A0A087XRW3_POEFO Loading...

Kinesin family member 6

AlphaFold DB , UniProt , Accession A0A087XRW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 797 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	66.1	Low	89.7	Confident	137 Å²	137	47.4 Å²	47.4	68%	0.675	24%	0.237	S	C	*	.				0	131.2	0	179.6	178.2	64.4	0	0	108.4	K3 E348 A349 I350	M1-K3 VanDerWaalsContact CE-CE 3.46Å; M1-E348 HydrophobicContact CG-CB 4.47Å; M1-E348 HydrophobicContact SD-CB 4.26Å; M1-A349 CarbonylContact C-O 3.54Å; M1-A349 WeakPolarHBondContact CA-O 3.48Å; M1-I350 HydrophobicContact CB-CG1 4.29Å; M1-I350 HydrophobicContact CG-CG1 4.08Å
2	V	79.8	Confident	90	Very high	60 Å²	60	43.6 Å²	43.6	36%	0.364	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.7	179.9	-179.9	0	0	0	0	108	M315 A349	V2-M315 HydrophobicContact CB-CE 4.13Å; V2-M315 HydrophobicContact CG1-CE 4.31Å; V2-M315 HydrophobicContact CG2-CE 4.37Å; V2-A349 PolarHBondContact N-O 3.06Å; V2-A349 PolarHBondContact O-N 2.95Å
3	K	83.9	Confident	90	Very high	126 Å²	126	47.1 Å²	47.1	55%	0.548	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.6	174.6	-57.1	-162.9	-178.8	-149.4	0	109	M1 N347 E348	M1-K3 VanDerWaalsContact CE-CE 3.46Å; K3-N347 WeakPolarHBondContact CA-O 3.49Å; K3-E348 HydrophobicContact CD-CG 4.22Å; K3-E348 WeakPolarHBondContact CD-OE1 3.45Å; K3-E348 VanDerWaalsContact CE-OE1 3.27Å; K3-E348 WeakPolarHBondContact CE-OE1 3.42Å; K3-E348 WeakPolarHBondContact CE-OE2 3.47Å; K3-E348 HydrophobicContact CG-CG 4.11Å; K3-E348 IonicContact NZ-OE1 2.82Å; K3-E348 PolarHBondContact NZ-OE1 2.81Å; K3-E348 IonicContact NZ-OE2 4Å; K3-E348 PolarHBondContact NZ-OE2 3.06Å
4	Q	88.3	Confident	89.5	Confident	41 Å²	41	49.2 Å²	49.2	19%	0.192	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155	-179.8	64.5	176.9	-22.4	0	0	111.5	M315 K346 N347	Q4-M315 VanDerWaalsContact NE2-CG 3.29Å; Q4-M315 PolarHBondContact NE2-SD 3.21Å; Q4-K346 CarbonylContact O-C 3.56Å; Q4-K346 WeakPolarHBondContact O-CA 3.47Å; Q4-N347 PolarHBondContact N-O 2.99Å; Q4-N347 VanDerWaalsContact N-O 3.11Å; Q4-N347 PolarHBondContact O-N 3.34Å
5	T	92.1	Very high	88.6	Confident	70 Å²	70	48.5 Å²	48.5	43%	0.429	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	149.6	168.9	44.7	0	0	0	0	111.3	Q7 A343 I345 K346	T5-Q7 PolarHBondContact O-N 3.29Å; T5-A343 WeakPolarHBondContact CB-O 3.42Å; T5-I345 CarbonylContact C-O 3.55Å; T5-I345 VanDerWaalsContact CA-O 3.23Å; T5-I345 WeakPolarHBondContact CA-O 3.37Å; T5-K346 HydrophobicContact CG2-CG 4Å
6	I	94.9	Very high	87	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-59.3	129.6	173.5	-61.3	-174.9	0	0	0	109.6	L310 T316 V342 I345	I6-L310 HydrophobicContact CD1-CD2 3.87Å; I6-T316 HydrophobicContact CD1-CG2 4.21Å; I6-T316 HydrophobicContact CG2-CG2 4.09Å; I6-T316 WeakPolarHBondContact CG2-O 3.49Å; I6-V342 HydrophobicContact CB-CG1 4.01Å; I6-V342 HydrophobicContact CD1-CG1 4.2Å; I6-V342 HydrophobicContact CG2-CG1 3.52Å; I6-I345 HydrophobicContact CD1-CB 3.82Å; I6-I345 HydrophobicContact CD1-CD1 4.21Å; I6-I345 HydrophobicContact CD1-CG2 3.76Å; I6-I345 HydrophobicContact CG1-CB 4.12Å; I6-I345 HydrophobicContact CG1-CG2 4.21Å; I6-I345 PolarHBondContact N-O 3.47Å
7	Q	95.3	Very high	85.4	Confident	49 Å²	49	60.8 Å²	60.8	23%	0.229	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.3	-176.4	-54.7	-171.3	28.8	0	0	110	T5 F9 T316 T317 M318	T5-Q7 PolarHBondContact O-N 3.29Å; Q7-F9 HydrophobicContact CB-CE2 4.23Å; Q7-T316 PolarHBondContact N-O 3.02Å; Q7-T316 VanDerWaalsContact N-O 3.17Å; Q7-T317 HydrophobicContact CB-CG2 4.25Å; Q7-T317 CarbonylContact O-C 3.59Å; Q7-T317 WeakPolarHBondContact O-CA 3.45Å; Q7-M318 PolarHBondContact O-N 3.22Å
8	I	96.6	Very high	83.5	Confident	11 Å²	11	65.4 Å²	65.4	6%	0.056	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.8	-178.5	62.5	161	0	0	0	111.7	R59 F60 R61 M318 A339 V342 A343	I8-R59 WeakPolarHBondContact CD1-O 3.48Å; I8-F60 HydrophobicContact CB-CD1 4.17Å; I8-F60 HydrophobicContact CD1-CD1 3.79Å; I8-F60 HydrophobicContact CD1-CE1 4.16Å; I8-F60 HydrophobicContact CD1-CG 4.42Å; I8-F60 HydrophobicContact CG1-CD1 4.01Å; I8-R61 WeakPolarHBondContact O-CB 3.2Å; I8-R61 PolarHBondContact O-N 3.42Å; I8-M318 HydrophobicContact CG2-CB 4.22Å; I8-M318 HydrophobicContact CG2-SD 4.27Å; I8-A339 HydrophobicContact CD1-CB 4.27Å; I8-V342 HydrophobicContact CG2-CB 4.46Å; I8-V342 HydrophobicContact CG2-CG1 4.23Å; I8-A343 HydrophobicContact CD1-CB 3.76Å; I8-A343 HydrophobicContact CG1-CB 3.94Å; I8-A343 HydrophobicContact CG2-CB 3.91Å
9	F	97.3	Very high	81.7	Confident	5 Å²	5	66.2 Å²	66.2	2%	0.022	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.3	176.6	-68.9	-96.6	0	0	0	109.7	Q7 R61 K62 F64 I77 T317 M318 A320	Q7-F9 HydrophobicContact CB-CE2 4.23Å; F9-R61 HydrophobicContact CD1-CB 4.47Å; F9-R61 HydrophobicContact CE1-CB 4.2Å; F9-R61 HydrophobicContact CE1-CG 4.15Å; F9-R61 HydrophobicContact CE2-CB 4.49Å; F9-R61 HydrophobicContact CZ-CB 4.23Å; F9-R61 HydrophobicContact CZ-CG 4.08Å; F9-K62 WeakPolarHBondContact CA-O 3.05Å; F9-K62 HydrophobicContact CD1-CB 3.81Å; F9-K62 HydrophobicContact CE1-CB 3.94Å; F9-F64 HydrophobicContact CB-CE2 4.04Å; F9-F64 AromaticContact CD1-CE2 3.56Å; F9-F64 HydrophobicContact CD1-CE2 3.56Å; F9-F64 AromaticContact CD1-CZ 3.9Å; F9-F64 HydrophobicContact CD1-CZ 3.9Å; F9-F64 HydrophobicContact CE1-CE2 4.38Å; F9-F64 HydrophobicContact CE1-CZ 4.29Å; F9-F64 HydrophobicContact CG-CE2 4.17Å; F9-I77 HydrophobicContact CB-CD1 4.24Å; F9-I77 HydrophobicContact CD1-CD1 4.38Å; F9-I77 HydrophobicContact CD1-CG1 4.08Å; F9-I77 HydrophobicContact CD2-CG1 4.4Å; F9-I77 HydrophobicContact CD2-CG2 4.15Å; F9-I77 HydrophobicContact CE1-CG1 4.15Å; F9-I77 HydrophobicContact CE2-CG1 4.48Å; F9-I77 HydrophobicContact CE2-CG2 4.13Å; F9-I77 HydrophobicContact CG-CD1 4.19Å; F9-I77 HydrophobicContact CG-CG1 4.19Å; F9-I77 HydrophobicContact CZ-CG1 4.33Å; F9-T317 HydrophobicContact CD2-CG2 3.54Å; F9-T317 HydrophobicContact CE2-CG2 3.54Å; F9-M318 PolarHBondContact N-O 3.45Å; F9-A320 PolarHBondContact O-N 3.37Å
10	G	96.3	Very high	80.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.4	171.7	0	0	0	0	0	110.7	K62 V63 F64 A320	G10-K62 PolarHBondContact N-O 3.11Å; G10-K62 VanDerWaalsContact N-O 3.07Å; G10-V63 CarbonylContact O-C 3.58Å; G10-V63 WeakPolarHBondContact O-CA 3.32Å; G10-F64 VanDerWaalsContact O-CD2 3.3Å; G10-F64 WeakPolarHBondContact O-CD2 3.43Å; G10-F64 PolarHBondContact O-N 3.29Å; G10-A320 CarbonylContact C-O 3.58Å
11	R	95.9	Very high	79.1	Confident	18 Å²	18	64.5 Å²	64.5	7%	0.068	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.3	169.3	-172.8	179.6	-169.1	176.2	10.9	110.7	F64 I68 Q70 I73 T106 I319 A320 T321 M322	R11-F64 HydrophobicContact CB-CB 4.39Å; R11-F64 HydrophobicContact CG-CB 4.17Å; R11-I68 PolarHBondContact NH2-O 2.95Å; R11-Q70 VanDerWaalsContact CZ-OE1 3.26Å; R11-I73 HydrophobicContact CG-CD1 4.49Å; R11-T106 WeakPolarHBondContact CD-OG1 3.49Å; R11-T106 PolarHBondContact NH1-OG1 3.09Å; R11-I319 HydrophobicContact CB-CG2 4.2Å; R11-A320 PolarHBondContact N-O 2.98Å; R11-T321 HydrophobicContact CB-CG2 4.49Å; R11-T321 WeakPolarHBondContact O-CA 3.35Å; R11-M322 PolarHBondContact O-N 3.16Å
12	I	93.6	Very high	79	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.5	178.4	-54	-179.2	0	0	0	108.9	Y24 V26 L36 V63 F64 Q66 M322 V324	I12-Y24 HydrophobicContact CD1-CD2 3.71Å; I12-Y24 HydrophobicContact CD1-CE2 3.38Å; I12-V26 HydrophobicContact CD1-CG2 3.84Å; I12-L36 HydrophobicContact CD1-CD1 4.15Å; I12-V63 HydrophobicContact CD1-CG1 4.22Å; I12-V63 HydrophobicContact CG1-CG1 4.39Å; I12-F64 PolarHBondContact N-O 3.37Å; I12-Q66 HydrophobicContact CB-CG 4.36Å; I12-Q66 HydrophobicContact CG2-CG 3.71Å; I12-M322 HydrophobicContact CG1-CE 4.15Å; I12-V324 HydrophobicContact CG2-CG1 3.67Å; I12-V324 HydrophobicContact CG2-CG2 4.08Å
13	K	89.3	Confident	78.9	Confident	89 Å²	89	62.3 Å²	62.3	39%	0.387	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-67.1	136.4	177.1	-170.6	-167.9	177.6	171.9	0	111.4	Q66 G100 M322	K13-Q66 WeakPolarHBondContact O-CG 3.49Å; K13-Q66 PolarHBondContact O-OE1 3.14Å; K13-G100 WeakPolarHBondContact CD-O 3.32Å; K13-G100 WeakPolarHBondContact CE-O 3.21Å; K13-G100 PolarHBondContact NZ-O 3.26Å; K13-M322 VanDerWaalsContact CB-O 3.32Å; K13-M322 WeakPolarHBondContact CB-O 3.22Å; K13-M322 PolarHBondContact N-O 3.45Å
14	P	83.9	Confident	79	Confident	77 Å²	77	57.5 Å²	57.5	50%	0.5	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-57.1	144	168.6	-17.4	27	0	0	0	112.8	Q66	P14-Q66 WeakPolarHBondContact CG-O 3.48Å
15	T	76.1	Confident	79	Confident	38 Å²	38	57.2 Å²	57.2	23%	0.233	33%	0.326	C	S	.	.			trans	-136.2	134.2	177.4	61.6	0	0	0	0	111.7	K17 Q66 V324	T15-K17 PolarHBondContact O-N 3.32Å; T15-Q66 PolarHBondContact OG1-OE1 2.92Å; T15-V324 HydrophobicContact CG2-CG2 4.11Å
16	N	62.8	Low	78.7	Confident	152 Å²	152	55 Å²	55	81%	0.813	31%	0.312	S	S	*	.	S	Bend	trans	-75	26	-178.9	-52.9	33.4	0	0	0	112.9
17	K	58.8	Low	78.2	Confident	155 Å²	155	58.5 Å²	58.5	67%	0.674	33%	0.331	S	S	*	.			trans	-137.1	113.3	-175.5	-72.2	-172.3	176.2	-175.5	0	111.3	T15 A19 A20	T15-K17 PolarHBondContact O-N 3.32Å; K17-A19 PolarHBondContact O-N 3.02Å; K17-A20 PolarHBondContact O-N 3.42Å
18	T	52.3	Low	77.4	Confident	144 Å²	144	61.1 Å²	61.1	88%	0.883	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-56.8	-17.5	175.3	-18.2	0	0	0	0	113.9	A20	T18-A20 PolarHBondContact O-N 3.15Å; T18-A20 VanDerWaalsContact O-N 3.09Å
19	A	48.6	Very low	76.2	Confident	80 Å²	80	64.2 Å²	64.2	66%	0.661	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-67	-1.8	179.7	0	0	0	0	0	115.6	K17 S21	K17-A19 PolarHBondContact O-N 3.02Å; A19-S21 VanDerWaalsContact C-N 3.33Å; A19-S21 PolarHBondContact O-N 2.93Å
20	A	53.1	Low	74.3	Confident	12 Å²	12	73.6 Å²	73.6	10%	0.099	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-73.2	-19	179.4	0	0	0	0	0	114.3	K17 T18 N22 V23 Y24 V324	K17-A20 PolarHBondContact O-N 3.42Å; T18-A20 PolarHBondContact O-N 3.15Å; T18-A20 VanDerWaalsContact O-N 3.09Å; A20-N22 PolarHBondContact O-N 3.48Å; A20-N22 VanDerWaalsContact O-N 3.11Å; A20-V23 PolarHBondContact O-N 3.31Å; A20-Y24 HydrophobicContact CB-CE1 4.31Å; A20-V324 HydrophobicContact CB-CG2 4.14Å
21	S	56	Low	72.4	Confident	84 Å²	84	82.9 Å²	82.9	59%	0.587	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24.7	-172.2	59.2	0	0	0	0	115.5	A19	A19-S21 VanDerWaalsContact C-N 3.33Å; A19-S21 PolarHBondContact O-N 2.93Å
22	N	64.7	Low	70.8	Confident	125 Å²	125	85.1 Å²	85.1	67%	0.668	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-100.7	10.5	-172.6	-61.4	11.7	0	0	0	112.5	A20	A20-N22 PolarHBondContact O-N 3.48Å; A20-N22 VanDerWaalsContact O-N 3.11Å
23	V	78.1	Confident	70.1	Confident	27 Å²	27	85.9 Å²	85.9	16%	0.164	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-26.5	-170.4	-177.7	0	0	0	0	112.3	A20 L39 L329	A20-V23 PolarHBondContact O-N 3.31Å; V23-L39 PolarHBondContact O-N 3.26Å; V23-L329 HydrophobicContact CG1-CD1 3.47Å; V23-L329 VanDerWaalsContact CG1-CD1 3.47Å; V23-L329 HydrophobicContact CG1-CD2 3.55Å; V23-L329 HydrophobicContact CG1-CG 4.1Å
24	Y	85.9	Confident	70	Confident	24 Å²	24	81.7 Å²	81.7	9%	0.094	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.5	175.1	77.4	-83.4	0	0	0	110.7	I12 A20 V26 L36 E37 E65 Q66 V324	I12-Y24 HydrophobicContact CD1-CD2 3.71Å; I12-Y24 HydrophobicContact CD1-CE2 3.38Å; A20-Y24 HydrophobicContact CB-CE1 4.31Å; Y24-V26 HydrophobicContact CD2-CG2 3.93Å; Y24-V26 HydrophobicContact CE2-CG2 3.83Å; Y24-L36 HydrophobicContact CD2-CD1 3.96Å; Y24-E37 CarbonylContact C-O 3.55Å; Y24-E37 WeakPolarHBondContact CA-O 3.29Å; Y24-E65 PolarHBondContact OH-OE2 2.96Å; Y24-Q66 PolarHBondContact OH-NE2 2.92Å; Y24-V324 HydrophobicContact CD1-CB 3.85Å; Y24-V324 HydrophobicContact CD1-CG1 3.48Å; Y24-V324 VanDerWaalsContact CD1-CG1 3.48Å; Y24-V324 HydrophobicContact CD1-CG2 4.27Å; Y24-V324 HydrophobicContact CE1-CB 4.07Å; Y24-V324 HydrophobicContact CE1-CG1 3.82Å; Y24-V324 HydrophobicContact CE1-CG2 3.97Å; Y24-V324 HydrophobicContact CG-CG1 4Å
25	S	86.6	Confident	70.2	Confident	35 Å²	35	78.3 Å²	78.3	25%	0.245	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.1	168.7	53.3	0	0	0	0	109.9	E37	S25-E37 PolarHBondContact N-O 3.31Å; S25-E37 PolarHBondContact O-N 3.16Å; S25-E37 WeakPolarHBondContact OG-CB 3.33Å; S25-E37 PolarHBondContact OG-OE2 3.49Å
26	V	86.4	Confident	70.9	Confident	24 Å²	24	76.5 Å²	76.5	15%	0.145	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.9	172.7	177.4	0	0	0	0	108.1	I12 Y24 S35 L36 V63 E65	I12-V26 HydrophobicContact CD1-CG2 3.84Å; Y24-V26 HydrophobicContact CD2-CG2 3.93Å; Y24-V26 HydrophobicContact CE2-CG2 3.83Å; V26-S35 WeakPolarHBondContact CA-O 3.24Å; V26-L36 HydrophobicContact CG2-CD1 3.89Å; V26-V63 HydrophobicContact CG1-CB 3.91Å; V26-V63 HydrophobicContact CG1-CG1 4.01Å; V26-V63 HydrophobicContact CG2-CG1 3.83Å; V26-E65 HydrophobicContact CB-CG 4.38Å; V26-E65 HydrophobicContact CG1-CG 4.49Å; V26-E65 HydrophobicContact CG2-CG 4.27Å
27	N	85.1	Confident	72.3	Confident	77 Å²	77	71.3 Å²	71.3	41%	0.412	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.6	174.4	-62.2	-4.7	0	0	0	108.3	S35	N27-S35 PolarHBondContact N-O 3.03Å; N27-S35 PolarHBondContact O-N 3.47Å
28	H	77.8	Confident	73.7	Confident	105 Å²	105	64 Å²	64	49%	0.486	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	105.6	172	-70.6	-81.4	0	0	0	108.8	V63	H28-V63 PolarHBondContact CE1-O 3.33Å; H28-V63 VanDerWaalsContact CE1-O 3.27Å
29	E	71.4	Confident	75.2	Confident	75 Å²	75	60.6 Å²	60.6	35%	0.35	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	108.7	174.1	-68.2	172.6	-149.5	0	0	107.4	E31 T32 G33 K57	E29-E31 PolarHBondContact O-N 3.48Å; E29-E31 VanDerWaalsContact O-N 3.09Å; E29-T32 HydrophobicContact CB-CG2 4.27Å; E29-T32 WeakPolarHBondContact CB-OG1 3.39Å; E29-T32 PolarHBondContact O-N 3.34Å; E29-T32 WeakPolarHBondContact OE2-CG2 3.34Å; E29-T32 PolarHBondContact OE2-OG1 3Å; E29-G33 PolarHBondContact N-O 3.12Å; E29-G33 VanDerWaalsContact N-O 3.08Å; E29-G33 PolarHBondContact O-N 2.93Å; E29-K57 IonicContact OE1-NZ 3.88Å
30	E	57.5	Low	76.7	Confident	203 Å²	203	58.8 Å²	58.8	95%	0.949	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33	-168.3	-62.6	-171.4	145.7	0	0	113.9
31	E	56.6	Low	77.5	Confident	195 Å²	195	62.2 Å²	62.2	91%	0.911	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-21.7	178.6	-60.1	-171.3	148.3	0	0	114.5	E29	E29-E31 PolarHBondContact O-N 3.48Å; E29-E31 VanDerWaalsContact O-N 3.09Å
32	T	61.4	Low	78.1	Confident	64 Å²	64	64.8 Å²	64.8	39%	0.393	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-15.4	-169.1	94.3	0	0	0	0	114.6	E29	E29-T32 HydrophobicContact CB-CG2 4.27Å; E29-T32 WeakPolarHBondContact CB-OG1 3.39Å; E29-T32 PolarHBondContact O-N 3.34Å; E29-T32 WeakPolarHBondContact OE2-CG2 3.34Å; E29-T32 PolarHBondContact OE2-OG1 3Å
33	G	80.6	Confident	78	Confident	18 Å²	18	62.9 Å²	62.9	19%	0.186	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.2	-163.5	177.7	0	0	0	0	0	114.2	E29	E29-G33 PolarHBondContact N-O 3.12Å; E29-G33 VanDerWaalsContact N-O 3.08Å; E29-G33 PolarHBondContact O-N 2.93Å
34	G	86.1	Confident	77.1	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.6	177.6	0	0	0	0	0	111.7	F60 R61	G34-F60 PolarHBondContact N-O 2.93Å; G34-F60 PolarHBondContact O-N 3.39Å; G34-R61 PolarHBondContact N-O 3.06Å
35	S	89.1	Confident	75.8	Confident	6 Å²	6	72.4 Å²	72.4	4%	0.042	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.5	168.6	166.5	0	0	0	0	110.3	V26 N27 K57 F58	V26-S35 WeakPolarHBondContact CA-O 3.24Å; N27-S35 PolarHBondContact N-O 3.03Å; N27-S35 PolarHBondContact O-N 3.47Å; S35-K57 WeakPolarHBondContact OG-CE 3.45Å; S35-F58 WeakPolarHBondContact CA-O 3.25Å
36	L	91.1	Very high	74.5	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.4	171.2	170.5	59.8	0	0	0	109.2	I12 Y24 V26 F38 K57 F58 F60 V63 M322	I12-L36 HydrophobicContact CD1-CD1 4.15Å; Y24-L36 HydrophobicContact CD2-CD1 3.96Å; V26-L36 HydrophobicContact CG2-CD1 3.89Å; L36-F38 HydrophobicContact CD1-CE2 4.24Å; L36-F38 HydrophobicContact CD1-CZ 4.27Å; L36-F38 HydrophobicContact CD2-CE2 3.6Å; L36-F38 HydrophobicContact CD2-CZ 3.74Å; L36-F38 HydrophobicContact CG-CD2 4.28Å; L36-F38 HydrophobicContact CG-CE2 3.71Å; L36-F38 HydrophobicContact CG-CZ 4.11Å; L36-K57 CarbonylContact O-C 3.51Å; L36-F58 PolarHBondContact N-O 3.41Å; L36-F58 PolarHBondContact O-N 3.42Å; L36-F60 HydrophobicContact CB-CD2 4.37Å; L36-F60 HydrophobicContact CB-CE2 4.21Å; L36-F60 HydrophobicContact CD2-CE2 4.19Å; L36-V63 HydrophobicContact CB-CG1 4.42Å; L36-V63 HydrophobicContact CB-CG2 4.07Å; L36-V63 HydrophobicContact CD2-CG1 4.49Å; L36-M322 HydrophobicContact CD2-CE 3.53Å; L36-M322 HydrophobicContact CD2-SD 3.42Å; L36-M322 WeakPolarHBondContact CD2-SD 3.5Å
37	E	90.5	Very high	72.8	Confident	44 Å²	44	77.9 Å²	77.9	21%	0.206	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.1	-179	173.9	174.7	-106.2	0	0	110	Y24 S25 N55 Y56 K57	Y24-E37 CarbonylContact C-O 3.55Å; Y24-E37 WeakPolarHBondContact CA-O 3.29Å; S25-E37 PolarHBondContact N-O 3.31Å; S25-E37 PolarHBondContact O-N 3.16Å; S25-E37 WeakPolarHBondContact OG-CB 3.33Å; S25-E37 PolarHBondContact OG-OE2 3.49Å; E37-N55 PolarHBondContact OE1-ND2 3.37Å; E37-N55 PolarHBondContact OE1-OD1 3.18Å; E37-Y56 WeakPolarHBondContact CA-O 3.33Å; E37-K57 HydrophobicContact CB-CB 4.37Å; E37-K57 HydrophobicContact CB-CG 4.37Å; E37-K57 HydrophobicContact CG-CB 4.44Å
38	F	88.4	Confident	71.5	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.1	175.7	-67.8	-86.6	0	0	0	110.8	L36 N55 Y56 F58 M322 V324 L329 I333	L36-F38 HydrophobicContact CD1-CE2 4.24Å; L36-F38 HydrophobicContact CD1-CZ 4.27Å; L36-F38 HydrophobicContact CD2-CE2 3.6Å; L36-F38 HydrophobicContact CD2-CZ 3.74Å; L36-F38 HydrophobicContact CG-CD2 4.28Å; L36-F38 HydrophobicContact CG-CE2 3.71Å; L36-F38 HydrophobicContact CG-CZ 4.11Å; F38-N55 WeakPolarHBondContact O-CA 3.37Å; F38-Y56 PolarHBondContact N-O 3.06Å; F38-Y56 PolarHBondContact O-N 2.89Å; F38-F58 HydrophobicContact CD2-CD2 4.01Å; F38-F58 AromaticContact CD2-CE2 3.94Å; F38-F58 HydrophobicContact CD2-CE2 3.94Å; F38-F58 HydrophobicContact CE2-CD2 4.18Å; F38-F58 HydrophobicContact CE2-CE2 4.28Å; F38-M322 HydrophobicContact CE2-SD 4.45Å; F38-M322 HydrophobicContact CZ-SD 4.05Å; F38-V324 HydrophobicContact CE1-CG1 4.28Å; F38-L329 HydrophobicContact CD1-CD2 4.05Å; F38-L329 HydrophobicContact CE1-CD2 4.29Å; F38-I333 HydrophobicContact CB-CD1 4.12Å; F38-I333 HydrophobicContact CB-CG1 4.15Å; F38-I333 HydrophobicContact CD2-CG1 3.92Å; F38-I333 HydrophobicContact CE2-CG1 4.43Å; F38-I333 HydrophobicContact CG-CD1 4.39Å; F38-I333 HydrophobicContact CG-CG1 3.96Å
39	L	83.9	Confident	70.5	Confident	73 Å²	73	81.6 Å²	81.6	38%	0.382	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.1	169.8	-65.1	171.7	0	0	0	108.5	V23 P41 N55	V23-L39 PolarHBondContact O-N 3.26Å; L39-P41 WeakPolarHBondContact O-CD 3.24Å; L39-N55 HydrophobicContact CD2-CB 4.37Å
40	V	81.5	Confident	70	Confident	42 Å²	42	80.1 Å²	80.1	26%	0.255	45%	0.449	S	S	.	.			trans	-113.8	94	176.9	-175.6	0	0	0	0	107.8	E54 Y56 L329 I333	V40-E54 PolarHBondContact N-O 3.1Å; V40-Y56 HydrophobicContact CG2-CD2 4.19Å; V40-Y56 HydrophobicContact CG2-CE2 4.15Å; V40-L329 HydrophobicContact CG2-CD1 4.41Å; V40-I333 HydrophobicContact CG2-CD1 3.58Å
41	P	68.8	Low	70.4	Confident	85 Å²	85	78.9 Å²	78.9	55%	0.552	44%	0.443	S	S	*	.			trans	-59.9	141.9	179.8	-23.2	33.8	0	0	0	111.5	L39 D43	L39-P41 WeakPolarHBondContact O-CD 3.24Å; P41-D43 PolarHBondContact O-N 3.07Å
42	R	68	Low	70.9	Confident	138 Å²	138	76 Å²	76	52%	0.521	43%	0.428	S	S	.	.			trans	-62.1	133.3	171.6	-56.8	-174	-166.9	-170.4	3	109.7	L44 E54	R42-L44 PolarHBondContact O-N 3.32Å; R42-E54 HydrophobicContact CG-CG 3.91Å; R42-E54 IonicContact CZ-OE1 3.29Å; R42-E54 IonicContact NE-OE1 2.65Å; R42-E54 PolarHBondContact NE-OE1 3.28Å; R42-E54 IonicContact NE-OE2 3.19Å; R42-E54 IonicContact NH2-OE1 3.64Å; R42-E54 PolarHBondContact NH2-OE1 3.06Å
43	D	63.8	Low	71.4	Confident	84 Å²	84	80.5 Å²	80.5	45%	0.449	44%	0.438	S	S	.	.			trans	-80	104.4	167.8	-129.7	-60.4	0	0	0	108.6	P41 A45 D46 K326	P41-D43 PolarHBondContact O-N 3.07Å; D43-A45 PolarHBondContact O-N 2.94Å; D43-D46 PolarHBondContact O-N 2.95Å; D43-K326 IonicContact OD2-NZ 2.73Å; D43-K326 PolarHBondContact OD2-NZ 2.93Å
44	L	57.8	Low	71.3	Confident	162 Å²	162	83.4 Å²	83.4	85%	0.848	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-68.2	-12	-174.3	-65.8	172.1	0	0	0	112.9	R42	R42-L44 PolarHBondContact O-N 3.32Å
45	A	59.7	Low	71.2	Confident	90 Å²	90	85.9 Å²	85.9	74%	0.744	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-75	-21.9	177.7	0	0	0	0	0	114	D43 G47	D43-A45 PolarHBondContact O-N 2.94Å; A45-G47 PolarHBondContact O-N 3.41Å
46	D	58.2	Low	71.3	Confident	96 Å²	96	87.6 Å²	87.6	51%	0.513	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-70.3	-12.2	-174.2	-88.5	-6.4	0	0	0	114	D43 I48	D43-D46 PolarHBondContact O-N 2.95Å; D46-I48 PolarHBondContact O-N 2.79Å
47	G	51.5	Low	71.3	Confident	78 Å²	78	92.6 Å²	92.6	80%	0.804	49%	0.487	S	S	*	.			trans	66.2	-17.9	173.1	0	0	0	0	0	117.4	A45	A45-G47 PolarHBondContact O-N 3.41Å
48	I	58.6	Low	71.5	Confident	140 Å²	140	91.4 Å²	91.4	72%	0.718	48%	0.481	S	S	*	.	S	Bend	trans	-92.5	142	-177.3	-62.4	166.1	0	0	0	110.1	D46 N50	D46-I48 PolarHBondContact O-N 2.79Å; I48-N50 PolarHBondContact O-N 2.62Å
49	V	55.5	Low	71.7	Confident	119 Å²	119	98.8 Å²	98.8	72%	0.721	51%	0.509	S	S	*	.			trans	-65.5	92.6	175.7	-177.2	0	0	0	0	110.1	H51	V49-H51 PolarHBondContact O-N 3.36Å
50	N	60.4	Low	72.3	Confident	44 Å²	44	95.6 Å²	95.6	24%	0.235	49%	0.492	C	S	.	.			trans	-90.4	97.7	-167.9	-151	-24.6	0	0	0	111	I48 K52	I48-N50 PolarHBondContact O-N 2.62Å; N50-K52 PolarHBondContact O-N 2.92Å; N50-K52 WeakPolarHBondContact OD1-CD 3.18Å; N50-K52 WeakPolarHBondContact OD1-CG 3.31Å
51	H	66.1	Low	72.9	Confident	177 Å²	177	101.1 Å²	101.1	82%	0.819	51%	0.508	S	S	*	.			trans	-70.9	21.5	176.1	-66.2	176.9	0	0	0	114.1	V49 R53	V49-H51 PolarHBondContact O-N 3.36Å; H51-R53 PolarHBondContact O-N 2.87Å
52	K	67.6	Low	74.1	Confident	135 Å²	135	100.4 Å²	100.4	59%	0.587	50%	0.496	S	S	*	.			trans	-63.7	129.3	171.2	-81.3	172.8	-168.8	178.3	0	109.6	N50 E54	N50-K52 PolarHBondContact O-N 2.92Å; N50-K52 WeakPolarHBondContact OD1-CD 3.18Å; N50-K52 WeakPolarHBondContact OD1-CG 3.31Å; K52-E54 PolarHBondContact O-N 3.49Å
53	R	72.7	Confident	75.3	Confident	159 Å²	159	93.9 Å²	93.9	60%	0.6	47%	0.472	S	S	*	.			trans	-63.1	127	169.6	176.4	172.2	176.8	160	3.4	109.4	H51 N55 Y56	H51-R53 PolarHBondContact O-N 2.87Å; R53-N55 VanDerWaalsContact CG-O 3.27Å; R53-N55 WeakPolarHBondContact CG-O 3.33Å; R53-N55 PolarHBondContact NE-O 3.2Å; R53-Y56 HydrophobicContact CB-CE1 4Å; R53-Y56 HydrophobicContact CG-CD1 4.33Å; R53-Y56 HydrophobicContact CG-CE1 3.94Å; R53-Y56 WeakPolarHBondContact O-CE2 3.23Å; R53-Y56 PolarHBondContact O-OH 2.93Å
54	E	77.1	Confident	76.8	Confident	78 Å²	78	90 Å²	90	36%	0.364	45%	0.451	S	S	.	.			trans	-87.1	-34.6	-176.9	-68.8	159.4	-102.1	0	0	112.8	V40 R42 K52	V40-E54 PolarHBondContact N-O 3.1Å; R42-E54 HydrophobicContact CG-CG 3.91Å; R42-E54 IonicContact CZ-OE1 3.29Å; R42-E54 IonicContact NE-OE1 2.65Å; R42-E54 PolarHBondContact NE-OE1 3.28Å; R42-E54 IonicContact NE-OE2 3.19Å; R42-E54 IonicContact NH2-OE1 3.64Å; R42-E54 PolarHBondContact NH2-OE1 3.06Å; K52-E54 PolarHBondContact O-N 3.49Å
55	N	85.3	Confident	78.4	Confident	54 Å²	54	85 Å²	85	29%	0.289	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.3	-178.1	171.5	-49.6	0	0	0	111	E37 F38 L39 R53 K57	E37-N55 PolarHBondContact OE1-ND2 3.37Å; E37-N55 PolarHBondContact OE1-OD1 3.18Å; F38-N55 WeakPolarHBondContact O-CA 3.37Å; L39-N55 HydrophobicContact CD2-CB 4.37Å; R53-N55 VanDerWaalsContact CG-O 3.27Å; R53-N55 WeakPolarHBondContact CG-O 3.33Å; R53-N55 PolarHBondContact NE-O 3.2Å; N55-K57 PolarHBondContact OD1-N 2.82Å
56	Y	89.8	Confident	79.8	Confident	42 Å²	42	82.8 Å²	82.8	17%	0.165	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	93.7	174.2	-59.6	-82.4	0	0	0	112.1	E37 F38 V40 R53 F58 I333	E37-Y56 WeakPolarHBondContact CA-O 3.33Å; F38-Y56 PolarHBondContact N-O 3.06Å; F38-Y56 PolarHBondContact O-N 2.89Å; V40-Y56 HydrophobicContact CG2-CD2 4.19Å; V40-Y56 HydrophobicContact CG2-CE2 4.15Å; R53-Y56 HydrophobicContact CB-CE1 4Å; R53-Y56 HydrophobicContact CG-CD1 4.33Å; R53-Y56 HydrophobicContact CG-CE1 3.94Å; R53-Y56 WeakPolarHBondContact O-CE2 3.23Å; R53-Y56 PolarHBondContact O-OH 2.93Å; Y56-F58 WeakPolarHBondContact O-CD2 3.32Å; Y56-I333 HydrophobicContact CD1-CG2 4.4Å; Y56-I333 HydrophobicContact CD2-CD1 3.72Å; Y56-I333 HydrophobicContact CD2-CG1 4.43Å; Y56-I333 HydrophobicContact CD2-CG2 4.39Å; Y56-I333 HydrophobicContact CE2-CD1 4.11Å; Y56-I333 HydrophobicContact CG-CD1 4.42Å; Y56-I333 HydrophobicContact CG-CG2 4.23Å
57	K	92.3	Very high	81.2	Confident	104 Å²	104	84.6 Å²	84.6	45%	0.452	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.6	169.8	-165.3	174.8	-171.7	-176.1	0	112.2	E29 S35 L36 E37 N55	E29-K57 IonicContact OE1-NZ 3.88Å; S35-K57 WeakPolarHBondContact OG-CE 3.45Å; L36-K57 CarbonylContact O-C 3.51Å; E37-K57 HydrophobicContact CB-CB 4.37Å; E37-K57 HydrophobicContact CB-CG 4.37Å; E37-K57 HydrophobicContact CG-CB 4.44Å; N55-K57 PolarHBondContact OD1-N 2.82Å
58	F	94.3	Very high	83.1	Confident	19 Å²	19	82.9 Å²	82.9	8%	0.083	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.2	179	-61.9	-73.4	0	0	0	110.4	S35 L36 F38 Y56 F60 I333 C336 R337 Q340	S35-F58 WeakPolarHBondContact CA-O 3.25Å; L36-F58 PolarHBondContact N-O 3.41Å; L36-F58 PolarHBondContact O-N 3.42Å; F38-F58 HydrophobicContact CD2-CD2 4.01Å; F38-F58 AromaticContact CD2-CE2 3.94Å; F38-F58 HydrophobicContact CD2-CE2 3.94Å; F38-F58 HydrophobicContact CE2-CD2 4.18Å; F38-F58 HydrophobicContact CE2-CE2 4.28Å; Y56-F58 WeakPolarHBondContact O-CD2 3.32Å; F58-F60 HydrophobicContact CB-CE2 3.91Å; F58-I333 HydrophobicContact CE2-CG1 4.5Å; F58-I333 HydrophobicContact CE2-CG2 4.37Å; F58-I333 HydrophobicContact CZ-CG2 4.07Å; F58-C336 HydrophobicContact CB-CB 4.36Å; F58-C336 HydrophobicContact CD1-CB 3.73Å; F58-C336 HydrophobicContact CD2-CB 3.49Å; F58-C336 VanDerWaalsContact CD2-CB 3.49Å; F58-C336 HydrophobicContact CE1-CB 3.74Å; F58-C336 HydrophobicContact CE2-CB 3.49Å; F58-C336 VanDerWaalsContact CE2-CB 3.49Å; F58-C336 HydrophobicContact CG-CB 3.59Å; F58-C336 HydrophobicContact CZ-CB 3.61Å; F58-R337 HydrophobicContact CE1-CG 3.75Å; F58-R337 HydrophobicContact CZ-CG 3.92Å; F58-Q340 HydrophobicContact CD1-CG 3.77Å; F58-Q340 HydrophobicContact CE1-CG 4.43Å
59	R	93.8	Very high	84.7	Confident	155 Å²	155	83.3 Å²	83.3	59%	0.585	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	139	179.1	-172.2	172.8	63.2	174.6	0.5	111.8	I8 Q340	I8-R59 WeakPolarHBondContact CD1-O 3.48Å; R59-Q340 PolarHBondContact O-NE2 3.29Å; R59-Q340 PolarHBondContact O-OE1 2.9Å
60	F	94.8	Very high	86.5	Confident	6 Å²	6	77.9 Å²	77.9	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165.6	177.9	-64.1	-91.8	0	0	0	109.8	I8 G34 L36 F58 V63 A320 C336 A339	I8-F60 HydrophobicContact CB-CD1 4.17Å; I8-F60 HydrophobicContact CD1-CD1 3.79Å; I8-F60 HydrophobicContact CD1-CE1 4.16Å; I8-F60 HydrophobicContact CD1-CG 4.42Å; I8-F60 HydrophobicContact CG1-CD1 4.01Å; G34-F60 PolarHBondContact N-O 2.93Å; G34-F60 PolarHBondContact O-N 3.39Å; L36-F60 HydrophobicContact CB-CD2 4.37Å; L36-F60 HydrophobicContact CB-CE2 4.21Å; L36-F60 HydrophobicContact CD2-CE2 4.19Å; F58-F60 HydrophobicContact CB-CE2 3.91Å; F60-V63 HydrophobicContact CB-CG2 3.93Å; F60-V63 HydrophobicContact CD2-CG2 3.74Å; F60-V63 HydrophobicContact CG-CG2 4.13Å; F60-A320 HydrophobicContact CE1-CB 3.91Å; F60-A320 HydrophobicContact CZ-CB 4.43Å; F60-C336 HydrophobicContact CZ-CB 4.33Å; F60-A339 HydrophobicContact CE1-CB 3.81Å; F60-A339 HydrophobicContact CZ-CB 4.4Å
61	R	93.8	Very high	88.1	Confident	159 Å²	159	79 Å²	79	60%	0.6	34%	0.344	S	S	*	.	S	Bend	trans	-62.2	-45.6	171.3	-178.2	170.2	178.8	152.7	10.6	110.7	I8 F9 G34	I8-R61 WeakPolarHBondContact O-CB 3.2Å; I8-R61 PolarHBondContact O-N 3.42Å; F9-R61 HydrophobicContact CD1-CB 4.47Å; F9-R61 HydrophobicContact CE1-CB 4.2Å; F9-R61 HydrophobicContact CE1-CG 4.15Å; F9-R61 HydrophobicContact CE2-CB 4.49Å; F9-R61 HydrophobicContact CZ-CB 4.23Å; F9-R61 HydrophobicContact CZ-CG 4.08Å; G34-R61 PolarHBondContact N-O 3.06Å
62	K	94.6	Very high	89.5	Confident	69 Å²	69	72.8 Å²	72.8	30%	0.3	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.2	169.2	-161.9	171.5	-175.1	-179.8	0	108.7	F9 G10 F64 D76	F9-K62 WeakPolarHBondContact CA-O 3.05Å; F9-K62 HydrophobicContact CD1-CB 3.81Å; F9-K62 HydrophobicContact CE1-CB 3.94Å; G10-K62 PolarHBondContact N-O 3.11Å; G10-K62 VanDerWaalsContact N-O 3.07Å; K62-F64 HydrophobicContact CB-CZ 4.26Å; K62-F64 HydrophobicContact CD-CD1 4.45Å; K62-F64 HydrophobicContact CD-CE1 3.66Å; K62-F64 HydrophobicContact CD-CZ 3.94Å; K62-F64 HydrophobicContact CG-CE1 4.12Å; K62-F64 HydrophobicContact CG-CZ 4.27Å; K62-D76 IonicContact NZ-OD1 3.2Å; K62-D76 PolarHBondContact NZ-OD1 3.05Å; K62-D76 IonicContact NZ-OD2 2.9Å; K62-D76 PolarHBondContact NZ-OD2 3.43Å
63	V	94.4	Very high	90.8	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.1	171.7	-179.2	0	0	0	0	107.1	G10 I12 V26 H28 L36 F60	G10-V63 CarbonylContact O-C 3.58Å; G10-V63 WeakPolarHBondContact O-CA 3.32Å; I12-V63 HydrophobicContact CD1-CG1 4.22Å; I12-V63 HydrophobicContact CG1-CG1 4.39Å; V26-V63 HydrophobicContact CG1-CB 3.91Å; V26-V63 HydrophobicContact CG1-CG1 4.01Å; V26-V63 HydrophobicContact CG2-CG1 3.83Å; H28-V63 PolarHBondContact CE1-O 3.33Å; H28-V63 VanDerWaalsContact CE1-O 3.27Å; L36-V63 HydrophobicContact CB-CG1 4.42Å; L36-V63 HydrophobicContact CB-CG2 4.07Å; L36-V63 HydrophobicContact CD2-CG1 4.49Å; F60-V63 HydrophobicContact CB-CG2 3.93Å; F60-V63 HydrophobicContact CD2-CG2 3.74Å; F60-V63 HydrophobicContact CG-CG2 4.13Å
64	F	93.9	Very high	92	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.3	-179.6	-59.5	-72.1	0	0	0	109.6	F9 G10 R11 I12 K62 I68 V72 I73 D76 I77	F9-F64 HydrophobicContact CB-CE2 4.04Å; F9-F64 AromaticContact CD1-CE2 3.56Å; F9-F64 HydrophobicContact CD1-CE2 3.56Å; F9-F64 AromaticContact CD1-CZ 3.9Å; F9-F64 HydrophobicContact CD1-CZ 3.9Å; F9-F64 HydrophobicContact CE1-CE2 4.38Å; F9-F64 HydrophobicContact CE1-CZ 4.29Å; F9-F64 HydrophobicContact CG-CE2 4.17Å; G10-F64 VanDerWaalsContact O-CD2 3.3Å; G10-F64 WeakPolarHBondContact O-CD2 3.43Å; G10-F64 PolarHBondContact O-N 3.29Å; R11-F64 HydrophobicContact CB-CB 4.39Å; R11-F64 HydrophobicContact CG-CB 4.17Å; I12-F64 PolarHBondContact N-O 3.37Å; K62-F64 HydrophobicContact CB-CZ 4.26Å; K62-F64 HydrophobicContact CD-CD1 4.45Å; K62-F64 HydrophobicContact CD-CE1 3.66Å; K62-F64 HydrophobicContact CD-CZ 3.94Å; K62-F64 HydrophobicContact CG-CE1 4.12Å; K62-F64 HydrophobicContact CG-CZ 4.27Å; F64-I68 HydrophobicContact CB-CB 4.26Å; F64-I68 HydrophobicContact CB-CG1 4.29Å; F64-I68 HydrophobicContact CB-CG2 4.33Å; F64-I68 HydrophobicContact CD1-CG2 3.91Å; F64-I68 HydrophobicContact CG-CG2 4.49Å; F64-V72 HydrophobicContact CE1-CG1 4.37Å; F64-I73 HydrophobicContact CB-CD1 3.72Å; F64-I73 HydrophobicContact CD1-CD1 3.62Å; F64-I73 HydrophobicContact CD2-CD1 3.52Å; F64-I73 HydrophobicContact CE1-CD1 4.02Å; F64-I73 HydrophobicContact CE2-CD1 3.97Å; F64-I73 HydrophobicContact CG-CD1 3.32Å; F64-I73 HydrophobicContact CZ-CD1 4.19Å; F64-D76 HydrophobicContact CE1-CB 4.05Å; F64-D76 WeakPolarHBondContact CE1-OD2 3.38Å; F64-D76 HydrophobicContact CZ-CB 3.7Å; F64-I77 HydrophobicContact CD2-CD1 4.33Å; F64-I77 HydrophobicContact CE2-CD1 3.49Å; F64-I77 VanDerWaalsContact CE2-CD1 3.49Å; F64-I77 HydrophobicContact CE2-CG1 3.85Å; F64-I77 HydrophobicContact CZ-CD1 4.03Å; F64-I77 HydrophobicContact CZ-CG1 3.91Å
65	E	91.2	Very high	92.9	Very high	58 Å²	58	60.1 Å²	60.1	27%	0.271	27%	0.268	S	S	.	.			trans	-74.9	170	179.2	-74.3	-142	-97.8	0	0	113.7	Y24 V26 H67 I68	Y24-E65 PolarHBondContact OH-OE2 2.96Å; V26-E65 HydrophobicContact CB-CG 4.38Å; V26-E65 HydrophobicContact CG1-CG 4.49Å; V26-E65 HydrophobicContact CG2-CG 4.27Å; E65-H67 PolarHBondContact O-N 2.89Å; E65-H67 IonicContact OE1-CE1 3.81Å; E65-I68 HydrophobicContact CB-CG1 4.41Å; E65-I68 WeakPolarHBondContact O-CB 3.24Å; E65-I68 WeakPolarHBondContact O-CG1 3.19Å; E65-I68 PolarHBondContact O-N 3.13Å
66	Q	89.8	Confident	93.3	Very high	42 Å²	42	60.1 Å²	60.1	20%	0.196	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22	-175.6	-65.2	-170.4	64.9	0	0	114.9	I12 K13 P14 T15 Y24	I12-Q66 HydrophobicContact CB-CG 4.36Å; I12-Q66 HydrophobicContact CG2-CG 3.71Å; K13-Q66 WeakPolarHBondContact O-CG 3.49Å; K13-Q66 PolarHBondContact O-OE1 3.14Å; P14-Q66 WeakPolarHBondContact CG-O 3.48Å; T15-Q66 PolarHBondContact OG1-OE1 2.92Å; Y24-Q66 PolarHBondContact OH-NE2 2.92Å
67	H	88.5	Confident	93.6	Very high	134 Å²	134	58.3 Å²	58.3	62%	0.62	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.2	-178.6	61.9	-97.4	0	0	0	113.7	E65	E65-H67 PolarHBondContact O-N 2.89Å; E65-H67 IonicContact OE1-CE1 3.81Å
68	I	91.6	Very high	93.8	Very high	43 Å²	43	53.4 Å²	53.4	22%	0.221	24%	0.24	C	C	.	.			trans	-81	121.5	-174.2	-57.4	-63.9	0	0	0	112.2	R11 F64 E65 V72 I73	R11-I68 PolarHBondContact NH2-O 2.95Å; F64-I68 HydrophobicContact CB-CB 4.26Å; F64-I68 HydrophobicContact CB-CG1 4.29Å; F64-I68 HydrophobicContact CB-CG2 4.33Å; F64-I68 HydrophobicContact CD1-CG2 3.91Å; F64-I68 HydrophobicContact CG-CG2 4.49Å; E65-I68 HydrophobicContact CB-CG1 4.41Å; E65-I68 WeakPolarHBondContact O-CB 3.24Å; E65-I68 WeakPolarHBondContact O-CG1 3.19Å; E65-I68 PolarHBondContact O-N 3.13Å; I68-V72 HydrophobicContact CG2-CB 3.75Å; I68-V72 HydrophobicContact CG2-CG1 3.81Å; I68-V72 HydrophobicContact CG2-CG2 4.44Å; I68-I73 HydrophobicContact CG2-CD1 3.95Å; I68-I73 HydrophobicContact CG2-CG1 4.25Å
69	K	92.2	Very high	94	Very high	149 Å²	149	55 Å²	55	65%	0.648	25%	0.247	S	C	*	.			trans	-79.1	164.4	-180	-60.1	-178.5	-179.2	178.3	0	113.2	D71 V72 I73	K69-D71 VanDerWaalsContact C-N 3.32Å; K69-D71 WeakPolarHBondContact CB-OD1 3.38Å; K69-D71 PolarHBondContact O-N 3.27Å; K69-V72 PolarHBondContact O-N 3.01Å; K69-I73 WeakPolarHBondContact O-CG1 3.41Å; K69-I73 PolarHBondContact O-N 2.72Å
70	Q	93.4	Very high	94.1	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.023	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-29.9	-173	-58.8	-78.5	63.1	0	0	114.4	R11 I73 F74 F105 D116 R117	R11-Q70 VanDerWaalsContact CZ-OE1 3.26Å; Q70-I73 PolarHBondContact O-N 2.89Å; Q70-F74 PolarHBondContact O-N 3.36Å; Q70-F105 HydrophobicContact CG-CE1 4.37Å; Q70-F105 HydrophobicContact CG-CZ 4.47Å; Q70-F105 PolarHBondContact NE2-O 2.98Å; Q70-D116 PolarHBondContact NE2-O 2.89Å; Q70-R117 VanDerWaalsContact CB-O 3.29Å; Q70-R117 WeakPolarHBondContact CB-O 3.48Å
71	D	93.7	Very high	94.1	Very high	67 Å²	67	50.9 Å²	50.9	36%	0.358	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-48.3	175.4	45.4	-70.5	0	0	0	111.8	K69 I73 F74 E75	K69-D71 VanDerWaalsContact C-N 3.32Å; K69-D71 WeakPolarHBondContact CB-OD1 3.38Å; K69-D71 PolarHBondContact O-N 3.27Å; D71-I73 VanDerWaalsContact C-N 3.34Å; D71-I73 PolarHBondContact O-N 3.12Å; D71-F74 WeakPolarHBondContact O-CB 3.35Å; D71-F74 PolarHBondContact O-N 3.48Å; D71-F74 VanDerWaalsContact O-N 3.13Å; D71-E75 WeakPolarHBondContact O-CG 2.93Å; D71-E75 PolarHBondContact O-N 3.13Å
72	V	94.8	Very high	94.3	Very high	47 Å²	47	43.3 Å²	43.3	29%	0.285	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-41.7	174.9	-178.3	0	0	0	0	111.5	F64 I68 K69 F74 E75 D76	F64-V72 HydrophobicContact CE1-CG1 4.37Å; I68-V72 HydrophobicContact CG2-CB 3.75Å; I68-V72 HydrophobicContact CG2-CG1 3.81Å; I68-V72 HydrophobicContact CG2-CG2 4.44Å; K69-V72 PolarHBondContact O-N 3.01Å; V72-F74 VanDerWaalsContact C-N 3.29Å; V72-F74 PolarHBondContact O-N 3.2Å; V72-E75 PolarHBondContact O-N 2.95Å; V72-D76 VanDerWaalsContact CG1-OD2 3.28Å; V72-D76 WeakPolarHBondContact CG1-OD2 3.29Å; V72-D76 WeakPolarHBondContact O-CB 3.29Å; V72-D76 PolarHBondContact O-N 3.44Å
73	I	95.4	Very high	94.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-37.5	175.3	-58.9	-62.8	0	0	0	111.6	R11 F64 I68 K69 Q70 D71 I77 T106 I119	R11-I73 HydrophobicContact CG-CD1 4.49Å; F64-I73 HydrophobicContact CB-CD1 3.72Å; F64-I73 HydrophobicContact CD1-CD1 3.62Å; F64-I73 HydrophobicContact CD2-CD1 3.52Å; F64-I73 HydrophobicContact CE1-CD1 4.02Å; F64-I73 HydrophobicContact CE2-CD1 3.97Å; F64-I73 HydrophobicContact CG-CD1 3.32Å; F64-I73 HydrophobicContact CZ-CD1 4.19Å; I68-I73 HydrophobicContact CG2-CD1 3.95Å; I68-I73 HydrophobicContact CG2-CG1 4.25Å; K69-I73 WeakPolarHBondContact O-CG1 3.41Å; K69-I73 PolarHBondContact O-N 2.72Å; Q70-I73 PolarHBondContact O-N 2.89Å; D71-I73 VanDerWaalsContact C-N 3.34Å; D71-I73 PolarHBondContact O-N 3.12Å; I73-I77 HydrophobicContact CG2-CD1 3.83Å; I73-I77 VanDerWaalsContact O-CB 3.3Å; I73-I77 WeakPolarHBondContact O-CB 3.35Å; I73-I77 VanDerWaalsContact O-CG1 3.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 2.93Å; I73-T106 HydrophobicContact CG2-CG2 3.99Å; I73-I119 HydrophobicContact CG2-CD1 4.12Å; I73-I119 HydrophobicContact CG2-CG1 4.33Å
74	F	96.7	Very high	94.4	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.053	22%	0.222	C	C	.	.	I	π-helix	trans	-69.1	-48.5	175.8	172.8	-97.1	0	0	0	111.9	Q70 D71 V72 A78 K79 R122 Y126	Q70-F74 PolarHBondContact O-N 3.36Å; D71-F74 WeakPolarHBondContact O-CB 3.35Å; D71-F74 PolarHBondContact O-N 3.48Å; D71-F74 VanDerWaalsContact O-N 3.13Å; V72-F74 VanDerWaalsContact C-N 3.29Å; V72-F74 PolarHBondContact O-N 3.2Å; F74-A78 HydrophobicContact CD2-CB 3.56Å; F74-A78 HydrophobicContact CE2-CB 3.87Å; F74-A78 HydrophobicContact CG-CB 4.39Å; F74-A78 WeakPolarHBondContact O-CA 3.5Å; F74-A78 PolarHBondContact O-N 3.42Å; F74-K79 HydrophobicContact CE1-CB 4.01Å; F74-K79 HydrophobicContact CE1-CD 4.29Å; F74-K79 HydrophobicContact CE1-CG 4.47Å; F74-K79 HydrophobicContact CZ-CB 4.11Å; F74-K79 PolarHBondContact O-N 3.24Å; F74-R122 HydrophobicContact CB-CB 4.33Å; F74-R122 HydrophobicContact CD1-CB 4.45Å; F74-R122 HydrophobicContact CD2-CB 3.47Å; F74-R122 VanDerWaalsContact CD2-CB 3.47Å; F74-R122 HydrophobicContact CE2-CB 3.92Å; F74-R122 HydrophobicContact CG-CB 3.8Å; F74-Y126 HydrophobicContact CE1-CD2 4.27Å; F74-Y126 HydrophobicContact CE1-CG 4.27Å; F74-Y126 HydrophobicContact CZ-CD1 4.1Å; F74-Y126 HydrophobicContact CZ-CD2 4.15Å; F74-Y126 AromaticContact CZ-CG 3.7Å; F74-Y126 HydrophobicContact CZ-CG 3.7Å
75	E	96.6	Very high	94.5	Very high	93 Å²	93	44.5 Å²	44.5	44%	0.435	22%	0.222	S	C	.	.	I	π-helix	trans	-63.2	-45.2	-179	-73.1	-70.1	131.8	0	0	112.9	D71 V72 K79 P80	D71-E75 WeakPolarHBondContact O-CG 2.93Å; D71-E75 PolarHBondContact O-N 3.13Å; V72-E75 PolarHBondContact O-N 2.95Å; E75-K79 VanDerWaalsContact CD-CD 3.46Å; E75-K79 VanDerWaalsContact OE1-CD 3.24Å; E75-K79 WeakPolarHBondContact OE1-CD 3.43Å; E75-K79 IonicContact OE1-NZ 3.85Å; E75-K79 PolarHBondContact OE1-NZ 2.89Å; E75-K79 VanDerWaalsContact OE2-CD 3.26Å; E75-K79 WeakPolarHBondContact OE2-CD 3.3Å; E75-K79 WeakPolarHBondContact OE2-CE 3.49Å; E75-K79 IonicContact OE2-NZ 3.96Å; E75-K79 PolarHBondContact OE2-NZ 3.31Å; E75-P80 WeakPolarHBondContact O-CD 3.12Å
76	D	94.8	Very high	94.7	Very high	54 Å²	54	41.9 Å²	41.9	29%	0.289	21%	0.21	S	C	.	.	I	π-helix	trans	-75.9	-29.7	-177.9	-79.8	-65.1	0	0	0	114	K62 F64 V72	K62-D76 IonicContact NZ-OD1 3.2Å; K62-D76 PolarHBondContact NZ-OD1 3.05Å; K62-D76 IonicContact NZ-OD2 2.9Å; K62-D76 PolarHBondContact NZ-OD2 3.43Å; F64-D76 HydrophobicContact CE1-CB 4.05Å; F64-D76 WeakPolarHBondContact CE1-OD2 3.38Å; F64-D76 HydrophobicContact CZ-CB 3.7Å; V72-D76 VanDerWaalsContact CG1-OD2 3.28Å; V72-D76 WeakPolarHBondContact CG1-OD2 3.29Å; V72-D76 WeakPolarHBondContact O-CB 3.29Å; V72-D76 PolarHBondContact O-N 3.44Å
77	I	95.8	Very high	94.9	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	22%	0.216	C	C	.	.	I	π-helix	trans	-115.5	-53.6	-169.3	-43.6	179.2	0	0	0	112.5	F9 F64 I73 V81 I93 T317 I319	F9-I77 HydrophobicContact CB-CD1 4.24Å; F9-I77 HydrophobicContact CD1-CD1 4.38Å; F9-I77 HydrophobicContact CD1-CG1 4.08Å; F9-I77 HydrophobicContact CD2-CG1 4.4Å; F9-I77 HydrophobicContact CD2-CG2 4.15Å; F9-I77 HydrophobicContact CE1-CG1 4.15Å; F9-I77 HydrophobicContact CE2-CG1 4.48Å; F9-I77 HydrophobicContact CE2-CG2 4.13Å; F9-I77 HydrophobicContact CG-CD1 4.19Å; F9-I77 HydrophobicContact CG-CG1 4.19Å; F9-I77 HydrophobicContact CZ-CG1 4.33Å; F64-I77 HydrophobicContact CD2-CD1 4.33Å; F64-I77 HydrophobicContact CE2-CD1 3.49Å; F64-I77 VanDerWaalsContact CE2-CD1 3.49Å; F64-I77 HydrophobicContact CE2-CG1 3.85Å; F64-I77 HydrophobicContact CZ-CD1 4.03Å; F64-I77 HydrophobicContact CZ-CG1 3.91Å; I73-I77 HydrophobicContact CG2-CD1 3.83Å; I73-I77 VanDerWaalsContact O-CB 3.3Å; I73-I77 WeakPolarHBondContact O-CB 3.35Å; I73-I77 VanDerWaalsContact O-CG1 3.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 2.93Å; I77-V81 WeakPolarHBondContact O-CG2 3.42Å; I77-I93 HydrophobicContact CG2-CG2 4.42Å; I77-T317 HydrophobicContact CG2-CG2 3.57Å; I77-I319 HydrophobicContact CD1-CD1 3.76Å; I77-I319 HydrophobicContact CD1-CG1 3.98Å; I77-I319 HydrophobicContact CG2-CD1 4.19Å; I77-I319 HydrophobicContact CG2-CG1 4.27Å
