32Å; L228-L232 VanDerWaalsContact O-CG 3.25Å; L228-L232 WeakPolarHBondContact O-CG 3.15Å; L228-L232 PolarHBondContact O-N 2.84Å; I229-L232 PolarHBondContact O-N 3.28Å; I229-L232 VanDerWaalsContact O-N 3.17Å; L232-G234 VanDerWaalsContact C-N 3.33Å; L232-G234 PolarHBondContact O-N 2.96Å; L232-R235 PolarHBondContact O-N 3.06Å; L232-C236 PolarHBondContact O-N 2.84Å; L232-C236 PolarHBondContact O-SG 2.93Å; L232-A250 HydrophobicContact CD2-CB 4.48Å; L232-V254 HydrophobicContact CD1-CG2 3.64Å; L232-V254 HydrophobicContact CD2-CG2 4.21Å; L232-V254 HydrophobicContact CG-CG2 4.45Å
233	E	94.6	Very high	92.5	Very high	127 Å²	127	78 Å²	78	59%	0.593	45%	0.451	S	S	*	.	H	α-helix	trans	-59	-45	174.2	-74.2	-179.5	157.7	0	0	111.1	I229 C236	I229-E233 HydrophobicContact CG2-CG 4.25Å; I229-E233 WeakPolarHBondContact O-CB 3.23Å; I229-E233 WeakPolarHBondContact O-CG 3.43Å; I229-E233 PolarHBondContact O-N 3.39Å; E233-C236 PolarHBondContact O-N 2.62Å
234	G	93.1	Very high	92.3	Very high	41 Å²	41	81.3 Å²	81.3	42%	0.423	46%	0.461	S	S	.	.	H	α-helix	trans	-61.2	-44.3	175.6	0	0	0	0	0	112.6	A230 E231 L232 C236 Q237	A230-G234 PolarHBondContact O-N 3.18Å; E231-G234 PolarHBondContact O-N 2.86Å; L232-G234 VanDerWaalsContact C-N 3.33Å; L232-G234 PolarHBondContact O-N 2.96Å; G234-C236 PolarHBondContact O-N 3.47Å; G234-Q237 PolarHBondContact O-N 2.97Å
235	R	90.4	Very high	92.2	Very high	44 Å²	44	82.2 Å²	82.2	17%	0.166	47%	0.465	C	S	.	.	H	α-helix	trans	-62.7	-39.1	176.3	-77.3	177.8	176.6	-100.8	0.8	112.7	E231 L232 Q237 L238 L243 Q245	E231-R235 WeakPolarHBondContact O-CG 3.23Å; E231-R235 PolarHBondContact O-N 2.96Å; E231-R235 IonicContact OE1-CZ 3.09Å; E231-R235 IonicContact OE1-NE 2.91Å; E231-R235 PolarHBondContact OE1-NE 3.47Å; E231-R235 IonicContact OE1-NH2 2.66Å; E231-R235 PolarHBondContact OE1-NH2 2.83Å; E231-R235 VanDerWaalsContact OE1-NH2 3.14Å; L232-R235 PolarHBondContact O-N 3.06Å; R235-Q237 PolarHBondContact O-N 3.42Å; R235-Q237 VanDerWaalsContact O-N 3.15Å; R235-L238 HydrophobicContact CG-CD1 4.48Å; R235-L238 WeakPolarHBondContact O-CB 3.33Å; R235-L238 PolarHBondContact O-N 3.29Å; R235-L243 WeakPolarHBondContact O-CD1 3.28Å; R235-Q245 PolarHBondContact NH1-O 3.21Å
236	C	90.1	Very high	91.8	Very high	94 Å²	94	84.4 Å²	84.4	64%	0.635	48%	0.478	S	S	*	.	H	α-helix	trans	-61.4	-20.2	177.7	-74.3	0	0	0	0	113.5	L232 E233 G234	L232-C236 PolarHBondContact O-N 2.84Å; L232-C236 PolarHBondContact O-SG 2.93Å; E233-C236 PolarHBondContact O-N 2.62Å; G234-C236 PolarHBondContact O-N 3.47Å
237	Q	93.6	Very high	91.4	Very high	167 Å²	167	84 Å²	84	78%	0.78	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.3	175.7	-57.8	-61.1	-25.8	0	0	113.5	G234 R235	G234-Q237 PolarHBondContact O-N 2.97Å; R235-Q237 PolarHBondContact O-N 3.42Å; R235-Q237 VanDerWaalsContact O-N 3.15Å
238	L	93.1	Very high	91.2	Very high	85 Å²	85	85.7 Å²	85.7	45%	0.445	47%	0.472	S	S	.	.	S	Bend	trans	-79.9	151.6	-178.1	-64.9	175	0	0	0	112.5	R235	R235-L238 HydrophobicContact CG-CD1 4.48Å; R235-L238 WeakPolarHBondContact O-CB 3.33Å; R235-L238 PolarHBondContact O-N 3.29Å
239	P	92.6	Very high	91	Very high	102 Å²	102	89 Å²	89	66%	0.662	49%	0.491	S	S	*	.			trans	-59.6	158.4	168	-20.4	31.7	0	0	0	112.2	L241 G242 L243	P239-L241 VanDerWaalsContact C-N 3.27Å; P239-L241 PolarHBondContact O-N 3.34Å; P239-G242 PolarHBondContact O-N 3.03Å; P239-L243 PolarHBondContact O-N 3.38Å
240	A	91.9	Very high	90.6	Very high	73 Å²	73	84.7 Å²	84.7	60%	0.603	47%	0.468	S	S	*	.	H	α-helix	trans	-48.7	-39.5	-171.3	0	0	0	0	0	115.4	L244	A240-L244 WeakPolarHBondContact O-CB 3.33Å; A240-L244 VanDerWaalsContact O-CG 3.27Å; A240-L244 WeakPolarHBondContact O-CG 3.3Å; A240-L244 PolarHBondContact O-N 3.32Å; A240-L244 VanDerWaalsContact O-N 3.16Å
241	L	90.4	Very high	90.3	Very high	146 Å²	146	86.5 Å²	86.5	76%	0.764	47%	0.469	S	S	*	.	H	α-helix	trans	-64.5	-46.1	176.8	-177	67.4	0	0	0	112.1	P239 L244 Q245	P239-L241 VanDerWaalsContact C-N 3.27Å; P239-L241 PolarHBondContact O-N 3.34Å; L241-L244 PolarHBondContact O-N 3.33Å; L241-Q245 PolarHBondContact O-N 3.27Å; L241-Q245 VanDerWaalsContact O-N 3.13Å
242	G	87.2	Confident	90.2	Very high	23 Å²	23	91.3 Å²	91.3	24%	0.237	49%	0.485	C	S	.	.	H	α-helix	trans	-71.4	-31.2	-179.8	0	0	0	0	0	113.2	P239	P239-G242 PolarHBondContact O-N 3.03Å
243	L	90.7	Very high	90	Very high	63 Å²	63	93.4 Å²	93.4	33%	0.33	49%	0.489	S	S	.	.	H	α-helix	trans	-65.1	-43.7	172.4	179.1	69.1	0	0	0	111.8	R235 P239	R235-L243 WeakPolarHBondContact O-CD1 3.28Å; P239-L243 PolarHBondContact O-N 3.38Å
244	L	90.3	Very high	89.7	Confident	121 Å²	121	90.3 Å²	90.3	63%	0.634	48%	0.479	S	S	*	.	H	α-helix	trans	-79.5	-18.6	-175.8	-67.7	174.9	0	0	0	113.4	A240 L241 D246 I247	A240-L244 WeakPolarHBondContact O-CB 3.33Å; A240-L244 VanDerWaalsContact O-CG 3.27Å; A240-L244 WeakPolarHBondContact O-CG 3.3Å; A240-L244 PolarHBondContact O-N 3.32Å; A240-L244 VanDerWaalsContact O-N 3.16Å; L241-L244 PolarHBondContact O-N 3.33Å; L244-D246 PolarHBondContact O-N 2.85Å; L244-I247 WeakPolarHBondContact O-CG2 3.29Å
245	Q	89.3	Confident	89.4	Confident	119 Å²	119	95.6 Å²	95.6	56%	0.556	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	124.6	178.9	-168.3	168.6	-2.4	0	0	111.1	R235 L241 I247	R235-Q245 PolarHBondContact NH1-O 3.21Å; L241-Q245 PolarHBondContact O-N 3.27Å; L241-Q245 VanDerWaalsContact O-N 3.13Å; Q245-I247 PolarHBondContact O-N 3.46Å
246	D	86	Confident	89.2	Confident	100 Å²	100	98.6 Å²	98.6	54%	0.535	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	23.2	179.1	-49.2	-39.5	0	0	0	114.7	L244 K248 D249	L244-D246 PolarHBondContact O-N 2.85Å; D246-K248 PolarHBondContact O-N 2.72Å; D246-D249 PolarHBondContact O-N 2.68Å; D246-D249 VanDerWaalsContact O-N 3.16Å
247	I	87.9	Confident	89.1	Confident	45 Å²	45	96.2 Å²	96.2	23%	0.231	49%	0.494	C	S	.	.	H	α-helix	trans	-62.3	-28.4	-176.7	-167.9	59.8	0	0	0	112.7	L244 Q245 D249 A250 L251	L244-I247 WeakPolarHBondContact O-CG2 3.29Å; Q245-I247 PolarHBondContact O-N 3.46Å; I247-D249 VanDerWaalsContact C-N 3.29Å; I247-D249 PolarHBondContact O-N 3.27Å; I247-A250 PolarHBondContact O-N 2.76Å; I247-L251 HydrophobicContact CD1-CG 4.46Å; I247-L251 HydrophobicContact CG1-CD1 4.03Å; I247-L251 HydrophobicContact CG1-CG 4.19Å; I247-L251 WeakPolarHBondContact O-CB 3.5Å; I247-L251 VanDerWaalsContact O-CG 3.3Å; I247-L251 WeakPolarHBondContact O-CG 3.38Å; I247-L251 PolarHBondContact O-N 2.75Å
248	K	89.1	Confident	88.7	Confident	173 Å²	173	95.8 Å²	95.8	75%	0.752	49%	0.49	S	S	*	.	H	α-helix	trans	-60.5	-38.8	177.5	-71.9	-177.1	178.5	177.8	0	111.9	D246 R252	D246-K248 PolarHBondContact O-N 2.72Å; K248-R252 WeakPolarHBondContact O-CB 3.45Å; K248-R252 PolarHBondContact O-N 2.71Å
249	D	87.8	Confident	88.5	Confident	86 Å²	86	97 Å²	97	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-74.1	-38.8	-179.1	-66.2	-32	0	0	0	111.5	D246 I247 R252 R253	D246-D249 PolarHBondContact O-N 2.68Å; D246-D249 VanDerWaalsContact O-N 3.16Å; I247-D249 VanDerWaalsContact C-N 3.29Å; I247-D249 PolarHBondContact O-N 3.27Å; D249-R252 PolarHBondContact O-N 3.3Å; D249-R253 WeakPolarHBondContact O-CG 3.37Å; D249-R253 PolarHBondContact O-N 3.44Å; D249-R253 PolarHBondContact O-NH1 3.05Å
250	A	86.4	Confident	88.3	Confident	0 Å²	0	97.2 Å²	97.2	0%	0	49%	0.489	C	S	.	.	H	α-helix	trans	-62.7	-46.9	173.5	0	0	0	0	0	111.4	L232 I247 R252 R253 V254	L232-A250 HydrophobicContact CD2-CB 4.48Å; I247-A250 PolarHBondContact O-N 2.76Å; A250-R252 VanDerWaalsContact C-N 3.32Å; A250-R252 PolarHBondContact O-N 2.68Å; A250-R253 PolarHBondContact O-N 2.89Å; A250-V254 WeakPolarHBondContact O-CG2 3.49Å; A250-V254 PolarHBondContact O-N 2.81Å
251	L	88.6	Confident	88	Confident	94 Å²	94	98.8 Å²	98.8	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-35.7	177	-70.4	175	0	0	0	112.6	I247 V254 Q255	I247-L251 HydrophobicContact CD1-CG 4.46Å; I247-L251 HydrophobicContact CG1-CD1 4.03Å; I247-L251 HydrophobicContact CG1-CG 4.19Å; I247-L251 WeakPolarHBondContact O-CB 3.5Å; I247-L251 VanDerWaalsContact O-CG 3.3Å; I247-L251 WeakPolarHBondContact O-CG 3.38Å; I247-L251 PolarHBondContact O-N 2.75Å; L251-V254 PolarHBondContact O-N 2.81Å; L251-Q255 WeakPolarHBondContact O-CG 3.41Å; L251-Q255 PolarHBondContact O-N 2.83Å; L251-Q255 VanDerWaalsContact O-N 3.11Å
252	R	90.4	Very high	87.7	Confident	163 Å²	163	95 Å²	95	62%	0.615	48%	0.477	S	S	*	.	H	α-helix	trans	-63.5	-46.7	173.5	-177.2	179	174.6	179.9	1.3	111.4	K248 D249 A250 V254 Q255 D256	K248-R252 WeakPolarHBondContact O-CB 3.45Å; K248-R252 PolarHBondContact O-N 2.71Å; D249-R252 PolarHBondContact O-N 3.3Å; A250-R252 VanDerWaalsContact C-N 3.32Å; A250-R252 PolarHBondContact O-N 2.68Å; R252-V254 VanDerWaalsContact C-N 3.28Å; R252-V254 PolarHBondContact O-N 3.16Å; R252-Q255 PolarHBondContact O-N 3.21Å; R252-Q255 VanDerWaalsContact O-N 3.11Å; R252-D256 IonicContact NE-OD2 2.83Å; R252-D256 PolarHBondContact O-N 2.8Å
253	R	86.9	Confident	87.6	Confident	96 Å²	96	100.6 Å²	100.6	36%	0.362	50%	0.497	S	S	.	.	H	α-helix	trans	-58	-41.2	176.3	-72.8	-168.1	-61.8	-83.2	5.5	111.9	L228 E231 D249 A250 Q255 D256 V257	L228-R253 HydrophobicContact CD1-CB 4.25Å; E231-R253 IonicContact OE1-NH2 2.7Å; E231-R253 PolarHBondContact OE1-NH2 3.46Å; E231-R253 IonicContact OE2-CZ 2.75Å; E231-R253 IonicContact OE2-NE 3.14Å; E231-R253 IonicContact OE2-NH2 3.41Å; E231-R253 PolarHBondContact OE2-NH2 2.82Å; D249-R253 WeakPolarHBondContact O-CG 3.37Å; D249-R253 PolarHBondContact O-N 3.44Å; D249-R253 PolarHBondContact O-NH1 3.05Å; A250-R253 PolarHBondContact O-N 2.89Å; R253-Q255 PolarHBondContact O-N 3.25Å; R253-D256 PolarHBondContact O-N 2.81Å; R253-V257 VanDerWaalsContact O-CG2 3.29Å; R253-V257 WeakPolarHBondContact O-CG2 3.47Å; R253-V257 PolarHBondContact O-N 2.78Å
254	V	88.6	Confident	87.2	Confident	61 Å²	61	103.9 Å²	103.9	37%	0.37	52%	0.519	S	S	.	.	H	α-helix	trans	-61.2	-41.6	175.5	173.9	0	0	0	0	112.4	L228 L232 A250 L251 R252 D256	L228-V254 HydrophobicContact CD1-CG2 4.48Å; L228-V254 HydrophobicContact CD2-CG2 4.08Å; L228-V254 HydrophobicContact CG-CG2 4.45Å; L232-V254 HydrophobicContact CD1-CG2 3.64Å; L232-V254 HydrophobicContact CD2-CG2 4.21Å; L232-V254 HydrophobicContact CG-CG2 4.45Å; A250-V254 WeakPolarHBondContact O-CG2 3.49Å; A250-V254 PolarHBondContact O-N 2.81Å; L251-V254 PolarHBondContact O-N 2.81Å; R252-V254 VanDerWaalsContact C-N 3.28Å; R252-V254 PolarHBondContact O-N 3.16Å; V254-D256 VanDerWaalsContact C-N 3.32Å
255	Q	86	Confident	86.8	Confident	152 Å²	152	99 Å²	99	71%	0.71	49%	0.494	S	S	*	.	H	α-helix	trans	-69.5	-30.5	177.8	-72.3	176.2	8.7	0	0	113	L251 R252 R253	L251-Q255 WeakPolarHBondContact O-CG 3.41Å; L251-Q255 PolarHBondContact O-N 2.83Å; L251-Q255 VanDerWaalsContact O-N 3.11Å; R252-Q255 PolarHBondContact O-N 3.21Å; R252-Q255 VanDerWaalsContact O-N 3.11Å; R253-Q255 PolarHBondContact O-N 3.25Å
256	D	86	Confident	86.2	Confident	108 Å²	108	97.3 Å²	97.3	58%	0.578	49%	0.494	S	S	*	.	H	α-helix	trans	-80.9	-15.8	-178.7	-70.6	-24.1	0	0	0	112.9	R252 R253 V254 K258	R252-D256 IonicContact NE-OD2 2.83Å; R252-D256 PolarHBondContact O-N 2.8Å; R253-D256 PolarHBondContact O-N 2.81Å; V254-D256 VanDerWaalsContact C-N 3.32Å; D256-K258 PolarHBondContact O-N 3.42Å
257	V	88.7	Confident	85.7	Confident	44 Å²	44	98.7 Å²	98.7	27%	0.267	50%	0.498	S	S	.	.			trans	-66	119.2	175	174.1	0	0	0	0	110.7	L225 L228 R253	L225-V257 HydrophobicContact CD2-CG1 3.35Å; L225-V257 HydrophobicContact CG-CG1 4.49Å; L228-V257 HydrophobicContact CD2-CG2 3.45Å; L228-V257 VanDerWaalsContact CD2-CG2 3.45Å; R253-V257 VanDerWaalsContact O-CG2 3.29Å; R253-V257 WeakPolarHBondContact O-CG2 3.47Å; R253-V257 PolarHBondContact O-N 2.78Å
258	K	85.4	Confident	85.2	Confident	157 Å²	157	101.7 Å²	101.7	68%	0.683	51%	0.512	S	S	*	.			trans	-132.3	112.8	169.9	-66.8	-178.2	-177.2	176.2	0	109.8	D256 Q260	D256-K258 PolarHBondContact O-N 3.42Å; K258-Q260 PolarHBondContact O-N 3.07Å
259	L	89.1	Confident	84.8	Confident	112 Å²	112	97.2 Å²	97.2	59%	0.586	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-64.3	126.7	171.6	-170.6	75.7	0	0	0	108.9	Q221 L225	Q221-L259 HydrophobicContact CB-CD1 4.32Å; L225-L259 HydrophobicContact CD1-CD1 4.01Å
260	Q	87.9	Confident	84.6	Confident	106 Å²	106	100.6 Å²	100.6	50%	0.495	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-103.2	122.6	175.9	-61.1	-61.2	-38.1	0	0	108.7	Q221 K258	Q221-Q260 PolarHBondContact OE1-O 2.91Å; K258-Q260 PolarHBondContact O-N 3.07Å
261	P	85.7	Confident	84.7	Confident	106 Å²	106	101.2 Å²	101.2	69%	0.688	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-62.6	151.1	174.1	28.3	-33.6	0	0	0	110
262	P	83.6	Confident	84.6	Confident	67 Å²	67	99 Å²	99	44%	0.435	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-64.7	154.9	173	31.3	-34.4	0	0	0	110	L218 V264	L218-P262 HydrophobicContact CD1-CB 4.03Å; L218-P262 HydrophobicContact CD1-CG 3.86Å; P262-V264 PolarHBondContact O-N 2.96Å
263	E	84.8	Confident	84.6	Confident	140 Å²	140	93.8 Å²	93.8	65%	0.654	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-59.1	135.1	168.9	-172.5	-174.3	143.7	0	0	109.8	R210 V265	R210-E263 IonicContact CZ-OE1 3.57Å; R210-E263 IonicContact NH2-OE1 3.82Å; R210-E263 PolarHBondContact NH2-OE1 3.31Å; E263-V265 PolarHBondContact O-N 3.26Å; E263-V265 VanDerWaalsContact O-N 3.13Å
264	V	82.2	Confident	84.7	Confident	132 Å²	132	96.1 Å²	96.1	80%	0.8	49%	0.492	S	S	*	.			trans	-74.7	104.2	175	-179.1	0	0	0	0	108.1	P262	P262-V264 PolarHBondContact O-N 2.96Å
265	V	82.8	Confident	84.8	Confident	17 Å²	17	95.8 Å²	95.8	10%	0.103	49%	0.49	C	S	.	.			trans	-88.6	119.9	173.9	-175.6	0	0	0	0	108.2	V207 R210 L211 E263 M267	V207-V265 HydrophobicContact CG1-CG1 3.89Å; R210-V265 HydrophobicContact CB-CG2 4.19Å; L211-V265 HydrophobicContact CD2-CB 3.77Å; L211-V265 HydrophobicContact CD2-CG1 4.23Å; L211-V265 HydrophobicContact CD2-CG2 3.98Å; L211-V265 HydrophobicContact CG-CG1 4.49Å; E263-V265 PolarHBondContact O-N 3.26Å; E263-V265 VanDerWaalsContact O-N 3.13Å; V265-M267 PolarHBondContact O-N 2.85Å
266	P	76.8	Confident	85	Confident	85 Å²	85	91.7 Å²	91.7	55%	0.552	48%	0.477	S	S	*	.			trans	-57.5	125.3	176.1	-23.5	33.6	0	0	0	110.8
267	M	75.7	Confident	85.2	Confident	128 Å²	128	88.4 Å²	88.4	63%	0.631	47%	0.469	S	S	*	.			trans	-102.9	49.8	-179.2	-66.1	-139.5	67.6	0	0	111.2	L211 V265	L211-M267 HydrophobicContact CD1-CE 3.93Å; L211-M267 HydrophobicContact CD1-SD 4.35Å; V265-M267 PolarHBondContact O-N 2.85Å
268	E	76.5	Confident	85.3	Confident	109 Å²	109	88.5 Å²	88.5	51%	0.509	47%	0.467	S	S	.	.			trans	-112.7	122.3	179.4	-44.7	-163.8	153.9	0	0	108.9	R270 L397	E268-R270 PolarHBondContact O-N 2.93Å; E268-L397 HydrophobicContact CG-CB 3.84Å; E268-L397 HydrophobicContact CG-CD1 4.44Å; E268-L397 WeakPolarHBondContact OE1-CB 3.23Å
269	L	80.3	Confident	85.7	Confident	78 Å²	78	81.2 Å²	81.2	41%	0.408	44%	0.436	S	S	.	.			trans	-75.8	121.6	172.8	-69.1	-178.5	0	0	0	108.7	L200 P396	L200-L269 HydrophobicContact CD2-CD1 4.28Å; L200-L269 HydrophobicContact CD2-CD2 4.48Å; L269-P396 HydrophobicContact CB-CB 4.05Å; L269-P396 HydrophobicContact CB-CG 3.85Å; L269-P396 HydrophobicContact CD1-CG 3.59Å; L269-P396 HydrophobicContact CG-CB 4.18Å; L269-P396 HydrophobicContact CG-CG 3.68Å
270	R	84.5	Confident	85.8	Confident	158 Å²	158	81.1 Å²	81.1	60%	0.596	43%	0.432	S	S	*	.			trans	-78.4	-33.1	178.1	-57	177.9	-66.3	-145.1	-0.5	110.1	E203 E206 E268	E203-R270 WeakPolarHBondContact OE1-CB 3.25Å; E203-R270 PolarHBondContact OE2-N 2.79Å; E206-R270 IonicContact OE1-NH1 2.74Å; E206-R270 PolarHBondContact OE1-NH1 2.8Å; E206-R270 IonicContact OE1-NH2 2.86Å; E206-R270 IonicContact OE2-CZ 3.53Å; E206-R270 IonicContact OE2-NH1 3.45Å; E206-R270 IonicContact OE2-NH2 3.98Å; E206-R270 PolarHBondContact OE2-NH2 2.85Å; E268-R270 PolarHBondContact O-N 2.93Å
271	T	88.3	Confident	86.1	Confident	13 Å²	13	78.9 Å²	78.9	8%	0.08	43%	0.426	C	S	.	.			trans	-76.6	126.8	178	-66.1	0	0	0	0	111.4	L196 R199 L200 E203	L196-T271 HydrophobicContact CD2-CG2 3.81Å; R199-T271 HydrophobicContact CB-CG2 4.04Å; R199-T271 VanDerWaalsContact CB-OG1 3.24Å; R199-T271 WeakPolarHBondContact CB-OG1 3.48Å; L200-T271 HydrophobicContact CD2-CG2 4.09Å; L200-T271 HydrophobicContact CG-CG2 3.9Å; E203-T271 VanDerWaalsContact OE1-CB 3.23Å; E203-T271 WeakPolarHBondContact OE1-CB 3.22Å; E203-T271 PolarHBondContact OE1-N 2.85Å; E203-T271 PolarHBondContact OE1-OG1 2.95Å; E203-T271 PolarHBondContact OE2-N 3.48Å
272	V	86.4	Confident	86.5	Confident	47 Å²	47	74.3 Å²	74.3	29%	0.285	40%	0.396	S	S	.	.			trans	-115.6	128.7	-178.6	-179.2	0	0	0	0	109.5	L196 R274	L196-V272 WeakPolarHBondContact CD2-O 3.45Å; V272-R274 PolarHBondContact O-N 3.41Å; V272-R274 VanDerWaalsContact O-N 3.08Å
273	C	89.9	Confident	87	Confident	54 Å²	54	75.4 Å²	75.4	37%	0.365	39%	0.391	S	S	.	.			trans	-69.6	107	173.3	179.3	0	0	0	0	109.2	L425	C273-L425 HydrophobicContact CB-CB 4.07Å; C273-L425 HydrophobicContact CB-CD2 4.24Å; C273-L425 WeakPolarHBondContact O-CB 3.46Å; C273-L425 PolarHBondContact O-N 2.93Å
274	R	89.6	Confident	87.5	Confident	145 Å²	145	78.2 Å²	78.2	55%	0.547	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-129.9	111.2	175.9	175.4	-178.4	143	176.2	-7.5	108	V272 P276 D422	V272-R274 PolarHBondContact O-N 3.41Å; V272-R274 VanDerWaalsContact O-N 3.08Å; R274-P276 WeakPolarHBondContact O-CD 3.46Å; R274-D422 WeakPolarHBondContact CD-O 3.22Å