78	A	96.5	Very high	95.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	19%	0.187	C	C	.	.	I	π-helix	trans	-84.5	-41.3	-166.8	0	0	0	0	0	112.7	F74 V81 A82 I93 I119	F74-A78 HydrophobicContact CD2-CB 3.56Å; F74-A78 HydrophobicContact CE2-CB 3.87Å; F74-A78 HydrophobicContact CG-CB 4.39Å; F74-A78 WeakPolarHBondContact O-CA 3.5Å; F74-A78 PolarHBondContact O-N 3.42Å; A78-V81 PolarHBondContact O-N 2.86Å; A78-V81 VanDerWaalsContact O-N 3.15Å; A78-A82 PolarHBondContact O-N 3.49Å; A78-I93 HydrophobicContact CB-CD1 3.85Å; A78-I119 HydrophobicContact CB-CG1 4.21Å; A78-I119 HydrophobicContact CB-CG2 3.76Å
79	K	96.9	Very high	95.4	Very high	54 Å²	54	35.8 Å²	35.8	24%	0.235	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-45.6	180	-176.7	174.3	-173.9	172	0	113.5	F74 E75 V81 A82 E83 Y126	F74-K79 HydrophobicContact CE1-CB 4.01Å; F74-K79 HydrophobicContact CE1-CD 4.29Å; F74-K79 HydrophobicContact CE1-CG 4.47Å; F74-K79 HydrophobicContact CZ-CB 4.11Å; F74-K79 PolarHBondContact O-N 3.24Å; E75-K79 VanDerWaalsContact CD-CD 3.46Å; E75-K79 VanDerWaalsContact OE1-CD 3.24Å; E75-K79 WeakPolarHBondContact OE1-CD 3.43Å; E75-K79 IonicContact OE1-NZ 3.85Å; E75-K79 PolarHBondContact OE1-NZ 2.89Å; E75-K79 VanDerWaalsContact OE2-CD 3.26Å; E75-K79 WeakPolarHBondContact OE2-CD 3.3Å; E75-K79 WeakPolarHBondContact OE2-CE 3.49Å; E75-K79 IonicContact OE2-NZ 3.96Å; E75-K79 PolarHBondContact OE2-NZ 3.31Å; K79-V81 VanDerWaalsContact C-N 3.27Å; K79-V81 PolarHBondContact O-N 3.14Å; K79-A82 PolarHBondContact O-N 2.98Å; K79-A82 VanDerWaalsContact O-N 3.14Å; K79-E83 WeakPolarHBondContact O-CG 3.44Å; K79-E83 PolarHBondContact O-N 2.93Å; K79-Y126 HydrophobicContact CD-CE2 4.18Å; K79-Y126 WeakPolarHBondContact CE-OH 3.46Å; K79-Y126 HydrophobicContact CG-CE1 4.1Å; K79-Y126 HydrophobicContact CG-CE2 4.15Å
80	P	96.2	Very high	95.6	Very high	66 Å²	66	29.5 Å²	29.5	43%	0.429	16%	0.159	S	C	.	.	H	α-helix	trans	-60.9	-33.8	174.9	-24.2	35.5	0	0	0	113.5	E75 S84	E75-P80 WeakPolarHBondContact O-CD 3.12Å; P80-S84 PolarHBondContact O-N 2.98Å; P80-S84 VanDerWaalsContact O-N 3.16Å; P80-S84 PolarHBondContact O-OG 3.46Å
81	V	96.4	Very high	95.8	Very high	8 Å²	8	29.2 Å²	29.2	5%	0.048	16%	0.158	C	C	.	.	H	α-helix	trans	-74.5	-37.8	176.2	-178.7	0	0	0	0	110.6	I77 A78 K79 S84 V85 I93 L246	I77-V81 WeakPolarHBondContact O-CG2 3.42Å; A78-V81 PolarHBondContact O-N 2.86Å; A78-V81 VanDerWaalsContact O-N 3.15Å; K79-V81 VanDerWaalsContact C-N 3.27Å; K79-V81 PolarHBondContact O-N 3.14Å; V81-S84 WeakPolarHBondContact O-CB 3.43Å; V81-S84 PolarHBondContact O-N 2.89Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.22Å; V81-V85 PolarHBondContact O-N 3.12Å; V81-I93 HydrophobicContact CB-CD1 4.14Å; V81-I93 HydrophobicContact CB-CG1 4.33Å; V81-I93 HydrophobicContact CG1-CD1 4.37Å; V81-I93 HydrophobicContact CG1-CG1 4.17Å; V81-I93 HydrophobicContact CG2-CD1 4.26Å; V81-I93 HydrophobicContact CG2-CG1 4.2Å; V81-L246 HydrophobicContact CG1-CD1 3.7Å
82	A	97	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-41.7	173.3	0	0	0	0	0	112.3	A78 K79 S84 V85 L86 T123 Y126 L127	A78-A82 PolarHBondContact O-N 3.49Å; K79-A82 PolarHBondContact O-N 2.98Å; K79-A82 VanDerWaalsContact O-N 3.14Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 3.17Å; A82-V85 PolarHBondContact O-N 3.29Å; A82-L86 WeakPolarHBondContact O-CG 3.25Å; A82-L86 PolarHBondContact O-N 3.41Å; A82-T123 HydrophobicContact CB-CG2 4.41Å; A82-Y126 HydrophobicContact CB-CD1 3.97Å; A82-Y126 HydrophobicContact CB-CE1 4.02Å; A82-L127 HydrophobicContact CB-CD2 4.46Å
83	E	96.1	Very high	96.1	Very high	67 Å²	67	23.8 Å²	23.8	31%	0.313	13%	0.127	S	C	.	.	H	α-helix	trans	-59.2	-43	171.4	-67.2	-53.7	96.4	0	0	111.7	K79 V85 L86 A87 Y126 R130	K79-E83 WeakPolarHBondContact O-CG 3.44Å; K79-E83 PolarHBondContact O-N 2.93Å; E83-V85 PolarHBondContact O-N 3.46Å; E83-L86 PolarHBondContact O-N 2.96Å; E83-A87 WeakPolarHBondContact O-CB 3.49Å; E83-A87 PolarHBondContact O-N 2.92Å; E83-Y126 VanDerWaalsContact CD-OH 3.28Å; E83-Y126 VanDerWaalsContact OE1-CE1 3.23Å; E83-Y126 WeakPolarHBondContact OE1-CE1 3.17Å; E83-Y126 VanDerWaalsContact OE1-CZ 3.3Å; E83-Y126 PolarHBondContact OE1-OH 2.86Å; E83-R130 IonicContact OE1-CZ 3.91Å; E83-R130 VanDerWaalsContact OE1-CZ 3.26Å; E83-R130 IonicContact OE1-NH1 3.22Å; E83-R130 PolarHBondContact OE1-NH1 3.39Å; E83-R130 IonicContact OE1-NH2 2.69Å; E83-R130 PolarHBondContact OE1-NH2 2.85Å; E83-R130 VanDerWaalsContact OE1-NH2 3.11Å; E83-R130 IonicContact OE2-CZ 3.06Å; E83-R130 IonicContact OE2-NH1 3.14Å; E83-R130 PolarHBondContact OE2-NH1 2.94Å; E83-R130 IonicContact OE2-NH2 3.19Å; E83-R130 PolarHBondContact OE2-NH2 2.97Å
84	S	95.3	Very high	96.2	Very high	29 Å²	29	23.9 Å²	23.9	20%	0.203	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-36	177.8	-55.1	0	0	0	0	111.4	P80 V81 A82 G88 Y89	P80-S84 PolarHBondContact O-N 2.98Å; P80-S84 VanDerWaalsContact O-N 3.16Å; P80-S84 PolarHBondContact O-OG 3.46Å; V81-S84 WeakPolarHBondContact O-CB 3.43Å; V81-S84 PolarHBondContact O-N 2.89Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 3.17Å; S84-G88 PolarHBondContact O-N 2.67Å; S84-Y89 WeakPolarHBondContact O-CB 3.46Å; S84-Y89 WeakPolarHBondContact O-CD2 3.4Å; S84-Y89 PolarHBondContact O-N 3.33Å
85	V	96.4	Very high	96.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-73.3	-41.4	176.4	167.1	0	0	0	0	111.8	V81 A82 E83 A87 G88 Y89 L231 S244 L246	V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.22Å; V81-V85 PolarHBondContact O-N 3.12Å; A82-V85 PolarHBondContact O-N 3.29Å; E83-V85 PolarHBondContact O-N 3.46Å; V85-A87 VanDerWaalsContact C-N 3.26Å; V85-A87 PolarHBondContact O-N 2.88Å; V85-G88 PolarHBondContact O-N 3.29Å; V85-G88 VanDerWaalsContact O-N 3.15Å; V85-Y89 WeakPolarHBondContact CA-O 3.41Å; V85-L231 HydrophobicContact CG1-CB 4.43Å; V85-L231 HydrophobicContact CG1-CD2 4.2Å; V85-S244 VanDerWaalsContact O-CB 3.31Å; V85-S244 WeakPolarHBondContact O-CB 3.43Å; V85-S244 PolarHBondContact O-OG 3.39Å; V85-L246 HydrophobicContact CG1-CB 4.17Å; V85-L246 HydrophobicContact CG2-CB 3.89Å; V85-L246 HydrophobicContact CG2-CD1 4.27Å; V85-L246 HydrophobicContact CG2-CD2 4.27Å; V85-L246 HydrophobicContact CG2-CG 4.36Å
86	L	94.8	Very high	96.2	Very high	4 Å²	4	20 Å²	20	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-30.5	172.7	-75.3	164.3	0	0	0	112.9	A82 E83 Y126 L127 R130 F131 Y139 L231 R233	A82-L86 WeakPolarHBondContact O-CG 3.25Å; A82-L86 PolarHBondContact O-N 3.41Å; E83-L86 PolarHBondContact O-N 2.96Å; L86-Y126 HydrophobicContact CD1-CE1 4.43Å; L86-L127 HydrophobicContact CD1-CD2 4.01Å; L86-L127 HydrophobicContact CD2-CD2 3.78Å; L86-L127 HydrophobicContact CG-CD2 3.68Å; L86-R130 HydrophobicContact CD1-CB 3.88Å; L86-R130 HydrophobicContact CD1-CG 3.78Å; L86-R130 HydrophobicContact CD2-CB 4.3Å; L86-F131 HydrophobicContact CD2-CD1 4.27Å; L86-F131 HydrophobicContact CD2-CE1 3.86Å; L86-Y139 HydrophobicContact CD2-CE1 4.04Å; L86-L231 HydrophobicContact CD2-CD2 4.04Å; L86-R233 WeakPolarHBondContact O-CD 3.25Å; L86-R233 PolarHBondContact O-NH1 3.44Å; L86-R233 VanDerWaalsContact O-NH1 3.16Å
87	A	93.2	Very high	96.1	Very high	38 Å²	38	17.4 Å²	17.4	31%	0.314	10%	0.095	S	C	.	.	H	α-helix	trans	-73.9	-29.6	174.1	0	0	0	0	0	113.1	E83 V85 Y89 R242 L351	E83-A87 WeakPolarHBondContact O-CB 3.49Å; E83-A87 PolarHBondContact O-N 2.92Å; V85-A87 VanDerWaalsContact C-N 3.26Å; V85-A87 PolarHBondContact O-N 2.88Å; A87-Y89 HydrophobicContact CB-CD2 4.23Å; A87-Y89 HydrophobicContact CB-CE2 4.39Å; A87-R242 VanDerWaalsContact O-CD 3.23Å; A87-R242 WeakPolarHBondContact O-CD 3.45Å; A87-L351 VanDerWaalsContact O-CD1 3.29Å; A87-L351 WeakPolarHBondContact O-CD1 3.35Å
88	G	94.4	Very high	95.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.6	16.2	178.9	0	0	0	0	0	116	S84 V85 N352	S84-G88 PolarHBondContact O-N 2.67Å; V85-G88 PolarHBondContact O-N 3.29Å; V85-G88 VanDerWaalsContact O-N 3.15Å; G88-N352 PolarHBondContact O-N 3.18Å; G88-N352 PolarHBondContact O-ND2 3.38Å
89	Y	96.1	Very high	95.4	Very high	51 Å²	51	20.3 Å²	20.3	20%	0.2	11%	0.112	C	C	.	.			trans	-91.1	152.8	170	-61.8	-83.8	0	0	0	111	S84 V85 A87 S244 M315 A349 I350 L351	S84-Y89 WeakPolarHBondContact O-CB 3.46Å; S84-Y89 WeakPolarHBondContact O-CD2 3.4Å; S84-Y89 PolarHBondContact O-N 3.33Å; V85-Y89 WeakPolarHBondContact CA-O 3.41Å; A87-Y89 HydrophobicContact CB-CD2 4.23Å; A87-Y89 HydrophobicContact CB-CE2 4.39Å; Y89-S244 WeakPolarHBondContact O-CB 3.33Å; Y89-M315 HydrophobicContact CD1-CE 3.99Å; Y89-M315 HydrophobicContact CD2-CE 4.36Å; Y89-M315 HydrophobicContact CE1-CE 4.24Å; Y89-M315 HydrophobicContact CG-CE 4.06Å; Y89-A349 HydrophobicContact CD1-CB 4.18Å; Y89-I350 VanDerWaalsContact CD1-O 3.28Å; Y89-I350 WeakPolarHBondContact CD1-O 3.41Å; Y89-L351 HydrophobicContact CD2-CD1 4.48Å; Y89-L351 HydrophobicContact CE1-CB 4Å; Y89-L351 HydrophobicContact CE2-CD1 4.21Å
90	N	96.7	Very high	94.8	Very high	17 Å²	17	20.1 Å²	20.1	9%	0.091	13%	0.125	C	C	.	.			trans	-72.6	146.3	166.1	-61.3	-38.7	0	0	0	110.4	K245 N313 C314 M315 N352	N90-K245 CarbonylContact C-O 3.6Å; N90-K245 WeakPolarHBondContact CA-O 3.45Å; N90-K245 WeakPolarHBondContact OD1-CB 3.5Å; N90-K245 PolarHBondContact OD1-N 2.89Å; N90-N313 WeakPolarHBondContact CB-O 3.45Å; N90-N313 PolarHBondContact ND2-O 2.95Å; N90-C314 HydrophobicContact CB-CB 4.34Å; N90-M315 WeakPolarHBondContact O-CB 3.36Å; N90-M315 PolarHBondContact O-N 3.3Å; N90-N352 PolarHBondContact OD1-ND2 3.04Å
91	G	97.2	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.3	177.3	0	0	0	0	0	112.3	K245 L246 H247 M315	G91-K245 PolarHBondContact N-O 2.77Å; G91-L246 WeakPolarHBondContact O-CA 3.34Å; G91-H247 PolarHBondContact O-N 2.97Å; G91-M315 WeakPolarHBondContact CA-O 3.15Å
92	T	98.1	Very high	94.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	130.6	171.4	-65.4	0	0	0	0	110.5	F94 H247 S309 C314 M315 T316 T317	T92-F94 HydrophobicContact CG2-CD1 4.4Å; T92-H247 CarbonylContact C-O 3.53Å; T92-H247 VanDerWaalsContact CA-O 3.3Å; T92-H247 WeakPolarHBondContact CA-O 2.91Å; T92-H247 HydrophobicContact CG2-CB 4.01Å; T92-S309 PolarHBondContact OG1-OG 3.29Å; T92-C314 PolarHBondContact N-SG 3.05Å; T92-C314 PolarHBondContact OG1-SG 2.81Å; T92-M315 PolarHBondContact N-O 3.4Å; T92-T316 HydrophobicContact CG2-CG2 4.12Å; T92-T316 CarbonylContact O-C 3.6Å; T92-T316 WeakPolarHBondContact O-CA 3.31Å; T92-T317 PolarHBondContact O-N 2.9Å
93	I	98.4	Very high	94.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.3	171.6	-50.3	178.1	0	0	0	107.4	I77 A78 V81 I119 H247 L248 V249 T317 I319	I77-I93 HydrophobicContact CG2-CG2 4.42Å; A78-I93 HydrophobicContact CB-CD1 3.85Å; V81-I93 HydrophobicContact CB-CD1 4.14Å; V81-I93 HydrophobicContact CB-CG1 4.33Å; V81-I93 HydrophobicContact CG1-CD1 4.37Å; V81-I93 HydrophobicContact CG1-CG1 4.17Å; V81-I93 HydrophobicContact CG2-CD1 4.26Å; V81-I93 HydrophobicContact CG2-CG1 4.2Å; I93-I119 HydrophobicContact CD1-CG2 4.18Å; I93-I119 HydrophobicContact CG2-CD1 4.26Å; I93-H247 PolarHBondContact N-O 3.14Å; I93-L248 HydrophobicContact CB-CD2 3.88Å; I93-L248 HydrophobicContact CD1-CD2 3.79Å; I93-L248 HydrophobicContact CG1-CD2 3.95Å; I93-L248 WeakPolarHBondContact O-CA 3.29Å; I93-V249 PolarHBondContact O-N 3.46Å; I93-T317 WeakPolarHBondContact CA-O 3.06Å; I93-I319 HydrophobicContact CG2-CD1 3.76Å; I93-I319 HydrophobicContact CG2-CG1 4.15Å
94	F	97.3	Very high	93.9	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.013	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.8	176.5	70.5	-88.8	0	0	0	112.5	T92 V249 L251 L310 T316 T317 M318 I319 V342	T92-F94 HydrophobicContact CG2-CD1 4.4Å; F94-V249 WeakPolarHBondContact CA-O 3.3Å; F94-V249 HydrophobicContact CB-CB 3.77Å; F94-V249 HydrophobicContact CB-CG1 4.32Å; F94-V249 HydrophobicContact CB-CG2 4.44Å; F94-L251 HydrophobicContact CD2-CD1 3.78Å; F94-L251 HydrophobicContact CE2-CD1 4.43Å; F94-L310 HydrophobicContact CE1-CD2 4.48Å; F94-T316 HydrophobicContact CD1-CG2 4.1Å; F94-T316 HydrophobicContact CE1-CG2 3.84Å; F94-T317 PolarHBondContact N-O 2.85Å; F94-T317 VanDerWaalsContact N-O 3.08Å; F94-M318 HydrophobicContact CD1-CB 4.42Å; F94-M318 HydrophobicContact CD2-CG 4.12Å; F94-M318 HydrophobicContact CE1-CB 3.87Å; F94-M318 HydrophobicContact CE1-CG 4.36Å; F94-M318 HydrophobicContact CE2-CB 3.99Å; F94-M318 HydrophobicContact CE2-CG 3.54Å; F94-M318 HydrophobicContact CE2-SD 4.09Å; F94-M318 HydrophobicContact CZ-CB 3.64Å; F94-M318 HydrophobicContact CZ-CG 3.68Å; F94-M318 HydrophobicContact CZ-SD 4.14Å; F94-M318 WeakPolarHBondContact O-CA 3.5Å; F94-I319 PolarHBondContact O-N 2.84Å; F94-V342 HydrophobicContact CZ-CG1 4.15Å
95	A	96.8	Very high	93.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.1	172.1	0	0	0	0	0	110.6	K103 I107 V249 L251 I319	A95-K103 HydrophobicContact CB-CB 3.83Å; A95-K103 HydrophobicContact CB-CG 4.07Å; A95-I107 HydrophobicContact CB-CD1 3.93Å; A95-I107 HydrophobicContact CB-CG1 3.62Å; A95-V249 PolarHBondContact N-O 3.18Å; A95-L251 WeakPolarHBondContact O-CB 3.43Å; A95-L251 WeakPolarHBondContact O-CG 3.25Å; A95-I319 WeakPolarHBondContact CA-O 3.41Å
96	Y	95.5	Very high	93.7	Very high	23 Å²	23	19.8 Å²	19.8	9%	0.09	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.7	-178.2	179.4	-90.7	0	0	0	111.3	L251 L277 M318 I319 A320 T321 T335 F338	Y96-L251 HydrophobicContact CD2-CD1 3.86Å; Y96-L277 HydrophobicContact CD2-CD2 4.49Å; Y96-L277 HydrophobicContact CE2-CD2 4.14Å; Y96-M318 HydrophobicContact CD1-CE 3.68Å; Y96-M318 HydrophobicContact CG-CE 4Å; Y96-I319 PolarHBondContact N-O 3.18Å; Y96-A320 CarbonylContact O-C 3.58Å; Y96-A320 WeakPolarHBondContact O-CA 3.29Å; Y96-T321 PolarHBondContact O-N 3.37Å; Y96-T321 PolarHBondContact O-OG1 3.4Å; Y96-T335 HydrophobicContact CD1-CG2 3.97Å; Y96-T335 HydrophobicContact CE1-CG2 4.28Å; Y96-F338 AromaticContact CD1-CD1 3.46Å; Y96-F338 HydrophobicContact CD1-CD1 3.46Å; Y96-F338 VanDerWaalsContact CD1-CD1 3.46Å; Y96-F338 AromaticContact CD1-CE1 3.69Å; Y96-F338 HydrophobicContact CD1-CE1 3.69Å; Y96-F338 HydrophobicContact CD1-CG 4.28Å; Y96-F338 HydrophobicContact CD2-CD1 4.4Å; Y96-F338 AromaticContact CD2-CE1 3.82Å; Y96-F338 HydrophobicContact CD2-CE1 3.82Å; Y96-F338 HydrophobicContact CD2-CZ 4.2Å; Y96-F338 HydrophobicContact CE1-CB 3.97Å; Y96-F338 AromaticContact CE1-CD1 3.26Å; Y96-F338 HydrophobicContact CE1-CD1 3.26Å; Y96-F338 HydrophobicContact CE1-CD2 4.32Å; Y96-F338 AromaticContact CE1-CE1 3.67Å; Y96-F338 HydrophobicContact CE1-CE1 3.67Å; Y96-F338 AromaticContact CE1-CG 3.62Å; Y96-F338 HydrophobicContact CE1-CG 3.62Å; Y96-F338 HydrophobicContact CE1-CZ 4.34Å; Y96-F338 HydrophobicContact CE2-CD1 4.22Å; Y96-F338 AromaticContact CE2-CE1 3.77Å; Y96-F338 HydrophobicContact CE2-CE1 3.77Å; Y96-F338 HydrophobicContact CE2-CE2 4.36Å; Y96-F338 AromaticContact CE2-CZ 3.83Å; Y96-F338 HydrophobicContact CE2-CZ 3.83Å; Y96-F338 HydrophobicContact CG-CD1 4.05Å; Y96-F338 AromaticContact CG-CE1 3.77Å; Y96-F338 HydrophobicContact CG-CE1 3.77Å; Y96-F338 AromaticContact CZ-CD1 3.66Å; Y96-F338 AromaticContact CZ-CE1 3.7Å; Y96-F338 AromaticContact CZ-CG 3.84Å; Y96-F338 AromaticContact CZ-CZ 3.9Å
97	G	93.2	Very high	93.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	143.5	-178.1	-177.1	0	0	0	0	0	112	K103 S254	G97-K103 PolarHBondContact O-NZ 2.71Å; G97-S254 PolarHBondContact O-N 2.87Å; G97-S254 PolarHBondContact O-OG 3.31Å
98	Q	89.1	Confident	93.7	Very high	8 Å²	8	19 Å²	19	4%	0.037	11%	0.113	C	C	.	.	S	Bend	trans	-66	166.3	-173.5	71	171.9	121.4	0	0	114.1	S101 K103 S254 D255 N328 E331	Q98-S101 WeakPolarHBondContact O-CB 3.38Å; Q98-S101 PolarHBondContact O-N 2.95Å; Q98-S101 PolarHBondContact O-OG 2.87Å; Q98-K103 PolarHBondContact O-NZ 3.12Å; Q98-K103 VanDerWaalsContact O-NZ 3.08Å; Q98-S254 PolarHBondContact N-OG 3.5Å; Q98-D255 WeakPolarHBondContact CB-OD1 3.35Å; Q98-D255 PolarHBondContact NE2-OD1 3.22Å; Q98-N328 PolarHBondContact NE2-OD1 2.98Å; Q98-N328 VanDerWaalsContact OE1-CB 3.22Å; Q98-N328 PolarHBondContact OE1-O 3.49Å; Q98-E331 HydrophobicContact CB-CB 4.16Å
99	T	87.7	Confident	93.4	Very high	56 Å²	56	19.6 Å²	19.6	34%	0.344	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	136.1	171.2	-53.9	0	0	0	0	110.2	S101 T221 D255	T99-S101 PolarHBondContact O-N 3.07Å; T99-S101 VanDerWaalsContact O-N 3.14Å; T99-T221 HydrophobicContact CG2-CG2 3.72Å; T99-D255 WeakPolarHBondContact CB-OD2 3.42Å; T99-D255 PolarHBondContact N-OD2 2.84Å; T99-D255 PolarHBondContact OG1-OD2 3.19Å
100	G	85.9	Confident	92.5	Very high	50 Å²	50	18.2 Å²	18.2	52%	0.515	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	5.1	179.8	0	0	0	0	0	116.3	K13 G102	K13-G100 WeakPolarHBondContact CD-O 3.32Å; K13-G100 WeakPolarHBondContact CE-O 3.21Å; K13-G100 PolarHBondContact NZ-O 3.26Å; G100-G102 VanDerWaalsContact C-N 3.33Å
101	S	90.1	Very high	90.8	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	-76.8	-11.5	175.5	63	0	0	0	0	115	Q98 T99 T321	Q98-S101 WeakPolarHBondContact O-CB 3.38Å; Q98-S101 PolarHBondContact O-N 2.95Å; Q98-S101 PolarHBondContact O-OG 2.87Å; T99-S101 PolarHBondContact O-N 3.07Å; T99-S101 VanDerWaalsContact O-N 3.14Å; S101-T321 WeakPolarHBondContact CB-O 3.33Å; S101-T321 PolarHBondContact OG-O 3.26Å; S101-T321 PolarHBondContact OG-OG1 3.41Å
102	G	91.1	Very high	89	Confident	18 Å²	18	23.7 Å²	23.7	19%	0.186	16%	0.158	C	C	.	.	S	Bend	trans	111	17.6	174.8	0	0	0	0	0	116.7	G100 F105 T106	G100-G102 VanDerWaalsContact C-N 3.33Å; G102-F105 PolarHBondContact O-N 2.85Å; G102-T106 WeakPolarHBondContact O-CB 3.44Å; G102-T106 PolarHBondContact O-N 3.37Å; G102-T106 PolarHBondContact O-OG1 2.7Å
103	K	93.9	Very high	87.7	Confident	13 Å²	13	29.2 Å²	29.2	6%	0.057	18%	0.178	C	C	.	.	H	α-helix	trans	-54.8	-63.5	175.2	-60.2	-169.7	-61.5	-73.2	0	112.9	A95 G97 Q98 F105 T106 I107 D250 L251 A252 T321	A95-K103 HydrophobicContact CB-CB 3.83Å; A95-K103 HydrophobicContact CB-CG 4.07Å; G97-K103 PolarHBondContact O-NZ 2.71Å; Q98-K103 PolarHBondContact O-NZ 3.12Å; Q98-K103 VanDerWaalsContact O-NZ 3.08Å; K103-F105 VanDerWaalsContact C-N 3.28Å; K103-F105 PolarHBondContact O-N 3.03Å; K103-T106 WeakPolarHBondContact O-CA 3.44Å; K103-T106 WeakPolarHBondContact O-CB 3.39Å; K103-T106 PolarHBondContact O-N 3.43Å; K103-I107 PolarHBondContact O-N 2.97Å; K103-D250 VanDerWaalsContact C-OD1 3.22Å; K103-D250 WeakPolarHBondContact CB-OD1 3.47Å; K103-L251 WeakPolarHBondContact CE-O 3.39Å; K103-A252 WeakPolarHBondContact CE-O 3.49Å; K103-A252 PolarHBondContact NZ-O 3.23Å; K103-T321 HydrophobicContact CG-CG2 4.38Å; K103-T321 WeakPolarHBondContact CG-OG1 3.24Å
104	T	91.6	Very high	86.4	Confident	51 Å²	51	36.5 Å²	36.5	31%	0.313	21%	0.207	S	C	.	.	H	α-helix	trans	-58.2	-38.5	178.2	-41.9	0	0	0	0	112.5	T106 I107 T108 G109 D250	T104-T106 VanDerWaalsContact C-N 3.27Å; T104-T106 PolarHBondContact O-N 2.89Å; T104-I107 PolarHBondContact O-N 3.46Å; T104-T108 WeakPolarHBondContact O-CA 3.4Å; T104-T108 PolarHBondContact O-N 3.25Å; T104-G109 PolarHBondContact O-N 3.02Å; T104-G109 VanDerWaalsContact O-N 3.07Å; T104-D250 WeakPolarHBondContact CA-OD1 3.24Å; T104-D250 VanDerWaalsContact CA-OD2 3.3Å; T104-D250 WeakPolarHBondContact CA-OD2 3.26Å; T104-D250 WeakPolarHBondContact CB-OD2 3.08Å; T104-D250 VanDerWaalsContact CG2-OD2 3.3Å; T104-D250 WeakPolarHBondContact CG2-OD2 3.28Å; T104-D250 PolarHBondContact N-OD1 2.86Å; T104-D250 PolarHBondContact OG1-OD1 3.02Å; T104-D250 PolarHBondContact OG1-OD2 3.34Å
105	F	91.9	Very high	85.5	Confident	78 Å²	78	40.7 Å²	40.7	34%	0.342	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-30.6	174	-174.3	-97.6	0	0	0	112.2	Q70 G102 K103 G109 D116	Q70-F105 HydrophobicContact CG-CE1 4.37Å; Q70-F105 HydrophobicContact CG-CZ 4.47Å; Q70-F105 PolarHBondContact NE2-O 2.98Å; G102-F105 PolarHBondContact O-N 2.85Å; K103-F105 VanDerWaalsContact C-N 3.28Å; K103-F105 PolarHBondContact O-N 3.03Å; F105-G109 VanDerWaalsContact O-CA 3.25Å; F105-G109 WeakPolarHBondContact O-CA 3.45Å; F105-G109 PolarHBondContact O-N 3.09Å; F105-D116 HydrophobicContact CE2-CB 4.09Å; F105-D116 HydrophobicContact CZ-CB 4.2Å
106	T	95.3	Very high	85	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-78.8	-41.3	175.3	-55.5	0	0	0	0	111.9	R11 I73 G102 K103 T104 I119 I319	R11-T106 WeakPolarHBondContact CD-OG1 3.49Å; R11-T106 PolarHBondContact NH1-OG1 3.09Å; I73-T106 HydrophobicContact CG2-CG2 3.99Å; G102-T106 WeakPolarHBondContact O-CB 3.44Å; G102-T106 PolarHBondContact O-N 3.37Å; G102-T106 PolarHBondContact O-OG1 2.7Å; K103-T106 WeakPolarHBondContact O-CA 3.44Å; K103-T106 WeakPolarHBondContact O-CB 3.39Å; K103-T106 PolarHBondContact O-N 3.43Å; T104-T106 VanDerWaalsContact C-N 3.27Å; T104-T106 PolarHBondContact O-N 2.89Å; T106-I119 HydrophobicContact CG2-CD1 3.92Å; T106-I119 WeakPolarHBondContact O-CG1 3.48Å; T106-I119 PolarHBondContact O-N 2.97Å; T106-I319 HydrophobicContact CG2-CD1 3.7Å; T106-I319 HydrophobicContact CG2-CG2 4.24Å
107	I	95.5	Very high	84.7	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-80.4	-59.4	-175.2	-62.1	-64.6	0	0	0	111.8	A95 K103 T104 I119 I120 D250	A95-I107 HydrophobicContact CB-CD1 3.93Å; A95-I107 HydrophobicContact CB-CG1 3.62Å; K103-I107 PolarHBondContact O-N 2.97Å; T104-I107 PolarHBondContact O-N 3.46Å; I107-I119 PolarHBondContact O-N 3.14Å; I107-I120 HydrophobicContact CG2-CD1 3.51Å; I107-I120 HydrophobicContact CG2-CG1 3.84Å; I107-I120 WeakPolarHBondContact O-CG1 3.39Å; I107-I120 PolarHBondContact O-N 3.38Å; I107-D250 HydrophobicContact CB-CB 4.15Å; I107-D250 HydrophobicContact CG1-CB 4.23Å; I107-D250 HydrophobicContact CG2-CB 4.08Å
108	T	92	Very high	84.8	Confident	23 Å²	23	43.7 Å²	43.7	14%	0.141	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-50.2	178.9	-57.9	0	0	0	0	111.4	T104 G118 P121 D206 R209	T104-T108 WeakPolarHBondContact O-CA 3.4Å; T104-T108 PolarHBondContact O-N 3.25Å; T108-G118 WeakPolarHBondContact O-CA 3.48Å; T108-G118 PolarHBondContact O-N 2.96Å; T108-P121 WeakPolarHBondContact O-CD 3.23Å; T108-P121 WeakPolarHBondContact O-CG 3.37Å; T108-D206 WeakPolarHBondContact CG2-OD2 3.34Å; T108-R209 PolarHBondContact OG1-NH2 3.44Å
109	G	88.5	Confident	85.1	Confident	14 Å²	14	43.3 Å²	43.3	14%	0.144	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	116.2	-177.3	-172.5	0	0	0	0	0	114.2	T104 F105 D116 G118	T104-G109 PolarHBondContact O-N 3.02Å; T104-G109 VanDerWaalsContact O-N 3.07Å; F105-G109 VanDerWaalsContact O-CA 3.25Å; F105-G109 WeakPolarHBondContact O-CA 3.45Å; F105-G109 PolarHBondContact O-N 3.09Å; G109-D116 CarbonylContact C-O 3.47Å; G109-D116 WeakPolarHBondContact CA-O 3.31Å; G109-G118 VanDerWaalsContact CA-N 3.29Å
110	G	77.3	Confident	85.6	Confident	22 Å²	22	40.7 Å²	40.7	23%	0.227	23%	0.229	C	C	.	.			trans	-84.3	136.6	159.5	0	0	0	0	0	110.2	E112 D116	G110-E112 VanDerWaalsContact C-N 3.32Å; G110-D116 PolarHBondContact N-O 3.09Å
111	A	61	Low	86	Confident	68 Å²	68	38.6 Å²	38.6	56%	0.562	21%	0.206	S	C	*	.	S	Bend	trans	-79	-16.8	177.3	0	0	0	0	0	113.2	L654	A111-L654 HydrophobicContact CB-CD1 3.68Å
112	E	59	Low	86.3	Confident	64 Å²	64	40.9 Å²	40.9	30%	0.299	21%	0.214	S	C	.	.	S	Bend	trans	-76.3	-29.5	-169	-63.7	170.2	179	0	0	113.5	G110 T574 N578 K661	G110-E112 VanDerWaalsContact C-N 3.32Å; E112-T574 HydrophobicContact CB-CG2 4Å; E112-T574 WeakPolarHBondContact O-CG2 3.47Å; E112-N578 PolarHBondContact O-ND2 3.1Å; E112-K661 IonicContact OE1-NZ 3.06Å; E112-K661 PolarHBondContact OE1-NZ 3.29Å
113	R	69.7	Low	86.6	Confident	116 Å²	116	40 Å²	40	44%	0.438	21%	0.205	S	C	.	.			trans	-142.1	141.9	-178.3	-63.9	-176.4	-62.8	-124.6	-4.3	112.5	V115 D116 T574	R113-V115 VanDerWaalsContact C-N 3.29Å; R113-V115 HydrophobicContact CB-CG2 4.13Å; R113-V115 PolarHBondContact O-N 2.98Å; R113-D116 IonicContact CZ-OD2 2.78Å; R113-D116 IonicContact NE-OD2 2.86Å; R113-D116 PolarHBondContact NE-OD2 3.34Å; R113-D116 IonicContact NH2-OD2 3.25Å; R113-D116 PolarHBondContact NH2-OD2 2.81Å; R113-D116 PolarHBondContact O-N 2.74Å; R113-T574 HydrophobicContact CG-CG2 3.75Å
114	Y	71.8	Confident	86.7	Confident	154 Å²	154	39.4 Å²	39.4	60%	0.604	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-57.2	-38.6	180	-173.7	-82.5	0	0	0	113.4	D116 R117	Y114-D116 PolarHBondContact O-N 2.94Å; Y114-R117 VanDerWaalsContact O-CB 3.27Å; Y114-R117 WeakPolarHBondContact O-CB 3.38Å; Y114-R117 VanDerWaalsContact O-CG 3.27Å; Y114-R117 WeakPolarHBondContact O-CG 3.4Å; Y114-R117 PolarHBondContact O-N 2.89Å
115	V	79.6	Confident	86.9	Confident	90 Å²	90	38.1 Å²	38.1	55%	0.545	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-62.9	-28.2	178.5	-64.1	0	0	0	0	113.2	R113 R117 R122	R113-V115 VanDerWaalsContact C-N 3.29Å; R113-V115 HydrophobicContact CB-CG2 4.13Å; R113-V115 PolarHBondContact O-N 2.98Å; V115-R117 VanDerWaalsContact C-N 3.31Å; V115-R117 PolarHBondContact O-N 2.71Å; V115-R122 PolarHBondContact O-NH2 2.69Å
116	D	85.3	Confident	87.1	Confident	31 Å²	31	35 Å²	35	17%	0.166	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-85.9	0.5	-178	-69.7	-51.4	0	0	0	113.3	Q70 F105 G109 G110 R113 Y114 G118	Q70-D116 PolarHBondContact NE2-O 2.89Å; F105-D116 HydrophobicContact CE2-CB 4.09Å; F105-D116 HydrophobicContact CZ-CB 4.2Å; G109-D116 CarbonylContact C-O 3.47Å; G109-D116 WeakPolarHBondContact CA-O 3.31Å; G110-D116 PolarHBondContact N-O 3.09Å; R113-D116 IonicContact CZ-OD2 2.78Å; R113-D116 IonicContact NE-OD2 2.86Å; R113-D116 PolarHBondContact NE-OD2 3.34Å; R113-D116 IonicContact NH2-OD2 3.25Å; R113-D116 PolarHBondContact NH2-OD2 2.81Å; R113-D116 PolarHBondContact O-N 2.74Å; Y114-D116 PolarHBondContact O-N 2.94Å; D116-G118 PolarHBondContact O-N 2.82Å
117	R	89.2	Confident	87.1	Confident	53 Å²	53	35 Å²	35	20%	0.2	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-52.9	132.8	168.9	-77.6	179.3	172	-155.7	1	111.2	Q70 Y114 V115 P121 R122	Q70-R117 VanDerWaalsContact CB-O 3.29Å; Q70-R117 WeakPolarHBondContact CB-O 3.48Å; Y114-R117 VanDerWaalsContact O-CB 3.27Å; Y114-R117 WeakPolarHBondContact O-CB 3.38Å; Y114-R117 VanDerWaalsContact O-CG 3.27Å; Y114-R117 WeakPolarHBondContact O-CG 3.4Å; Y114-R117 PolarHBondContact O-N 2.89Å; V115-R117 VanDerWaalsContact C-N 3.31Å; V115-R117 PolarHBondContact O-N 2.71Å; R117-P121 HydrophobicContact CB-CB 4.4Å; R117-P121 HydrophobicContact CB-CG 3.78Å; R117-P121 HydrophobicContact CG-CB 4.45Å; R117-P121 HydrophobicContact CG-CG 4.16Å; R117-R122 PolarHBondContact O-NE 2.99Å
118	G	94.6	Very high	87.1	Confident	2 Å²	2	35.7 Å²	35.7	2%	0.021	18%	0.184	C	C	.	.			trans	-89.9	-159.6	-175.2	0	0	0	0	0	113.9	T108 G109 D116 P121 R122	T108-G118 WeakPolarHBondContact O-CA 3.48Å; T108-G118 PolarHBondContact O-N 2.96Å; G109-G118 VanDerWaalsContact CA-N 3.29Å; D116-G118 PolarHBondContact O-N 2.82Å; G118-P121 WeakPolarHBondContact O-CD 3.43Å; G118-P121 WeakPolarHBondContact O-CG 3.38Å; G118-R122 WeakPolarHBondContact O-CB 3.48Å; G118-R122 WeakPolarHBondContact O-CD 3.43Å; G118-R122 VanDerWaalsContact O-CG 3.29Å; G118-R122 WeakPolarHBondContact O-CG 3.27Å; G118-R122 PolarHBondContact O-N 3.03Å
119	I	97.1	Very high	87.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-45.7	-175.1	-73.7	172.8	0	0	0	112.9	I73 A78 I93 T106 I107 T123 L248 I319	I73-I119 HydrophobicContact CG2-CD1 4.12Å; I73-I119 HydrophobicContact CG2-CG1 4.33Å; A78-I119 HydrophobicContact CB-CG1 4.21Å; A78-I119 HydrophobicContact CB-CG2 3.76Å; I93-I119 HydrophobicContact CD1-CG2 4.18Å; I93-I119 HydrophobicContact CG2-CD1 4.26Å; T106-I119 HydrophobicContact CG2-CD1 3.92Å; T106-I119 WeakPolarHBondContact O-CG1 3.48Å; T106-I119 PolarHBondContact O-N 2.97Å; I107-I119 PolarHBondContact O-N 3.14Å; I119-T123 VanDerWaalsContact O-CB 3.26Å; I119-T123 WeakPolarHBondContact O-CB 3.47Å; I119-T123 PolarHBondContact O-N 3.09Å; I119-T123 PolarHBondContact O-OG1 3.06Å; I119-L248 HydrophobicContact CG2-CD1 4.39Å; I119-L248 HydrophobicContact CG2-CD2 3.99Å; I119-I319 HydrophobicContact CD1-CD1 3.42Å; I119-I319 VanDerWaalsContact CD1-CD1 3.42Å
120	I	96.9	Very high	87.4	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-60.5	-176.5	-58	167.2	0	0	0	111.9	I107 R122 T123 L124 L202 F227 L248	I107-I120 HydrophobicContact CG2-CD1 3.51Å; I107-I120 HydrophobicContact CG2-CG1 3.84Å; I107-I120 WeakPolarHBondContact O-CG1 3.39Å; I107-I120 PolarHBondContact O-N 3.38Å; I120-R122 VanDerWaalsContact C-N 3.31Å; I120-R122 PolarHBondContact O-N 3.09Å; I120-T123 WeakPolarHBondContact O-CB 3.42Å; I120-T123 PolarHBondContact O-N 3.34Å; I120-T123 VanDerWaalsContact O-N 3.12Å; I120-L124 HydrophobicContact CG2-CD1 4.12Å; I120-L124 HydrophobicContact CG2-CG 4.42Å; I120-L124 WeakPolarHBondContact O-CG 3.46Å; I120-L124 PolarHBondContact O-N 2.75Å; I120-L202 HydrophobicContact CB-CD2 4.31Å; I120-L202 HydrophobicContact CD1-CD1 4.21Å; I120-L202 HydrophobicContact CG2-CD1 4.07Å; I120-L202 HydrophobicContact CG2-CD2 3.93Å; I120-F227 HydrophobicContact CD1-CB 3.76Å; I120-F227 HydrophobicContact CD1-CD1 4.43Å; I120-F227 HydrophobicContact CD1-CD2 4.4Å; I120-F227 HydrophobicContact CD1-CG 3.97Å; I120-F227 HydrophobicContact CG1-CB 4.46Å; I120-F227 HydrophobicContact CG1-CD1 4.43Å; I120-F227 HydrophobicContact CG1-CG 4.46Å; I120-F227 HydrophobicContact CG2-CD1 3.6Å; I120-F227 HydrophobicContact CG2-CD2 4.26Å; I120-F227 HydrophobicContact CG2-CE1 3.48Å; I120-F227 VanDerWaalsContact CG2-CE1 3.48Å; I120-F227 HydrophobicContact CG2-CE2 4.17Å; I120-F227 HydrophobicContact CG2-CG 4Å; I120-F227 HydrophobicContact CG2-CZ 3.78Å; I120-L248 HydrophobicContact CB-CD1 4.16Å; I120-L248 HydrophobicContact CD1-CB 4.4Å; I120-L248 HydrophobicContact CG1-CB 3.79Å; I120-L248 HydrophobicContact CG1-CD1 3.74Å; I120-L248 HydrophobicContact CG1-CG 4.42Å; I120-L248 HydrophobicContact CG2-CD1 4.28Å
121	P	95.1	Very high	88.2	Confident	5 Å²	5	41 Å²	41	3%	0.032	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-39.8	-176.8	23	-34.4	0	0	0	112.3	T108 R117 G118 T123 L124 S125 L199 L202	T108-P121 WeakPolarHBondContact O-CD 3.23Å; T108-P121 WeakPolarHBondContact O-CG 3.37Å; R117-P121 HydrophobicContact CB-CB 4.4Å; R117-P121 HydrophobicContact CB-CG 3.78Å; R117-P121 HydrophobicContact CG-CB 4.45Å; R117-P121 HydrophobicContact CG-CG 4.16Å; G118-P121 WeakPolarHBondContact O-CD 3.43Å; G118-P121 WeakPolarHBondContact O-CG 3.38Å; P121-T123 VanDerWaalsContact C-N 3.34Å; P121-T123 PolarHBondContact O-N 3.2Å; P121-L124 PolarHBondContact O-N 3.14Å; P121-S125 PolarHBondContact O-N 2.99Å; P121-S125 PolarHBondContact O-OG 2.87Å; P121-S125 VanDerWaalsContact O-OG 3.13Å; P121-L199 HydrophobicContact CB-CD2 3.72Å; P121-L202 HydrophobicContact CB-CD2 4.2Å; P121-L202 HydrophobicContact CG-CD2 4.43Å
122	R	95.9	Very high	89.5	Confident	52 Å²	52	44 Å²	44	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-37.7	176.6	-67.9	174.7	177.6	-90.8	3	112.5	F74 V115 R117 G118 I120 Y126	F74-R122 HydrophobicContact CB-CB 4.33Å; F74-R122 HydrophobicContact CD1-CB 4.45Å; F74-R122 HydrophobicContact CD2-CB 3.47Å; F74-R122 VanDerWaalsContact CD2-CB 3.47Å; F74-R122 HydrophobicContact CE2-CB 3.92Å; F74-R122 HydrophobicContact CG-CB 3.8Å; V115-R122 PolarHBondContact O-NH2 2.69Å; R117-R122 PolarHBondContact O-NE 2.99Å; G118-R122 WeakPolarHBondContact O-CB 3.48Å; G118-R122 WeakPolarHBondContact O-CD 3.43Å; G118-R122 VanDerWaalsContact O-CG 3.29Å; G118-R122 WeakPolarHBondContact O-CG 3.27Å; G118-R122 PolarHBondContact O-N 3.03Å; I120-R122 VanDerWaalsContact C-N 3.31Å; I120-R122 PolarHBondContact O-N 3.09Å; R122-Y126 VanDerWaalsContact O-CB 3.24Å; R122-Y126 WeakPolarHBondContact O-CB 3.43Å; R122-Y126 PolarHBondContact O-N 3.08Å
123	T	97.8	Very high	91	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-38.3	174.8	-55.7	0	0	0	0	111.5	A82 I119 I120 P121 L127 I229 L246 L248	A82-T123 HydrophobicContact CB-CG2 4.41Å; I119-T123 VanDerWaalsContact O-CB 3.26Å; I119-T123 WeakPolarHBondContact O-CB 3.47Å; I119-T123 PolarHBondContact O-N 3.09Å; I119-T123 PolarHBondContact O-OG1 3.06Å; I120-T123 WeakPolarHBondContact O-CB 3.42Å; I120-T123 PolarHBondContact O-N 3.34Å; I120-T123 VanDerWaalsContact O-N 3.12Å; P121-T123 VanDerWaalsContact C-N 3.34Å; P121-T123 PolarHBondContact O-N 3.2Å; T123-L127 HydrophobicContact CG2-CD1 3.97Å; T123-L127 HydrophobicContact CG2-CG 4.37Å; T123-L127 WeakPolarHBondContact O-CB 3.47Å; T123-L127 VanDerWaalsContact O-CG 3.24Å; T123-L127 WeakPolarHBondContact O-CG 3.4Å; T123-L127 PolarHBondContact O-N 2.84Å; T123-I229 HydrophobicContact CG2-CD1 4.18Å; T123-L246 HydrophobicContact CG2-CD2 3.81Å; T123-L248 HydrophobicContact CG2-CD1 4.37Å
124	L	96.2	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-52.1	176	-66	174.5	0	0	0	111.2	I120 P121 Y126 L127 Y128 M141 I143 A198 L199 F227 I229	I120-L124 HydrophobicContact CG2-CD1 4.12Å; I120-L124 HydrophobicContact CG2-CG 4.42Å; I120-L124 WeakPolarHBondContact O-CG 3.46Å; I120-L124 PolarHBondContact O-N 2.75Å; P121-L124 PolarHBondContact O-N 3.14Å; L124-Y126 VanDerWaalsContact C-N 3.31Å; L124-Y126 PolarHBondContact O-N 3.14Å; L124-L127 PolarHBondContact O-N 3.45Å; L124-Y128 WeakPolarHBondContact O-CD2 3.44Å; L124-Y128 PolarHBondContact O-N 3.39Å; L124-Y128 VanDerWaalsContact O-N 3.16Å; L124-M141 HydrophobicContact CD2-CE 4.36Å; L124-M141 HydrophobicContact CD2-SD 3.9Å; L124-I143 HydrophobicContact CD2-CD1 3.99Å; L124-A198 HydrophobicContact CD1-CB 4.14Å; L124-A198 HydrophobicContact CD2-CB 4.11Å; L124-A198 HydrophobicContact CG-CB 4.48Å; L124-L199 HydrophobicContact CD1-CD2 4.19Å; L124-F227 HydrophobicContact CD1-CE1 4.39Å; L124-F227 HydrophobicContact CD1-CZ 4.05Å; L124-F227 HydrophobicContact CD2-CE1 4.3Å; L124-I229 HydrophobicContact CD2-CD1 3.66Å; L124-I229 HydrophobicContact CD2-CG1 4.1Å
125	S	94.4	Very high	91.7	Very high	24 Å²	24	39.2 Å²	39.2	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-52.3	-49.7	175.6	-51.9	0	0	0	0	111.6	P121 L127 Y128 E129 E195	P121-S125 PolarHBondContact O-N 2.99Å; P121-S125 PolarHBondContact O-OG 2.87Å; P121-S125 VanDerWaalsContact O-OG 3.13Å; S125-L127 PolarHBondContact O-N 2.91Å; S125-Y128 PolarHBondContact O-N 3.48Å; S125-E129 WeakPolarHBondContact O-CB 3.25Å; S125-E129 PolarHBondContact O-N 2.99Å; S125-E195 VanDerWaalsContact CB-OE1 3.25Å; S125-E195 WeakPolarHBondContact CB-OE1 3.28Å; S125-E195 PolarHBondContact OG-OE1 2.87Å
126	Y	96.4	Very high	91.8	Very high	13 Å²	13	38.9 Å²	38.9	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-39.1	-178.5	-177.9	-102.7	0	0	0	114	F74 K79 A82 E83 L86 R122 L124 E129 R130	F74-Y126 HydrophobicContact CE1-CD2 4.27Å; F74-Y126 HydrophobicContact CE1-CG 4.27Å; F74-Y126 HydrophobicContact CZ-CD1 4.1Å; F74-Y126 HydrophobicContact CZ-CD2 4.15Å; F74-Y126 AromaticContact CZ-CG 3.7Å; F74-Y126 HydrophobicContact CZ-CG 3.7Å; K79-Y126 HydrophobicContact CD-CE2 4.18Å; K79-Y126 WeakPolarHBondContact CE-OH 3.46Å; K79-Y126 HydrophobicContact CG-CE1 4.1Å; K79-Y126 HydrophobicContact CG-CE2 4.15Å; A82-Y126 HydrophobicContact CB-CD1 3.97Å; A82-Y126 HydrophobicContact CB-CE1 4.02Å; E83-Y126 VanDerWaalsContact CD-OH 3.28Å; E83-Y126 VanDerWaalsContact OE1-CE1 3.23Å; E83-Y126 WeakPolarHBondContact OE1-CE1 3.17Å; E83-Y126 VanDerWaalsContact OE1-CZ 3.3Å; E83-Y126 PolarHBondContact OE1-OH 2.86Å; L86-Y126 HydrophobicContact CD1-CE1 4.43Å; R122-Y126 VanDerWaalsContact O-CB 3.24Å; R122-Y126 WeakPolarHBondContact O-CB 3.43Å; R122-Y126 PolarHBondContact O-N 3.08Å; L124-Y126 VanDerWaalsContact C-N 3.31Å; L124-Y126 PolarHBondContact O-N 3.14Å; Y126-E129 WeakPolarHBondContact O-CB 3.45Å; Y126-E129 PolarHBondContact O-N 3.38Å; Y126-R130 HydrophobicContact CE1-CG 4.2Å; Y126-R130 WeakPolarHBondContact O-CG 3.36Å; Y126-R130 PolarHBondContact O-N 3.14Å; Y126-R130 VanDerWaalsContact OH-CZ 3.3Å; Y126-R130 PolarHBondContact OH-NH2 3.11Å
127	L	96.4	Very high	91.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-43.1	176.6	-73.4	171.1	0	0	0	111.2	A82 L86 T123 L124 S125 R130 F131 M141 I229	A82-L127 HydrophobicContact CB-CD2 4.46Å; L86-L127 HydrophobicContact CD1-CD2 4.01Å; L86-L127 HydrophobicContact CD2-CD2 3.78Å; L86-L127 HydrophobicContact CG-CD2 3.68Å; T123-L127 HydrophobicContact CG2-CD1 3.97Å; T123-L127 HydrophobicContact CG2-CG 4.37Å; T123-L127 WeakPolarHBondContact O-CB 3.47Å; T123-L127 VanDerWaalsContact O-CG 3.24Å; T123-L127 WeakPolarHBondContact O-CG 3.4Å; T123-L127 PolarHBondContact O-N 2.84Å; L124-L127 PolarHBondContact O-N 3.45Å; S125-L127 PolarHBondContact O-N 2.91Å; L127-R130 PolarHBondContact O-N 3.17Å; L127-F131 HydrophobicContact CB-CE1 4.32Å; L127-F131 HydrophobicContact CB-CZ 4.03Å; L127-F131 WeakPolarHBondContact O-CD1 3.46Å; L127-F131 WeakPolarHBondContact O-CE1 3.23Å; L127-F131 WeakPolarHBondContact O-CG 3.34Å; L127-F131 PolarHBondContact O-N 2.79Å; L127-M141 HydrophobicContact CB-CE 3.69Å; L127-M141 HydrophobicContact CD1-CE 3.76Å; L127-M141 HydrophobicContact CG-CE 4.38Å; L127-I229 HydrophobicContact CD1-CD1 4.03Å; L127-I229 HydrophobicContact CD1-CG2 4.24Å
128	Y	94.6	Very high	91.8	Very high	16 Å²	16	42.6 Å²	42.6	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-34.5	175.2	-78.9	-77.5	0	0	0	113	L124 S125 R130 F131 N132 M141 S192 N194 E195 A198	L124-Y128 WeakPolarHBondContact O-CD2 3.44Å; L124-Y128 PolarHBondContact O-N 3.39Å; L124-Y128 VanDerWaalsContact O-N 3.16Å; S125-Y128 PolarHBondContact O-N 3.48Å; Y128-R130 VanDerWaalsContact C-N 3.32Å; Y128-R130 PolarHBondContact O-N 3.28Å; Y128-F131 AromaticContact CD1-CD2 3.62Å; Y128-F131 HydrophobicContact CD1-CD2 3.62Å; Y128-F131 AromaticContact CD1-CE2 3.99Å; Y128-F131 HydrophobicContact CD1-CE2 3.99Å; Y128-F131 AromaticContact CE1-CD2 3.85Å; Y128-F131 HydrophobicContact CE1-CD2 3.85Å; Y128-F131 AromaticContact CE1-CE2 3.9Å; Y128-F131 HydrophobicContact CE1-CE2 3.9Å; Y128-F131 HydrophobicContact CG-CD2 4.17Å; Y128-F131 HydrophobicContact CG-CE2 4.36Å; Y128-F131 PolarHBondContact O-N 2.91Å; Y128-N132 VanDerWaalsContact O-CG 3.3Å; Y128-N132 PolarHBondContact O-N 3.32Å; Y128-N132 VanDerWaalsContact O-N 3.07Å; Y128-N132 PolarHBondContact O-ND2 3.02Å; Y128-N132 VanDerWaalsContact O-ND2 3.16Å; Y128-M141 HydrophobicContact CD2-CE 4.1Å; Y128-M141 HydrophobicContact CE2-CE 3.56Å; Y128-M141 HydrophobicContact CE2-SD 3.78Å; Y128-S192 VanDerWaalsContact OH-C 3.29Å; Y128-S192 VanDerWaalsContact OH-CB 3.32Å; Y128-S192 WeakPolarHBondContact OH-CB 3.37Å; Y128-S192 PolarHBondContact OH-O 3.2Å; Y128-S192 PolarHBondContact OH-OG 3.16Å; Y128-S192 VanDerWaalsContact OH-OG 3.08Å; Y128-N194 VanDerWaalsContact CE1-CA 3.44Å; Y128-E195 HydrophobicContact CD2-CB 4.05Å; Y128-E195 HydrophobicContact CG-CB 4.16Å; Y128-A198 HydrophobicContact CE2-CB 3.69Å
129	E	93.9	Very high	91.7	Very high	97 Å²	97	44 Å²	44	45%	0.453	24%	0.236	S	C	.	.	H	α-helix	trans	-55.8	-48.1	169.7	-164.8	-159.7	148.7	0	0	110.7	S125 Y126 N132 Q133	S125-E129 WeakPolarHBondContact O-CB 3.25Å; S125-E129 PolarHBondContact O-N 2.99Å; Y126-E129 WeakPolarHBondContact O-CB 3.45Å; Y126-E129 PolarHBondContact O-N 3.38Å; E129-N132 PolarHBondContact O-N 3.13Å; E129-Q133 WeakPolarHBondContact O-CG 3.29Å; E129-Q133 PolarHBondContact O-N 3.32Å; E129-Q133 PolarHBondContact OE1-NE2 3.27Å
130	R	94	Very high	91.6	Very high	50 Å²	50	46.4 Å²	46.4	19%	0.189	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-36	177.5	-71.5	-55.5	-161.2	82	3.5	113.9	E83 L86 Y126 L127 Y128 N132 Q133 E134	E83-R130 IonicContact OE1-CZ 3.91Å; E83-R130 VanDerWaalsContact OE1-CZ 3.26Å; E83-R130 IonicContact OE1-NH1 3.22Å; E83-R130 PolarHBondContact OE1-NH1 3.39Å; E83-R130 IonicContact OE1-NH2 2.69Å; E83-R130 PolarHBondContact OE1-NH2 2.85Å; E83-R130 VanDerWaalsContact OE1-NH2 3.11Å; E83-R130 IonicContact OE2-CZ 3.06Å; E83-R130 IonicContact OE2-NH1 3.14Å; E83-R130 PolarHBondContact OE2-NH1 2.94Å; E83-R130 IonicContact OE2-NH2 3.19Å; E83-R130 PolarHBondContact OE2-NH2 2.97Å; L86-R130 HydrophobicContact CD1-CB 3.88Å; L86-R130 HydrophobicContact CD1-CG 3.78Å; L86-R130 HydrophobicContact CD2-CB 4.3Å; Y126-R130 HydrophobicContact CE1-CG 4.2Å; Y126-R130 WeakPolarHBondContact O-CG 3.36Å; Y126-R130 PolarHBondContact O-N 3.14Å; Y126-R130 VanDerWaalsContact OH-CZ 3.3Å; Y126-R130 PolarHBondContact OH-NH2 3.11Å; L127-R130 PolarHBondContact O-N 3.17Å; Y128-R130 VanDerWaalsContact C-N 3.32Å; Y128-R130 PolarHBondContact O-N 3.28Å; R130-N132 VanDerWaalsContact C-N 3.28Å; R130-N132 PolarHBondContact O-N 3.43Å; R130-Q133 VanDerWaalsContact CD-OE1 3.29Å; R130-Q133 PolarHBondContact O-N 2.95Å; R130-E134 PolarHBondContact O-N 2.87Å
131	F	93.3	Very high	91.6	Very high	23 Å²	23	46.5 Å²	46.5	10%	0.101	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-37.2	173.8	-56.7	-16	0	0	0	111.9	L86 L127 Y128 Y139 M141 L231	L86-F131 HydrophobicContact CD2-CD1 4.27Å; L86-F131 HydrophobicContact CD2-CE1 3.86Å; L127-F131 HydrophobicContact CB-CE1 4.32Å; L127-F131 HydrophobicContact CB-CZ 4.03Å; L127-F131 WeakPolarHBondContact O-CD1 3.46Å; L127-F131 WeakPolarHBondContact O-CE1 3.23Å; L127-F131 WeakPolarHBondContact O-CG 3.34Å; L127-F131 PolarHBondContact O-N 2.79Å; Y128-F131 AromaticContact CD1-CD2 3.62Å; Y128-F131 HydrophobicContact CD1-CD2 3.62Å; Y128-F131 AromaticContact CD1-CE2 3.99Å; Y128-F131 HydrophobicContact CD1-CE2 3.99Å; Y128-F131 AromaticContact CE1-CD2 3.85Å; Y128-F131 HydrophobicContact CE1-CD2 3.85Å; Y128-F131 AromaticContact CE1-CE2 3.9Å; Y128-F131 HydrophobicContact CE1-CE2 3.9Å; Y128-F131 HydrophobicContact CG-CD2 4.17Å; Y128-F131 HydrophobicContact CG-CE2 4.36Å; Y128-F131 PolarHBondContact O-N 2.91Å; F131-Y139 HydrophobicContact CB-CD2 3.95Å; F131-Y139 HydrophobicContact CB-CG 4.4Å; F131-Y139 AromaticContact CD1-CD1 3.66Å; F131-Y139 HydrophobicContact CD1-CD1 3.66Å; F131-Y139 AromaticContact CD1-CD2 3.47Å; F131-Y139 HydrophobicContact CD1-CD2 3.47Å; F131-Y139 VanDerWaalsContact CD1-CD2 3.47Å; F131-Y139 HydrophobicContact CD1-CE1 4.06Å; F131-Y139 AromaticContact CD1-CE2 3.9Å; F131-Y139 HydrophobicContact CD1-CE2 3.9Å; F131-Y139 AromaticContact CD1-CG 3.32Å; F131-Y139 HydrophobicContact CD1-CG 3.32Å; F131-Y139 AromaticContact CE1-CD1 3.61Å; F131-Y139 HydrophobicContact CE1-CD1 3.61Å; F131-Y139 HydrophobicContact CE1-CD2 4.28Å; F131-Y139 HydrophobicContact CE1-CE1 4.09Å; F131-Y139 AromaticContact CE1-CG 3.69Å; F131-Y139 HydrophobicContact CE1-CG 3.69Å; F131-Y139 AromaticContact CG-CD2 3.88Å; F131-Y139 HydrophobicContact CG-CD2 3.88Å; F131-Y139 AromaticContact CG-CG 3.86Å; F131-Y139 HydrophobicContact CG-CG 3.86Å; F131-Y139 HydrophobicContact CZ-CD1 4.48Å; F131-Y139 HydrophobicContact CZ-CG 4.48Å; F131-M141 HydrophobicContact CE2-CB 4.25Å; F131-M141 HydrophobicContact CE2-CE 3.77Å; F131-M141 HydrophobicContact CZ-CE 3.74Å; F131-L231 HydrophobicContact CE1-CD1 3.77Å; F131-L231 HydrophobicContact CE1-CD2 4.28Å; F131-L231 HydrophobicContact CZ-CD1 3.5Å; F131-L231 VanDerWaalsContact CZ-CD1 3.5Å
132	N	89.4	Confident	91.7	Very high	133 Å²	133	48.9 Å²	48.9	71%	0.711	26%	0.261	S	S	*	.	H	α-helix	trans	-74.2	-31.8	177.8	-68	-30.8	0	0	0	112.6	Y128 E129 R130	Y128-N132 VanDerWaalsContact O-CG 3.3Å; Y128-N132 PolarHBondContact O-N 3.32Å; Y128-N132 VanDerWaalsContact O-N 3.07Å; Y128-N132 PolarHBondContact O-ND2 3.02Å; Y128-N132 VanDerWaalsContact O-ND2 3.16Å; E129-N132 PolarHBondContact O-N 3.13Å; R130-N132 VanDerWaalsContact C-N 3.28Å; R130-N132 PolarHBondContact O-N 3.43Å
133	Q	89.9	Confident	91.7	Very high	115 Å²	115	46.4 Å²	46.4	54%	0.537	25%	0.252	S	S	.	.	H	α-helix	trans	-74.3	-44.8	175.5	-72	170.4	7.7	0	0	112.2	E129 R130 G135	E129-Q133 WeakPolarHBondContact O-CG 3.29Å; E129-Q133 PolarHBondContact O-N 3.32Å; E129-Q133 PolarHBondContact OE1-NE2 3.27Å; R130-Q133 VanDerWaalsContact CD-OE1 3.29Å; R130-Q133 PolarHBondContact O-N 2.95Å; Q133-G135 PolarHBondContact O-N 3.43Å
134	E	82.8	Confident	91.7	Very high	50 Å²	50	46.5 Å²	46.5	23%	0.234	25%	0.252	C	S	.	.			trans	-84.9	50.6	178	-68.7	-174.6	-141.6	0	0	112.1	R130 S136 M137 Y139 R233	R130-E134 PolarHBondContact O-N 2.87Å; E134-S136 PolarHBondContact O-N 2.97Å; E134-M137 HydrophobicContact CB-CB 4.36Å; E134-M137 HydrophobicContact CB-CG 4.27Å; E134-M137 WeakPolarHBondContact O-CB 3.14Å; E134-M137 PolarHBondContact O-N 2.68Å; E134-Y139 HydrophobicContact CB-CE2 4.06Å; E134-Y139 PolarHBondContact OE2-OH 2.87Å; E134-R233 IonicContact OE1-NH1 3.22Å; E134-R233 IonicContact OE2-CZ 2.86Å; E134-R233 IonicContact OE2-NH1 3.81Å; E134-R233 PolarHBondContact OE2-NH1 3.5Å; E134-R233 IonicContact OE2-NH2 3.7Å; E134-R233 PolarHBondContact OE2-NH2 2.93Å
135	G	73.1	Confident	91.7	Very high	68 Å²	68	46.6 Å²	46.6	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-2.6	-174	0	0	0	0	0	116.8	Q133	Q133-G135 PolarHBondContact O-N 3.43Å
136	S	81.1	Confident	91.7	Very high	82 Å²	82	45.5 Å²	45.5	57%	0.573	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.4	167.9	61.2	0	0	0	0	113.8	E134 P236	E134-S136 PolarHBondContact O-N 2.97Å; S136-P236 WeakPolarHBondContact O-CD 3.32Å; S136-P236 WeakPolarHBondContact O-CG 3.47Å
137	M	86.8	Confident	91.5	Very high	38 Å²	38	44.9 Å²	44.9	19%	0.187	24%	0.243	C	C	.	.	S	Bend	trans	-114.7	134.6	-171.6	-65.1	-75.7	160.7	0	0	111.3	E134 Y139 R233 E235	E134-M137 HydrophobicContact CB-CB 4.36Å; E134-M137 HydrophobicContact CB-CG 4.27Å; E134-M137 WeakPolarHBondContact O-CB 3.14Å; E134-M137 PolarHBondContact O-N 2.68Å; M137-Y139 HydrophobicContact CB-CD2 4.09Å; M137-Y139 HydrophobicContact CB-CE2 3.52Å; M137-Y139 PolarHBondContact O-N 2.83Å; M137-R233 PolarHBondContact SD-NH2 3.32Å; M137-E235 HydrophobicContact CE-CB 4.46Å; M137-E235 HydrophobicContact CE-CG 4.08Å; M137-E235 HydrophobicContact SD-CB 4.21Å; M137-E235 HydrophobicContact SD-CG 3.78Å
138	M	89.1	Confident	91.2	Very high	124 Å²	124	45 Å²	45	61%	0.611	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	112.1	177.1	-68.3	-70.6	164.7	0	0	109.7	R234	M138-R234 HydrophobicContact CB-CB 4.32Å; M138-R234 PolarHBondContact N-O 3.04Å; M138-R234 PolarHBondContact O-N 3.3Å
139	Y	92.8	Very high	90.8	Very high	33 Å²	33	45.7 Å²	45.7	13%	0.129	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.6	177.5	-71.1	-75	0	0	0	111.7	L86 F131 E134 M137 L231 C232 R233	L86-Y139 HydrophobicContact CD2-CE1 4.04Å; F131-Y139 HydrophobicContact CB-CD2 3.95Å; F131-Y139 HydrophobicContact CB-CG 4.4Å; F131-Y139 AromaticContact CD1-CD1 3.66Å; F131-Y139 HydrophobicContact CD1-CD1 3.66Å; F131-Y139 AromaticContact CD1-CD2 3.47Å; F131-Y139 HydrophobicContact CD1-CD2 3.47Å; F131-Y139 VanDerWaalsContact CD1-CD2 3.47Å; F131-Y139 HydrophobicContact CD1-CE1 4.06Å; F131-Y139 AromaticContact CD1-CE2 3.9Å; F131-Y139 HydrophobicContact CD1-CE2 3.9Å; F131-Y139 AromaticContact CD1-CG 3.32Å; F131-Y139 HydrophobicContact CD1-CG 3.32Å; F131-Y139 AromaticContact CE1-CD1 3.61Å; F131-Y139 HydrophobicContact CE1-CD1 3.61Å; F131-Y139 HydrophobicContact CE1-CD2 4.28Å; F131-Y139 HydrophobicContact CE1-CE1 4.09Å; F131-Y139 AromaticContact CE1-CG 3.69Å; F131-Y139 HydrophobicContact CE1-CG 3.69Å; F131-Y139 AromaticContact CG-CD2 3.88Å; F131-Y139 HydrophobicContact CG-CD2 3.88Å; F131-Y139 AromaticContact CG-CG 3.86Å; F131-Y139 HydrophobicContact CG-CG 3.86Å; F131-Y139 HydrophobicContact CZ-CD1 4.48Å; F131-Y139 HydrophobicContact CZ-CG 4.48Å; E134-Y139 HydrophobicContact CB-CE2 4.06Å; E134-Y139 PolarHBondContact OE2-OH 2.87Å; M137-Y139 HydrophobicContact CB-CD2 4.09Å; M137-Y139 HydrophobicContact CB-CE2 3.52Å; M137-Y139 PolarHBondContact O-N 2.83Å; Y139-L231 HydrophobicContact CD1-CD1 3.98Å; Y139-L231 HydrophobicContact CD1-CD2 4.45Å; Y139-L231 HydrophobicContact CD1-CG 4.48Å; Y139-C232 WeakPolarHBondContact CA-O 3.47Å; Y139-R233 HydrophobicContact CD1-CB 4.04Å; Y139-R233 HydrophobicContact CD1-CG 4.21Å; Y139-R233 HydrophobicContact CE1-CB 3.81Å; Y139-R233 HydrophobicContact CE1-CG 3.65Å; Y139-R233 PolarHBondContact OH-NH1 3.26Å
140	T	93.6	Very high	90.2	Very high	51 Å²	51	44.3 Å²	44.3	31%	0.313	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	113	168.7	-49.1	0	0	0	0	109.8	Q191 C232	T140-Q191 HydrophobicContact CG2-CG 4.24Å; T140-C232 PolarHBondContact N-O 3.24Å; T140-C232 PolarHBondContact O-N 3.16Å
141	M	96.5	Very high	89.8	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.4	174.6	-168.5	-173.9	-67.1	0	0	110.6	L124 L127 Y128 F131 I143 S192 I229	L124-M141 HydrophobicContact CD2-CE 4.36Å; L124-M141 HydrophobicContact CD2-SD 3.9Å; L127-M141 HydrophobicContact CB-CE 3.69Å; L127-M141 HydrophobicContact CD1-CE 3.76Å; L127-M141 HydrophobicContact CG-CE 4.38Å; Y128-M141 HydrophobicContact CD2-CE 4.1Å; Y128-M141 HydrophobicContact CE2-CE 3.56Å; Y128-M141 HydrophobicContact CE2-SD 3.78Å; F131-M141 HydrophobicContact CE2-CB 4.25Å; F131-M141 HydrophobicContact CE2-CE 3.77Å; F131-M141 HydrophobicContact CZ-CE 3.74Å; M141-I143 HydrophobicContact CG-CG1 4.37Å; M141-I143 HydrophobicContact SD-CD1 4Å; M141-I143 HydrophobicContact SD-CG1 4.09Å; M141-S192 PolarHBondContact O-N 2.84Å; M141-S192 VanDerWaalsContact O-N 3.12Å; M141-I229 HydrophobicContact CE-CG2 4.1Å; M141-I229 HydrophobicContact CG-CG2 3.64Å; M141-I229 HydrophobicContact SD-CG2 3.76Å
142	H	97.2	Very high	89.5	Confident	56 Å²	56	45.3 Å²	45.3	26%	0.259	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.9	161.3	-55.8	73	0	0	0	110.3	V189 R190 H230	H142-V189 HydrophobicContact CB-CG1 3.52Å; H142-R190 CarbonylContact C-O 3.59Å; H142-R190 WeakPolarHBondContact CA-O 3.5Å; H142-H230 HydrophobicContact CB-CB 4.38Å; H142-H230 PolarHBondContact N-O 2.98Å; H142-H230 PolarHBondContact O-N 3.36Å
143	I	97.4	Very high	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.4	-178.2	-64	170	0	0	0	109	L124 M141 L157 R190 A198 L201 F227 T228	L124-I143 HydrophobicContact CD2-CD1 3.99Å; M141-I143 HydrophobicContact CG-CG1 4.37Å; M141-I143 HydrophobicContact SD-CD1 4Å; M141-I143 HydrophobicContact SD-CG1 4.09Å; I143-L157 HydrophobicContact CG2-CD1 4.04Å; I143-R190 PolarHBondContact N-O 3.11Å; I143-R190 PolarHBondContact O-N 2.74Å; I143-A198 HydrophobicContact CD1-CB 3.65Å; I143-L201 HydrophobicContact CB-CD1 4.21Å; I143-L201 HydrophobicContact CD1-CD1 4.25Å; I143-F227 HydrophobicContact CD1-CZ 4.16Å; I143-F227 HydrophobicContact CG1-CZ 4.43Å; I143-F227 HydrophobicContact CG2-CD2 4.48Å; I143-F227 HydrophobicContact CG2-CE1 3.97Å; I143-F227 HydrophobicContact CG2-CE2 3.69Å; I143-F227 HydrophobicContact CG2-CZ 3.4Å; I143-T228 WeakPolarHBondContact CA-O 3.37Å
144	S	96.9	Very high	89.6	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.7	169.5	61.1	0	0	0	0	109.7	S188 T228 H230	S144-S188 WeakPolarHBondContact CA-O 3.3Å; S144-S188 WeakPolarHBondContact CB-O 3.49Å; S144-T228 PolarHBondContact N-O 2.89Å; S144-T228 PolarHBondContact O-N 3.19Å; S144-H230 WeakPolarHBondContact CB-NE2 3.36Å; S144-H230 PolarHBondContact OG-NE2 2.97Å
145	Y	95.8	Very high	90.1	Very high	2 Å²	2	32 Å²	32	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.5	-175.5	-162.5	-175.9	0	0	0	109.7	L156 L157 L202 D206 C225 F227	Y145-L156 HydrophobicContact CD1-CB 4.33Å; Y145-L156 HydrophobicContact CD1-CD1 3.89Å; Y145-L156 HydrophobicContact CD2-CD1 3.88Å; Y145-L156 HydrophobicContact CE1-CD1 4.01Å; Y145-L156 HydrophobicContact CE2-CD1 4.03Å; Y145-L156 HydrophobicContact CG-CB 4.28Å; Y145-L156 HydrophobicContact CG-CD1 3.81Å; Y145-L156 WeakPolarHBondContact O-CB 3.23Å; Y145-L156 PolarHBondContact O-N 3.35Å; Y145-L157 HydrophobicContact CD1-CD2 4.4Å; Y145-L202 HydrophobicContact CE1-CD1 4.07Å; Y145-D206 PolarHBondContact OH-OD1 3.44Å; Y145-C225 HydrophobicContact CE2-CB 3.97Å; Y145-F227 AromaticContact CD1-CD2 3.71Å; Y145-F227 HydrophobicContact CD1-CD2 3.71Å; Y145-F227 HydrophobicContact CD1-CE2 4.19Å; Y145-F227 HydrophobicContact CD2-CB 3.85Å; Y145-F227 AromaticContact CD2-CD2 3.83Å; Y145-F227 HydrophobicContact CD2-CD2 3.83Å; Y145-F227 HydrophobicContact CD2-CG 4.32Å; Y145-F227 HydrophobicContact CE1-CD2 4Å; Y145-F227 HydrophobicContact CE2-CB 3.88Å; Y145-F227 HydrophobicContact CE2-CD2 4.08Å; Y145-F227 AromaticContact CG-CD2 3.65Å; Y145-F227 HydrophobicContact CG-CD2 3.65Å; Y145-F227 HydrophobicContact CG-CE2 4.4Å
146	L	94.6	Very high	90.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.9	-173.8	172.5	73.4	0	0	0	110	I148 V172 L184 L187 C225 V226 M301 V305	L146-I148 HydrophobicContact CD2-CD1 4Å; L146-I148 HydrophobicContact CD2-CG1 3.87Å; L146-I148 HydrophobicContact CG-CG1 3.99Å; L146-V172 HydrophobicContact CD1-CB 3.94Å; L146-V172 HydrophobicContact CD1-CG1 4.12Å; L146-V172 HydrophobicContact CD1-CG2 3.79Å; L146-L184 HydrophobicContact CD2-CD1 4.31Å; L146-L187 HydrophobicContact CB-CD1 4.15Å; L146-L187 HydrophobicContact CB-CD2 4.45Å; L146-L187 HydrophobicContact CD1-CD1 4.45Å; L146-C225 WeakPolarHBondContact O-CA 3.42Å; L146-V226 HydrophobicContact CB-CB 4.36Å; L146-V226 PolarHBondContact N-O 3.41Å; L146-V226 PolarHBondContact O-N 2.9Å; L146-M301 HydrophobicContact CD1-CE 4.25Å; L146-M301 HydrophobicContact CD2-CE 4.36Å; L146-V305 HydrophobicContact CD2-CG2 4.01Å
147	E	92.3	Very high	91.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.5	164.6	-174.5	165.3	-155.4	0	0	109.8	G153 Y154 L156 S223 H224	E147-G153 CarbonylContact O-C 3.51Å; E147-G153 WeakPolarHBondContact O-CA 3.34Å; E147-Y154 PolarHBondContact N-O 2.99Å; E147-Y154 PolarHBondContact O-N 3.16Å; E147-L156 HydrophobicContact CB-CD1 4.09Å; E147-L156 HydrophobicContact CB-CD2 4.1Å; E147-L156 HydrophobicContact CB-CG 4.08Å; E147-S223 WeakPolarHBondContact OE1-CB 3.3Å; E147-S223 PolarHBondContact OE1-OG 3.43Å; E147-H224 CarbonylContact C-O 3.55Å; E147-H224 WeakPolarHBondContact CA-O 3.31Å
148	I	91.1	Very high	91.1	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.6	174.5	-53.8	173.2	0	0	0	107.7	L146 V152 S223 H224 V226 M301 L302 V305	L146-I148 HydrophobicContact CD2-CD1 4Å; L146-I148 HydrophobicContact CD2-CG1 3.87Å; L146-I148 HydrophobicContact CG-CG1 3.99Å; I148-V152 WeakPolarHBondContact CA-O 3.44Å; I148-S223 CarbonylContact O-C 3.55Å; I148-S223 VanDerWaalsContact O-CA 3.28Å; I148-S223 WeakPolarHBondContact O-CA 3.47Å; I148-S223 WeakPolarHBondContact O-CB 3.37Å; I148-H224 HydrophobicContact CB-CB 4.36Å; I148-H224 PolarHBondContact N-O 3.29Å; I148-H224 PolarHBondContact O-N 3.41Å; I148-V226 HydrophobicContact CD1-CG2 4.45Å; I148-M301 HydrophobicContact CD1-CG 4.06Å; I148-M301 HydrophobicContact CG1-CG 4.31Å; I148-M301 HydrophobicContact CG2-CB 4.13Å; I148-M301 HydrophobicContact CG2-CG 4.32Å; I148-L302 HydrophobicContact CD1-CB 4.3Å; I148-L302 HydrophobicContact CD1-CD1 4.26Å; I148-V305 HydrophobicContact CD1-CG2 4.45Å
149	Y	86	Confident	90.2	Very high	31 Å²	31	20.3 Å²	20.3	12%	0.122	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.8	179.4	175.1	-104.5	0	0	0	109.5	E151 V152 L166 E269	Y149-E151 VanDerWaalsContact C-N 3.29Å; Y149-E151 PolarHBondContact O-N 2.89Å; Y149-V152 PolarHBondContact N-O 3.27Å; Y149-V152 PolarHBondContact O-N 3.29Å; Y149-V152 VanDerWaalsContact O-O 3.06Å; Y149-L166 HydrophobicContact CD1-CD2 3.58Å; Y149-L166 HydrophobicContact CE1-CD2 4.2Å; Y149-L166 HydrophobicContact CG-CD2 3.9Å; Y149-E269 HydrophobicContact CE2-CG 4.27Å; Y149-E269 WeakPolarHBondContact OH-CG 3.17Å; Y149-E269 PolarHBondContact OH-OE1 2.84Å
150	N	80.3	Confident	89	Confident	68 Å²	68	27.3 Å²	27.3	36%	0.364	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	42.1	178.5	-165.6	57.3	0	0	0	113.6	V152 Y272	N150-V152 PolarHBondContact O-N 2.78Å; N150-V152 VanDerWaalsContact O-N 3.16Å; N150-Y272 WeakPolarHBondContact OD1-CB 3.45Å; N150-Y272 WeakPolarHBondContact OD1-CD2 3.47Å
151	E	85.6	Confident	87.5	Confident	47 Å²	47	28.6 Å²	28.6	22%	0.22	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	13.5	-172.6	-66.4	-65.3	165.2	0	0	116.1	Y149 S276 S300 M301	Y149-E151 VanDerWaalsContact C-N 3.29Å; Y149-E151 PolarHBondContact O-N 2.89Å; E151-S276 WeakPolarHBondContact OE1-CA 3.06Å; E151-S276 WeakPolarHBondContact OE1-CB 3.29Å; E151-S276 PolarHBondContact OE1-N 2.94Å; E151-S300 VanDerWaalsContact CD-CB 3.49Å; E151-S300 WeakPolarHBondContact OE1-CB 3.37Å; E151-S300 VanDerWaalsContact OE2-CA 3.3Å; E151-S300 WeakPolarHBondContact OE2-CA 3.29Å; E151-S300 WeakPolarHBondContact OE2-CB 3.27Å; E151-M301 PolarHBondContact OE2-N 3.37Å
152	V	87.2	Confident	85.8	Confident	46 Å²	46	34.1 Å²	34.1	28%	0.279	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.7	172.5	-178.1	0	0	0	0	109.6	I148 Y149 N150 Y154 K171	I148-V152 WeakPolarHBondContact CA-O 3.44Å; Y149-V152 PolarHBondContact N-O 3.27Å; Y149-V152 PolarHBondContact O-N 3.29Å; Y149-V152 VanDerWaalsContact O-O 3.06Å; N150-V152 PolarHBondContact O-N 2.78Å; N150-V152 VanDerWaalsContact O-N 3.16Å; V152-Y154 HydrophobicContact CB-CD2 4.48Å; V152-Y154 HydrophobicContact CB-CE2 3.66Å; V152-Y154 HydrophobicContact CG1-CD2 4.19Å; V152-Y154 HydrophobicContact CG1-CE1 4.23Å; V152-Y154 HydrophobicContact CG1-CE2 3.56Å; V152-Y154 WeakPolarHBondContact O-CD2 3.28Å; V152-Y154 WeakPolarHBondContact O-CE2 3.27Å; V152-K171 HydrophobicContact CG1-CB 4.47Å; V152-K171 HydrophobicContact CG1-CD 3.96Å; V152-K171 HydrophobicContact CG1-CG 3.96Å
153	G	90.7	Very high	83.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.8	174.3	0	0	0	0	0	112.2	E147 K171 V172 M301	E147-G153 CarbonylContact O-C 3.51Å; E147-G153 WeakPolarHBondContact O-CA 3.34Å; G153-K171 CarbonylContact O-C 3.59Å; G153-K171 WeakPolarHBondContact O-CA 3.3Å; G153-V172 PolarHBondContact O-N 2.93Å; G153-M301 VanDerWaalsContact CA-SD 3.53Å; G153-M301 PolarHBondContact N-SD 2.64Å
154	Y	91.2	Very high	82.3	Confident	18 Å²	18	35.7 Å²	35.7	7%	0.071	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.8	-178.2	-61.9	-93.8	0	0	0	110.2	E147 V152 L166 L169 P170 K171	E147-Y154 PolarHBondContact N-O 2.99Å; E147-Y154 PolarHBondContact O-N 3.16Å; V152-Y154 HydrophobicContact CB-CD2 4.48Å; V152-Y154 HydrophobicContact CB-CE2 3.66Å; V152-Y154 HydrophobicContact CG1-CD2 4.19Å; V152-Y154 HydrophobicContact CG1-CE1 4.23Å; V152-Y154 HydrophobicContact CG1-CE2 3.56Å; V152-Y154 WeakPolarHBondContact O-CD2 3.28Å; V152-Y154 WeakPolarHBondContact O-CE2 3.27Å; Y154-L166 HydrophobicContact CD1-CD1 3.84Å; Y154-L166 HydrophobicContact CD1-CG 4.17Å; Y154-L166 WeakPolarHBondContact CD1-O 3.45Å; Y154-L166 HydrophobicContact CD2-CD1 3.63Å; Y154-L166 HydrophobicContact CD2-CG 4.13Å; Y154-L166 HydrophobicContact CE1-CD1 4.28Å; Y154-L166 HydrophobicContact CE1-CG 4.11Å; Y154-L166 WeakPolarHBondContact CE1-O 3.4Å; Y154-L166 HydrophobicContact CE2-CD1 4.12Å; Y154-L166 HydrophobicContact CE2-CD2 4.38Å; Y154-L166 HydrophobicContact CE2-CG 4.1Å; Y154-L166 HydrophobicContact CG-CD1 3.46Å; Y154-L166 VanDerWaalsContact CG-CD1 3.46Å; Y154-L166 HydrophobicContact CG-CG 4.15Å; Y154-L169 HydrophobicContact CD1-CB 4.12Å; Y154-P170 WeakPolarHBondContact CA-O 3.49Å; Y154-K171 HydrophobicContact CD1-CG 4.24Å; Y154-K171 HydrophobicContact CE1-CG 4Å
155	D	92.9	Very high	80.7	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.5	176.7	-179.5	11.5	0	0	0	111	L157 P170 V172 L187 S188	D155-L157 PolarHBondContact OD1-N 3.05Å; D155-P170 HydrophobicContact CB-CB 4.24Å; D155-P170 HydrophobicContact CB-CG 4.36Å; D155-P170 PolarHBondContact N-O 3.17Å; D155-V172 HydrophobicContact CB-CG2 4.06Å; D155-L187 HydrophobicContact CB-CD1 4.22Å; D155-S188 WeakPolarHBondContact OD2-CA 3.41Å; D155-S188 WeakPolarHBondContact OD2-CB 3.18Å; D155-S188 PolarHBondContact OD2-N 2.67Å; D155-S188 PolarHBondContact OD2-OG 2.71Å
156	L	90.7	Very high	79.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-84.6	-8	179.4	-65.8	177.6	0	0	0	113.6	Y145 E147 L169 N208	Y145-L156 HydrophobicContact CD1-CB 4.33Å; Y145-L156 HydrophobicContact CD1-CD1 3.89Å; Y145-L156 HydrophobicContact CD2-CD1 3.88Å; Y145-L156 HydrophobicContact CE1-CD1 4.01Å; Y145-L156 HydrophobicContact CE2-CD1 4.03Å; Y145-L156 HydrophobicContact CG-CB 4.28Å; Y145-L156 HydrophobicContact CG-CD1 3.81Å; Y145-L156 WeakPolarHBondContact O-CB 3.23Å; Y145-L156 PolarHBondContact O-N 3.35Å; E147-L156 HydrophobicContact CB-CD1 4.09Å; E147-L156 HydrophobicContact CB-CD2 4.1Å; E147-L156 HydrophobicContact CB-CG 4.08Å; L156-L169 HydrophobicContact CD2-CD1 3.98Å; L156-N208 HydrophobicContact CD2-CB 4.18Å; L156-N208 PolarHBondContact O-ND2 3.42Å
157	L	90.6	Very high	78.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.251	C	S	.	.			trans	-116.2	10.4	-171.4	-54.4	-175.2	0	0	0	115.4	I143 Y145 D155 S159 R190 L201	I143-L157 HydrophobicContact CG2-CD1 4.04Å; Y145-L157 HydrophobicContact CD1-CD2 4.4Å; D155-L157 PolarHBondContact OD1-N 3.05Å; L157-S159 PolarHBondContact O-N 2.8Å; L157-S159 VanDerWaalsContact O-N 3.17Å; L157-R190 HydrophobicContact CB-CG 4.1Å; L157-R190 HydrophobicContact CD1-CG 4.25Å; L157-L201 HydrophobicContact CD1-CD2 4.47Å; L157-L201 HydrophobicContact CD2-CB 4.46Å; L157-L201 HydrophobicContact CD2-CD2 4.45Å; L157-L201 WeakPolarHBondContact CD2-O 3.16Å
158	D	80.9	Confident	77.2	Confident	13 Å²	13	56.7 Å²	56.7	7%	0.07	27%	0.274	C	S	.	.			trans	-71.5	110	174.7	-171.9	-15.4	0	0	0	111	R160 Y161 P170	D158-R160 PolarHBondContact O-N 3.16Å; D158-R160 VanDerWaalsContact OD1-CB 3.31Å; D158-R160 WeakPolarHBondContact OD1-CB 3.39Å; D158-R160 VanDerWaalsContact OD1-CG 3.31Å; D158-R160 WeakPolarHBondContact OD1-CG 3.17Å; D158-R160 PolarHBondContact OD1-N 3.07Å; D158-R160 IonicContact OD1-NE 3.75Å; D158-R160 PolarHBondContact OD1-NE 3.17Å; D158-R160 VanDerWaalsContact OD1-NE 3.13Å; D158-R160 IonicContact OD2-CZ 3Å; D158-R160 IonicContact OD2-NE 2.72Å; D158-R160 PolarHBondContact OD2-NE 2.72Å; D158-R160 IonicContact OD2-NH2 2.77Å; D158-R160 PolarHBondContact OD2-NH2 2.87Å; D158-Y161 HydrophobicContact CB-CD2 4.16Å; D158-Y161 PolarHBondContact O-N 3.33Å; D158-P170 HydrophobicContact CB-CG 3.71Å; D158-P170 WeakPolarHBondContact OD2-CG 3.42Å
159	S	69.6	Low	76.6	Confident	54 Å²	54	56.8 Å²	56.8	38%	0.378	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	5.5	178.4	53.2	0	0	0	0	115.2	L157 R190	L157-S159 PolarHBondContact O-N 2.8Å; L157-S159 VanDerWaalsContact O-N 3.17Å; S159-R190 PolarHBondContact OG-NH1 2.58Å
160	R	68.1	Low	76.4	Confident	180 Å²	180	56.2 Å²	56.2	68%	0.679	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.5	165.8	-62.1	177.7	-65.9	167.2	1.3	113	D158	D158-R160 PolarHBondContact O-N 3.16Å; D158-R160 VanDerWaalsContact OD1-CB 3.31Å; D158-R160 WeakPolarHBondContact OD1-CB 3.39Å; D158-R160 VanDerWaalsContact OD1-CG 3.31Å; D158-R160 WeakPolarHBondContact OD1-CG 3.17Å; D158-R160 PolarHBondContact OD1-N 3.07Å; D158-R160 IonicContact OD1-NE 3.75Å; D158-R160 PolarHBondContact OD1-NE 3.17Å; D158-R160 VanDerWaalsContact OD1-NE 3.13Å; D158-R160 IonicContact OD2-CZ 3Å; D158-R160 IonicContact OD2-NE 2.72Å; D158-R160 PolarHBondContact OD2-NE 2.72Å; D158-R160 IonicContact OD2-NH2 2.77Å; D158-R160 PolarHBondContact OD2-NH2 2.87Å
161	Y	62	Low	76.8	Confident	78 Å²	78	58.3 Å²	58.3	31%	0.306	28%	0.28	S	S	.	.	S	Bend	trans	-130.2	33.3	-169.2	-62.2	-79.8	0	0	0	112.8	D158 A163 S164 D168 L169 P170	D158-Y161 HydrophobicContact CB-CD2 4.16Å; D158-Y161 PolarHBondContact O-N 3.33Å; Y161-A163 PolarHBondContact O-N 2.9Å; Y161-S164 WeakPolarHBondContact CA-OG 3.2Å; Y161-S164 WeakPolarHBondContact O-CB 3.41Å; Y161-S164 PolarHBondContact O-N 3.29Å; Y161-S164 PolarHBondContact O-OG 3.29Å; Y161-S164 VanDerWaalsContact O-OG 3.12Å; Y161-D168 WeakPolarHBondContact CE1-O 3.06Å; Y161-L169 HydrophobicContact CG-CD2 4.47Å; Y161-P170 HydrophobicContact CD2-CG 3.89Å; Y161-P170 HydrophobicContact CE2-CG 3.97Å
162	E	61	Low	77.1	Confident	117 Å²	117	56.5 Å²	56.5	55%	0.547	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	125.4	169.5	-61.5	177.2	178.7	0	0	109.8	S164 L204	E162-S164 VanDerWaalsContact C-N 3.33Å; E162-S164 PolarHBondContact O-N 2.97Å; E162-L204 HydrophobicContact CG-CD1 4.25Å
163	A	58.2	Low	77.2	Confident	62 Å²	62	58.5 Å²	58.5	51%	0.512	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	31	-179.5	0	0	0	0	0	116	Y161 N208 I211	Y161-A163 PolarHBondContact O-N 2.9Å; A163-N208 WeakPolarHBondContact CA-OD1 3.22Å; A163-N208 PolarHBondContact N-OD1 3.02Å; A163-I211 HydrophobicContact CB-CD1 3.6Å
164	S	62	Low	77.2	Confident	27 Å²	27	61.2 Å²	61.2	19%	0.189	29%	0.293	C	S	.	.			trans	-91.6	166.4	178.2	-60.6	0	0	0	0	113.8	Y161 E162 I211	Y161-S164 WeakPolarHBondContact CA-OG 3.2Å; Y161-S164 WeakPolarHBondContact O-CB 3.41Å; Y161-S164 PolarHBondContact O-N 3.29Å; Y161-S164 PolarHBondContact O-OG 3.29Å; Y161-S164 VanDerWaalsContact O-OG 3.12Å; E162-S164 VanDerWaalsContact C-N 3.33Å; E162-S164 PolarHBondContact O-N 2.97Å; S164-I211 WeakPolarHBondContact O-CG2 3.47Å
165	R	63.8	Low	77	Confident	178 Å²	178	64.6 Å²	64.6	67%	0.672	31%	0.312	S	S	*	.			trans	-80.7	155.8	174.5	-60.6	175.2	173.7	178.5	-1.5	111	E167 D168 L169	R165-E167 PolarHBondContact O-N 3.46Å; R165-E167 VanDerWaalsContact O-N 3.14Å; R165-D168 WeakPolarHBondContact CB-OD2 3.45Å; R165-D168 WeakPolarHBondContact O-CB 3.46Å; R165-D168 PolarHBondContact O-N 3.23Å; R165-L169 PolarHBondContact O-N 3.07Å
166	L	67.8	Low	76.6	Confident	17 Å²	17	67.6 Å²	67.6	9%	0.089	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-37.2	179.2	-170.8	62.5	0	0	0	113.8	Y149 Y154 D168 L169 A212	Y149-L166 HydrophobicContact CD1-CD2 3.58Å; Y149-L166 HydrophobicContact CE1-CD2 4.2Å; Y149-L166 HydrophobicContact CG-CD2 3.9Å; Y154-L166 HydrophobicContact CD1-CD1 3.84Å; Y154-L166 HydrophobicContact CD1-CG 4.17Å; Y154-L166 WeakPolarHBondContact CD1-O 3.45Å; Y154-L166 HydrophobicContact CD2-CD1 3.63Å; Y154-L166 HydrophobicContact CD2-CG 4.13Å; Y154-L166 HydrophobicContact CE1-CD1 4.28Å; Y154-L166 HydrophobicContact CE1-CG 4.11Å; Y154-L166 WeakPolarHBondContact CE1-O 3.4Å; Y154-L166 HydrophobicContact CE2-CD1 4.12Å; Y154-L166 HydrophobicContact CE2-CD2 4.38Å; Y154-L166 HydrophobicContact CE2-CG 4.1Å; Y154-L166 HydrophobicContact CG-CD1 3.46Å; Y154-L166 VanDerWaalsContact CG-CD1 3.46Å; Y154-L166 HydrophobicContact CG-CG 4.15Å; L166-D168 VanDerWaalsContact C-N 3.28Å; L166-D168 PolarHBondContact O-N 3.42Å; L166-L169 HydrophobicContact CD1-CD1 4.24Å; L166-L169 PolarHBondContact O-N 3.46Å; L166-A212 HydrophobicContact CB-CB 3.79Å
167	E	68.9	Low	76.3	Confident	162 Å²	162	70 Å²	70	76%	0.757	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-27	179.2	-68.5	175.4	-142.2	0	0	113.7	R165	R165-E167 PolarHBondContact O-N 3.46Å; R165-E167 VanDerWaalsContact O-N 3.14Å
168	D	73.6	Confident	75.8	Confident	89 Å²	89	77 Å²	77	48%	0.476	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.7	178.7	-56.6	-57.7	0	0	0	112.5	Y161 R165 L166	Y161-D168 WeakPolarHBondContact CE1-O 3.06Å; R165-D168 WeakPolarHBondContact CB-OD2 3.45Å; R165-D168 WeakPolarHBondContact O-CB 3.46Å; R165-D168 PolarHBondContact O-N 3.23Å; L166-D168 VanDerWaalsContact C-N 3.28Å; L166-D168 PolarHBondContact O-N 3.42Å
169	L	77.6	Confident	75.7	Confident	5 Å²	5	83.7 Å²	83.7	3%	0.026	41%	0.413	C	S	.	.	S	Bend	trans	-69	150.2	-176.9	-70	-177.6	0	0	0	112.9	Y154 L156 Y161 R165 L166 K171	Y154-L169 HydrophobicContact CD1-CB 4.12Å; L156-L169 HydrophobicContact CD2-CD1 3.98Å; Y161-L169 HydrophobicContact CG-CD2 4.47Å; R165-L169 PolarHBondContact O-N 3.07Å; L166-L169 HydrophobicContact CD1-CD1 4.24Å; L166-L169 PolarHBondContact O-N 3.46Å; L169-K171 PolarHBondContact O-N 3.43Å
170	P	82.2	Confident	75.9	Confident	19 Å²	19	86 Å²	86	12%	0.123	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-61.8	123.9	-179.5	-19.5	30.8	0	0	0	112.2	Y154 D155 D158 Y161 V172	Y154-P170 WeakPolarHBondContact CA-O 3.49Å; D155-P170 HydrophobicContact CB-CB 4.24Å; D155-P170 HydrophobicContact CB-CG 4.36Å; D155-P170 PolarHBondContact N-O 3.17Å; D158-P170 HydrophobicContact CB-CG 3.71Å; D158-P170 WeakPolarHBondContact OD2-CG 3.42Å; Y161-P170 HydrophobicContact CD2-CG 3.89Å; Y161-P170 HydrophobicContact CE2-CG 3.97Å; P170-V172 PolarHBondContact O-N 3.02Å
171	K	89.3	Confident	76.5	Confident	112 Å²	112	81 Å²	81	49%	0.487	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.9	175.3	-68	-179.4	-179.6	176.2	0	110.7	V152 G153 Y154 L169 N186	V152-K171 HydrophobicContact CG1-CB 4.47Å; V152-K171 HydrophobicContact CG1-CD 3.96Å; V152-K171 HydrophobicContact CG1-CG 3.96Å; G153-K171 CarbonylContact O-C 3.59Å; G153-K171 WeakPolarHBondContact O-CA 3.3Å; Y154-K171 HydrophobicContact CD1-CG 4.24Å; Y154-K171 HydrophobicContact CE1-CG 4Å; L169-K171 PolarHBondContact O-N 3.43Å; K171-N186 PolarHBondContact O-ND2 2.99Å
172	V	91.4	Very high	77.6	Confident	8 Å²	8	78.9 Å²	78.9	5%	0.048	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.5	178.5	179.4	0	0	0	0	109.3	L146 G153 D155 P170 L184 K185 L187 M301	L146-V172 HydrophobicContact CD1-CB 3.94Å; L146-V172 HydrophobicContact CD1-CG1 4.12Å; L146-V172 HydrophobicContact CD1-CG2 3.79Å; G153-V172 PolarHBondContact O-N 2.93Å; D155-V172 HydrophobicContact CB-CG2 4.06Å; P170-V172 PolarHBondContact O-N 3.02Å; V172-L184 HydrophobicContact CG1-CB 3.98Å; V172-L184 HydrophobicContact CG1-CD2 4.29Å; V172-K185 CarbonylContact C-O 3.58Å; V172-K185 WeakPolarHBondContact CA-O 3.38Å; V172-L187 HydrophobicContact CG1-CB 4.01Å; V172-L187 HydrophobicContact CG2-CB 4Å; V172-L187 HydrophobicContact CG2-CD1 4.27Å; V172-M301 HydrophobicContact CB-CE 4.02Å; V172-M301 HydrophobicContact CG1-CE 3.8Å
173	M	89.2	Confident	78.8	Confident	89 Å²	89	77.8 Å²	77.8	44%	0.438	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.9	179.9	-61.2	-174.6	-59.7	0	0	110.6	K185	M173-K185 HydrophobicContact CE-CD 3.99Å; M173-K185 HydrophobicContact CE-CG 4.31Å; M173-K185 PolarHBondContact N-O 2.71Å; M173-K185 PolarHBondContact O-N 2.78Å
174	I	89.8	Confident	80.4	Confident	56 Å²	56	77.1 Å²	77.1	29%	0.287	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133	168	-72.6	157.4	0	0	0	109.3	I182 L184 M301 S304	I174-I182 HydrophobicContact CG2-CG2 4.18Å; I174-L184 HydrophobicContact CG1-CD2 3.71Å; I174-M301 HydrophobicContact CD1-CB 4.17Å; I174-M301 HydrophobicContact CD1-CE 4.46Å; I174-M301 HydrophobicContact CD1-CG 3.76Å; I174-M301 HydrophobicContact CD1-SD 4.48Å; I174-M301 HydrophobicContact CG1-CE 4.35Å; I174-S304 VanDerWaalsContact CD1-CB 3.47Å
175	L	87.2	Confident	81.7	Confident	90 Å²	90	81 Å²	81	47%	0.471	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.4	162.4	-62.3	175.1	0	0	0	108.1	H183 K185	L175-H183 HydrophobicContact CB-CB 4.4Å; L175-H183 PolarHBondContact N-O 2.74Å; L175-H183 PolarHBondContact O-N 2.67Å; L175-K185 HydrophobicContact CD1-CB 4.01Å; L175-K185 HydrophobicContact CD1-CD 3.84Å; L175-K185 HydrophobicContact CG-CB 4.43Å
176	E	84.9	Confident	82.9	Confident	63 Å²	63	76.5 Å²	76.5	29%	0.294	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.6	174.9	-170.3	170.8	174.4	0	0	107.8	Q180 N181 R298 R307	E176-Q180 HydrophobicContact CG-CB 4.38Å; E176-Q180 WeakPolarHBondContact OE1-CB 3.12Å; E176-N181 WeakPolarHBondContact CA-O 3.22Å; E176-R298 IonicContact OE1-CZ 2.72Å; E176-R298 IonicContact OE1-NE 3.71Å; E176-R298 IonicContact OE1-NH2 3.37Å; E176-R298 PolarHBondContact OE1-NH2 3.19Å; E176-R298 IonicContact OE2-CZ 3.68Å; E176-R298 IonicContact OE2-NE 3.61Å; E176-R298 PolarHBondContact OE2-NE 3.31Å; E176-R298 IonicContact OE2-NH2 2.8Å; E176-R298 PolarHBondContact OE2-NH2 3Å; E176-R307 IonicContact OE1-CZ 2.99Å; E176-R307 IonicContact OE1-NH1 3.48Å; E176-R307 PolarHBondContact OE1-NH1 3.4Å
177	D	83.4	Confident	84.1	Confident	52 Å²	52	76.7 Å²	76.7	28%	0.278	38%	0.384	S	S	.	.			trans	-90.3	-177.2	-178.3	69.6	20.5	0	0	0	113	E179 Q180 N181 H183	D177-E179 PolarHBondContact O-N 3.46Å; D177-E179 WeakPolarHBondContact OD1-CA 3.33Å; D177-E179 WeakPolarHBondContact OD1-CB 3.35Å; D177-E179 PolarHBondContact OD1-N 3.42Å; D177-Q180 PolarHBondContact O-N 2.84Å; D177-Q180 VanDerWaalsContact O-N 3.09Å; D177-Q180 PolarHBondContact OD1-N 3.25Å; D177-N181 PolarHBondContact N-O 3.31Å; D177-N181 VanDerWaalsContact N-O 3.14Å; D177-N181 PolarHBondContact OD1-N 3.4Å; D177-N181 PolarHBondContact OD1-ND2 3.01Å; D177-N181 WeakPolarHBondContact OD2-CB 3.21Å; D177-N181 PolarHBondContact OD2-ND2 3.35Å; D177-H183 IonicContact OD2-CD2 2.81Å; D177-H183 IonicContact OD2-CE1 2.76Å; D177-H183 IonicContact OD2-NE2 3.17Å; D177-H183 PolarHBondContact OD2-NE2 2.87Å
178	T	81.8	Confident	85.3	Confident	146 Å²	146	70.3 Å²	70.3	90%	0.896	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.9	178.9	42.1	0	0	0	0	114.1
179	E	77.7	Confident	86.2	Confident	153 Å²	153	69.9 Å²	69.9	72%	0.715	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	0.7	176.9	-65.6	175.3	-172.2	0	0	111.9	D177 N181	D177-E179 PolarHBondContact O-N 3.46Å; D177-E179 WeakPolarHBondContact OD1-CA 3.33Å; D177-E179 WeakPolarHBondContact OD1-CB 3.35Å; D177-E179 PolarHBondContact OD1-N 3.42Å; E179-N181 VanDerWaalsContact C-N 3.33Å; E179-N181 WeakPolarHBondContact CB-ND2 3.3Å; E179-N181 PolarHBondContact OE2-ND2 3.04Å
180	Q	74.9	Confident	87	Confident	104 Å²	104	74 Å²	74	49%	0.486	37%	0.373	S	S	.	.			trans	69.9	17.5	-174.6	-52.1	-173	13.1	0	0	115.6	E176 D177 R307	E176-Q180 HydrophobicContact CG-CB 4.38Å; E176-Q180 WeakPolarHBondContact OE1-CB 3.12Å; D177-Q180 PolarHBondContact O-N 2.84Å; D177-Q180 VanDerWaalsContact O-N 3.09Å; D177-Q180 PolarHBondContact OD1-N 3.25Å; Q180-R307 PolarHBondContact O-NH1 2.91Å
181	N	79.8	Confident	87.6	Confident	73 Å²	73	79.2 Å²	79.2	39%	0.39	40%	0.396	S	S	.	.			trans	-72	145	171.3	-48.6	-66.4	0	0	0	110.2	E176 D177 E179 H183	E176-N181 WeakPolarHBondContact CA-O 3.22Å; D177-N181 PolarHBondContact N-O 3.31Å; D177-N181 VanDerWaalsContact N-O 3.14Å; D177-N181 PolarHBondContact OD1-N 3.4Å; D177-N181 PolarHBondContact OD1-ND2 3.01Å; D177-N181 WeakPolarHBondContact OD2-CB 3.21Å; D177-N181 PolarHBondContact OD2-ND2 3.35Å; E179-N181 VanDerWaalsContact C-N 3.33Å; E179-N181 WeakPolarHBondContact CB-ND2 3.3Å; E179-N181 PolarHBondContact OE2-ND2 3.04Å; N181-H183 PolarHBondContact O-CD2 3.21Å
182	I	85.6	Confident	87.8	Confident	34 Å²	34	74.1 Å²	74.1	17%	0.174	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.4	-177.4	-71.3	175.1	0	0	0	110.3	I174 S304 R307	I174-I182 HydrophobicContact CG2-CG2 4.18Å; I182-S304 WeakPolarHBondContact CD1-O 3.22Å; I182-R307 HydrophobicContact CD1-CB 4Å; I182-R307 VanDerWaalsContact CD1-CD 3.5Å; I182-R307 HydrophobicContact CD1-CG 4.4Å
183	H	86	Confident	87.7	Confident	94 Å²	94	76.4 Å²	76.4	44%	0.435	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.8	-178.6	-63.3	-88.4	0	0	0	110.4	L175 D177 N181	L175-H183 HydrophobicContact CB-CB 4.4Å; L175-H183 PolarHBondContact N-O 2.74Å; L175-H183 PolarHBondContact O-N 2.67Å; D177-H183 IonicContact OD2-CD2 2.81Å; D177-H183 IonicContact OD2-CE1 2.76Å; D177-H183 IonicContact OD2-NE2 3.17Å; D177-H183 PolarHBondContact OD2-NE2 2.87Å; N181-H183 PolarHBondContact O-CD2 3.21Å
184	L	91	Very high	87.7	Confident	49 Å²	49	75 Å²	75	26%	0.257	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	98.3	-179.4	-62.5	179	0	0	0	110.5	L146 V172 I174 L187 M301 V305	L146-L184 HydrophobicContact CD2-CD1 4.31Å; V172-L184 HydrophobicContact CG1-CB 3.98Å; V172-L184 HydrophobicContact CG1-CD2 4.29Å; I174-L184 HydrophobicContact CG1-CD2 3.71Å; L184-L187 HydrophobicContact CB-CB 4.16Å; L184-L187 HydrophobicContact CB-CD2 4.07Å; L184-L187 HydrophobicContact CD1-CD2 3.69Å; L184-M301 HydrophobicContact CD2-CE 4.34Å; L184-V305 HydrophobicContact CD1-CG2 4.15Å; L184-V305 HydrophobicContact CD2-CG2 4.06Å
185	K	89.7	Confident	87.7	Confident	108 Å²	108	75.4 Å²	75.4	47%	0.47	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.3	178.2	179.3	169.5	176.1	-179.3	0	110.8	V172 M173 L175 L187	V172-K185 CarbonylContact C-O 3.58Å; V172-K185 WeakPolarHBondContact CA-O 3.38Å; M173-K185 HydrophobicContact CE-CD 3.99Å; M173-K185 HydrophobicContact CE-CG 4.31Å; M173-K185 PolarHBondContact N-O 2.71Å; M173-K185 PolarHBondContact O-N 2.78Å; L175-K185 HydrophobicContact CD1-CB 4.01Å; L175-K185 HydrophobicContact CD1-CD 3.84Å; L175-K185 HydrophobicContact CG-CB 4.43Å; K185-L187 VanDerWaalsContact C-N 3.3Å
186	N	89.7	Confident	87.7	Confident	83 Å²	83	75.8 Å²	75.8	44%	0.444	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	11.9	-173.9	-46.2	-25	0	0	0	115.5	K171	K171-N186 PolarHBondContact O-ND2 2.99Å
187	L	93.1	Very high	87.9	Confident	22 Å²	22	77 Å²	77	12%	0.115	40%	0.399	C	S	.	.			trans	-91.1	124.6	169.9	179.3	62.1	0	0	0	110	L146 D155 V172 L184 K185 V189	L146-L187 HydrophobicContact CB-CD1 4.15Å; L146-L187 HydrophobicContact CB-CD2 4.45Å; L146-L187 HydrophobicContact CD1-CD1 4.45Å; D155-L187 HydrophobicContact CB-CD1 4.22Å; V172-L187 HydrophobicContact CG1-CB 4.01Å; V172-L187 HydrophobicContact CG2-CB 4Å; V172-L187 HydrophobicContact CG2-CD1 4.27Å; L184-L187 HydrophobicContact CB-CB 4.16Å; L184-L187 HydrophobicContact CB-CD2 4.07Å; L184-L187 HydrophobicContact CD1-CD2 3.69Å; K185-L187 VanDerWaalsContact C-N 3.3Å; L187-V189 PolarHBondContact O-N 2.84Å
188	S	92.6	Very high	88.3	Confident	27 Å²	27	74.5 Å²	74.5	19%	0.189	39%	0.386	C	S	.	.			trans	-69.1	127	177.2	-67.5	0	0	0	0	111.8	S144 D155	S144-S188 WeakPolarHBondContact CA-O 3.3Å; S144-S188 WeakPolarHBondContact CB-O 3.49Å; D155-S188 WeakPolarHBondContact OD2-CA 3.41Å; D155-S188 WeakPolarHBondContact OD2-CB 3.18Å; D155-S188 PolarHBondContact OD2-N 2.67Å; D155-S188 PolarHBondContact OD2-OG 2.71Å
189	V	94.1	Very high	88.7	Confident	81 Å²	81	68.3 Å²	68.3	49%	0.491	35%	0.347	S	S	.	.			trans	-109.9	100.2	171.6	178.4	0	0	0	0	107.4	H142 L187	H142-V189 HydrophobicContact CB-CG1 3.52Å; L187-V189 PolarHBondContact O-N 2.84Å
190	R	93.8	Very high	89.1	Confident	92 Å²	92	62.6 Å²	62.6	35%	0.347	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.6	-172.5	-60.8	-68.4	-68.4	-144.4	-7.6	110	H142 I143 L157 S159 L201	H142-R190 CarbonylContact C-O 3.59Å; H142-R190 WeakPolarHBondContact CA-O 3.5Å; I143-R190 PolarHBondContact N-O 3.11Å; I143-R190 PolarHBondContact O-N 2.74Å; L157-R190 HydrophobicContact CB-CG 4.1Å; L157-R190 HydrophobicContact CD1-CG 4.25Å; S159-R190 PolarHBondContact OG-NH1 2.58Å; R190-L201 HydrophobicContact CB-CD1 3.74Å; R190-L201 HydrophobicContact CB-CD2 3.97Å; R190-L201 HydrophobicContact CG-CD2 3.98Å
191	Q	94.6	Very high	89.9	Confident	128 Å²	128	58.5 Å²	58.5	60%	0.598	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	143.9	169.8	-168.2	-179.4	-10.2	0	0	110	T140	T140-Q191 HydrophobicContact CG2-CG 4.24Å
192	S	93.5	Very high	90.5	Very high	5 Å²	5	55.1 Å²	55.1	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.1	170.5	36.2	0	0	0	0	109.9	Y128 M141	Y128-S192 VanDerWaalsContact OH-C 3.29Å; Y128-S192 VanDerWaalsContact OH-CB 3.32Å; Y128-S192 WeakPolarHBondContact OH-CB 3.37Å; Y128-S192 PolarHBondContact OH-O 3.2Å; Y128-S192 PolarHBondContact OH-OG 3.16Å; Y128-S192 VanDerWaalsContact OH-OG 3.08Å; M141-S192 PolarHBondContact O-N 2.84Å; M141-S192 VanDerWaalsContact O-N 3.12Å
193	G	88.9	Confident	90.5	Very high	56 Å²	56	55.4 Å²	55.4	58%	0.577	29%	0.285	S	S	*	.	S	Bend	trans	-87.1	-18.6	-177.8	0	0	0	0	0	114.3	E197	G193-E197 PolarHBondContact N-OE2 2.87Å
194	N	88.9	Confident	90.5	Very high	59 Å²	59	52.2 Å²	52.2	32%	0.316	27%	0.271	S	S	.	.	S	Bend	trans	-154.9	170.2	-175	53.3	70.4	0	0	0	111	Y128 E196 E197 A198	Y128-N194 VanDerWaalsContact CE1-CA 3.44Å; N194-E196 VanDerWaalsContact C-N 3.34Å; N194-E196 PolarHBondContact O-N 3.38Å; N194-E196 PolarHBondContact OD1-N 2.87Å; N194-E197 VanDerWaalsContact ND2-CD 3.26Å; N194-E197 PolarHBondContact ND2-OE1 3.36Å; N194-E197 PolarHBondContact O-N 2.95Å; N194-E197 WeakPolarHBondContact OD1-CG 3.35Å; N194-E197 PolarHBondContact OD1-N 2.98Å; N194-A198 PolarHBondContact O-N 3.4Å
195	E	90.7	Very high	90.4	Very high	65 Å²	65	49.9 Å²	49.9	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-40.7	179.3	-172.5	-172	165.5	0	0	112.7	S125 Y128 E197 A198 L199	S125-E195 VanDerWaalsContact CB-OE1 3.25Å; S125-E195 WeakPolarHBondContact CB-OE1 3.28Å; S125-E195 PolarHBondContact OG-OE1 2.87Å; Y128-E195 HydrophobicContact CD2-CB 4.05Å; Y128-E195 HydrophobicContact CG-CB 4.16Å; E195-E197 PolarHBondContact O-N 2.87Å; E195-A198 PolarHBondContact O-N 3.39Å; E195-L199 HydrophobicContact CG-CD1 3.93Å; E195-L199 HydrophobicContact CG-CG 4.24Å; E195-L199 WeakPolarHBondContact O-CG 3.34Å; E195-L199 PolarHBondContact O-N 2.83Å
196	E	86.9	Confident	90.1	Very high	98 Å²	98	45.5 Å²	45.5	46%	0.458	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-46.3	-179	-57.4	-162.3	144.3	0	0	111.2	N194 A198 L199 N200 R640	N194-E196 VanDerWaalsContact C-N 3.34Å; N194-E196 PolarHBondContact O-N 3.38Å; N194-E196 PolarHBondContact OD1-N 2.87Å; E196-A198 VanDerWaalsContact C-N 3.32Å; E196-A198 PolarHBondContact O-N 3.01Å; E196-L199 PolarHBondContact O-N 3.28Å; E196-N200 VanDerWaalsContact O-CB 3.29Å; E196-N200 WeakPolarHBondContact O-CB 3.5Å; E196-N200 PolarHBondContact O-N 3.39Å; E196-N200 PolarHBondContact O-ND2 2.99Å; E196-R640 IonicContact OE1-CZ 3.4Å; E196-R640 IonicContact OE1-NH1 3.85Å; E196-R640 PolarHBondContact OE1-NH1 2.91Å; E196-R640 IonicContact OE2-CZ 3.2Å; E196-R640 IonicContact OE2-NH1 2.77Å; E196-R640 PolarHBondContact OE2-NH1 2.78Å
197	E	89	Confident	89.7	Confident	88 Å²	88	42.4 Å²	42.4	41%	0.411	22%	0.224	S	C	.	.	H	α-helix	trans	-59.7	-40.9	174.5	-77.1	170.5	-151	0	0	112.4	G193 N194 E195 N200 L201	G193-E197 PolarHBondContact N-OE2 2.87Å; N194-E197 VanDerWaalsContact ND2-CD 3.26Å; N194-E197 PolarHBondContact ND2-OE1 3.36Å; N194-E197 PolarHBondContact O-N 2.95Å; N194-E197 WeakPolarHBondContact OD1-CG 3.35Å; N194-E197 PolarHBondContact OD1-N 2.98Å; E195-E197 PolarHBondContact O-N 2.87Å; E197-N200 PolarHBondContact O-N 2.9Å; E197-L201 WeakPolarHBondContact O-CG 3.44Å; E197-L201 PolarHBondContact O-N 3.16Å
198	A	91.6	Very high	89.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-42	178.6	0	0	0	0	0	112.6	L124 Y128 I143 N194 E195 E196 L201 L202	L124-A198 HydrophobicContact CD1-CB 4.14Å; L124-A198 HydrophobicContact CD2-CB 4.11Å; L124-A198 HydrophobicContact CG-CB 4.48Å; Y128-A198 HydrophobicContact CE2-CB 3.69Å; I143-A198 HydrophobicContact CD1-CB 3.65Å; N194-A198 PolarHBondContact O-N 3.4Å; E195-A198 PolarHBondContact O-N 3.39Å; E196-A198 VanDerWaalsContact C-N 3.32Å; E196-A198 PolarHBondContact O-N 3.01Å; A198-L201 PolarHBondContact O-N 3.47Å; A198-L202 PolarHBondContact O-N 3.47Å