275	V	91.6	Very high	88.1	Confident	54 Å²	54	74.5 Å²	74.5	33%	0.327	37%	0.369	S	S	.	.			trans	-92.3	116.3	176.2	-177.9	0	0	0	0	108.4	L189 G277 L278	L189-V275 HydrophobicContact CD2-CG1 3.95Å; V275-G277 PolarHBondContact O-N 3.14Å; V275-L278 HydrophobicContact CB-CB 3.89Å; V275-L278 HydrophobicContact CB-CD2 3.92Å; V275-L278 HydrophobicContact CG1-CB 4.08Å; V275-L278 HydrophobicContact CG1-CD2 4.49Å; V275-L278 HydrophobicContact CG2-CD2 4.26Å; V275-L278 WeakPolarHBondContact O-CB 3.31Å; V275-L278 PolarHBondContact O-N 3.49Å
276	P	89.2	Confident	88.6	Confident	66 Å²	66	76.4 Å²	76.4	43%	0.429	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	131.5	-178	-26.1	35.2	0	0	0	112.7	E192 R274 L278	E192-P276 HydrophobicContact CG-CG 4.45Å; R274-P276 WeakPolarHBondContact O-CD 3.46Å; P276-L278 PolarHBondContact O-N 3.17Å
277	G	89.8	Confident	89.1	Confident	39 Å²	39	73.4 Å²	73.4	40%	0.402	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-0.8	176.4	0	0	0	0	0	115.5	V275 E280 T281	V275-G277 PolarHBondContact O-N 3.14Å; G277-E280 VanDerWaalsContact C-OE2 3.24Å; G277-E280 WeakPolarHBondContact CA-OE2 3.35Å; G277-T281 PolarHBondContact O-N 2.96Å; G277-T281 VanDerWaalsContact O-N 3.07Å; G277-T281 PolarHBondContact O-OG1 3.32Å
278	L	92.2	Very high	89.8	Confident	46 Å²	46	71.3 Å²	71.3	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-53.9	-176.2	179	60.2	0	0	0	111.2	V275 P276 E280 T281 L282 Y418	V275-L278 HydrophobicContact CB-CB 3.89Å; V275-L278 HydrophobicContact CB-CD2 3.92Å; V275-L278 HydrophobicContact CG1-CB 4.08Å; V275-L278 HydrophobicContact CG1-CD2 4.49Å; V275-L278 HydrophobicContact CG2-CD2 4.26Å; V275-L278 WeakPolarHBondContact O-CB 3.31Å; V275-L278 PolarHBondContact O-N 3.49Å; P276-L278 PolarHBondContact O-N 3.17Å; L278-E280 VanDerWaalsContact C-N 3.27Å; L278-E280 PolarHBondContact O-N 2.99Å; L278-T281 CarbonylContact O-C 3.59Å; L278-T281 WeakPolarHBondContact O-CA 3.45Å; L278-T281 WeakPolarHBondContact O-CB 3.44Å; L278-T281 PolarHBondContact O-N 3.42Å; L278-L282 HydrophobicContact CD1-CD1 4.42Å; L278-L282 HydrophobicContact CD1-CD2 4.29Å; L278-L282 HydrophobicContact CD1-CG 4.17Å; L278-L282 HydrophobicContact CG-CD1 4.15Å; L278-L282 HydrophobicContact CG-CG 4.29Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.44Å; L278-Y418 HydrophobicContact CD2-CE1 3.65Å
279	V	92.1	Very high	90.7	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-37	-178.5	170.9	0	0	0	0	111.6	T281 L282 R283 Y418	V279-T281 VanDerWaalsContact C-N 3.29Å; V279-T281 PolarHBondContact O-N 3.15Å; V279-L282 PolarHBondContact O-N 3.08Å; V279-R283 WeakPolarHBondContact O-CG 3.43Å; V279-R283 PolarHBondContact O-N 3.39Å; V279-Y418 HydrophobicContact CG2-CD1 4.29Å; V279-Y418 HydrophobicContact CG2-CG 4.18Å
280	E	92.3	Very high	91.6	Very high	110 Å²	110	63.9 Å²	63.9	51%	0.514	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-39	172.7	-67.2	71.1	-155.8	0	0	112	G277 L278	G277-E280 VanDerWaalsContact C-OE2 3.24Å; G277-E280 WeakPolarHBondContact CA-OE2 3.35Å; L278-E280 VanDerWaalsContact C-N 3.27Å; L278-E280 PolarHBondContact O-N 2.99Å
281	T	93.6	Very high	92.2	Very high	60 Å²	60	56.4 Å²	56.4	37%	0.368	29%	0.288	S	S	.	.	H	α-helix	trans	-70	-41.7	175.5	-57.2	0	0	0	0	111.3	G277 L278 V279 R283 R284	G277-T281 PolarHBondContact O-N 2.96Å; G277-T281 VanDerWaalsContact O-N 3.07Å; G277-T281 PolarHBondContact O-OG1 3.32Å; L278-T281 CarbonylContact O-C 3.59Å; L278-T281 WeakPolarHBondContact O-CA 3.45Å; L278-T281 WeakPolarHBondContact O-CB 3.44Å; L278-T281 PolarHBondContact O-N 3.42Å; V279-T281 VanDerWaalsContact C-N 3.29Å; V279-T281 PolarHBondContact O-N 3.15Å; T281-R283 VanDerWaalsContact C-N 3.28Å; T281-R283 PolarHBondContact O-N 2.86Å; T281-R284 VanDerWaalsContact O-CB 3.27Å; T281-R284 WeakPolarHBondContact O-CB 3.31Å; T281-R284 VanDerWaalsContact O-CG 3.28Å; T281-R284 WeakPolarHBondContact O-CG 3.23Å; T281-R284 PolarHBondContact O-N 3.33Å; T281-R284 VanDerWaalsContact O-N 3.13Å
282	L	94.8	Very high	92.7	Very high	10 Å²	10	56.2 Å²	56.2	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-32.4	178.4	-63.6	-179	0	0	0	112.3	L278 V279 R284 F285 Y343 F407 Y418	L278-L282 HydrophobicContact CD1-CD1 4.42Å; L278-L282 HydrophobicContact CD1-CD2 4.29Å; L278-L282 HydrophobicContact CD1-CG 4.17Å; L278-L282 HydrophobicContact CG-CD1 4.15Å; L278-L282 HydrophobicContact CG-CG 4.29Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.44Å; V279-L282 PolarHBondContact O-N 3.08Å; L282-R284 PolarHBondContact O-N 3.44Å; L282-F285 PolarHBondContact O-N 3.03Å; L282-Y343 HydrophobicContact CB-CD2 3.94Å; L282-Y343 HydrophobicContact CB-CE2 4.09Å; L282-Y343 HydrophobicContact CB-CG 4.27Å; L282-Y343 HydrophobicContact CD1-CE2 4.38Å; L282-Y343 WeakPolarHBondContact O-CB 3.38Å; L282-F407 HydrophobicContact CD1-CB 4.14Å; L282-F407 HydrophobicContact CD1-CG 4.24Å; L282-F407 HydrophobicContact CD2-CD1 3.92Å; L282-F407 HydrophobicContact CD2-CD2 3.81Å; L282-F407 HydrophobicContact CD2-CE1 3.97Å; L282-F407 HydrophobicContact CD2-CE2 3.85Å; L282-F407 HydrophobicContact CD2-CG 3.84Å; L282-F407 HydrophobicContact CD2-CZ 3.94Å; L282-Y418 HydrophobicContact CD1-CD2 3.84Å; L282-Y418 HydrophobicContact CD1-CE1 4.46Å; L282-Y418 HydrophobicContact CD1-CE2 3.38Å
283	R	93.9	Very high	93.2	Very high	90 Å²	90	55.9 Å²	55.9	34%	0.34	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-59.3	-16.6	174.3	-77	171.6	176.7	163.7	4.7	114.1	V279 T281 F285 R286 Y343 E345	V279-R283 WeakPolarHBondContact O-CG 3.43Å; V279-R283 PolarHBondContact O-N 3.39Å; T281-R283 VanDerWaalsContact C-N 3.28Å; T281-R283 PolarHBondContact O-N 2.86Å; R283-F285 PolarHBondContact O-N 3.48Å; R283-R286 VanDerWaalsContact O-CB 3.24Å; R283-R286 WeakPolarHBondContact O-CB 3.4Å; R283-R286 PolarHBondContact O-N 2.95Å; R283-Y343 HydrophobicContact CG-CD1 4.2Å; R283-Y343 HydrophobicContact CG-CE1 3.69Å; R283-E345 IonicContact CZ-OE1 3.6Å; R283-E345 IonicContact NE-OE1 3.05Å; R283-E345 PolarHBondContact NE-OE1 3Å; R283-E345 IonicContact NH2-OE1 2.79Å; R283-E345 PolarHBondContact NH2-OE1 2.99Å; R283-E345 VanDerWaalsContact NH2-OE1 3.16Å; R283-E345 IonicContact NH2-OE2 3.63Å
284	R	94.5	Very high	93.4	Very high	199 Å²	199	58.4 Å²	58.4	75%	0.751	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.3	171.1	-61.6	176.9	-176.4	-178.5	1.9	112.8	T281 L282	T281-R284 VanDerWaalsContact O-CB 3.27Å; T281-R284 WeakPolarHBondContact O-CB 3.31Å; T281-R284 VanDerWaalsContact O-CG 3.28Å; T281-R284 WeakPolarHBondContact O-CG 3.23Å; T281-R284 PolarHBondContact O-N 3.33Å; T281-R284 VanDerWaalsContact O-N 3.13Å; L282-R284 PolarHBondContact O-N 3.44Å
285	F	94.9	Very high	93.8	Very high	54 Å²	54	51.5 Å²	51.5	24%	0.237	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-98.3	17.5	177	-53.2	-68.5	0	0	0	112.2	L282 R283 G287 R341 Y343 F407	L282-F285 PolarHBondContact O-N 3.03Å; R283-F285 PolarHBondContact O-N 3.48Å; F285-G287 PolarHBondContact O-N 2.81Å; F285-G287 VanDerWaalsContact O-N 3.1Å; F285-R341 HydrophobicContact CB-CB 4.33Å; F285-R341 HydrophobicContact CD1-CB 3.65Å; F285-R341 HydrophobicContact CD2-CB 4.4Å; F285-R341 HydrophobicContact CE1-CB 4.04Å; F285-R341 VanDerWaalsContact CE1-CZ 3.49Å; F285-R341 HydrophobicContact CG-CB 3.86Å; F285-R341 VanDerWaalsContact CZ-CZ 3.47Å; F285-Y343 PolarHBondContact O-N 3.4Å; F285-F407 HydrophobicContact CB-CE2 4.38Å; F285-F407 AromaticContact CD2-CE2 3.79Å; F285-F407 HydrophobicContact CD2-CE2 3.79Å; F285-F407 HydrophobicContact CD2-CZ 4.44Å; F285-F407 HydrophobicContact CE2-CE2 4.46Å; F285-F407 HydrophobicContact CG-CE2 4.25Å
286	R	93.3	Very high	94	Very high	56 Å²	56	49.1 Å²	49.1	21%	0.211	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-64	116.5	-175.3	-171.8	-180	-82.2	-151.1	-2	110.4	R283 Y343 E345 R456 P457	R283-R286 VanDerWaalsContact O-CB 3.24Å; R283-R286 WeakPolarHBondContact O-CB 3.4Å; R283-R286 PolarHBondContact O-N 2.95Å; R286-Y343 CarbonylContact C-O 3.5Å; R286-Y343 VanDerWaalsContact CA-O 3.22Å; R286-Y343 WeakPolarHBondContact CA-O 3.06Å; R286-Y343 HydrophobicContact CB-CD1 4.43Å; R286-E345 IonicContact CZ-OE1 3.86Å; R286-E345 IonicContact CZ-OE2 2.72Å; R286-E345 IonicContact NH2-OE1 3.44Å; R286-E345 PolarHBondContact NH2-OE1 2.96Å; R286-E345 IonicContact NH2-OE2 3.19Å; R286-E345 PolarHBondContact NH2-OE2 3.28Å; R286-R456 PolarHBondContact NH1-O 3.14Å; R286-P457 HydrophobicContact CG-CB 4.31Å
287	G	88.3	Confident	94.3	Very high	23 Å²	23	46 Å²	46	24%	0.237	24%	0.235	C	C	.	.			trans	-93.6	156.8	175.4	0	0	0	0	0	111.9	F285 V289 Y343	F285-G287 PolarHBondContact O-N 2.81Å; F285-G287 VanDerWaalsContact O-N 3.1Å; G287-V289 PolarHBondContact O-N 3.36Å; G287-Y343 PolarHBondContact N-O 3.47Å
288	D	90.3	Very high	94.6	Very high	84 Å²	84	44.4 Å²	44.4	45%	0.449	22%	0.217	S	C	.	.			trans	-91.7	91.7	175.9	-162.5	35.1	0	0	0	110.5	R307 E335 P457	D288-R307 IonicContact OD1-CZ 3.44Å; D288-R307 IonicContact OD1-NH1 3.92Å; D288-R307 PolarHBondContact OD1-NH1 2.99Å; D288-R307 IonicContact OD1-NH2 3.5Å; D288-R307 PolarHBondContact OD1-NH2 3.44Å; D288-R307 IonicContact OD2-CZ 3.91Å; D288-R307 IonicContact OD2-NH2 2.75Å; D288-R307 PolarHBondContact OD2-NH2 2.79Å; D288-E335 VanDerWaalsContact O-OE1 3.12Å; D288-P457 HydrophobicContact CB-CG 4.09Å; D288-P457 VanDerWaalsContact OD1-CD 3.27Å; D288-P457 WeakPolarHBondContact OD1-CD 3.34Å
289	V	95.8	Very high	94.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	22%	0.217	C	C	.	.			trans	-95.8	126.7	-173.7	178.7	0	0	0	0	112.1	G287 R307 E335 F337 W344 P440 F442 I454	G287-V289 PolarHBondContact O-N 3.36Å; V289-R307 WeakPolarHBondContact O-CD 3.43Å; V289-R307 PolarHBondContact O-NH1 3.45Å; V289-E335 VanDerWaalsContact CA-CD 3.48Å; V289-E335 WeakPolarHBondContact CA-OE2 3.28Å; V289-E335 WeakPolarHBondContact CG1-OE2 3.42Å; V289-F337 HydrophobicContact CG2-CZ 4.31Å; V289-W344 HydrophobicContact CB-CB 4.34Å; V289-W344 HydrophobicContact CB-CG 4.39Å; V289-W344 HydrophobicContact CG2-CB 3.85Å; V289-W344 HydrophobicContact CG2-CD2 4.12Å; V289-W344 HydrophobicContact CG2-CE3 4.35Å; V289-W344 HydrophobicContact CG2-CG 3.91Å; V289-P440 HydrophobicContact CG1-CB 4.01Å; V289-P440 HydrophobicContact CG1-CG 3.72Å; V289-P440 HydrophobicContact CG2-CG 4.43Å; V289-F442 HydrophobicContact CG1-CE2 4.2Å; V289-F442 HydrophobicContact CG1-CZ 3.76Å; V289-I454 HydrophobicContact CB-CG2 4.24Å; V289-I454 HydrophobicContact CG1-CD1 4.15Å; V289-I454 WeakPolarHBondContact O-CG2 3.39Å
290	T	97.6	Very high	94.9	Very high	29 Å²	29	44.6 Å²	44.6	18%	0.178	22%	0.217	C	C	.	.			trans	-122.8	154.3	-179.5	54.9	0	0	0	0	111.3	G333 Q334 E335	T290-G333 CarbonylContact O-C 3.44Å; T290-G333 WeakPolarHBondContact O-CA 3.27Å; T290-Q334 PolarHBondContact O-N 2.69Å; T290-Q334 WeakPolarHBondContact OG1-CB 3.39Å; T290-E335 VanDerWaalsContact N-CD 3.26Å; T290-E335 PolarHBondContact N-OE1 3.29Å; T290-E335 PolarHBondContact N-OE2 2.96Å; T290-E335 PolarHBondContact OG1-OE1 3.34Å
291	L	98.4	Very high	95	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-82.1	140.4	179.7	-60.2	170.2	0	0	0	111.1	P293 L302 R306 S308 V309 V331 F442 I454	L291-P293 WeakPolarHBondContact O-CD 3.36Å; L291-L302 HydrophobicContact CB-CD1 4.41Å; L291-L302 HydrophobicContact CD1-CD2 4.06Å; L291-R306 HydrophobicContact CB-CB 4.39Å; L291-R306 WeakPolarHBondContact CB-O 3.3Å; L291-R306 WeakPolarHBondContact CG-O 3.35Å; L291-R306 PolarHBondContact N-O 3.35Å; L291-R306 WeakPolarHBondContact O-CD 3.21Å; L291-S308 WeakPolarHBondContact CD1-O 3.4Å; L291-V309 HydrophobicContact CD1-CB 3.86Å; L291-V309 HydrophobicContact CD1-CG1 4.24Å; L291-V331 HydrophobicContact CB-CG2 4.31Å; L291-V331 HydrophobicContact CD2-CG1 3.88Å; L291-V331 HydrophobicContact CD2-CG2 4.38Å; L291-F442 HydrophobicContact CD2-CB 4.36Å; L291-F442 HydrophobicContact CD2-CD2 3.32Å; L291-F442 HydrophobicContact CD2-CE2 3.69Å; L291-F442 HydrophobicContact CD2-CG 3.89Å; L291-I454 HydrophobicContact CD2-CD1 3.76Å; L291-I454 HydrophobicContact CG-CD1 3.84Å
292	D	97.6	Very high	95.2	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.043	21%	0.205	C	C	.	.			trans	-97.4	106.4	177.7	-176.3	-12.6	0	0	0	111.2	D294 T295 A296 V331 L332 R439	D292-D294 PolarHBondContact O-N 2.81Å; D292-D294 WeakPolarHBondContact OD1-CB 3.37Å; D292-D294 PolarHBondContact OD1-N 2.81Å; D292-T295 HydrophobicContact CB-CG2 4.11Å; D292-T295 PolarHBondContact O-N 2.88Å; D292-T295 VanDerWaalsContact O-N 3.16Å; D292-T295 PolarHBondContact O-OG1 2.98Å; D292-T295 WeakPolarHBondContact OD2-CG2 3.41Å; D292-A296 PolarHBondContact O-N 3.29Å; D292-V331 WeakPolarHBondContact O-CG2 3.44Å; D292-L332 WeakPolarHBondContact CB-O 3.48Å; D292-L332 PolarHBondContact N-O 3.25Å; D292-R439 IonicContact OD2-CZ 2.91Å; D292-R439 IonicContact OD2-NH1 3.96Å; D292-R439 PolarHBondContact OD2-NH1 2.93Å; D292-R439 IonicContact OD2-NH2 2.69Å; D292-R439 PolarHBondContact OD2-NH2 2.81Å
293	P	96.8	Very high	95.3	Very high	41 Å²	41	43.7 Å²	43.7	27%	0.266	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.6	-177.4	-21.6	34.6	0	0	0	114.7	L291 T295 A296 L302 R324	L291-P293 WeakPolarHBondContact O-CD 3.36Å; P293-T295 PolarHBondContact O-N 3.37Å; P293-A296 PolarHBondContact O-N 2.82Å; P293-L302 HydrophobicContact CB-CD1 3.96Å; P293-L302 HydrophobicContact CG-CD1 4Å; P293-R324 PolarHBondContact O-NH1 2.92Å; P293-R324 VanDerWaalsContact O-NH1 3.17Å
294	D	95.7	Very high	95.4	Very high	106 Å²	106	48.7 Å²	48.7	57%	0.567	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.3	-178.8	-65.9	-27.9	0	0	0	111.4	D292	D292-D294 PolarHBondContact O-N 2.81Å; D292-D294 WeakPolarHBondContact OD1-CB 3.37Å; D292-D294 PolarHBondContact OD1-N 2.81Å
295	T	96.6	Very high	95.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-20.7	177.9	71.3	0	0	0	0	113.6	D292 P293 N297 E323 F325 L332	D292-T295 HydrophobicContact CB-CG2 4.11Å; D292-T295 PolarHBondContact O-N 2.88Å; D292-T295 VanDerWaalsContact O-N 3.16Å; D292-T295 PolarHBondContact O-OG1 2.98Å; D292-T295 WeakPolarHBondContact OD2-CG2 3.41Å; P293-T295 PolarHBondContact O-N 3.37Å; T295-N297 PolarHBondContact O-N 3.26Å; T295-E323 WeakPolarHBondContact CA-O 3.4Å; T295-F325 WeakPolarHBondContact O-CD2 3.25Å; T295-F325 PolarHBondContact O-N 3.38Å; T295-L332 HydrophobicContact CG2-CB 4.19Å; T295-L332 HydrophobicContact CG2-CD1 4.24Å; T295-L332 HydrophobicContact CG2-CG 4.27Å; T295-L332 PolarHBondContact OG1-N 3.25Å
296	A	96.7	Very high	95.5	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.033	23%	0.233	C	C	.	.	S	Bend	trans	-65.5	129.6	-169.1	0	0	0	0	0	112.6	D292 P293 L302 R324 V331	D292-A296 PolarHBondContact O-N 3.29Å; P293-A296 PolarHBondContact O-N 2.82Å; A296-L302 HydrophobicContact CB-CD1 4.02Å; A296-L302 HydrophobicContact CB-CD2 4.45Å; A296-L302 HydrophobicContact CB-CG 4.42Å; A296-R324 WeakPolarHBondContact O-CD 3.34Å; A296-R324 WeakPolarHBondContact O-CG 3.16Å; A296-R324 PolarHBondContact O-NH1 3Å; A296-V331 HydrophobicContact CB-CB 4Å; A296-V331 HydrophobicContact CB-CG2 3.71Å
297	N	95.3	Very high	95.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.011	23%	0.227	C	C	.	.			trans	-54.7	143.8	171.5	176	-84.7	0	0	0	111.9	T295 E299 L300 F325 G328 C330	T295-N297 PolarHBondContact O-N 3.26Å; N297-E299 PolarHBondContact O-N 2.68Å; N297-E299 VanDerWaalsContact O-N 3.08Å; N297-E299 WeakPolarHBondContact OD1-CB 3.45Å; N297-E299 PolarHBondContact OD1-N 3.46Å; N297-L300 HydrophobicContact CB-CD1 4.13Å; N297-L300 HydrophobicContact CB-CG 4.09Å; N297-L300 WeakPolarHBondContact O-CB 3.34Å; N297-L300 PolarHBondContact O-N 3.48Å; N297-F325 VanDerWaalsContact CA-O 3.23Å; N297-F325 WeakPolarHBondContact CA-O 3.37Å; N297-F325 HydrophobicContact CB-CB 4.37Å; N297-F325 VanDerWaalsContact CB-O 3.28Å; N297-F325 WeakPolarHBondContact CB-O 3.25Å; N297-F325 PolarHBondContact ND2-O 3.31Å; N297-G328 VanDerWaalsContact CB-O 3.29Å; N297-G328 WeakPolarHBondContact CB-O 3.34Å; N297-G328 PolarHBondContact ND2-O 3.23Å; N297-C330 PolarHBondContact N-O 3.3Å
298	P	95.5	Very high	96.1	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.032	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.4	-175.9	-23.5	33.6	0	0	0	116	L300 R315 Q316	P298-L300 VanDerWaalsContact C-N 3.28Å; P298-R315 HydrophobicContact CB-CG 3.78Å; P298-Q316 VanDerWaalsContact O-CB 3.28Å; P298-Q316 WeakPolarHBondContact O-CB 3.41Å; P298-Q316 WeakPolarHBondContact O-CG 3.27Å; P298-Q316 PolarHBondContact O-N 2.9Å; P298-Q316 PolarHBondContact O-NE2 2.74Å
299	E	94.8	Very high	96.4	Very high	49 Å²	49	39.7 Å²	39.7	23%	0.229	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.9	172.9	-60.3	179.2	-174.3	0	0	113	N297 R311 G312 R315	N297-E299 PolarHBondContact O-N 2.68Å; N297-E299 VanDerWaalsContact O-N 3.08Å; N297-E299 WeakPolarHBondContact OD1-CB 3.45Å; N297-E299 PolarHBondContact OD1-N 3.46Å; E299-R311 HydrophobicContact CB-CG 4.4Å; E299-R311 IonicContact OE2-CZ 2.68Å; E299-R311 VanDerWaalsContact OE2-CZ 3.22Å; E299-R311 IonicContact OE2-NE 3.31Å; E299-R311 PolarHBondContact OE2-NE 3.3Å; E299-R311 IonicContact OE2-NH2 3.46Å; E299-R311 PolarHBondContact OE2-NH2 2.93Å; E299-G312 PolarHBondContact O-N 2.89Å; E299-R315 HydrophobicContact CG-CB 4.26Å; E299-R315 HydrophobicContact CG-CG 4.34Å
300	L	96.2	Very high	96.4	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.6	-178.7	-61.1	-177.1	0	0	0	111.9	N297 P298 V309 Q310 R311 Q316 P329 C330 V331 P444	N297-L300 HydrophobicContact CB-CD1 4.13Å; N297-L300 HydrophobicContact CB-CG 4.09Å; N297-L300 WeakPolarHBondContact O-CB 3.34Å; N297-L300 PolarHBondContact O-N 3.48Å; P298-L300 VanDerWaalsContact C-N 3.28Å; L300-V309 HydrophobicContact CB-CG2 4Å; L300-V309 HydrophobicContact CD1-CG2 4.02Å; L300-V309 HydrophobicContact CD2-CG2 4Å; L300-V309 HydrophobicContact CG-CG2 4.23Å; L300-Q310 CarbonylContact C-O 3.31Å; L300-Q310 WeakPolarHBondContact CA-O 3.39Å; L300-R311 HydrophobicContact CD2-CB 4.24Å; L300-R311 HydrophobicContact CD2-CG 4.47Å; L300-Q316 PolarHBondContact O-NE2 2.63Å; L300-P329 HydrophobicContact CD2-CB 4.19Å; L300-C330 VanDerWaalsContact CD1-C 3.46Å; L300-C330 WeakPolarHBondContact CD1-O 3.45Å; L300-V331 HydrophobicContact CD1-CB 3.91Å; L300-V331 HydrophobicContact CD1-CG1 4.03Å; L300-P444 HydrophobicContact CD2-CG 3.57Å
301	I	95.6	Very high	96.2	Very high	80 Å²	80	44.5 Å²	44.5	41%	0.41	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.5	174.4	-55.8	172.1	0	0	0	107.3	V309 Q310	I301-V309 WeakPolarHBondContact O-CA 3.39Å; I301-Q310 PolarHBondContact N-O 3.41Å; I301-Q310 PolarHBondContact O-N 3.39Å
302	L	96.9	Very high	95.8	Very high	44 Å²	44	45.1 Å²	45.1	23%	0.23	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	145.1	178.6	-52.4	-173.4	0	0	0	110.4	L291 P293 A296 S308 V309 V331	L291-L302 HydrophobicContact CB-CD1 4.41Å; L291-L302 HydrophobicContact CD1-CD2 4.06Å; P293-L302 HydrophobicContact CB-CD1 3.96Å; P293-L302 HydrophobicContact CG-CD1 4Å; A296-L302 HydrophobicContact CB-CD1 4.02Å; A296-L302 HydrophobicContact CB-CD2 4.45Å; A296-L302 HydrophobicContact CB-CG 4.42Å; L302-S308 WeakPolarHBondContact CA-O 3.4Å; L302-V309 HydrophobicContact CD2-CB 3.82Å; L302-V309 HydrophobicContact CD2-CG2 3.67Å; L302-V331 HydrophobicContact CD2-CG2 4.45Å
303	S	96.7	Very high	95.3	Very high	36 Å²	36	51.6 Å²	51.6	25%	0.252	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-67.8	155.6	168.1	59.9	0	0	0	0	111.9	D305 R306 R307 S308	S303-D305 VanDerWaalsContact C-N 3.26Å; S303-D305 WeakPolarHBondContact CB-OD1 3.43Å; S303-D305 PolarHBondContact O-N 2.9Å; S303-D305 PolarHBondContact OG-OD1 3.44Å; S303-R306 PolarHBondContact O-N 2.74Å; S303-R307 PolarHBondContact OG-N 3.15Å; S303-S308 PolarHBondContact N-O 2.95Å; S303-S308 PolarHBondContact OG-N 2.68Å
304	E	95.9	Very high	94.9	Very high	196 Å²	196	56.5 Å²	56.5	92%	0.916	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.8	175.5	-172.5	176.8	-171.7	0	0	112.6	R306	E304-R306 PolarHBondContact O-N 3.39Å
305	D	95.1	Very high	94.7	Very high	68 Å²	68	58.4 Å²	58.4	36%	0.364	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2.2	177.5	78.8	-16.3	0	0	0	114.4	S303 R307 R456	S303-D305 VanDerWaalsContact C-N 3.26Å; S303-D305 WeakPolarHBondContact CB-OD1 3.43Å; S303-D305 PolarHBondContact O-N 2.9Å; S303-D305 PolarHBondContact OG-OD1 3.44Å; D305-R307 PolarHBondContact O-N 3.06Å; D305-R307 PolarHBondContact OD1-N 3.11Å; D305-R307 VanDerWaalsContact OD1-N 3.12Å; D305-R456 IonicContact OD2-CZ 2.83Å; D305-R456 IonicContact OD2-NH2 3.41Å; D305-R456 PolarHBondContact OD2-NH2 2.99Å
306	R	96.9	Very high	94.5	Very high	113 Å²	113	61.9 Å²	61.9	43%	0.426	30%	0.299	S	S	.	.	S	Bend	trans	54.8	31.8	-179.5	-52.8	-176.3	-176.1	-165.4	-0.5	114.2	L291 S303 E304	L291-R306 HydrophobicContact CB-CB 4.39Å; L291-R306 WeakPolarHBondContact CB-O 3.3Å; L291-R306 WeakPolarHBondContact CG-O 3.35Å; L291-R306 PolarHBondContact N-O 3.35Å; L291-R306 WeakPolarHBondContact O-CD 3.21Å; S303-R306 PolarHBondContact O-N 2.74Å; E304-R306 PolarHBondContact O-N 3.39Å
307	R	96.4	Very high	94.3	Very high	22 Å²	22	67.1 Å²	67.1	8%	0.083	34%	0.342	C	S	.	.			trans	-107.7	-23	175.4	-61.9	-62.5	171.4	145.8	7.4	114.1	D288 V289 S303 D305 T453 I454	D288-R307 IonicContact OD1-CZ 3.44Å; D288-R307 IonicContact OD1-NH1 3.92Å; D288-R307 PolarHBondContact OD1-NH1 2.99Å; D288-R307 IonicContact OD1-NH2 3.5Å; D288-R307 PolarHBondContact OD1-NH2 3.44Å; D288-R307 IonicContact OD2-CZ 3.91Å; D288-R307 IonicContact OD2-NH2 2.75Å; D288-R307 PolarHBondContact OD2-NH2 2.79Å; V289-R307 WeakPolarHBondContact O-CD 3.43Å; V289-R307 PolarHBondContact O-NH1 3.45Å; S303-R307 PolarHBondContact OG-N 3.15Å; D305-R307 PolarHBondContact O-N 3.06Å; D305-R307 PolarHBondContact OD1-N 3.11Å; D305-R307 VanDerWaalsContact OD1-N 3.12Å; R307-T453 CarbonylContact O-C 3.2Å; R307-T453 WeakPolarHBondContact O-CA 3.41Å; R307-I454 HydrophobicContact CB-CB 4.48Å; R307-I454 PolarHBondContact O-N 2.92Å
308	S	97.1	Very high	94.1	Very high	21 Å²	21	70.6 Å²	70.6	15%	0.147	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.6	-174.7	-62	0	0	0	0	111	L291 L302 S303 M452 T453	L291-S308 WeakPolarHBondContact CD1-O 3.4Å; L302-S308 WeakPolarHBondContact CA-O 3.4Å; S303-S308 PolarHBondContact N-O 2.95Å; S303-S308 PolarHBondContact OG-N 2.68Å; S308-M452 CarbonylContact C-O 3.53Å; S308-M452 VanDerWaalsContact CA-O 3.25Å; S308-M452 WeakPolarHBondContact CA-O 3.27Å; S308-T453 WeakPolarHBondContact OG-CB 3.36Å; S308-T453 VanDerWaalsContact OG-CG2 3.22Å; S308-T453 WeakPolarHBondContact OG-CG2 3.39Å; S308-T453 PolarHBondContact OG-OG1 3.02Å
309	V	96.9	Very high	93.8	Very high	2 Å²	2	75 Å²	75	1%	0.012	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.9	173.7	58.1	0	0	0	0	110.6	L291 L300 I301 L302 V331 F442 P444 M452	L291-V309 HydrophobicContact CD1-CB 3.86Å; L291-V309 HydrophobicContact CD1-CG1 4.24Å; L300-V309 HydrophobicContact CB-CG2 4Å; L300-V309 HydrophobicContact CD1-CG2 4.02Å; L300-V309 HydrophobicContact CD2-CG2 4Å; L300-V309 HydrophobicContact CG-CG2 4.23Å; I301-V309 WeakPolarHBondContact O-CA 3.39Å; L302-V309 HydrophobicContact CD2-CB 3.82Å; L302-V309 HydrophobicContact CD2-CG2 3.67Å; V309-V331 HydrophobicContact CB-CG1 4.36Å; V309-V331 HydrophobicContact CG1-CG1 4.35Å; V309-V331 HydrophobicContact CG2-CG1 4.04Å; V309-F442 HydrophobicContact CG1-CB 4.41Å; V309-P444 HydrophobicContact CG2-CG 4.29Å; V309-M452 HydrophobicContact CG1-CB 4.08Å; V309-M452 HydrophobicContact CG1-CG 4.49Å; V309-M452 HydrophobicContact CG1-SD 4.33Å; V309-M452 PolarHBondContact N-O 3.39Å; V309-M452 PolarHBondContact O-N 2.97Å
310	Q	95.1	Very high	93.6	Very high	59 Å²	59	78.6 Å²	78.6	28%	0.276	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.1	174.5	-169.6	177.1	9.1	0	0	109.3	L300 I301 S448 P451	L300-Q310 CarbonylContact C-O 3.31Å; L300-Q310 WeakPolarHBondContact CA-O 3.39Å; I301-Q310 PolarHBondContact N-O 3.41Å; I301-Q310 PolarHBondContact O-N 3.39Å; Q310-S448 PolarHBondContact NE2-O 3.45Å; Q310-P451 HydrophobicContact CB-CB 4.26Å
311	R	94.3	Very high	93.4	Very high	74 Å²	74	80 Å²	80	28%	0.279	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.8	168.7	-168	173.9	-174.9	-167.9	-4.3	108.2	E299 L300 P444 L445	E299-R311 HydrophobicContact CB-CG 4.4Å; E299-R311 IonicContact OE2-CZ 2.68Å; E299-R311 VanDerWaalsContact OE2-CZ 3.22Å; E299-R311 IonicContact OE2-NE 3.31Å; E299-R311 PolarHBondContact OE2-NE 3.3Å; E299-R311 IonicContact OE2-NH2 3.46Å; E299-R311 PolarHBondContact OE2-NH2 2.93Å; L300-R311 HydrophobicContact CD2-CB 4.24Å; L300-R311 HydrophobicContact CD2-CG 4.47Å; R311-P444 HydrophobicContact CB-CG 4.07Å; R311-L445 PolarHBondContact NH1-O 3.41Å
312	G	90.3	Very high	93.2	Very high	14 Å²	14	81.4 Å²	81.4	14%	0.144	43%	0.434	C	S	.	.			trans	-80.4	164.1	173	0	0	0	0	0	111.8	E299 L314	E299-G312 PolarHBondContact O-N 2.89Å; G312-L314 VanDerWaalsContact C-N 3.31Å
313	D	87	Confident	93	Very high	143 Å²	143	83.3 Å²	83.3	77%	0.765	44%	0.442	S	S	*	.	S	Bend	trans	-79	-19.2	178.2	-57	-39.7	0	0	0	112.5
314	L	88.3	Confident	92.9	Very high	145 Å²	145	82.3 Å²	82.3	76%	0.759	43%	0.433	S	S	*	.	S	Bend	trans	-118.5	138.1	-177.6	-63.3	175.8	0	0	0	110.8	G312 Q316	G312-L314 VanDerWaalsContact C-N 3.31Å; L314-Q316 PolarHBondContact O-N 3.27Å
315	R	91.7	Very high	92.8	Very high	145 Å²	145	73.2 Å²	73.2	55%	0.547	39%	0.39	S	S	.	.			trans	-70.5	124.2	171.3	-169.5	179.3	172.8	136.2	-0.1	109.6	P298 E299 D326	P298-R315 HydrophobicContact CB-CG 3.78Å; E299-R315 HydrophobicContact CG-CB 4.26Å; E299-R315 HydrophobicContact CG-CG 4.34Å; R315-D326 IonicContact CZ-OD2 3.63Å; R315-D326 IonicContact NH1-OD1 2.6Å; R315-D326 IonicContact NH1-OD2 3.57Å; R315-D326 IonicContact NH2-OD1 3.59Å; R315-D326 IonicContact NH2-OD2 2.81Å; R315-D326 PolarHBondContact NH2-OD2 3.07Å
316	Q	92.3	Very high	92.6	Very high	74 Å²	74	71.9 Å²	71.9	35%	0.346	38%	0.383	S	S	.	.			trans	-75	146.7	177.2	-64.8	166.3	89.1	0	0	111.3	P298 L300 L314 L318	P298-Q316 VanDerWaalsContact O-CB 3.28Å; P298-Q316 WeakPolarHBondContact O-CB 3.41Å; P298-Q316 WeakPolarHBondContact O-CG 3.27Å; P298-Q316 PolarHBondContact O-N 2.9Å; P298-Q316 PolarHBondContact O-NE2 2.74Å; L300-Q316 PolarHBondContact O-NE2 2.63Å; L314-Q316 PolarHBondContact O-N 3.27Å; Q316-L318 HydrophobicContact CB-CD1 4.26Å; Q316-L318 HydrophobicContact CB-CG 3.95Å; Q316-L318 PolarHBondContact O-N 3.13Å
317	A	92.1	Very high	92.1	Very high	113 Å²	113	69.3 Å²	69.3	93%	0.934	38%	0.381	S	S	*	.			trans	-80	67.3	175.2	0	0	0	0	0	111.1
318	L	90.4	Very high	91.7	Very high	75 Å²	75	69.5 Å²	69.5	39%	0.393	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-95.5	148.1	176.8	-63.4	177.6	0	0	0	110.9	Q316	Q316-L318 HydrophobicContact CB-CD1 4.26Å; Q316-L318 HydrophobicContact CB-CG 3.95Å; Q316-L318 PolarHBondContact O-N 3.13Å
319	P	90.3	Very high	91.4	Very high	99 Å²	99	69.4 Å²	69.4	64%	0.643	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-63	139.4	175.2	26.6	-33.4	0	0	0	110.7	R324	P319-R324 PolarHBondContact O-NE 2.95Å; P319-R324 PolarHBondContact O-NH2 2.79Å
320	D	89.6	Confident	91.3	Very high	124 Å²	124	69.3 Å²	69.3	66%	0.663	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-72	142.1	172.7	-169.4	30.8	0	0	0	110.4	K366	D320-K366 IonicContact OD1-NZ 3.16Å; D320-K366 PolarHBondContact OD1-NZ 3.08Å
321	S	92.6	Very high	91.4	Very high	33 Å²	33	66.5 Å²	66.5	23%	0.231	38%	0.375	C	S	.	.			trans	-149.9	153.2	177.6	75.8	0	0	0	0	110	E323 R324 K366	S321-E323 PolarHBondContact O-N 3.36Å; S321-R324 PolarHBondContact O-N 2.9Å; S321-R324 VanDerWaalsContact O-N 3.11Å; S321-R324 PolarHBondContact OG-N 3.48Å; S321-K366 WeakPolarHBondContact O-CE 3.33Å; S321-K366 PolarHBondContact O-NZ 3.06Å
322	P	91.3	Very high	91.6	Very high	110 Å²	110	63 Å²	63	71%	0.714	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-29.7	175.3	-24.8	34.6	0	0	0	113.5	R324	P322-R324 VanDerWaalsContact C-N 3.32Å; P322-R324 PolarHBondContact O-N 3.44Å
323	E	93.1	Very high	92	Very high	84 Å²	84	62.3 Å²	62.3	39%	0.393	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-23.1	-179.9	-63	-62.6	128.5	0	0	112.9	T295 S321 R365	T295-E323 WeakPolarHBondContact CA-O 3.4Å; S321-E323 PolarHBondContact O-N 3.36Å; E323-R365 WeakPolarHBondContact O-CD 3.47Å; E323-R365 PolarHBondContact O-NH1 3Å; E323-R365 IonicContact OE2-CZ 3.86Å; E323-R365 IonicContact OE2-NH1 2.78Å; E323-R365 PolarHBondContact OE2-NH1 3.17Å; E323-R365 IonicContact OE2-NH2 2.78Å; E323-R365 PolarHBondContact OE2-NH2 3.43Å
324	R	94.6	Very high	92.4	Very high	14 Å²	14	58.7 Å²	58.7	5%	0.053	33%	0.333	C	S	.	.	S	Bend	trans	-79.4	129.3	-174.5	-165	179.4	-59	-68.4	-3.6	112.3	P293 A296 P319 S321 P322 D326 K366	P293-R324 PolarHBondContact O-NH1 2.92Å; P293-R324 VanDerWaalsContact O-NH1 3.17Å; A296-R324 WeakPolarHBondContact O-CD 3.34Å; A296-R324 WeakPolarHBondContact O-CG 3.16Å; A296-R324 PolarHBondContact O-NH1 3Å; P319-R324 PolarHBondContact O-NE 2.95Å; P319-R324 PolarHBondContact O-NH2 2.79Å; S321-R324 PolarHBondContact O-N 2.9Å; S321-R324 VanDerWaalsContact O-N 3.11Å; S321-R324 PolarHBondContact OG-N 3.48Å; P322-R324 VanDerWaalsContact C-N 3.32Å; P322-R324 PolarHBondContact O-N 3.44Å; R324-D326 PolarHBondContact O-N 3.37Å; R324-K366 WeakPolarHBondContact O-CE 3.3Å; R324-K366 PolarHBondContact O-NZ 3.02Å
325	F	93.8	Very high	92.8	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	31%	0.306	C	S	.	.			trans	-67.7	124.3	171.2	-80.3	-90.1	0	0	0	112.1	T295 N297 C330 L332 V363 R365 F377	T295-F325 WeakPolarHBondContact O-CD2 3.25Å; T295-F325 PolarHBondContact O-N 3.38Å; N297-F325 VanDerWaalsContact CA-O 3.23Å; N297-F325 WeakPolarHBondContact CA-O 3.37Å; N297-F325 HydrophobicContact CB-CB 4.37Å; N297-F325 VanDerWaalsContact CB-O 3.28Å; N297-F325 WeakPolarHBondContact CB-O 3.25Å; N297-F325 PolarHBondContact ND2-O 3.31Å; F325-C330 HydrophobicContact CB-CB 4.16Å; F325-C330 HydrophobicContact CD1-CB 3.84Å; F325-C330 HydrophobicContact CD2-CB 4.1Å; F325-C330 HydrophobicContact CE1-CB 4.25Å; F325-C330 HydrophobicContact CG-CB 3.75Å; F325-L332 HydrophobicContact CE2-CD1 3.99Å; F325-L332 HydrophobicContact CE2-CD2 3.69Å; F325-L332 HydrophobicContact CE2-CG 3.67Å; F325-L332 HydrophobicContact CZ-CD2 3.99Å; F325-L332 HydrophobicContact CZ-CG 4.39Å; F325-V363 HydrophobicContact CZ-CG2 4.01Å; F325-R365 WeakPolarHBondContact CA-O 3.46Å; F325-R365 HydrophobicContact CD1-CB 3.94Å; F325-R365 HydrophobicContact CD1-CG 4.29Å; F325-R365 HydrophobicContact CD2-CB 4.42Å; F325-R365 HydrophobicContact CD2-CG 4.38Å; F325-R365 HydrophobicContact CE1-CB 4.06Å; F325-R365 HydrophobicContact CE1-CG 3.93Å; F325-R365 HydrophobicContact CE2-CB 4.49Å; F325-R365 HydrophobicContact CE2-CG 4Å; F325-R365 HydrophobicContact CG-CB 4.14Å; F325-R365 HydrophobicContact CZ-CB 4.34Å; F325-R365 HydrophobicContact CZ-CG 3.78Å; F325-F377 HydrophobicContact CE1-CE1 4.09Å; F325-F377 HydrophobicContact CE1-CZ 4.23Å; F325-F377 HydrophobicContact CZ-CE1 4.26Å
326	D	90	Very high	93	Very high	39 Å²	39	52.2 Å²	52.2	21%	0.209	30%	0.3	C	S	.	.			trans	-154.8	119.2	171.8	-168.6	7.5	0	0	0	107	R315 R324 R365 K366	R315-D326 IonicContact CZ-OD2 3.63Å; R315-D326 IonicContact NH1-OD1 2.6Å; R315-D326 IonicContact NH1-OD2 3.57Å; R315-D326 IonicContact NH2-OD1 3.59Å; R315-D326 IonicContact NH2-OD2 2.81Å; R315-D326 PolarHBondContact NH2-OD2 3.07Å; R324-D326 PolarHBondContact O-N 3.37Å; D326-R365 PolarHBondContact N-O 3.2Å; D326-R365 VanDerWaalsContact O-O 3.08Å; D326-K366 CarbonylContact O-C 3.33Å; D326-K366 VanDerWaalsContact O-C 3.31Å; D326-K366 WeakPolarHBondContact O-CA 3.4Å
327	P	86.4	Confident	93.2	Very high	60 Å²	60	49.3 Å²	49.3	39%	0.39	29%	0.287	S	S	.	.	S	Bend	cis	-96.9	-4.7	16.6	36.1	-34.8	0	0	0	116.3	K368	P327-K368 HydrophobicContact CG-CG 3.81Å
328	G	87.6	Confident	93.4	Very high	25 Å²	25	47.8 Å²	47.8	26%	0.258	27%	0.266	S	S	.	.	S	Bend	trans	-67.5	132.9	-175.6	0	0	0	0	0	112.8	N297 C330	N297-G328 VanDerWaalsContact CB-O 3.29Å; N297-G328 WeakPolarHBondContact CB-O 3.34Å; N297-G328 PolarHBondContact ND2-O 3.23Å; G328-C330 PolarHBondContact O-N 2.94Å
329	P	92.4	Very high	93.6	Very high	19 Å²	19	47.3 Å²	47.3	12%	0.123	27%	0.269	C	S	.	.			trans	-76.6	62	178.9	33.3	-35.9	0	0	0	111	L300 S443	L300-P329 HydrophobicContact CD2-CB 4.19Å; P329-S443 WeakPolarHBondContact O-CA 3.34Å; P329-S443 WeakPolarHBondContact O-CB 3.45Å; P329-S443 PolarHBondContact O-OG 3.43Å
330	C	95	Very high	93.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	25%	0.25	C	S	.	.			trans	-113.8	153.4	-175.4	-60.1	0	0	0	0	111.6	N297 L300 F325 G328 F442	N297-C330 PolarHBondContact N-O 3.3Å; L300-C330 VanDerWaalsContact CD1-C 3.46Å; L300-C330 WeakPolarHBondContact CD1-O 3.45Å; F325-C330 HydrophobicContact CB-CB 4.16Å; F325-C330 HydrophobicContact CD1-CB 3.84Å; F325-C330 HydrophobicContact CD2-CB 4.1Å; F325-C330 HydrophobicContact CE1-CB 4.25Å; F325-C330 HydrophobicContact CG-CB 3.75Å; G328-C330 PolarHBondContact O-N 2.94Å; C330-F442 WeakPolarHBondContact CA-O 3.37Å
331	V	97.2	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.1	168.6	57.8	0	0	0	0	108.6	L291 D292 A296 L300 L302 V309 F442	L291-V331 HydrophobicContact CB-CG2 4.31Å; L291-V331 HydrophobicContact CD2-CG1 3.88Å; L291-V331 HydrophobicContact CD2-CG2 4.38Å; D292-V331 WeakPolarHBondContact O-CG2 3.44Å; A296-V331 HydrophobicContact CB-CB 4Å; A296-V331 HydrophobicContact CB-CG2 3.71Å; L300-V331 HydrophobicContact CD1-CB 3.91Å; L300-V331 HydrophobicContact CD1-CG1 4.03Å; L302-V331 HydrophobicContact CD2-CG2 4.45Å; V309-V331 HydrophobicContact CB-CG1 4.36Å; V309-V331 HydrophobicContact CG1-CG1 4.35Å; V309-V331 HydrophobicContact CG2-CG1 4.04Å; V331-F442 HydrophobicContact CG1-CB 4.02Å; V331-F442 PolarHBondContact N-O 3.2Å; V331-F442 PolarHBondContact O-N 3.49Å
332	L	98	Very high	94.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	155.7	176.6	-55.2	-174.2	0	0	0	111.5	D292 T295 F325 C359 R439 P440 L441	D292-L332 WeakPolarHBondContact CB-O 3.48Å; D292-L332 PolarHBondContact N-O 3.25Å; T295-L332 HydrophobicContact CG2-CB 4.19Å; T295-L332 HydrophobicContact CG2-CD1 4.24Å; T295-L332 HydrophobicContact CG2-CG 4.27Å; T295-L332 PolarHBondContact OG1-N 3.25Å; F325-L332 HydrophobicContact CE2-CD1 3.99Å; F325-L332 HydrophobicContact CE2-CD2 3.69Å; F325-L332 HydrophobicContact CE2-CG 3.67Å; F325-L332 HydrophobicContact CZ-CD2 3.99Å; F325-L332 HydrophobicContact CZ-CG 4.39Å; L332-C359 WeakPolarHBondContact CD2-SG 3.37Å; L332-R439 HydrophobicContact CB-CB 4.45Å; L332-R439 HydrophobicContact CD1-CB 4.35Å; L332-P440 CarbonylContact C-O 3.57Å; L332-P440 VanDerWaalsContact CA-O 3.26Å; L332-P440 WeakPolarHBondContact CA-O 3.23Å; L332-L441 HydrophobicContact CD2-CB 4.11Å; L332-L441 HydrophobicContact CD2-CD1 4.14Å; L332-L441 HydrophobicContact CD2-CG 4.13Å
333	G	97.8	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-75.7	140.3	166	0	0	0	0	0	111	T290 E335 R439 P440	T290-G333 CarbonylContact O-C 3.44Å; T290-G333 WeakPolarHBondContact O-CA 3.27Å; G333-E335 PolarHBondContact O-N 3.44Å; G333-R439 VanDerWaalsContact C-NH2 3.3Å; G333-R439 PolarHBondContact O-NE 2.98Å; G333-R439 PolarHBondContact O-NH2 3.47Å; G333-P440 PolarHBondContact N-O 3.17Å