199	L	89.6	Confident	88.7	Confident	15 Å²	15	40.6 Å²	40.6	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-67.3	-38.6	173.8	-70.1	174.6	0	0	0	111.7	P121 L124 E195 E196 L201 L202 F203	P121-L199 HydrophobicContact CB-CD2 3.72Å; L124-L199 HydrophobicContact CD1-CD2 4.19Å; E195-L199 HydrophobicContact CG-CD1 3.93Å; E195-L199 HydrophobicContact CG-CG 4.24Å; E195-L199 WeakPolarHBondContact O-CG 3.34Å; E195-L199 PolarHBondContact O-N 2.83Å; E196-L199 PolarHBondContact O-N 3.28Å; L199-L201 VanDerWaalsContact C-N 3.3Å; L199-L201 PolarHBondContact O-N 2.87Å; L199-L202 WeakPolarHBondContact O-CB 3.33Å; L199-L202 PolarHBondContact O-N 2.93Å; L199-L202 VanDerWaalsContact O-N 3.13Å; L199-F203 HydrophobicContact CB-CD2 4.45Å; L199-F203 HydrophobicContact CB-CE2 3.94Å; L199-F203 WeakPolarHBondContact O-CD2 3.3Å; L199-F203 WeakPolarHBondContact O-CG 3.44Å; L199-F203 PolarHBondContact O-N 3.42Å
200	N	88.1	Confident	87.6	Confident	34 Å²	34	39 Å²	39	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-35.3	174.9	-76.4	-43.7	0	0	0	112.4	E196 E197 F203 L204	E196-N200 VanDerWaalsContact O-CB 3.29Å; E196-N200 WeakPolarHBondContact O-CB 3.5Å; E196-N200 PolarHBondContact O-N 3.39Å; E196-N200 PolarHBondContact O-ND2 2.99Å; E197-N200 PolarHBondContact O-N 2.9Å; N200-F203 PolarHBondContact O-N 2.89Å; N200-L204 VanDerWaalsContact O-CB 3.29Å; N200-L204 WeakPolarHBondContact O-CB 3.46Å; N200-L204 PolarHBondContact O-N 2.82Å
201	L	90.9	Very high	86.4	Confident	17 Å²	17	37.2 Å²	37.2	9%	0.089	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-37	172.7	-71.2	169.5	0	0	0	112.3	I143 L157 R190 E197 A198 L199 G205	I143-L201 HydrophobicContact CB-CD1 4.21Å; I143-L201 HydrophobicContact CD1-CD1 4.25Å; L157-L201 HydrophobicContact CD1-CD2 4.47Å; L157-L201 HydrophobicContact CD2-CB 4.46Å; L157-L201 HydrophobicContact CD2-CD2 4.45Å; L157-L201 WeakPolarHBondContact CD2-O 3.16Å; R190-L201 HydrophobicContact CB-CD1 3.74Å; R190-L201 HydrophobicContact CB-CD2 3.97Å; R190-L201 HydrophobicContact CG-CD2 3.98Å; E197-L201 WeakPolarHBondContact O-CG 3.44Å; E197-L201 PolarHBondContact O-N 3.16Å; A198-L201 PolarHBondContact O-N 3.47Å; L199-L201 VanDerWaalsContact C-N 3.3Å; L199-L201 PolarHBondContact O-N 2.87Å; L201-G205 PolarHBondContact O-N 2.98Å
202	L	91.2	Very high	85	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-52.7	170.8	174.7	63.4	0	0	0	111	I120 P121 Y145 A198 L199 L204 G205 D206 F227	I120-L202 HydrophobicContact CB-CD2 4.31Å; I120-L202 HydrophobicContact CD1-CD1 4.21Å; I120-L202 HydrophobicContact CG2-CD1 4.07Å; I120-L202 HydrophobicContact CG2-CD2 3.93Å; P121-L202 HydrophobicContact CB-CD2 4.2Å; P121-L202 HydrophobicContact CG-CD2 4.43Å; Y145-L202 HydrophobicContact CE1-CD1 4.07Å; A198-L202 PolarHBondContact O-N 3.47Å; L199-L202 WeakPolarHBondContact O-CB 3.33Å; L199-L202 PolarHBondContact O-N 2.93Å; L199-L202 VanDerWaalsContact O-N 3.13Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.84Å; L202-G205 PolarHBondContact O-N 3.38Å; L202-D206 WeakPolarHBondContact CD1-OD2 3.42Å; L202-D206 PolarHBondContact O-N 2.89Å; L202-F227 HydrophobicContact CB-CE2 4.04Å; L202-F227 HydrophobicContact CB-CZ 4.44Å; L202-F227 HydrophobicContact CD1-CD2 4.02Å; L202-F227 HydrophobicContact CD1-CE2 3.9Å
203	F	87.2	Confident	83.6	Confident	41 Å²	41	34 Å²	34	18%	0.18	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-34.8	-178.7	-60.1	-44.4	0	0	0	113.2	L199 N200 T207	L199-F203 HydrophobicContact CB-CD2 4.45Å; L199-F203 HydrophobicContact CB-CE2 3.94Å; L199-F203 WeakPolarHBondContact O-CD2 3.3Å; L199-F203 WeakPolarHBondContact O-CG 3.44Å; L199-F203 PolarHBondContact O-N 3.42Å; N200-F203 PolarHBondContact O-N 2.89Å; F203-T207 VanDerWaalsContact O-CB 3.22Å; F203-T207 WeakPolarHBondContact O-CB 3.49Å; F203-T207 PolarHBondContact O-N 2.83Å; F203-T207 PolarHBondContact O-OG1 2.92Å
204	L	86.3	Confident	81.9	Confident	27 Å²	27	34.2 Å²	34.2	14%	0.141	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-50	172.2	174.1	61	0	0	0	111.1	E162 N200 L202 T207 N208	E162-L204 HydrophobicContact CG-CD1 4.25Å; N200-L204 VanDerWaalsContact O-CB 3.29Å; N200-L204 WeakPolarHBondContact O-CB 3.46Å; N200-L204 PolarHBondContact O-N 2.82Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.84Å; L204-T207 PolarHBondContact O-N 2.89Å; L204-N208 PolarHBondContact O-N 3.23Å
205	G	86.9	Confident	79.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-39.4	-179.7	0	0	0	0	0	113.2	L201 L202 T207 N208 R209	L201-G205 PolarHBondContact O-N 2.98Å; L202-G205 PolarHBondContact O-N 3.38Å; G205-T207 VanDerWaalsContact C-N 3.32Å; G205-T207 PolarHBondContact O-N 3.26Å; G205-N208 PolarHBondContact O-N 2.89Å; G205-R209 WeakPolarHBondContact O-CB 3.44Å; G205-R209 PolarHBondContact O-N 3.48Å
206	D	84.5	Confident	77.3	Confident	15 Å²	15	41.1 Å²	41.1	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-34.6	172.6	-89.1	-42.9	0	0	0	112.3	T108 Y145 L202 R209 M210	T108-D206 WeakPolarHBondContact CG2-OD2 3.34Å; Y145-D206 PolarHBondContact OH-OD1 3.44Å; L202-D206 WeakPolarHBondContact CD1-OD2 3.42Å; L202-D206 PolarHBondContact O-N 2.89Å; D206-R209 PolarHBondContact O-N 3.33Å; D206-R209 IonicContact OD1-CZ 3.15Å; D206-R209 IonicContact OD1-NE 3.15Å; D206-R209 PolarHBondContact OD1-NE 3.44Å; D206-R209 IonicContact OD1-NH2 2.78Å; D206-R209 PolarHBondContact OD1-NH2 2.78Å; D206-M210 WeakPolarHBondContact O-CB 3.32Å; D206-M210 WeakPolarHBondContact O-CG 3.34Å; D206-M210 PolarHBondContact O-N 3.08Å
207	T	81.7	Confident	75.5	Confident	18 Å²	18	39 Å²	39	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-70.3	-41.9	175.4	-59.2	0	0	0	0	111.4	F203 L204 G205 M210 I211 H650 L653	F203-T207 VanDerWaalsContact O-CB 3.22Å; F203-T207 WeakPolarHBondContact O-CB 3.49Å; F203-T207 PolarHBondContact O-N 2.83Å; F203-T207 PolarHBondContact O-OG1 2.92Å; L204-T207 PolarHBondContact O-N 2.89Å; G205-T207 VanDerWaalsContact C-N 3.32Å; G205-T207 PolarHBondContact O-N 3.26Å; T207-M210 PolarHBondContact O-N 2.7Å; T207-I211 HydrophobicContact CG2-CD1 3.94Å; T207-I211 WeakPolarHBondContact O-CG1 3.37Å; T207-I211 PolarHBondContact O-N 3.38Å; T207-H650 PolarHBondContact OG1-ND1 3.25Å; T207-L653 HydrophobicContact CG2-CD1 3.93Å
208	N	82.4	Confident	74	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-43.6	172.7	-72.8	-18.5	0	0	0	111.2	L156 A163 L204 G205 M210 I211 A212	L156-N208 HydrophobicContact CD2-CB 4.18Å; L156-N208 PolarHBondContact O-ND2 3.42Å; A163-N208 WeakPolarHBondContact CA-OD1 3.22Å; A163-N208 PolarHBondContact N-OD1 3.02Å; L204-N208 PolarHBondContact O-N 3.23Å; G205-N208 PolarHBondContact O-N 2.89Å; N208-M210 PolarHBondContact O-N 2.78Å; N208-I211 PolarHBondContact O-N 3.32Å; N208-A212 PolarHBondContact O-N 3.16Å
209	R	80.9	Confident	72.2	Confident	11 Å²	11	40.6 Å²	40.6	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-42.9	172.4	-178.5	164.9	70.6	145.3	-4.7	112.1	T108 G205 D206 I211 A212 E213 C225 D250	T108-R209 PolarHBondContact OG1-NH2 3.44Å; G205-R209 WeakPolarHBondContact O-CB 3.44Å; G205-R209 PolarHBondContact O-N 3.48Å; D206-R209 PolarHBondContact O-N 3.33Å; D206-R209 IonicContact OD1-CZ 3.15Å; D206-R209 IonicContact OD1-NE 3.15Å; D206-R209 PolarHBondContact OD1-NE 3.44Å; D206-R209 IonicContact OD1-NH2 2.78Å; D206-R209 PolarHBondContact OD1-NH2 2.78Å; R209-I211 VanDerWaalsContact C-N 3.31Å; R209-I211 PolarHBondContact O-N 3.01Å; R209-A212 WeakPolarHBondContact O-CB 3.42Å; R209-A212 PolarHBondContact O-N 2.98Å; R209-E213 PolarHBondContact O-N 3.46Å; R209-C225 WeakPolarHBondContact CD-SG 3.1Å; R209-C225 PolarHBondContact NH1-SG 3.01Å; R209-D250 IonicContact NH1-OD2 3.58Å; R209-D250 PolarHBondContact NH1-OD2 3.13Å
210	M	72.8	Confident	70.9	Confident	46 Å²	46	41 Å²	41	23%	0.227	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-25.9	175.5	-81.9	177.9	39.7	0	0	114.1	D206 T207 N208 E213	D206-M210 WeakPolarHBondContact O-CB 3.32Å; D206-M210 WeakPolarHBondContact O-CG 3.34Å; D206-M210 PolarHBondContact O-N 3.08Å; T207-M210 PolarHBondContact O-N 2.7Å; N208-M210 PolarHBondContact O-N 2.78Å; M210-E213 WeakPolarHBondContact O-CB 3.47Å; M210-E213 PolarHBondContact O-N 3.26Å
211	I	68.2	Low	70	Confident	56 Å²	56	41.3 Å²	41.3	29%	0.287	22%	0.224	S	C	.	.	H	α-helix	trans	-84.7	-22.5	176.7	-70	165.4	0	0	0	111.4	A163 S164 T207 N208 R209 E213	A163-I211 HydrophobicContact CB-CD1 3.6Å; S164-I211 WeakPolarHBondContact O-CG2 3.47Å; T207-I211 HydrophobicContact CG2-CD1 3.94Å; T207-I211 WeakPolarHBondContact O-CG1 3.37Å; T207-I211 PolarHBondContact O-N 3.38Å; N208-I211 PolarHBondContact O-N 3.32Å; R209-I211 VanDerWaalsContact C-N 3.31Å; R209-I211 PolarHBondContact O-N 3.01Å; I211-E213 VanDerWaalsContact C-N 3.34Å
212	A	63.8	Low	69.2	Low	11 Å²	11	42.4 Å²	42.4	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-69.7	-27.2	164.4	0	0	0	0	0	113.2	L166 N208 R209 T214	L166-A212 HydrophobicContact CB-CB 3.79Å; N208-A212 PolarHBondContact O-N 3.16Å; R209-A212 WeakPolarHBondContact O-CB 3.42Å; R209-A212 PolarHBondContact O-N 2.98Å; A212-T214 PolarHBondContact O-N 2.88Å; A212-T214 VanDerWaalsContact O-N 3.13Å
213	E	65.7	Low	68.9	Low	55 Å²	55	42.3 Å²	42.3	26%	0.257	23%	0.227	S	C	.	.			trans	-66.2	107.4	172.8	-62.1	-177.9	133.9	0	0	110.9	R209 M210 I211 S220 R657	R209-E213 PolarHBondContact O-N 3.46Å; M210-E213 WeakPolarHBondContact O-CB 3.47Å; M210-E213 PolarHBondContact O-N 3.26Å; I211-E213 VanDerWaalsContact C-N 3.34Å; E213-S220 WeakPolarHBondContact OE1-CB 3.28Å; E213-S220 PolarHBondContact OE1-OG 2.9Å; E213-R657 IonicContact OE2-CZ 3.58Å; E213-R657 IonicContact OE2-NH1 2.67Å; E213-R657 IonicContact OE2-NH2 3.58Å; E213-R657 PolarHBondContact OE2-NH2 3.32Å
214	T	52	Low	69.1	Low	59 Å²	59	40.5 Å²	40.5	36%	0.362	22%	0.218	S	C	.	.			trans	-106.1	157.8	167.2	61.7	0	0	0	0	110	A212 M216 N217	A212-T214 PolarHBondContact O-N 2.88Å; A212-T214 VanDerWaalsContact O-N 3.13Å; T214-M216 PolarHBondContact O-N 2.82Å; T214-N217 PolarHBondContact N-O 2.78Å; T214-N217 VanDerWaalsContact N-O 3.14Å; T214-N217 CarbonylContact O-C 3.2Å; T214-N217 PolarHBondContact O-N 2.86Å; T214-N217 WeakPolarHBondContact OG1-CB 3.4Å; T214-N217 PolarHBondContact OG1-N 3.15Å; T214-N217 VanDerWaalsContact OG1-N 3.09Å
215	P	45.3	Very low	69.5	Low	138 Å²	138	39.3 Å²	39.3	90%	0.896	21%	0.212	S	C	*	.	S	Bend	trans	-57.9	-20.8	176	-26.3	35.8	0	0	0	114.3
216	M	37.6	Very low	69.9	Low	132 Å²	132	39.3 Å²	39.3	65%	0.65	21%	0.213	S	C	*	.	S	Bend	trans	-87.6	-38.1	175.8	-165.2	164.1	-177.6	0	0	112.1	T214	T214-M216 PolarHBondContact O-N 2.82Å
217	N	49.8	Very low	70.6	Confident	54 Å²	54	38.7 Å²	38.7	29%	0.289	21%	0.209	S	C	.	.			trans	-116.6	95.3	-178.8	-53.5	-7.7	0	0	0	110.1	T214 A219	T214-N217 PolarHBondContact N-O 2.78Å; T214-N217 VanDerWaalsContact N-O 3.14Å; T214-N217 CarbonylContact O-C 3.2Å; T214-N217 PolarHBondContact O-N 2.86Å; T214-N217 WeakPolarHBondContact OG1-CB 3.4Å; T214-N217 PolarHBondContact OG1-N 3.15Å; T214-N217 VanDerWaalsContact OG1-N 3.09Å; N217-A219 PolarHBondContact O-N 3.5Å
218	Q	57.9	Low	71.3	Confident	118 Å²	118	38 Å²	38	55%	0.551	21%	0.205	S	C	*	.			trans	-76.7	61.2	175.9	-66.9	-174.6	-1.7	0	0	111.8	S220 T221	Q218-S220 PolarHBondContact O-N 2.99Å; Q218-T221 PolarHBondContact O-N 3.01Å; Q218-T221 PolarHBondContact O-OG1 3.3Å
219	A	52.6	Low	72.1	Confident	2 Å²	2	38 Å²	38	2%	0.017	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-53.1	-43.2	-166	0	0	0	0	0	114	N217 T221 R222 S223	N217-A219 PolarHBondContact O-N 3.5Å; A219-T221 PolarHBondContact O-N 3.02Å; A219-T221 VanDerWaalsContact O-N 3.09Å; A219-R222 CarbonylContact O-C 3.46Å; A219-R222 WeakPolarHBondContact O-CA 3.45Å; A219-R222 WeakPolarHBondContact O-CB 3.39Å; A219-R222 PolarHBondContact O-N 3.45Å; A219-S223 PolarHBondContact O-N 3.18Å; A219-S223 PolarHBondContact O-OG 2.94Å
220	S	62.4	Low	72.8	Confident	24 Å²	24	40.5 Å²	40.5	17%	0.168	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-60.4	-22.3	-177.7	62.2	0	0	0	0	115.4	E213 Q218 R222	E213-S220 WeakPolarHBondContact OE1-CB 3.28Å; E213-S220 PolarHBondContact OE1-OG 2.9Å; Q218-S220 PolarHBondContact O-N 2.99Å; S220-R222 VanDerWaalsContact C-N 3.28Å
221	T	69.1	Low	74	Confident	41 Å²	41	38.6 Å²	38.6	25%	0.252	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-85.3	-5.6	175	61.5	0	0	0	0	113.1	T99 Q218 A219 G253	T99-T221 HydrophobicContact CG2-CG2 3.72Å; Q218-T221 PolarHBondContact O-N 3.01Å; Q218-T221 PolarHBondContact O-OG1 3.3Å; A219-T221 PolarHBondContact O-N 3.02Å; A219-T221 VanDerWaalsContact O-N 3.09Å; T221-G253 PolarHBondContact O-N 3Å
222	R	75.1	Confident	75.2	Confident	39 Å²	39	37.5 Å²	37.5	15%	0.147	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-27.4	-159	-69.6	-171.7	179.5	-172.1	-3.2	113.5	A219 S220 A252 E269 I273	A219-R222 CarbonylContact O-C 3.46Å; A219-R222 WeakPolarHBondContact O-CA 3.45Å; A219-R222 WeakPolarHBondContact O-CB 3.39Å; A219-R222 PolarHBondContact O-N 3.45Å; S220-R222 VanDerWaalsContact C-N 3.28Å; R222-A252 WeakPolarHBondContact O-CB 3.41Å; R222-E269 WeakPolarHBondContact CD-OE1 3.47Å; R222-E269 IonicContact CZ-OE1 2.68Å; R222-E269 IonicContact NE-OE1 3.72Å; R222-E269 IonicContact NH1-OE1 2.73Å; R222-E269 PolarHBondContact NH1-OE1 2.95Å; R222-E269 IonicContact NH1-OE2 3.58Å; R222-E269 PolarHBondContact NH1-OE2 2.84Å; R222-I273 HydrophobicContact CB-CD1 3.43Å; R222-I273 VanDerWaalsContact CB-CD1 3.43Å; R222-I273 HydrophobicContact CB-CG1 4.06Å; R222-I273 HydrophobicContact CG-CD1 3.56Å; R222-I273 WeakPolarHBondContact O-CG1 3.26Å; R222-I273 WeakPolarHBondContact O-CG2 3.24Å
223	S	85.7	Confident	76.5	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	21%	0.207	C	C	.	.	S	Bend	trans	-85.5	166.7	168.8	61.7	0	0	0	0	111.8	E147 I148 A219 A252	E147-S223 WeakPolarHBondContact OE1-CB 3.3Å; E147-S223 PolarHBondContact OE1-OG 3.43Å; I148-S223 CarbonylContact O-C 3.55Å; I148-S223 VanDerWaalsContact O-CA 3.28Å; I148-S223 WeakPolarHBondContact O-CA 3.47Å; I148-S223 WeakPolarHBondContact O-CB 3.37Å; A219-S223 PolarHBondContact O-N 3.18Å; A219-S223 PolarHBondContact O-OG 2.94Å; S223-A252 WeakPolarHBondContact O-CA 3.35Å; S223-A252 WeakPolarHBondContact O-CB 3.43Å; S223-A252 PolarHBondContact O-N 2.56Å
224	H	91.5	Very high	77.6	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.6	167.6	-48.6	-90.5	0	0	0	108.8	E147 I148 D250 L251 A252 S276 L302	E147-H224 CarbonylContact C-O 3.55Å; E147-H224 WeakPolarHBondContact CA-O 3.31Å; I148-H224 HydrophobicContact CB-CB 4.36Å; I148-H224 PolarHBondContact N-O 3.29Å; I148-H224 PolarHBondContact O-N 3.41Å; H224-D250 CarbonylContact C-O 3.18Å; H224-D250 WeakPolarHBondContact CA-O 3.45Å; H224-L251 HydrophobicContact CB-CD2 4.26Å; H224-L251 WeakPolarHBondContact ND1-CA 3.45Å; H224-L251 WeakPolarHBondContact ND1-CD2 3.49Å; H224-A252 WeakPolarHBondContact CE1-CB 3.44Å; H224-A252 PolarHBondContact CE1-N 3.46Å; H224-A252 PolarHBondContact ND1-N 3.04Å; H224-S276 PolarHBondContact NE2-OG 3.14Å; H224-L302 HydrophobicContact CB-CD1 4.15Å
225	C	93.1	Very high	79.3	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119	-178.8	-57.3	0	0	0	0	109.2	Y145 L146 R209 V249 D250	Y145-C225 HydrophobicContact CE2-CB 3.97Å; L146-C225 WeakPolarHBondContact O-CA 3.42Å; R209-C225 WeakPolarHBondContact CD-SG 3.1Å; R209-C225 PolarHBondContact NH1-SG 3.01Å; C225-V249 WeakPolarHBondContact O-CA 3.3Å; C225-D250 HydrophobicContact CB-CB 4.3Å; C225-D250 PolarHBondContact N-O 2.85Å; C225-D250 PolarHBondContact O-N 2.96Å
226	V	96.8	Very high	81.1	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	94.6	179.2	-178.6	0	0	0	0	108.3	L146 I148 V249 V305	L146-V226 HydrophobicContact CB-CB 4.36Å; L146-V226 PolarHBondContact N-O 3.41Å; L146-V226 PolarHBondContact O-N 2.9Å; I148-V226 HydrophobicContact CD1-CG2 4.45Å; V226-V249 HydrophobicContact CG1-CG2 4.25Å; V226-V249 HydrophobicContact CG2-CG1 4.08Å; V226-V249 HydrophobicContact CG2-CG2 4.33Å; V226-V305 HydrophobicContact CG1-CG1 4.11Å; V226-V305 HydrophobicContact CG2-CG1 4.39Å
227	F	97.6	Very high	83	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	124.8	169.9	-170	-87.2	0	0	0	108.2	I120 L124 I143 Y145 L202 I229 L248	I120-F227 HydrophobicContact CD1-CB 3.76Å; I120-F227 HydrophobicContact CD1-CD1 4.43Å; I120-F227 HydrophobicContact CD1-CD2 4.4Å; I120-F227 HydrophobicContact CD1-CG 3.97Å; I120-F227 HydrophobicContact CG1-CB 4.46Å; I120-F227 HydrophobicContact CG1-CD1 4.43Å; I120-F227 HydrophobicContact CG1-CG 4.46Å; I120-F227 HydrophobicContact CG2-CD1 3.6Å; I120-F227 HydrophobicContact CG2-CD2 4.26Å; I120-F227 HydrophobicContact CG2-CE1 3.48Å; I120-F227 VanDerWaalsContact CG2-CE1 3.48Å; I120-F227 HydrophobicContact CG2-CE2 4.17Å; I120-F227 HydrophobicContact CG2-CG 4Å; I120-F227 HydrophobicContact CG2-CZ 3.78Å; L124-F227 HydrophobicContact CD1-CE1 4.39Å; L124-F227 HydrophobicContact CD1-CZ 4.05Å; L124-F227 HydrophobicContact CD2-CE1 4.3Å; I143-F227 HydrophobicContact CD1-CZ 4.16Å; I143-F227 HydrophobicContact CG1-CZ 4.43Å; I143-F227 HydrophobicContact CG2-CD2 4.48Å; I143-F227 HydrophobicContact CG2-CE1 3.97Å; I143-F227 HydrophobicContact CG2-CE2 3.69Å; I143-F227 HydrophobicContact CG2-CZ 3.4Å; Y145-F227 AromaticContact CD1-CD2 3.71Å; Y145-F227 HydrophobicContact CD1-CD2 3.71Å; Y145-F227 HydrophobicContact CD1-CE2 4.19Å; Y145-F227 HydrophobicContact CD2-CB 3.85Å; Y145-F227 AromaticContact CD2-CD2 3.83Å; Y145-F227 HydrophobicContact CD2-CD2 3.83Å; Y145-F227 HydrophobicContact CD2-CG 4.32Å; Y145-F227 HydrophobicContact CE1-CD2 4Å; Y145-F227 HydrophobicContact CE2-CB 3.88Å; Y145-F227 HydrophobicContact CE2-CD2 4.08Å; Y145-F227 AromaticContact CG-CD2 3.65Å; Y145-F227 HydrophobicContact CG-CD2 3.65Å; Y145-F227 HydrophobicContact CG-CE2 4.4Å; L202-F227 HydrophobicContact CB-CE2 4.04Å; L202-F227 HydrophobicContact CB-CZ 4.44Å; L202-F227 HydrophobicContact CD1-CD2 4.02Å; L202-F227 HydrophobicContact CD1-CE2 3.9Å; F227-I229 HydrophobicContact CD1-CG1 4.12Å; F227-I229 HydrophobicContact CE1-CD1 4.14Å; F227-I229 HydrophobicContact CE1-CG1 3.68Å; F227-L248 HydrophobicContact CB-CB 4.42Å; F227-L248 HydrophobicContact CD1-CD1 4.5Å; F227-L248 PolarHBondContact N-O 3Å; F227-L248 PolarHBondContact O-N 3.26Å
228	T	97.8	Very high	84.6	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.9	-176.1	-49.5	0	0	0	0	111.1	I143 S144 K245 L246 H247	I143-T228 WeakPolarHBondContact CA-O 3.37Å; S144-T228 PolarHBondContact N-O 2.89Å; S144-T228 PolarHBondContact O-N 3.19Å; T228-K245 HydrophobicContact CG2-CD 4.34Å; T228-K245 HydrophobicContact CG2-CG 3.68Å; T228-L246 WeakPolarHBondContact CA-O 3.41Å; T228-H247 WeakPolarHBondContact CG2-ND1 3.32Å; T228-H247 PolarHBondContact OG1-CE1 3.37Å; T228-H247 PolarHBondContact OG1-ND1 2.8Å
229	I	98.1	Very high	85.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.3	171.1	-55.6	165.1	0	0	0	107.3	T123 L124 L127 M141 F227 L246 L248	T123-I229 HydrophobicContact CG2-CD1 4.18Å; L124-I229 HydrophobicContact CD2-CD1 3.66Å; L124-I229 HydrophobicContact CD2-CG1 4.1Å; L127-I229 HydrophobicContact CD1-CD1 4.03Å; L127-I229 HydrophobicContact CD1-CG2 4.24Å; M141-I229 HydrophobicContact CE-CG2 4.1Å; M141-I229 HydrophobicContact CG-CG2 3.64Å; M141-I229 HydrophobicContact SD-CG2 3.76Å; F227-I229 HydrophobicContact CD1-CG1 4.12Å; F227-I229 HydrophobicContact CE1-CD1 4.14Å; F227-I229 HydrophobicContact CE1-CG1 3.68Å; I229-L246 HydrophobicContact CB-CB 4.3Å; I229-L246 HydrophobicContact CD1-CD2 4.38Å; I229-L246 PolarHBondContact N-O 3.48Å; I229-L246 PolarHBondContact O-N 2.72Å; I229-L248 HydrophobicContact CD1-CD1 4.2Å
230	H	96.9	Very high	87.3	Confident	64 Å²	64	33.1 Å²	33.1	30%	0.296	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.8	172.7	-51.8	-99.7	0	0	0	107.6	H142 S144	H142-H230 HydrophobicContact CB-CB 4.38Å; H142-H230 PolarHBondContact N-O 2.98Å; H142-H230 PolarHBondContact O-N 3.36Å; S144-H230 WeakPolarHBondContact CB-NE2 3.36Å; S144-H230 PolarHBondContact OG-NE2 2.97Å
231	L	96.1	Very high	88.6	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.5	-179.4	-176.9	61.1	0	0	0	110.3	V85 L86 F131 Y139 R243 S244	V85-L231 HydrophobicContact CG1-CB 4.43Å; V85-L231 HydrophobicContact CG1-CD2 4.2Å; L86-L231 HydrophobicContact CD2-CD2 4.04Å; F131-L231 HydrophobicContact CE1-CD1 3.77Å; F131-L231 HydrophobicContact CE1-CD2 4.28Å; F131-L231 HydrophobicContact CZ-CD1 3.5Å; F131-L231 VanDerWaalsContact CZ-CD1 3.5Å; Y139-L231 HydrophobicContact CD1-CD1 3.98Å; Y139-L231 HydrophobicContact CD1-CD2 4.45Å; Y139-L231 HydrophobicContact CD1-CG 4.48Å; L231-R243 WeakPolarHBondContact O-CA 3.25Å; L231-S244 PolarHBondContact N-O 2.76Å; L231-S244 PolarHBondContact O-N 3.11Å
232	C	94.3	Very high	89.8	Confident	34 Å²	34	33.4 Å²	33.4	23%	0.23	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.3	165.5	-172.4	0	0	0	0	108.6	Y139 T140 L241 R242	Y139-C232 WeakPolarHBondContact CA-O 3.47Å; T140-C232 PolarHBondContact N-O 3.24Å; T140-C232 PolarHBondContact O-N 3.16Å; C232-L241 VanDerWaalsContact SG-CD1 3.56Å; C232-R242 WeakPolarHBondContact CA-O 3.44Å
233	R	91.7	Very high	90.7	Very high	37 Å²	37	36.3 Å²	36.3	14%	0.14	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.5	173.1	177	-177.8	178.1	133.3	15.6	109.1	L86 E134 M137 Y139 L241 R242	L86-R233 WeakPolarHBondContact O-CD 3.25Å; L86-R233 PolarHBondContact O-NH1 3.44Å; L86-R233 VanDerWaalsContact O-NH1 3.16Å; E134-R233 IonicContact OE1-NH1 3.22Å; E134-R233 IonicContact OE2-CZ 2.86Å; E134-R233 IonicContact OE2-NH1 3.81Å; E134-R233 PolarHBondContact OE2-NH1 3.5Å; E134-R233 IonicContact OE2-NH2 3.7Å; E134-R233 PolarHBondContact OE2-NH2 2.93Å; M137-R233 PolarHBondContact SD-NH2 3.32Å; Y139-R233 HydrophobicContact CD1-CB 4.04Å; Y139-R233 HydrophobicContact CD1-CG 4.21Å; Y139-R233 HydrophobicContact CE1-CB 3.81Å; Y139-R233 HydrophobicContact CE1-CG 3.65Å; Y139-R233 PolarHBondContact OH-NH1 3.26Å; R233-L241 WeakPolarHBondContact O-CA 3.24Å; R233-R242 PolarHBondContact N-O 3.36Å; R233-R242 PolarHBondContact O-N 3.15Å
234	R	89.1	Confident	91.2	Very high	76 Å²	76	36.7 Å²	36.7	29%	0.287	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.1	174.4	-176.8	-176.3	-168.3	148.6	14.9	111.3	M138 S238 D356	M138-R234 HydrophobicContact CB-CB 4.32Å; M138-R234 PolarHBondContact N-O 3.04Å; M138-R234 PolarHBondContact O-N 3.3Å; R234-S238 PolarHBondContact NE-O 2.84Å; R234-S238 VanDerWaalsContact NE-O 3.08Å; R234-S238 PolarHBondContact NH2-O 3.17Å; R234-D356 IonicContact CZ-OD2 2.75Å; R234-D356 VanDerWaalsContact CZ-OD2 3.22Å; R234-D356 IonicContact NH1-OD2 3.13Å; R234-D356 PolarHBondContact NH1-OD2 3.26Å; R234-D356 IonicContact NH2-OD2 2.81Å; R234-D356 PolarHBondContact NH2-OD2 3.01Å
235	E	87.6	Confident	91.4	Very high	81 Å²	81	39 Å²	39	38%	0.379	22%	0.219	S	C	.	.			trans	-83.6	133.2	171.4	-41.6	-164.2	150.9	0	0	109.4	M137 G237 S238	M137-E235 HydrophobicContact CE-CB 4.46Å; M137-E235 HydrophobicContact CE-CG 4.08Å; M137-E235 HydrophobicContact SD-CB 4.21Å; M137-E235 HydrophobicContact SD-CG 3.78Å; E235-G237 PolarHBondContact O-N 3.4Å; E235-S238 VanDerWaalsContact O-CB 3.31Å; E235-S238 WeakPolarHBondContact O-CB 3.42Å; E235-S238 PolarHBondContact O-N 2.9Å
236	P	82.9	Confident	91.6	Very high	83 Å²	83	39 Å²	39	54%	0.539	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	132.3	179.6	-27.5	35.6	0	0	0	112.4	S136 S238	S136-P236 WeakPolarHBondContact O-CD 3.32Å; S136-P236 WeakPolarHBondContact O-CG 3.47Å; P236-S238 PolarHBondContact O-N 3Å
237	G	76.9	Confident	91.7	Very high	88 Å²	88	39.4 Å²	39.4	91%	0.907	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	-15.1	-174.5	0	0	0	0	0	115	E235	E235-G237 PolarHBondContact O-N 3.4Å
238	S	82.9	Confident	91.7	Very high	29 Å²	29	39.3 Å²	39.3	20%	0.203	22%	0.22	C	C	.	.			trans	-70.5	142.7	174.7	-171.4	0	0	0	0	112	R234 E235 P236 T240	R234-S238 PolarHBondContact NE-O 2.84Å; R234-S238 VanDerWaalsContact NE-O 3.08Å; R234-S238 PolarHBondContact NH2-O 3.17Å; E235-S238 VanDerWaalsContact O-CB 3.31Å; E235-S238 WeakPolarHBondContact O-CB 3.42Å; E235-S238 PolarHBondContact O-N 2.9Å; P236-S238 PolarHBondContact O-N 3Å; S238-T240 PolarHBondContact OG-N 2.85Å; S238-T240 PolarHBondContact OG-O 3.28Å; S238-T240 PolarHBondContact OG-OG1 3.29Å
239	A	80.8	Confident	91.7	Very high	42 Å²	42	39.1 Å²	39.1	35%	0.347	22%	0.219	S	C	.	.	S	Bend	trans	-86.6	-12.7	167.7	0	0	0	0	0	112.8	L355 D356 L359	A239-L355 HydrophobicContact CB-CD2 4.36Å; A239-D356 PolarHBondContact O-N 3.14Å; A239-L359 HydrophobicContact CB-CD1 3.87Å
240	T	86.4	Confident	91.5	Very high	40 Å²	40	39.3 Å²	39.3	25%	0.245	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	152.4	170.5	65.2	0	0	0	0	111.4	S238 E353 E354 L355	S238-T240 PolarHBondContact OG-N 2.85Å; S238-T240 PolarHBondContact OG-O 3.28Å; S238-T240 PolarHBondContact OG-OG1 3.29Å; T240-E353 WeakPolarHBondContact CB-OE1 3.36Å; T240-E353 HydrophobicContact CG2-CG 4.22Å; T240-E353 WeakPolarHBondContact CG2-OE1 3.18Å; T240-E353 PolarHBondContact OG1-OE1 3.03Å; T240-E354 CarbonylContact C-O 3.56Å; T240-E354 VanDerWaalsContact CA-O 3.3Å; T240-E354 WeakPolarHBondContact CA-O 3.41Å; T240-L355 HydrophobicContact CG2-CD2 4.12Å
241	L	90.6	Very high	91.3	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.8	164.9	67.1	125.9	0	0	0	108.9	C232 R233 R243 E353 E354 D356	C232-L241 VanDerWaalsContact SG-CD1 3.56Å; R233-L241 WeakPolarHBondContact O-CA 3.24Å; L241-R243 HydrophobicContact CD1-CG 3.49Å; L241-R243 VanDerWaalsContact CD1-CG 3.49Å; L241-E353 WeakPolarHBondContact O-CA 3.38Å; L241-E354 HydrophobicContact CD1-CG 3.95Å; L241-E354 HydrophobicContact CD2-CG 3.97Å; L241-E354 HydrophobicContact CG-CG 3.72Å; L241-E354 PolarHBondContact N-O 2.86Å; L241-E354 PolarHBondContact O-N 2.65Å; L241-D356 HydrophobicContact CD2-CB 4.03Å
242	R	93.6	Very high	91	Very high	61 Å²	61	36.1 Å²	36.1	23%	0.23	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.2	170.5	-62.9	-174.2	-178.8	130.4	15	109.8	A87 C232 R233 N352 E353	A87-R242 VanDerWaalsContact O-CD 3.23Å; A87-R242 WeakPolarHBondContact O-CD 3.45Å; C232-R242 WeakPolarHBondContact CA-O 3.44Å; R233-R242 PolarHBondContact N-O 3.36Å; R233-R242 PolarHBondContact O-N 3.15Å; R242-N352 VanDerWaalsContact CA-O 3.3Å; R242-N352 WeakPolarHBondContact CA-O 3.24Å; R242-E353 HydrophobicContact CG-CB 4.05Å; R242-E353 HydrophobicContact CG-CG 4.11Å; R242-E353 IonicContact CZ-OE2 3.16Å; R242-E353 IonicContact NE-OE2 2.74Å; R242-E353 PolarHBondContact NE-OE2 2.96Å; R242-E353 IonicContact NH2-OE1 2.71Å; R242-E353 IonicContact NH2-OE2 3.62Å; R242-E353 PolarHBondContact NH2-OE2 2.94Å
243	R	93.9	Very high	90.7	Very high	101 Å²	101	34.8 Å²	34.8	38%	0.381	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.2	172.3	-62.5	-164.3	-169.6	114.7	24.1	110.6	L231 L241 N352 E354	L231-R243 WeakPolarHBondContact O-CA 3.25Å; L241-R243 HydrophobicContact CD1-CG 3.49Å; L241-R243 VanDerWaalsContact CD1-CG 3.49Å; R243-N352 PolarHBondContact N-O 2.91Å; R243-N352 VanDerWaalsContact N-O 3.11Å; R243-N352 WeakPolarHBondContact O-CB 3.37Å; R243-N352 PolarHBondContact O-ND2 2.91Å; R243-E354 VanDerWaalsContact CD-OE1 3.32Å; R243-E354 WeakPolarHBondContact CD-OE1 3.25Å; R243-E354 WeakPolarHBondContact CG-OE1 3.16Å; R243-E354 IonicContact CZ-OE1 2.68Å; R243-E354 IonicContact CZ-OE2 3.75Å; R243-E354 IonicContact NE-OE1 2.62Å; R243-E354 PolarHBondContact NE-OE1 3.16Å; R243-E354 IonicContact NH1-OE1 2.67Å; R243-E354 PolarHBondContact NH1-OE1 3.49Å; R243-E354 IonicContact NH1-OE2 3.38Å; R243-E354 PolarHBondContact NH1-OE2 3.05Å; R243-E354 VanDerWaalsContact NH2-CD 3.26Å; R243-E354 IonicContact NH2-OE1 3.25Å; R243-E354 PolarHBondContact NH2-OE1 2.9Å; R243-E354 IonicContact NH2-OE2 3.8Å; R243-E354 PolarHBondContact NH2-OE2 2.67Å
244	S	95.9	Very high	90.4	Very high	8 Å²	8	33.8 Å²	33.8	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.8	176.4	43.2	0	0	0	0	110.5	V85 Y89 L231	V85-S244 VanDerWaalsContact O-CB 3.31Å; V85-S244 WeakPolarHBondContact O-CB 3.43Å; V85-S244 PolarHBondContact O-OG 3.39Å; Y89-S244 WeakPolarHBondContact O-CB 3.33Å; L231-S244 PolarHBondContact N-O 2.76Å; L231-S244 PolarHBondContact O-N 3.11Å
245	K	95.5	Very high	89.9	Confident	51 Å²	51	31.8 Å²	31.8	22%	0.222	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.7	179.2	-166.5	-163	-55.8	173.5	0	108.4	N90 G91 T228 H247 D308	N90-K245 CarbonylContact C-O 3.6Å; N90-K245 WeakPolarHBondContact CA-O 3.45Å; N90-K245 WeakPolarHBondContact OD1-CB 3.5Å; N90-K245 PolarHBondContact OD1-N 2.89Å; G91-K245 PolarHBondContact N-O 2.77Å; T228-K245 HydrophobicContact CG2-CD 4.34Å; T228-K245 HydrophobicContact CG2-CG 3.68Å; K245-H247 WeakPolarHBondContact CD-NE2 3.38Å; K245-D308 IonicContact NZ-OD2 2.85Å; K245-D308 PolarHBondContact NZ-OD2 2.84Å
246	L	97.9	Very high	89	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	108.8	174.6	178	50.9	0	0	0	110.2	V81 V85 G91 T123 T228 I229 L248	V81-L246 HydrophobicContact CG1-CD1 3.7Å; V85-L246 HydrophobicContact CG1-CB 4.17Å; V85-L246 HydrophobicContact CG2-CB 3.89Å; V85-L246 HydrophobicContact CG2-CD1 4.27Å; V85-L246 HydrophobicContact CG2-CD2 4.27Å; V85-L246 HydrophobicContact CG2-CG 4.36Å; G91-L246 WeakPolarHBondContact O-CA 3.34Å; T123-L246 HydrophobicContact CG2-CD2 3.81Å; T228-L246 WeakPolarHBondContact CA-O 3.41Å; I229-L246 HydrophobicContact CB-CB 4.3Å; I229-L246 HydrophobicContact CD1-CD2 4.38Å; I229-L246 PolarHBondContact N-O 3.48Å; I229-L246 PolarHBondContact O-N 2.72Å; L246-L248 HydrophobicContact CD1-CD2 3.9Å; L246-L248 HydrophobicContact CD1-CG 4.49Å; L246-L248 HydrophobicContact CD2-CD2 4.34Å; L246-L248 HydrophobicContact CG-CD2 4.01Å; L246-L248 HydrophobicContact CG-CG 4.15Å
247	H	98	Very high	88	Confident	10 Å²	10	32.6 Å²	32.6	5%	0.046	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.7	170.6	-65	-60	0	0	0	110.8	G91 T92 I93 T228 K245 V249	G91-H247 PolarHBondContact O-N 2.97Å; T92-H247 CarbonylContact C-O 3.53Å; T92-H247 VanDerWaalsContact CA-O 3.3Å; T92-H247 WeakPolarHBondContact CA-O 2.91Å; T92-H247 HydrophobicContact CG2-CB 4.01Å; I93-H247 PolarHBondContact N-O 3.14Å; T228-H247 WeakPolarHBondContact CG2-ND1 3.32Å; T228-H247 PolarHBondContact OG1-CE1 3.37Å; T228-H247 PolarHBondContact OG1-ND1 2.8Å; K245-H247 WeakPolarHBondContact CD-NE2 3.38Å; H247-V249 HydrophobicContact CB-CG2 3.97Å
248	L	98.1	Very high	87.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.2	172.5	-58.1	178.3	0	0	0	107.3	I93 I119 I120 T123 F227 I229 L246	I93-L248 HydrophobicContact CB-CD2 3.88Å; I93-L248 HydrophobicContact CD1-CD2 3.79Å; I93-L248 HydrophobicContact CG1-CD2 3.95Å; I93-L248 WeakPolarHBondContact O-CA 3.29Å; I119-L248 HydrophobicContact CG2-CD1 4.39Å; I119-L248 HydrophobicContact CG2-CD2 3.99Å; I120-L248 HydrophobicContact CB-CD1 4.16Å; I120-L248 HydrophobicContact CD1-CB 4.4Å; I120-L248 HydrophobicContact CG1-CB 3.79Å; I120-L248 HydrophobicContact CG1-CD1 3.74Å; I120-L248 HydrophobicContact CG1-CG 4.42Å; I120-L248 HydrophobicContact CG2-CD1 4.28Å; T123-L248 HydrophobicContact CG2-CD1 4.37Å; F227-L248 HydrophobicContact CB-CB 4.42Å; F227-L248 HydrophobicContact CD1-CD1 4.5Å; F227-L248 PolarHBondContact N-O 3Å; F227-L248 PolarHBondContact O-N 3.26Å; I229-L248 HydrophobicContact CD1-CD1 4.2Å; L246-L248 HydrophobicContact CD1-CD2 3.9Å; L246-L248 HydrophobicContact CD1-CG 4.49Å; L246-L248 HydrophobicContact CD2-CD2 4.34Å; L246-L248 HydrophobicContact CG-CD2 4.01Å; L246-L248 HydrophobicContact CG-CG 4.15Å
249	V	97.4	Very high	85.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.8	-159.8	-172.7	0	0	0	0	112.2	I93 F94 A95 C225 V226 H247 L251 L306	I93-V249 PolarHBondContact O-N 3.46Å; F94-V249 WeakPolarHBondContact CA-O 3.3Å; F94-V249 HydrophobicContact CB-CB 3.77Å; F94-V249 HydrophobicContact CB-CG1 4.32Å; F94-V249 HydrophobicContact CB-CG2 4.44Å; A95-V249 PolarHBondContact N-O 3.18Å; C225-V249 WeakPolarHBondContact O-CA 3.3Å; V226-V249 HydrophobicContact CG1-CG2 4.25Å; V226-V249 HydrophobicContact CG2-CG1 4.08Å; V226-V249 HydrophobicContact CG2-CG2 4.33Å; H247-V249 HydrophobicContact CB-CG2 3.97Å; V249-L251 HydrophobicContact CG1-CD2 3.55Å; V249-L251 HydrophobicContact CG1-CG 4.04Å; V249-L306 HydrophobicContact CG2-CD2 4.28Å
250	D	95	Very high	84.5	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	103.7	170.4	-170.8	29	0	0	0	108	K103 T104 I107 R209 H224 C225	K103-D250 VanDerWaalsContact C-OD1 3.22Å; K103-D250 WeakPolarHBondContact CB-OD1 3.47Å; T104-D250 WeakPolarHBondContact CA-OD1 3.24Å; T104-D250 VanDerWaalsContact CA-OD2 3.3Å; T104-D250 WeakPolarHBondContact CA-OD2 3.26Å; T104-D250 WeakPolarHBondContact CB-OD2 3.08Å; T104-D250 VanDerWaalsContact CG2-OD2 3.3Å; T104-D250 WeakPolarHBondContact CG2-OD2 3.28Å; T104-D250 PolarHBondContact N-OD1 2.86Å; T104-D250 PolarHBondContact OG1-OD1 3.02Å; T104-D250 PolarHBondContact OG1-OD2 3.34Å; I107-D250 HydrophobicContact CB-CB 4.15Å; I107-D250 HydrophobicContact CG1-CB 4.23Å; I107-D250 HydrophobicContact CG2-CB 4.08Å; R209-D250 IonicContact NH1-OD2 3.58Å; R209-D250 PolarHBondContact NH1-OD2 3.13Å; H224-D250 CarbonylContact C-O 3.18Å; H224-D250 WeakPolarHBondContact CA-O 3.45Å; C225-D250 HydrophobicContact CB-CB 4.3Å; C225-D250 PolarHBondContact N-O 2.85Å; C225-D250 PolarHBondContact O-N 2.96Å
251	L	93.4	Very high	83.1	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-79.5	165.4	-179.1	-61.8	176.2	0	0	0	111.5	F94 A95 Y96 K103 H224 V249 L280 L302	F94-L251 HydrophobicContact CD2-CD1 3.78Å; F94-L251 HydrophobicContact CE2-CD1 4.43Å; A95-L251 WeakPolarHBondContact O-CB 3.43Å; A95-L251 WeakPolarHBondContact O-CG 3.25Å; Y96-L251 HydrophobicContact CD2-CD1 3.86Å; K103-L251 WeakPolarHBondContact CE-O 3.39Å; H224-L251 HydrophobicContact CB-CD2 4.26Å; H224-L251 WeakPolarHBondContact ND1-CA 3.45Å; H224-L251 WeakPolarHBondContact ND1-CD2 3.49Å; V249-L251 HydrophobicContact CG1-CD2 3.55Å; V249-L251 HydrophobicContact CG1-CG 4.04Å; L251-L280 HydrophobicContact CD1-CD2 3.99Å; L251-L302 HydrophobicContact CD2-CD1 3.78Å; L251-L302 HydrophobicContact CD2-CD2 4.02Å
252	A	89.9	Confident	81.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-65.4	169.3	171.5	0	0	0	0	0	113.1	K103 R222 S223 H224 S254 I273	K103-A252 WeakPolarHBondContact CE-O 3.49Å; K103-A252 PolarHBondContact NZ-O 3.23Å; R222-A252 WeakPolarHBondContact O-CB 3.41Å; S223-A252 WeakPolarHBondContact O-CA 3.35Å; S223-A252 WeakPolarHBondContact O-CB 3.43Å; S223-A252 PolarHBondContact O-N 2.56Å; H224-A252 WeakPolarHBondContact CE1-CB 3.44Å; H224-A252 PolarHBondContact CE1-N 3.46Å; H224-A252 PolarHBondContact ND1-N 3.04Å; A252-S254 PolarHBondContact O-N 3Å; A252-I273 HydrophobicContact CB-CG2 3.75Å
253	G	87.8	Confident	79.8	Confident	6 Å²	6	45.6 Å²	45.6	6%	0.062	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-60.4	127.9	170.9	0	0	0	0	0	113.4	T221 D255	T221-G253 PolarHBondContact O-N 3Å; G253-D255 PolarHBondContact O-N 2.94Å
254	S	85.7	Confident	78.6	Confident	16 Å²	16	43.3 Å²	43.3	11%	0.112	26%	0.257	C	S	.	.			trans	-82.3	21.2	175.3	70.3	0	0	0	0	114.2	G97 Q98 A252	G97-S254 PolarHBondContact O-N 2.87Å; G97-S254 PolarHBondContact O-OG 3.31Å; Q98-S254 PolarHBondContact N-OG 3.5Å; A252-S254 PolarHBondContact O-N 3Å
255	D	78.3	Confident	76.8	Confident	34 Å²	34	50.5 Å²	50.5	18%	0.182	29%	0.29	C	S	.	.			trans	-78.1	141.1	-174.3	-60.9	-93	0	0	0	112.7	Q98 T99 G253 V257 N274	Q98-D255 WeakPolarHBondContact CB-OD1 3.35Å; Q98-D255 PolarHBondContact NE2-OD1 3.22Å; T99-D255 WeakPolarHBondContact CB-OD2 3.42Å; T99-D255 PolarHBondContact N-OD2 2.84Å; T99-D255 PolarHBondContact OG1-OD2 3.19Å; G253-D255 PolarHBondContact O-N 2.94Å; D255-V257 PolarHBondContact O-N 2.97Å; D255-N274 PolarHBondContact O-ND2 3.28Å; D255-N274 PolarHBondContact O-OD1 3.31Å
256	R	67.5	Low	75.2	Confident	148 Å²	148	50.5 Å²	50.5	56%	0.558	29%	0.292	S	S	*	.			trans	-70	119.8	174.1	-59.9	-177.9	-176.9	-142.8	-3	111.2	S258 K259	R256-S258 PolarHBondContact O-N 3.18Å; R256-K259 PolarHBondContact O-N 3.44Å
257	V	63.2	Low	73.6	Confident	32 Å²	32	54.3 Å²	54.3	19%	0.194	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-49.4	-32.7	175.8	-168.2	0	0	0	0	113.3	D255 K259 T260 L267 A270 N274	D255-V257 PolarHBondContact O-N 2.97Å; V257-K259 PolarHBondContact O-N 3.42Å; V257-K259 VanDerWaalsContact O-N 3.13Å; V257-T260 PolarHBondContact O-N 2.88Å; V257-T260 PolarHBondContact O-OG1 3.47Å; V257-L267 HydrophobicContact CG1-CD1 3.64Å; V257-A270 HydrophobicContact CB-CB 4.37Å; V257-A270 HydrophobicContact CG1-CB 3.61Å; V257-A270 HydrophobicContact CG2-CB 3.84Å; V257-N274 VanDerWaalsContact CG2-ND2 3.27Å; V257-N274 WeakPolarHBondContact CG2-ND2 3.26Å
258	S	56.6	Low	71.9	Confident	109 Å²	109	57.7 Å²	57.7	76%	0.762	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.8	177.9	62.9	0	0	0	0	114.6	R256	R256-S258 PolarHBondContact O-N 3.18Å
259	K	54.2	Low	70.1	Confident	112 Å²	112	58.4 Å²	58.4	49%	0.487	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-89.9	-11.8	175	-75	-176.8	170.7	177.4	0	113.3	R256 V257 D330 E331	R256-K259 PolarHBondContact O-N 3.44Å; V257-K259 PolarHBondContact O-N 3.42Å; V257-K259 VanDerWaalsContact O-N 3.13Å; K259-D330 IonicContact NZ-OD2 2.7Å; K259-D330 PolarHBondContact NZ-OD2 3.16Å; K259-E331 WeakPolarHBondContact CD-OE1 3.04Å; K259-E331 WeakPolarHBondContact CE-OE1 3.49Å; K259-E331 IonicContact NZ-OE1 2.81Å; K259-E331 PolarHBondContact NZ-OE1 3.43Å
260	T	55.7	Low	68.4	Low	65 Å²	65	58.8 Å²	58.8	40%	0.399	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-10.6	-168.9	62.6	0	0	0	0	114.8	V257 L262	V257-T260 PolarHBondContact O-N 2.88Å; V257-T260 PolarHBondContact O-OG1 3.47Å; T260-L262 VanDerWaalsContact C-N 3.3Å; T260-L262 PolarHBondContact O-N 3.08Å; T260-L262 WeakPolarHBondContact OG1-CD1 3.49Å; T260-L262 WeakPolarHBondContact OG1-CG 3.45Å
261	G	56.4	Low	67	Low	74 Å²	74	65.8 Å²	65.8	76%	0.763	37%	0.37	S	S	*	.			trans	59.6	35.1	174.6	0	0	0	0	0	114.6
262	L	58.8	Low	65.5	Low	42 Å²	42	70.4 Å²	70.4	22%	0.22	39%	0.389	C	S	.	.			trans	-96.4	128.1	-174.9	-61.6	174.2	0	0	0	111.1	T260 L266 A270	T260-L262 VanDerWaalsContact C-N 3.3Å; T260-L262 PolarHBondContact O-N 3.08Å; T260-L262 WeakPolarHBondContact OG1-CD1 3.49Å; T260-L262 WeakPolarHBondContact OG1-CG 3.45Å; L262-L266 HydrophobicContact CB-CB 4.13Å; L262-L266 HydrophobicContact CD1-CB 4.34Å; L262-L266 HydrophobicContact CD2-CB 4.42Å; L262-L266 HydrophobicContact CD2-CD1 4.27Å; L262-A270 HydrophobicContact CD1-CB 4.48Å
263	D	56	Low	64.1	Low	141 Å²	141	70.9 Å²	70.9	75%	0.754	39%	0.391	S	S	*	.			trans	-103.6	163.3	172.6	-83.4	-44.1	0	0	0	112.6
264	G	68.9	Low	63.2	Low	53 Å²	53	73 Å²	73	55%	0.546	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	-137.5	169.6	0	0	0	0	0	114.6	L266 L267 T268	G264-L266 VanDerWaalsContact C-N 3.26Å; G264-L266 PolarHBondContact O-N 2.88Å; G264-L267 WeakPolarHBondContact O-CB 3.47Å; G264-L267 PolarHBondContact O-N 3.38Å; G264-L267 VanDerWaalsContact O-N 3.12Å; G264-T268 PolarHBondContact O-N 3.33Å
265	Q	58.6	Low	63.1	Low	159 Å²	159	74.6 Å²	74.6	74%	0.743	41%	0.408	S	S	*	.	H	α-helix	trans	-60.9	-34.7	-175.5	-72	177.4	-22.7	0	0	112.8	L267 T268 E269	Q265-L267 PolarHBondContact O-N 2.78Å; Q265-T268 WeakPolarHBondContact O-CB 3.48Å; Q265-T268 PolarHBondContact O-N 3.12Å; Q265-T268 VanDerWaalsContact O-N 3.14Å; Q265-E269 PolarHBondContact O-N 3.02Å
266	L	61.5	Low	63.6	Low	51 Å²	51	73.1 Å²	73.1	27%	0.267	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-28.8	177.8	-64.5	168.8	0	0	0	112.4	L262 G264 A270	L262-L266 HydrophobicContact CB-CB 4.13Å; L262-L266 HydrophobicContact CD1-CB 4.34Å; L262-L266 HydrophobicContact CD2-CB 4.42Å; L262-L266 HydrophobicContact CD2-CD1 4.27Å; G264-L266 VanDerWaalsContact C-N 3.26Å; G264-L266 PolarHBondContact O-N 2.88Å; L266-A270 WeakPolarHBondContact O-CB 3.35Å; L266-A270 PolarHBondContact O-N 2.67Å
267	L	65.1	Low	64.6	Low	81 Å²	81	66.5 Å²	66.5	42%	0.424	38%	0.376	S	S	.	.	H	α-helix	trans	-71.7	-41.6	173.9	-175	67.1	0	0	0	111.5	V257 G264 Q265 A270 K271	V257-L267 HydrophobicContact CG1-CD1 3.64Å; G264-L267 WeakPolarHBondContact O-CB 3.47Å; G264-L267 PolarHBondContact O-N 3.38Å; G264-L267 VanDerWaalsContact O-N 3.12Å; Q265-L267 PolarHBondContact O-N 2.78Å; L267-A270 PolarHBondContact O-N 2.71Å; L267-K271 WeakPolarHBondContact O-CB 3.28Å; L267-K271 PolarHBondContact O-N 3.21Å
268	T	62.7	Low	65.8	Low	81 Å²	81	69.1 Å²	69.1	50%	0.497	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-43.5	175.6	-60	0	0	0	0	111.1	G264 Q265 K271 Y272	G264-T268 PolarHBondContact O-N 3.33Å; Q265-T268 WeakPolarHBondContact O-CB 3.48Å; Q265-T268 PolarHBondContact O-N 3.12Å; Q265-T268 VanDerWaalsContact O-N 3.14Å; T268-K271 WeakPolarHBondContact O-CB 3.46Å; T268-K271 PolarHBondContact O-N 2.91Å; T268-Y272 HydrophobicContact CG2-CD2 4.16Å; T268-Y272 HydrophobicContact CG2-CE2 3.83Å; T268-Y272 VanDerWaalsContact O-CD2 3.23Å; T268-Y272 WeakPolarHBondContact O-CD2 3.29Å; T268-Y272 PolarHBondContact O-N 2.92Å
269	E	60.3	Low	67.5	Low	15 Å²	15	66.9 Å²	66.9	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-52.5	174.2	-164	-159.6	139.4	0	0	111	Y149 R222 Q265 K271 Y272 I273	Y149-E269 HydrophobicContact CE2-CG 4.27Å; Y149-E269 WeakPolarHBondContact OH-CG 3.17Å; Y149-E269 PolarHBondContact OH-OE1 2.84Å; R222-E269 WeakPolarHBondContact CD-OE1 3.47Å; R222-E269 IonicContact CZ-OE1 2.68Å; R222-E269 IonicContact NE-OE1 3.72Å; R222-E269 IonicContact NH1-OE1 2.73Å; R222-E269 PolarHBondContact NH1-OE1 2.95Å; R222-E269 IonicContact NH1-OE2 3.58Å; R222-E269 PolarHBondContact NH1-OE2 2.84Å; Q265-E269 PolarHBondContact O-N 3.02Å; E269-K271 PolarHBondContact O-N 3.33Å; E269-K271 VanDerWaalsContact O-N 3.13Å; E269-Y272 PolarHBondContact O-N 2.85Å; E269-I273 HydrophobicContact CG-CD1 3.95Å; E269-I273 VanDerWaalsContact O-CD1 3.31Å; E269-I273 WeakPolarHBondContact O-CD1 3.49Å; E269-I273 VanDerWaalsContact O-CG1 3.29Å; E269-I273 WeakPolarHBondContact O-CG1 3.3Å; E269-I273 PolarHBondContact O-N 3.35Å