334	Q	96.8	Very high	95	Very high	66 Å²	66	35.2 Å²	35.2	31%	0.308	19%	0.187	S	C	.	.	S	Bend	trans	-56.1	-29.9	-179.9	-170.5	68.3	42.4	0	0	112.7	T290 R336	T290-Q334 PolarHBondContact O-N 2.69Å; T290-Q334 WeakPolarHBondContact OG1-CB 3.39Å; Q334-R336 PolarHBondContact O-NH1 3.49Å
335	E	96	Very high	95.1	Very high	41 Å²	41	34.6 Å²	34.6	19%	0.192	19%	0.185	C	C	.	.			trans	-72.6	143.3	-174	-60.5	68.5	-152.2	0	0	111.3	D288 V289 T290 G333 F337 P440	D288-E335 VanDerWaalsContact O-OE1 3.12Å; V289-E335 VanDerWaalsContact CA-CD 3.48Å; V289-E335 WeakPolarHBondContact CA-OE2 3.28Å; V289-E335 WeakPolarHBondContact CG1-OE2 3.42Å; T290-E335 VanDerWaalsContact N-CD 3.26Å; T290-E335 PolarHBondContact N-OE1 3.29Å; T290-E335 PolarHBondContact N-OE2 2.96Å; T290-E335 PolarHBondContact OG1-OE1 3.34Å; G333-E335 PolarHBondContact O-N 3.44Å; E335-F337 HydrophobicContact CB-CE1 3.98Å; E335-F337 HydrophobicContact CB-CZ 4.11Å; E335-P440 WeakPolarHBondContact O-CD 3.29Å
336	R	96.6	Very high	95.2	Very high	113 Å²	113	34.3 Å²	34.3	43%	0.426	18%	0.184	S	C	.	.			trans	-123.6	109.2	-175.1	-75.4	175.3	178.9	76.5	-3.2	108.4	Q334 E361 T437 R439	Q334-R336 PolarHBondContact O-NH1 3.49Å; R336-E361 IonicContact CZ-OE1 3.2Å; R336-E361 IonicContact NE-OE1 2.75Å; R336-E361 PolarHBondContact NE-OE1 2.94Å; R336-E361 IonicContact NE-OE2 3.54Å; R336-E361 IonicContact NH2-OE1 2.76Å; R336-E361 PolarHBondContact NH2-OE1 2.9Å; R336-T437 HydrophobicContact CB-CG2 3.49Å; R336-T437 VanDerWaalsContact CB-CG2 3.49Å; R336-T437 HydrophobicContact CG-CG2 3.79Å; R336-R439 HydrophobicContact CG-CG 4.29Å
337	F	96.4	Very high	95.5	Very high	14 Å²	14	34.9 Å²	34.9	6%	0.061	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-95.1	119.3	-178.1	-53.4	-48.9	0	0	0	110.2	V289 E335 H342 W344 L408 Y410 L438 P440	V289-F337 HydrophobicContact CG2-CZ 4.31Å; E335-F337 HydrophobicContact CB-CE1 3.98Å; E335-F337 HydrophobicContact CB-CZ 4.11Å; F337-H342 HydrophobicContact CD1-CB 4.4Å; F337-H342 AromaticContact CD1-CD2 3.63Å; F337-H342 AromaticContact CD1-CE1 3.5Å; F337-H342 VanDerWaalsContact CD1-CE1 3.5Å; F337-H342 WeakPolarHBondContact CD1-CE1 3.13Å; F337-H342 AromaticContact CD1-CG 3.57Å; F337-H342 AromaticContact CD1-ND1 3.51Å; F337-H342 AromaticContact CD1-NE2 3.56Å; F337-H342 HydrophobicContact CE1-CB 4.07Å; F337-H342 AromaticContact CE1-CE1 3.84Å; F337-H342 AromaticContact CE1-CG 3.58Å; F337-H342 AromaticContact CE1-ND1 3.39Å; F337-H342 WeakPolarHBondContact CE1-ND1 3.33Å; F337-H342 HydrophobicContact CE2-CB 4.41Å; F337-H342 AromaticContact CG-CD2 3.85Å; F337-H342 HydrophobicContact CZ-CB 4.08Å; F337-W344 HydrophobicContact CE2-CE3 4.38Å; F337-W344 AromaticContact CE2-CH2 3.96Å; F337-W344 HydrophobicContact CE2-CH2 3.96Å; F337-W344 AromaticContact CE2-CZ3 3.7Å; F337-W344 HydrophobicContact CE2-CZ3 3.7Å; F337-W344 HydrophobicContact CZ-CE3 4.41Å; F337-W344 HydrophobicContact CZ-CZ3 4.14Å; F337-L408 HydrophobicContact CB-CD2 3.97Å; F337-L408 HydrophobicContact CD2-CD2 3.66Å; F337-L408 HydrophobicContact CE2-CD2 4.45Å; F337-L408 HydrophobicContact CG-CD2 4.09Å; F337-Y410 WeakPolarHBondContact O-CE2 3.35Å; F337-L438 HydrophobicContact CB-CB 4.45Å; F337-L438 PolarHBondContact N-O 2.81Å; F337-L438 PolarHBondContact O-N 3.43Å; F337-P440 HydrophobicContact CE2-CG 3.61Å; F337-P440 HydrophobicContact CZ-CG 4.02Å
338	T	95.8	Very high	95.9	Very high	81 Å²	81	32.1 Å²	32.1	50%	0.497	17%	0.167	S	C	.	.	S	Bend	trans	-122.3	-6.6	176.7	56.6	0	0	0	0	113.1	Y410 T437	T338-Y410 WeakPolarHBondContact O-CD1 3.36Å; T338-Y410 WeakPolarHBondContact O-CE1 3.12Å; T338-Y410 VanDerWaalsContact O-CZ 3.23Å; T338-T437 HydrophobicContact CG2-CG2 4.16Å
339	S	95.2	Very high	96	Very high	65 Å²	65	31.7 Å²	31.7	46%	0.455	16%	0.162	S	C	.	.	S	Bend	trans	-170.4	167.2	179.5	58.5	0	0	0	0	109.8	H342 E411	S339-H342 PolarHBondContact O-NE2 2.99Å; S339-E411 WeakPolarHBondContact CB-OE1 3.47Å
340	G	95.4	Very high	95.8	Very high	24 Å²	24	36 Å²	36	25%	0.247	18%	0.184	C	C	.	.	S	Bend	trans	84.4	-177.7	172.4	0	0	0	0	0	115.1	Y410 E411	G340-Y410 VanDerWaalsContact O-CB 3.23Å; G340-Y410 WeakPolarHBondContact O-CB 3.5Å; G340-Y410 PolarHBondContact O-N 3.41Å; G340-E411 WeakPolarHBondContact CA-OE2 3.14Å; G340-E411 PolarHBondContact N-OE1 3.24Å; G340-E411 PolarHBondContact N-OE2 3.4Å
341	R	96.9	Very high	95.5	Very high	128 Å²	128	36 Å²	36	48%	0.483	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.6	177.3	-73	170.1	-69	-176.6	-1.1	109.8	F285 F407 L408 D409	F285-R341 HydrophobicContact CB-CB 4.33Å; F285-R341 HydrophobicContact CD1-CB 3.65Å; F285-R341 HydrophobicContact CD2-CB 4.4Å; F285-R341 HydrophobicContact CE1-CB 4.04Å; F285-R341 VanDerWaalsContact CE1-CZ 3.49Å; F285-R341 HydrophobicContact CG-CB 3.86Å; F285-R341 VanDerWaalsContact CZ-CZ 3.47Å; R341-F407 HydrophobicContact CB-CE2 4Å; R341-F407 HydrophobicContact CB-CZ 4.16Å; R341-F407 HydrophobicContact CG-CE2 4.35Å; R341-F407 HydrophobicContact CG-CZ 3.99Å; R341-L408 CarbonylContact C-O 3.54Å; R341-L408 VanDerWaalsContact CA-O 3.28Å; R341-L408 WeakPolarHBondContact CA-O 3.1Å; R341-D409 VanDerWaalsContact CD-OD2 3.3Å; R341-D409 WeakPolarHBondContact CD-OD2 3.45Å; R341-D409 HydrophobicContact CG-CB 3.97Å; R341-D409 VanDerWaalsContact CG-CG 3.49Å; R341-D409 WeakPolarHBondContact CG-OD2 3.24Å
342	H	97.1	Very high	95	Very high	40 Å²	40	41 Å²	41	19%	0.185	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.2	-174.9	-56.9	-79.7	0	0	0	110.2	F337 S339 W344 F407 L408	F337-H342 HydrophobicContact CD1-CB 4.4Å; F337-H342 AromaticContact CD1-CD2 3.63Å; F337-H342 AromaticContact CD1-CE1 3.5Å; F337-H342 VanDerWaalsContact CD1-CE1 3.5Å; F337-H342 WeakPolarHBondContact CD1-CE1 3.13Å; F337-H342 AromaticContact CD1-CG 3.57Å; F337-H342 AromaticContact CD1-ND1 3.51Å; F337-H342 AromaticContact CD1-NE2 3.56Å; F337-H342 HydrophobicContact CE1-CB 4.07Å; F337-H342 AromaticContact CE1-CE1 3.84Å; F337-H342 AromaticContact CE1-CG 3.58Å; F337-H342 AromaticContact CE1-ND1 3.39Å; F337-H342 WeakPolarHBondContact CE1-ND1 3.33Å; F337-H342 HydrophobicContact CE2-CB 4.41Å; F337-H342 AromaticContact CG-CD2 3.85Å; F337-H342 HydrophobicContact CZ-CB 4.08Å; S339-H342 PolarHBondContact O-NE2 2.99Å; H342-W344 HydrophobicContact CB-CE3 4.48Å; H342-W344 HydrophobicContact CB-CZ3 4.16Å; H342-F407 WeakPolarHBondContact O-CA 3.48Å; H342-F407 WeakPolarHBondContact O-CD2 3.35Å; H342-L408 HydrophobicContact CB-CB 4.47Å; H342-L408 PolarHBondContact N-O 3.42Å; H342-L408 PolarHBondContact O-N 3.4Å
343	Y	97.6	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.9	175.9	-176.7	-105.1	0	0	0	110.4	L282 R283 F285 R286 G287 E345 I406 F407	L282-Y343 HydrophobicContact CB-CD2 3.94Å; L282-Y343 HydrophobicContact CB-CE2 4.09Å; L282-Y343 HydrophobicContact CB-CG 4.27Å; L282-Y343 HydrophobicContact CD1-CE2 4.38Å; L282-Y343 WeakPolarHBondContact O-CB 3.38Å; R283-Y343 HydrophobicContact CG-CD1 4.2Å; R283-Y343 HydrophobicContact CG-CE1 3.69Å; F285-Y343 PolarHBondContact O-N 3.4Å; R286-Y343 CarbonylContact C-O 3.5Å; R286-Y343 VanDerWaalsContact CA-O 3.22Å; R286-Y343 WeakPolarHBondContact CA-O 3.06Å; R286-Y343 HydrophobicContact CB-CD1 4.43Å; G287-Y343 PolarHBondContact N-O 3.47Å; Y343-E345 HydrophobicContact CE1-CG 3.62Å; Y343-E345 WeakPolarHBondContact CE1-OE1 3.26Å; Y343-E345 WeakPolarHBondContact OH-CG 3.48Å; Y343-E345 PolarHBondContact OH-OE1 3.43Å; Y343-I406 VanDerWaalsContact CA-O 3.31Å; Y343-I406 WeakPolarHBondContact CA-O 3.26Å; Y343-I406 VanDerWaalsContact CD2-O 3.23Å; Y343-I406 WeakPolarHBondContact CD2-O 3.5Å; Y343-F407 HydrophobicContact CD2-CB 3.93Å; Y343-F407 HydrophobicContact CD2-CD2 4.34Å
344	W	97.6	Very high	94.4	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.1	169.2	63.3	101.1	0	0	0	110.2	V289 F337 H342 V358 G405 I406 L408 P440 F442	V289-W344 HydrophobicContact CB-CB 4.34Å; V289-W344 HydrophobicContact CB-CG 4.39Å; V289-W344 HydrophobicContact CG2-CB 3.85Å; V289-W344 HydrophobicContact CG2-CD2 4.12Å; V289-W344 HydrophobicContact CG2-CE3 4.35Å; V289-W344 HydrophobicContact CG2-CG 3.91Å; F337-W344 HydrophobicContact CE2-CE3 4.38Å; F337-W344 AromaticContact CE2-CH2 3.96Å; F337-W344 HydrophobicContact CE2-CH2 3.96Å; F337-W344 AromaticContact CE2-CZ3 3.7Å; F337-W344 HydrophobicContact CE2-CZ3 3.7Å; F337-W344 HydrophobicContact CZ-CE3 4.41Å; F337-W344 HydrophobicContact CZ-CZ3 4.14Å; H342-W344 HydrophobicContact CB-CE3 4.48Å; H342-W344 HydrophobicContact CB-CZ3 4.16Å; W344-V358 HydrophobicContact CH2-CG1 3.55Å; W344-V358 HydrophobicContact CZ2-CG1 3.9Å; W344-G405 CarbonylContact O-C 3.58Å; W344-G405 WeakPolarHBondContact O-CA 3.09Å; W344-I406 HydrophobicContact CD2-CB 4.17Å; W344-I406 HydrophobicContact CH2-CB 4.22Å; W344-I406 HydrophobicContact CH2-CG2 3.63Å; W344-I406 HydrophobicContact CZ2-CB 3.77Å; W344-I406 HydrophobicContact CZ2-CG1 4.45Å; W344-I406 HydrophobicContact CZ2-CG2 3.47Å; W344-I406 VanDerWaalsContact CZ2-CG2 3.47Å; W344-I406 HydrophobicContact CZ3-CG2 4.3Å; W344-I406 PolarHBondContact N-O 3.37Å; W344-I406 PolarHBondContact O-N 3.38Å; W344-L408 HydrophobicContact CZ3-CB 4.34Å; W344-P440 HydrophobicContact CZ2-CB 3.98Å; W344-P440 HydrophobicContact CZ2-CG 4.27Å; W344-F442 AromaticContact NE1-CE1 3.88Å; W344-F442 AromaticContact NE1-CZ 3.93Å
345	E	97.1	Very high	94.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.4	178.9	-72.9	175.5	-160.1	0	0	109.6	R283 R286 Y343 R403 V404 A420 C455	R283-E345 IonicContact CZ-OE1 3.6Å; R283-E345 IonicContact NE-OE1 3.05Å; R283-E345 PolarHBondContact NE-OE1 3Å; R283-E345 IonicContact NH2-OE1 2.79Å; R283-E345 PolarHBondContact NH2-OE1 2.99Å; R283-E345 VanDerWaalsContact NH2-OE1 3.16Å; R283-E345 IonicContact NH2-OE2 3.63Å; R286-E345 IonicContact CZ-OE1 3.86Å; R286-E345 IonicContact CZ-OE2 2.72Å; R286-E345 IonicContact NH2-OE1 3.44Å; R286-E345 PolarHBondContact NH2-OE1 2.96Å; R286-E345 IonicContact NH2-OE2 3.19Å; R286-E345 PolarHBondContact NH2-OE2 3.28Å; Y343-E345 HydrophobicContact CE1-CG 3.62Å; Y343-E345 WeakPolarHBondContact CE1-OE1 3.26Å; Y343-E345 WeakPolarHBondContact OH-CG 3.48Å; Y343-E345 PolarHBondContact OH-OE1 3.43Å; E345-R403 HydrophobicContact CB-CG 4.18Å; E345-R403 WeakPolarHBondContact OE2-CD 3.37Å; E345-R403 IonicContact OE2-NH1 3.16Å; E345-V404 CarbonylContact C-O 3.58Å; E345-V404 VanDerWaalsContact CA-O 3.31Å; E345-V404 WeakPolarHBondContact CA-O 3.46Å; E345-A420 HydrophobicContact CG-CB 3.92Å; E345-C455 HydrophobicContact CB-CB 3.92Å; E345-C455 WeakPolarHBondContact O-CB 3.33Å; E345-C455 PolarHBondContact O-N 3.01Å
346	V	96.9	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.4	178.3	-172.3	0	0	0	0	108.8	V348 L356 R403 V404 I406 F442 M452 T453	V346-V348 HydrophobicContact CG1-CG1 4.29Å; V346-V348 PolarHBondContact O-N 3.26Å; V346-L356 HydrophobicContact CB-CD1 4.06Å; V346-L356 HydrophobicContact CB-CD2 4.33Å; V346-L356 HydrophobicContact CG1-CD1 4.34Å; V346-L356 HydrophobicContact CG1-CD2 4.11Å; V346-L356 HydrophobicContact CG2-CD1 4.41Å; V346-L356 HydrophobicContact CG2-CD2 4.14Å; V346-R403 WeakPolarHBondContact O-CA 3.24Å; V346-V404 PolarHBondContact N-O 3.42Å; V346-V404 PolarHBondContact O-N 3.06Å; V346-I406 HydrophobicContact CG2-CD1 3.88Å; V346-F442 HydrophobicContact CG2-CD1 4.14Å; V346-F442 HydrophobicContact CG2-CE1 3.67Å; V346-M452 HydrophobicContact CG1-CG 3.34Å; V346-M452 HydrophobicContact CG1-SD 3.98Å; V346-T453 CarbonylContact C-O 3.54Å; V346-T453 WeakPolarHBondContact CA-O 3.47Å
347	E	96.3	Very high	94.3	Very high	52 Å²	52	31 Å²	31	24%	0.243	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.2	168.1	-165.5	72.7	-149.3	0	0	108.7	R403 M452 T453	E347-R403 IonicContact OE2-CZ 3.3Å; E347-R403 IonicContact OE2-NE 3.71Å; E347-R403 PolarHBondContact OE2-NE 2.83Å; E347-R403 IonicContact OE2-NH2 3.62Å; E347-R403 PolarHBondContact OE2-NH2 2.86Å; E347-M452 WeakPolarHBondContact O-CA 3.44Å; E347-T453 PolarHBondContact N-O 2.88Å; E347-T453 PolarHBondContact O-N 2.75Å
348	V	94	Very high	94.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	17%	0.171	C	C	.	.			trans	-107.2	-14.1	176	-62.6	0	0	0	0	111.9	V346 R351 W354 L356 P401 R402 V404 M452	V346-V348 HydrophobicContact CG1-CG1 4.29Å; V346-V348 PolarHBondContact O-N 3.26Å; V348-R351 VanDerWaalsContact O-CB 3.26Å; V348-R351 WeakPolarHBondContact O-CB 2.99Å; V348-R351 VanDerWaalsContact O-CD 3.3Å; V348-R351 WeakPolarHBondContact O-CD 3.36Å; V348-R351 WeakPolarHBondContact O-CG 3.15Å; V348-R351 PolarHBondContact O-N 2.93Å; V348-W354 HydrophobicContact CB-CG 4.44Å; V348-W354 HydrophobicContact CG1-CD2 4.15Å; V348-W354 HydrophobicContact CG1-CG 4.18Å; V348-W354 HydrophobicContact CG2-CZ2 4.45Å; V348-L356 HydrophobicContact CG1-CD1 3.89Å; V348-P401 WeakPolarHBondContact CG2-O 3.38Å; V348-R402 WeakPolarHBondContact CG2-O 3.36Å; V348-R402 PolarHBondContact N-O 2.57Å; V348-V404 HydrophobicContact CG1-CG2 4.41Å; V348-V404 HydrophobicContact CG2-CG2 4.19Å; V348-M452 HydrophobicContact CG1-CE 4.36Å; V348-M452 HydrophobicContact CG1-CG 4.42Å
349	G	89.6	Confident	94.3	Very high	15 Å²	15	26.4 Å²	26.4	16%	0.155	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-137.3	176.6	0	0	0	0	0	112.5	R351 R402	G349-R351 VanDerWaalsContact C-N 3.29Å; G349-R351 PolarHBondContact O-N 3.33Å; G349-R402 PolarHBondContact N-O 3.38Å
350	D	87.7	Confident	94.3	Very high	109 Å²	109	27 Å²	27	58%	0.583	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	25.2	179.2	-60.1	-64	0	0	0	113	T352 R402	D350-T352 PolarHBondContact O-N 3.21Å; D350-R402 IonicContact OD1-CZ 2.73Å; D350-R402 IonicContact OD1-NH1 2.81Å; D350-R402 PolarHBondContact OD1-NH1 3.02Å; D350-R402 IonicContact OD1-NH2 3.61Å; D350-R402 PolarHBondContact OD1-NH2 3.46Å; D350-R402 IonicContact OD2-CZ 3.85Å; D350-R402 IonicContact OD2-NH1 3.96Å; D350-R402 PolarHBondContact OD2-NH1 3.08Å; D350-R402 IonicContact OD2-NH2 2.75Å
351	R	88.8	Confident	94.2	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.011	14%	0.139	C	C	.	.			trans	-65.7	131.5	-179.9	-76.7	174.4	166.9	-86.4	-3.3	111.1	V348 G349 P444 S446 T450	V348-R351 VanDerWaalsContact O-CB 3.26Å; V348-R351 WeakPolarHBondContact O-CB 2.99Å; V348-R351 VanDerWaalsContact O-CD 3.3Å; V348-R351 WeakPolarHBondContact O-CD 3.36Å; V348-R351 WeakPolarHBondContact O-CG 3.15Å; V348-R351 PolarHBondContact O-N 2.93Å; G349-R351 VanDerWaalsContact C-N 3.29Å; G349-R351 PolarHBondContact O-N 3.33Å; R351-P444 VanDerWaalsContact NH1-CB 3.27Å; R351-P444 PolarHBondContact NH1-O 2.95Å; R351-S446 PolarHBondContact NH1-O 2.92Å; R351-T450 PolarHBondContact NE-O 3.43Å; R351-T450 PolarHBondContact NH2-O 3.36Å
352	T	86.8	Confident	93.9	Very high	105 Å²	105	28.7 Å²	28.7	64%	0.644	15%	0.15	S	C	*	.	S	Bend	trans	-82.6	-14.9	178.6	54.8	0	0	0	0	113.5	D350 F382 G384	D350-T352 PolarHBondContact O-N 3.21Å; T352-F382 WeakPolarHBondContact O-CD1 3.42Å; T352-F382 WeakPolarHBondContact O-CE1 3.43Å; T352-G384 PolarHBondContact O-N 3.45Å
353	S	90.9	Very high	93.6	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.042	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143.1	173.6	69.5	0	0	0	0	112.7	F382 S446	S353-F382 CarbonylContact C-O 3.5Å; S353-F382 WeakPolarHBondContact CA-O 3.37Å; S353-F382 WeakPolarHBondContact CB-O 3.47Å; S353-S446 WeakPolarHBondContact OG-CB 3.43Å; S353-S446 PolarHBondContact OG-OG 3.25Å
354	W	93.8	Very high	93.3	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	162.6	172.8	44.9	-95.6	0	0	0	110.8	V348 L356 L380 V381 F382 Y386 V404 S443 L445 M452	V348-W354 HydrophobicContact CB-CG 4.44Å; V348-W354 HydrophobicContact CG1-CD2 4.15Å; V348-W354 HydrophobicContact CG1-CG 4.18Å; V348-W354 HydrophobicContact CG2-CZ2 4.45Å; W354-L356 HydrophobicContact CE3-CB 4.25Å; W354-L356 HydrophobicContact CE3-CD1 3.83Å; W354-L356 HydrophobicContact CE3-CG 3.76Å; W354-L356 HydrophobicContact CZ3-CB 4.19Å; W354-L356 HydrophobicContact CZ3-CD1 3.86Å; W354-L356 HydrophobicContact CZ3-CG 4.06Å; W354-L380 HydrophobicContact CH2-CD2 4.26Å; W354-L380 HydrophobicContact CZ3-CD2 4.44Å; W354-L380 HydrophobicContact CZ3-CG 4.4Å; W354-V381 CarbonylContact O-C 3.31Å; W354-V381 WeakPolarHBondContact O-CA 3.21Å; W354-F382 HydrophobicContact CD2-CB 3.73Å; W354-F382 AromaticContact CE2-CG 4Å; W354-F382 HydrophobicContact CE3-CB 4.18Å; W354-F382 HydrophobicContact CG-CB 4.23Å; W354-F382 HydrophobicContact CH2-CB 4.04Å; W354-F382 HydrophobicContact CZ2-CB 3.56Å; W354-F382 HydrophobicContact CZ2-CG 4.12Å; W354-F382 HydrophobicContact CZ3-CB 4.32Å; W354-F382 PolarHBondContact N-O 3.31Å; W354-F382 AromaticContact NE1-CD1 3.6Å; W354-F382 AromaticContact NE1-CG 3.9Å; W354-F382 PolarHBondContact O-N 3.21Å; W354-Y386 AromaticContact CH2-CE1 3.9Å; W354-Y386 HydrophobicContact CH2-CE1 3.9Å; W354-Y386 HydrophobicContact CZ2-CE1 4.11Å; W354-V404 HydrophobicContact CH2-CG2 3.63Å; W354-V404 HydrophobicContact CZ2-CG2 3.84Å; W354-V404 HydrophobicContact CZ3-CG2 4.31Å; W354-S443 CarbonylContact C-O 3.52Å; W354-S443 WeakPolarHBondContact CA-O 3.43Å; W354-L445 VanDerWaalsContact C-CD1 3.47Å; W354-M452 HydrophobicContact CB-CE 3.4Å; W354-M452 HydrophobicContact CG-CE 4.3Å