270	A	60.8	Low	69.3	Low	8 Å²	8	61.6 Å²	61.6	7%	0.066	34%	0.338	C	S	.	.	H	α-helix	trans	-56.2	-31.2	177.5	0	0	0	0	0	113.5	V257 L262 L266 L267 N274	V257-A270 HydrophobicContact CB-CB 4.37Å; V257-A270 HydrophobicContact CG1-CB 3.61Å; V257-A270 HydrophobicContact CG2-CB 3.84Å; L262-A270 HydrophobicContact CD1-CB 4.48Å; L266-A270 WeakPolarHBondContact O-CB 3.35Å; L266-A270 PolarHBondContact O-N 2.67Å; L267-A270 PolarHBondContact O-N 2.71Å; A270-N274 WeakPolarHBondContact O-CB 3.48Å; A270-N274 PolarHBondContact O-N 3.39Å; A270-N274 PolarHBondContact O-ND2 3.43Å
271	K	65.1	Low	71.1	Confident	151 Å²	151	61.1 Å²	61.1	66%	0.657	33%	0.331	S	S	*	.	H	α-helix	trans	-67.7	-45.7	172.8	-176.3	-174	177.5	-174.6	0	112.5	L267 T268 E269 N274 L275	L267-K271 WeakPolarHBondContact O-CB 3.28Å; L267-K271 PolarHBondContact O-N 3.21Å; T268-K271 WeakPolarHBondContact O-CB 3.46Å; T268-K271 PolarHBondContact O-N 2.91Å; E269-K271 PolarHBondContact O-N 3.33Å; E269-K271 VanDerWaalsContact O-N 3.13Å; K271-N274 PolarHBondContact O-N 2.88Å; K271-L275 WeakPolarHBondContact O-CB 3.36Å; K271-L275 PolarHBondContact O-N 3.25Å
272	Y	62	Low	72.8	Confident	101 Å²	101	60.4 Å²	60.4	40%	0.396	31%	0.308	S	S	.	.	H	α-helix	trans	-70.5	-33.5	178.8	-76.4	-70	0	0	0	113	N150 T268 E269 L275 S276	N150-Y272 WeakPolarHBondContact OD1-CB 3.45Å; N150-Y272 WeakPolarHBondContact OD1-CD2 3.47Å; T268-Y272 HydrophobicContact CG2-CD2 4.16Å; T268-Y272 HydrophobicContact CG2-CE2 3.83Å; T268-Y272 VanDerWaalsContact O-CD2 3.23Å; T268-Y272 WeakPolarHBondContact O-CD2 3.29Å; T268-Y272 PolarHBondContact O-N 2.92Å; E269-Y272 PolarHBondContact O-N 2.85Å; Y272-L275 HydrophobicContact CD1-CD2 3.89Å; Y272-L275 HydrophobicContact CE1-CD2 4.28Å; Y272-L275 VanDerWaalsContact O-CB 3.29Å; Y272-L275 WeakPolarHBondContact O-CB 3.5Å; Y272-L275 PolarHBondContact O-N 2.83Å; Y272-L275 VanDerWaalsContact O-N 3.15Å; Y272-S276 PolarHBondContact O-N 3.23Å
273	I	61.3	Low	74.5	Confident	9 Å²	9	58.4 Å²	58.4	5%	0.046	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-48.3	173.8	-62.2	155	0	0	0	109.8	R222 A252 E269 L275 S276	R222-I273 HydrophobicContact CB-CD1 3.43Å; R222-I273 VanDerWaalsContact CB-CD1 3.43Å; R222-I273 HydrophobicContact CB-CG1 4.06Å; R222-I273 HydrophobicContact CG-CD1 3.56Å; R222-I273 WeakPolarHBondContact O-CG1 3.26Å; R222-I273 WeakPolarHBondContact O-CG2 3.24Å; A252-I273 HydrophobicContact CB-CG2 3.75Å; E269-I273 HydrophobicContact CG-CD1 3.95Å; E269-I273 VanDerWaalsContact O-CD1 3.31Å; E269-I273 WeakPolarHBondContact O-CD1 3.49Å; E269-I273 VanDerWaalsContact O-CG1 3.29Å; E269-I273 WeakPolarHBondContact O-CG1 3.3Å; E269-I273 PolarHBondContact O-N 3.35Å; I273-L275 VanDerWaalsContact C-N 3.27Å; I273-L275 PolarHBondContact O-N 3.04Å; I273-S276 PolarHBondContact O-N 3.21Å; I273-S276 PolarHBondContact O-OG 3.34Å
274	N	69.4	Low	76.3	Confident	50 Å²	50	51.7 Å²	51.7	27%	0.267	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-24.8	174.2	-84	-90.7	0	0	0	113.2	D255 V257 A270 K271 H278	D255-N274 PolarHBondContact O-ND2 3.28Å; D255-N274 PolarHBondContact O-OD1 3.31Å; V257-N274 VanDerWaalsContact CG2-ND2 3.27Å; V257-N274 WeakPolarHBondContact CG2-ND2 3.26Å; A270-N274 WeakPolarHBondContact O-CB 3.48Å; A270-N274 PolarHBondContact O-N 3.39Å; A270-N274 PolarHBondContact O-ND2 3.43Å; K271-N274 PolarHBondContact O-N 2.88Å; N274-H278 WeakPolarHBondContact O-CB 3.45Å; N274-H278 PolarHBondContact O-N 3.35Å
275	L	83.3	Confident	77.3	Confident	50 Å²	50	51.2 Å²	51.2	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-47.3	175.7	-171.9	65.9	0	0	0	111.5	K271 Y272 I273 L277 H278 Y279	K271-L275 WeakPolarHBondContact O-CB 3.36Å; K271-L275 PolarHBondContact O-N 3.25Å; Y272-L275 HydrophobicContact CD1-CD2 3.89Å; Y272-L275 HydrophobicContact CE1-CD2 4.28Å; Y272-L275 VanDerWaalsContact O-CB 3.29Å; Y272-L275 WeakPolarHBondContact O-CB 3.5Å; Y272-L275 PolarHBondContact O-N 2.83Å; Y272-L275 VanDerWaalsContact O-N 3.15Å; I273-L275 VanDerWaalsContact C-N 3.27Å; I273-L275 PolarHBondContact O-N 3.04Å; L275-L277 PolarHBondContact O-N 3.08Å; L275-H278 PolarHBondContact O-N 3.09Å; L275-Y279 HydrophobicContact CD1-CD2 4.16Å; L275-Y279 HydrophobicContact CD1-CE1 4.44Å; L275-Y279 HydrophobicContact CD1-CE2 3.52Å; L275-Y279 HydrophobicContact CD2-CE2 3.97Å; L275-Y279 HydrophobicContact CG-CD2 3.9Å; L275-Y279 HydrophobicContact CG-CE2 3.46Å; L275-Y279 VanDerWaalsContact CG-CE2 3.46Å; L275-Y279 WeakPolarHBondContact O-CD2 3.26Å; L275-Y279 PolarHBondContact O-N 3.36Å
276	S	87.5	Confident	78.9	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-43.6	178.2	66.4	0	0	0	0	112.9	E151 H224 Y272 I273 L280	E151-S276 WeakPolarHBondContact OE1-CA 3.06Å; E151-S276 WeakPolarHBondContact OE1-CB 3.29Å; E151-S276 PolarHBondContact OE1-N 2.94Å; H224-S276 PolarHBondContact NE2-OG 3.14Å; Y272-S276 PolarHBondContact O-N 3.23Å; I273-S276 PolarHBondContact O-N 3.21Å; I273-S276 PolarHBondContact O-OG 3.34Å; S276-L280 PolarHBondContact O-N 2.81Å; S276-L280 VanDerWaalsContact O-N 3.08Å
277	L	88.2	Confident	80.4	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-73.1	-32.4	176.1	-70.5	-177.5	0	0	0	112.9	Y96 L275 L280 E281 L302	Y96-L277 HydrophobicContact CD2-CD2 4.49Å; Y96-L277 HydrophobicContact CE2-CD2 4.14Å; L275-L277 PolarHBondContact O-N 3.08Å; L277-L280 HydrophobicContact CD2-CD2 4.05Å; L277-L280 WeakPolarHBondContact O-CB 3.29Å; L277-L280 PolarHBondContact O-N 2.68Å; L277-E281 PolarHBondContact O-N 2.87Å; L277-L302 HydrophobicContact CD2-CD2 4.36Å
278	H	88.5	Confident	81.4	Confident	87 Å²	87	41.5 Å²	41.5	40%	0.403	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-42.7	173.4	175.4	69.3	0	0	0	111	N274 L275 E281 Q282	N274-H278 WeakPolarHBondContact O-CB 3.45Å; N274-H278 PolarHBondContact O-N 3.35Å; L275-H278 PolarHBondContact O-N 3.09Å; H278-E281 WeakPolarHBondContact O-CB 3.27Å; H278-E281 PolarHBondContact O-N 2.91Å; H278-Q282 WeakPolarHBondContact O-CG 3.46Å; H278-Q282 PolarHBondContact O-N 2.73Å
279	Y	92.6	Very high	82.6	Confident	61 Å²	61	41.7 Å²	41.7	24%	0.239	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-35.9	174.2	-69.1	-44.4	0	0	0	112.5	L275 E281 Q282 V283 N299	L275-Y279 HydrophobicContact CD1-CD2 4.16Å; L275-Y279 HydrophobicContact CD1-CE1 4.44Å; L275-Y279 HydrophobicContact CD1-CE2 3.52Å; L275-Y279 HydrophobicContact CD2-CE2 3.97Å; L275-Y279 HydrophobicContact CG-CD2 3.9Å; L275-Y279 HydrophobicContact CG-CE2 3.46Å; L275-Y279 VanDerWaalsContact CG-CE2 3.46Å; L275-Y279 WeakPolarHBondContact O-CD2 3.26Å; L275-Y279 PolarHBondContact O-N 3.36Å; Y279-E281 VanDerWaalsContact C-N 3.34Å; Y279-E281 PolarHBondContact O-N 3.37Å; Y279-Q282 PolarHBondContact O-N 3.2Å; Y279-V283 WeakPolarHBondContact O-CG2 3.47Å; Y279-V283 PolarHBondContact O-N 3.09Å; Y279-N299 HydrophobicContact CD1-CB 3.56Å; Y279-N299 WeakPolarHBondContact CD1-ND2 3.13Å; Y279-N299 HydrophobicContact CD2-CB 3.81Å; Y279-N299 WeakPolarHBondContact CD2-O 3.49Å; Y279-N299 HydrophobicContact CE1-CB 3.8Å; Y279-N299 VanDerWaalsContact CE1-ND2 3.33Å; Y279-N299 WeakPolarHBondContact CE1-ND2 3.35Å; Y279-N299 HydrophobicContact CE2-CB 3.98Å; Y279-N299 VanDerWaalsContact CE2-O 3.24Å; Y279-N299 WeakPolarHBondContact CE2-O 3.45Å; Y279-N299 HydrophobicContact CG-CB 3.57Å
280	L	93.3	Very high	83.2	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-44.8	168.7	178.8	64.3	0	0	0	111.6	L251 S276 L277 V283 I284 L302 T303 L310 F338	L251-L280 HydrophobicContact CD1-CD2 3.99Å; S276-L280 PolarHBondContact O-N 2.81Å; S276-L280 VanDerWaalsContact O-N 3.08Å; L277-L280 HydrophobicContact CD2-CD2 4.05Å; L277-L280 WeakPolarHBondContact O-CB 3.29Å; L277-L280 PolarHBondContact O-N 2.68Å; L280-V283 PolarHBondContact O-N 3.23Å; L280-I284 HydrophobicContact CD1-CD1 4.1Å; L280-I284 HydrophobicContact CG-CD1 3.94Å; L280-I284 WeakPolarHBondContact O-CD1 3.48Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 2.91Å; L280-L302 HydrophobicContact CB-CD2 4.49Å; L280-L302 HydrophobicContact CD2-CD2 4.26Å; L280-T303 VanDerWaalsContact CA-CG2 3.47Å; L280-T303 HydrophobicContact CB-CG2 4.07Å; L280-T303 HydrophobicContact CD1-CG2 4.3Å; L280-L310 HydrophobicContact CD1-CD1 3.45Å; L280-L310 VanDerWaalsContact CD1-CD1 3.45Å; L280-F338 HydrophobicContact CD2-CZ 4.23Å; L280-F338 HydrophobicContact CG-CZ 4.31Å
281	E	91.7	Very high	84	Confident	54 Å²	54	58.2 Å²	58.2	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-41.1	174	-179.6	164.4	-127.6	0	0	112.9	L277 H278 Y279 V283 I284 I285 F338 R341	L277-E281 PolarHBondContact O-N 2.87Å; H278-E281 WeakPolarHBondContact O-CB 3.27Å; H278-E281 PolarHBondContact O-N 2.91Å; Y279-E281 VanDerWaalsContact C-N 3.34Å; Y279-E281 PolarHBondContact O-N 3.37Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 2.8Å; E281-I284 PolarHBondContact O-N 2.65Å; E281-I285 HydrophobicContact CG-CD1 3.77Å; E281-I285 HydrophobicContact CG-CG1 4.31Å; E281-I285 VanDerWaalsContact O-CG1 3.31Å; E281-I285 WeakPolarHBondContact O-CG1 3.44Å; E281-I285 PolarHBondContact O-N 2.8Å; E281-F338 HydrophobicContact CB-CE2 4Å; E281-F338 HydrophobicContact CG-CD2 4.47Å; E281-F338 HydrophobicContact CG-CE2 4.37Å; E281-R341 IonicContact OE1-CZ 3.19Å; E281-R341 IonicContact OE1-NE 2.71Å; E281-R341 IonicContact OE1-NH2 2.81Å; E281-R341 PolarHBondContact OE1-NH2 2.75Å
282	Q	92.5	Very high	84.9	Confident	59 Å²	59	55.5 Å²	55.5	28%	0.276	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-37.8	175.8	-69.4	-56.9	-62.1	0	0	112.3	H278 Y279 A286 P296	H278-Q282 WeakPolarHBondContact O-CG 3.46Å; H278-Q282 PolarHBondContact O-N 2.73Å; Y279-Q282 PolarHBondContact O-N 3.2Å; Q282-A286 WeakPolarHBondContact O-CB 3.47Å; Q282-A286 PolarHBondContact O-N 3.47Å; Q282-P296 HydrophobicContact CB-CG 4.42Å
283	V	94.9	Very high	86	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-45.5	172.3	163.9	0	0	0	0	111	Y279 L280 E281 A286 L287 I295 P296 Y297 T303 L310	Y279-V283 WeakPolarHBondContact O-CG2 3.47Å; Y279-V283 PolarHBondContact O-N 3.09Å; L280-V283 PolarHBondContact O-N 3.23Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 2.8Å; V283-A286 PolarHBondContact O-N 2.84Å; V283-L287 HydrophobicContact CG1-CD1 3.77Å; V283-L287 HydrophobicContact CG1-CG 4.5Å; V283-L287 WeakPolarHBondContact O-CB 3.21Å; V283-L287 WeakPolarHBondContact O-CG 3.27Å; V283-L287 PolarHBondContact O-N 2.77Å; V283-I295 HydrophobicContact CB-CG2 4.34Å; V283-I295 HydrophobicContact CG1-CG2 3.88Å; V283-I295 HydrophobicContact CG2-CG2 4.2Å; V283-P296 HydrophobicContact CG2-CG 3.99Å; V283-Y297 HydrophobicContact CG1-CD1 3.9Å; V283-Y297 HydrophobicContact CG1-CE1 3.58Å; V283-Y297 HydrophobicContact CG2-CD1 4.18Å; V283-T303 HydrophobicContact CB-CG2 4.29Å; V283-T303 HydrophobicContact CG2-CG2 3.83Å; V283-L310 HydrophobicContact CG1-CB 4.45Å; V283-L310 HydrophobicContact CG1-CD1 4.23Å
284	I	93.2	Very high	87.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-42.9	178.8	-73.2	158.4	0	0	0	112.1	L280 E281 L287 S288 F338 R341 V342 I345	L280-I284 HydrophobicContact CD1-CD1 4.1Å; L280-I284 HydrophobicContact CG-CD1 3.94Å; L280-I284 WeakPolarHBondContact O-CD1 3.48Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 2.91Å; E281-I284 PolarHBondContact O-N 2.65Å; I284-L287 PolarHBondContact O-N 2.81Å; I284-S288 PolarHBondContact O-N 3.3Å; I284-S288 VanDerWaalsContact O-N 3.14Å; I284-F338 HydrophobicContact CD1-CE1 3.94Å; I284-F338 HydrophobicContact CD1-CE2 3.61Å; I284-F338 HydrophobicContact CD1-CZ 3.21Å; I284-R341 HydrophobicContact CG2-CB 3.81Å; I284-V342 HydrophobicContact CD1-CG2 3.65Å; I284-V342 HydrophobicContact CG1-CG2 4.13Å; I284-V342 HydrophobicContact CG2-CG2 4.05Å; I284-I345 HydrophobicContact CB-CD1 4.15Å; I284-I345 HydrophobicContact CG1-CD1 3.82Å; I284-I345 HydrophobicContact CG2-CD1 4.1Å
285	I	90.6	Very high	88.4	Confident	43 Å²	43	61.7 Å²	61.7	22%	0.221	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-50.5	174.4	-69.6	167	0	0	0	109.5	E281 L287 S288 E289	E281-I285 HydrophobicContact CG-CD1 3.77Å; E281-I285 HydrophobicContact CG-CG1 4.31Å; E281-I285 VanDerWaalsContact O-CG1 3.31Å; E281-I285 WeakPolarHBondContact O-CG1 3.44Å; E281-I285 PolarHBondContact O-N 2.8Å; I285-L287 VanDerWaalsContact C-N 3.28Å; I285-L287 PolarHBondContact O-N 3.45Å; I285-S288 PolarHBondContact O-N 2.96Å; I285-S288 PolarHBondContact O-OG 2.92Å; I285-E289 WeakPolarHBondContact CG2-OE1 3.42Å; I285-E289 WeakPolarHBondContact O-CG 3.48Å; I285-E289 PolarHBondContact O-N 3.4Å
286	A	92.8	Very high	88.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-59.8	-35.3	-179.8	0	0	0	0	0	113.4	Q282 V283 E289 R292 I295	Q282-A286 WeakPolarHBondContact O-CB 3.47Å; Q282-A286 PolarHBondContact O-N 3.47Å; V283-A286 PolarHBondContact O-N 2.84Å; A286-E289 PolarHBondContact O-N 3.13Å; A286-R292 HydrophobicContact CB-CG 4.42Å; A286-I295 HydrophobicContact CB-CD1 3.71Å; A286-I295 HydrophobicContact CB-CG2 4.42Å; A286-I295 WeakPolarHBondContact O-CD1 3.48Å
287	L	91.8	Very high	89.1	Confident	43 Å²	43	61.2 Å²	61.2	23%	0.225	30%	0.303	C	S	.	.	H	α-helix	trans	-74.6	-22	175.5	-75.2	168.1	0	0	0	113.8	V283 I284 I285 I295 L310 I345	V283-L287 HydrophobicContact CG1-CD1 3.77Å; V283-L287 HydrophobicContact CG1-CG 4.5Å; V283-L287 WeakPolarHBondContact O-CB 3.21Å; V283-L287 WeakPolarHBondContact O-CG 3.27Å; V283-L287 PolarHBondContact O-N 2.77Å; I284-L287 PolarHBondContact O-N 2.81Å; I285-L287 VanDerWaalsContact C-N 3.28Å; I285-L287 PolarHBondContact O-N 3.45Å; L287-I295 HydrophobicContact CD1-CG2 4.45Å; L287-I295 HydrophobicContact CD2-CD1 4.01Å; L287-I295 HydrophobicContact CD2-CG1 3.96Å; L287-I295 HydrophobicContact CD2-CG2 4.28Å; L287-I295 HydrophobicContact CG-CD1 4.21Å; L287-I295 HydrophobicContact CG-CG1 4.42Å; L287-I295 HydrophobicContact CG-CG2 4Å; L287-L310 HydrophobicContact CD1-CB 3.85Å; L287-L310 WeakPolarHBondContact CD1-O 3.26Å; L287-I345 HydrophobicContact CB-CD1 4.1Å; L287-I345 HydrophobicContact CB-CG1 3.93Å; L287-I345 HydrophobicContact CB-CG2 4.29Å; L287-I345 HydrophobicContact CD1-CD1 4.05Å; L287-I345 HydrophobicContact CD1-CG2 4.15Å
288	S	86.3	Confident	89.3	Confident	43 Å²	43	68.8 Å²	68.8	30%	0.301	33%	0.331	S	S	.	.	H	α-helix	trans	-81.8	-18.4	173	74.8	0	0	0	0	113.2	I284 I285 K290	I284-S288 PolarHBondContact O-N 3.3Å; I284-S288 VanDerWaalsContact O-N 3.14Å; I285-S288 PolarHBondContact O-N 2.96Å; I285-S288 PolarHBondContact O-OG 2.92Å; S288-K290 PolarHBondContact O-N 3.35Å
289	E	87.6	Confident	89.4	Confident	85 Å²	85	68.2 Å²	68.2	40%	0.397	33%	0.331	S	S	.	.	S	Bend	trans	-82.5	100.4	179.1	-72.2	170.2	179.7	0	0	111.2	I285 A286 N291 R292	I285-E289 WeakPolarHBondContact CG2-OE1 3.42Å; I285-E289 WeakPolarHBondContact O-CG 3.48Å; I285-E289 PolarHBondContact O-N 3.4Å; A286-E289 PolarHBondContact O-N 3.13Å; E289-N291 PolarHBondContact O-N 3.4Å; E289-R292 HydrophobicContact CB-CB 4.04Å; E289-R292 PolarHBondContact O-N 2.95Å; E289-R292 VanDerWaalsContact O-N 3.1Å; E289-R292 IonicContact OE1-NH1 3.71Å; E289-R292 WeakPolarHBondContact OE2-CD 3.31Å; E289-R292 IonicContact OE2-CZ 3.55Å; E289-R292 IonicContact OE2-NE 2.79Å; E289-R292 IonicContact OE2-NH1 2.71Å; E289-R292 PolarHBondContact OE2-NH1 3.43Å
290	K	74.4	Confident	89.4	Confident	207 Å²	207	65.6 Å²	65.6	90%	0.9	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-19.6	-172.8	-64.6	-176.4	-178.7	177.6	0	117.1	S288	S288-K290 PolarHBondContact O-N 3.35Å
291	N	76.8	Confident	89.3	Confident	163 Å²	163	66.2 Å²	66.2	87%	0.872	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	12	-172.7	-64.1	1.8	0	0	0	113.4	E289	E289-N291 PolarHBondContact O-N 3.4Å
292	R	85.3	Confident	89.4	Confident	95 Å²	95	63.7 Å²	63.7	36%	0.358	31%	0.313	S	S	.	.			trans	-94.1	112.9	-174.5	-173.6	152.6	174.4	173.4	-0.9	112.4	A286 E289 H294 I295	A286-R292 HydrophobicContact CB-CG 4.42Å; E289-R292 HydrophobicContact CB-CB 4.04Å; E289-R292 PolarHBondContact O-N 2.95Å; E289-R292 VanDerWaalsContact O-N 3.1Å; E289-R292 IonicContact OE1-NH1 3.71Å; E289-R292 WeakPolarHBondContact OE2-CD 3.31Å; E289-R292 IonicContact OE2-CZ 3.55Å; E289-R292 IonicContact OE2-NE 2.79Å; E289-R292 IonicContact OE2-NH1 2.71Å; E289-R292 PolarHBondContact OE2-NH1 3.43Å; R292-H294 PolarHBondContact NE-O 3.4Å; R292-I295 HydrophobicContact CG-CD1 4.35Å
293	S	83.4	Confident	89.4	Confident	127 Å²	127	60.9 Å²	60.9	89%	0.888	30%	0.3	S	S	*	.			trans	-77.6	-29.4	-179.5	54.2	0	0	0	0	114.6
294	H	89.7	Confident	89.4	Confident	131 Å²	131	61.3 Å²	61.3	61%	0.606	30%	0.303	S	S	*	.			trans	-112.3	114.7	-177.2	-179.7	-89.8	0	0	0	112.4	R292	R292-H294 PolarHBondContact NE-O 3.4Å
295	I	92.8	Very high	89.4	Confident	31 Å²	31	61.8 Å²	61.8	16%	0.159	31%	0.306	C	S	.	.			trans	-103.3	125.1	176.5	-48.1	-58.5	0	0	0	109.2	V283 A286 L287 R292 Y297	V283-I295 HydrophobicContact CB-CG2 4.34Å; V283-I295 HydrophobicContact CG1-CG2 3.88Å; V283-I295 HydrophobicContact CG2-CG2 4.2Å; A286-I295 HydrophobicContact CB-CD1 3.71Å; A286-I295 HydrophobicContact CB-CG2 4.42Å; A286-I295 WeakPolarHBondContact O-CD1 3.48Å; L287-I295 HydrophobicContact CD1-CG2 4.45Å; L287-I295 HydrophobicContact CD2-CD1 4.01Å; L287-I295 HydrophobicContact CD2-CG1 3.96Å; L287-I295 HydrophobicContact CD2-CG2 4.28Å; L287-I295 HydrophobicContact CG-CD1 4.21Å; L287-I295 HydrophobicContact CG-CG1 4.42Å; L287-I295 HydrophobicContact CG-CG2 4Å; R292-I295 HydrophobicContact CG-CD1 4.35Å; I295-Y297 VanDerWaalsContact C-N 3.29Å; I295-Y297 HydrophobicContact CB-CD2 4.08Å; I295-Y297 HydrophobicContact CB-CE2 3.56Å; I295-Y297 HydrophobicContact CG1-CE2 4.37Å; I295-Y297 HydrophobicContact CG2-CD1 4.34Å; I295-Y297 HydrophobicContact CG2-CD2 4.06Å; I295-Y297 HydrophobicContact CG2-CE1 3.85Å; I295-Y297 HydrophobicContact CG2-CE2 3.57Å; I295-Y297 HydrophobicContact CG2-CG 4.42Å; I295-Y297 VanDerWaalsContact CG2-CZ 3.43Å; I295-Y297 PolarHBondContact O-N 2.93Å
296	P	93.2	Very high	89.5	Confident	12 Å²	12	59.9 Å²	59.9	8%	0.078	30%	0.296	C	S	.	.			trans	-84	49.7	-165	34.9	-38.1	0	0	0	114.8	Q282 V283 R298 N299	Q282-P296 HydrophobicContact CB-CG 4.42Å; V283-P296 HydrophobicContact CG2-CG 3.99Å; P296-R298 PolarHBondContact O-N 2.91Å; P296-N299 WeakPolarHBondContact O-CB 3.41Å; P296-N299 PolarHBondContact O-N 3.15Å
297	Y	92.6	Very high	89.5	Confident	33 Å²	33	62.4 Å²	62.4	13%	0.129	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58	-31.6	-177.6	-59	-73.6	0	0	0	114.3	V283 I295 N299 T303 S304 R307 L310	V283-Y297 HydrophobicContact CG1-CD1 3.9Å; V283-Y297 HydrophobicContact CG1-CE1 3.58Å; V283-Y297 HydrophobicContact CG2-CD1 4.18Å; I295-Y297 VanDerWaalsContact C-N 3.29Å; I295-Y297 HydrophobicContact CB-CD2 4.08Å; I295-Y297 HydrophobicContact CB-CE2 3.56Å; I295-Y297 HydrophobicContact CG1-CE2 4.37Å; I295-Y297 HydrophobicContact CG2-CD1 4.34Å; I295-Y297 HydrophobicContact CG2-CD2 4.06Å; I295-Y297 HydrophobicContact CG2-CE1 3.85Å; I295-Y297 HydrophobicContact CG2-CE2 3.57Å; I295-Y297 HydrophobicContact CG2-CG 4.42Å; I295-Y297 VanDerWaalsContact CG2-CZ 3.43Å; I295-Y297 PolarHBondContact O-N 2.93Å; Y297-N299 PolarHBondContact O-N 3.37Å; Y297-T303 WeakPolarHBondContact CD1-O 3.5Å; Y297-T303 CarbonylContact O-C 3.57Å; Y297-T303 WeakPolarHBondContact O-CB 3.32Å; Y297-T303 PolarHBondContact O-OG1 3.28Å; Y297-S304 PolarHBondContact O-N 3.23Å; Y297-S304 VanDerWaalsContact O-N 3.13Å; Y297-S304 PolarHBondContact O-OG 2.83Å; Y297-R307 HydrophobicContact CD1-CB 4.18Å; Y297-R307 HydrophobicContact CD1-CG 4.26Å; Y297-R307 HydrophobicContact CD2-CG 4.02Å; Y297-R307 HydrophobicContact CE1-CG 4.46Å; Y297-R307 HydrophobicContact CE2-CG 4.2Å; Y297-R307 HydrophobicContact CG-CB 4.27Å; Y297-R307 HydrophobicContact CG-CG 4.04Å; Y297-L310 HydrophobicContact CE1-CB 4.48Å; Y297-L310 PolarHBondContact OH-O 3.48Å
298	R	91.4	Very high	89.4	Confident	168 Å²	168	62.7 Å²	62.7	63%	0.634	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-71.4	-3.8	-178.4	-65.7	-175	-179.1	146.6	5.2	114.3	E176 P296	E176-R298 IonicContact OE1-CZ 2.72Å; E176-R298 IonicContact OE1-NE 3.71Å; E176-R298 IonicContact OE1-NH2 3.37Å; E176-R298 PolarHBondContact OE1-NH2 3.19Å; E176-R298 IonicContact OE2-CZ 3.68Å; E176-R298 IonicContact OE2-NE 3.61Å; E176-R298 PolarHBondContact OE2-NE 3.31Å; E176-R298 IonicContact OE2-NH2 2.8Å; E176-R298 PolarHBondContact OE2-NH2 3Å; P296-R298 PolarHBondContact O-N 2.91Å
299	N	90.3	Very high	89.8	Confident	75 Å²	75	60.7 Å²	60.7	40%	0.401	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-76.6	-27.9	-175.2	-74.4	22	0	0	0	114.3	Y279 P296 Y297	Y279-N299 HydrophobicContact CD1-CB 3.56Å; Y279-N299 WeakPolarHBondContact CD1-ND2 3.13Å; Y279-N299 HydrophobicContact CD2-CB 3.81Å; Y279-N299 WeakPolarHBondContact CD2-O 3.49Å; Y279-N299 HydrophobicContact CE1-CB 3.8Å; Y279-N299 VanDerWaalsContact CE1-ND2 3.33Å; Y279-N299 WeakPolarHBondContact CE1-ND2 3.35Å; Y279-N299 HydrophobicContact CE2-CB 3.98Å; Y279-N299 VanDerWaalsContact CE2-O 3.24Å; Y279-N299 WeakPolarHBondContact CE2-O 3.45Å; Y279-N299 HydrophobicContact CG-CB 3.57Å; P296-N299 WeakPolarHBondContact O-CB 3.41Å; P296-N299 PolarHBondContact O-N 3.15Å; Y297-N299 PolarHBondContact O-N 3.37Å
300	S	92.5	Very high	90.1	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.035	28%	0.275	C	S	.	.	S	Bend	trans	-132.2	158.8	169.3	64.4	0	0	0	0	112	E151 L302 T303 S304	E151-S300 VanDerWaalsContact CD-CB 3.49Å; E151-S300 WeakPolarHBondContact OE1-CB 3.37Å; E151-S300 VanDerWaalsContact OE2-CA 3.3Å; E151-S300 WeakPolarHBondContact OE2-CA 3.29Å; E151-S300 WeakPolarHBondContact OE2-CB 3.27Å; S300-L302 PolarHBondContact O-N 2.9Å; S300-T303 PolarHBondContact N-OG1 3.03Å; S300-T303 PolarHBondContact O-N 2.84Å; S300-T303 PolarHBondContact O-OG1 3.48Å; S300-T303 PolarHBondContact OG-N 2.86Å; S300-T303 PolarHBondContact OG-OG1 2.82Å; S300-S304 WeakPolarHBondContact O-CB 3.29Å; S300-S304 PolarHBondContact O-N 3.12Å; S300-S304 VanDerWaalsContact O-N 3.09Å; S300-S304 PolarHBondContact O-OG 2.79Å
301	M	91.9	Very high	90.7	Very high	16 Å²	16	48.3 Å²	48.3	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-36.9	170.3	-177.7	153.9	-168.2	0	0	110.8	L146 I148 E151 G153 V172 I174 L184 S304 V305	L146-M301 HydrophobicContact CD1-CE 4.25Å; L146-M301 HydrophobicContact CD2-CE 4.36Å; I148-M301 HydrophobicContact CD1-CG 4.06Å; I148-M301 HydrophobicContact CG1-CG 4.31Å; I148-M301 HydrophobicContact CG2-CB 4.13Å; I148-M301 HydrophobicContact CG2-CG 4.32Å; E151-M301 PolarHBondContact OE2-N 3.37Å; G153-M301 VanDerWaalsContact CA-SD 3.53Å; G153-M301 PolarHBondContact N-SD 2.64Å; V172-M301 HydrophobicContact CB-CE 4.02Å; V172-M301 HydrophobicContact CG1-CE 3.8Å; I174-M301 HydrophobicContact CD1-CB 4.17Å; I174-M301 HydrophobicContact CD1-CE 4.46Å; I174-M301 HydrophobicContact CD1-CG 3.76Å; I174-M301 HydrophobicContact CD1-SD 4.48Å; I174-M301 HydrophobicContact CG1-CE 4.35Å; L184-M301 HydrophobicContact CD2-CE 4.34Å; M301-S304 PolarHBondContact O-N 3.32Å; M301-V305 HydrophobicContact CG-CG2 4.46Å; M301-V305 VanDerWaalsContact O-CG2 3.3Å; M301-V305 WeakPolarHBondContact O-CG2 3.36Å; M301-V305 PolarHBondContact O-N 3.23Å
302	L	93.1	Very high	91.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-49.9	177.1	-180	65.7	0	0	0	112.4	I148 H224 L251 L277 L280 S300 S304 V305 L306	I148-L302 HydrophobicContact CD1-CB 4.3Å; I148-L302 HydrophobicContact CD1-CD1 4.26Å; H224-L302 HydrophobicContact CB-CD1 4.15Å; L251-L302 HydrophobicContact CD2-CD1 3.78Å; L251-L302 HydrophobicContact CD2-CD2 4.02Å; L277-L302 HydrophobicContact CD2-CD2 4.36Å; L280-L302 HydrophobicContact CB-CD2 4.49Å; L280-L302 HydrophobicContact CD2-CD2 4.26Å; S300-L302 PolarHBondContact O-N 2.9Å; L302-S304 VanDerWaalsContact C-N 3.28Å; L302-S304 PolarHBondContact O-N 3.4Å; L302-V305 PolarHBondContact O-N 3.07Å; L302-L306 HydrophobicContact CD1-CD1 3.76Å; L302-L306 HydrophobicContact CD1-CG 4.35Å; L302-L306 HydrophobicContact CG-CD1 4.19Å; L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 WeakPolarHBondContact O-CG 3.32Å; L302-L306 PolarHBondContact O-N 3.24Å
303	T	94.1	Very high	91.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-72.1	-23.6	180	51.2	0	0	0	0	113.2	L280 V283 Y297 S300 R307	L280-T303 VanDerWaalsContact CA-CG2 3.47Å; L280-T303 HydrophobicContact CB-CG2 4.07Å; L280-T303 HydrophobicContact CD1-CG2 4.3Å; V283-T303 HydrophobicContact CB-CG2 4.29Å; V283-T303 HydrophobicContact CG2-CG2 3.83Å; Y297-T303 WeakPolarHBondContact CD1-O 3.5Å; Y297-T303 CarbonylContact O-C 3.57Å; Y297-T303 WeakPolarHBondContact O-CB 3.32Å; Y297-T303 PolarHBondContact O-OG1 3.28Å; S300-T303 PolarHBondContact N-OG1 3.03Å; S300-T303 PolarHBondContact O-N 2.84Å; S300-T303 PolarHBondContact O-OG1 3.48Å; S300-T303 PolarHBondContact OG-N 2.86Å; S300-T303 PolarHBondContact OG-OG1 2.82Å; T303-R307 PolarHBondContact O-N 3.13Å
304	S	93	Very high	92.4	Very high	9 Å²	9	33 Å²	33	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-70.5	-47.9	171.5	-63.9	0	0	0	0	111.2	I174 I182 Y297 S300 M301 L302 L306 R307	I174-S304 VanDerWaalsContact CD1-CB 3.47Å; I182-S304 WeakPolarHBondContact CD1-O 3.22Å; Y297-S304 PolarHBondContact O-N 3.23Å; Y297-S304 VanDerWaalsContact O-N 3.13Å; Y297-S304 PolarHBondContact O-OG 2.83Å; S300-S304 WeakPolarHBondContact O-CB 3.29Å; S300-S304 PolarHBondContact O-N 3.12Å; S300-S304 VanDerWaalsContact O-N 3.09Å; S300-S304 PolarHBondContact O-OG 2.79Å; M301-S304 PolarHBondContact O-N 3.32Å; L302-S304 VanDerWaalsContact C-N 3.28Å; L302-S304 PolarHBondContact O-N 3.4Å; S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 3.23Å; S304-R307 WeakPolarHBondContact O-CB 3.44Å; S304-R307 PolarHBondContact O-N 3.39Å
305	V	93.3	Very high	92.6	Very high	11 Å²	11	27.9 Å²	27.9	7%	0.067	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-36.9	176.4	171.7	0	0	0	0	111.7	L146 I148 L184 V226 M301 L302	L146-V305 HydrophobicContact CD2-CG2 4.01Å; I148-V305 HydrophobicContact CD1-CG2 4.45Å; L184-V305 HydrophobicContact CD1-CG2 4.15Å; L184-V305 HydrophobicContact CD2-CG2 4.06Å; V226-V305 HydrophobicContact CG1-CG1 4.11Å; V226-V305 HydrophobicContact CG2-CG1 4.39Å; M301-V305 HydrophobicContact CG-CG2 4.46Å; M301-V305 VanDerWaalsContact O-CG2 3.3Å; M301-V305 WeakPolarHBondContact O-CG2 3.36Å; M301-V305 PolarHBondContact O-N 3.23Å; L302-V305 PolarHBondContact O-N 3.07Å
306	L	93.7	Very high	92.8	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	14.6	-179.4	-60.1	179.1	0	0	0	114.6	V249 L302 S304 D308 S309 L310	V249-L306 HydrophobicContact CG2-CD2 4.28Å; L302-L306 HydrophobicContact CD1-CD1 3.76Å; L302-L306 HydrophobicContact CD1-CG 4.35Å; L302-L306 HydrophobicContact CG-CD1 4.19Å; L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 WeakPolarHBondContact O-CG 3.32Å; L302-L306 PolarHBondContact O-N 3.24Å; S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 3.23Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 2.79Å; L306-S309 WeakPolarHBondContact O-CB 3.38Å; L306-S309 PolarHBondContact O-N 2.88Å; L306-L310 HydrophobicContact CB-CD1 4.11Å; L306-L310 PolarHBondContact O-N 3.19Å
307	R	92.2	Very high	93	Very high	53 Å²	53	26.1 Å²	26.1	20%	0.2	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-44.8	178.2	179.7	179.2	178.3	165.7	1.9	112.2	E176 Q180 I182 Y297 T303 S304 S309	E176-R307 IonicContact OE1-CZ 2.99Å; E176-R307 IonicContact OE1-NH1 3.48Å; E176-R307 PolarHBondContact OE1-NH1 3.4Å; Q180-R307 PolarHBondContact O-NH1 2.91Å; I182-R307 HydrophobicContact CD1-CB 4Å; I182-R307 VanDerWaalsContact CD1-CD 3.5Å; I182-R307 HydrophobicContact CD1-CG 4.4Å; Y297-R307 HydrophobicContact CD1-CB 4.18Å; Y297-R307 HydrophobicContact CD1-CG 4.26Å; Y297-R307 HydrophobicContact CD2-CG 4.02Å; Y297-R307 HydrophobicContact CE1-CG 4.46Å; Y297-R307 HydrophobicContact CE2-CG 4.2Å; Y297-R307 HydrophobicContact CG-CB 4.27Å; Y297-R307 HydrophobicContact CG-CG 4.04Å; T303-R307 PolarHBondContact O-N 3.13Å; S304-R307 WeakPolarHBondContact O-CB 3.44Å; S304-R307 PolarHBondContact O-N 3.39Å; R307-S309 PolarHBondContact O-N 2.88Å
308	D	90.8	Very high	93.2	Very high	50 Å²	50	24.6 Å²	24.6	27%	0.267	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.3	177.5	-58.6	-14.9	0	0	0	112	K245 L306 G312 N313 C314	K245-D308 IonicContact NZ-OD2 2.85Å; K245-D308 PolarHBondContact NZ-OD2 2.84Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 2.79Å; D308-G312 CarbonylContact O-C 3.55Å; D308-G312 WeakPolarHBondContact O-CA 3.25Å; D308-N313 PolarHBondContact O-N 2.99Å; D308-C314 WeakPolarHBondContact O-CB 3.3Å
309	S	94.2	Very high	93.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.007	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-21.1	-171.2	-48.8	0	0	0	0	113.8	T92 L306 R307 T316 N347	T92-S309 PolarHBondContact OG1-OG 3.29Å; L306-S309 WeakPolarHBondContact O-CB 3.38Å; L306-S309 PolarHBondContact O-N 2.88Å; R307-S309 PolarHBondContact O-N 2.88Å; S309-T316 WeakPolarHBondContact O-CB 3.34Å; S309-T316 WeakPolarHBondContact O-CG2 3.37Å; S309-T316 PolarHBondContact O-OG1 2.9Å; S309-N347 PolarHBondContact O-ND2 2.85Å
310	L	93.1	Very high	93.9	Very high	2 Å²	2	13 Å²	13	1%	0.01	8%	0.078	C	C	.	.	S	Bend	trans	-122.1	95.9	-172.7	-61	170.2	0	0	0	108.6	I6 F94 L280 V283 L287 Y297 L306 G312	I6-L310 HydrophobicContact CD1-CD2 3.87Å; F94-L310 HydrophobicContact CE1-CD2 4.48Å; L280-L310 HydrophobicContact CD1-CD1 3.45Å; L280-L310 VanDerWaalsContact CD1-CD1 3.45Å; V283-L310 HydrophobicContact CG1-CB 4.45Å; V283-L310 HydrophobicContact CG1-CD1 4.23Å; L287-L310 HydrophobicContact CD1-CB 3.85Å; L287-L310 WeakPolarHBondContact CD1-O 3.26Å; Y297-L310 HydrophobicContact CE1-CB 4.48Å; Y297-L310 PolarHBondContact OH-O 3.48Å; L306-L310 HydrophobicContact CB-CD1 4.11Å; L306-L310 PolarHBondContact O-N 3.19Å; L310-G312 VanDerWaalsContact C-N 3.29Å; L310-G312 PolarHBondContact O-N 3.23Å
311	G	88.4	Confident	94.1	Very high	29 Å²	29	12.8 Å²	12.8	30%	0.299	8%	0.077	S	C	.	.	S	Bend	trans	79.2	4.9	-175.4	0	0	0	0	0	115.2	K346 N347	G311-K346 WeakPolarHBondContact CA-O 3.36Å; G311-N347 WeakPolarHBondContact CA-OD1 3.41Å; G311-N347 PolarHBondContact N-OD1 3.03Å
312	G	91.6	Very high	94.2	Very high	19 Å²	19	12 Å²	12	20%	0.196	7%	0.073	C	C	.	.	S	Bend	trans	-108	-160.1	-177.4	0	0	0	0	0	115	D308 L310 C314 N347 E348	D308-G312 CarbonylContact O-C 3.55Å; D308-G312 WeakPolarHBondContact O-CA 3.25Å; L310-G312 VanDerWaalsContact C-N 3.29Å; L310-G312 PolarHBondContact O-N 3.23Å; G312-C314 PolarHBondContact O-N 3.38Å; G312-C314 VanDerWaalsContact O-N 3.09Å; G312-N347 WeakPolarHBondContact O-CB 3.3Å; G312-E348 PolarHBondContact O-N 3.09Å
313	N	93.4	Very high	94	Very high	42 Å²	42	12.2 Å²	12.2	23%	0.225	7%	0.074	C	C	.	.	S	Bend	trans	-80.9	76.4	176.3	176.7	16.8	0	0	0	111.3	N90 D308 E348 I350 N352	N90-N313 WeakPolarHBondContact CB-O 3.45Å; N90-N313 PolarHBondContact ND2-O 2.95Å; D308-N313 PolarHBondContact O-N 2.99Å; N313-E348 WeakPolarHBondContact CA-O 3.36Å; N313-I350 PolarHBondContact OD1-N 2.85Å; N313-I350 PolarHBondContact OD1-O 3.38Å; N313-N352 PolarHBondContact ND2-OD1 3.33Å
314	C	94.4	Very high	93.7	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.014	8%	0.076	C	C	.	.	S	Bend	trans	-157.6	144	176.8	-165.4	0	0	0	0	113.8	N90 T92 D308 G312 T316 N347	N90-C314 HydrophobicContact CB-CB 4.34Å; T92-C314 PolarHBondContact N-SG 3.05Å; T92-C314 PolarHBondContact OG1-SG 2.81Å; D308-C314 WeakPolarHBondContact O-CB 3.3Å; G312-C314 PolarHBondContact O-N 3.38Å; G312-C314 VanDerWaalsContact O-N 3.09Å; C314-T316 PolarHBondContact O-N 3.05Å; C314-T316 PolarHBondContact SG-OG1 3.48Å; C314-T316 VanDerWaalsContact SG-OG1 3.38Å; C314-N347 VanDerWaalsContact O-CB 3.23Å; C314-N347 WeakPolarHBondContact O-CB 3.38Å; C314-N347 PolarHBondContact O-ND2 3.27Å
315	M	94.8	Very high	93.3	Very high	24 Å²	24	14.3 Å²	14.3	12%	0.118	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	93.4	166.6	-62.1	-134.3	169.9	0	0	109.9	V2 Q4 Y89 N90 G91 T92 A349	V2-M315 HydrophobicContact CB-CE 4.13Å; V2-M315 HydrophobicContact CG1-CE 4.31Å; V2-M315 HydrophobicContact CG2-CE 4.37Å; Q4-M315 VanDerWaalsContact NE2-CG 3.29Å; Q4-M315 PolarHBondContact NE2-SD 3.21Å; Y89-M315 HydrophobicContact CD1-CE 3.99Å; Y89-M315 HydrophobicContact CD2-CE 4.36Å; Y89-M315 HydrophobicContact CE1-CE 4.24Å; Y89-M315 HydrophobicContact CG-CE 4.06Å; N90-M315 WeakPolarHBondContact O-CB 3.36Å; N90-M315 PolarHBondContact O-N 3.3Å; G91-M315 WeakPolarHBondContact CA-O 3.15Å; T92-M315 PolarHBondContact N-O 3.4Å; M315-A349 HydrophobicContact CE-CB 3.71Å; M315-A349 HydrophobicContact CG-CB 3.79Å
316	T	96.8	Very high	92.6	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.018	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.6	-168.9	-54.8	0	0	0	0	112.9	I6 Q7 T92 F94 S309 C314 N347	I6-T316 HydrophobicContact CD1-CG2 4.21Å; I6-T316 HydrophobicContact CG2-CG2 4.09Å; I6-T316 WeakPolarHBondContact CG2-O 3.49Å; Q7-T316 PolarHBondContact N-O 3.02Å; Q7-T316 VanDerWaalsContact N-O 3.17Å; T92-T316 HydrophobicContact CG2-CG2 4.12Å; T92-T316 CarbonylContact O-C 3.6Å; T92-T316 WeakPolarHBondContact O-CA 3.31Å; F94-T316 HydrophobicContact CD1-CG2 4.1Å; F94-T316 HydrophobicContact CE1-CG2 3.84Å; S309-T316 WeakPolarHBondContact O-CB 3.34Å; S309-T316 WeakPolarHBondContact O-CG2 3.37Å; S309-T316 PolarHBondContact O-OG1 2.9Å; C314-T316 PolarHBondContact O-N 3.05Å; C314-T316 PolarHBondContact SG-OG1 3.48Å; C314-T316 VanDerWaalsContact SG-OG1 3.38Å; T316-N347 WeakPolarHBondContact CB-ND2 3.42Å; T316-N347 PolarHBondContact OG1-ND2 3.43Å
317	T	97.5	Very high	92	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.025	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.6	-179.2	-58.3	0	0	0	0	110.2	Q7 F9 I77 T92 I93 F94	Q7-T317 HydrophobicContact CB-CG2 4.25Å; Q7-T317 CarbonylContact O-C 3.59Å; Q7-T317 WeakPolarHBondContact O-CA 3.45Å; F9-T317 HydrophobicContact CD2-CG2 3.54Å; F9-T317 HydrophobicContact CE2-CG2 3.54Å; I77-T317 HydrophobicContact CG2-CG2 3.57Å; T92-T317 PolarHBondContact O-N 2.9Å; I93-T317 WeakPolarHBondContact CA-O 3.06Å; F94-T317 PolarHBondContact N-O 2.85Å; F94-T317 VanDerWaalsContact N-O 3.08Å
318	M	97.5	Very high	91.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.9	179.1	177	-169.1	174.6	0	0	110.4	Q7 I8 F9 F94 Y96 A320 F338 A339 V342	Q7-M318 PolarHBondContact O-N 3.22Å; I8-M318 HydrophobicContact CG2-CB 4.22Å; I8-M318 HydrophobicContact CG2-SD 4.27Å; F9-M318 PolarHBondContact N-O 3.45Å; F94-M318 HydrophobicContact CD1-CB 4.42Å; F94-M318 HydrophobicContact CD2-CG 4.12Å; F94-M318 HydrophobicContact CE1-CB 3.87Å; F94-M318 HydrophobicContact CE1-CG 4.36Å; F94-M318 HydrophobicContact CE2-CB 3.99Å; F94-M318 HydrophobicContact CE2-CG 3.54Å; F94-M318 HydrophobicContact CE2-SD 4.09Å; F94-M318 HydrophobicContact CZ-CB 3.64Å; F94-M318 HydrophobicContact CZ-CG 3.68Å; F94-M318 HydrophobicContact CZ-SD 4.14Å; F94-M318 WeakPolarHBondContact O-CA 3.5Å; Y96-M318 HydrophobicContact CD1-CE 3.68Å; Y96-M318 HydrophobicContact CG-CE 4Å; M318-A320 HydrophobicContact CE-CB 4.22Å; M318-F338 HydrophobicContact CE-CD1 3.65Å; M318-F338 HydrophobicContact CE-CE1 3.95Å; M318-F338 HydrophobicContact SD-CD1 4.5Å; M318-A339 HydrophobicContact CE-CB 3.74Å; M318-A339 HydrophobicContact SD-CB 3.86Å; M318-V342 HydrophobicContact CB-CG1 4.28Å; M318-V342 HydrophobicContact SD-CB 3.85Å; M318-V342 HydrophobicContact SD-CG1 3.86Å; M318-V342 HydrophobicContact SD-CG2 3.84Å
319	I	98.2	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.3	171.6	-48.8	175.9	0	0	0	108.7	R11 I77 I93 F94 A95 Y96 T106 I119 T321	R11-I319 HydrophobicContact CB-CG2 4.2Å; I77-I319 HydrophobicContact CD1-CD1 3.76Å; I77-I319 HydrophobicContact CD1-CG1 3.98Å; I77-I319 HydrophobicContact CG2-CD1 4.19Å; I77-I319 HydrophobicContact CG2-CG1 4.27Å; I93-I319 HydrophobicContact CG2-CD1 3.76Å; I93-I319 HydrophobicContact CG2-CG1 4.15Å; F94-I319 PolarHBondContact O-N 2.84Å; A95-I319 WeakPolarHBondContact CA-O 3.41Å; Y96-I319 PolarHBondContact N-O 3.18Å; T106-I319 HydrophobicContact CG2-CD1 3.7Å; T106-I319 HydrophobicContact CG2-CG2 4.24Å; I119-I319 HydrophobicContact CD1-CD1 3.42Å; I119-I319 VanDerWaalsContact CD1-CD1 3.42Å; I319-T321 HydrophobicContact CG2-CG2 4.17Å; I319-T321 PolarHBondContact O-N 2.87Å
320	A	97.5	Very high	91.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	105.9	173.6	0	0	0	0	0	109.7	F9 G10 R11 F60 Y96 M318 T335 A339	F9-A320 PolarHBondContact O-N 3.37Å; G10-A320 CarbonylContact C-O 3.58Å; R11-A320 PolarHBondContact N-O 2.98Å; F60-A320 HydrophobicContact CE1-CB 3.91Å; F60-A320 HydrophobicContact CZ-CB 4.43Å; Y96-A320 CarbonylContact O-C 3.58Å; Y96-A320 WeakPolarHBondContact O-CA 3.29Å; M318-A320 HydrophobicContact CE-CB 4.22Å; A320-T335 HydrophobicContact CB-CG2 4.02Å; A320-A339 HydrophobicContact CB-CB 4.2Å
321	T	95.9	Very high	90.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.5	179.8	59.8	0	0	0	0	111.2	R11 Y96 S101 K103 I319	R11-T321 HydrophobicContact CB-CG2 4.49Å; R11-T321 WeakPolarHBondContact O-CA 3.35Å; Y96-T321 PolarHBondContact O-N 3.37Å; Y96-T321 PolarHBondContact O-OG1 3.4Å; S101-T321 WeakPolarHBondContact CB-O 3.33Å; S101-T321 PolarHBondContact OG-O 3.26Å; S101-T321 PolarHBondContact OG-OG1 3.41Å; K103-T321 HydrophobicContact CG-CG2 4.38Å; K103-T321 WeakPolarHBondContact CG-OG1 3.24Å; I319-T321 HydrophobicContact CG2-CG2 4.17Å; I319-T321 PolarHBondContact O-N 2.87Å
322	M	94	Very high	91.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150	-165.1	-63.6	169.2	-73.1	0	0	112.2	R11 I12 K13 L36 F38 C336	R11-M322 PolarHBondContact O-N 3.16Å; I12-M322 HydrophobicContact CG1-CE 4.15Å; K13-M322 VanDerWaalsContact CB-O 3.32Å; K13-M322 WeakPolarHBondContact CB-O 3.22Å; K13-M322 PolarHBondContact N-O 3.45Å; L36-M322 HydrophobicContact CD2-CE 3.53Å; L36-M322 HydrophobicContact CD2-SD 3.42Å; L36-M322 WeakPolarHBondContact CD2-SD 3.5Å; F38-M322 HydrophobicContact CE2-SD 4.45Å; F38-M322 HydrophobicContact CZ-SD 4.05Å; M322-C336 PolarHBondContact SD-SG 3.03Å
323	A	90.3	Very high	91.2	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.033	13%	0.133	C	C	.	.			trans	-125.5	121.1	177.6	0	0	0	0	0	110.8	D325 N328 S332	A323-D325 PolarHBondContact O-N 2.85Å; A323-N328 HydrophobicContact CB-CB 3.97Å; A323-N328 VanDerWaalsContact O-CB 3.32Å; A323-N328 WeakPolarHBondContact O-CB 3.47Å; A323-S332 PolarHBondContact N-OG 2.97Å; A323-S332 PolarHBondContact O-OG 2.96Å; A323-S332 VanDerWaalsContact O-OG 3.08Å
324	V	87.1	Confident	91.1	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.024	13%	0.132	C	C	.	.			trans	-89.4	8.9	-169.7	-69.9	0	0	0	0	114.9	I12 T15 A20 Y24 F38	I12-V324 HydrophobicContact CG2-CG1 3.67Å; I12-V324 HydrophobicContact CG2-CG2 4.08Å; T15-V324 HydrophobicContact CG2-CG2 4.11Å; A20-V324 HydrophobicContact CB-CG2 4.14Å; Y24-V324 HydrophobicContact CD1-CB 3.85Å; Y24-V324 HydrophobicContact CD1-CG1 3.48Å; Y24-V324 VanDerWaalsContact CD1-CG1 3.48Å; Y24-V324 HydrophobicContact CD1-CG2 4.27Å; Y24-V324 HydrophobicContact CE1-CB 4.07Å; Y24-V324 HydrophobicContact CE1-CG1 3.82Å; Y24-V324 HydrophobicContact CE1-CG2 3.97Å; Y24-V324 HydrophobicContact CG-CG1 4Å; F38-V324 HydrophobicContact CE1-CG1 4.28Å
325	D	84.1	Confident	91.1	Very high	48 Å²	48	28.1 Å²	28.1	26%	0.257	13%	0.132	S	C	.	.	S	Bend	trans	-60.3	141	169.3	-61.1	-46	0	0	0	110.4	A323 R327 N328 L329	A323-D325 PolarHBondContact O-N 2.85Å; D325-R327 HydrophobicContact CB-CG 3.75Å; D325-R327 PolarHBondContact O-N 2.88Å; D325-R327 IonicContact OD2-CZ 3.63Å; D325-R327 IonicContact OD2-NE 2.64Å; D325-R327 PolarHBondContact OD2-NE 2.9Å; D325-R327 VanDerWaalsContact OD2-NE 3.15Å; D325-R327 IonicContact OD2-NH2 2.83Å; D325-R327 PolarHBondContact OD2-NH2 3.36Å; D325-N328 HydrophobicContact CB-CB 4.15Å; D325-N328 WeakPolarHBondContact O-CA 3.27Å; D325-N328 WeakPolarHBondContact O-CB 3.38Å; D325-N328 PolarHBondContact O-N 3.23Å; D325-N328 PolarHBondContact OD2-ND2 3.18Å; D325-L329 PolarHBondContact O-N 3.34Å
326	K	80.2	Confident	91.2	Very high	146 Å²	146	27 Å²	27	64%	0.635	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-47.4	-38.4	177	-173.3	-177.5	175.4	-172.7	0	113.5	D43 N328	D43-K326 IonicContact OD2-NZ 2.73Å; D43-K326 PolarHBondContact OD2-NZ 2.93Å; K326-N328 VanDerWaalsContact C-N 3.3Å; K326-N328 PolarHBondContact O-N 3.32Å
327	R	81.1	Confident	91.1	Very high	186 Å²	186	31.4 Å²	31.4	70%	0.702	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-67.5	-21.2	178.1	61.2	173.9	177.2	-178.8	-2.4	115.3	D325	D325-R327 HydrophobicContact CB-CG 3.75Å; D325-R327 PolarHBondContact O-N 2.88Å; D325-R327 IonicContact OD2-CZ 3.63Å; D325-R327 IonicContact OD2-NE 2.64Å; D325-R327 PolarHBondContact OD2-NE 2.9Å; D325-R327 VanDerWaalsContact OD2-NE 3.15Å; D325-R327 IonicContact OD2-NH2 2.83Å; D325-R327 PolarHBondContact OD2-NH2 3.36Å