355	A	94.3	Very high	93	Very high	1 Å²	1	32 Å²	32	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.7	166.7	0	0	0	0	0	110.9	I379 L380 V381 S443 L445	A355-I379 HydrophobicContact CB-CD1 4.26Å; A355-L380 WeakPolarHBondContact CA-O 3.46Å; A355-V381 HydrophobicContact CB-CB 4.46Å; A355-V381 HydrophobicContact CB-CG2 3.82Å; A355-S443 PolarHBondContact N-O 3.26Å; A355-S443 PolarHBondContact O-N 3Å; A355-L445 HydrophobicContact CB-CD1 4.29Å; A355-L445 HydrophobicContact CB-CG 4.44Å
356	L	96.6	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.6	-178.7	-68.5	175.9	0	0	0	110.1	V346 V348 W354 I379 L380 V404 I406 F417 F442 M452	V346-L356 HydrophobicContact CB-CD1 4.06Å; V346-L356 HydrophobicContact CB-CD2 4.33Å; V346-L356 HydrophobicContact CG1-CD1 4.34Å; V346-L356 HydrophobicContact CG1-CD2 4.11Å; V346-L356 HydrophobicContact CG2-CD1 4.41Å; V346-L356 HydrophobicContact CG2-CD2 4.14Å; V348-L356 HydrophobicContact CG1-CD1 3.89Å; W354-L356 HydrophobicContact CE3-CB 4.25Å; W354-L356 HydrophobicContact CE3-CD1 3.83Å; W354-L356 HydrophobicContact CE3-CG 3.76Å; W354-L356 HydrophobicContact CZ3-CB 4.19Å; W354-L356 HydrophobicContact CZ3-CD1 3.86Å; W354-L356 HydrophobicContact CZ3-CG 4.06Å; L356-I379 CarbonylContact O-C 3.55Å; L356-I379 VanDerWaalsContact O-CA 3.27Å; L356-I379 WeakPolarHBondContact O-CA 3.34Å; L356-L380 PolarHBondContact N-O 3.48Å; L356-L380 PolarHBondContact O-N 3.2Å; L356-V404 HydrophobicContact CD1-CB 3.77Å; L356-V404 HydrophobicContact CD1-CG1 3.98Å; L356-V404 HydrophobicContact CD1-CG2 4.07Å; L356-I406 HydrophobicContact CD1-CD1 4.41Å; L356-F417 WeakPolarHBondContact O-CE1 3.44Å; L356-F442 HydrophobicContact CD2-CD1 3.67Å; L356-F442 HydrophobicContact CD2-CE1 4.4Å; L356-M452 HydrophobicContact CD2-CE 4.2Å; L356-M452 HydrophobicContact CD2-SD 3.6Å; L356-M452 VanDerWaalsContact CD2-SD 3.6Å
357	G	96.1	Very high	91.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-141	170.7	0	0	0	0	0	112.4	W378 L441	G357-W378 WeakPolarHBondContact CA-O 3.47Å; G357-L441 PolarHBondContact N-O 2.94Å; G357-L441 VanDerWaalsContact N-O 3.15Å; G357-L441 PolarHBondContact O-N 3Å
358	V	96.3	Very high	90.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.1	177.5	-61	0	0	0	0	110.6	W344 W378 L415 L438 R439	W344-V358 HydrophobicContact CH2-CG1 3.55Å; W344-V358 HydrophobicContact CZ2-CG1 3.9Å; V358-W378 HydrophobicContact CG2-CB 4.16Å; V358-W378 HydrophobicContact CG2-CE3 4.23Å; V358-W378 PolarHBondContact N-O 2.99Å; V358-W378 PolarHBondContact O-N 2.89Å; V358-L415 HydrophobicContact CG1-CD1 4.2Å; V358-L415 HydrophobicContact CG2-CD1 4.1Å; V358-L415 HydrophobicContact CG2-CD2 3.68Å; V358-L438 HydrophobicContact CG2-CD1 4.13Å; V358-R439 CarbonylContact C-O 3.56Å; V358-R439 VanDerWaalsContact CA-O 3.23Å; V358-R439 WeakPolarHBondContact CA-O 3.36Å
359	C	94.9	Very high	88.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.2	170.1	73	0	0	0	0	111.1	L332 V363 G376 F377 L438 R439 L441	L332-C359 WeakPolarHBondContact CD2-SG 3.37Å; C359-V363 HydrophobicContact CB-CG1 3.98Å; C359-V363 HydrophobicContact CB-CG2 4.36Å; C359-G376 CarbonylContact C-O 3.59Å; C359-G376 WeakPolarHBondContact CA-O 3.46Å; C359-G376 WeakPolarHBondContact CB-O 3.43Å; C359-F377 HydrophobicContact CB-CD1 3.54Å; C359-F377 HydrophobicContact CB-CE1 3.92Å; C359-F377 HydrophobicContact CB-CG 4.28Å; C359-L438 CarbonylContact O-C 3.56Å; C359-L438 WeakPolarHBondContact O-CA 3.45Å; C359-R439 PolarHBondContact N-O 2.99Å; C359-R439 PolarHBondContact O-N 3.34Å; C359-L441 HydrophobicContact CB-CD1 4.07Å
360	R	95	Very high	87.9	Confident	76 Å²	76	55.9 Å²	55.9	29%	0.287	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	150.2	168	-61.6	-174	177.2	168	3.3	110.1	N362 V363 G376 W378 P433 L438	R360-N362 WeakPolarHBondContact CB-OD1 3.47Å; R360-N362 PolarHBondContact O-N 3.13Å; R360-V363 HydrophobicContact CB-CG1 3.96Å; R360-V363 WeakPolarHBondContact O-CG1 3.34Å; R360-V363 WeakPolarHBondContact O-CG2 3.3Å; R360-V363 PolarHBondContact O-N 2.69Å; R360-G376 PolarHBondContact N-O 3.39Å; R360-W378 HydrophobicContact CG-CH2 3.75Å; R360-W378 HydrophobicContact CG-CZ3 3.73Å; R360-P433 PolarHBondContact NH2-O 3.25Å; R360-L438 HydrophobicContact CG-CD2 4.24Å
361	E	93.8	Very high	87.7	Confident	53 Å²	53	53.6 Å²	53.6	25%	0.248	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.4	176.3	-179.9	166.9	-157.5	0	0	112.3	R336 R365 T437 R439	R336-E361 IonicContact CZ-OE1 3.2Å; R336-E361 IonicContact NE-OE1 2.75Å; R336-E361 PolarHBondContact NE-OE1 2.94Å; R336-E361 IonicContact NE-OE2 3.54Å; R336-E361 IonicContact NH2-OE1 2.76Å; R336-E361 PolarHBondContact NH2-OE1 2.9Å; E361-R365 PolarHBondContact O-NH2 3.22Å; E361-T437 HydrophobicContact CB-CG2 4.24Å; E361-T437 PolarHBondContact N-O 3.07Å; E361-T437 WeakPolarHBondContact OE2-CB 3.36Å; E361-T437 VanDerWaalsContact OE2-CG2 3.3Å; E361-T437 WeakPolarHBondContact OE2-CG2 3.44Å; E361-T437 PolarHBondContact OE2-OG1 3.47Å; E361-R439 HydrophobicContact CB-CG 4.38Å
362	N	90.8	Very high	87.5	Confident	135 Å²	135	54.5 Å²	54.5	72%	0.722	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	23.1	-175.8	68	-18.7	0	0	0	114.5	R360	R360-N362 WeakPolarHBondContact CB-OD1 3.47Å; R360-N362 PolarHBondContact O-N 3.13Å
363	V	91.6	Very high	87.5	Confident	13 Å²	13	50.4 Å²	50.4	8%	0.079	26%	0.256	C	S	.	.			trans	-60.9	151.4	175.4	-71.1	0	0	0	0	112.1	F325 C359 R360 R365 F377	F325-V363 HydrophobicContact CZ-CG2 4.01Å; C359-V363 HydrophobicContact CB-CG1 3.98Å; C359-V363 HydrophobicContact CB-CG2 4.36Å; R360-V363 HydrophobicContact CB-CG1 3.96Å; R360-V363 WeakPolarHBondContact O-CG1 3.34Å; R360-V363 WeakPolarHBondContact O-CG2 3.3Å; R360-V363 PolarHBondContact O-N 2.69Å; V363-R365 HydrophobicContact CG2-CG 4.33Å; V363-R365 VanDerWaalsContact O-CG 3.27Å; V363-R365 WeakPolarHBondContact O-CG 2.82Å; V363-R365 PolarHBondContact O-N 2.92Å; V363-F377 HydrophobicContact CB-CE1 4.03Å; V363-F377 HydrophobicContact CB-CE2 3.88Å; V363-F377 HydrophobicContact CB-CZ 3.48Å; V363-F377 VanDerWaalsContact CB-CZ 3.48Å; V363-F377 HydrophobicContact CG1-CD1 4.48Å; V363-F377 HydrophobicContact CG1-CD2 4.3Å; V363-F377 HydrophobicContact CG1-CE1 4.1Å; V363-F377 HydrophobicContact CG1-CE2 3.91Å; V363-F377 HydrophobicContact CG1-CZ 3.81Å; V363-F377 HydrophobicContact CG2-CE1 3.8Å; V363-F377 HydrophobicContact CG2-CZ 3.64Å
364	N	89.8	Confident	87.2	Confident	83 Å²	83	53.6 Å²	53.6	44%	0.444	29%	0.29	S	S	.	.			trans	-69.5	127.4	171.7	-174.9	-11.7	0	0	0	110.2	K366 E367	N364-K366 PolarHBondContact OD1-N 3.37Å; N364-E367 VanDerWaalsContact ND2-CD 3.26Å; N364-E367 WeakPolarHBondContact ND2-CG 3.3Å; N364-E367 PolarHBondContact ND2-OE2 2.94Å; N364-E367 PolarHBondContact OD1-N 3.37Å
365	R	91.6	Very high	86.9	Confident	16 Å²	16	57.7 Å²	57.7	6%	0.06	31%	0.311	C	S	.	.			trans	-115	-2.6	-173.7	-46.8	-174.4	-170.3	167.6	14.2	113.7	E323 F325 D326 E361 V363	E323-R365 WeakPolarHBondContact O-CD 3.47Å; E323-R365 PolarHBondContact O-NH1 3Å; E323-R365 IonicContact OE2-CZ 3.86Å; E323-R365 IonicContact OE2-NH1 2.78Å; E323-R365 PolarHBondContact OE2-NH1 3.17Å; E323-R365 IonicContact OE2-NH2 2.78Å; E323-R365 PolarHBondContact OE2-NH2 3.43Å; F325-R365 WeakPolarHBondContact CA-O 3.46Å; F325-R365 HydrophobicContact CD1-CB 3.94Å; F325-R365 HydrophobicContact CD1-CG 4.29Å; F325-R365 HydrophobicContact CD2-CB 4.42Å; F325-R365 HydrophobicContact CD2-CG 4.38Å; F325-R365 HydrophobicContact CE1-CB 4.06Å; F325-R365 HydrophobicContact CE1-CG 3.93Å; F325-R365 HydrophobicContact CE2-CB 4.49Å; F325-R365 HydrophobicContact CE2-CG 4Å; F325-R365 HydrophobicContact CG-CB 4.14Å; F325-R365 HydrophobicContact CZ-CB 4.34Å; F325-R365 HydrophobicContact CZ-CG 3.78Å; D326-R365 PolarHBondContact N-O 3.2Å; D326-R365 VanDerWaalsContact O-O 3.08Å; E361-R365 PolarHBondContact O-NH2 3.22Å; V363-R365 HydrophobicContact CG2-CG 4.33Å; V363-R365 VanDerWaalsContact O-CG 3.27Å; V363-R365 WeakPolarHBondContact O-CG 2.82Å; V363-R365 PolarHBondContact O-N 2.92Å
366	K	87.5	Confident	86.8	Confident	72 Å²	72	57.7 Å²	57.7	31%	0.313	31%	0.312	S	S	.	.	S	Bend	trans	-114.8	-34.3	-169.7	-65.4	-58.9	-173.9	-171.9	0	114.6	D320 S321 R324 D326 N364	D320-K366 IonicContact OD1-NZ 3.16Å; D320-K366 PolarHBondContact OD1-NZ 3.08Å; S321-K366 WeakPolarHBondContact O-CE 3.33Å; S321-K366 PolarHBondContact O-NZ 3.06Å; R324-K366 WeakPolarHBondContact O-CE 3.3Å; R324-K366 PolarHBondContact O-NZ 3.02Å; D326-K366 CarbonylContact O-C 3.33Å; D326-K366 VanDerWaalsContact O-C 3.31Å; D326-K366 WeakPolarHBondContact O-CA 3.4Å; N364-K366 PolarHBondContact OD1-N 3.37Å
367	E	75.8	Confident	86.5	Confident	140 Å²	140	58 Å²	58	65%	0.654	31%	0.313	S	S	*	.	S	Bend	trans	-82.5	156	-178.8	-63.9	178.7	174.3	0	0	110.9	N364 G369	N364-E367 VanDerWaalsContact ND2-CD 3.26Å; N364-E367 WeakPolarHBondContact ND2-CG 3.3Å; N364-E367 PolarHBondContact ND2-OE2 2.94Å; N364-E367 PolarHBondContact OD1-N 3.37Å; E367-G369 PolarHBondContact O-N 3.44Å
368	K	67.4	Low	86.4	Confident	200 Å²	200	58.2 Å²	58.2	87%	0.87	31%	0.314	S	S	*	.			trans	-72.3	49.9	169.4	-71.4	-177.6	178.3	-179.4	0	111.2	P327	P327-K368 HydrophobicContact CG-CG 3.81Å
369	G	64.1	Low	86.3	Confident	46 Å²	46	58.3 Å²	58.3	47%	0.474	31%	0.314	S	S	.	.			trans	-74.6	148.4	174.9	0	0	0	0	0	111.3	E367	E367-G369 PolarHBondContact O-N 3.44Å
370	E	72.6	Confident	86.2	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	32%	0.315	S	S	.	.			trans	-67.5	134.1	171.7	-167.2	170.1	-152	0	0	109.4	S372 N375 R392	E370-S372 PolarHBondContact O-N 3.31Å; E370-N375 PolarHBondContact O-ND2 3.31Å; E370-R392 IonicContact OE1-CZ 2.68Å; E370-R392 IonicContact OE1-NE 3.55Å; E370-R392 IonicContact OE1-NH2 2.97Å; E370-R392 PolarHBondContact OE1-NH2 3.48Å
371	L	83.2	Confident	86	Confident	61 Å²	61	56.2 Å²	56.2	32%	0.319	31%	0.31	S	S	.	.			trans	-74	67.3	174	-62	178	0	0	0	109.9	F377 I379 S389	L371-F377 HydrophobicContact CB-CB 4.5Å; L371-F377 HydrophobicContact CB-CG 4.42Å; L371-F377 HydrophobicContact CD2-CD1 3.88Å; L371-F377 HydrophobicContact CD2-CD2 4.16Å; L371-F377 HydrophobicContact CD2-CE1 3.7Å; L371-F377 HydrophobicContact CD2-CE2 4Å; L371-F377 HydrophobicContact CD2-CG 4.1Å; L371-F377 HydrophobicContact CD2-CZ 3.75Å; L371-I379 HydrophobicContact CB-CD1 3.75Å; L371-I379 HydrophobicContact CD1-CD1 4.04Å; L371-S389 VanDerWaalsContact O-CB 3.23Å; L371-S389 WeakPolarHBondContact O-CB 3.3Å
372	S	85.7	Confident	85.8	Confident	23 Å²	23	54.2 Å²	54.2	16%	0.161	30%	0.3	C	S	.	.			trans	-104.4	158.2	-175.2	70.7	0	0	0	0	112.3	E370 G374 N375 G376 F377 S389	E370-S372 PolarHBondContact O-N 3.31Å; S372-G374 PolarHBondContact O-N 2.98Å; S372-N375 CarbonylContact O-C 3.52Å; S372-N375 PolarHBondContact O-N 2.98Å; S372-N375 PolarHBondContact OG-N 3.46Å; S372-N375 PolarHBondContact OG-ND2 3.33Å; S372-G376 PolarHBondContact O-N 3.02Å; S372-F377 CarbonylContact C-O 3.51Å; S372-F377 VanDerWaalsContact C-O 3.31Å; S372-F377 PolarHBondContact O-N 3.46Å; S372-S389 WeakPolarHBondContact CA-O 3.37Å
373	A	85.1	Confident	85.5	Confident	19 Å²	19	52.8 Å²	52.8	16%	0.157	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-58.4	-36.5	173.3	0	0	0	0	0	111.8	N375 G376 F377 S389	A373-N375 PolarHBondContact O-N 2.75Å; A373-G376 PolarHBondContact O-N 3.49Å; A373-F377 WeakPolarHBondContact CA-O 3.5Å; A373-F377 PolarHBondContact N-O 3.45Å; A373-S389 PolarHBondContact N-O 3.03Å
374	G	84.9	Confident	84.9	Confident	73 Å²	73	54.3 Å²	54.3	75%	0.753	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.5	175	0	0	0	0	0	113.5	S372 G376	S372-G374 PolarHBondContact O-N 2.98Å; G374-G376 VanDerWaalsContact C-N 3.31Å
375	N	88.2	Confident	84.4	Confident	86 Å²	86	51.1 Å²	51.1	46%	0.46	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-90.2	8.4	176	-68.6	-20.9	0	0	0	113.2	E370 S372 A373 F377	E370-N375 PolarHBondContact O-ND2 3.31Å; S372-N375 CarbonylContact O-C 3.52Å; S372-N375 PolarHBondContact O-N 2.98Å; S372-N375 PolarHBondContact OG-N 3.46Å; S372-N375 PolarHBondContact OG-ND2 3.33Å; A373-N375 PolarHBondContact O-N 2.75Å; N375-F377 HydrophobicContact CB-CD2 3.93Å; N375-F377 HydrophobicContact CB-CE2 4.17Å
376	G	91.1	Very high	84.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.01	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	23.1	177.5	0	0	0	0	0	114.6	C359 R360 S372 A373 G374 W378	C359-G376 CarbonylContact C-O 3.59Å; C359-G376 WeakPolarHBondContact CA-O 3.46Å; C359-G376 WeakPolarHBondContact CB-O 3.43Å; R360-G376 PolarHBondContact N-O 3.39Å; S372-G376 PolarHBondContact O-N 3.02Å; A373-G376 PolarHBondContact O-N 3.49Å; G374-G376 VanDerWaalsContact C-N 3.31Å; G376-W378 WeakPolarHBondContact O-CZ3 3.38Å
377	F	91.9	Very high	84	Confident	7 Å²	7	51 Å²	51	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.8	174.4	-61.9	-87.9	0	0	0	110.8	F325 C359 V363 L371 S372 A373 N375 S389 L441	F325-F377 HydrophobicContact CE1-CE1 4.09Å; F325-F377 HydrophobicContact CE1-CZ 4.23Å; F325-F377 HydrophobicContact CZ-CE1 4.26Å; C359-F377 HydrophobicContact CB-CD1 3.54Å; C359-F377 HydrophobicContact CB-CE1 3.92Å; C359-F377 HydrophobicContact CB-CG 4.28Å; V363-F377 HydrophobicContact CB-CE1 4.03Å; V363-F377 HydrophobicContact CB-CE2 3.88Å; V363-F377 HydrophobicContact CB-CZ 3.48Å; V363-F377 VanDerWaalsContact CB-CZ 3.48Å; V363-F377 HydrophobicContact CG1-CD1 4.48Å; V363-F377 HydrophobicContact CG1-CD2 4.3Å; V363-F377 HydrophobicContact CG1-CE1 4.1Å; V363-F377 HydrophobicContact CG1-CE2 3.91Å; V363-F377 HydrophobicContact CG1-CZ 3.81Å; V363-F377 HydrophobicContact CG2-CE1 3.8Å; V363-F377 HydrophobicContact CG2-CZ 3.64Å; L371-F377 HydrophobicContact CB-CB 4.5Å; L371-F377 HydrophobicContact CB-CG 4.42Å; L371-F377 HydrophobicContact CD2-CD1 3.88Å; L371-F377 HydrophobicContact CD2-CD2 4.16Å; L371-F377 HydrophobicContact CD2-CE1 3.7Å; L371-F377 HydrophobicContact CD2-CE2 4Å; L371-F377 HydrophobicContact CD2-CG 4.1Å; L371-F377 HydrophobicContact CD2-CZ 3.75Å; S372-F377 CarbonylContact C-O 3.51Å; S372-F377 VanDerWaalsContact C-O 3.31Å; S372-F377 PolarHBondContact O-N 3.46Å; A373-F377 WeakPolarHBondContact CA-O 3.5Å; A373-F377 PolarHBondContact N-O 3.45Å; N375-F377 HydrophobicContact CB-CD2 3.93Å; N375-F377 HydrophobicContact CB-CE2 4.17Å; F377-S389 VanDerWaalsContact O-CB 3.25Å; F377-S389 WeakPolarHBondContact O-CB 3.4Å; F377-S389 PolarHBondContact O-OG 2.76Å; F377-L441 HydrophobicContact CD1-CD1 3.62Å; F377-L441 HydrophobicContact CE1-CD1 3.8Å
378	W	93.9	Very high	84.4	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	90	174.8	-58.8	-77.1	0	0	0	108.9	G357 V358 R360 G376 S389 L415 F429 I432 F434 L438	G357-W378 WeakPolarHBondContact CA-O 3.47Å; V358-W378 HydrophobicContact CG2-CB 4.16Å; V358-W378 HydrophobicContact CG2-CE3 4.23Å; V358-W378 PolarHBondContact N-O 2.99Å; V358-W378 PolarHBondContact O-N 2.89Å; R360-W378 HydrophobicContact CG-CH2 3.75Å; R360-W378 HydrophobicContact CG-CZ3 3.73Å; G376-W378 WeakPolarHBondContact O-CZ3 3.38Å; W378-S389 WeakPolarHBondContact CA-OG 3.47Å; W378-L415 HydrophobicContact CB-CD2 3.66Å; W378-F429 HydrophobicContact CB-CD1 4.42Å; W378-F429 HydrophobicContact CB-CE1 4.03Å; W378-F429 HydrophobicContact CB-CE2 4.22Å; W378-F429 HydrophobicContact CB-CZ 3.93Å; W378-F429 AromaticContact CD1-CD1 3.86Å; W378-F429 AromaticContact CD1-CE1 3.8Å; W378-F429 HydrophobicContact CG-CE1 4.34Å; W378-I432 HydrophobicContact CD2-CG2 3.48Å; W378-I432 VanDerWaalsContact CD2-CG2 3.48Å; W378-I432 HydrophobicContact CE3-CG2 4.34Å; W378-I432 HydrophobicContact CG-CG2 3.56Å; W378-I432 HydrophobicContact CZ2-CG2 3.78Å; W378-F434 HydrophobicContact CH2-CB 3.39Å; W378-F434 HydrophobicContact CH2-CG 4.45Å; W378-F434 HydrophobicContact CZ2-CB 3.94Å; W378-F434 HydrophobicContact CZ3-CB 3.85Å; W378-L438 HydrophobicContact CE3-CD2 4.14Å; W378-L438 HydrophobicContact CH2-CD2 4.46Å; W378-L438 HydrophobicContact CZ3-CD2 3.54Å
379	I	93.1	Very high	85.1	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145	-169.9	61.1	170.2	0	0	0	111.3	A355 L356 L371 V381 S389 L441	A355-I379 HydrophobicContact CB-CD1 4.26Å; L356-I379 CarbonylContact O-C 3.55Å; L356-I379 VanDerWaalsContact O-CA 3.27Å; L356-I379 WeakPolarHBondContact O-CA 3.34Å; L371-I379 HydrophobicContact CB-CD1 3.75Å; L371-I379 HydrophobicContact CD1-CD1 4.04Å; I379-V381 HydrophobicContact CD1-CG2 3.8Å; I379-V381 HydrophobicContact CG1-CG2 4.13Å; I379-S389 PolarHBondContact N-OG 3.39Å; I379-S389 VanDerWaalsContact N-OG 3.14Å; I379-S389 PolarHBondContact O-N 3.33Å; I379-L441 HydrophobicContact CG2-CD1 4.44Å; I379-L441 HydrophobicContact CG2-CD2 4Å
380	L	92.6	Very high	85.6	Confident	1 Å²	1	37 Å²	37	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.3	164.6	-176.4	65.7	0	0	0	108.1	W354 A355 L356 Y386 F417 L426 F427	W354-L380 HydrophobicContact CH2-CD2 4.26Å; W354-L380 HydrophobicContact CZ3-CD2 4.44Å; W354-L380 HydrophobicContact CZ3-CG 4.4Å; A355-L380 WeakPolarHBondContact CA-O 3.46Å; L356-L380 PolarHBondContact N-O 3.48Å; L356-L380 PolarHBondContact O-N 3.2Å; L380-Y386 HydrophobicContact CD1-CD1 3.88Å; L380-Y386 HydrophobicContact CD2-CD1 4.06Å; L380-Y386 HydrophobicContact CD2-CE1 4.14Å; L380-Y386 HydrophobicContact CG-CD1 4.01Å; L380-Y386 HydrophobicContact CG-CE1 4.49Å; L380-F417 HydrophobicContact CB-CD1 3.78Å; L380-F417 HydrophobicContact CB-CD2 4.3Å; L380-F417 HydrophobicContact CB-CE1 3.81Å; L380-F417 HydrophobicContact CB-CE2 4.37Å; L380-F417 HydrophobicContact CB-CG 4.03Å; L380-F417 HydrophobicContact CB-CZ 4.11Å; L380-F417 HydrophobicContact CD2-CB 3.73Å; L380-F417 HydrophobicContact CD2-CD1 3.97Å; L380-F417 HydrophobicContact CD2-CG 3.85Å; L380-L426 HydrophobicContact CD2-CB 3.95Å; L380-L426 HydrophobicContact CD2-CD1 4.18Å; L380-F427 HydrophobicContact CD1-CB 3.88Å; L380-F427 HydrophobicContact CD1-CG 4.27Å; L380-F427 HydrophobicContact CD2-CB 4.39Å