328	N	84.6	Confident	90.9	Very high	26 Å²	26	31.3 Å²	31.3	14%	0.139	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-108.2	-6.3	-168.7	-79.1	-24.9	0	0	0	112.9	Q98 A323 D325 K326 D330 E331 S332	Q98-N328 PolarHBondContact NE2-OD1 2.98Å; Q98-N328 VanDerWaalsContact OE1-CB 3.22Å; Q98-N328 PolarHBondContact OE1-O 3.49Å; A323-N328 HydrophobicContact CB-CB 3.97Å; A323-N328 VanDerWaalsContact O-CB 3.32Å; A323-N328 WeakPolarHBondContact O-CB 3.47Å; D325-N328 HydrophobicContact CB-CB 4.15Å; D325-N328 WeakPolarHBondContact O-CA 3.27Å; D325-N328 WeakPolarHBondContact O-CB 3.38Å; D325-N328 PolarHBondContact O-N 3.23Å; D325-N328 PolarHBondContact OD2-ND2 3.18Å; K326-N328 VanDerWaalsContact C-N 3.3Å; K326-N328 PolarHBondContact O-N 3.32Å; N328-D330 PolarHBondContact O-N 3.39Å; N328-E331 PolarHBondContact O-N 3.38Å; N328-S332 PolarHBondContact O-N 3.32Å; N328-S332 PolarHBondContact O-OG 3.39Å
329	L	86.8	Confident	90.8	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-43	-177	-59.5	177.3	0	0	0	112.8	V23 F38 V40 D325 E331 S332 I333	V23-L329 HydrophobicContact CG1-CD1 3.47Å; V23-L329 VanDerWaalsContact CG1-CD1 3.47Å; V23-L329 HydrophobicContact CG1-CD2 3.55Å; V23-L329 HydrophobicContact CG1-CG 4.1Å; F38-L329 HydrophobicContact CD1-CD2 4.05Å; F38-L329 HydrophobicContact CE1-CD2 4.29Å; V40-L329 HydrophobicContact CG2-CD1 4.41Å; D325-L329 PolarHBondContact O-N 3.34Å; L329-E331 VanDerWaalsContact C-N 3.26Å; L329-E331 PolarHBondContact O-N 2.92Å; L329-S332 PolarHBondContact O-N 3.45Å; L329-I333 HydrophobicContact CB-CD1 4.3Å; L329-I333 VanDerWaalsContact O-CB 3.23Å; L329-I333 WeakPolarHBondContact O-CB 3.46Å; L329-I333 WeakPolarHBondContact O-CD1 3.35Å; L329-I333 WeakPolarHBondContact O-CG1 3.5Å; L329-I333 PolarHBondContact O-N 2.99Å
330	D	87.1	Confident	90.6	Very high	93 Å²	93	34.2 Å²	34.2	50%	0.497	16%	0.155	S	C	.	.	H	α-helix	trans	-55.6	-41.7	178.6	-71.5	-34.2	0	0	0	112.6	K259 N328 S334	K259-D330 IonicContact NZ-OD2 2.7Å; K259-D330 PolarHBondContact NZ-OD2 3.16Å; N328-D330 PolarHBondContact O-N 3.39Å; D330-S334 VanDerWaalsContact O-CB 3.32Å; D330-S334 WeakPolarHBondContact O-CB 3.49Å; D330-S334 PolarHBondContact O-N 3.42Å; D330-S334 PolarHBondContact O-OG 2.69Å
331	E	88.9	Confident	90.4	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-79.2	-35.9	-177.9	-50.5	-50.2	148.1	0	0	110.8	Q98 K259 N328 L329 S334 T335	Q98-E331 HydrophobicContact CB-CB 4.16Å; K259-E331 WeakPolarHBondContact CD-OE1 3.04Å; K259-E331 WeakPolarHBondContact CE-OE1 3.49Å; K259-E331 IonicContact NZ-OE1 2.81Å; K259-E331 PolarHBondContact NZ-OE1 3.43Å; N328-E331 PolarHBondContact O-N 3.38Å; L329-E331 VanDerWaalsContact C-N 3.26Å; L329-E331 PolarHBondContact O-N 2.92Å; E331-S334 PolarHBondContact O-N 2.91Å; E331-T335 WeakPolarHBondContact O-CB 3.48Å; E331-T335 PolarHBondContact O-N 3.4Å; E331-T335 PolarHBondContact O-OG1 2.92Å
332	S	92.2	Very high	90.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-39.4	172.6	-64.3	0	0	0	0	112.4	A323 N328 L329 T335 C336	A323-S332 PolarHBondContact N-OG 2.97Å; A323-S332 PolarHBondContact O-OG 2.96Å; A323-S332 VanDerWaalsContact O-OG 3.08Å; N328-S332 PolarHBondContact O-N 3.32Å; N328-S332 PolarHBondContact O-OG 3.39Å; L329-S332 PolarHBondContact O-N 3.45Å; S332-T335 WeakPolarHBondContact O-CB 3.23Å; S332-T335 PolarHBondContact O-N 2.85Å; S332-C336 PolarHBondContact O-N 3.1Å; S332-C336 PolarHBondContact O-SG 3.32Å
333	I	92.3	Very high	90.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-38.3	172.5	-72	165	0	0	0	110.5	F38 V40 Y56 F58 L329 C336 R337	F38-I333 HydrophobicContact CB-CD1 4.12Å; F38-I333 HydrophobicContact CB-CG1 4.15Å; F38-I333 HydrophobicContact CD2-CG1 3.92Å; F38-I333 HydrophobicContact CE2-CG1 4.43Å; F38-I333 HydrophobicContact CG-CD1 4.39Å; F38-I333 HydrophobicContact CG-CG1 3.96Å; V40-I333 HydrophobicContact CG2-CD1 3.58Å; Y56-I333 HydrophobicContact CD1-CG2 4.4Å; Y56-I333 HydrophobicContact CD2-CD1 3.72Å; Y56-I333 HydrophobicContact CD2-CG1 4.43Å; Y56-I333 HydrophobicContact CD2-CG2 4.39Å; Y56-I333 HydrophobicContact CE2-CD1 4.11Å; Y56-I333 HydrophobicContact CG-CD1 4.42Å; Y56-I333 HydrophobicContact CG-CG2 4.23Å; F58-I333 HydrophobicContact CE2-CG1 4.5Å; F58-I333 HydrophobicContact CE2-CG2 4.37Å; F58-I333 HydrophobicContact CZ-CG2 4.07Å; L329-I333 HydrophobicContact CB-CD1 4.3Å; L329-I333 VanDerWaalsContact O-CB 3.23Å; L329-I333 WeakPolarHBondContact O-CB 3.46Å; L329-I333 WeakPolarHBondContact O-CD1 3.35Å; L329-I333 WeakPolarHBondContact O-CG1 3.5Å; L329-I333 PolarHBondContact O-N 2.99Å; I333-C336 PolarHBondContact O-N 3.19Å; I333-R337 VanDerWaalsContact CG2-NH2 3.34Å; I333-R337 VanDerWaalsContact O-CG 3.3Å; I333-R337 WeakPolarHBondContact O-CG 3.37Å; I333-R337 PolarHBondContact O-N 2.77Å
334	S	92.7	Very high	90.5	Very high	31 Å²	31	44 Å²	44	22%	0.217	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-41.2	174.3	-61.4	0	0	0	0	111.8	D330 E331 C336 R337 F338	D330-S334 VanDerWaalsContact O-CB 3.32Å; D330-S334 WeakPolarHBondContact O-CB 3.49Å; D330-S334 PolarHBondContact O-N 3.42Å; D330-S334 PolarHBondContact O-OG 2.69Å; E331-S334 PolarHBondContact O-N 2.91Å; S334-C336 VanDerWaalsContact C-N 3.34Å; S334-C336 PolarHBondContact O-N 2.76Å; S334-R337 PolarHBondContact O-N 2.99Å; S334-F338 PolarHBondContact O-N 3.22Å
335	T	94.9	Very high	90.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-44.7	172.3	-58.7	0	0	0	0	111	Y96 A320 E331 S332 F338 A339	Y96-T335 HydrophobicContact CD1-CG2 3.97Å; Y96-T335 HydrophobicContact CE1-CG2 4.28Å; A320-T335 HydrophobicContact CB-CG2 4.02Å; E331-T335 WeakPolarHBondContact O-CB 3.48Å; E331-T335 PolarHBondContact O-N 3.4Å; E331-T335 PolarHBondContact O-OG1 2.92Å; S332-T335 WeakPolarHBondContact O-CB 3.23Å; S332-T335 PolarHBondContact O-N 2.85Å; T335-F338 PolarHBondContact O-N 2.9Å; T335-A339 PolarHBondContact O-N 3.21Å
336	C	95.3	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-47.4	174.8	-68.9	0	0	0	0	112.6	F58 F60 M322 S332 I333 S334 F338 A339 Q340	F58-C336 HydrophobicContact CB-CB 4.36Å; F58-C336 HydrophobicContact CD1-CB 3.73Å; F58-C336 HydrophobicContact CD2-CB 3.49Å; F58-C336 VanDerWaalsContact CD2-CB 3.49Å; F58-C336 HydrophobicContact CE1-CB 3.74Å; F58-C336 HydrophobicContact CE2-CB 3.49Å; F58-C336 VanDerWaalsContact CE2-CB 3.49Å; F58-C336 HydrophobicContact CG-CB 3.59Å; F58-C336 HydrophobicContact CZ-CB 3.61Å; F60-C336 HydrophobicContact CZ-CB 4.33Å; M322-C336 PolarHBondContact SD-SG 3.03Å; S332-C336 PolarHBondContact O-N 3.1Å; S332-C336 PolarHBondContact O-SG 3.32Å; I333-C336 PolarHBondContact O-N 3.19Å; S334-C336 VanDerWaalsContact C-N 3.34Å; S334-C336 PolarHBondContact O-N 2.76Å; C336-F338 VanDerWaalsContact C-N 3.26Å; C336-F338 PolarHBondContact O-N 2.95Å; C336-A339 WeakPolarHBondContact O-CB 3.35Å; C336-A339 PolarHBondContact O-N 3.06Å; C336-A339 VanDerWaalsContact O-N 3.13Å; C336-Q340 WeakPolarHBondContact O-CG 3.13Å; C336-Q340 PolarHBondContact O-N 3.03Å
337	R	94.1	Very high	91.8	Very high	97 Å²	97	41.6 Å²	41.6	37%	0.366	19%	0.192	S	C	.	.	H	α-helix	trans	-58.5	-37.9	177.1	-71.3	169.1	-173.6	155.1	2.7	112	F58 I333 S334 R341	F58-R337 HydrophobicContact CE1-CG 3.75Å; F58-R337 HydrophobicContact CZ-CG 3.92Å; I333-R337 VanDerWaalsContact CG2-NH2 3.34Å; I333-R337 VanDerWaalsContact O-CG 3.3Å; I333-R337 WeakPolarHBondContact O-CG 3.37Å; I333-R337 PolarHBondContact O-N 2.77Å; S334-R337 PolarHBondContact O-N 2.99Å; R337-R341 PolarHBondContact O-N 3.11Å; R337-R341 PolarHBondContact O-NH1 3.12Å
338	F	93.7	Very high	92.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-46.1	174.3	179.6	-90.3	0	0	0	111.3	Y96 L280 E281 I284 M318 S334 T335 C336 Q340 R341 V342	Y96-F338 AromaticContact CD1-CD1 3.46Å; Y96-F338 HydrophobicContact CD1-CD1 3.46Å; Y96-F338 VanDerWaalsContact CD1-CD1 3.46Å; Y96-F338 AromaticContact CD1-CE1 3.69Å; Y96-F338 HydrophobicContact CD1-CE1 3.69Å; Y96-F338 HydrophobicContact CD1-CG 4.28Å; Y96-F338 HydrophobicContact CD2-CD1 4.4Å; Y96-F338 AromaticContact CD2-CE1 3.82Å; Y96-F338 HydrophobicContact CD2-CE1 3.82Å; Y96-F338 HydrophobicContact CD2-CZ 4.2Å; Y96-F338 HydrophobicContact CE1-CB 3.97Å; Y96-F338 AromaticContact CE1-CD1 3.26Å; Y96-F338 HydrophobicContact CE1-CD1 3.26Å; Y96-F338 HydrophobicContact CE1-CD2 4.32Å; Y96-F338 AromaticContact CE1-CE1 3.67Å; Y96-F338 HydrophobicContact CE1-CE1 3.67Å; Y96-F338 AromaticContact CE1-CG 3.62Å; Y96-F338 HydrophobicContact CE1-CG 3.62Å; Y96-F338 HydrophobicContact CE1-CZ 4.34Å; Y96-F338 HydrophobicContact CE2-CD1 4.22Å; Y96-F338 AromaticContact CE2-CE1 3.77Å; Y96-F338 HydrophobicContact CE2-CE1 3.77Å; Y96-F338 HydrophobicContact CE2-CE2 4.36Å; Y96-F338 AromaticContact CE2-CZ 3.83Å; Y96-F338 HydrophobicContact CE2-CZ 3.83Å; Y96-F338 HydrophobicContact CG-CD1 4.05Å; Y96-F338 AromaticContact CG-CE1 3.77Å; Y96-F338 HydrophobicContact CG-CE1 3.77Å; Y96-F338 AromaticContact CZ-CD1 3.66Å; Y96-F338 AromaticContact CZ-CE1 3.7Å; Y96-F338 AromaticContact CZ-CG 3.84Å; Y96-F338 AromaticContact CZ-CZ 3.9Å; L280-F338 HydrophobicContact CD2-CZ 4.23Å; L280-F338 HydrophobicContact CG-CZ 4.31Å; E281-F338 HydrophobicContact CB-CE2 4Å; E281-F338 HydrophobicContact CG-CD2 4.47Å; E281-F338 HydrophobicContact CG-CE2 4.37Å; I284-F338 HydrophobicContact CD1-CE1 3.94Å; I284-F338 HydrophobicContact CD1-CE2 3.61Å; I284-F338 HydrophobicContact CD1-CZ 3.21Å; M318-F338 HydrophobicContact CE-CD1 3.65Å; M318-F338 HydrophobicContact CE-CE1 3.95Å; M318-F338 HydrophobicContact SD-CD1 4.5Å; S334-F338 PolarHBondContact O-N 3.22Å; T335-F338 PolarHBondContact O-N 2.9Å; C336-F338 VanDerWaalsContact C-N 3.26Å; C336-F338 PolarHBondContact O-N 2.95Å; F338-Q340 VanDerWaalsContact C-N 3.32Å; F338-Q340 PolarHBondContact O-N 3.08Å; F338-R341 WeakPolarHBondContact O-CB 3.39Å; F338-R341 PolarHBondContact O-N 2.68Å; F338-V342 HydrophobicContact CD1-CG2 4.15Å; F338-V342 HydrophobicContact CE1-CG2 3.92Å; F338-V342 HydrophobicContact CZ-CG2 4.45Å; F338-V342 PolarHBondContact O-N 2.92Å
339	A	95.8	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.5	-41.7	174.2	0	0	0	0	0	112.8	I8 F60 M318 A320 T335 C336 R341 V342 A343	I8-A339 HydrophobicContact CD1-CB 4.27Å; F60-A339 HydrophobicContact CE1-CB 3.81Å; F60-A339 HydrophobicContact CZ-CB 4.4Å; M318-A339 HydrophobicContact CE-CB 3.74Å; M318-A339 HydrophobicContact SD-CB 3.86Å; A320-A339 HydrophobicContact CB-CB 4.2Å; T335-A339 PolarHBondContact O-N 3.21Å; C336-A339 WeakPolarHBondContact O-CB 3.35Å; C336-A339 PolarHBondContact O-N 3.06Å; C336-A339 VanDerWaalsContact O-N 3.13Å; A339-R341 PolarHBondContact O-N 3.34Å; A339-V342 PolarHBondContact O-N 2.86Å; A339-V342 VanDerWaalsContact O-N 3.17Å; A339-A343 PolarHBondContact O-N 3Å
340	Q	94.9	Very high	93	Very high	60 Å²	60	38.4 Å²	38.4	28%	0.28	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-28.9	175.7	-59.7	-51.5	-85.6	0	0	112.9	F58 R59 C336 F338	F58-Q340 HydrophobicContact CD1-CG 3.77Å; F58-Q340 HydrophobicContact CE1-CG 4.43Å; R59-Q340 PolarHBondContact O-NE2 3.29Å; R59-Q340 PolarHBondContact O-OE1 2.9Å; C336-Q340 WeakPolarHBondContact O-CG 3.13Å; C336-Q340 PolarHBondContact O-N 3.03Å; F338-Q340 VanDerWaalsContact C-N 3.32Å; F338-Q340 PolarHBondContact O-N 3.08Å
341	R	93.7	Very high	93.3	Very high	70 Å²	70	36.8 Å²	36.8	26%	0.264	18%	0.177	S	C	.	.	H	α-helix	trans	-73.5	-44.4	172.3	-70.8	-171.6	-72	-73.7	9.9	111.5	E281 I284 R337 F338 A339 A343 L344	E281-R341 IonicContact OE1-CZ 3.19Å; E281-R341 IonicContact OE1-NE 2.71Å; E281-R341 IonicContact OE1-NH2 2.81Å; E281-R341 PolarHBondContact OE1-NH2 2.75Å; I284-R341 HydrophobicContact CG2-CB 3.81Å; R337-R341 PolarHBondContact O-N 3.11Å; R337-R341 PolarHBondContact O-NH1 3.12Å; F338-R341 WeakPolarHBondContact O-CB 3.39Å; F338-R341 PolarHBondContact O-N 2.68Å; A339-R341 PolarHBondContact O-N 3.34Å; R341-A343 VanDerWaalsContact C-N 3.27Å; R341-A343 PolarHBondContact O-N 3.27Å; R341-L344 WeakPolarHBondContact O-CB 3.45Å; R341-L344 PolarHBondContact O-N 3.34Å; R341-L344 VanDerWaalsContact O-N 3.1Å
342	V	95.1	Very high	93.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.7	-41.1	177.6	171.4	0	0	0	0	111.6	I6 I8 F94 I284 M318 F338 A339 L344 I345	I6-V342 HydrophobicContact CB-CG1 4.01Å; I6-V342 HydrophobicContact CD1-CG1 4.2Å; I6-V342 HydrophobicContact CG2-CG1 3.52Å; I8-V342 HydrophobicContact CG2-CB 4.46Å; I8-V342 HydrophobicContact CG2-CG1 4.23Å; F94-V342 HydrophobicContact CZ-CG1 4.15Å; I284-V342 HydrophobicContact CD1-CG2 3.65Å; I284-V342 HydrophobicContact CG1-CG2 4.13Å; I284-V342 HydrophobicContact CG2-CG2 4.05Å; M318-V342 HydrophobicContact CB-CG1 4.28Å; M318-V342 HydrophobicContact SD-CB 3.85Å; M318-V342 HydrophobicContact SD-CG1 3.86Å; M318-V342 HydrophobicContact SD-CG2 3.84Å; F338-V342 HydrophobicContact CD1-CG2 4.15Å; F338-V342 HydrophobicContact CE1-CG2 3.92Å; F338-V342 HydrophobicContact CZ-CG2 4.45Å; F338-V342 PolarHBondContact O-N 2.92Å; A339-V342 PolarHBondContact O-N 2.86Å; A339-V342 VanDerWaalsContact O-N 3.17Å; V342-L344 PolarHBondContact O-N 3.17Å; V342-L344 VanDerWaalsContact O-N 3.08Å; V342-I345 WeakPolarHBondContact O-CB 3.38Å; V342-I345 PolarHBondContact O-N 3.49Å
343	A	94.1	Very high	93.4	Very high	26 Å²	26	41.8 Å²	41.8	22%	0.215	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.1	178.7	0	0	0	0	0	115.3	T5 I8 A339 R341	T5-A343 WeakPolarHBondContact CB-O 3.42Å; I8-A343 HydrophobicContact CD1-CB 3.76Å; I8-A343 HydrophobicContact CG1-CB 3.94Å; I8-A343 HydrophobicContact CG2-CB 3.91Å; A339-A343 PolarHBondContact O-N 3Å; R341-A343 VanDerWaalsContact C-N 3.27Å; R341-A343 PolarHBondContact O-N 3.27Å
344	L	92.4	Very high	93.1	Very high	114 Å²	114	44.8 Å²	44.8	60%	0.597	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-18.6	175.4	-58.4	177	0	0	0	112.8	R341 V342	R341-L344 WeakPolarHBondContact O-CB 3.45Å; R341-L344 PolarHBondContact O-N 3.34Å; R341-L344 VanDerWaalsContact O-N 3.1Å; V342-L344 PolarHBondContact O-N 3.17Å; V342-L344 VanDerWaalsContact O-N 3.08Å
345	I	93.3	Very high	92.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.229	C	C	.	.			trans	-70.2	134.7	179.5	-57.6	175.5	0	0	0	109.1	T5 I6 I284 L287 V342	T5-I345 CarbonylContact C-O 3.55Å; T5-I345 VanDerWaalsContact CA-O 3.23Å; T5-I345 WeakPolarHBondContact CA-O 3.37Å; I6-I345 HydrophobicContact CD1-CB 3.82Å; I6-I345 HydrophobicContact CD1-CD1 4.21Å; I6-I345 HydrophobicContact CD1-CG2 3.76Å; I6-I345 HydrophobicContact CG1-CB 4.12Å; I6-I345 HydrophobicContact CG1-CG2 4.21Å; I6-I345 PolarHBondContact N-O 3.47Å; I284-I345 HydrophobicContact CB-CD1 4.15Å; I284-I345 HydrophobicContact CG1-CD1 3.82Å; I284-I345 HydrophobicContact CG2-CD1 4.1Å; L287-I345 HydrophobicContact CB-CD1 4.1Å; L287-I345 HydrophobicContact CB-CG1 3.93Å; L287-I345 HydrophobicContact CB-CG2 4.29Å; L287-I345 HydrophobicContact CD1-CD1 4.05Å; L287-I345 HydrophobicContact CD1-CG2 4.15Å; V342-I345 WeakPolarHBondContact O-CB 3.38Å; V342-I345 PolarHBondContact O-N 3.49Å
346	K	91.8	Very high	92.1	Very high	146 Å²	146	48.9 Å²	48.9	64%	0.635	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.6	174.8	-63.6	-179.8	-179.1	-175.7	0	109.8	Q4 T5 G311	Q4-K346 CarbonylContact O-C 3.56Å; Q4-K346 WeakPolarHBondContact O-CA 3.47Å; T5-K346 HydrophobicContact CG2-CG 4Å; G311-K346 WeakPolarHBondContact CA-O 3.36Å
347	N	93.3	Very high	91.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	153.2	171.9	-70.2	16.5	0	0	0	109.9	K3 Q4 S309 G311 G312 C314 T316	K3-N347 WeakPolarHBondContact CA-O 3.49Å; Q4-N347 PolarHBondContact N-O 2.99Å; Q4-N347 VanDerWaalsContact N-O 3.11Å; Q4-N347 PolarHBondContact O-N 3.34Å; S309-N347 PolarHBondContact O-ND2 2.85Å; G311-N347 WeakPolarHBondContact CA-OD1 3.41Å; G311-N347 PolarHBondContact N-OD1 3.03Å; G312-N347 WeakPolarHBondContact O-CB 3.3Å; C314-N347 VanDerWaalsContact O-CB 3.23Å; C314-N347 WeakPolarHBondContact O-CB 3.38Å; C314-N347 PolarHBondContact O-ND2 3.27Å; T316-N347 WeakPolarHBondContact CB-ND2 3.42Å; T316-N347 PolarHBondContact OG1-ND2 3.43Å
348	E	91.9	Very high	90.7	Very high	73 Å²	73	50 Å²	50	34%	0.341	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	80.8	-179.1	-54.5	-154.7	172.5	0	0	109.4	M1 K3 G312 N313	M1-E348 HydrophobicContact CG-CB 4.47Å; M1-E348 HydrophobicContact SD-CB 4.26Å; K3-E348 HydrophobicContact CD-CG 4.22Å; K3-E348 WeakPolarHBondContact CD-OE1 3.45Å; K3-E348 VanDerWaalsContact CE-OE1 3.27Å; K3-E348 WeakPolarHBondContact CE-OE1 3.42Å; K3-E348 WeakPolarHBondContact CE-OE2 3.47Å; K3-E348 HydrophobicContact CG-CG 4.11Å; K3-E348 IonicContact NZ-OE1 2.82Å; K3-E348 PolarHBondContact NZ-OE1 2.81Å; K3-E348 IonicContact NZ-OE2 4Å; K3-E348 PolarHBondContact NZ-OE2 3.06Å; G312-E348 PolarHBondContact O-N 3.09Å; N313-E348 WeakPolarHBondContact CA-O 3.36Å
349	A	92	Very high	90.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.2	-174.9	0	0	0	0	0	111.5	M1 V2 Y89 M315	M1-A349 CarbonylContact C-O 3.54Å; M1-A349 WeakPolarHBondContact CA-O 3.48Å; V2-A349 PolarHBondContact N-O 3.06Å; V2-A349 PolarHBondContact O-N 2.95Å; Y89-A349 HydrophobicContact CD1-CB 4.18Å; M315-A349 HydrophobicContact CE-CB 3.71Å; M315-A349 HydrophobicContact CG-CB 3.79Å
350	I	93.3	Very high	89.5	Confident	79 Å²	79	57.5 Å²	57.5	41%	0.405	30%	0.299	S	S	.	.			trans	-119.7	144.5	-179.1	-58.8	173.5	0	0	0	108	M1 Y89 N313 N352	M1-I350 HydrophobicContact CB-CG1 4.29Å; M1-I350 HydrophobicContact CG-CG1 4.08Å; Y89-I350 VanDerWaalsContact CD1-O 3.28Å; Y89-I350 WeakPolarHBondContact CD1-O 3.41Å; N313-I350 PolarHBondContact OD1-N 2.85Å; N313-I350 PolarHBondContact OD1-O 3.38Å; I350-N352 PolarHBondContact O-N 3Å; I350-N352 PolarHBondContact O-OD1 3.38Å
351	L	93.4	Very high	89	Confident	59 Å²	59	58.7 Å²	58.7	31%	0.309	31%	0.306	S	S	.	.			trans	-76.9	111.8	172.2	-179.8	66.1	0	0	0	107.2	A87 Y89 E353	A87-L351 VanDerWaalsContact O-CD1 3.29Å; A87-L351 WeakPolarHBondContact O-CD1 3.35Å; Y89-L351 HydrophobicContact CD2-CD1 4.48Å; Y89-L351 HydrophobicContact CE1-CB 4Å; Y89-L351 HydrophobicContact CE2-CD1 4.21Å; L351-E353 VanDerWaalsContact C-N 3.32Å; L351-E353 PolarHBondContact O-N 3.03Å
352	N	91.9	Very high	88.6	Confident	35 Å²	35	57.6 Å²	57.6	19%	0.187	31%	0.312	C	S	.	.			trans	-84.4	81.3	-176.3	-31.3	-68.8	0	0	0	109.5	G88 N90 R242 R243 N313 I350	G88-N352 PolarHBondContact O-N 3.18Å; G88-N352 PolarHBondContact O-ND2 3.38Å; N90-N352 PolarHBondContact OD1-ND2 3.04Å; R242-N352 VanDerWaalsContact CA-O 3.3Å; R242-N352 WeakPolarHBondContact CA-O 3.24Å; R243-N352 PolarHBondContact N-O 2.91Å; R243-N352 VanDerWaalsContact N-O 3.11Å; R243-N352 WeakPolarHBondContact O-CB 3.37Å; R243-N352 PolarHBondContact O-ND2 2.91Å; N313-N352 PolarHBondContact ND2-OD1 3.33Å; I350-N352 PolarHBondContact O-N 3Å; I350-N352 PolarHBondContact O-OD1 3.38Å
353	E	90.8	Very high	88.1	Confident	79 Å²	79	64.8 Å²	64.8	37%	0.369	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.2	172.3	-172.9	157.1	178.4	0	0	110.3	T240 L241 R242 L351	T240-E353 WeakPolarHBondContact CB-OE1 3.36Å; T240-E353 HydrophobicContact CG2-CG 4.22Å; T240-E353 WeakPolarHBondContact CG2-OE1 3.18Å; T240-E353 PolarHBondContact OG1-OE1 3.03Å; L241-E353 WeakPolarHBondContact O-CA 3.38Å; R242-E353 HydrophobicContact CG-CB 4.05Å; R242-E353 HydrophobicContact CG-CG 4.11Å; R242-E353 IonicContact CZ-OE2 3.16Å; R242-E353 IonicContact NE-OE2 2.74Å; R242-E353 PolarHBondContact NE-OE2 2.96Å; R242-E353 IonicContact NH2-OE1 2.71Å; R242-E353 IonicContact NH2-OE2 3.62Å; R242-E353 PolarHBondContact NH2-OE2 2.94Å; L351-E353 VanDerWaalsContact C-N 3.32Å; L351-E353 PolarHBondContact O-N 3.03Å
354	E	87.5	Confident	87.8	Confident	66 Å²	66	67.7 Å²	67.7	31%	0.308	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159	-176.1	66	-178.6	108.5	0	0	110.9	T240 L241 R243	T240-E354 CarbonylContact C-O 3.56Å; T240-E354 VanDerWaalsContact CA-O 3.3Å; T240-E354 WeakPolarHBondContact CA-O 3.41Å; L241-E354 HydrophobicContact CD1-CG 3.95Å; L241-E354 HydrophobicContact CD2-CG 3.97Å; L241-E354 HydrophobicContact CG-CG 3.72Å; L241-E354 PolarHBondContact N-O 2.86Å; L241-E354 PolarHBondContact O-N 2.65Å; R243-E354 VanDerWaalsContact CD-OE1 3.32Å; R243-E354 WeakPolarHBondContact CD-OE1 3.25Å; R243-E354 WeakPolarHBondContact CG-OE1 3.16Å; R243-E354 IonicContact CZ-OE1 2.68Å; R243-E354 IonicContact CZ-OE2 3.75Å; R243-E354 IonicContact NE-OE1 2.62Å; R243-E354 PolarHBondContact NE-OE1 3.16Å; R243-E354 IonicContact NH1-OE1 2.67Å; R243-E354 PolarHBondContact NH1-OE1 3.49Å; R243-E354 IonicContact NH1-OE2 3.38Å; R243-E354 PolarHBondContact NH1-OE2 3.05Å; R243-E354 VanDerWaalsContact NH2-CD 3.26Å; R243-E354 IonicContact NH2-OE1 3.25Å; R243-E354 PolarHBondContact NH2-OE1 2.9Å; R243-E354 IonicContact NH2-OE2 3.8Å; R243-E354 PolarHBondContact NH2-OE2 2.67Å
355	L	83.8	Confident	87.6	Confident	96 Å²	96	70.8 Å²	70.8	50%	0.503	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	142	172.7	-69.9	170.1	0	0	0	110.4	A239 T240 P357	A239-L355 HydrophobicContact CB-CD2 4.36Å; T240-L355 HydrophobicContact CG2-CD2 4.12Å; L355-P357 WeakPolarHBondContact O-CD 3.5Å; L355-P357 VanDerWaalsContact O-N 3.1Å
356	D	81.4	Confident	87.4	Confident	22 Å²	22	79 Å²	79	12%	0.118	39%	0.385	C	S	.	.			trans	-53.6	115.3	175.6	177.4	-5.7	0	0	0	110.4	R234 A239 L241 A358 L359 L360	R234-D356 IonicContact CZ-OD2 2.75Å; R234-D356 VanDerWaalsContact CZ-OD2 3.22Å; R234-D356 IonicContact NH1-OD2 3.13Å; R234-D356 PolarHBondContact NH1-OD2 3.26Å; R234-D356 IonicContact NH2-OD2 2.81Å; R234-D356 PolarHBondContact NH2-OD2 3.01Å; A239-D356 PolarHBondContact O-N 3.14Å; L241-D356 HydrophobicContact CD2-CB 4.03Å; D356-A358 PolarHBondContact O-N 3.46Å; D356-A358 VanDerWaalsContact O-N 3.16Å; D356-A358 WeakPolarHBondContact OD1-CB 3.47Å; D356-A358 PolarHBondContact OD1-N 3.36Å; D356-L359 HydrophobicContact CB-CB 4.07Å; D356-L359 HydrophobicContact CB-CD1 4.01Å; D356-L359 HydrophobicContact CB-CG 3.99Å; D356-L359 CarbonylContact O-C 3.53Å; D356-L359 PolarHBondContact O-N 2.94Å; D356-L360 PolarHBondContact O-N 2.8Å
357	P	80.5	Confident	87.3	Confident	56 Å²	56	76.4 Å²	76.4	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-62.4	-26.1	-176.7	24.6	-33.7	0	0	0	112	L355 I361	L355-P357 WeakPolarHBondContact O-CD 3.5Å; L355-P357 VanDerWaalsContact O-N 3.1Å; P357-I361 WeakPolarHBondContact O-CB 3.39Å; P357-I361 WeakPolarHBondContact O-CD1 3.1Å; P357-I361 WeakPolarHBondContact O-CG1 2.98Å; P357-I361 PolarHBondContact O-N 2.77Å
358	A	80.5	Confident	87.1	Confident	65 Å²	65	81 Å²	81	54%	0.537	40%	0.399	S	S	.	.	H	α-helix	trans	-68.8	-41.3	173.3	0	0	0	0	0	111.6	D356 A362	D356-A358 PolarHBondContact O-N 3.46Å; D356-A358 VanDerWaalsContact O-N 3.16Å; D356-A358 WeakPolarHBondContact OD1-CB 3.47Å; D356-A358 PolarHBondContact OD1-N 3.36Å; A358-A362 VanDerWaalsContact O-CB 3.23Å; A358-A362 WeakPolarHBondContact O-CB 3.36Å; A358-A362 PolarHBondContact O-N 3.45Å
359	L	80.9	Confident	86.9	Confident	84 Å²	84	82.9 Å²	82.9	44%	0.44	41%	0.408	S	S	.	.	H	α-helix	trans	-71.3	-38.4	175	-65.6	-178.9	0	0	0	112.1	A239 D356 A362 R363	A239-L359 HydrophobicContact CB-CD1 3.87Å; D356-L359 HydrophobicContact CB-CB 4.07Å; D356-L359 HydrophobicContact CB-CD1 4.01Å; D356-L359 HydrophobicContact CB-CG 3.99Å; D356-L359 CarbonylContact O-C 3.53Å; D356-L359 PolarHBondContact O-N 2.94Å; L359-A362 PolarHBondContact O-N 2.89Å; L359-R363 WeakPolarHBondContact O-CB 3.49Å; L359-R363 PolarHBondContact O-N 2.89Å
360	L	82.4	Confident	86.7	Confident	75 Å²	75	88.9 Å²	88.9	39%	0.393	43%	0.434	S	S	.	.	H	α-helix	trans	-64.4	-46.6	175.5	-178.3	60.2	0	0	0	111	D356 A362 R363 L364	D356-L360 PolarHBondContact O-N 2.8Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.44Å; L360-R363 PolarHBondContact O-N 2.83Å; L360-L364 HydrophobicContact CD1-CD1 4.15Å; L360-L364 HydrophobicContact CD1-CG 4.25Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 HydrophobicContact CG-CG 4.5Å; L360-L364 WeakPolarHBondContact O-CB 3.19Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.19Å; L360-L364 PolarHBondContact O-N 2.88Å
361	I	85.9	Confident	86.5	Confident	86 Å²	86	89.2 Å²	89.2	44%	0.441	44%	0.436	S	S	.	.	H	α-helix	trans	-63.8	-39	174.5	-69.7	165.6	0	0	0	111	P357 R365	P357-I361 WeakPolarHBondContact O-CB 3.39Å; P357-I361 WeakPolarHBondContact O-CD1 3.1Å; P357-I361 WeakPolarHBondContact O-CG1 2.98Å; P357-I361 PolarHBondContact O-N 2.77Å; I361-R365 HydrophobicContact CG2-CG 4.36Å; I361-R365 VanDerWaalsContact O-CB 3.3Å; I361-R365 WeakPolarHBondContact O-CB 3.42Å; I361-R365 VanDerWaalsContact O-CG 3.22Å; I361-R365 WeakPolarHBondContact O-CG 3.39Å; I361-R365 PolarHBondContact O-N 2.91Å
362	A	84.6	Confident	85.9	Confident	46 Å²	46	90.9 Å²	90.9	38%	0.38	45%	0.446	S	S	.	.	H	α-helix	trans	-65.4	-39.8	175.6	0	0	0	0	0	112.5	A358 L359 L360 R366	A358-A362 VanDerWaalsContact O-CB 3.23Å; A358-A362 WeakPolarHBondContact O-CB 3.36Å; A358-A362 PolarHBondContact O-N 3.45Å; L359-A362 PolarHBondContact O-N 2.89Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.44Å; A362-R366 PolarHBondContact O-N 3.07Å; A362-R366 VanDerWaalsContact O-N 3.16Å
363	R	84.1	Confident	85.3	Confident	152 Å²	152	94.1 Å²	94.1	57%	0.574	46%	0.459	S	S	*	.	H	α-helix	trans	-63.2	-55.3	172.6	178	179.1	173.9	162.1	0.9	110.8	L359 L360 R365 R366 E367	L359-R363 WeakPolarHBondContact O-CB 3.49Å; L359-R363 PolarHBondContact O-N 2.89Å; L360-R363 PolarHBondContact O-N 2.83Å; R363-R365 VanDerWaalsContact C-N 3.26Å; R363-R365 PolarHBondContact O-N 2.88Å; R363-R366 WeakPolarHBondContact O-CA 3.06Å; R363-R366 WeakPolarHBondContact O-CB 3.2Å; R363-R366 PolarHBondContact O-N 2.74Å; R363-E367 IonicContact CZ-OE2 3.48Å; R363-E367 IonicContact NE-OE2 3.69Å; R363-E367 PolarHBondContact NE-OE2 3.4Å; R363-E367 VanDerWaalsContact NE-OE2 3.14Å; R363-E367 IonicContact NH2-OE2 2.71Å; R363-E367 WeakPolarHBondContact O-CB 3.47Å; R363-E367 PolarHBondContact O-N 3.04Å
364	L	87.6	Confident	84.8	Confident	86 Å²	86	94.8 Å²	94.8	45%	0.45	46%	0.463	S	S	.	.	H	α-helix	trans	-57.8	-37.7	-179.8	-71.1	170.8	0	0	0	112	L360 E367 I368	L360-L364 HydrophobicContact CD1-CD1 4.15Å; L360-L364 HydrophobicContact CD1-CG 4.25Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 HydrophobicContact CG-CG 4.5Å; L360-L364 WeakPolarHBondContact O-CB 3.19Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.19Å; L360-L364 PolarHBondContact O-N 2.88Å; L364-E367 PolarHBondContact O-N 2.83Å; L364-I368 VanDerWaalsContact O-CB 3.3Å; L364-I368 WeakPolarHBondContact O-CB 3.19Å; L364-I368 WeakPolarHBondContact O-CD1 3.22Å; L364-I368 WeakPolarHBondContact O-CG1 3.47Å; L364-I368 PolarHBondContact O-N 2.83Å
365	R	89.6	Confident	84.2	Confident	179 Å²	179	96.2 Å²	96.2	68%	0.675	47%	0.472	S	S	*	.	H	α-helix	trans	-64.3	-40.4	173.4	-77.8	174.9	177.9	-170.2	0.5	113	I361 R363 Q369	I361-R365 HydrophobicContact CG2-CG 4.36Å; I361-R365 VanDerWaalsContact O-CB 3.3Å; I361-R365 WeakPolarHBondContact O-CB 3.42Å; I361-R365 VanDerWaalsContact O-CG 3.22Å; I361-R365 WeakPolarHBondContact O-CG 3.39Å; I361-R365 PolarHBondContact O-N 2.91Å; R363-R365 VanDerWaalsContact C-N 3.26Å; R363-R365 PolarHBondContact O-N 2.88Å; R365-Q369 WeakPolarHBondContact O-CB 3.31Å; R365-Q369 PolarHBondContact O-N 2.81Å
366	R	88.3	Confident	83.6	Confident	175 Å²	175	94 Å²	94	66%	0.66	47%	0.468	S	S	*	.	H	α-helix	trans	-67.5	-39.2	174.9	-171.2	-174.8	-63	122.8	-0.6	111.6	A362 R363 Q369 F370	A362-R366 PolarHBondContact O-N 3.07Å; A362-R366 VanDerWaalsContact O-N 3.16Å; R363-R366 WeakPolarHBondContact O-CA 3.06Å; R363-R366 WeakPolarHBondContact O-CB 3.2Å; R363-R366 PolarHBondContact O-N 2.74Å; R366-Q369 PolarHBondContact O-N 2.86Å; R366-F370 WeakPolarHBondContact O-CB 3.46Å; R366-F370 PolarHBondContact O-N 2.82Å
367	E	89.6	Confident	83	Confident	90 Å²	90	98.4 Å²	98.4	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-68.7	-42.1	178.9	-143.3	155.6	149.1	0	0	110.7	R363 L364 F370 L371	R363-E367 IonicContact CZ-OE2 3.48Å; R363-E367 IonicContact NE-OE2 3.69Å; R363-E367 PolarHBondContact NE-OE2 3.4Å; R363-E367 VanDerWaalsContact NE-OE2 3.14Å; R363-E367 IonicContact NH2-OE2 2.71Å; R363-E367 WeakPolarHBondContact O-CB 3.47Å; R363-E367 PolarHBondContact O-N 3.04Å; L364-E367 PolarHBondContact O-N 2.83Å; E367-F370 PolarHBondContact O-N 2.95Å; E367-L371 WeakPolarHBondContact O-CB 3.45Å; E367-L371 VanDerWaalsContact O-CG 3.27Å; E367-L371 WeakPolarHBondContact O-CG 3.37Å; E367-L371 PolarHBondContact O-N 3.35Å
368	I	89.8	Confident	82.5	Confident	97 Å²	97	101.1 Å²	101.1	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-39.9	169.5	-71.6	164.1	0	0	0	111.5	L364 N372	L364-I368 VanDerWaalsContact O-CB 3.3Å; L364-I368 WeakPolarHBondContact O-CB 3.19Å; L364-I368 WeakPolarHBondContact O-CD1 3.22Å; L364-I368 WeakPolarHBondContact O-CG1 3.47Å; L364-I368 PolarHBondContact O-N 2.83Å; I368-N372 WeakPolarHBondContact CG2-ND2 3.3Å; I368-N372 WeakPolarHBondContact O-CB 3.22Å; I368-N372 VanDerWaalsContact O-CG 3.24Å; I368-N372 PolarHBondContact O-N 1.95Å; I368-N372 PolarHBondContact O-ND2 2.75Å
369	Q	87.3	Confident	81.7	Confident	113 Å²	113	101.8 Å²	101.8	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-50.2	175.3	179.3	178.3	-12.3	0	0	111	R365 R366 L371 N372 E373	R365-Q369 WeakPolarHBondContact O-CB 3.31Å; R365-Q369 PolarHBondContact O-N 2.81Å; R366-Q369 PolarHBondContact O-N 2.86Å; Q369-L371 PolarHBondContact O-N 3.22Å; Q369-N372 PolarHBondContact O-N 3.47Å; Q369-E373 VanDerWaalsContact CG-OE1 3.27Å; Q369-E373 WeakPolarHBondContact CG-OE1 3.43Å; Q369-E373 PolarHBondContact NE2-OE1 3.19Å; Q369-E373 WeakPolarHBondContact O-CG 3.44Å; Q369-E373 PolarHBondContact O-N 3.17Å
370	F	88.6	Confident	80.6	Confident	126 Å²	126	100.1 Å²	100.1	55%	0.553	51%	0.505	S	S	*	.	H	α-helix	trans	-57.7	-47.8	178.3	179.2	-91.6	0	0	0	111.8	R366 E367 N372 E373 E374	R366-F370 WeakPolarHBondContact O-CB 3.46Å; R366-F370 PolarHBondContact O-N 2.82Å; E367-F370 PolarHBondContact O-N 2.95Å; F370-N372 VanDerWaalsContact C-N 3.32Å; F370-N372 PolarHBondContact O-N 3.3Å; F370-E373 PolarHBondContact O-N 3.13Å; F370-E373 VanDerWaalsContact O-N 3.13Å; F370-E374 WeakPolarHBondContact CE1-OE2 3.31Å; F370-E374 WeakPolarHBondContact O-CB 3.49Å; F370-E374 PolarHBondContact O-N 3.37Å
371	L	87.9	Confident	79.1	Confident	86 Å²	86	104.2 Å²	104.2	45%	0.45	52%	0.523	S	S	.	.	H	α-helix	trans	-64.2	-33.7	177.6	-70.7	168.5	0	0	0	112.7	E367 Q369 L375	E367-L371 WeakPolarHBondContact O-CB 3.45Å; E367-L371 VanDerWaalsContact O-CG 3.27Å; E367-L371 WeakPolarHBondContact O-CG 3.37Å; E367-L371 PolarHBondContact O-N 3.35Å; Q369-L371 PolarHBondContact O-N 3.22Å; L371-L375 WeakPolarHBondContact O-CB 3.37Å; L371-L375 WeakPolarHBondContact O-CG 3.22Å; L371-L375 PolarHBondContact O-N 2.67Å
372	N	81.3	Confident	77.4	Confident	95 Å²	95	107.4 Å²	107.4	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-71.4	-33.2	173.1	-76.4	-46.2	0	0	0	112.5	I368 Q369 F370 A376	I368-N372 WeakPolarHBondContact CG2-ND2 3.3Å; I368-N372 WeakPolarHBondContact O-CB 3.22Å; I368-N372 VanDerWaalsContact O-CG 3.24Å; I368-N372 PolarHBondContact O-N 1.95Å; I368-N372 PolarHBondContact O-ND2 2.75Å; Q369-N372 PolarHBondContact O-N 3.47Å; F370-N372 VanDerWaalsContact C-N 3.32Å; F370-N372 PolarHBondContact O-N 3.3Å; N372-A376 VanDerWaalsContact O-CB 3.28Å; N372-A376 WeakPolarHBondContact O-CB 3.25Å; N372-A376 PolarHBondContact O-N 2.58Å
373	E	79.3	Confident	76	Confident	102 Å²	102	114.1 Å²	114.1	48%	0.477	55%	0.551	S	S	.	*	H	α-helix	trans	-71.4	-42.1	175.1	-72.8	170.3	-172	0	0	111.1	Q369 F370 A376 I377	Q369-E373 VanDerWaalsContact CG-OE1 3.27Å; Q369-E373 WeakPolarHBondContact CG-OE1 3.43Å; Q369-E373 PolarHBondContact NE2-OE1 3.19Å; Q369-E373 WeakPolarHBondContact O-CG 3.44Å; Q369-E373 PolarHBondContact O-N 3.17Å; F370-E373 PolarHBondContact O-N 3.13Å; F370-E373 VanDerWaalsContact O-N 3.13Å; E373-A376 PolarHBondContact O-N 2.85Å; E373-I377 WeakPolarHBondContact O-CD1 3.42Å; E373-I377 WeakPolarHBondContact O-CG1 3.41Å; E373-I377 PolarHBondContact O-N 3.21Å; E373-I377 VanDerWaalsContact O-N 3.17Å
374	E	80.8	Confident	74.5	Confident	94 Å²	94	116 Å²	116	44%	0.439	57%	0.567	S	S	.	*	H	α-helix	trans	-63.5	-46.8	172.2	-174.4	175.3	-167.7	0	0	111.6	F370 A376 I377 V378	F370-E374 WeakPolarHBondContact CE1-OE2 3.31Å; F370-E374 WeakPolarHBondContact O-CB 3.49Å; F370-E374 PolarHBondContact O-N 3.37Å; E374-A376 VanDerWaalsContact C-N 3.35Å; E374-A376 PolarHBondContact O-N 2.84Å; E374-I377 WeakPolarHBondContact O-CB 3.39Å; E374-I377 PolarHBondContact O-N 2.9Å; E374-I377 VanDerWaalsContact O-N 3.14Å; E374-V378 WeakPolarHBondContact O-CG2 3.24Å; E374-V378 PolarHBondContact O-N 2.9Å
375	L	74.5	Confident	73.1	Confident	95 Å²	95	119.3 Å²	119.3	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-60.2	-42.5	174.3	-77.7	170	0	0	0	111.7	L371 I377 V378 T379	L371-L375 WeakPolarHBondContact O-CB 3.37Å; L371-L375 WeakPolarHBondContact O-CG 3.22Å; L371-L375 PolarHBondContact O-N 2.67Å; L375-I377 PolarHBondContact O-N 3.35Å; L375-V378 PolarHBondContact O-N 3.04Å; L375-V378 VanDerWaalsContact O-N 3.11Å; L375-T379 HydrophobicContact CD2-CG2 4.39Å; L375-T379 WeakPolarHBondContact O-CB 3.31Å; L375-T379 WeakPolarHBondContact O-CG2 3.37Å; L375-T379 PolarHBondContact O-N 2.88Å; L375-T379 PolarHBondContact O-OG1 3.17Å
376	A	70.9	Confident	71.7	Confident	51 Å²	51	119.5 Å²	119.5	42%	0.421	59%	0.588	S	S	.	*	H	α-helix	trans	-62.1	-30.4	177.1	0	0	0	0	0	113.1	N372 E373 E374 G380	N372-A376 VanDerWaalsContact O-CB 3.28Å; N372-A376 WeakPolarHBondContact O-CB 3.25Å; N372-A376 PolarHBondContact O-N 2.58Å; E373-A376 PolarHBondContact O-N 2.85Å; E374-A376 VanDerWaalsContact C-N 3.35Å; E374-A376 PolarHBondContact O-N 2.84Å; A376-G380 PolarHBondContact O-N 3.26Å
377	I	69.5	Low	70.7	Confident	114 Å²	114	112.5 Å²	112.5	59%	0.585	56%	0.564	S	S	*	*	H	α-helix	trans	-72.9	-41.7	172.9	-67.3	163	0	0	0	111	E373 E374 L375 P416	E373-I377 WeakPolarHBondContact O-CD1 3.42Å; E373-I377 WeakPolarHBondContact O-CG1 3.41Å; E373-I377 PolarHBondContact O-N 3.21Å; E373-I377 VanDerWaalsContact O-N 3.17Å; E374-I377 WeakPolarHBondContact O-CB 3.39Å; E374-I377 PolarHBondContact O-N 2.9Å; E374-I377 VanDerWaalsContact O-N 3.14Å; L375-I377 PolarHBondContact O-N 3.35Å; I377-P416 HydrophobicContact CG1-CB 4.35Å
378	V	69.8	Low	70	Confident	113 Å²	113	111.8 Å²	111.8	69%	0.685	57%	0.565	S	S	*	*	H	α-helix	trans	-80.9	-38.7	-174.7	173.6	0	0	0	0	113.5	E374 L375	E374-V378 WeakPolarHBondContact O-CG2 3.24Å; E374-V378 PolarHBondContact O-N 2.9Å; L375-V378 PolarHBondContact O-N 3.04Å; L375-V378 VanDerWaalsContact O-N 3.11Å
379	T	63.9	Low	69.1	Low	79 Å²	79	111 Å²	111	49%	0.485	57%	0.574	S	S	.	*	H	α-helix	trans	-85	-21.2	179.9	66.5	0	0	0	0	112.9	L375 E381	L375-T379 HydrophobicContact CD2-CG2 4.39Å; L375-T379 WeakPolarHBondContact O-CB 3.31Å; L375-T379 WeakPolarHBondContact O-CG2 3.37Å; L375-T379 PolarHBondContact O-N 2.88Å; L375-T379 PolarHBondContact O-OG1 3.17Å; T379-E381 PolarHBondContact O-N 2.93Å; T379-E381 PolarHBondContact OG1-N 3.44Å
380	G	56.1	Low	68.4	Low	48 Å²	48	112.4 Å²	112.4	50%	0.495	58%	0.58	S	S	.	*			trans	66.7	21.7	-175.8	0	0	0	0	0	114.2	A376 Q382	A376-G380 PolarHBondContact O-N 3.26Å; G380-Q382 PolarHBondContact O-N 3.34Å; G380-Q382 VanDerWaalsContact O-N 3.08Å
381	E	51.2	Low	67.7	Low	161 Å²	161	108.9 Å²	108.9	75%	0.752	57%	0.566	S	S	*	*			trans	-60.3	112.3	-178.8	-82.8	-166.7	152.3	0	0	112.1	T379 R383	T379-E381 PolarHBondContact O-N 2.93Å; T379-E381 PolarHBondContact OG1-N 3.44Å; E381-R383 PolarHBondContact O-N 3.27Å
382	Q	50.3	Low	67.2	Low	154 Å²	154	107.9 Å²	107.9	72%	0.72	56%	0.56	S	S	*	*			trans	-74.2	121.8	-172.6	-62.3	179.8	1.4	0	0	111.7	G380 Q384	G380-Q382 PolarHBondContact O-N 3.34Å; G380-Q382 VanDerWaalsContact O-N 3.08Å; Q382-Q384 PolarHBondContact O-N 2.99Å
383	R	56.7	Low	67.1	Low	187 Å²	187	108.9 Å²	108.9	71%	0.706	56%	0.562	S	S	*	*			trans	-58.7	109.6	160.9	-71.6	-173.6	-175.8	-174	3.2	109	E381 E385 R419	E381-R383 PolarHBondContact O-N 3.27Å; R383-E385 PolarHBondContact O-N 3.08Å; R383-R419 PolarHBondContact O-NH1 2.91Å
384	Q	50.8	Low	67.2	Low	192 Å²	192	109.8 Å²	109.8	90%	0.897	56%	0.564	S	S	*	*			trans	-72.9	-12.4	-175.9	-64.2	-172.3	-1.1	0	0	114.1	Q382	Q382-Q384 PolarHBondContact O-N 2.99Å
385	E	59.9	Low	67.1	Low	154 Å²	154	105.9 Å²	105.9	72%	0.72	55%	0.546	S	S	*	.	S	Bend	trans	-67.9	138.5	174.5	-61.6	178.3	143.9	0	0	110.5	R383 R419	R383-E385 PolarHBondContact O-N 3.08Å; E385-R419 PolarHBondContact O-NH1 3.48Å
386	Q	59.4	Low	67.4	Low	184 Å²	184	102.8 Å²	102.8	86%	0.86	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-69.1	149.6	177.7	-67.8	178.5	-26.5	0	0	110.8	T388	Q386-T388 PolarHBondContact O-N 2.84Å
387	L	67.3	Low	68	Low	28 Å²	28	105 Å²	105	15%	0.147	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-56.1	136.9	173.6	-69.5	173.4	0	0	0	110.1	I392 L395 R419 K420 H423	L387-I392 HydrophobicContact CB-CD1 4.2Å; L387-I392 HydrophobicContact CB-CG1 3.99Å; L387-L395 HydrophobicContact CD1-CD1 4.26Å; L387-R419 HydrophobicContact CD1-CB 4.28Å; L387-R419 HydrophobicContact CD2-CB 4.4Å; L387-R419 HydrophobicContact CG-CB 4.32Å; L387-K420 HydrophobicContact CD1-CG 4.27Å; L387-K420 HydrophobicContact CD2-CD 4.44Å; L387-K420 HydrophobicContact CD2-CG 3.75Å; L387-H423 HydrophobicContact CD1-CB 4.17Å
388	T	75.1	Confident	68.6	Low	74 Å²	74	103.9 Å²	103.9	45%	0.454	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-71.3	156	-179.8	61.6	0	0	0	0	111.3	Q386 E390 E391 I392	Q386-T388 PolarHBondContact O-N 2.84Å; T388-E390 PolarHBondContact O-N 3.42Å; T388-E391 WeakPolarHBondContact CB-OE2 3.44Å; T388-E391 PolarHBondContact N-OE2 2.93Å; T388-E391 PolarHBondContact O-N 2.92Å; T388-E391 VanDerWaalsContact O-N 3.12Å; T388-E391 VanDerWaalsContact OG1-CG 3.22Å; T388-E391 WeakPolarHBondContact OG1-CG 3.31Å; T388-E391 PolarHBondContact OG1-N 3.26Å; T388-E391 PolarHBondContact OG1-OE2 2.91Å; T388-I392 WeakPolarHBondContact O-CG1 3.43Å; T388-I392 PolarHBondContact O-N 3.07Å
389	A	70.4	Confident	69.2	Low	82 Å²	82	98.5 Å²	98.5	68%	0.678	49%	0.494	S	S	*	.	H	α-helix	trans	-59.6	-36	-179.3	0	0	0	0	0	112.6	I392 Q393	A389-I392 PolarHBondContact O-N 2.78Å; A389-Q393 PolarHBondContact O-N 3.13Å
390	E	72.5	Confident	70	Confident	141 Å²	141	99.2 Å²	99.2	66%	0.659	49%	0.49	S	S	*	.	H	α-helix	trans	-68	-36.5	176	-63	178.7	-155.8	0	0	112.8	T388 K394	T388-E390 PolarHBondContact O-N 3.42Å; E390-K394 WeakPolarHBondContact O-CG 3.44Å; E390-K394 PolarHBondContact O-N 3.09Å; E390-K394 VanDerWaalsContact O-N 3.13Å
391	E	74.1	Confident	71.3	Confident	52 Å²	52	99.9 Å²	99.9	24%	0.243	49%	0.491	C	S	.	.	H	α-helix	trans	-67.9	-43.1	172.6	-72.2	171.1	114.3	0	0	111.1	T388 Q393 K394 L395 K420	T388-E391 WeakPolarHBondContact CB-OE2 3.44Å; T388-E391 PolarHBondContact N-OE2 2.93Å; T388-E391 PolarHBondContact O-N 2.92Å; T388-E391 VanDerWaalsContact O-N 3.12Å; T388-E391 VanDerWaalsContact OG1-CG 3.22Å; T388-E391 WeakPolarHBondContact OG1-CG 3.31Å; T388-E391 PolarHBondContact OG1-N 3.26Å; T388-E391 PolarHBondContact OG1-OE2 2.91Å; E391-Q393 VanDerWaalsContact C-N 3.34Å; E391-Q393 PolarHBondContact O-N 3.44Å; E391-K394 PolarHBondContact O-N 3.49Å; E391-L395 WeakPolarHBondContact O-CB 3.47Å; E391-L395 WeakPolarHBondContact O-CD1 3.27Å; E391-L395 WeakPolarHBondContact O-CG 3.34Å; E391-L395 PolarHBondContact O-N 3.1Å; E391-K420 WeakPolarHBondContact OE1-CE 3.44Å; E391-K420 IonicContact OE1-NZ 2.67Å; E391-K420 PolarHBondContact OE1-NZ 2.86Å
392	I	77.3	Confident	72.8	Confident	65 Å²	65	95 Å²	95	33%	0.333	47%	0.468	S	S	.	.	H	α-helix	trans	-59.7	-44	176.9	-72.3	167.6	0	0	0	111	L387 T388 A389 L395 D396	L387-I392 HydrophobicContact CB-CD1 4.2Å; L387-I392 HydrophobicContact CB-CG1 3.99Å; T388-I392 WeakPolarHBondContact O-CG1 3.43Å; T388-I392 PolarHBondContact O-N 3.07Å; A389-I392 PolarHBondContact O-N 2.78Å; I392-L395 PolarHBondContact O-N 2.99Å; I392-D396 PolarHBondContact O-N 3.12Å
393	Q	78.9	Confident	74.1	Confident	117 Å²	117	90.4 Å²	90.4	55%	0.547	45%	0.447	S	S	.	.	H	α-helix	trans	-61.6	-49.5	176.2	-179.7	177.3	-19.9	0	0	111.8	A389 E391 L395 D396 E397	A389-Q393 PolarHBondContact O-N 3.13Å; E391-Q393 VanDerWaalsContact C-N 3.34Å; E391-Q393 PolarHBondContact O-N 3.44Å; Q393-L395 VanDerWaalsContact C-N 3.25Å; Q393-L395 PolarHBondContact O-N 2.94Å; Q393-D396 PolarHBondContact O-N 3.4Å; Q393-D396 VanDerWaalsContact O-N 3.11Å; Q393-E397 VanDerWaalsContact CG-OE1 3.32Å; Q393-E397 WeakPolarHBondContact CG-OE1 3.33Å; Q393-E397 PolarHBondContact NE2-OE1 2.77Å; Q393-E397 WeakPolarHBondContact O-CG 3.46Å; Q393-E397 PolarHBondContact O-N 2.77Å
394	K	81.3	Confident	75.1	Confident	121 Å²	121	88 Å²	88	53%	0.526	45%	0.449	S	S	.	.	H	α-helix	trans	-60.9	-33.5	179	-73.8	168.1	-179.1	164.9	0	112.5	E390 E391 L398	E390-K394 WeakPolarHBondContact O-CG 3.44Å; E390-K394 PolarHBondContact O-N 3.09Å; E390-K394 VanDerWaalsContact O-N 3.13Å; E391-K394 PolarHBondContact O-N 3.49Å; K394-L398 WeakPolarHBondContact O-CB 3.49Å; K394-L398 VanDerWaalsContact O-CG 3.24Å; K394-L398 WeakPolarHBondContact O-CG 3.36Å; K394-L398 PolarHBondContact O-N 3.02Å
395	L	80.1	Confident	76.3	Confident	11 Å²	11	82.7 Å²	82.7	6%	0.058	43%	0.426	C	S	.	.	H	α-helix	trans	-71.5	-37.2	175.3	-66.8	165.6	0	0	0	112.4	L387 E391 I392 Q393 V399 L414 K420	L387-L395 HydrophobicContact CD1-CD1 4.26Å; E391-L395 WeakPolarHBondContact O-CB 3.47Å; E391-L395 WeakPolarHBondContact O-CD1 3.27Å; E391-L395 WeakPolarHBondContact O-CG 3.34Å; E391-L395 PolarHBondContact O-N 3.1Å; I392-L395 PolarHBondContact O-N 2.99Å; Q393-L395 VanDerWaalsContact C-N 3.25Å; Q393-L395 PolarHBondContact O-N 2.94Å; L395-V399 WeakPolarHBondContact O-CB 3.39Å; L395-V399 VanDerWaalsContact O-CG2 3.24Å; L395-V399 WeakPolarHBondContact O-CG2 3.44Å; L395-V399 PolarHBondContact O-N 3.24Å; L395-L414 HydrophobicContact CD2-CD2 3.83Å; L395-K420 HydrophobicContact CD1-CB 3.92Å; L395-K420 HydrophobicContact CD1-CD 4.33Å; L395-K420 HydrophobicContact CD1-CG 3.88Å; L395-K420 HydrophobicContact CD2-CB 4Å; L395-K420 HydrophobicContact CD2-CD 4.43Å; L395-K420 HydrophobicContact CD2-CG 4.46Å