381	V	90.9	Very high	85.2	Confident	30 Å²	30	38 Å²	38	18%	0.182	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132	179.9	-178.1	0	0	0	0	108.7	W354 A355 I379 Y386 Y387 L445	W354-V381 CarbonylContact O-C 3.31Å; W354-V381 WeakPolarHBondContact O-CA 3.21Å; A355-V381 HydrophobicContact CB-CB 4.46Å; A355-V381 HydrophobicContact CB-CG2 3.82Å; I379-V381 HydrophobicContact CD1-CG2 3.8Å; I379-V381 HydrophobicContact CG1-CG2 4.13Å; V381-Y386 CarbonylContact O-C 3.6Å; V381-Y386 WeakPolarHBondContact O-CA 3.2Å; V381-Y387 PolarHBondContact N-O 2.85Å; V381-Y387 PolarHBondContact O-N 2.9Å; V381-L445 HydrophobicContact CG1-CD1 3.83Å
382	F	89.1	Confident	84	Confident	11 Å²	11	44.9 Å²	44.9	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.4	167.3	-175	-109.9	0	0	0	108.8	T352 S353 W354 S385 Y386 P400	T352-F382 WeakPolarHBondContact O-CD1 3.42Å; T352-F382 WeakPolarHBondContact O-CE1 3.43Å; S353-F382 CarbonylContact C-O 3.5Å; S353-F382 WeakPolarHBondContact CA-O 3.37Å; S353-F382 WeakPolarHBondContact CB-O 3.47Å; W354-F382 HydrophobicContact CD2-CB 3.73Å; W354-F382 AromaticContact CE2-CG 4Å; W354-F382 HydrophobicContact CE3-CB 4.18Å; W354-F382 HydrophobicContact CG-CB 4.23Å; W354-F382 HydrophobicContact CH2-CB 4.04Å; W354-F382 HydrophobicContact CZ2-CB 3.56Å; W354-F382 HydrophobicContact CZ2-CG 4.12Å; W354-F382 HydrophobicContact CZ3-CB 4.32Å; W354-F382 PolarHBondContact N-O 3.31Å; W354-F382 AromaticContact NE1-CD1 3.6Å; W354-F382 AromaticContact NE1-CG 3.9Å; W354-F382 PolarHBondContact O-N 3.21Å; F382-S385 WeakPolarHBondContact CA-O 3.2Å; F382-Y386 HydrophobicContact CB-CD1 4.47Å; F382-Y386 HydrophobicContact CB-CE1 4.35Å; F382-Y386 HydrophobicContact CD2-CD1 4.08Å; F382-Y386 HydrophobicContact CD2-CD2 4.46Å; F382-Y386 AromaticContact CD2-CE1 3.87Å; F382-Y386 HydrophobicContact CD2-CE1 3.87Å; F382-Y386 HydrophobicContact CD2-CE2 4.25Å; F382-Y386 HydrophobicContact CD2-CG 4.37Å; F382-Y386 AromaticContact CD2-CZ 3.95Å; F382-Y386 HydrophobicContact CE2-CE2 4.41Å; F382-Y386 HydrophobicContact CG-CE1 4.48Å; F382-P400 HydrophobicContact CD1-CB 4.31Å; F382-P400 HydrophobicContact CE1-CB 3.7Å; F382-P400 HydrophobicContact CE1-CG 3.96Å; F382-P400 HydrophobicContact CE2-CB 3.97Å; F382-P400 HydrophobicContact CE2-CG 4.47Å; F382-P400 HydrophobicContact CZ-CB 3.52Å; F382-P400 HydrophobicContact CZ-CG 3.68Å
383	L	86.4	Confident	82.5	Confident	105 Å²	105	45.7 Å²	45.7	55%	0.55	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	67.5	175.1	-176.1	68.1	0	0	0	108.6	S385 Y387	L383-S385 PolarHBondContact N-O 3.32Å; L383-S385 PolarHBondContact O-N 3.09Å; L383-Y387 HydrophobicContact CB-CD2 4.37Å; L383-Y387 HydrophobicContact CB-CE2 4.05Å
384	G	78.6	Confident	81.1	Confident	46 Å²	46	50.3 Å²	50.3	47%	0.474	28%	0.283	S	S	.	.	S	Bend	trans	71.7	-27.9	-168.2	0	0	0	0	0	114.4	T352	T352-G384 PolarHBondContact O-N 3.45Å
385	S	79.6	Confident	79.8	Confident	16 Å²	16	47.8 Å²	47.8	11%	0.112	26%	0.255	C	S	.	.	S	Bend	trans	-136.2	167.9	168.7	-58.9	0	0	0	0	110.2	F382 L383 Y387	F382-S385 WeakPolarHBondContact CA-O 3.2Å; L383-S385 PolarHBondContact N-O 3.32Å; L383-S385 PolarHBondContact O-N 3.09Å; S385-Y387 VanDerWaalsContact O-CD2 3.3Å; S385-Y387 WeakPolarHBondContact O-CD2 3.48Å; S385-Y387 VanDerWaalsContact O-CE2 3.3Å; S385-Y387 WeakPolarHBondContact O-CE2 3.38Å
386	Y	84.8	Confident	78.2	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.5	175.7	-71.2	-75.2	0	0	0	112.2	W354 L380 V381 F382 A395 R398 P401	W354-Y386 AromaticContact CH2-CE1 3.9Å; W354-Y386 HydrophobicContact CH2-CE1 3.9Å; W354-Y386 HydrophobicContact CZ2-CE1 4.11Å; L380-Y386 HydrophobicContact CD1-CD1 3.88Å; L380-Y386 HydrophobicContact CD2-CD1 4.06Å; L380-Y386 HydrophobicContact CD2-CE1 4.14Å; L380-Y386 HydrophobicContact CG-CD1 4.01Å; L380-Y386 HydrophobicContact CG-CE1 4.49Å; V381-Y386 CarbonylContact O-C 3.6Å; V381-Y386 WeakPolarHBondContact O-CA 3.2Å; F382-Y386 HydrophobicContact CB-CD1 4.47Å; F382-Y386 HydrophobicContact CB-CE1 4.35Å; F382-Y386 HydrophobicContact CD2-CD1 4.08Å; F382-Y386 HydrophobicContact CD2-CD2 4.46Å; F382-Y386 AromaticContact CD2-CE1 3.87Å; F382-Y386 HydrophobicContact CD2-CE1 3.87Å; F382-Y386 HydrophobicContact CD2-CE2 4.25Å; F382-Y386 HydrophobicContact CD2-CG 4.37Å; F382-Y386 AromaticContact CD2-CZ 3.95Å; F382-Y386 HydrophobicContact CE2-CE2 4.41Å; F382-Y386 HydrophobicContact CG-CE1 4.48Å; Y386-A395 VanDerWaalsContact CB-CB 3.43Å; Y386-A395 HydrophobicContact CD2-CB 4.36Å; Y386-A395 HydrophobicContact CG-CB 4.23Å; Y386-A395 PolarHBondContact O-N 3.44Å; Y386-R398 HydrophobicContact CE2-CB 4.21Å; Y386-P401 WeakPolarHBondContact OH-CD 3.42Å
387	Y	84.7	Confident	76.4	Confident	82 Å²	82	48.8 Å²	48.8	32%	0.322	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.3	173.5	-53.9	-91.1	0	0	0	109	V381 L383 S385 L394	V381-Y387 PolarHBondContact N-O 2.85Å; V381-Y387 PolarHBondContact O-N 2.9Å; L383-Y387 HydrophobicContact CB-CD2 4.37Å; L383-Y387 HydrophobicContact CB-CE2 4.05Å; S385-Y387 VanDerWaalsContact O-CD2 3.3Å; S385-Y387 WeakPolarHBondContact O-CD2 3.48Å; S385-Y387 VanDerWaalsContact O-CE2 3.3Å; S385-Y387 WeakPolarHBondContact O-CE2 3.38Å; Y387-L394 HydrophobicContact CE1-CD2 4.28Å; Y387-L394 HydrophobicContact CE1-CG 4.41Å
388	N	84.6	Confident	75.1	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	162.9	174.2	73.3	81.8	0	0	0	110.4	S390 E391 F427 F429	N388-S390 WeakPolarHBondContact OD1-CB 3.47Å; N388-S390 PolarHBondContact OD1-N 2.95Å; N388-E391 VanDerWaalsContact CG-O 3.28Å; N388-E391 PolarHBondContact ND2-O 3.4Å; N388-E391 VanDerWaalsContact ND2-O 3.11Å; N388-E391 VanDerWaalsContact O-O 3.12Å; N388-E391 PolarHBondContact OD1-N 3.48Å; N388-E391 PolarHBondContact OD1-O 2.86Å; N388-F427 HydrophobicContact CB-CD1 4.2Å; N388-F427 HydrophobicContact CB-CE1 3.64Å; N388-F427 HydrophobicContact CB-CE2 4.06Å; N388-F427 HydrophobicContact CB-CZ 3.57Å; N388-F429 HydrophobicContact CB-CZ 4.49Å
389	S	81.9	Confident	73.9	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.112	31%	0.31	C	S	.	.	S	Bend	trans	-83.8	-7.6	-175.4	59.4	0	0	0	0	115	L371 S372 A373 F377 W378 I379	L371-S389 VanDerWaalsContact O-CB 3.23Å; L371-S389 WeakPolarHBondContact O-CB 3.3Å; S372-S389 WeakPolarHBondContact CA-O 3.37Å; A373-S389 PolarHBondContact N-O 3.03Å; F377-S389 VanDerWaalsContact O-CB 3.25Å; F377-S389 WeakPolarHBondContact O-CB 3.4Å; F377-S389 PolarHBondContact O-OG 2.76Å; W378-S389 WeakPolarHBondContact CA-OG 3.47Å; I379-S389 PolarHBondContact N-OG 3.39Å; I379-S389 VanDerWaalsContact N-OG 3.14Å; I379-S389 PolarHBondContact O-N 3.33Å
390	S	74.3	Confident	73.1	Confident	58 Å²	58	61 Å²	61	41%	0.406	33%	0.326	S	S	.	.	S	Bend	trans	-90.3	-42.9	179.3	-61.3	0	0	0	0	112.5	N388 F429	N388-S390 WeakPolarHBondContact OD1-CB 3.47Å; N388-S390 PolarHBondContact OD1-N 2.95Å; S390-F429 VanDerWaalsContact OG-CD1 3.24Å; S390-F429 WeakPolarHBondContact OG-CD1 3.44Å; S390-F429 WeakPolarHBondContact OG-CE1 3.39Å
391	E	64.6	Low	72.8	Confident	135 Å²	135	61.5 Å²	61.5	63%	0.631	33%	0.329	S	S	*	.			trans	-136.2	137.8	179.2	-67.3	180	178.3	0	0	107.1	N388 A393	N388-E391 VanDerWaalsContact CG-O 3.28Å; N388-E391 PolarHBondContact ND2-O 3.4Å; N388-E391 VanDerWaalsContact ND2-O 3.11Å; N388-E391 VanDerWaalsContact O-O 3.12Å; N388-E391 PolarHBondContact OD1-N 3.48Å; N388-E391 PolarHBondContact OD1-O 2.86Å; E391-A393 HydrophobicContact CB-CB 3.97Å; E391-A393 PolarHBondContact O-N 3.27Å
392	R	57.5	Low	72.8	Confident	206 Å²	206	66 Å²	66	78%	0.777	34%	0.343	S	S	*	.			trans	-68.7	33.1	167	-65.9	-174.9	-177.7	179.9	1.6	111.6	E370 L394	E370-R392 IonicContact OE1-CZ 2.68Å; E370-R392 IonicContact OE1-NE 3.55Å; E370-R392 IonicContact OE1-NH2 2.97Å; E370-R392 PolarHBondContact OE1-NH2 3.48Å; R392-L394 PolarHBondContact O-N 3.36Å
393	A	54	Low	73.1	Confident	40 Å²	40	69.6 Å²	69.6	33%	0.331	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-72.5	123.8	174.1	0	0	0	0	0	108.3	E391 A395	E391-A393 HydrophobicContact CB-CB 3.97Å; E391-A393 PolarHBondContact O-N 3.27Å; A393-A395 PolarHBondContact O-N 2.73Å
394	L	57.1	Low	73.5	Confident	117 Å²	117	64.6 Å²	64.6	61%	0.613	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-65.3	120.3	167.1	-73.5	123.5	0	0	0	107.6	Y387 R392	Y387-L394 HydrophobicContact CE1-CD2 4.28Å; Y387-L394 HydrophobicContact CE1-CG 4.41Å; R392-L394 PolarHBondContact O-N 3.36Å
395	A	56.4	Low	74.3	Confident	20 Å²	20	62.4 Å²	62.4	17%	0.165	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-70	147.7	155.1	0	0	0	0	0	107.4	Y386 A393 L397	Y386-A395 VanDerWaalsContact CB-CB 3.43Å; Y386-A395 HydrophobicContact CD2-CB 4.36Å; Y386-A395 HydrophobicContact CG-CB 4.23Å; Y386-A395 PolarHBondContact O-N 3.44Å; A393-A395 PolarHBondContact O-N 2.73Å; A395-L397 PolarHBondContact O-N 3.45Å
396	P	55	Low	75.2	Confident	29 Å²	29	61.6 Å²	61.6	19%	0.188	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-51.5	144.5	-179	-16.4	23.2	0	0	0	110.8	L269 R398	L269-P396 HydrophobicContact CB-CB 4.05Å; L269-P396 HydrophobicContact CB-CG 3.85Å; L269-P396 HydrophobicContact CD1-CG 3.59Å; L269-P396 HydrophobicContact CG-CB 4.18Å; L269-P396 HydrophobicContact CG-CG 3.68Å; P396-R398 PolarHBondContact O-N 3.31Å
397	L	53.4	Low	75.8	Confident	79 Å²	79	62.2 Å²	62.2	41%	0.414	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-53.3	126.2	168.5	-80.5	127.9	0	0	0	108.3	E268 A395	E268-L397 HydrophobicContact CG-CB 3.84Å; E268-L397 HydrophobicContact CG-CD1 4.44Å; E268-L397 WeakPolarHBondContact OE1-CB 3.23Å; A395-L397 PolarHBondContact O-N 3.45Å
398	R	65	Low	76.4	Confident	60 Å²	60	58.3 Å²	58.3	23%	0.226	29%	0.289	C	S	.	.			trans	-146	152.8	-179.2	-73.3	-179.7	178.3	176.2	1.4	107.6	Y386 P396 L425	Y386-R398 HydrophobicContact CE2-CB 4.21Å; P396-R398 PolarHBondContact O-N 3.31Å; R398-L425 PolarHBondContact NH1-O 3.11Å
399	D	68.6	Low	76.9	Confident	156 Å²	156	58.9 Å²	58.9	83%	0.834	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-57.6	129.1	169.5	-71.6	-37.4	0	0	0	109.8
400	P	76.2	Confident	77.5	Confident	55 Å²	55	60.1 Å²	60.1	36%	0.357	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-66.4	131.9	177.8	24	-30.4	0	0	0	110	F382	F382-P400 HydrophobicContact CD1-CB 4.31Å; F382-P400 HydrophobicContact CE1-CB 3.7Å; F382-P400 HydrophobicContact CE1-CG 3.96Å; F382-P400 HydrophobicContact CE2-CB 3.97Å; F382-P400 HydrophobicContact CE2-CG 4.47Å; F382-P400 HydrophobicContact CZ-CB 3.52Å; F382-P400 HydrophobicContact CZ-CG 3.68Å
401	P	86.1	Confident	78.4	Confident	11 Å²	11	63.1 Å²	63.1	7%	0.071	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-70.2	143.5	174.2	33.2	-35.8	0	0	0	108.5	V348 Y386 R403 V404 S419 L426	V348-P401 WeakPolarHBondContact CG2-O 3.38Å; Y386-P401 WeakPolarHBondContact OH-CD 3.42Å; P401-R403 PolarHBondContact O-N 3.4Å; P401-V404 HydrophobicContact CG-CG2 3.87Å; P401-S419 WeakPolarHBondContact CB-OG 3.24Å; P401-L426 HydrophobicContact CG-CD1 3.89Å; P401-L426 HydrophobicContact CG-CD2 4.18Å
402	R	91.4	Very high	79.8	Confident	125 Å²	125	59.8 Å²	59.8	47%	0.472	30%	0.298	S	S	.	.	S	Bend	trans	-68.1	-22.9	172.3	-66.2	179.1	175.8	-82.5	-12.6	112.1	V348 G349 D350	V348-R402 WeakPolarHBondContact CG2-O 3.36Å; V348-R402 PolarHBondContact N-O 2.57Å; G349-R402 PolarHBondContact N-O 3.38Å; D350-R402 IonicContact OD1-CZ 2.73Å; D350-R402 IonicContact OD1-NH1 2.81Å; D350-R402 PolarHBondContact OD1-NH1 3.02Å; D350-R402 IonicContact OD1-NH2 3.61Å; D350-R402 PolarHBondContact OD1-NH2 3.46Å; D350-R402 IonicContact OD2-CZ 3.85Å; D350-R402 IonicContact OD2-NH1 3.96Å; D350-R402 PolarHBondContact OD2-NH1 3.08Å; D350-R402 IonicContact OD2-NH2 2.75Å
403	R	94.3	Very high	81.4	Confident	85 Å²	85	56.7 Å²	56.7	32%	0.321	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.7	-179.9	-167.5	-179.2	-64.3	161.1	6.3	112.1	E345 V346 E347 P401 A420	E345-R403 HydrophobicContact CB-CG 4.18Å; E345-R403 WeakPolarHBondContact OE2-CD 3.37Å; E345-R403 IonicContact OE2-NH1 3.16Å; V346-R403 WeakPolarHBondContact O-CA 3.24Å; E347-R403 IonicContact OE2-CZ 3.3Å; E347-R403 IonicContact OE2-NE 3.71Å; E347-R403 PolarHBondContact OE2-NE 2.83Å; E347-R403 IonicContact OE2-NH2 3.62Å; E347-R403 PolarHBondContact OE2-NH2 2.86Å; P401-R403 PolarHBondContact O-N 3.4Å; R403-A420 HydrophobicContact CB-CB 4.02Å; R403-A420 HydrophobicContact CG-CB 3.7Å; R403-A420 PolarHBondContact O-N 2.93Å
404	V	95.5	Very high	83.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.2	179.6	-179.2	0	0	0	0	109.3	E345 V346 V348 W354 L356 P401 I406 F417 Y418 L426	E345-V404 CarbonylContact C-O 3.58Å; E345-V404 VanDerWaalsContact CA-O 3.31Å; E345-V404 WeakPolarHBondContact CA-O 3.46Å; V346-V404 PolarHBondContact N-O 3.42Å; V346-V404 PolarHBondContact O-N 3.06Å; V348-V404 HydrophobicContact CG1-CG2 4.41Å; V348-V404 HydrophobicContact CG2-CG2 4.19Å; W354-V404 HydrophobicContact CH2-CG2 3.63Å; W354-V404 HydrophobicContact CZ2-CG2 3.84Å; W354-V404 HydrophobicContact CZ3-CG2 4.31Å; L356-V404 HydrophobicContact CD1-CB 3.77Å; L356-V404 HydrophobicContact CD1-CG1 3.98Å; L356-V404 HydrophobicContact CD1-CG2 4.07Å; P401-V404 HydrophobicContact CG-CG2 3.87Å; V404-I406 HydrophobicContact CG1-CD1 4.23Å; V404-I406 HydrophobicContact CG1-CG1 4.37Å; V404-F417 HydrophobicContact CG1-CD1 4.28Å; V404-Y418 CarbonylContact C-O 3.51Å; V404-Y418 WeakPolarHBondContact CA-O 3.39Å; V404-L426 HydrophobicContact CG1-CD1 4.03Å; V404-L426 HydrophobicContact CG2-CD1 4.2Å
405	G	96.4	Very high	85.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.2	168.7	0	0	0	0	0	110.6	W344 F417 Y418	W344-G405 CarbonylContact O-C 3.58Å; W344-G405 WeakPolarHBondContact O-CA 3.09Å; G405-F417 CarbonylContact O-C 3.52Å; G405-F417 WeakPolarHBondContact O-CA 3.42Å; G405-Y418 PolarHBondContact N-O 3.38Å; G405-Y418 PolarHBondContact O-N 2.96Å
406	I	97.5	Very high	87	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.3	176.1	-56	96.9	0	0	0	108	Y343 W344 V346 L356 V404 L415 F417	Y343-I406 VanDerWaalsContact CA-O 3.31Å; Y343-I406 WeakPolarHBondContact CA-O 3.26Å; Y343-I406 VanDerWaalsContact CD2-O 3.23Å; Y343-I406 WeakPolarHBondContact CD2-O 3.5Å; W344-I406 HydrophobicContact CD2-CB 4.17Å; W344-I406 HydrophobicContact CH2-CB 4.22Å; W344-I406 HydrophobicContact CH2-CG2 3.63Å; W344-I406 HydrophobicContact CZ2-CB 3.77Å; W344-I406 HydrophobicContact CZ2-CG1 4.45Å; W344-I406 HydrophobicContact CZ2-CG2 3.47Å; W344-I406 VanDerWaalsContact CZ2-CG2 3.47Å; W344-I406 HydrophobicContact CZ3-CG2 4.3Å; W344-I406 PolarHBondContact N-O 3.37Å; W344-I406 PolarHBondContact O-N 3.38Å; V346-I406 HydrophobicContact CG2-CD1 3.88Å; L356-I406 HydrophobicContact CD1-CD1 4.41Å; V404-I406 HydrophobicContact CG1-CD1 4.23Å; V404-I406 HydrophobicContact CG1-CG1 4.37Å; I406-L415 HydrophobicContact CG2-CD1 3.76Å; I406-F417 HydrophobicContact CG1-CD1 3.76Å; I406-F417 HydrophobicContact CG1-CE1 3.75Å; I406-F417 HydrophobicContact CG2-CD1 4.47Å; I406-F417 HydrophobicContact CG2-CE1 4.08Å; I406-F417 HydrophobicContact CG2-CZ 4.36Å
407	F	97.4	Very high	88.9	Confident	15 Å²	15	49.5 Å²	49.5	7%	0.066	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.2	176.3	-179.8	-116.1	0	0	0	110.4	L282 F285 R341 H342 Y343 D409 L415 S416 Y418	L282-F407 HydrophobicContact CD1-CB 4.14Å; L282-F407 HydrophobicContact CD1-CG 4.24Å; L282-F407 HydrophobicContact CD2-CD1 3.92Å; L282-F407 HydrophobicContact CD2-CD2 3.81Å; L282-F407 HydrophobicContact CD2-CE1 3.97Å; L282-F407 HydrophobicContact CD2-CE2 3.85Å; L282-F407 HydrophobicContact CD2-CG 3.84Å; L282-F407 HydrophobicContact CD2-CZ 3.94Å; F285-F407 HydrophobicContact CB-CE2 4.38Å; F285-F407 AromaticContact CD2-CE2 3.79Å; F285-F407 HydrophobicContact CD2-CE2 3.79Å; F285-F407 HydrophobicContact CD2-CZ 4.44Å; F285-F407 HydrophobicContact CE2-CE2 4.46Å; F285-F407 HydrophobicContact CG-CE2 4.25Å; R341-F407 HydrophobicContact CB-CE2 4Å; R341-F407 HydrophobicContact CB-CZ 4.16Å; R341-F407 HydrophobicContact CG-CE2 4.35Å; R341-F407 HydrophobicContact CG-CZ 3.99Å; H342-F407 WeakPolarHBondContact O-CA 3.48Å; H342-F407 WeakPolarHBondContact O-CD2 3.35Å; Y343-F407 HydrophobicContact CD2-CB 3.93Å; Y343-F407 HydrophobicContact CD2-CD2 4.34Å; F407-D409 HydrophobicContact CE1-CB 3.95Å; F407-D409 HydrophobicContact CZ-CB 4.07Å; F407-L415 WeakPolarHBondContact O-CA 3.39Å; F407-S416 PolarHBondContact N-O 2.96Å; F407-S416 PolarHBondContact O-N 3.22Å; F407-Y418 HydrophobicContact CB-CE2 4.07Å
408	L	96.6	Very high	90.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.5	174.2	173.5	66.5	0	0	0	108.8	F337 R341 H342 W344 H414 L415 F434 L438	F337-L408 HydrophobicContact CB-CD2 3.97Å; F337-L408 HydrophobicContact CD2-CD2 3.66Å; F337-L408 HydrophobicContact CE2-CD2 4.45Å; F337-L408 HydrophobicContact CG-CD2 4.09Å; R341-L408 CarbonylContact C-O 3.54Å; R341-L408 VanDerWaalsContact CA-O 3.28Å; R341-L408 WeakPolarHBondContact CA-O 3.1Å; H342-L408 HydrophobicContact CB-CB 4.47Å; H342-L408 PolarHBondContact N-O 3.42Å; H342-L408 PolarHBondContact O-N 3.4Å; W344-L408 HydrophobicContact CZ3-CB 4.34Å; L408-H414 WeakPolarHBondContact CA-O 3.39Å; L408-L415 HydrophobicContact CB-CD1 4.17Å; L408-L415 HydrophobicContact CD1-CD1 4.29Å; L408-F434 HydrophobicContact CD1-CE1 4.34Å; L408-F434 HydrophobicContact CD1-CZ 4.02Å; L408-L438 HydrophobicContact CD1-CD1 3.98Å; L408-L438 HydrophobicContact CD2-CD1 4.07Å
409	D	95.6	Very high	92.1	Very high	30 Å²	30	43.8 Å²	43.8	16%	0.16	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	104.1	163.1	-169.6	-39.4	0	0	0	107.7	R341 F407 E411 A412 R413 H414	R341-D409 VanDerWaalsContact CD-OD2 3.3Å; R341-D409 WeakPolarHBondContact CD-OD2 3.45Å; R341-D409 HydrophobicContact CG-CB 3.97Å; R341-D409 VanDerWaalsContact CG-CG 3.49Å; R341-D409 WeakPolarHBondContact CG-OD2 3.24Å; F407-D409 HydrophobicContact CE1-CB 3.95Å; F407-D409 HydrophobicContact CZ-CB 4.07Å; D409-E411 PolarHBondContact OD1-N 3.3Å; D409-A412 HydrophobicContact CB-CB 4.01Å; D409-A412 VanDerWaalsContact CG-CB 3.48Å; D409-A412 WeakPolarHBondContact OD1-CB 3.28Å; D409-A412 PolarHBondContact OD1-N 3.09Å; D409-R413 WeakPolarHBondContact O-CA 3.43Å; D409-R413 PolarHBondContact O-N 3.17Å; D409-H414 HydrophobicContact CB-CB 4.13Å; D409-H414 PolarHBondContact N-O 3.45Å; D409-H414 PolarHBondContact O-N 2.85Å
410	Y	94.6	Very high	93.1	Very high	42 Å²	42	36.8 Å²	36.8	17%	0.165	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-44.7	-172.3	-171.9	-78.2	0	0	0	111.1	F337 T338 G340 R413 F434 G436	F337-Y410 WeakPolarHBondContact O-CE2 3.35Å; T338-Y410 WeakPolarHBondContact O-CD1 3.36Å; T338-Y410 WeakPolarHBondContact O-CE1 3.12Å; T338-Y410 VanDerWaalsContact O-CZ 3.23Å; G340-Y410 VanDerWaalsContact O-CB 3.23Å; G340-Y410 WeakPolarHBondContact O-CB 3.5Å; G340-Y410 PolarHBondContact O-N 3.41Å; Y410-R413 PolarHBondContact O-N 2.88Å; Y410-F434 HydrophobicContact CD1-CE2 4.44Å; Y410-F434 AromaticContact CD2-CE2 3.57Å; Y410-F434 HydrophobicContact CD2-CE2 3.57Å; Y410-F434 HydrophobicContact CD2-CZ 4.26Å; Y410-F434 HydrophobicContact CE1-CE2 4.4Å; Y410-F434 HydrophobicContact CE2-CD2 4.06Å; Y410-F434 AromaticContact CE2-CE2 3.53Å; Y410-F434 HydrophobicContact CE2-CE2 3.53Å; Y410-F434 HydrophobicContact CG-CE2 4.04Å; Y410-F434 AromaticContact CZ-CE2 3.97Å; Y410-G436 PolarHBondContact OH-O 3.35Å
411	E	93.5	Very high	93.6	Very high	120 Å²	120	38.8 Å²	38.8	56%	0.561	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-40.8	179.3	-70.7	76.5	-167.4	0	0	112.2	S339 G340 D409 R413	S339-E411 WeakPolarHBondContact CB-OE1 3.47Å; G340-E411 WeakPolarHBondContact CA-OE2 3.14Å; G340-E411 PolarHBondContact N-OE1 3.24Å; G340-E411 PolarHBondContact N-OE2 3.4Å; D409-E411 PolarHBondContact OD1-N 3.3Å; E411-R413 VanDerWaalsContact C-N 3.26Å; E411-R413 PolarHBondContact O-N 3.21Å
412	A	92.8	Very high	93.7	Very high	66 Å²	66	42 Å²	42	55%	0.545	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.3	176.8	0	0	0	0	0	113.6	D409 H414	D409-A412 HydrophobicContact CB-CB 4.01Å; D409-A412 VanDerWaalsContact CG-CB 3.48Å; D409-A412 WeakPolarHBondContact OD1-CB 3.28Å; D409-A412 PolarHBondContact OD1-N 3.09Å; A412-H414 HydrophobicContact CB-CB 4.26Å; A412-H414 PolarHBondContact O-N 2.91Å
413	R	92.9	Very high	93.6	Very high	140 Å²	140	36.6 Å²	36.6	53%	0.528	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	40.7	-174	-60.1	-178.4	179.2	175.2	1.2	112.9	D409 Y410 E411 I432 F434	D409-R413 WeakPolarHBondContact O-CA 3.43Å; D409-R413 PolarHBondContact O-N 3.17Å; Y410-R413 PolarHBondContact O-N 2.88Å; E411-R413 VanDerWaalsContact C-N 3.26Å; E411-R413 PolarHBondContact O-N 3.21Å; R413-I432 WeakPolarHBondContact CD-O 3.24Å; R413-I432 WeakPolarHBondContact O-CG1 3.25Å; R413-F434 HydrophobicContact CB-CE1 4.31Å; R413-F434 HydrophobicContact CB-CZ 4.46Å; R413-F434 HydrophobicContact CG-CZ 4.44Å
414	H	93.4	Very high	93.4	Very high	56 Å²	56	33 Å²	33	26%	0.259	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.3	-174.1	-178.4	90.3	0	0	0	110.1	L408 D409 A412 S416 I428	L408-H414 WeakPolarHBondContact CA-O 3.39Å; D409-H414 HydrophobicContact CB-CB 4.13Å; D409-H414 PolarHBondContact N-O 3.45Å; D409-H414 PolarHBondContact O-N 2.85Å; A412-H414 HydrophobicContact CB-CB 4.26Å; A412-H414 PolarHBondContact O-N 2.91Å; H414-S416 PolarHBondContact CD2-OG 3.46Å; H414-S416 WeakPolarHBondContact NE2-CB 3.5Å; H414-S416 PolarHBondContact NE2-OG 3.02Å; H414-S416 VanDerWaalsContact NE2-OG 3.08Å; H414-I428 WeakPolarHBondContact CE1-CG2 3.39Å
415	L	95.3	Very high	93.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.1	173	-175.8	73.2	0	0	0	108.8	V358 W378 I406 F407 L408 F417 F429 I432	V358-L415 HydrophobicContact CG1-CD1 4.2Å; V358-L415 HydrophobicContact CG2-CD1 4.1Å; V358-L415 HydrophobicContact CG2-CD2 3.68Å; W378-L415 HydrophobicContact CB-CD2 3.66Å; I406-L415 HydrophobicContact CG2-CD1 3.76Å; F407-L415 WeakPolarHBondContact O-CA 3.39Å; L408-L415 HydrophobicContact CB-CD1 4.17Å; L408-L415 HydrophobicContact CD1-CD1 4.29Å; L415-F417 HydrophobicContact CD2-CE2 3.7Å; L415-F417 HydrophobicContact CD2-CZ 3.81Å; L415-F417 HydrophobicContact CG-CE2 3.69Å; L415-F417 HydrophobicContact CG-CZ 4.05Å; L415-F429 HydrophobicContact CB-CD2 4.17Å; L415-F429 HydrophobicContact CD2-CD2 3.77Å; L415-F429 HydrophobicContact CD2-CE2 3.87Å; L415-F429 HydrophobicContact CG-CD2 4.22Å; L415-F429 PolarHBondContact O-N 3.36Å; L415-I432 HydrophobicContact CB-CD1 3.17Å; L415-I432 HydrophobicContact CD2-CD1 4.31Å; L415-I432 HydrophobicContact CG-CD1 4.39Å
416	S	94.6	Very high	92.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.5	-177.9	46.1	0	0	0	0	112	F407 H414 Y418 F427	F407-S416 PolarHBondContact N-O 2.96Å; F407-S416 PolarHBondContact O-N 3.22Å; H414-S416 PolarHBondContact CD2-OG 3.46Å; H414-S416 WeakPolarHBondContact NE2-CB 3.5Å; H414-S416 PolarHBondContact NE2-OG 3.02Å; H414-S416 VanDerWaalsContact NE2-OG 3.08Å; S416-Y418 VanDerWaalsContact OG-CE2 3.25Å; S416-Y418 WeakPolarHBondContact OG-CE2 3.43Å; S416-Y418 PolarHBondContact OG-OH 2.98Å; S416-F427 CarbonylContact C-O 3.48Å; S416-F427 WeakPolarHBondContact CA-O 3.44Å
417	F	94.9	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.4	-174.5	-62.8	-99.9	0	0	0	108.7	L356 L380 V404 G405 I406 L415 L425 L426 F427 F429	L356-F417 WeakPolarHBondContact O-CE1 3.44Å; L380-F417 HydrophobicContact CB-CD1 3.78Å; L380-F417 HydrophobicContact CB-CD2 4.3Å; L380-F417 HydrophobicContact CB-CE1 3.81Å; L380-F417 HydrophobicContact CB-CE2 4.37Å; L380-F417 HydrophobicContact CB-CG 4.03Å; L380-F417 HydrophobicContact CB-CZ 4.11Å; L380-F417 HydrophobicContact CD2-CB 3.73Å; L380-F417 HydrophobicContact CD2-CD1 3.97Å; L380-F417 HydrophobicContact CD2-CG 3.85Å; V404-F417 HydrophobicContact CG1-CD1 4.28Å; G405-F417 CarbonylContact O-C 3.52Å; G405-F417 WeakPolarHBondContact O-CA 3.42Å; I406-F417 HydrophobicContact CG1-CD1 3.76Å; I406-F417 HydrophobicContact CG1-CE1 3.75Å; I406-F417 HydrophobicContact CG2-CD1 4.47Å; I406-F417 HydrophobicContact CG2-CE1 4.08Å; I406-F417 HydrophobicContact CG2-CZ 4.36Å; L415-F417 HydrophobicContact CD2-CE2 3.7Å; L415-F417 HydrophobicContact CD2-CZ 3.81Å; L415-F417 HydrophobicContact CG-CE2 3.69Å; L415-F417 HydrophobicContact CG-CZ 4.05Å; F417-L425 WeakPolarHBondContact O-CD1 3.26Å; F417-L426 HydrophobicContact CB-CB 4.07Å; F417-L426 HydrophobicContact CB-CD1 4.45Å; F417-L426 WeakPolarHBondContact O-CB 3.48Å; F417-L426 PolarHBondContact O-N 3.48Å; F417-F427 HydrophobicContact CB-CB 4.44Å; F417-F427 HydrophobicContact CD2-CB 4.33Å; F417-F427 HydrophobicContact CD2-CD1 4.35Å; F417-F427 PolarHBondContact N-O 3.37Å; F417-F427 PolarHBondContact O-N 2.95Å; F417-F429 HydrophobicContact CD2-CE2 4.39Å; F417-F429 AromaticContact CE2-CD2 3.88Å; F417-F429 HydrophobicContact CE2-CD2 3.88Å; F417-F429 AromaticContact CE2-CE2 3.52Å; F417-F429 HydrophobicContact CE2-CE2 3.52Å; F417-F429 HydrophobicContact CZ-CE2 4.2Å
418	Y	93.8	Very high	92.2	Very high	14 Å²	14	39.1 Å²	39.1	6%	0.055	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.8	-176.6	-57.9	-88.7	0	0	0	110.4	L278 V279 L282 V404 G405 F407 S416 A420 S424 L425	L278-Y418 HydrophobicContact CD2-CE1 3.65Å; V279-Y418 HydrophobicContact CG2-CD1 4.29Å; V279-Y418 HydrophobicContact CG2-CG 4.18Å; L282-Y418 HydrophobicContact CD1-CD2 3.84Å; L282-Y418 HydrophobicContact CD1-CE1 4.46Å; L282-Y418 HydrophobicContact CD1-CE2 3.38Å; V404-Y418 CarbonylContact C-O 3.51Å; V404-Y418 WeakPolarHBondContact CA-O 3.39Å; G405-Y418 PolarHBondContact N-O 3.38Å; G405-Y418 PolarHBondContact O-N 2.96Å; F407-Y418 HydrophobicContact CB-CE2 4.07Å; S416-Y418 VanDerWaalsContact OG-CE2 3.25Å; S416-Y418 WeakPolarHBondContact OG-CE2 3.43Å; S416-Y418 PolarHBondContact OG-OH 2.98Å; Y418-A420 PolarHBondContact O-N 3.48Å; Y418-S424 CarbonylContact C-O 3.57Å; Y418-S424 WeakPolarHBondContact CA-O 3.48Å; Y418-L425 HydrophobicContact CD1-CB 4.39Å; Y418-L425 HydrophobicContact CD1-CD1 3.97Å; Y418-L425 HydrophobicContact CE1-CB 4.38Å; Y418-L425 HydrophobicContact CE1-CD1 3.55Å
419	S	92.3	Very high	91.8	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	114.4	158.9	165.8	0	0	0	0	107.6	P401 T421 D422 G423 S424	P401-S419 WeakPolarHBondContact CB-OG 3.24Å; S419-T421 PolarHBondContact O-N 3.42Å; S419-T421 PolarHBondContact OG-N 2.95Å; S419-D422 WeakPolarHBondContact CB-OD1 3.45Å; S419-D422 PolarHBondContact OG-N 3.33Å; S419-D422 PolarHBondContact OG-OD1 3.28Å; S419-G423 VanDerWaalsContact O-CA 3.26Å; S419-G423 WeakPolarHBondContact O-CA 3.39Å; S419-G423 PolarHBondContact O-N 3.22Å; S419-S424 VanDerWaalsContact CB-OG 3.24Å; S419-S424 WeakPolarHBondContact CB-OG 3.46Å; S419-S424 PolarHBondContact N-O 3.15Å
420	A	90.3	Very high	90.9	Very high	9 Å²	9	43.3 Å²	43.3	7%	0.074	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.1	175.4	0	0	0	0	0	112.5	E345 R403 Y418	E345-A420 HydrophobicContact CG-CB 3.92Å; R403-A420 HydrophobicContact CB-CB 4.02Å; R403-A420 HydrophobicContact CG-CB 3.7Å; R403-A420 PolarHBondContact O-N 2.93Å; Y418-A420 PolarHBondContact O-N 3.48Å
421	T	85.6	Confident	89.9	Confident	96 Å²	96	49.5 Å²	49.5	59%	0.589	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-49.3	178.5	-47.1	0	0	0	0	111.1	S419	S419-T421 PolarHBondContact O-N 3.42Å; S419-T421 PolarHBondContact OG-N 2.95Å
422	D	88	Confident	89.3	Confident	78 Å²	78	43.9 Å²	43.9	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-3.9	-173.4	69.6	-16.7	0	0	0	113.8	R274 S419 S424	R274-D422 WeakPolarHBondContact CD-O 3.22Å; S419-D422 WeakPolarHBondContact CB-OD1 3.45Å; S419-D422 PolarHBondContact OG-N 3.33Å; S419-D422 PolarHBondContact OG-OD1 3.28Å; D422-S424 VanDerWaalsContact C-N 3.34Å; D422-S424 WeakPolarHBondContact OD1-CB 3.38Å; D422-S424 PolarHBondContact OD1-N 2.94Å; D422-S424 VanDerWaalsContact OD1-N 3.13Å; D422-S424 PolarHBondContact OD1-OG 2.9Å; D422-S424 PolarHBondContact OD2-OG 3.38Å
423	G	90.1	Very high	88.6	Confident	13 Å²	13	45.2 Å²	45.2	13%	0.134	24%	0.241	C	C	.	.			trans	81.9	8.6	178.1	0	0	0	0	0	114.7	S419	S419-G423 VanDerWaalsContact O-CA 3.26Å; S419-G423 WeakPolarHBondContact O-CA 3.39Å; S419-G423 PolarHBondContact O-N 3.22Å
424	S	90.8	Very high	88	Confident	8 Å²	8	39 Å²	39	6%	0.056	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-72.3	147.8	179.5	56.6	0	0	0	0	113	Y418 S419 D422	Y418-S424 CarbonylContact C-O 3.57Å; Y418-S424 WeakPolarHBondContact CA-O 3.48Å; S419-S424 VanDerWaalsContact CB-OG 3.24Å; S419-S424 WeakPolarHBondContact CB-OG 3.46Å; S419-S424 PolarHBondContact N-O 3.15Å; D422-S424 VanDerWaalsContact C-N 3.34Å; D422-S424 WeakPolarHBondContact OD1-CB 3.38Å; D422-S424 PolarHBondContact OD1-N 2.94Å; D422-S424 VanDerWaalsContact OD1-N 3.13Å; D422-S424 PolarHBondContact OD1-OG 2.9Å; D422-S424 PolarHBondContact OD2-OG 3.38Å
425	L	91.6	Very high	87.4	Confident	32 Å²	32	40.4 Å²	40.4	17%	0.168	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.2	171.2	179.8	70	0	0	0	110.5	C273 R398 F417 Y418 I428	C273-L425 HydrophobicContact CB-CB 4.07Å; C273-L425 HydrophobicContact CB-CD2 4.24Å; C273-L425 WeakPolarHBondContact O-CB 3.46Å; C273-L425 PolarHBondContact O-N 2.93Å; R398-L425 PolarHBondContact NH1-O 3.11Å; F417-L425 WeakPolarHBondContact O-CD1 3.26Å; Y418-L425 HydrophobicContact CD1-CB 4.39Å; Y418-L425 HydrophobicContact CD1-CD1 3.97Å; Y418-L425 HydrophobicContact CE1-CB 4.38Å; Y418-L425 HydrophobicContact CE1-CD1 3.55Å; L425-I428 HydrophobicContact CD1-CD1 3.73Å; L425-I428 HydrophobicContact CD1-CG1 3.35Å; L425-I428 HydrophobicContact CD2-CD1 3.55Å; L425-I428 HydrophobicContact CD2-CG1 3.7Å; L425-I428 HydrophobicContact CG-CD1 4.25Å; L425-I428 HydrophobicContact CG-CG1 4.02Å
426	L	89.6	Confident	87.1	Confident	14 Å²	14	42.4 Å²	42.4	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-49.8	173.4	-55.2	175.5	0	0	0	110.6	L380 P401 V404 F417	L380-L426 HydrophobicContact CD2-CB 3.95Å; L380-L426 HydrophobicContact CD2-CD1 4.18Å; P401-L426 HydrophobicContact CG-CD1 3.89Å; P401-L426 HydrophobicContact CG-CD2 4.18Å; V404-L426 HydrophobicContact CG1-CD1 4.03Å; V404-L426 HydrophobicContact CG2-CD1 4.2Å; F417-L426 HydrophobicContact CB-CB 4.07Å; F417-L426 HydrophobicContact CB-CD1 4.45Å; F417-L426 WeakPolarHBondContact O-CB 3.48Å; F417-L426 PolarHBondContact O-N 3.48Å
427	F	89.4	Confident	87.2	Confident	38 Å²	38	44 Å²	44	17%	0.167	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	147.6	-176.9	-171.1	-109.8	0	0	0	112.1	L380 N388 S416 F417 F429	L380-F427 HydrophobicContact CD1-CB 3.88Å; L380-F427 HydrophobicContact CD1-CG 4.27Å; L380-F427 HydrophobicContact CD2-CB 4.39Å; N388-F427 HydrophobicContact CB-CD1 4.2Å; N388-F427 HydrophobicContact CB-CE1 3.64Å; N388-F427 HydrophobicContact CB-CE2 4.06Å; N388-F427 HydrophobicContact CB-CZ 3.57Å; S416-F427 CarbonylContact C-O 3.48Å; S416-F427 WeakPolarHBondContact CA-O 3.44Å; F417-F427 HydrophobicContact CB-CB 4.44Å; F417-F427 HydrophobicContact CD2-CB 4.33Å; F417-F427 HydrophobicContact CD2-CD1 4.35Å; F417-F427 PolarHBondContact N-O 3.37Å; F417-F427 PolarHBondContact O-N 2.95Å; F427-F429 AromaticContact CD1-CD2 3.74Å; F427-F429 HydrophobicContact CD1-CD2 3.74Å; F427-F429 AromaticContact CD1-CE2 3.64Å; F427-F429 HydrophobicContact CD1-CE2 3.64Å; F427-F429 HydrophobicContact CD1-CG 4.41Å; F427-F429 HydrophobicContact CD1-CZ 4.23Å; F427-F429 AromaticContact CE1-CD1 3.96Å; F427-F429 HydrophobicContact CE1-CD1 3.96Å; F427-F429 AromaticContact CE1-CD2 3.49Å; F427-F429 HydrophobicContact CE1-CD2 3.49Å; F427-F429 VanDerWaalsContact CE1-CD2 3.49Å; F427-F429 AromaticContact CE1-CE1 3.94Å; F427-F429 HydrophobicContact CE1-CE1 3.94Å; F427-F429 AromaticContact CE1-CE2 3.46Å; F427-F429 HydrophobicContact CE1-CE2 3.46Å; F427-F429 VanDerWaalsContact CE1-CE2 3.46Å; F427-F429 AromaticContact CE1-CG 3.74Å; F427-F429 HydrophobicContact CE1-CG 3.74Å; F427-F429 AromaticContact CE1-CZ 3.69Å; F427-F429 HydrophobicContact CE1-CZ 3.69Å
428	I	90.3	Very high	87.3	Confident	61 Å²	61	44 Å²	44	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.5	169.7	-57.3	-177.5	0	0	0	107.5	H414 L425 P430	H414-I428 WeakPolarHBondContact CE1-CG2 3.39Å; L425-I428 HydrophobicContact CD1-CD1 3.73Å; L425-I428 HydrophobicContact CD1-CG1 3.35Å; L425-I428 HydrophobicContact CD2-CD1 3.55Å; L425-I428 HydrophobicContact CD2-CG1 3.7Å; L425-I428 HydrophobicContact CG-CD1 4.25Å; L425-I428 HydrophobicContact CG-CG1 4.02Å; I428-P430 WeakPolarHBondContact O-CD 3.29Å
429	F	88.4	Confident	87.5	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.009	26%	0.262	C	S	.	.			trans	-77.7	119.9	168.4	-77.4	-96	0	0	0	109.6	W378 N388 S390 L415 F417 F427 E431 I432	W378-F429 HydrophobicContact CB-CD1 4.42Å; W378-F429 HydrophobicContact CB-CE1 4.03Å; W378-F429 HydrophobicContact CB-CE2 4.22Å; W378-F429 HydrophobicContact CB-CZ 3.93Å; W378-F429 AromaticContact CD1-CD1 3.86Å; W378-F429 AromaticContact CD1-CE1 3.8Å; W378-F429 HydrophobicContact CG-CE1 4.34Å; N388-F429 HydrophobicContact CB-CZ 4.49Å; S390-F429 VanDerWaalsContact OG-CD1 3.24Å; S390-F429 WeakPolarHBondContact OG-CD1 3.44Å; S390-F429 WeakPolarHBondContact OG-CE1 3.39Å; L415-F429 HydrophobicContact CB-CD2 4.17Å; L415-F429 HydrophobicContact CD2-CD2 3.77Å; L415-F429 HydrophobicContact CD2-CE2 3.87Å; L415-F429 HydrophobicContact CG-CD2 4.22Å; L415-F429 PolarHBondContact O-N 3.36Å; F417-F429 HydrophobicContact CD2-CE2 4.39Å; F417-F429 AromaticContact CE2-CD2 3.88Å; F417-F429 HydrophobicContact CE2-CD2 3.88Å; F417-F429 AromaticContact CE2-CE2 3.52Å; F417-F429 HydrophobicContact CE2-CE2 3.52Å; F417-F429 HydrophobicContact CZ-CE2 4.2Å; F427-F429 AromaticContact CD1-CD2 3.74Å; F427-F429 HydrophobicContact CD1-CD2 3.74Å; F427-F429 AromaticContact CD1-CE2 3.64Å; F427-F429 HydrophobicContact CD1-CE2 3.64Å; F427-F429 HydrophobicContact CD1-CG 4.41Å; F427-F429 HydrophobicContact CD1-CZ 4.23Å; F427-F429 AromaticContact CE1-CD1 3.96Å; F427-F429 HydrophobicContact CE1-CD1 3.96Å; F427-F429 AromaticContact CE1-CD2 3.49Å; F427-F429 HydrophobicContact CE1-CD2 3.49Å; F427-F429 VanDerWaalsContact CE1-CD2 3.49Å; F427-F429 AromaticContact CE1-CE1 3.94Å; F427-F429 HydrophobicContact CE1-CE1 3.94Å; F427-F429 AromaticContact CE1-CE2 3.46Å; F427-F429 HydrophobicContact CE1-CE2 3.46Å; F427-F429 VanDerWaalsContact CE1-CE2 3.46Å; F427-F429 AromaticContact CE1-CG 3.74Å; F427-F429 HydrophobicContact CE1-CG 3.74Å; F427-F429 AromaticContact CE1-CZ 3.69Å; F427-F429 HydrophobicContact CE1-CZ 3.69Å; F429-E431 PolarHBondContact O-N 3.11Å; F429-I432 HydrophobicContact CB-CD1 3.56Å; F429-I432 HydrophobicContact CB-CG1 3.56Å; F429-I432 HydrophobicContact CG-CD1 4.1Å; F429-I432 HydrophobicContact CG-CG1 4.33Å
430	P	75.9	Confident	87.8	Confident	115 Å²	115	43.1 Å²	43.1	75%	0.747	26%	0.26	S	S	*	.	S	Bend	trans	-62	-38.4	-171.1	-13.4	19.4	0	0	0	113.5	I428	I428-P430 WeakPolarHBondContact O-CD 3.29Å