396	D	80.4	Confident	76.7	Confident	30 Å²	30	81.4 Å²	81.4	16%	0.16	43%	0.432	C	S	.	.	H	α-helix	trans	-69.5	-35.4	174.4	-171.3	71.3	0	0	0	111.7	I392 Q393 K400 L427 R430	I392-D396 PolarHBondContact O-N 3.12Å; Q393-D396 PolarHBondContact O-N 3.4Å; Q393-D396 VanDerWaalsContact O-N 3.11Å; D396-K400 WeakPolarHBondContact O-CB 3.4Å; D396-K400 VanDerWaalsContact O-CD 3.31Å; D396-K400 WeakPolarHBondContact O-CD 3.42Å; D396-K400 WeakPolarHBondContact O-CG 3.35Å; D396-K400 PolarHBondContact O-N 2.82Å; D396-K400 WeakPolarHBondContact OD2-CE 3.35Å; D396-K400 IonicContact OD2-NZ 2.62Å; D396-K400 PolarHBondContact OD2-NZ 3.06Å; D396-L427 HydrophobicContact CB-CD1 3.94Å; D396-R430 IonicContact OD1-NH2 3.27Å; D396-R430 PolarHBondContact OD1-NH2 2.86Å
397	E	82.6	Confident	77.3	Confident	98 Å²	98	76.8 Å²	76.8	46%	0.458	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-48.8	171	-72.2	167.5	-172.9	0	0	112.1	Q393 K400 A401	Q393-E397 VanDerWaalsContact CG-OE1 3.32Å; Q393-E397 WeakPolarHBondContact CG-OE1 3.33Å; Q393-E397 PolarHBondContact NE2-OE1 2.77Å; Q393-E397 WeakPolarHBondContact O-CG 3.46Å; Q393-E397 PolarHBondContact O-N 2.77Å; E397-K400 PolarHBondContact O-N 3.49Å; E397-A401 PolarHBondContact O-N 3.46Å
398	L	82.3	Confident	77.4	Confident	90 Å²	90	81.1 Å²	81.1	47%	0.471	44%	0.442	S	S	.	.	H	α-helix	trans	-63.7	-41.4	177.7	-74.4	168.6	0	0	0	112.8	K394 K400 A401 F402 L412	K394-L398 WeakPolarHBondContact O-CB 3.49Å; K394-L398 VanDerWaalsContact O-CG 3.24Å; K394-L398 WeakPolarHBondContact O-CG 3.36Å; K394-L398 PolarHBondContact O-N 3.02Å; L398-K400 VanDerWaalsContact C-N 3.33Å; L398-A401 PolarHBondContact O-N 3.49Å; L398-F402 WeakPolarHBondContact O-CB 3.23Å; L398-F402 PolarHBondContact O-N 3.29Å; L398-L412 HydrophobicContact CB-CD1 4.27Å
399	V	83.2	Confident	77.2	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-66.3	-35.8	176.1	167.4	0	0	0	0	111.4	L395 L403 L412 C424 L427 M428 L431	L395-V399 WeakPolarHBondContact O-CB 3.39Å; L395-V399 VanDerWaalsContact O-CG2 3.24Å; L395-V399 WeakPolarHBondContact O-CG2 3.44Å; L395-V399 PolarHBondContact O-N 3.24Å; V399-L403 HydrophobicContact CG1-CD1 3.84Å; V399-L403 HydrophobicContact CG1-CG 4.42Å; V399-L403 WeakPolarHBondContact O-CB 3.43Å; V399-L403 VanDerWaalsContact O-CG 3.25Å; V399-L403 WeakPolarHBondContact O-CG 3.49Å; V399-L403 PolarHBondContact O-N 3.02Å; V399-L412 HydrophobicContact CG2-CD2 4.08Å; V399-C424 HydrophobicContact CG2-CB 3.66Å; V399-C424 VanDerWaalsContact CG2-SG 3.6Å; V399-L427 HydrophobicContact CG1-CB 4.19Å; V399-M428 HydrophobicContact CG1-CG 3.66Å; V399-L431 HydrophobicContact CG1-CD1 4.23Å
400	K	81.2	Confident	77.5	Confident	94 Å²	94	82.7 Å²	82.7	41%	0.409	44%	0.439	S	S	.	.	H	α-helix	trans	-69.2	-41.1	174.2	-76.8	165.8	178.4	167	0	112.5	D396 E397 L398 L403 N404	D396-K400 WeakPolarHBondContact O-CB 3.4Å; D396-K400 VanDerWaalsContact O-CD 3.31Å; D396-K400 WeakPolarHBondContact O-CD 3.42Å; D396-K400 WeakPolarHBondContact O-CG 3.35Å; D396-K400 PolarHBondContact O-N 2.82Å; D396-K400 WeakPolarHBondContact OD2-CE 3.35Å; D396-K400 IonicContact OD2-NZ 2.62Å; D396-K400 PolarHBondContact OD2-NZ 3.06Å; E397-K400 PolarHBondContact O-N 3.49Å; L398-K400 VanDerWaalsContact C-N 3.33Å; K400-L403 PolarHBondContact O-N 2.91Å; K400-N404 WeakPolarHBondContact O-CB 3.4Å; K400-N404 PolarHBondContact O-N 2.66Å; K400-N404 VanDerWaalsContact O-N 3.15Å; K400-N404 PolarHBondContact O-ND2 2.85Å; K400-N404 VanDerWaalsContact O-ND2 3.12Å
401	A	81.9	Confident	77.6	Confident	62 Å²	62	81.4 Å²	81.4	51%	0.512	44%	0.44	S	S	.	.	H	α-helix	trans	-59.1	-51.8	174.3	0	0	0	0	0	110.4	E397 L398 L403 N404 D405	E397-A401 PolarHBondContact O-N 3.46Å; L398-A401 PolarHBondContact O-N 3.49Å; A401-L403 VanDerWaalsContact C-N 3.33Å; A401-L403 PolarHBondContact O-N 2.97Å; A401-N404 PolarHBondContact O-N 3.15Å; A401-N404 VanDerWaalsContact O-N 3.09Å; A401-D405 PolarHBondContact O-N 3.17Å; A401-D405 VanDerWaalsContact O-N 3.16Å
402	F	82.3	Confident	77.7	Confident	60 Å²	60	81.1 Å²	81.1	26%	0.263	44%	0.44	S	S	.	.	H	α-helix	trans	-57.4	-38.3	177.4	179.8	-88.4	0	0	0	114.1	L398 N404 V410 L412 M428	L398-F402 WeakPolarHBondContact O-CB 3.23Å; L398-F402 PolarHBondContact O-N 3.29Å; F402-N404 VanDerWaalsContact C-N 3.34Å; F402-V410 HydrophobicContact CD2-CG1 3.96Å; F402-V410 HydrophobicContact CE2-CG1 4.29Å; F402-V410 VanDerWaalsContact CE2-O 3.32Å; F402-V410 WeakPolarHBondContact CE2-O 3.47Å; F402-L412 HydrophobicContact CB-CD1 4.01Å; F402-L412 HydrophobicContact CD2-CB 3.69Å; F402-L412 HydrophobicContact CD2-CD1 4.28Å; F402-L412 HydrophobicContact CD2-CG 4.46Å; F402-L412 HydrophobicContact CE2-CB 3.81Å; F402-L412 HydrophobicContact CG-CB 4.23Å; F402-L412 HydrophobicContact CG-CD1 4.24Å; F402-L412 HydrophobicContact CZ-CB 4.47Å; F402-M428 HydrophobicContact CD1-CE 4.14Å; F402-M428 HydrophobicContact CE1-CE 3.74Å
403	L	78.7	Confident	77.6	Confident	56 Å²	56	83.1 Å²	83.1	29%	0.293	46%	0.46	S	S	.	.	H	α-helix	trans	-80.5	-11.2	178.9	-71.8	174.2	0	0	0	114.3	V399 K400 A401 M428 L431 L432	V399-L403 HydrophobicContact CG1-CD1 3.84Å; V399-L403 HydrophobicContact CG1-CG 4.42Å; V399-L403 WeakPolarHBondContact O-CB 3.43Å; V399-L403 VanDerWaalsContact O-CG 3.25Å; V399-L403 WeakPolarHBondContact O-CG 3.49Å; V399-L403 PolarHBondContact O-N 3.02Å; K400-L403 PolarHBondContact O-N 2.91Å; A401-L403 VanDerWaalsContact C-N 3.33Å; A401-L403 PolarHBondContact O-N 2.97Å; L403-M428 HydrophobicContact CD1-CG 4.37Å; L403-M428 HydrophobicContact CD2-CE 4.08Å; L403-L431 HydrophobicContact CD1-CB 4.19Å; L403-L431 HydrophobicContact CD1-CD1 3.76Å; L403-L432 HydrophobicContact CD2-CD1 4.22Å; L403-L432 HydrophobicContact CD2-CD2 4.28Å; L403-L432 HydrophobicContact CD2-CG 4.47Å
404	N	77.1	Confident	77	Confident	137 Å²	137	79.1 Å²	79.1	73%	0.733	44%	0.442	S	S	*	.	H	α-helix	trans	-104.1	-6.6	178.4	-70.3	-23	0	0	0	112.8	K400 A401 F402	K400-N404 WeakPolarHBondContact O-CB 3.4Å; K400-N404 PolarHBondContact O-N 2.66Å; K400-N404 VanDerWaalsContact O-N 3.15Å; K400-N404 PolarHBondContact O-ND2 2.85Å; K400-N404 VanDerWaalsContact O-ND2 3.12Å; A401-N404 PolarHBondContact O-N 3.15Å; A401-N404 VanDerWaalsContact O-N 3.09Å; F402-N404 VanDerWaalsContact C-N 3.34Å
405	D	76.9	Confident	76.2	Confident	80 Å²	80	75.7 Å²	75.7	43%	0.428	44%	0.441	S	S	.	.			trans	-79.3	129.7	178.1	-153.8	-51.9	0	0	0	110.4	A401 D407	A401-D405 PolarHBondContact O-N 3.17Å; A401-D405 VanDerWaalsContact O-N 3.16Å; D405-D407 VanDerWaalsContact C-N 3.32Å; D405-D407 WeakPolarHBondContact OD1-CB 3.3Å; D405-D407 PolarHBondContact OD1-N 2.91Å
406	P	67.5	Low	75.2	Confident	128 Å²	128	80.3 Å²	80.3	83%	0.831	47%	0.472	S	S	*	.			trans	-78.4	-9.5	177.2	32.1	-37.1	0	0	0	114.4
407	D	72.4	Confident	74.7	Confident	86 Å²	86	80.7 Å²	80.7	46%	0.46	47%	0.474	S	S	.	.			trans	-83.2	118.9	-179.2	-177.5	-11.6	0	0	0	111.8	D405 D409 V410	D405-D407 VanDerWaalsContact C-N 3.32Å; D405-D407 WeakPolarHBondContact OD1-CB 3.3Å; D405-D407 PolarHBondContact OD1-N 2.91Å; D407-D409 VanDerWaalsContact C-N 3.31Å; D407-D409 PolarHBondContact O-N 2.84Å; D407-D409 PolarHBondContact OD1-N 2.81Å; D407-V410 HydrophobicContact CB-CG2 3.77Å
408	P	68.4	Low	74	Confident	119 Å²	119	81 Å²	81	77%	0.773	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.1	-177.5	31.4	-37.4	0	0	0	115
409	D	71.5	Confident	73.4	Confident	140 Å²	140	79.3 Å²	79.3	75%	0.749	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.4	-178.4	-75.9	-25.4	0	0	0	113	D407	D407-D409 VanDerWaalsContact C-N 3.31Å; D407-D409 PolarHBondContact O-N 2.84Å; D407-D409 PolarHBondContact OD1-N 2.81Å
410	V	77.5	Confident	73	Confident	50 Å²	50	81.5 Å²	81.5	30%	0.303	47%	0.474	S	S	.	.			trans	-62.4	137.2	175.6	171.8	0	0	0	0	111.1	F402 D407	F402-V410 HydrophobicContact CD2-CG1 3.96Å; F402-V410 HydrophobicContact CE2-CG1 4.29Å; F402-V410 VanDerWaalsContact CE2-O 3.32Å; F402-V410 WeakPolarHBondContact CE2-O 3.47Å; D407-V410 HydrophobicContact CB-CG2 3.77Å
411	T	73.3	Confident	72.8	Confident	113 Å²	113	79.2 Å²	79.2	69%	0.693	47%	0.465	S	S	*	.			trans	-120.5	125.6	-175.2	48.7	0	0	0	0	113.5	S413	T411-S413 PolarHBondContact O-N 2.81Å
412	L	77.8	Confident	72.5	Confident	47 Å²	47	81.7 Å²	81.7	25%	0.246	47%	0.466	C	S	.	.			trans	-78.6	90.4	-179	-171.3	64.7	0	0	0	111.7	L398 V399 F402 L414 C424	L398-L412 HydrophobicContact CB-CD1 4.27Å; V399-L412 HydrophobicContact CG2-CD2 4.08Å; F402-L412 HydrophobicContact CB-CD1 4.01Å; F402-L412 HydrophobicContact CD2-CB 3.69Å; F402-L412 HydrophobicContact CD2-CD1 4.28Å; F402-L412 HydrophobicContact CD2-CG 4.46Å; F402-L412 HydrophobicContact CE2-CB 3.81Å; F402-L412 HydrophobicContact CG-CB 4.23Å; F402-L412 HydrophobicContact CG-CD1 4.24Å; F402-L412 HydrophobicContact CZ-CB 4.47Å; L412-L414 HydrophobicContact CD1-CD2 4.12Å; L412-L414 HydrophobicContact CD2-CD1 3.99Å; L412-L414 HydrophobicContact CD2-CD2 4.11Å; L412-L414 HydrophobicContact CD2-CG 4.18Å; L412-L414 HydrophobicContact CG-CD1 4.24Å; L412-L414 HydrophobicContact CG-CD2 3.75Å; L412-L414 HydrophobicContact CG-CG 3.88Å; L412-L414 PolarHBondContact O-N 3.01Å; L412-L414 VanDerWaalsContact O-N 3.1Å; L412-C424 HydrophobicContact CD2-CB 4.24Å
413	S	73.9	Confident	72.3	Confident	106 Å²	106	81 Å²	81	74%	0.741	46%	0.463	S	S	*	.			trans	-76.3	91	-178	-67.9	0	0	0	0	113.1	T411	T411-S413 PolarHBondContact O-N 2.81Å
414	L	66.8	Low	72.4	Confident	33 Å²	33	78.4 Å²	78.4	17%	0.173	45%	0.45	C	S	.	.			trans	-94.5	-7.6	-176.9	-59.4	179.9	0	0	0	115.6	L395 L412 I421 C424	L395-L414 HydrophobicContact CD2-CD2 3.83Å; L412-L414 HydrophobicContact CD1-CD2 4.12Å; L412-L414 HydrophobicContact CD2-CD1 3.99Å; L412-L414 HydrophobicContact CD2-CD2 4.11Å; L412-L414 HydrophobicContact CD2-CG 4.18Å; L412-L414 HydrophobicContact CG-CD1 4.24Å; L412-L414 HydrophobicContact CG-CD2 3.75Å; L412-L414 HydrophobicContact CG-CG 3.88Å; L412-L414 PolarHBondContact O-N 3.01Å; L412-L414 VanDerWaalsContact O-N 3.1Å; L414-I421 HydrophobicContact CB-CG1 4.15Å; L414-I421 HydrophobicContact CD1-CB 4.45Å; L414-I421 HydrophobicContact CD1-CG1 4.1Å; L414-C424 HydrophobicContact CD1-CB 3.63Å; L414-C424 VanDerWaalsContact CD1-SG 3.55Å
415	G	65.3	Low	72.5	Confident	49 Å²	49	78.5 Å²	78.5	51%	0.505	44%	0.444	S	S	.	.			trans	70.8	-175.4	-169.7	0	0	0	0	0	113.4	D417	G415-D417 PolarHBondContact O-N 2.86Å
416	P	59	Low	72.7	Confident	109 Å²	109	80.8 Å²	80.8	71%	0.708	45%	0.451	S	S	*	.	S	Bend	trans	-77.5	1.1	-173.4	31.4	-36.4	0	0	0	114.7	I377 M418	I377-P416 HydrophobicContact CG1-CB 4.35Å; P416-M418 PolarHBondContact O-N 3.27Å
417	D	69	Low	73.3	Confident	37 Å²	37	74.9 Å²	74.9	20%	0.198	41%	0.412	C	S	.	.			trans	-77.4	96.6	-177.1	-170.9	-13.7	0	0	0	111.4	G415 R419 K420 I421	G415-D417 PolarHBondContact O-N 2.86Å; D417-R419 PolarHBondContact O-N 2.82Å; D417-R419 VanDerWaalsContact OD1-CB 3.25Å; D417-R419 WeakPolarHBondContact OD1-CB 3.48Å; D417-R419 WeakPolarHBondContact OD1-CG 3.41Å; D417-R419 IonicContact OD1-CZ 2.68Å; D417-R419 PolarHBondContact OD1-N 2.77Å; D417-R419 IonicContact OD1-NE 2.76Å; D417-R419 PolarHBondContact OD1-NE 3.07Å; D417-R419 IonicContact OD1-NH2 2.75Å; D417-R419 IonicContact OD2-CZ 3.6Å; D417-R419 IonicContact OD2-NE 3.23Å; D417-R419 PolarHBondContact OD2-NE 2.81Å; D417-R419 IonicContact OD2-NH2 3.41Å; D417-R419 PolarHBondContact OD2-NH2 2.92Å; D417-K420 HydrophobicContact CB-CB 4.28Å; D417-K420 HydrophobicContact CB-CD 3.94Å; D417-K420 HydrophobicContact CB-CG 3.86Å; D417-K420 WeakPolarHBondContact O-CA 3.39Å; D417-K420 WeakPolarHBondContact O-CB 3.4Å; D417-K420 PolarHBondContact O-N 3.2Å; D417-K420 VanDerWaalsContact OD2-CE 3.3Å; D417-K420 WeakPolarHBondContact OD2-CE 3.21Å; D417-I421 PolarHBondContact O-N 2.83Å; D417-I421 VanDerWaalsContact O-N 3.14Å
418	M	68.2	Low	73.5	Confident	106 Å²	106	72.5 Å²	72.5	52%	0.522	40%	0.399	S	S	.	.	H	α-helix	trans	-48.9	-28	176.5	-172.7	57.3	61.1	0	0	113.7	P416 Q422	P416-M418 PolarHBondContact O-N 3.27Å; M418-Q422 WeakPolarHBondContact O-CB 3.35Å; M418-Q422 WeakPolarHBondContact O-CG 3.36Å; M418-Q422 PolarHBondContact O-N 2.9Å
419	R	70	Confident	73.9	Confident	53 Å²	53	73.1 Å²	73.1	20%	0.2	39%	0.389	C	S	.	.	H	α-helix	trans	-73.7	-36.3	179	-51.8	166.4	-58.7	154.6	19.1	111.1	R383 E385 L387 D417 H423	R383-R419 PolarHBondContact O-NH1 2.91Å; E385-R419 PolarHBondContact O-NH1 3.48Å; L387-R419 HydrophobicContact CD1-CB 4.28Å; L387-R419 HydrophobicContact CD2-CB 4.4Å; L387-R419 HydrophobicContact CG-CB 4.32Å; D417-R419 PolarHBondContact O-N 2.82Å; D417-R419 VanDerWaalsContact OD1-CB 3.25Å; D417-R419 WeakPolarHBondContact OD1-CB 3.48Å; D417-R419 WeakPolarHBondContact OD1-CG 3.41Å; D417-R419 IonicContact OD1-CZ 2.68Å; D417-R419 PolarHBondContact OD1-N 2.77Å; D417-R419 IonicContact OD1-NE 2.76Å; D417-R419 PolarHBondContact OD1-NE 3.07Å; D417-R419 IonicContact OD1-NH2 2.75Å; D417-R419 IonicContact OD2-CZ 3.6Å; D417-R419 IonicContact OD2-NE 3.23Å; D417-R419 PolarHBondContact OD2-NE 2.81Å; D417-R419 IonicContact OD2-NH2 3.41Å; D417-R419 PolarHBondContact OD2-NH2 2.92Å; R419-H423 WeakPolarHBondContact O-CB 3.47Å; R419-H423 PolarHBondContact O-N 2.86Å
420	K	75.3	Confident	74.2	Confident	47 Å²	47	72.8 Å²	72.8	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-69.3	-41.8	174.3	-59.1	-172.7	-178.5	-175.8	0	110.6	L387 E391 L395 D417 H423 C424	L387-K420 HydrophobicContact CD1-CG 4.27Å; L387-K420 HydrophobicContact CD2-CD 4.44Å; L387-K420 HydrophobicContact CD2-CG 3.75Å; E391-K420 WeakPolarHBondContact OE1-CE 3.44Å; E391-K420 IonicContact OE1-NZ 2.67Å; E391-K420 PolarHBondContact OE1-NZ 2.86Å; L395-K420 HydrophobicContact CD1-CB 3.92Å; L395-K420 HydrophobicContact CD1-CD 4.33Å; L395-K420 HydrophobicContact CD1-CG 3.88Å; L395-K420 HydrophobicContact CD2-CB 4Å; L395-K420 HydrophobicContact CD2-CD 4.43Å; L395-K420 HydrophobicContact CD2-CG 4.46Å; D417-K420 HydrophobicContact CB-CB 4.28Å; D417-K420 HydrophobicContact CB-CD 3.94Å; D417-K420 HydrophobicContact CB-CG 3.86Å; D417-K420 WeakPolarHBondContact O-CA 3.39Å; D417-K420 WeakPolarHBondContact O-CB 3.4Å; D417-K420 PolarHBondContact O-N 3.2Å; D417-K420 VanDerWaalsContact OD2-CE 3.3Å; D417-K420 WeakPolarHBondContact OD2-CE 3.21Å; K420-H423 PolarHBondContact O-N 3.38Å; K420-C424 WeakPolarHBondContact O-CB 3.47Å; K420-C424 PolarHBondContact O-N 3.03Å; K420-C424 PolarHBondContact O-SG 3.14Å
421	I	76.8	Confident	74	Confident	45 Å²	45	73.1 Å²	73.1	23%	0.231	38%	0.377	C	S	.	.	H	α-helix	trans	-57.8	-52.3	172.7	-62.1	172.8	0	0	0	110.6	L414 D417 H423 C424 F425	L414-I421 HydrophobicContact CB-CG1 4.15Å; L414-I421 HydrophobicContact CD1-CB 4.45Å; L414-I421 HydrophobicContact CD1-CG1 4.1Å; D417-I421 PolarHBondContact O-N 2.83Å; D417-I421 VanDerWaalsContact O-N 3.14Å; I421-H423 VanDerWaalsContact C-N 3.34Å; I421-H423 PolarHBondContact O-N 3.08Å; I421-C424 PolarHBondContact O-N 3.38Å; I421-F425 HydrophobicContact CG2-CD2 3.76Å; I421-F425 HydrophobicContact CG2-CE2 3.61Å; I421-F425 VanDerWaalsContact O-CD2 3.29Å; I421-F425 WeakPolarHBondContact O-CD2 3.37Å; I421-F425 PolarHBondContact O-N 2.88Å
422	Q	74.3	Confident	73.8	Confident	115 Å²	115	70.9 Å²	70.9	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-40.6	176.6	-74.8	172.3	9	0	0	112.9	M418 F425 F426	M418-Q422 WeakPolarHBondContact O-CB 3.35Å; M418-Q422 WeakPolarHBondContact O-CG 3.36Å; M418-Q422 PolarHBondContact O-N 2.9Å; Q422-F425 PolarHBondContact O-N 3.05Å; Q422-F426 WeakPolarHBondContact O-CB 3.39Å; Q422-F426 PolarHBondContact O-N 3.45Å
423	H	78.6	Confident	73.3	Confident	44 Å²	44	74.4 Å²	74.4	20%	0.204	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-43.4	177.2	-165.9	78.4	0	0	0	111.8	L387 R419 K420 I421 F426 L427	L387-H423 HydrophobicContact CD1-CB 4.17Å; R419-H423 WeakPolarHBondContact O-CB 3.47Å; R419-H423 PolarHBondContact O-N 2.86Å; K420-H423 PolarHBondContact O-N 3.38Å; I421-H423 VanDerWaalsContact C-N 3.34Å; I421-H423 PolarHBondContact O-N 3.08Å; H423-F426 WeakPolarHBondContact O-CB 3.42Å; H423-F426 PolarHBondContact O-N 2.99Å; H423-L427 WeakPolarHBondContact O-CG 3.4Å; H423-L427 PolarHBondContact O-N 3.09Å
424	C	80.4	Confident	72.7	Confident	2 Å²	2	73 Å²	73	1%	0.014	36%	0.363	C	S	.	.	H	α-helix	trans	-63.1	-43.8	176.2	-66.7	0	0	0	0	112	V399 L412 L414 K420 I421 F426 L427 M428	V399-C424 HydrophobicContact CG2-CB 3.66Å; V399-C424 VanDerWaalsContact CG2-SG 3.6Å; L412-C424 HydrophobicContact CD2-CB 4.24Å; L414-C424 HydrophobicContact CD1-CB 3.63Å; L414-C424 VanDerWaalsContact CD1-SG 3.55Å; K420-C424 WeakPolarHBondContact O-CB 3.47Å; K420-C424 PolarHBondContact O-N 3.03Å; K420-C424 PolarHBondContact O-SG 3.14Å; I421-C424 PolarHBondContact O-N 3.38Å; C424-F426 VanDerWaalsContact C-N 3.29Å; C424-F426 PolarHBondContact O-N 3.24Å; C424-L427 PolarHBondContact O-N 3.27Å; C424-M428 WeakPolarHBondContact O-CB 3.42Å; C424-M428 VanDerWaalsContact O-CG 3.32Å; C424-M428 WeakPolarHBondContact O-CG 3.36Å; C424-M428 PolarHBondContact O-N 3.4Å
425	F	80	Confident	72.3	Confident	139 Å²	139	75.9 Å²	75.9	61%	0.61	38%	0.377	S	S	*	.	H	α-helix	trans	-62.1	-35	173.5	-80.8	-61.7	0	0	0	112.9	I421 Q422 K429	I421-F425 HydrophobicContact CG2-CD2 3.76Å; I421-F425 HydrophobicContact CG2-CE2 3.61Å; I421-F425 VanDerWaalsContact O-CD2 3.29Å; I421-F425 WeakPolarHBondContact O-CD2 3.37Å; I421-F425 PolarHBondContact O-N 2.88Å; Q422-F425 PolarHBondContact O-N 3.05Å; F425-K429 WeakPolarHBondContact O-CB 3.3Å; F425-K429 PolarHBondContact O-N 2.77Å
426	F	80.4	Confident	71.9	Confident	128 Å²	128	81 Å²	81	56%	0.561	39%	0.386	S	S	*	.	H	α-helix	trans	-65.7	-43.9	172.4	177.6	-94.6	0	0	0	112.1	Q422 H423 C424 K429 R430	Q422-F426 WeakPolarHBondContact O-CB 3.39Å; Q422-F426 PolarHBondContact O-N 3.45Å; H423-F426 WeakPolarHBondContact O-CB 3.42Å; H423-F426 PolarHBondContact O-N 2.99Å; C424-F426 VanDerWaalsContact C-N 3.29Å; C424-F426 PolarHBondContact O-N 3.24Å; F426-K429 PolarHBondContact O-N 2.92Å; F426-R430 WeakPolarHBondContact O-CB 3.3Å; F426-R430 PolarHBondContact O-N 2.92Å
427	L	79.7	Confident	71.7	Confident	5 Å²	5	80.2 Å²	80.2	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-63.6	-48.8	176.2	-68.2	175.7	0	0	0	111.9	D396 V399 H423 C424 K429 R430 L431	D396-L427 HydrophobicContact CB-CD1 3.94Å; V399-L427 HydrophobicContact CG1-CB 4.19Å; H423-L427 WeakPolarHBondContact O-CG 3.4Å; H423-L427 PolarHBondContact O-N 3.09Å; C424-L427 PolarHBondContact O-N 3.27Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.5Å; L427-R430 VanDerWaalsContact CD2-NH2 3.26Å; L427-R430 WeakPolarHBondContact O-CB 3.42Å; L427-R430 PolarHBondContact O-N 3.38Å; L427-R430 VanDerWaalsContact O-N 3.14Å; L427-L431 WeakPolarHBondContact O-CG 3.47Å; L427-L431 PolarHBondContact O-N 3.28Å
428	M	77.3	Confident	70.8	Confident	35 Å²	35	83.5 Å²	83.5	17%	0.172	39%	0.391	C	S	.	.	H	α-helix	trans	-58.5	-44.1	174.8	-68.2	176.3	83.4	0	0	111.2	V399 F402 L403 C424 R430 L431 L432	V399-M428 HydrophobicContact CG1-CG 3.66Å; F402-M428 HydrophobicContact CD1-CE 4.14Å; F402-M428 HydrophobicContact CE1-CE 3.74Å; L403-M428 HydrophobicContact CD1-CG 4.37Å; L403-M428 HydrophobicContact CD2-CE 4.08Å; C424-M428 WeakPolarHBondContact O-CB 3.42Å; C424-M428 VanDerWaalsContact O-CG 3.32Å; C424-M428 WeakPolarHBondContact O-CG 3.36Å; C424-M428 PolarHBondContact O-N 3.4Å; M428-R430 VanDerWaalsContact C-N 3.33Å; M428-R430 PolarHBondContact O-N 2.89Å; M428-L431 PolarHBondContact O-N 3.27Å; M428-L432 HydrophobicContact CB-CD1 4.44Å; M428-L432 VanDerWaalsContact O-CB 3.29Å; M428-L432 WeakPolarHBondContact O-CB 3.47Å; M428-L432 WeakPolarHBondContact O-CG 3.35Å; M428-L432 PolarHBondContact O-N 2.94Å
429	K	76.6	Confident	70	Confident	133 Å²	133	82.6 Å²	82.6	58%	0.578	39%	0.389	S	S	*	.	H	α-helix	trans	-60.6	-41.6	175.5	-173.8	176.6	-178.5	179.4	0	111.7	F425 F426 L427 F433	F425-K429 WeakPolarHBondContact O-CB 3.3Å; F425-K429 PolarHBondContact O-N 2.77Å; F426-K429 PolarHBondContact O-N 2.92Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.5Å; K429-F433 HydrophobicContact CG-CD2 4.1Å; K429-F433 HydrophobicContact CG-CE2 4.45Å; K429-F433 WeakPolarHBondContact O-CB 3.21Å; K429-F433 PolarHBondContact O-N 2.97Å; K429-F433 VanDerWaalsContact O-N 3.16Å
430	R	78	Confident	69.2	Low	132 Å²	132	87.6 Å²	87.6	50%	0.498	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-40.6	176.5	-177.7	-177.5	69.3	165.8	0.4	112.5	D396 F426 L427 M428 P434	D396-R430 IonicContact OD1-NH2 3.27Å; D396-R430 PolarHBondContact OD1-NH2 2.86Å; F426-R430 WeakPolarHBondContact O-CB 3.3Å; F426-R430 PolarHBondContact O-N 2.92Å; L427-R430 VanDerWaalsContact CD2-NH2 3.26Å; L427-R430 WeakPolarHBondContact O-CB 3.42Å; L427-R430 PolarHBondContact O-N 3.38Å; L427-R430 VanDerWaalsContact O-N 3.14Å; M428-R430 VanDerWaalsContact C-N 3.33Å; M428-R430 PolarHBondContact O-N 2.89Å; R430-P434 VanDerWaalsContact O-CD 3.23Å; R430-P434 WeakPolarHBondContact O-CD 3.28Å
431	L	74	Confident	68	Low	57 Å²	57	90.9 Å²	90.9	30%	0.298	43%	0.431	S	S	.	.	H	α-helix	trans	-79.2	-35.3	-177.2	-67	170	0	0	0	112.9	V399 L403 L427 M428	V399-L431 HydrophobicContact CG1-CD1 4.23Å; L403-L431 HydrophobicContact CD1-CB 4.19Å; L403-L431 HydrophobicContact CD1-CD1 3.76Å; L427-L431 WeakPolarHBondContact O-CG 3.47Å; L427-L431 PolarHBondContact O-N 3.28Å; M428-L431 PolarHBondContact O-N 3.27Å
432	L	68.8	Low	66.5	Low	66 Å²	66	94.1 Å²	94.1	35%	0.346	45%	0.449	S	S	.	.	H	α-helix	trans	-89.3	-19.8	-176	-64.6	171.2	0	0	0	114.3	L403 M428 I435 K436	L403-L432 HydrophobicContact CD2-CD1 4.22Å; L403-L432 HydrophobicContact CD2-CD2 4.28Å; L403-L432 HydrophobicContact CD2-CG 4.47Å; M428-L432 HydrophobicContact CB-CD1 4.44Å; M428-L432 VanDerWaalsContact O-CB 3.29Å; M428-L432 WeakPolarHBondContact O-CB 3.47Å; M428-L432 WeakPolarHBondContact O-CG 3.35Å; M428-L432 PolarHBondContact O-N 2.94Å; L432-I435 PolarHBondContact O-N 2.96Å; L432-K436 PolarHBondContact O-N 2.86Å
433	F	66.2	Low	65.1	Low	121 Å²	121	96.3 Å²	96.3	53%	0.531	46%	0.458	S	S	.	.	H	α-helix	trans	-60.2	-48.5	176.6	-122.9	-102.4	0	0	0	113.5	K429 I435 K436 I437	K429-F433 HydrophobicContact CG-CD2 4.1Å; K429-F433 HydrophobicContact CG-CE2 4.45Å; K429-F433 WeakPolarHBondContact O-CB 3.21Å; K429-F433 PolarHBondContact O-N 2.97Å; K429-F433 VanDerWaalsContact O-N 3.16Å; F433-I435 VanDerWaalsContact C-N 3.33Å; F433-I435 PolarHBondContact O-N 2.83Å; F433-K436 PolarHBondContact O-N 2.98Å; F433-I437 HydrophobicContact CD1-CD1 4.04Å; F433-I437 WeakPolarHBondContact O-CG1 3.38Å; F433-I437 PolarHBondContact O-N 3.05Å; F433-I437 VanDerWaalsContact O-N 3.07Å
434	P	61.4	Low	63.3	Low	78 Å²	78	97.8 Å²	97.8	51%	0.506	47%	0.474	S	S	.	.	H	α-helix	trans	-59.8	-42.2	178.6	-25	35.1	0	0	0	112.6	R430 I437 L438	R430-P434 VanDerWaalsContact O-CD 3.23Å; R430-P434 WeakPolarHBondContact O-CD 3.28Å; P434-I437 PolarHBondContact O-N 2.83Å; P434-L438 WeakPolarHBondContact O-CB 3.36Å; P434-L438 PolarHBondContact O-N 2.85Å
435	I	58.5	Low	61.3	Low	92 Å²	92	103.3 Å²	103.3	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-65.5	-41.3	-179.6	-57.1	175.4	0	0	0	110.6	L432 F433 I437 L438 N439	L432-I435 PolarHBondContact O-N 2.96Å; F433-I435 VanDerWaalsContact C-N 3.33Å; F433-I435 PolarHBondContact O-N 2.83Å; I435-I437 PolarHBondContact O-N 3.38Å; I435-L438 PolarHBondContact O-N 3.4Å; I435-N439 PolarHBondContact O-N 2.87Å
436	K	56.9	Low	59.1	Low	158 Å²	158	103.9 Å²	103.9	69%	0.687	52%	0.517	S	S	*	.	H	α-helix	trans	-65.3	-36	175.2	-76.2	-170	174	-172.4	0	113	L432 F433 F440	L432-K436 PolarHBondContact O-N 2.86Å; F433-K436 PolarHBondContact O-N 2.98Å; K436-F440 VanDerWaalsContact O-CB 3.24Å; K436-F440 WeakPolarHBondContact O-CB 3.24Å; K436-F440 PolarHBondContact O-N 2.68Å
437	I	56.2	Low	57	Low	91 Å²	91	105 Å²	105	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-68.1	-41.2	174.4	-68.2	168.3	0	0	0	110.7	F433 P434 I435 F440 L441	F433-I437 HydrophobicContact CD1-CD1 4.04Å; F433-I437 WeakPolarHBondContact O-CG1 3.38Å; F433-I437 PolarHBondContact O-N 3.05Å; F433-I437 VanDerWaalsContact O-N 3.07Å; P434-I437 PolarHBondContact O-N 2.83Å; I435-I437 PolarHBondContact O-N 3.38Å; I437-F440 PolarHBondContact O-N 3.25Å; I437-L441 HydrophobicContact CG2-CD1 4.06Å; I437-L441 WeakPolarHBondContact O-CG 3.36Å; I437-L441 PolarHBondContact O-N 2.9Å
438	L	49.3	Very low	54.8	Low	106 Å²	106	110.6 Å²	110.6	56%	0.555	56%	0.562	S	S	*	*	H	α-helix	trans	-64.9	-44.9	178.2	-166.2	67.9	0	0	0	112	P434 I435 F440 L441 L442	P434-L438 WeakPolarHBondContact O-CB 3.36Å; P434-L438 PolarHBondContact O-N 2.85Å; I435-L438 PolarHBondContact O-N 3.4Å; L438-F440 VanDerWaalsContact C-N 3.34Å; L438-F440 PolarHBondContact O-N 3.44Å; L438-L441 PolarHBondContact O-N 3.49Å; L438-L442 HydrophobicContact CG-CD1 4.32Å; L438-L442 WeakPolarHBondContact O-CG 3.16Å; L438-L442 PolarHBondContact O-N 3.12Å
439	N	51.6	Low	52.6	Low	87 Å²	87	117.1 Å²	117.1	47%	0.465	59%	0.592	S	S	.	*	H	α-helix	trans	-67.5	-32.7	175.6	-75.3	5.2	0	0	0	112.5	I435 L442 H443	I435-N439 PolarHBondContact O-N 2.87Å; N439-L442 PolarHBondContact O-N 2.67Å; N439-H443 PolarHBondContact O-N 3.25Å
440	F	52.6	Low	50.5	Low	159 Å²	159	118.7 Å²	118.7	70%	0.697	60%	0.604	S	S	*	*	H	α-helix	trans	-64.7	-41.9	173.7	-174.6	-100.1	0	0	0	111.6	K436 I437 L438 L442 H443 S444	K436-F440 VanDerWaalsContact O-CB 3.24Å; K436-F440 WeakPolarHBondContact O-CB 3.24Å; K436-F440 PolarHBondContact O-N 2.68Å; I437-F440 PolarHBondContact O-N 3.25Å; L438-F440 VanDerWaalsContact C-N 3.34Å; L438-F440 PolarHBondContact O-N 3.44Å; F440-L442 VanDerWaalsContact C-N 3.31Å; F440-L442 PolarHBondContact O-N 2.62Å; F440-H443 PolarHBondContact O-N 3.48Å; F440-S444 PolarHBondContact O-N 3.02Å; F440-S444 PolarHBondContact O-OG 2.94Å
441	L	49.4	Very low	48.5	Very low	115 Å²	115	118.2 Å²	118.2	60%	0.602	62%	0.615	S	S	*	*	H	α-helix	trans	-67.4	-27.7	173.5	-73.1	163.2	0	0	0	113.3	I437 L438 S444	I437-L441 HydrophobicContact CG2-CD1 4.06Å; I437-L441 WeakPolarHBondContact O-CG 3.36Å; I437-L441 PolarHBondContact O-N 2.9Å; L438-L441 PolarHBondContact O-N 3.49Å; L441-S444 PolarHBondContact O-OG 2.82Å
442	L	47.1	Very low	46.6	Very low	114 Å²	114	124.4 Å²	124.4	60%	0.597	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-6.5	176.4	-79.3	163.9	0	0	0	114.4	L438 N439 F440	L438-L442 HydrophobicContact CG-CD1 4.32Å; L438-L442 WeakPolarHBondContact O-CG 3.16Å; L438-L442 PolarHBondContact O-N 3.12Å; N439-L442 PolarHBondContact O-N 2.67Å; F440-L442 VanDerWaalsContact C-N 3.31Å; F440-L442 PolarHBondContact O-N 2.62Å
443	H	44.8	Very low	45.2	Very low	160 Å²	160	130.8 Å²	130.8	74%	0.741	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-2.3	178.3	-75.1	-2.5	0	0	0	113.8	N439 F440 T445	N439-H443 PolarHBondContact O-N 3.25Å; F440-H443 PolarHBondContact O-N 3.48Å; H443-T445 PolarHBondContact O-N 2.88Å
444	S	40.1	Very low	44.4	Very low	76 Å²	76	130.2 Å²	130.2	53%	0.531	68%	0.676	S	S	.	*			trans	-81.9	52.6	178.9	53.6	0	0	0	0	113.8	F440 L441	F440-S444 PolarHBondContact O-N 3.02Å; F440-S444 PolarHBondContact O-OG 2.94Å; L441-S444 PolarHBondContact O-OG 2.82Å
445	T	38.3	Very low	43.5	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	69%	0.693	S	S	*	*			trans	-131.4	53.6	173.8	44.4	0	0	0	0	113	H443	H443-T445 PolarHBondContact O-N 2.88Å
446	N	34	Very low	43.1	Very low	151 Å²	151	140.7 Å²	140.7	81%	0.807	70%	0.704	S	S	*	*	S	Bend	trans	-162	143.7	150.5	-100	-40.9	0	0	0	112.6
447	L	35.7	Very low	42.8	Very low	152 Å²	152	140.7 Å²	140.7	80%	0.796	71%	0.706	S	S	*	*			trans	20.3	112.7	157	-53.3	174.3	0	0	0	118.4
448	V	33.2	Very low	42.7	Very low	122 Å²	122	141.2 Å²	141.2	74%	0.739	71%	0.714	S	S	*	*				87.9	117.6	60.1	170.4	0	0	0	0	114.4
449	E	32.2	Very low	43.1	Very low	172 Å²	172	142.8 Å²	142.8	80%	0.804	72%	0.718	S	S	*	*			trans	92.4	140.5	152	-100	174.3	-173.4	0	0	125.4
450	M	32.4	Very low	43.5	Very low	167 Å²	167	144.2 Å²	144.2	82%	0.823	73%	0.725	S	S	*	*			trans	56	128.9	163.5	-50.7	-172.8	82.8	0	0	118.7
451	V	35	Very low	44	Very low	121 Å²	121	140.7 Å²	140.7	73%	0.733	72%	0.717	S	S	*	*				-167.5	133.7	62	159.8	0	0	0	0	111.8
452	E	34.5	Very low	45	Very low	187 Å²	187	142.1 Å²	142.1	87%	0.874	72%	0.718	S	S	*	*			trans	43.4	166.5	150.4	-61	-160	114.1	0	0	126.2
453	K	40.5	Very low	46	Very low	201 Å²	201	141.6 Å²	141.6	87%	0.874	72%	0.716	S	S	*	*			trans	-100	-151.8	-168	-62	176.1	176.6	174.4	0	112.8
454	P	49	Very low	47.2	Very low	108 Å²	108	139.4 Å²	139.4	70%	0.701	71%	0.709	S	S	*	*				-122.3	144.7	-89.2	36.2	-20.7	0	0	0	114
455	R	41.4	Very low	48.8	Very low	228 Å²	228	142.3 Å²	142.3	86%	0.86	71%	0.714	S	S	*	*	S	Bend	trans	-142.1	-12.8	172.8	-95.7	-173	178.4	174.4	0.5	118.6
456	K	51.6	Low	50.3	Low	163 Å²	163	141.8 Å²	141.8	71%	0.709	71%	0.705	S	S	*	*	S	Bend	trans	-91.6	-16.5	-167.3	-67.3	-178.2	176.6	177.4	0	115.8	E459 L460	K456-E459 PolarHBondContact O-N 3.39Å; K456-L460 WeakPolarHBondContact O-CG 3.3Å; K456-L460 PolarHBondContact O-N 2.87Å
457	E	49.4	Very low	52.2	Low	158 Å²	158	139.3 Å²	139.3	74%	0.738	69%	0.691	S	S	*	*	H	α-helix	trans	-76.4	-31.8	-169.5	-156	155.6	-141.6	0	0	113	T461	E457-T461 WeakPolarHBondContact O-CG2 3.39Å; E457-T461 PolarHBondContact O-N 2.91Å; E457-T461 PolarHBondContact O-OG1 3.48Å
458	T	53.7	Low	54.2	Low	102 Å²	102	139.2 Å²	139.2	63%	0.626	68%	0.684	S	S	*	*	H	α-helix	trans	-76.2	-22.2	173.3	42.5	0	0	0	0	114.1	T461	T458-T461 WeakPolarHBondContact CA-OG1 3.3Å; T458-T461 PolarHBondContact O-OG1 3.26Å
459	E	57.8	Low	56.2	Low	139 Å²	139	139.5 Å²	139.5	65%	0.65	68%	0.678	S	S	*	*	H	α-helix	trans	-82.9	-43.1	171	-67.5	-167	138.8	0	0	111.5	K456 T461 K462 L463	K456-E459 PolarHBondContact O-N 3.39Å; E459-T461 VanDerWaalsContact C-N 3.31Å; E459-T461 PolarHBondContact O-N 2.85Å; E459-K462 PolarHBondContact O-N 3.31Å; E459-L463 WeakPolarHBondContact O-CB 3.39Å; E459-L463 PolarHBondContact O-N 2.84Å
460	L	61.2	Low	58	Low	116 Å²	116	138.5 Å²	138.5	61%	0.607	67%	0.666	S	S	*	*	H	α-helix	trans	-59.6	-40	176.7	-80.2	167.6	0	0	0	112.5	K456 L463 N464	K456-L460 WeakPolarHBondContact O-CG 3.3Å; K456-L460 PolarHBondContact O-N 2.87Å; L460-L463 PolarHBondContact O-N 3.17Å; L460-N464 WeakPolarHBondContact O-CB 3.36Å; L460-N464 PolarHBondContact O-N 3.15Å
461	T	62.9	Low	59.7	Low	85 Å²	85	135.5 Å²	135.5	52%	0.521	65%	0.654	S	S	.	*	H	α-helix	trans	-63.2	-48.2	175.2	39.1	0	0	0	0	112.1	E457 T458 E459 L463 N464 E465	E457-T461 WeakPolarHBondContact O-CG2 3.39Å; E457-T461 PolarHBondContact O-N 2.91Å; E457-T461 PolarHBondContact O-OG1 3.48Å; T458-T461 WeakPolarHBondContact CA-OG1 3.3Å; T458-T461 PolarHBondContact O-OG1 3.26Å; E459-T461 VanDerWaalsContact C-N 3.31Å; E459-T461 PolarHBondContact O-N 2.85Å; T461-L463 PolarHBondContact O-N 3.35Å; T461-N464 PolarHBondContact O-N 3.21Å; T461-E465 WeakPolarHBondContact O-CB 3.44Å; T461-E465 PolarHBondContact O-N 2.95Å
462	K	70.3	Confident	61.7	Low	146 Å²	146	134.3 Å²	134.3	64%	0.635	64%	0.643	S	S	*	*	H	α-helix	trans	-59	-43.1	173.8	-81.7	-175.2	173.1	-178	0	113.1	E459 N464 E465 M466	E459-K462 PolarHBondContact O-N 3.31Å; K462-N464 VanDerWaalsContact C-N 3.34Å; K462-N464 PolarHBondContact O-N 3.08Å; K462-E465 PolarHBondContact O-N 3.49Å; K462-M466 WeakPolarHBondContact O-CG 3.34Å; K462-M466 PolarHBondContact O-N 3.31Å
463	L	67.1	Low	63.7	Low	103 Å²	103	130.3 Å²	130.3	54%	0.539	63%	0.625	S	S	.	*	H	α-helix	trans	-64.2	-40.6	-180	-133	76.3	0	0	0	111.8	E459 L460 T461 M466 L467	E459-L463 WeakPolarHBondContact O-CB 3.39Å; E459-L463 PolarHBondContact O-N 2.84Å; L460-L463 PolarHBondContact O-N 3.17Å; T461-L463 PolarHBondContact O-N 3.35Å; L463-M466 PolarHBondContact O-N 3.39Å; L463-L467 WeakPolarHBondContact O-CG 3.46Å; L463-L467 PolarHBondContact O-N 3.01Å
464	N	70.2	Confident	65.2	Low	113 Å²	113	125 Å²	125	60%	0.604	61%	0.605	S	S	*	*	H	α-helix	trans	-68	-35.7	177.5	-162.7	27.4	0	0	0	111.9	L460 T461 K462 L467 K468	L460-N464 WeakPolarHBondContact O-CB 3.36Å; L460-N464 PolarHBondContact O-N 3.15Å; T461-N464 PolarHBondContact O-N 3.21Å; K462-N464 VanDerWaalsContact C-N 3.34Å; K462-N464 PolarHBondContact O-N 3.08Å; N464-L467 PolarHBondContact O-N 3.31Å; N464-K468 WeakPolarHBondContact O-CB 3.33Å; N464-K468 PolarHBondContact O-N 2.92Å
465	E	74.9	Confident	66.3	Low	138 Å²	138	122.3 Å²	122.3	65%	0.645	59%	0.588	S	S	*	*	H	α-helix	trans	-69.9	-40.2	175.4	-162.8	161	-127.3	0	0	112.1	T461 K462 K468 Q469	T461-E465 WeakPolarHBondContact O-CB 3.44Å; T461-E465 PolarHBondContact O-N 2.95Å; K462-E465 PolarHBondContact O-N 3.49Å; E465-K468 PolarHBondContact O-N 3.33Å; E465-Q469 PolarHBondContact O-N 3.43Å
466	M	70.4	Confident	68	Low	105 Å²	105	115.9 Å²	115.9	52%	0.517	57%	0.57	S	S	.	*	H	α-helix	trans	-62.1	-42.1	171.1	-77.8	170.7	47.7	0	0	112.9	K462 L463 K468 Q469 R470	K462-M466 WeakPolarHBondContact O-CG 3.34Å; K462-M466 PolarHBondContact O-N 3.31Å; L463-M466 PolarHBondContact O-N 3.39Å; M466-K468 VanDerWaalsContact C-N 3.34Å; M466-Q469 PolarHBondContact O-N 2.97Å; M466-R470 WeakPolarHBondContact O-CG 3.35Å; M466-R470 PolarHBondContact O-N 3.47Å
467	L	73.5	Confident	68.7	Low	100 Å²	100	113.1 Å²	113.1	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-60.2	-45.5	173.5	-79.1	170.6	0	0	0	111	L463 N464 Q469 R470 D471	L463-L467 WeakPolarHBondContact O-CG 3.46Å; L463-L467 PolarHBondContact O-N 3.01Å; N464-L467 PolarHBondContact O-N 3.31Å; L467-Q469 VanDerWaalsContact C-N 3.28Å; L467-Q469 PolarHBondContact O-N 3.32Å; L467-R470 PolarHBondContact O-N 3.39Å; L467-R470 VanDerWaalsContact O-N 3.07Å; L467-D471 PolarHBondContact O-N 3.35Å
468	K	76.8	Confident	69.8	Low	149 Å²	149	108.4 Å²	108.4	65%	0.648	55%	0.545	S	S	*	.	H	α-helix	trans	-65.2	-27.8	178.4	-161.3	174.9	-175.2	-179.5	0	113.3	N464 E465 M466 N472	N464-K468 WeakPolarHBondContact O-CB 3.33Å; N464-K468 PolarHBondContact O-N 2.92Å; E465-K468 PolarHBondContact O-N 3.33Å; M466-K468 VanDerWaalsContact C-N 3.34Å; K468-N472 PolarHBondContact O-ND2 3.25Å
469	Q	75.3	Confident	70.8	Confident	128 Å²	128	111.3 Å²	111.3	60%	0.598	54%	0.544	S	S	*	.	H	α-helix	trans	-69.6	-49.3	166.9	-77.5	-174.9	-32.5	0	0	111.5	E465 M466 L467 D471 N472 E473	E465-Q469 PolarHBondContact O-N 3.43Å; M466-Q469 PolarHBondContact O-N 2.97Å; L467-Q469 VanDerWaalsContact C-N 3.28Å; L467-Q469 PolarHBondContact O-N 3.32Å; Q469-D471 PolarHBondContact O-N 2.98Å; Q469-N472 WeakPolarHBondContact O-CA 3.47Å; Q469-N472 WeakPolarHBondContact O-CB 3.4Å; Q469-N472 PolarHBondContact O-N 2.91Å; Q469-E473 PolarHBondContact O-N 3.12Å
470	R	70.3	Confident	71.5	Confident	151 Å²	151	108.8 Å²	108.8	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-59.1	-41.6	-179.8	-75.2	-78.3	158.8	77.2	0.3	113	M466 L467 N472 E473 I474	M466-R470 WeakPolarHBondContact O-CG 3.35Å; M466-R470 PolarHBondContact O-N 3.47Å; L467-R470 PolarHBondContact O-N 3.39Å; L467-R470 VanDerWaalsContact O-N 3.07Å; R470-N472 VanDerWaalsContact C-N 3.28Å; R470-N472 PolarHBondContact O-N 3.26Å; R470-E473 WeakPolarHBondContact CD-OE2 3.32Å; R470-E473 IonicContact NE-OE2 3.89Å; R470-E473 PolarHBondContact NE-OE2 3.43Å; R470-E473 PolarHBondContact O-N 2.97Å; R470-I474 WeakPolarHBondContact O-CB 3.48Å; R470-I474 VanDerWaalsContact O-CG1 3.26Å; R470-I474 WeakPolarHBondContact O-CG1 3.48Å; R470-I474 PolarHBondContact O-N 3.2Å
471	D	69.1	Low	71.6	Confident	104 Å²	104	108.4 Å²	108.4	56%	0.556	53%	0.532	S	S	*	.	H	α-helix	trans	-64.7	-32.2	176.1	-74.3	-27.3	0	0	0	112.5	L467 Q469 S475	L467-D471 PolarHBondContact O-N 3.35Å; Q469-D471 PolarHBondContact O-N 2.98Å; D471-S475 WeakPolarHBondContact O-CB 3.47Å; D471-S475 PolarHBondContact O-N 2.87Å
472	N	76.4	Confident	71.9	Confident	96 Å²	96	111.3 Å²	111.3	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-71.1	-41.8	172.8	-81.7	-56.1	0	0	0	112	K468 Q469 R470 S475 I476	K468-N472 PolarHBondContact O-ND2 3.25Å; Q469-N472 WeakPolarHBondContact O-CA 3.47Å; Q469-N472 WeakPolarHBondContact O-CB 3.4Å; Q469-N472 PolarHBondContact O-N 2.91Å; R470-N472 VanDerWaalsContact C-N 3.28Å; R470-N472 PolarHBondContact O-N 3.26Å; N472-S475 WeakPolarHBondContact O-CB 3.42Å; N472-S475 PolarHBondContact O-N 3.19Å; N472-I476 VanDerWaalsContact O-CG1 3.31Å; N472-I476 WeakPolarHBondContact O-CG1 3.5Å; N472-I476 PolarHBondContact O-N 3.36Å
473	E	76	Confident	72.1	Confident	103 Å²	103	111.8 Å²	111.8	48%	0.481	54%	0.54	S	S	.	.	H	α-helix	trans	-58.8	-47.2	172.6	-66.6	177.9	150.1	0	0	111.2	Q469 R470 S475 I476 L477	Q469-E473 PolarHBondContact O-N 3.12Å; R470-E473 WeakPolarHBondContact CD-OE2 3.32Å; R470-E473 IonicContact NE-OE2 3.89Å; R470-E473 PolarHBondContact NE-OE2 3.43Å; R470-E473 PolarHBondContact O-N 2.97Å; E473-S475 PolarHBondContact O-N 2.92Å; E473-I476 PolarHBondContact O-N 2.64Å; E473-L477 WeakPolarHBondContact O-CG 3.36Å; E473-L477 PolarHBondContact O-N 2.9Å
474	I	72.3	Confident	72.1	Confident	91 Å²	91	111.6 Å²	111.6	47%	0.467	54%	0.536	S	S	.	.	H	α-helix	trans	-61.8	-43	175.8	-67.6	164.2	0	0	0	110.8	R470 I476 L477 V478	R470-I474 WeakPolarHBondContact O-CB 3.48Å; R470-I474 VanDerWaalsContact O-CG1 3.26Å; R470-I474 WeakPolarHBondContact O-CG1 3.48Å; R470-I474 PolarHBondContact O-N 3.2Å; I474-I476 VanDerWaalsContact C-N 3.29Å; I474-I476 PolarHBondContact O-N 3.4Å; I474-L477 PolarHBondContact O-N 3.16Å; I474-V478 HydrophobicContact CG2-CG2 4.2Å; I474-V478 WeakPolarHBondContact O-CB 3.24Å; I474-V478 VanDerWaalsContact O-CG2 3.27Å; I474-V478 WeakPolarHBondContact O-CG2 2.87Å; I474-V478 PolarHBondContact O-N 2.95Å
475	S	71.6	Confident	72	Confident	50 Å²	50	112.9 Å²	112.9	35%	0.35	54%	0.536	S	S	.	.	H	α-helix	trans	-60.5	-36	175.5	-176.3	0	0	0	0	112.6	D471 N472 E473 R479	D471-S475 WeakPolarHBondContact O-CB 3.47Å; D471-S475 PolarHBondContact O-N 2.87Å; N472-S475 WeakPolarHBondContact O-CB 3.42Å; N472-S475 PolarHBondContact O-N 3.19Å; E473-S475 PolarHBondContact O-N 2.92Å; S475-R479 VanDerWaalsContact O-CB 3.29Å; S475-R479 WeakPolarHBondContact O-CB 3.48Å; S475-R479 PolarHBondContact O-N 2.78Å; S475-R479 PolarHBondContact OG-NH2 2.84Å
476	I	78.4	Confident	71.8	Confident	93 Å²	93	113.3 Å²	113.3	48%	0.477	54%	0.536	S	S	.	.	H	α-helix	trans	-71.3	-48.8	174.5	-68.7	163.5	0	0	0	110.7	N472 E473 I474 V478 R479 I480	N472-I476 VanDerWaalsContact O-CG1 3.31Å; N472-I476 WeakPolarHBondContact O-CG1 3.5Å; N472-I476 PolarHBondContact O-N 3.36Å; E473-I476 PolarHBondContact O-N 2.64Å; I474-I476 VanDerWaalsContact C-N 3.29Å; I474-I476 PolarHBondContact O-N 3.4Å; I476-V478 PolarHBondContact O-N 2.98Å; I476-R479 CarbonylContact O-C 3.58Å; I476-R479 WeakPolarHBondContact O-CA 3.43Å; I476-R479 VanDerWaalsContact O-CB 3.31Å; I476-R479 WeakPolarHBondContact O-CB 3.47Å; I476-R479 PolarHBondContact O-N 3.3Å; I476-I480 HydrophobicContact CG2-CD1 3.95Å; I476-I480 WeakPolarHBondContact O-CG1 3.29Å; I476-I480 PolarHBondContact O-N 3.13Å
477	L	66	Low	71.7	Confident	105 Å²	105	112.4 Å²	112.4	55%	0.55	53%	0.533	S	S	.	.	H	α-helix	trans	-61	-43.5	178.8	-72.7	169.1	0	0	0	112.2	E473 I474 R479 I480 L481	E473-L477 WeakPolarHBondContact O-CG 3.36Å; E473-L477 PolarHBondContact O-N 2.9Å; I474-L477 PolarHBondContact O-N 3.16Å; L477-R479 VanDerWaalsContact C-N 3.26Å; L477-R479 PolarHBondContact O-N 3.38Å; L477-I480 PolarHBondContact O-N 2.67Å; L477-L481 WeakPolarHBondContact O-CB 3.43Å; L477-L481 PolarHBondContact O-N 3.33Å
478	V	71.8	Confident	70.9	Confident	59 Å²	59	114.8 Å²	114.8	36%	0.358	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-32.5	173.8	169.4	0	0	0	0	111.5	I474 I476 K482	I474-V478 HydrophobicContact CG2-CG2 4.2Å; I474-V478 WeakPolarHBondContact O-CB 3.24Å; I474-V478 VanDerWaalsContact O-CG2 3.27Å; I474-V478 WeakPolarHBondContact O-CG2 2.87Å; I474-V478 PolarHBondContact O-N 2.95Å; I476-V478 PolarHBondContact O-N 2.98Å; V478-K482 HydrophobicContact CG1-CD 4.02Å; V478-K482 VanDerWaalsContact O-CB 3.3Å; V478-K482 WeakPolarHBondContact O-CB 3.35Å; V478-K482 WeakPolarHBondContact O-CG 3.38Å; V478-K482 PolarHBondContact O-N 3.17Å
479	R	74	Confident	70.3	Confident	163 Å²	163	116.1 Å²	116.1	62%	0.615	54%	0.536	S	S	*	.	H	α-helix	trans	-72.1	-38.3	175.4	-159.6	178.3	-52.5	-179.5	5.8	111.7	S475 I476 L477 K483	S475-R479 VanDerWaalsContact O-CB 3.29Å; S475-R479 WeakPolarHBondContact O-CB 3.48Å; S475-R479 PolarHBondContact O-N 2.78Å; S475-R479 PolarHBondContact OG-NH2 2.84Å; I476-R479 CarbonylContact O-C 3.58Å; I476-R479 WeakPolarHBondContact O-CA 3.43Å; I476-R479 VanDerWaalsContact O-CB 3.31Å; I476-R479 WeakPolarHBondContact O-CB 3.47Å; I476-R479 PolarHBondContact O-N 3.3Å; L477-R479 VanDerWaalsContact C-N 3.26Å; L477-R479 PolarHBondContact O-N 3.38Å; R479-K483 WeakPolarHBondContact O-CB 3.43Å; R479-K483 PolarHBondContact O-N 2.87Å
480	I	73	Confident	69.8	Low	87 Å²	87	117.1 Å²	117.1	45%	0.446	54%	0.538	S	S	.	.	H	α-helix	trans	-64.4	-51.7	172.4	-67	166.7	0	0	0	110.1	I476 L477 K482 K483 E484	I476-I480 HydrophobicContact CG2-CD1 3.95Å; I476-I480 WeakPolarHBondContact O-CG1 3.29Å; I476-I480 PolarHBondContact O-N 3.13Å; L477-I480 PolarHBondContact O-N 2.67Å; I480-K482 VanDerWaalsContact C-N 3.31Å; I480-K482 PolarHBondContact O-N 2.97Å; I480-K483 CarbonylContact O-C 3.57Å; I480-K483 WeakPolarHBondContact O-CA 3.39Å; I480-K483 VanDerWaalsContact O-CB 3.3Å; I480-K483 WeakPolarHBondContact O-CB 3.38Å; I480-K483 PolarHBondContact O-N 2.89Å; I480-E484 PolarHBondContact O-N 3.46Å