431	E	74.3	Confident	88.1	Confident	173 Å²	173	42.7 Å²	42.7	81%	0.808	26%	0.256	S	S	*	.			trans	-155.5	140.3	168.8	-66.7	-172.7	172.5	0	0	108.9	F429	F429-E431 PolarHBondContact O-N 3.11Å
432	I	80.1	Confident	88.7	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	23%	0.229	C	C	.	.			trans	-121.5	106	-176.2	-39.9	-179.6	0	0	0	110.6	W378 R413 L415 F429 F434	W378-I432 HydrophobicContact CD2-CG2 3.48Å; W378-I432 VanDerWaalsContact CD2-CG2 3.48Å; W378-I432 HydrophobicContact CE3-CG2 4.34Å; W378-I432 HydrophobicContact CG-CG2 3.56Å; W378-I432 HydrophobicContact CZ2-CG2 3.78Å; R413-I432 WeakPolarHBondContact CD-O 3.24Å; R413-I432 WeakPolarHBondContact O-CG1 3.25Å; L415-I432 HydrophobicContact CB-CD1 3.17Å; L415-I432 HydrophobicContact CD2-CD1 4.31Å; L415-I432 HydrophobicContact CG-CD1 4.39Å; F429-I432 HydrophobicContact CB-CD1 3.56Å; F429-I432 HydrophobicContact CB-CG1 3.56Å; F429-I432 HydrophobicContact CG-CD1 4.1Å; F429-I432 HydrophobicContact CG-CG1 4.33Å; I432-F434 HydrophobicContact CB-CD1 3.61Å; I432-F434 HydrophobicContact CB-CE1 3.79Å; I432-F434 HydrophobicContact CD1-CE1 4.26Å; I432-F434 HydrophobicContact CG2-CD1 3.42Å; I432-F434 VanDerWaalsContact CG2-CD1 3.42Å; I432-F434 HydrophobicContact CG2-CE1 3.99Å; I432-F434 PolarHBondContact O-N 3.2Å
433	P	79.1	Confident	89.1	Confident	94 Å²	94	34.6 Å²	34.6	61%	0.61	21%	0.209	S	C	*	.			trans	-80.2	68.7	179.5	33.2	-34.4	0	0	0	110.1	R360	R360-P433 PolarHBondContact NH2-O 3.25Å
434	F	79.6	Confident	89.2	Confident	9 Å²	9	34 Å²	34	4%	0.039	20%	0.203	C	C	.	.			trans	-104.4	148.1	169.3	67.3	-99.3	0	0	0	112.3	W378 L408 Y410 R413 I432 L438	W378-F434 HydrophobicContact CH2-CB 3.39Å; W378-F434 HydrophobicContact CH2-CG 4.45Å; W378-F434 HydrophobicContact CZ2-CB 3.94Å; W378-F434 HydrophobicContact CZ3-CB 3.85Å; L408-F434 HydrophobicContact CD1-CE1 4.34Å; L408-F434 HydrophobicContact CD1-CZ 4.02Å; Y410-F434 HydrophobicContact CD1-CE2 4.44Å; Y410-F434 AromaticContact CD2-CE2 3.57Å; Y410-F434 HydrophobicContact CD2-CE2 3.57Å; Y410-F434 HydrophobicContact CD2-CZ 4.26Å; Y410-F434 HydrophobicContact CE1-CE2 4.4Å; Y410-F434 HydrophobicContact CE2-CD2 4.06Å; Y410-F434 AromaticContact CE2-CE2 3.53Å; Y410-F434 HydrophobicContact CE2-CE2 3.53Å; Y410-F434 HydrophobicContact CG-CE2 4.04Å; Y410-F434 AromaticContact CZ-CE2 3.97Å; R413-F434 HydrophobicContact CB-CE1 4.31Å; R413-F434 HydrophobicContact CB-CZ 4.46Å; R413-F434 HydrophobicContact CG-CZ 4.44Å; I432-F434 HydrophobicContact CB-CD1 3.61Å; I432-F434 HydrophobicContact CB-CE1 3.79Å; I432-F434 HydrophobicContact CD1-CE1 4.26Å; I432-F434 HydrophobicContact CG2-CD1 3.42Å; I432-F434 VanDerWaalsContact CG2-CD1 3.42Å; I432-F434 HydrophobicContact CG2-CE1 3.99Å; I432-F434 PolarHBondContact O-N 3.2Å; F434-L438 HydrophobicContact CB-CD2 4.1Å; F434-L438 HydrophobicContact CD1-CD1 3.87Å; F434-L438 HydrophobicContact CD2-CD1 3.58Å; F434-L438 HydrophobicContact CD2-CD2 4.17Å; F434-L438 HydrophobicContact CD2-CG 3.86Å; F434-L438 HydrophobicContact CE1-CD1 3.77Å; F434-L438 HydrophobicContact CE2-CD1 3.48Å; F434-L438 VanDerWaalsContact CE2-CD1 3.48Å; F434-L438 HydrophobicContact CE2-CG 4.13Å; F434-L438 HydrophobicContact CG-CD1 3.79Å; F434-L438 HydrophobicContact CG-CD2 4.08Å; F434-L438 HydrophobicContact CG-CG 4.2Å; F434-L438 HydrophobicContact CZ-CD1 3.57Å
435	S	80.6	Confident	89.2	Confident	86 Å²	86	35.8 Å²	35.8	60%	0.601	21%	0.212	S	C	*	.			trans	-138.2	150.8	167.4	59.5	0	0	0	0	108
436	G	90.8	Very high	89	Confident	42 Å²	42	35.8 Å²	35.8	43%	0.433	21%	0.214	S	C	.	.	S	Bend	trans	79.9	-168.2	-176.8	0	0	0	0	0	113.4	Y410	Y410-G436 PolarHBondContact OH-O 3.35Å
437	T	96.5	Very high	88.9	Confident	34 Å²	34	38.4 Å²	38.4	21%	0.209	23%	0.234	C	C	.	.			trans	-70.1	131	-171.1	-46.5	0	0	0	0	112.7	R336 T338 E361	R336-T437 HydrophobicContact CB-CG2 3.49Å; R336-T437 VanDerWaalsContact CB-CG2 3.49Å; R336-T437 HydrophobicContact CG-CG2 3.79Å; T338-T437 HydrophobicContact CG2-CG2 4.16Å; E361-T437 HydrophobicContact CB-CG2 4.24Å; E361-T437 PolarHBondContact N-O 3.07Å; E361-T437 WeakPolarHBondContact OE2-CB 3.36Å; E361-T437 VanDerWaalsContact OE2-CG2 3.3Å; E361-T437 WeakPolarHBondContact OE2-CG2 3.44Å; E361-T437 PolarHBondContact OE2-OG1 3.47Å
438	L	96.9	Very high	88.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147	166.5	-64.8	-176.1	0	0	0	111.2	F337 V358 C359 R360 W378 L408 F434	F337-L438 HydrophobicContact CB-CB 4.45Å; F337-L438 PolarHBondContact N-O 2.81Å; F337-L438 PolarHBondContact O-N 3.43Å; V358-L438 HydrophobicContact CG2-CD1 4.13Å; C359-L438 CarbonylContact O-C 3.56Å; C359-L438 WeakPolarHBondContact O-CA 3.45Å; R360-L438 HydrophobicContact CG-CD2 4.24Å; W378-L438 HydrophobicContact CE3-CD2 4.14Å; W378-L438 HydrophobicContact CH2-CD2 4.46Å; W378-L438 HydrophobicContact CZ3-CD2 3.54Å; L408-L438 HydrophobicContact CD1-CD1 3.98Å; L408-L438 HydrophobicContact CD2-CD1 4.07Å; F434-L438 HydrophobicContact CB-CD2 4.1Å; F434-L438 HydrophobicContact CD1-CD1 3.87Å; F434-L438 HydrophobicContact CD2-CD1 3.58Å; F434-L438 HydrophobicContact CD2-CD2 4.17Å; F434-L438 HydrophobicContact CD2-CG 3.86Å; F434-L438 HydrophobicContact CE1-CD1 3.77Å; F434-L438 HydrophobicContact CE2-CD1 3.48Å; F434-L438 VanDerWaalsContact CE2-CD1 3.48Å; F434-L438 HydrophobicContact CE2-CG 4.13Å; F434-L438 HydrophobicContact CG-CD1 3.79Å; F434-L438 HydrophobicContact CG-CD2 4.08Å; F434-L438 HydrophobicContact CG-CG 4.2Å; F434-L438 HydrophobicContact CZ-CD1 3.57Å
439	R	97.5	Very high	88.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.6	173.1	-63.4	-169.9	63.8	-175.7	1.4	110.4	D292 L332 G333 R336 V358 C359 E361	D292-R439 IonicContact OD2-CZ 2.91Å; D292-R439 IonicContact OD2-NH1 3.96Å; D292-R439 PolarHBondContact OD2-NH1 2.93Å; D292-R439 IonicContact OD2-NH2 2.69Å; D292-R439 PolarHBondContact OD2-NH2 2.81Å; L332-R439 HydrophobicContact CB-CB 4.45Å; L332-R439 HydrophobicContact CD1-CB 4.35Å; G333-R439 VanDerWaalsContact C-NH2 3.3Å; G333-R439 PolarHBondContact O-NE 2.98Å; G333-R439 PolarHBondContact O-NH2 3.47Å; R336-R439 HydrophobicContact CG-CG 4.29Å; V358-R439 CarbonylContact C-O 3.56Å; V358-R439 VanDerWaalsContact CA-O 3.23Å; V358-R439 WeakPolarHBondContact CA-O 3.36Å; C359-R439 PolarHBondContact N-O 2.99Å; C359-R439 PolarHBondContact O-N 3.34Å; E361-R439 HydrophobicContact CB-CG 4.38Å
440	P	97.9	Very high	88.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	144.9	167.9	-21.1	30.7	0	0	0	111.2	V289 L332 G333 E335 F337 W344 F442	V289-P440 HydrophobicContact CG1-CB 4.01Å; V289-P440 HydrophobicContact CG1-CG 3.72Å; V289-P440 HydrophobicContact CG2-CG 4.43Å; L332-P440 CarbonylContact C-O 3.57Å; L332-P440 VanDerWaalsContact CA-O 3.26Å; L332-P440 WeakPolarHBondContact CA-O 3.23Å; G333-P440 PolarHBondContact N-O 3.17Å; E335-P440 WeakPolarHBondContact O-CD 3.29Å; F337-P440 HydrophobicContact CE2-CG 3.61Å; F337-P440 HydrophobicContact CZ-CG 4.02Å; W344-P440 HydrophobicContact CZ2-CB 3.98Å; W344-P440 HydrophobicContact CZ2-CG 4.27Å; P440-F442 HydrophobicContact CB-CE2 3.61Å; P440-F442 HydrophobicContact CB-CZ 3.67Å
441	L	97.6	Very high	89.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.4	176.6	-176.4	154.1	0	0	0	110.2	L332 G357 C359 F377 I379	L332-L441 HydrophobicContact CD2-CB 4.11Å; L332-L441 HydrophobicContact CD2-CD1 4.14Å; L332-L441 HydrophobicContact CD2-CG 4.13Å; G357-L441 PolarHBondContact N-O 2.94Å; G357-L441 VanDerWaalsContact N-O 3.15Å; G357-L441 PolarHBondContact O-N 3Å; C359-L441 HydrophobicContact CB-CD1 4.07Å; F377-L441 HydrophobicContact CD1-CD1 3.62Å; F377-L441 HydrophobicContact CE1-CD1 3.8Å; I379-L441 HydrophobicContact CG2-CD1 4.44Å; I379-L441 HydrophobicContact CG2-CD2 4Å
442	F	97.9	Very high	90.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.9	178.2	-47	-89.6	0	0	0	109.9	V289 L291 V309 C330 V331 W344 V346 L356 P440 M452 I454	V289-F442 HydrophobicContact CG1-CE2 4.2Å; V289-F442 HydrophobicContact CG1-CZ 3.76Å; L291-F442 HydrophobicContact CD2-CB 4.36Å; L291-F442 HydrophobicContact CD2-CD2 3.32Å; L291-F442 HydrophobicContact CD2-CE2 3.69Å; L291-F442 HydrophobicContact CD2-CG 3.89Å; V309-F442 HydrophobicContact CG1-CB 4.41Å; C330-F442 WeakPolarHBondContact CA-O 3.37Å; V331-F442 HydrophobicContact CG1-CB 4.02Å; V331-F442 PolarHBondContact N-O 3.2Å; V331-F442 PolarHBondContact O-N 3.49Å; W344-F442 AromaticContact NE1-CE1 3.88Å; W344-F442 AromaticContact NE1-CZ 3.93Å; V346-F442 HydrophobicContact CG2-CD1 4.14Å; V346-F442 HydrophobicContact CG2-CE1 3.67Å; L356-F442 HydrophobicContact CD2-CD1 3.67Å; L356-F442 HydrophobicContact CD2-CE1 4.4Å; P440-F442 HydrophobicContact CB-CE2 3.61Å; P440-F442 HydrophobicContact CB-CZ 3.67Å; F442-M452 HydrophobicContact CB-SD 4.13Å; F442-M452 HydrophobicContact CD1-SD 4.43Å; F442-I454 HydrophobicContact CD1-CG1 4.41Å; F442-I454 HydrophobicContact CE1-CD1 3.92Å; F442-I454 HydrophobicContact CE1-CG1 3.78Å; F442-I454 HydrophobicContact CE2-CD1 3.95Å; F442-I454 HydrophobicContact CZ-CD1 3.56Å; F442-I454 HydrophobicContact CZ-CG1 3.94Å
443	S	95.4	Very high	91.1	Very high	1 Å²	1	34 Å²	34	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	114.2	172.3	-174.2	0	0	0	0	110.5	P329 W354 A355 L445	P329-S443 WeakPolarHBondContact O-CA 3.34Å; P329-S443 WeakPolarHBondContact O-CB 3.45Å; P329-S443 PolarHBondContact O-OG 3.43Å; W354-S443 CarbonylContact C-O 3.52Å; W354-S443 WeakPolarHBondContact CA-O 3.43Å; A355-S443 PolarHBondContact N-O 3.26Å; A355-S443 PolarHBondContact O-N 3Å; S443-L445 PolarHBondContact O-N 3.42Å; S443-L445 WeakPolarHBondContact OG-CD2 3.3Å
444	P	92.9	Very high	92	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	20%	0.199	C	C	.	.			trans	-68.5	-12.3	175.7	25.3	-32.8	0	0	0	114	L300 V309 R311 R351 S446	L300-P444 HydrophobicContact CD2-CG 3.57Å; V309-P444 HydrophobicContact CG2-CG 4.29Å; R311-P444 HydrophobicContact CB-CG 4.07Å; R351-P444 VanDerWaalsContact NH1-CB 3.27Å; R351-P444 PolarHBondContact NH1-O 2.95Å; P444-S446 PolarHBondContact O-N 3.4Å
445	L	90.8	Very high	92.7	Very high	46 Å²	46	30.4 Å²	30.4	24%	0.241	20%	0.204	C	C	.	.			trans	54	-46.9	-177.1	-64.4	-179.2	0	0	0	116.7	R311 W354 A355 V381 S443	R311-L445 PolarHBondContact NH1-O 3.41Å; W354-L445 VanDerWaalsContact C-CD1 3.47Å; A355-L445 HydrophobicContact CB-CD1 4.29Å; A355-L445 HydrophobicContact CB-CG 4.44Å; V381-L445 HydrophobicContact CG1-CD1 3.83Å; S443-L445 PolarHBondContact O-N 3.42Å; S443-L445 WeakPolarHBondContact OG-CD2 3.3Å
446	S	87.9	Confident	93	Very high	32 Å²	32	34 Å²	34	22%	0.224	21%	0.205	C	C	.	.	S	Bend	trans	-125.1	160.4	178	61.5	0	0	0	0	112.3	R351 S353 P444	R351-S446 PolarHBondContact NH1-O 2.92Å; S353-S446 WeakPolarHBondContact OG-CB 3.43Å; S353-S446 PolarHBondContact OG-OG 3.25Å; P444-S446 PolarHBondContact O-N 3.4Å
447	S	86.3	Confident	92.4	Very high	69 Å²	69	34.1 Å²	34.1	48%	0.483	20%	0.198	S	C	.	.			trans	-65.4	138.5	167.8	172.4	0	0	0	0	109.4
448	S	87.2	Confident	91	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	23%	0.23	C	C	.	.			trans	-155.8	145.3	179.4	171.6	0	0	0	0	108.5	Q310 T450	Q310-S448 PolarHBondContact NE2-O 3.45Å; S448-T450 PolarHBondContact O-N 3Å
449	P	84.3	Confident	88.7	Confident	123 Å²	123	45.5 Å²	45.5	80%	0.799	26%	0.264	S	S	*	.	S	Bend	trans	-64.6	-23.3	-178.2	24.9	-34.8	0	0	0	113.8
450	T	88.9	Confident	86.2	Confident	65 Å²	65	49.8 Å²	49.8	40%	0.399	31%	0.308	S	S	.	.	S	Bend	trans	-105.4	130.9	179.8	51.7	0	0	0	0	110.6	R351 S448	R351-T450 PolarHBondContact NE-O 3.43Å; R351-T450 PolarHBondContact NH2-O 3.36Å; S448-T450 PolarHBondContact O-N 3Å
451	P	93.1	Very high	83.3	Confident	52 Å²	52	55.4 Å²	55.4	34%	0.338	35%	0.348	S	S	.	.			trans	-72.1	149.8	177.9	30.6	-35.1	0	0	0	111.5	Q310 T453	Q310-P451 HydrophobicContact CB-CB 4.26Å; P451-T453 PolarHBondContact O-OG1 3.16Å
452	M	95.9	Very high	80.6	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127	165.8	178.4	-172.5	-67.7	0	0	108.2	S308 V309 V346 E347 V348 W354 L356 F442	S308-M452 CarbonylContact C-O 3.53Å; S308-M452 VanDerWaalsContact CA-O 3.25Å; S308-M452 WeakPolarHBondContact CA-O 3.27Å; V309-M452 HydrophobicContact CG1-CB 4.08Å; V309-M452 HydrophobicContact CG1-CG 4.49Å; V309-M452 HydrophobicContact CG1-SD 4.33Å; V309-M452 PolarHBondContact N-O 3.39Å; V309-M452 PolarHBondContact O-N 2.97Å; V346-M452 HydrophobicContact CG1-CG 3.34Å; V346-M452 HydrophobicContact CG1-SD 3.98Å; E347-M452 WeakPolarHBondContact O-CA 3.44Å; V348-M452 HydrophobicContact CG1-CE 4.36Å; V348-M452 HydrophobicContact CG1-CG 4.42Å; W354-M452 HydrophobicContact CB-CE 3.4Å; W354-M452 HydrophobicContact CG-CE 4.3Å; L356-M452 HydrophobicContact CD2-CE 4.2Å; L356-M452 HydrophobicContact CD2-SD 3.6Å; L356-M452 VanDerWaalsContact CD2-SD 3.6Å; F442-M452 HydrophobicContact CB-SD 4.13Å; F442-M452 HydrophobicContact CD1-SD 4.43Å
453	T	96.9	Very high	77.4	Confident	39 Å²	39	66 Å²	66	24%	0.239	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.6	-167.8	-57.8	0	0	0	0	112.6	R307 S308 V346 E347 P451 C455	R307-T453 CarbonylContact O-C 3.2Å; R307-T453 WeakPolarHBondContact O-CA 3.41Å; S308-T453 WeakPolarHBondContact OG-CB 3.36Å; S308-T453 VanDerWaalsContact OG-CG2 3.22Å; S308-T453 WeakPolarHBondContact OG-CG2 3.39Å; S308-T453 PolarHBondContact OG-OG1 3.02Å; V346-T453 CarbonylContact C-O 3.54Å; V346-T453 WeakPolarHBondContact CA-O 3.47Å; E347-T453 PolarHBondContact N-O 2.88Å; E347-T453 PolarHBondContact O-N 2.75Å; P451-T453 PolarHBondContact O-OG1 3.16Å; T453-C455 PolarHBondContact O-N 3.42Å
454	I	97.4	Very high	74.5	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.026	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.1	174.2	-56.5	163	0	0	0	109.3	V289 L291 R307 F442	V289-I454 HydrophobicContact CB-CG2 4.24Å; V289-I454 HydrophobicContact CG1-CD1 4.15Å; V289-I454 WeakPolarHBondContact O-CG2 3.39Å; L291-I454 HydrophobicContact CD2-CD1 3.76Å; L291-I454 HydrophobicContact CG-CD1 3.84Å; R307-I454 HydrophobicContact CB-CB 4.48Å; R307-I454 PolarHBondContact O-N 2.92Å; F442-I454 HydrophobicContact CD1-CG1 4.41Å; F442-I454 HydrophobicContact CE1-CD1 3.92Å; F442-I454 HydrophobicContact CE1-CG1 3.78Å; F442-I454 HydrophobicContact CE2-CD1 3.95Å; F442-I454 HydrophobicContact CZ-CD1 3.56Å; F442-I454 HydrophobicContact CZ-CG1 3.94Å
455	C	94.4	Very high	71.8	Confident	23 Å²	23	80.4 Å²	80.4	16%	0.155	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-72.9	131.8	-178.7	-67.4	0	0	0	0	111.2	E345 T453	E345-C455 HydrophobicContact CB-CB 3.92Å; E345-C455 WeakPolarHBondContact O-CB 3.33Å; E345-C455 PolarHBondContact O-N 3.01Å; T453-C455 PolarHBondContact O-N 3.42Å
456	R	87.4	Confident	69.1	Low	162 Å²	162	82.1 Å²	82.1	61%	0.611	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-65.4	145.3	176.7	-65.6	-174.8	-177.2	173.8	1.7	111.7	R286 D305 K458	R286-R456 PolarHBondContact NH1-O 3.14Å; D305-R456 IonicContact OD2-CZ 2.83Å; D305-R456 IonicContact OD2-NH2 3.41Å; D305-R456 PolarHBondContact OD2-NH2 2.99Å; R456-K458 PolarHBondContact O-N 2.83Å
457	P	77.2	Confident	67.2	Low	44 Å²	44	86.8 Å²	86.8	29%	0.286	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-59.4	132.9	160.5	-4.9	17.2	0	0	0	108.7	R286 D288 G459	R286-P457 HydrophobicContact CG-CB 4.31Å; D288-P457 HydrophobicContact CB-CG 4.09Å; D288-P457 VanDerWaalsContact OD1-CD 3.27Å; D288-P457 WeakPolarHBondContact OD1-CD 3.34Å; P457-G459 PolarHBondContact O-N 3.39Å
458	K	67.7	Low	65.2	Low	203 Å²	203	96.2 Å²	96.2	88%	0.883	59%	0.588	S	S	*	*			trans	-63.3	114.1	168	-77.5	-174.1	176	-177.2	0	106.5	R456 G460	R456-K458 PolarHBondContact O-N 2.83Å; K458-G460 PolarHBondContact O-N 3.16Å
459	G	48.3	Very low	64.1	Low	70 Å²	70	100.2 Å²	100.2	72%	0.722	61%	0.611	S	S	*	*			trans	-60.2	127.5	-174.1	0	0	0	0	0	112.1	P457	P457-G459 PolarHBondContact O-N 3.39Å
460	G	44.7	Very low	63.1	Low	90 Å²	90	98.9 Å²	98.9	93%	0.928	60%	0.602	S	S	*	*			trans	-82.9	98.6	156.3	0	0	0	0	0	108.8	K458	K458-G460 PolarHBondContact O-N 3.16Å
461	S	38	Very low	61.6	Low	119 Å²	119	100.8 Å²	100.8	83%	0.832	61%	0.613	S	S	*	*			trans	-136.9	116.1	160.6	55.4	0	0	0	0	103.4
462	G	40.5	Very low	59.8	Low	65 Å²	65	103.7 Å²	103.7	67%	0.67	63%	0.629	S	S	*	*			cis	135.7	66.2	39.6	0	0	0	0	0	105.2
463	D	29.3	Very low	57.5	Low	160 Å²	160	110.1 Å²	110.1	86%	0.856	67%	0.668	S	S	*	*			trans	-101.8	77.1	169.4	-84.2	-20.6	0	0	0	108	L465	D463-L465 PolarHBondContact O-N 3.01Å
464	T	35	Very low	54.9	Low	137 Å²	137	114.8 Å²	114.8	84%	0.84	70%	0.696	S	S	*	*			trans	-69.7	91.9	157.8	-27.6	0	0	0	0	105.9	A466	T464-A466 PolarHBondContact O-N 3.2Å
465	L	37.3	Very low	51.9	Low	165 Å²	165	122.6 Å²	122.6	86%	0.864	74%	0.744	S	S	*	*			trans	-56.7	108.5	165.1	-87.7	150	0	0	0	107.6	D463	D463-L465 PolarHBondContact O-N 3.01Å
466	A	34.5	Very low	48.6	Very low	82 Å²	82	130.3 Å²	130.3	68%	0.678	79%	0.789	S	S	*	*			trans	-60.3	141.1	168.7	0	0	0	0	0	109.2	T464 Q468	T464-A466 PolarHBondContact O-N 3.2Å; A466-Q468 PolarHBondContact O-N 3.13Å
467	P	47.1	Very low	45.4	Very low	131 Å²	131	127.7 Å²	127.7	85%	0.851	80%	0.804	S	S	*	*			trans	-72.9	128.1	177.8	29.1	-30.3	0	0	0	109.7
468	Q	45	Very low	42.5	Very low	266 Å²	266	135.3 Å²	135.3	100%	1.243	85%	0.851	S	S	*	*			trans	-105.5	0	152.4	-76	-167.5	1.7	0	0	108.7	A466	A466-Q468 PolarHBondContact O-N 3.13Å

Retrieved 468 of 468 residues in 855.6 ms (Link to these results)

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