481	L	63	Low	69.4	Low	108 Å²	108	117.4 Å²	117.4	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-58.9	-38.4	176.5	-77	165.3	0	0	0	112.6	L477 K485	L477-L481 WeakPolarHBondContact O-CB 3.43Å; L477-L481 PolarHBondContact O-N 3.33Å; L481-K485 WeakPolarHBondContact O-CB 3.34Å; L481-K485 PolarHBondContact O-N 2.94Å
482	K	70.5	Confident	68.9	Low	145 Å²	145	117.6 Å²	117.6	63%	0.63	54%	0.539	S	S	*	.	H	α-helix	trans	-66.4	-35.4	172.3	-77.1	172	-179.3	174.9	0	112.3	V478 I480 K486	V478-K482 HydrophobicContact CG1-CD 4.02Å; V478-K482 VanDerWaalsContact O-CB 3.3Å; V478-K482 WeakPolarHBondContact O-CB 3.35Å; V478-K482 WeakPolarHBondContact O-CG 3.38Å; V478-K482 PolarHBondContact O-N 3.17Å; I480-K482 VanDerWaalsContact C-N 3.31Å; I480-K482 PolarHBondContact O-N 2.97Å; K482-K486 WeakPolarHBondContact O-CB 3.33Å; K482-K486 PolarHBondContact O-N 3.45Å; K482-K486 VanDerWaalsContact O-N 3.1Å
483	K	74.2	Confident	67.8	Low	157 Å²	157	119.2 Å²	119.2	68%	0.683	54%	0.544	S	S	*	.	H	α-helix	trans	-68.1	-44.5	175	-166.6	-179.9	-177.8	-175.7	0	111.2	R479 I480 K486 L487	R479-K483 WeakPolarHBondContact O-CB 3.43Å; R479-K483 PolarHBondContact O-N 2.87Å; I480-K483 CarbonylContact O-C 3.57Å; I480-K483 WeakPolarHBondContact O-CA 3.39Å; I480-K483 VanDerWaalsContact O-CB 3.3Å; I480-K483 WeakPolarHBondContact O-CB 3.38Å; I480-K483 PolarHBondContact O-N 2.89Å; K483-K486 WeakPolarHBondContact O-CB 3.42Å; K483-K486 PolarHBondContact O-N 3.36Å; K483-L487 PolarHBondContact O-N 3.28Å
484	E	66.7	Low	66.6	Low	99 Å²	99	120.5 Å²	120.5	46%	0.463	55%	0.548	S	S	.	.	H	α-helix	trans	-63.6	-47.4	173.3	-71.4	-144.1	113.1	0	0	112.5	I480 K486 L487 W488	I480-E484 PolarHBondContact O-N 3.46Å; E484-K486 PolarHBondContact O-N 3.07Å; E484-L487 CarbonylContact O-C 3.51Å; E484-L487 WeakPolarHBondContact O-CA 3.32Å; E484-L487 WeakPolarHBondContact O-CB 3.44Å; E484-L487 PolarHBondContact O-N 3.39Å; E484-W488 PolarHBondContact O-N 3.28Å
485	K	68.9	Low	65.5	Low	139 Å²	139	118.2 Å²	118.2	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-59.8	-29.2	176.7	-165	164.6	-172.4	165.8	0	111.9	L481 R489	L481-K485 WeakPolarHBondContact O-CB 3.34Å; L481-K485 PolarHBondContact O-N 2.94Å; K485-R489 WeakPolarHBondContact O-CB 3.34Å; K485-R489 VanDerWaalsContact O-CG 3.25Å; K485-R489 WeakPolarHBondContact O-CG 3.5Å; K485-R489 PolarHBondContact O-N 3.04Å; K485-R489 VanDerWaalsContact O-N 3.09Å
486	K	70.4	Confident	64.2	Low	148 Å²	148	119.1 Å²	119.1	64%	0.643	55%	0.548	S	S	*	.	H	α-helix	trans	-75.5	-36	171.6	-164.8	169.7	-174.9	175.9	0	112.6	K482 K483 E484 K490	K482-K486 WeakPolarHBondContact O-CB 3.33Å; K482-K486 PolarHBondContact O-N 3.45Å; K482-K486 VanDerWaalsContact O-N 3.1Å; K483-K486 WeakPolarHBondContact O-CB 3.42Å; K483-K486 PolarHBondContact O-N 3.36Å; E484-K486 PolarHBondContact O-N 3.07Å; K486-K490 PolarHBondContact O-N 3.1Å
487	L	66.8	Low	62.5	Low	86 Å²	86	120.1 Å²	120.1	45%	0.45	55%	0.554	S	S	.	*	H	α-helix	trans	-67.3	-46	171.8	-80.9	161	0	0	0	112.3	K483 E484 K490 R491	K483-L487 PolarHBondContact O-N 3.28Å; E484-L487 CarbonylContact O-C 3.51Å; E484-L487 WeakPolarHBondContact O-CA 3.32Å; E484-L487 WeakPolarHBondContact O-CB 3.44Å; E484-L487 PolarHBondContact O-N 3.39Å; L487-K490 PolarHBondContact O-N 3.37Å; L487-K490 VanDerWaalsContact O-N 3.16Å; L487-R491 PolarHBondContact O-N 2.76Å
488	W	58.4	Low	61.4	Low	149 Å²	149	120.9 Å²	120.9	56%	0.564	56%	0.555	S	S	*	*	H	α-helix	trans	-59.6	-45.9	173.8	-84.9	102	0	0	0	111.8	E484 K490 R491 I492	E484-W488 PolarHBondContact O-N 3.28Å; W488-K490 VanDerWaalsContact C-N 3.33Å; W488-K490 PolarHBondContact O-N 2.78Å; W488-R491 PolarHBondContact O-N 3.36Å; W488-I492 WeakPolarHBondContact O-CB 3.42Å; W488-I492 VanDerWaalsContact O-CG1 3.32Å; W488-I492 WeakPolarHBondContact O-CG1 3.47Å; W488-I492 PolarHBondContact O-N 3.08Å
489	R	62.4	Low	59.9	Low	177 Å²	177	126.3 Å²	126.3	67%	0.668	57%	0.574	S	S	*	*	H	α-helix	trans	-58.7	-40.9	172.6	-78.1	175.2	174.1	-168.2	-3.5	112.4	K485 H493	K485-R489 WeakPolarHBondContact O-CB 3.34Å; K485-R489 VanDerWaalsContact O-CG 3.25Å; K485-R489 WeakPolarHBondContact O-CG 3.5Å; K485-R489 PolarHBondContact O-N 3.04Å; K485-R489 VanDerWaalsContact O-N 3.09Å; R489-H493 WeakPolarHBondContact O-CB 3.4Å; R489-H493 PolarHBondContact O-N 2.92Å
490	K	64.7	Low	58.1	Low	149 Å²	149	125.9 Å²	125.9	65%	0.648	58%	0.576	S	S	*	*	H	α-helix	trans	-64.8	-42	173.5	-80.2	-169.2	171.2	-163.9	0	113	K486 L487 W488 H493 K494	K486-K490 PolarHBondContact O-N 3.1Å; L487-K490 PolarHBondContact O-N 3.37Å; L487-K490 VanDerWaalsContact O-N 3.16Å; W488-K490 VanDerWaalsContact C-N 3.33Å; W488-K490 PolarHBondContact O-N 2.78Å; K490-H493 PolarHBondContact O-N 3.35Å; K490-K494 PolarHBondContact O-N 3.27Å
491	R	62.1	Low	56.3	Low	157 Å²	157	131.2 Å²	131.2	59%	0.592	60%	0.596	S	S	*	*	H	α-helix	trans	-62.6	-46.2	175.9	-75.9	177.6	173.6	154.2	-2.7	111.6	L487 W488 H493 K494 A495	L487-R491 PolarHBondContact O-N 2.76Å; W488-R491 PolarHBondContact O-N 3.36Å; R491-H493 VanDerWaalsContact C-N 3.33Å; R491-H493 PolarHBondContact O-N 2.92Å; R491-K494 PolarHBondContact O-N 3.03Å; R491-A495 WeakPolarHBondContact O-CB 3.17Å; R491-A495 PolarHBondContact O-N 3.05Å
492	I	59.6	Low	55.1	Low	108 Å²	108	133.8 Å²	133.8	55%	0.554	61%	0.606	S	S	*	*	H	α-helix	trans	-61.7	-40.8	175.4	-68.3	165.8	0	0	0	110.8	W488 A495 S496	W488-I492 WeakPolarHBondContact O-CB 3.42Å; W488-I492 VanDerWaalsContact O-CG1 3.32Å; W488-I492 WeakPolarHBondContact O-CG1 3.47Å; W488-I492 PolarHBondContact O-N 3.08Å; I492-A495 PolarHBondContact O-N 2.96Å; I492-S496 VanDerWaalsContact O-CB 3.24Å; I492-S496 WeakPolarHBondContact O-CB 3.41Å; I492-S496 PolarHBondContact O-N 2.88Å
493	H	53.5	Low	53.1	Low	131 Å²	131	138.3 Å²	138.3	61%	0.606	62%	0.619	S	S	*	*	H	α-helix	trans	-68.3	-36.7	177.7	-154.8	66.7	0	0	0	112.6	R489 K490 R491 S496 L497	R489-H493 WeakPolarHBondContact O-CB 3.4Å; R489-H493 PolarHBondContact O-N 2.92Å; K490-H493 PolarHBondContact O-N 3.35Å; R491-H493 VanDerWaalsContact C-N 3.33Å; R491-H493 PolarHBondContact O-N 2.92Å; H493-S496 PolarHBondContact O-N 3.05Å; H493-L497 PolarHBondContact O-N 2.96Å
494	K	50.3	Low	50.9	Low	130 Å²	130	137.3 Å²	137.3	57%	0.565	62%	0.621	S	S	*	*	H	α-helix	trans	-64.4	-47.9	172	-165.8	-176	-172.1	-106.2	0	111.7	K490 R491 S496 L497 E498	K490-K494 PolarHBondContact O-N 3.27Å; R491-K494 PolarHBondContact O-N 3.03Å; K494-S496 PolarHBondContact O-N 3.34Å; K494-L497 WeakPolarHBondContact O-CB 3.34Å; K494-L497 PolarHBondContact O-N 3.17Å; K494-E498 WeakPolarHBondContact CE-OE1 3.33Å; K494-E498 IonicContact NZ-OE1 2.75Å; K494-E498 PolarHBondContact NZ-OE1 2.83Å; K494-E498 PolarHBondContact O-N 3.33Å
495	A	49.7	Very low	49	Very low	43 Å²	43	139.7 Å²	139.7	36%	0.355	64%	0.635	S	S	.	*	H	α-helix	trans	-63.4	-27.6	175.9	0	0	0	0	0	112.9	R491 I492 K499	R491-A495 WeakPolarHBondContact O-CB 3.17Å; R491-A495 PolarHBondContact O-N 3.05Å; I492-A495 PolarHBondContact O-N 2.96Å; A495-K499 WeakPolarHBondContact O-CB 3.13Å; A495-K499 WeakPolarHBondContact O-CG 3.38Å; A495-K499 PolarHBondContact O-N 3.09Å
496	S	44	Very low	46.8	Very low	68 Å²	68	142.1 Å²	142.1	48%	0.476	65%	0.649	S	S	.	*	H	α-helix	trans	-76.4	-26.5	173.7	-167.8	0	0	0	0	113.1	I492 H493 K494 K500	I492-S496 VanDerWaalsContact O-CB 3.24Å; I492-S496 WeakPolarHBondContact O-CB 3.41Å; I492-S496 PolarHBondContact O-N 2.88Å; H493-S496 PolarHBondContact O-N 3.05Å; K494-S496 PolarHBondContact O-N 3.34Å; S496-K500 WeakPolarHBondContact O-CB 2.75Å; S496-K500 PolarHBondContact O-N 3.5Å
497	L	43.2	Very low	44.9	Very low	114 Å²	114	140.8 Å²	140.8	60%	0.597	66%	0.655	S	S	*	*	H	α-helix	trans	-76.1	-45	170	-76.6	160.6	0	0	0	111.2	H493 K494 K499 K500	H493-L497 PolarHBondContact O-N 2.96Å; K494-L497 WeakPolarHBondContact O-CB 3.34Å; K494-L497 PolarHBondContact O-N 3.17Å; L497-K499 VanDerWaalsContact C-N 3.27Å; L497-K499 PolarHBondContact O-N 3.02Å; L497-K500 PolarHBondContact O-N 2.89Å
498	E	42.1	Very low	43	Very low	122 Å²	122	142.4 Å²	142.4	57%	0.57	67%	0.674	S	S	*	*	H	α-helix	trans	-62	-34.1	176.3	-71.6	162.6	177.7	0	0	112	K494 K500	K494-E498 WeakPolarHBondContact CE-OE1 3.33Å; K494-E498 IonicContact NZ-OE1 2.75Å; K494-E498 PolarHBondContact NZ-OE1 2.83Å; K494-E498 PolarHBondContact O-N 3.33Å; E498-K500 VanDerWaalsContact C-N 3.33Å
499	K	41.1	Very low	41.6	Very low	172 Å²	172	147.2 Å²	147.2	75%	0.748	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-79	-5.7	172.2	-76.3	-175.7	174.4	-177.1	0	115.1	A495 L497	A495-K499 WeakPolarHBondContact O-CB 3.13Å; A495-K499 WeakPolarHBondContact O-CG 3.38Å; A495-K499 PolarHBondContact O-N 3.09Å; L497-K499 VanDerWaalsContact C-N 3.27Å; L497-K499 PolarHBondContact O-N 3.02Å
500	K	34.9	Very low	39.9	Very low	155 Å²	155	144.9 Å²	144.9	67%	0.674	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-91.9	2.8	-177.3	-124.1	-169.9	175.4	-160	0	115.5	S496 L497 E498	S496-K500 WeakPolarHBondContact O-CB 2.75Å; S496-K500 PolarHBondContact O-N 3.5Å; L497-K500 PolarHBondContact O-N 2.89Å; E498-K500 VanDerWaalsContact C-N 3.33Å
501	F	35.2	Very low	38.1	Very low	198 Å²	198	141.1 Å²	141.1	87%	0.868	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-92.4	-0.9	172.6	-150.5	-100.6	0	0	0	113.5
502	Q	39.1	Very low	36.4	Very low	162 Å²	162	139.1 Å²	139.1	76%	0.757	72%	0.716	S	S	*	*	S	Bend	trans	-141.3	125	174.9	-79.5	175.9	-20.7	0	0	111
503	R	28.6	Very low	34.8	Very low	241 Å²	241	145.6 Å²	145.6	91%	0.909	73%	0.734	S	S	*	*			trans	83	58.6	176	-46.3	179.3	-156	169.6	5.2	117.9
504	D	26.3	Very low	33.7	Very low	135 Å²	135	146.7 Å²	146.7	72%	0.722	74%	0.744	S	S	*	*				-78.1	147.5	124.7	-74.1	-42.8	0	0	0	107
505	I	27.9	Very low	32.6	Very low	149 Å²	149	149.8 Å²	149.8	76%	0.764	76%	0.758	S	S	*	*			cis	-140.4	133.5	6.7	-56.9	170.6	0	0	0	109.8
506	Q	23.5	Very low	31.7	Very low	190 Å²	190	155.4 Å²	155.4	89%	0.888	78%	0.78	S	S	*	*				-169.3	134.9	129.3	-106.3	-171.5	25.7	0	0	111.2
507	P	30.3	Very low	30.8	Very low	121 Å²	121	161.9 Å²	161.9	79%	0.786	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-92.3	152.6	-169.5	35.6	-35.9	0	0	0	114.8
508	S	25.4	Very low	30.3	Very low	120 Å²	120	166.6 Å²	166.6	84%	0.839	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-88.2	163.3	172.9	52.7	0	0	0	0	113.2
509	R	30.9	Very low	29.8	Very low	250 Å²	250	164.9 Å²	164.9	94%	0.943	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77	143.9	175.7	-76.1	177.2	166.9	177.8	-4.6	113.4
510	S	26.5	Very low	29.1	Very low	127 Å²	127	168.2 Å²	168.2	89%	0.888	82%	0.815	S	S	*	*			trans	-156.8	160.1	143.1	61.5	0	0	0	0	108.3
511	G	25.5	Very low	28.8	Very low	71 Å²	71	168.9 Å²	168.9	73%	0.732	82%	0.824	S	S	*	*			cis	177.7	131.9	-11.6	0	0	0	0	0	111.5
512	S	26.9	Very low	28.4	Very low	114 Å²	114	166.9 Å²	166.9	80%	0.797	82%	0.822	S	S	*	*			trans	58.4	121.6	168.5	-159.2	0	0	0	0	120.6
513	R	26.2	Very low	27.9	Very low	245 Å²	245	169 Å²	169	93%	0.925	83%	0.828	S	S	*	*			trans	-169.7	130.7	131.1	-109.5	175.6	-174.6	-172.9	1.4	110.8
514	D	30.6	Very low	27.9	Very low	153 Å²	153	163.9 Å²	163.9	82%	0.818	82%	0.824	S	S	*	*			trans	-72.6	135.3	176.9	-63.4	-76.1	0	0	0	112.9
515	K	26.1	Very low	28	Very low	196 Å²	196	164.9 Å²	164.9	85%	0.852	83%	0.828	S	S	*	*			trans	-172.8	122.4	139.1	-106.2	165.6	-174.6	-174.1	0	111.5
516	I	32.2	Very low	27.9	Very low	161 Å²	161	163.1 Å²	163.1	83%	0.826	83%	0.826	S	S	*	*			trans	25.3	101.9	151.5	-51.6	171.6	0	0	0	116.2
517	K	25.4	Very low	28.4	Very low	203 Å²	203	160.7 Å²	160.7	88%	0.883	81%	0.813	S	S	*	*			trans	-165	106.3	145.1	-109.8	147.4	-172.4	167.3	0	112.1
518	R	32.1	Very low	28.4	Very low	213 Å²	213	161.3 Å²	161.3	80%	0.804	82%	0.815	S	S	*	*			trans	-73.2	174.2	152.9	-73.1	-177	174.8	176	0.3	108.7
519	V	30.7	Very low	28.8	Very low	87 Å²	87	158.8 Å²	158.8	53%	0.527	81%	0.808	S	S	.	*			trans	58.6	77.1	174.5	-166.1	0	0	0	0	115	Q611	V519-Q611 HydrophobicContact CG1-CG 4.08Å
520	R	27.3	Very low	29.2	Very low	241 Å²	241	150.2 Å²	150.2	91%	0.909	78%	0.777	S	S	*	*			trans	-166.2	48.3	156	-113.6	170.8	-155.8	-149.7	5.5	115.4
521	I	28.6	Very low	29.6	Very low	169 Å²	169	149.7 Å²	149.7	87%	0.867	77%	0.765	S	S	*	*			trans	-128.2	76.2	174.8	-49.7	179.6	0	0	0	110.9
522	L	26.8	Very low	30.2	Very low	157 Å²	157	150.5 Å²	150.5	82%	0.822	75%	0.751	S	S	*	*	S	Bend	trans	-162.1	6.1	171.1	-116.7	161.7	0	0	0	116.3
523	K	28	Very low	30.7	Very low	205 Å²	205	147.2 Å²	147.2	89%	0.891	73%	0.731	S	S	*	*	S	Bend	trans	-108.4	13.7	-176.1	-74.2	-168.5	174	179.8	0	115.8
524	T	29.5	Very low	31.3	Very low	135 Å²	135	139.4 Å²	139.4	83%	0.828	71%	0.711	S	S	*	*			trans	-145.1	77.8	179.4	13.9	0	0	0	0	113
525	I	28.4	Very low	31.6	Very low	155 Å²	155	136.6 Å²	136.6	80%	0.795	70%	0.695	S	S	*	*			trans	-123.4	117.5	149.8	-60.9	178.3	0	0	0	105.5	F527	I525-F527 PolarHBondContact O-N 2.88Å
526	P	25.5	Very low	32.1	Very low	113 Å²	113	132.1 Å²	132.1	73%	0.734	68%	0.677	S	S	*	*			trans	-67.4	115.1	178.8	-17.7	31.3	0	0	0	110.3	T528	P526-T528 PolarHBondContact O-N 3.28Å
527	F	32.8	Very low	32.4	Very low	138 Å²	138	131.2 Å²	131.2	61%	0.605	67%	0.667	S	S	*	*			trans	-97.7	63.1	-177.5	-162.9	-106.2	0	0	0	111	I525 F530	I525-F527 PolarHBondContact O-N 2.88Å; F527-F530 HydrophobicContact CD1-CB 4.31Å; F527-F530 HydrophobicContact CE1-CB 3.38Å; F527-F530 HydrophobicContact CE2-CB 4.14Å; F527-F530 HydrophobicContact CZ-CB 3.29Å; F527-F530 HydrophobicContact CZ-CG 4.07Å
528	T	31.1	Very low	33	Very low	134 Å²	134	128.5 Å²	128.5	82%	0.822	65%	0.651	S	S	*	*			trans	-85.7	110.9	174.1	49.2	0	0	0	0	109.9	P526	P526-T528 PolarHBondContact O-N 3.28Å
529	G	33	Very low	33.2	Very low	67 Å²	67	121.4 Å²	121.4	69%	0.691	63%	0.627	S	S	*	*	S	Bend	trans	111.6	33.9	168	0	0	0	0	0	117.7
530	F	39.7	Very low	33.3	Very low	70 Å²	70	123.7 Å²	123.7	31%	0.307	63%	0.632	S	S	.	*			trans	-139.4	60.6	170.5	-120.5	-88.5	0	0	0	112.2	F527 I532	F527-F530 HydrophobicContact CD1-CB 4.31Å; F527-F530 HydrophobicContact CE1-CB 3.38Å; F527-F530 HydrophobicContact CE2-CB 4.14Å; F527-F530 HydrophobicContact CZ-CB 3.29Å; F527-F530 HydrophobicContact CZ-CG 4.07Å; F530-I532 PolarHBondContact O-N 3.03Å
531	D	35.1	Very low	33.7	Very low	116 Å²	116	118 Å²	118	62%	0.62	62%	0.619	S	S	*	*			trans	-75	103.1	168.9	-79.1	-49.9	0	0	0	110.4	A533 V534	D531-A533 PolarHBondContact O-N 2.88Å; D531-V534 HydrophobicContact CB-CB 4.24Å; D531-V534 HydrophobicContact CB-CG2 3.68Å; D531-V534 WeakPolarHBondContact O-CB 3.22Å; D531-V534 PolarHBondContact O-N 3.47Å
532	I	38.5	Very low	34.1	Very low	89 Å²	89	114.2 Å²	114.2	46%	0.456	60%	0.6	S	S	.	*	H	α-helix	trans	-55.9	-32	167.8	-64.5	172.4	0	0	0	110	F530 V534 L535 E536	F530-I532 PolarHBondContact O-N 3.03Å; I532-V534 PolarHBondContact O-N 3.37Å; I532-V534 VanDerWaalsContact O-N 3.12Å; I532-L535 WeakPolarHBondContact O-CA 3.43Å; I532-L535 WeakPolarHBondContact O-CB 3.44Å; I532-L535 PolarHBondContact O-N 3.09Å; I532-E536 HydrophobicContact CG2-CG 4.38Å; I532-E536 PolarHBondContact O-N 3.04Å
533	A	36.5	Very low	34.4	Very low	45 Å²	45	113.9 Å²	113.9	37%	0.372	60%	0.596	S	S	.	*	H	α-helix	trans	-60.7	-16.2	172.5	0	0	0	0	0	114.9	D531 E536 K537	D531-A533 PolarHBondContact O-N 2.88Å; A533-E536 WeakPolarHBondContact CA-OE2 3.3Å; A533-K537 WeakPolarHBondContact O-CB 3.12Å; A533-K537 VanDerWaalsContact O-CG 3.24Å; A533-K537 WeakPolarHBondContact O-CG 3.46Å; A533-K537 PolarHBondContact O-N 2.82Å
534	V	39	Very low	34.6	Very low	81 Å²	81	111.9 Å²	111.9	49%	0.491	59%	0.588	S	S	.	*	H	α-helix	trans	-82.5	-33.2	171.8	171.5	0	0	0	0	111.3	D531 I532 R538	D531-V534 HydrophobicContact CB-CB 4.24Å; D531-V534 HydrophobicContact CB-CG2 3.68Å; D531-V534 WeakPolarHBondContact O-CB 3.22Å; D531-V534 PolarHBondContact O-N 3.47Å; I532-V534 PolarHBondContact O-N 3.37Å; I532-V534 VanDerWaalsContact O-N 3.12Å; V534-R538 WeakPolarHBondContact O-CB 3.43Å; V534-R538 PolarHBondContact O-N 2.85Å
535	L	37.2	Very low	34.8	Very low	94 Å²	94	111.3 Å²	111.3	49%	0.492	58%	0.579	S	S	.	*	H	α-helix	trans	-67.9	-49	168.1	-75.4	167.4	0	0	0	110	I532 K537 R538 E539	I532-L535 WeakPolarHBondContact O-CA 3.43Å; I532-L535 WeakPolarHBondContact O-CB 3.44Å; I532-L535 PolarHBondContact O-N 3.09Å; L535-K537 VanDerWaalsContact C-N 3.32Å; L535-K537 PolarHBondContact O-N 3.42Å; L535-R538 CarbonylContact O-C 3.42Å; L535-R538 PolarHBondContact O-N 3.4Å; L535-E539 WeakPolarHBondContact O-CB 3.16Å; L535-E539 PolarHBondContact O-N 3.13Å
536	E	36.8	Very low	35.1	Very low	101 Å²	101	111 Å²	111	47%	0.472	58%	0.579	S	S	.	*	H	α-helix	trans	-58	-41	175.8	-65	170.6	157	0	0	111.9	I532 A533 E539 Q540	I532-E536 HydrophobicContact CG2-CG 4.38Å; I532-E536 PolarHBondContact O-N 3.04Å; A533-E536 WeakPolarHBondContact CA-OE2 3.3Å; E536-E539 PolarHBondContact O-N 2.75Å; E536-Q540 WeakPolarHBondContact O-CB 3.42Å; E536-Q540 VanDerWaalsContact O-CG 3.29Å; E536-Q540 WeakPolarHBondContact O-CG 3.36Å; E536-Q540 PolarHBondContact O-N 3.45Å
537	K	38.8	Very low	35.4	Very low	142 Å²	142	109 Å²	109	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-69.1	-33.3	174.3	-81.8	176.9	176.4	175.1	0	113.7	A533 L535 L541	A533-K537 WeakPolarHBondContact O-CB 3.12Å; A533-K537 VanDerWaalsContact O-CG 3.24Å; A533-K537 WeakPolarHBondContact O-CG 3.46Å; A533-K537 PolarHBondContact O-N 2.82Å; L535-K537 VanDerWaalsContact C-N 3.32Å; L535-K537 PolarHBondContact O-N 3.42Å; K537-L541 WeakPolarHBondContact O-CB 3.45Å; K537-L541 WeakPolarHBondContact O-CD1 3.39Å; K537-L541 PolarHBondContact O-N 3.49Å
538	R	37.6	Very low	35.9	Very low	146 Å²	146	108.9 Å²	108.9	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-70.4	-43.7	172.4	-86.2	-176.1	164.4	-172.9	-4.7	111.2	V534 L535 Q540 L541 L542	V534-R538 WeakPolarHBondContact O-CB 3.43Å; V534-R538 PolarHBondContact O-N 2.85Å; L535-R538 CarbonylContact O-C 3.42Å; L535-R538 PolarHBondContact O-N 3.4Å; R538-Q540 VanDerWaalsContact C-N 3.33Å; R538-Q540 PolarHBondContact O-N 2.81Å; R538-L541 CarbonylContact O-C 3.36Å; R538-L541 WeakPolarHBondContact O-CA 3.49Å; R538-L541 WeakPolarHBondContact O-CB 3.45Å; R538-L541 PolarHBondContact O-N 2.76Å; R538-L542 WeakPolarHBondContact O-CB 3.11Å; R538-L542 VanDerWaalsContact O-CG 3.31Å; R538-L542 WeakPolarHBondContact O-CG 3.46Å; R538-L542 PolarHBondContact O-N 2.82Å
539	E	35.6	Very low	36.4	Very low	65 Å²	65	110.5 Å²	110.5	30%	0.304	57%	0.573	S	S	.	*	H	α-helix	trans	-62.5	-38.7	176.3	-162.4	171.9	-154.9	0	0	111	L535 E536 L542 M543 R590	L535-E539 WeakPolarHBondContact O-CB 3.16Å; L535-E539 PolarHBondContact O-N 3.13Å; E536-E539 PolarHBondContact O-N 2.75Å; E539-L542 CarbonylContact O-C 3.58Å; E539-L542 PolarHBondContact O-N 2.63Å; E539-M543 PolarHBondContact O-N 2.96Å; E539-R590 IonicContact OE1-CZ 3.11Å; E539-R590 IonicContact OE1-NE 2.84Å; E539-R590 IonicContact OE1-NH2 3.21Å; E539-R590 PolarHBondContact OE1-NH2 2.71Å; E539-R590 IonicContact OE2-NE 3.26Å
540	Q	34	Very low	36.3	Very low	134 Å²	134	118.5 Å²	118.5	63%	0.626	58%	0.582	S	S	*	*	H	α-helix	trans	-73.4	-22	171.2	-72.2	179.6	5.3	0	0	114.6	E536 R538 K544	E536-Q540 WeakPolarHBondContact O-CB 3.42Å; E536-Q540 VanDerWaalsContact O-CG 3.29Å; E536-Q540 WeakPolarHBondContact O-CG 3.36Å; E536-Q540 PolarHBondContact O-N 3.45Å; R538-Q540 VanDerWaalsContact C-N 3.33Å; R538-Q540 PolarHBondContact O-N 2.81Å; Q540-K544 WeakPolarHBondContact O-CG 3.37Å; Q540-K544 PolarHBondContact O-N 2.82Å
541	L	34.7	Very low	36.3	Very low	122 Å²	122	118.2 Å²	118.2	64%	0.639	59%	0.588	S	S	*	*	H	α-helix	trans	-76.8	-31.5	167	-107.1	122.8	0	0	0	111.6	K537 R538 K544 L545	K537-L541 WeakPolarHBondContact O-CB 3.45Å; K537-L541 WeakPolarHBondContact O-CD1 3.39Å; K537-L541 PolarHBondContact O-N 3.49Å; R538-L541 CarbonylContact O-C 3.36Å; R538-L541 WeakPolarHBondContact O-CA 3.49Å; R538-L541 WeakPolarHBondContact O-CB 3.45Å; R538-L541 PolarHBondContact O-N 2.76Å; L541-K544 CarbonylContact O-C 3.57Å; L541-K544 PolarHBondContact O-N 2.89Å; L541-L545 PolarHBondContact O-N 2.68Å
542	L	37.2	Very low	36.3	Very low	89 Å²	89	117.4 Å²	117.4	47%	0.466	59%	0.592	S	S	.	*	H	α-helix	trans	-80	-32.1	177.2	-71.9	160.8	0	0	0	112.6	R538 E539 K544 L545	R538-L542 WeakPolarHBondContact O-CB 3.11Å; R538-L542 VanDerWaalsContact O-CG 3.31Å; R538-L542 WeakPolarHBondContact O-CG 3.46Å; R538-L542 PolarHBondContact O-N 2.82Å; E539-L542 CarbonylContact O-C 3.58Å; E539-L542 PolarHBondContact O-N 2.63Å; L542-K544 PolarHBondContact O-N 3.39Å; L542-L545 HydrophobicContact CD2-CD1 3.98Å; L542-L545 VanDerWaalsContact O-CB 3.27Å; L542-L545 WeakPolarHBondContact O-CB 3.34Å; L542-L545 PolarHBondContact O-N 2.97Å
543	M	34.1	Very low	36.6	Very low	150 Å²	150	122.7 Å²	122.7	74%	0.739	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-76.7	-12	165.9	-73.7	-163.3	160.7	0	0	112.9	E539 L545	E539-M543 PolarHBondContact O-N 2.96Å; M543-L545 VanDerWaalsContact C-N 3.28Å
544	K	32.2	Very low	37.2	Very low	164 Å²	164	124.3 Å²	124.3	71%	0.713	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-83.4	-0.3	161.2	-78.6	179.2	177.6	179.9	0	113.6	Q540 L541 L542 A547	Q540-K544 WeakPolarHBondContact O-CG 3.37Å; Q540-K544 PolarHBondContact O-N 2.82Å; L541-K544 CarbonylContact O-C 3.57Å; L541-K544 PolarHBondContact O-N 2.89Å; L542-K544 PolarHBondContact O-N 3.39Å; K544-A547 WeakPolarHBondContact O-CB 3.41Å
545	L	33.6	Very low	38	Very low	123 Å²	123	122.5 Å²	122.5	64%	0.644	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-89.6	-2.7	168	-92.7	154.9	0	0	0	113.5	L541 L542 M543 A547	L541-L545 PolarHBondContact O-N 2.68Å; L542-L545 HydrophobicContact CD2-CD1 3.98Å; L542-L545 VanDerWaalsContact O-CB 3.27Å; L542-L545 WeakPolarHBondContact O-CB 3.34Å; L542-L545 PolarHBondContact O-N 2.97Å; M543-L545 VanDerWaalsContact C-N 3.28Å; L545-A547 PolarHBondContact O-N 3.23Å
546	D	34.2	Very low	38.6	Very low	149 Å²	149	124.7 Å²	124.7	80%	0.797	61%	0.614	S	S	*	*	S	Bend	trans	-65.6	-12.5	159.5	-125.5	14.8	0	0	0	111.6	M548	D546-M548 PolarHBondContact O-N 2.81Å; D546-M548 VanDerWaalsContact O-N 3.07Å
547	A	32.8	Very low	39.4	Very low	69 Å²	69	120.6 Å²	120.6	57%	0.57	60%	0.599	S	S	*	*			trans	-76	87.5	165.9	0	0	0	0	0	110.7	K544 L545 Q549	K544-A547 WeakPolarHBondContact O-CB 3.41Å; L545-A547 PolarHBondContact O-N 3.23Å; A547-Q549 PolarHBondContact O-N 3.38Å
548	M	41.5	Very low	40.1	Very low	137 Å²	137	115.8 Å²	115.8	68%	0.675	58%	0.578	S	S	*	*			trans	-62.2	67.1	168.2	-64.2	174.3	88.1	0	0	112.3	D546	D546-M548 PolarHBondContact O-N 2.81Å; D546-M548 VanDerWaalsContact O-N 3.07Å
549	Q	41.9	Very low	40.9	Very low	168 Å²	168	111.2 Å²	111.2	79%	0.785	56%	0.562	S	S	*	*			trans	-156.5	88.1	176.3	-115.6	170.2	32.5	0	0	113.5	A547	A547-Q549 PolarHBondContact O-N 3.38Å
550	R	31.2	Very low	42	Very low	234 Å²	234	112.2 Å²	112.2	88%	0.883	57%	0.567	S	S	*	*			trans	166.1	82.7	149.6	-91.2	164.6	-149.7	-153.5	6.7	108.6	S552	R550-S552 VanDerWaalsContact C-N 3.26Å
551	C	39	Very low	43.2	Very low	65 Å²	65	106.5 Å²	106.5	44%	0.439	54%	0.543	S	S	.	.			cis	43	38	9.6	-69.6	0	0	0	0	115.6
552	S	36.1	Very low	44.5	Very low	99 Å²	99	103.2 Å²	103.2	69%	0.692	52%	0.523	S	S	*	.	S	Bend	trans	-90	113.8	158	-172.7	0	0	0	0	106.8	R550	R550-S552 VanDerWaalsContact C-N 3.26Å
553	K	45.2	Very low	45.7	Very low	200 Å²	200	103.2 Å²	103.2	87%	0.87	52%	0.521	S	S	*	.	S	Bend	trans	71.3	56.5	-174.1	-50.4	-174.9	176.2	-169.7	0	116.6
554	L	49.1	Very low	47.1	Very low	79 Å²	79	98.5 Å²	98.5	41%	0.414	50%	0.498	S	S	.	.			trans	-128.5	144.5	150.3	-66.7	175.1	0	0	0	108.2	K558	L554-K558 HydrophobicContact CD2-CD 3.81Å; L554-K558 HydrophobicContact CD2-CG 4.24Å
555	S	55.8	Low	48.8	Very low	43 Å²	43	92 Å²	92	30%	0.301	47%	0.47	S	S	.	.			trans	-78.2	157.3	177.1	59.9	0	0	0	0	111.1	G557 K558 Q559 D776	S555-G557 VanDerWaalsContact C-N 3.34Å; S555-G557 PolarHBondContact O-N 2.89Å; S555-K558 WeakPolarHBondContact O-CB 3.38Å; S555-K558 PolarHBondContact O-N 2.79Å; S555-K558 WeakPolarHBondContact OG-CB 3.23Å; S555-Q559 PolarHBondContact O-N 2.53Å; S555-Q559 VanDerWaalsContact O-N 3.11Å; S555-D776 VanDerWaalsContact CB-OD2 3.23Å; S555-D776 WeakPolarHBondContact CB-OD2 3.44Å; S555-D776 PolarHBondContact OG-OD2 2.97Å
556	M	49.1	Very low	50.3	Low	140 Å²	140	88.5 Å²	88.5	69%	0.69	45%	0.452	S	S	*	.	H	α-helix	trans	-54	-47.2	-177.3	-72.8	-62.1	-59.7	0	0	112.7	K558 Q559 E560	M556-K558 PolarHBondContact O-N 3.28Å; M556-Q559 PolarHBondContact O-N 3.27Å; M556-E560 PolarHBondContact O-N 2.55Å
557	G	53.5	Low	51.7	Low	15 Å²	15	88.2 Å²	88.2	16%	0.155	44%	0.439	C	S	.	.	H	α-helix	trans	-64	-28	178.6	0	0	0	0	0	113.9	S555 A561	S555-G557 VanDerWaalsContact C-N 3.34Å; S555-G557 PolarHBondContact O-N 2.89Å; G557-A561 WeakPolarHBondContact O-CB 3.43Å; G557-A561 PolarHBondContact O-N 3.16Å; G557-A561 VanDerWaalsContact O-N 3.12Å
558	K	54.7	Low	53	Low	41 Å²	41	89.5 Å²	89.5	18%	0.178	44%	0.437	C	S	.	.	H	α-helix	trans	-79	-20.7	175.4	-165.1	164.2	-178	175.8	0	112.7	L554 S555 M556 F562 F666 W670	L554-K558 HydrophobicContact CD2-CD 3.81Å; L554-K558 HydrophobicContact CD2-CG 4.24Å; S555-K558 WeakPolarHBondContact O-CB 3.38Å; S555-K558 PolarHBondContact O-N 2.79Å; S555-K558 WeakPolarHBondContact OG-CB 3.23Å; M556-K558 PolarHBondContact O-N 3.28Å; K558-F562 PolarHBondContact O-N 2.97Å; K558-F666 HydrophobicContact CG-CE1 4.35Å; K558-F666 HydrophobicContact CG-CZ 4.19Å; K558-W670 HydrophobicContact CB-CH2 3.99Å; K558-W670 HydrophobicContact CB-CZ2 4.1Å; K558-W670 HydrophobicContact CD-CD2 4.41Å; K558-W670 HydrophobicContact CD-CH2 4.45Å; K558-W670 HydrophobicContact CD-CZ2 3.79Å; K558-W670 HydrophobicContact CG-CD2 4.24Å; K558-W670 HydrophobicContact CG-CE3 4.37Å; K558-W670 HydrophobicContact CG-CH2 3.97Å; K558-W670 HydrophobicContact CG-CZ2 3.81Å; K558-W670 HydrophobicContact CG-CZ3 4.26Å
559	Q	53.6	Low	54.2	Low	50 Å²	50	84.5 Å²	84.5	23%	0.234	41%	0.411	C	S	.	.	H	α-helix	trans	-80.9	-45.3	170.2	-173	168.7	-36.7	0	0	111.7	S555 M556 A561 F562 E563	S555-Q559 PolarHBondContact O-N 2.53Å; S555-Q559 VanDerWaalsContact O-N 3.11Å; M556-Q559 PolarHBondContact O-N 3.27Å; Q559-A561 VanDerWaalsContact C-N 3.27Å; Q559-A561 PolarHBondContact O-N 2.78Å; Q559-F562 WeakPolarHBondContact O-CB 3.36Å; Q559-F562 PolarHBondContact O-N 3.06Å; Q559-E563 PolarHBondContact NE2-OE1 2.7Å; Q559-E563 PolarHBondContact O-N 3.39Å; Q559-E563 VanDerWaalsContact O-N 3.07Å
560	E	58.7	Low	55.1	Low	86 Å²	86	84.1 Å²	84.1	40%	0.402	41%	0.41	S	S	.	.	H	α-helix	trans	-56.5	-42.4	173.1	-70.1	-179.7	-168	0	0	111.7	M556 F562 E563 I564 F780	M556-E560 PolarHBondContact O-N 2.55Å; E560-F562 VanDerWaalsContact C-N 3.31Å; E560-F562 PolarHBondContact O-N 2.84Å; E560-E563 PolarHBondContact O-N 2.92Å; E560-I564 WeakPolarHBondContact O-CG1 3.49Å; E560-I564 PolarHBondContact O-N 3.47Å; E560-I564 VanDerWaalsContact O-N 3.1Å; E560-F780 WeakPolarHBondContact OE2-CE2 3.21Å
561	A	59.3	Low	56.4	Low	14 Å²	14	74.4 Å²	74.4	12%	0.116	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-28.2	176	0	0	0	0	0	113.7	G557 Q559 F565 W669 W670	G557-A561 WeakPolarHBondContact O-CB 3.43Å; G557-A561 PolarHBondContact O-N 3.16Å; G557-A561 VanDerWaalsContact O-N 3.12Å; Q559-A561 VanDerWaalsContact C-N 3.27Å; Q559-A561 PolarHBondContact O-N 2.78Å; A561-F565 VanDerWaalsContact O-CB 3.23Å; A561-F565 WeakPolarHBondContact O-CB 3.46Å; A561-F565 PolarHBondContact O-N 3.3Å; A561-W669 HydrophobicContact CB-CZ3 4.33Å; A561-W670 HydrophobicContact CB-CE3 4.18Å; A561-W670 HydrophobicContact CB-CH2 4.48Å; A561-W670 HydrophobicContact CB-CZ3 3.52Å
562	F	60.9	Low	57.6	Low	52 Å²	52	74.1 Å²	74.1	23%	0.228	37%	0.366	C	S	.	.	H	α-helix	trans	-71.9	-40.8	175.4	-177.1	-117	0	0	0	111.7	K558 Q559 E560 F565 I566 I662 F666	K558-F562 PolarHBondContact O-N 2.97Å; Q559-F562 WeakPolarHBondContact O-CB 3.36Å; Q559-F562 PolarHBondContact O-N 3.06Å; E560-F562 VanDerWaalsContact C-N 3.31Å; E560-F562 PolarHBondContact O-N 2.84Å; F562-F565 PolarHBondContact O-N 3.42Å; F562-I566 HydrophobicContact CD1-CD1 4.02Å; F562-I566 HydrophobicContact CE1-CD1 3.49Å; F562-I566 VanDerWaalsContact CE1-CD1 3.49Å; F562-I566 HydrophobicContact CE2-CD1 4.09Å; F562-I566 HydrophobicContact CE2-CG1 4.38Å; F562-I566 HydrophobicContact CZ-CD1 3.54Å; F562-I566 HydrophobicContact CZ-CG1 4.31Å; F562-I566 WeakPolarHBondContact O-CB 3.34Å; F562-I566 WeakPolarHBondContact O-CG1 3.37Å; F562-I566 PolarHBondContact O-N 3.04Å; F562-I662 HydrophobicContact CE2-CG2 3.89Å; F562-I662 HydrophobicContact CZ-CG2 4.05Å; F562-F666 HydrophobicContact CB-CD2 4.5Å; F562-F666 HydrophobicContact CB-CE1 4.17Å; F562-F666 HydrophobicContact CB-CE2 3.99Å; F562-F666 HydrophobicContact CB-CZ 3.81Å; F562-F666 HydrophobicContact CD2-CB 3.98Å; F562-F666 AromaticContact CD2-CD1 3.54Å; F562-F666 HydrophobicContact CD2-CD1 3.54Å; F562-F666 AromaticContact CD2-CD2 3.78Å; F562-F666 HydrophobicContact CD2-CD2 3.78Å; F562-F666 AromaticContact CD2-CE1 3.87Å; F562-F666 HydrophobicContact CD2-CE1 3.87Å; F562-F666 HydrophobicContact CD2-CE2 4.09Å; F562-F666 AromaticContact CD2-CG 3.48Å; F562-F666 HydrophobicContact CD2-CG 3.48Å; F562-F666 VanDerWaalsContact CD2-CG 3.48Å; F562-F666 HydrophobicContact CD2-CZ 4.14Å; F562-F666 HydrophobicContact CE2-CB 4.01Å; F562-F666 HydrophobicContact CE2-CD1 4.08Å; F562-F666 HydrophobicContact CE2-CG 4Å; F562-F666 HydrophobicContact CG-CD1 4.48Å; F562-F666 HydrophobicContact CG-CE1 4.41Å; F562-F666 HydrophobicContact CG-CZ 4.46Å
563	E	62.2	Low	58.9	Low	90 Å²	90	76.5 Å²	76.5	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-40.3	176.9	-68.7	169.8	-164.8	0	0	111.3	Q559 E560 R567	Q559-E563 PolarHBondContact NE2-OE1 2.7Å; Q559-E563 PolarHBondContact O-N 3.39Å; Q559-E563 VanDerWaalsContact O-N 3.07Å; E560-E563 PolarHBondContact O-N 2.92Å; E563-R567 PolarHBondContact O-N 3.17Å; E563-R567 VanDerWaalsContact O-N 3.13Å
564	I	64.8	Low	59.7	Low	50 Å²	50	67.5 Å²	67.5	26%	0.256	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-45.7	172.2	-67.3	165.4	0	0	0	111.4	E560 I566 R567 D568 L787	E560-I564 WeakPolarHBondContact O-CG1 3.49Å; E560-I564 PolarHBondContact O-N 3.47Å; E560-I564 VanDerWaalsContact O-N 3.1Å; I564-I566 VanDerWaalsContact C-N 3.32Å; I564-I566 PolarHBondContact O-N 3.25Å; I564-R567 PolarHBondContact O-N 3.25Å; I564-D568 PolarHBondContact O-N 3.24Å; I564-D568 VanDerWaalsContact O-N 3.08Å; I564-L787 HydrophobicContact CD1-CD1 3.91Å; I564-L787 HydrophobicContact CD1-CD2 4.36Å
565	F	68.3	Low	60.4	Low	28 Å²	28	66 Å²	66	12%	0.123	32%	0.32	C	S	.	.	H	α-helix	trans	-59.9	-41.5	177.5	173.9	-94.6	0	0	0	112.1	A561 F562 D568 H569 I662 D665 F666 W669	A561-F565 VanDerWaalsContact O-CB 3.23Å; A561-F565 WeakPolarHBondContact O-CB 3.46Å; A561-F565 PolarHBondContact O-N 3.3Å; F562-F565 PolarHBondContact O-N 3.42Å; F565-D568 PolarHBondContact O-N 3.24Å; F565-H569 AromaticContact CE1-CD2 3.43Å; F565-H569 VanDerWaalsContact CE1-CD2 3.43Å; F565-H569 WeakPolarHBondContact CE1-CD2 3.29Å; F565-H569 AromaticContact CE1-NE2 3.95Å; F565-H569 AromaticContact CZ-CD2 3.7Å; F565-H569 AromaticContact CZ-NE2 3.97Å; F565-H569 WeakPolarHBondContact O-CB 3.38Å; F565-H569 PolarHBondContact O-N 3.14Å; F565-H569 VanDerWaalsContact O-N 3.15Å; F565-I662 HydrophobicContact CE1-CG2 4.35Å; F565-D665 HydrophobicContact CZ-CB 4.17Å; F565-F666 HydrophobicContact CB-CD2 3.79Å; F565-F666 HydrophobicContact CB-CE2 4.21Å; F565-F666 HydrophobicContact CD1-CB 3.7Å; F565-F666 AromaticContact CD1-CD2 3.8Å; F565-F666 HydrophobicContact CD1-CD2 3.8Å; F565-F666 HydrophobicContact CD1-CG 4.2Å; F565-F666 HydrophobicContact CD2-CD2 4.3Å; F565-F666 HydrophobicContact CE1-CB 3.63Å; F565-F666 HydrophobicContact CE1-CD2 4.49Å; F565-F666 HydrophobicContact CG-CB 4.36Å; F565-F666 AromaticContact CG-CD2 3.69Å; F565-F666 HydrophobicContact CG-CD2 3.69Å; F565-F666 HydrophobicContact CZ-CB 4.24Å; F565-W669 HydrophobicContact CB-CE3 4.38Å; F565-W669 HydrophobicContact CB-CZ3 4.4Å; F565-W669 HydrophobicContact CD2-CB 4.05Å; F565-W669 AromaticContact CD2-CD2 3.68Å; F565-W669 HydrophobicContact CD2-CD2 3.68Å; F565-W669 AromaticContact CD2-CE3 3.87Å; F565-W669 HydrophobicContact CD2-CE3 3.87Å; F565-W669 AromaticContact CD2-CG 3.75Å; F565-W669 HydrophobicContact CD2-CG 3.75Å; F565-W669 HydrophobicContact CE2-CB 3.64Å; F565-W669 HydrophobicContact CE2-CD2 4.2Å; F565-W669 AromaticContact CE2-CG 3.76Å; F565-W669 HydrophobicContact CE2-CG 3.76Å; F565-W669 HydrophobicContact CG-CE3 4.37Å; F565-W669 HydrophobicContact CZ-CB 4.47Å
566	I	64.3	Low	61	Low	50 Å²	50	69 Å²	69	26%	0.256	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-49.4	176.2	-81.7	179.6	0	0	0	111.1	F562 I564 D568 H569 H572 I662	F562-I566 HydrophobicContact CD1-CD1 4.02Å; F562-I566 HydrophobicContact CE1-CD1 3.49Å; F562-I566 VanDerWaalsContact CE1-CD1 3.49Å; F562-I566 HydrophobicContact CE2-CD1 4.09Å; F562-I566 HydrophobicContact CE2-CG1 4.38Å; F562-I566 HydrophobicContact CZ-CD1 3.54Å; F562-I566 HydrophobicContact CZ-CG1 4.31Å; F562-I566 WeakPolarHBondContact O-CB 3.34Å; F562-I566 WeakPolarHBondContact O-CG1 3.37Å; F562-I566 PolarHBondContact O-N 3.04Å; I564-I566 VanDerWaalsContact C-N 3.32Å; I564-I566 PolarHBondContact O-N 3.25Å; I566-D568 VanDerWaalsContact C-N 3.27Å; I566-D568 PolarHBondContact O-N 3.2Å; I566-H569 VanDerWaalsContact O-CB 3.3Å; I566-H569 WeakPolarHBondContact O-CB 3.38Å; I566-H569 PolarHBondContact O-N 3.42Å; I566-H572 PolarHBondContact O-CD2 3.12Å; I566-H572 VanDerWaalsContact O-CD2 3.27Å; I566-I662 HydrophobicContact CD1-CG2 4.04Å; I566-I662 HydrophobicContact CG1-CG2 3.77Å
567	R	63.6	Low	62	Low	143 Å²	143	67.4 Å²	67.4	54%	0.54	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-38.2	-179.4	-171.7	-163.1	66	-144.2	-9.8	112.4	E563 I564	E563-R567 PolarHBondContact O-N 3.17Å; E563-R567 VanDerWaalsContact O-N 3.13Å; I564-R567 PolarHBondContact O-N 3.25Å
568	D	59.4	Low	62.7	Low	96 Å²	96	67.4 Å²	67.4	51%	0.513	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	8.4	-176	-60	-3.4	0	0	0	112.6	I564 F565 I566	I564-D568 PolarHBondContact O-N 3.24Å; I564-D568 VanDerWaalsContact O-N 3.08Å; F565-D568 PolarHBondContact O-N 3.24Å; I566-D568 VanDerWaalsContact C-N 3.27Å; I566-D568 PolarHBondContact O-N 3.2Å
569	H	68.4	Low	63.4	Low	31 Å²	31	68.1 Å²	68.1	14%	0.144	33%	0.327	C	S	.	.	S	Bend	trans	-79.8	140.4	-178.7	-158.3	-43.9	0	0	0	112.5	F565 I566 E571 H572	F565-H569 AromaticContact CE1-CD2 3.43Å; F565-H569 VanDerWaalsContact CE1-CD2 3.43Å; F565-H569 WeakPolarHBondContact CE1-CD2 3.29Å; F565-H569 AromaticContact CE1-NE2 3.95Å; F565-H569 AromaticContact CZ-CD2 3.7Å; F565-H569 AromaticContact CZ-NE2 3.97Å; F565-H569 WeakPolarHBondContact O-CB 3.38Å; F565-H569 PolarHBondContact O-N 3.14Å; F565-H569 VanDerWaalsContact O-N 3.15Å; I566-H569 VanDerWaalsContact O-CB 3.3Å; I566-H569 WeakPolarHBondContact O-CB 3.38Å; I566-H569 PolarHBondContact O-N 3.42Å; H569-E571 PolarHBondContact O-N 3.43Å; H569-H572 PolarHBondContact O-N 2.81Å; H569-H572 VanDerWaalsContact O-N 3.12Å
570	E	60.6	Low	64.3	Low	160 Å²	160	70 Å²	70	75%	0.748	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-14.3	176.9	-63.1	-174.5	148.1	0	0	115.5
571	E	57	Low	65	Low	30 Å²	30	68.9 Å²	68.9	14%	0.14	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-1.1	-173.5	-73.1	166.2	-152	0	0	114.3	H569 Q573 T574 I575 K661	H569-E571 PolarHBondContact O-N 3.43Å; E571-Q573 PolarHBondContact O-N 3.49Å; E571-T574 WeakPolarHBondContact O-CB 3.46Å; E571-T574 PolarHBondContact O-N 2.96Å; E571-T574 VanDerWaalsContact O-N 3.13Å; E571-I575 HydrophobicContact CB-CD1 4.24Å; E571-I575 WeakPolarHBondContact O-CD1 3.44Å; E571-I575 WeakPolarHBondContact O-CG1 3.42Å; E571-I575 PolarHBondContact O-N 3.3Å; E571-K661 VanDerWaalsContact OE1-CE 3.24Å; E571-K661 WeakPolarHBondContact OE1-CE 3.4Å; E571-K661 IonicContact OE1-NZ 2.89Å; E571-K661 PolarHBondContact OE1-NZ 3.41Å; E571-K661 VanDerWaalsContact OE2-CE 3.28Å; E571-K661 WeakPolarHBondContact OE2-CE 3.37Å; E571-K661 IonicContact OE2-NZ 3.48Å; E571-K661 PolarHBondContact OE2-NZ 2.87Å
572	H	66.1	Low	65.5	Low	60 Å²	60	69.4 Å²	69.4	28%	0.278	34%	0.336	S	S	.	.	H	α-helix	trans	-52.6	-52.7	-175.2	-175.5	-78.8	0	0	0	113.3	I566 H569 T574 I575 E576	I566-H572 PolarHBondContact O-CD2 3.12Å; I566-H572 VanDerWaalsContact O-CD2 3.27Å; H569-H572 PolarHBondContact O-N 2.81Å; H569-H572 VanDerWaalsContact O-N 3.12Å; H572-T574 VanDerWaalsContact C-N 3.3Å; H572-T574 PolarHBondContact O-N 3.32Å; H572-I575 WeakPolarHBondContact O-CB 3.47Å; H572-I575 PolarHBondContact O-N 3.34Å; H572-I575 VanDerWaalsContact O-N 3.08Å; H572-E576 IonicContact CE1-OE2 3.9Å; H572-E576 PolarHBondContact CE1-OE2 3.18Å; H572-E576 IonicContact ND1-OE2 2.67Å; H572-E576 PolarHBondContact O-N 3.1Å
573	Q	61.6	Low	66.1	Low	148 Å²	148	73.2 Å²	73.2	69%	0.692	35%	0.352	S	S	*	.	H	α-helix	trans	-58.7	-42.5	-179.4	-68.7	177.9	-21.6	0	0	111.6	E571 I575 E576 E577	E571-Q573 PolarHBondContact O-N 3.49Å; Q573-I575 VanDerWaalsContact C-N 3.27Å; Q573-I575 PolarHBondContact O-N 3.5Å; Q573-E576 PolarHBondContact O-N 3.14Å; Q573-E577 WeakPolarHBondContact O-CB 3.43Å; Q573-E577 WeakPolarHBondContact O-CG 3.46Å; Q573-E577 PolarHBondContact O-N 3.42Å
574	T	62	Low	66.9	Low	12 Å²	12	74.3 Å²	74.3	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-64.9	-30.8	178.3	-38.8	0	0	0	0	112.3	E112 R113 E571 H572 N578	E112-T574 HydrophobicContact CB-CG2 4Å; E112-T574 WeakPolarHBondContact O-CG2 3.47Å; R113-T574 HydrophobicContact CG-CG2 3.75Å; E571-T574 WeakPolarHBondContact O-CB 3.46Å; E571-T574 PolarHBondContact O-N 2.96Å; E571-T574 VanDerWaalsContact O-N 3.13Å; H572-T574 VanDerWaalsContact C-N 3.3Å; H572-T574 PolarHBondContact O-N 3.32Å; T574-N578 WeakPolarHBondContact O-CB 3.49Å; T574-N578 PolarHBondContact O-N 3.1Å; T574-N578 PolarHBondContact O-ND2 3.04Å
575	I	65.5	Low	67.3	Low	46 Å²	46	74.8 Å²	74.8	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-75.4	-39.9	175.9	-64.6	156.7	0	0	0	110.8	E571 H572 Q573 N578 S579 M655 V658 I662	E571-I575 HydrophobicContact CB-CD1 4.24Å; E571-I575 WeakPolarHBondContact O-CD1 3.44Å; E571-I575 WeakPolarHBondContact O-CG1 3.42Å; E571-I575 PolarHBondContact O-N 3.3Å; H572-I575 WeakPolarHBondContact O-CB 3.47Å; H572-I575 PolarHBondContact O-N 3.34Å; H572-I575 VanDerWaalsContact O-N 3.08Å; Q573-I575 VanDerWaalsContact C-N 3.27Å; Q573-I575 PolarHBondContact O-N 3.5Å; I575-N578 PolarHBondContact O-N 3.07Å; I575-S579 WeakPolarHBondContact O-CB 3.19Å; I575-S579 PolarHBondContact O-N 3.18Å; I575-M655 HydrophobicContact CG2-CE 4.13Å; I575-V658 HydrophobicContact CD1-CG1 3.51Å; I575-V658 HydrophobicContact CG1-CG1 3.66Å; I575-I662 HydrophobicContact CD1-CD1 3.41Å; I575-I662 VanDerWaalsContact CD1-CD1 3.41Å
576	E	66.6	Low	67.6	Low	106 Å²	106	74.7 Å²	74.7	50%	0.495	36%	0.359	S	S	.	.	H	α-helix	trans	-64.9	-44	175.6	-169	169.4	-173.5	0	0	111.1	H572 Q573 S579 N580	H572-E576 IonicContact CE1-OE2 3.9Å; H572-E576 PolarHBondContact CE1-OE2 3.18Å; H572-E576 IonicContact ND1-OE2 2.67Å; H572-E576 PolarHBondContact O-N 3.1Å; Q573-E576 PolarHBondContact O-N 3.14Å; E576-S579 PolarHBondContact O-N 2.96Å; E576-N580 WeakPolarHBondContact O-CB 3.21Å; E576-N580 PolarHBondContact O-N 3.4Å; E576-N580 PolarHBondContact O-ND2 3.01Å
577	E	70.4	Confident	68.1	Low	108 Å²	108	74.7 Å²	74.7	51%	0.505	36%	0.359	S	S	.	.	H	α-helix	trans	-57	-53.4	170.2	-74.8	175.8	-177.4	0	0	111.8	Q573 S579 N580 I581	Q573-E577 WeakPolarHBondContact O-CB 3.43Å; Q573-E577 WeakPolarHBondContact O-CG 3.46Å; Q573-E577 PolarHBondContact O-N 3.42Å; E577-S579 VanDerWaalsContact C-N 3.3Å; E577-S579 PolarHBondContact O-N 2.9Å; E577-N580 PolarHBondContact O-N 3.35Å; E577-I581 VanDerWaalsContact O-CG1 3.3Å; E577-I581 WeakPolarHBondContact O-CG1 3.48Å; E577-I581 PolarHBondContact O-N 2.95Å
578	N	68	Low	68.9	Low	15 Å²	15	70 Å²	70	8%	0.08	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-31.5	-179.8	-80.8	-69.9	0	0	0	112.9	E112 T574 I575 L582	E112-N578 PolarHBondContact O-ND2 3.1Å; T574-N578 WeakPolarHBondContact O-CB 3.49Å; T574-N578 PolarHBondContact O-N 3.1Å; T574-N578 PolarHBondContact O-ND2 3.04Å; I575-N578 PolarHBondContact O-N 3.07Å; N578-L582 VanDerWaalsContact O-CB 3.25Å; N578-L582 WeakPolarHBondContact O-CB 3.32Å; N578-L582 PolarHBondContact O-N 3.14Å
579	S	70.3	Confident	69.6	Low	55 Å²	55	66.2 Å²	66.2	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-44.5	172.1	-170.6	0	0	0	0	111.6	I575 E576 E577 L582 K583	I575-S579 WeakPolarHBondContact O-CB 3.19Å; I575-S579 PolarHBondContact O-N 3.18Å; E576-S579 PolarHBondContact O-N 2.96Å; E577-S579 VanDerWaalsContact C-N 3.3Å; E577-S579 PolarHBondContact O-N 2.9Å; S579-L582 PolarHBondContact O-N 3.4Å; S579-K583 WeakPolarHBondContact O-CB 3.49Å; S579-K583 PolarHBondContact O-N 3.35Å
580	N	73.2	Confident	70.1	Confident	91 Å²	91	69.6 Å²	69.6	49%	0.487	34%	0.337	S	S	.	.	H	α-helix	trans	-66	-40.9	176.8	-74.4	-43.8	0	0	0	112	E576 E577 K583 E584	E576-N580 WeakPolarHBondContact O-CB 3.21Å; E576-N580 PolarHBondContact O-N 3.4Å; E576-N580 PolarHBondContact O-ND2 3.01Å; E577-N580 PolarHBondContact O-N 3.35Å; N580-K583 WeakPolarHBondContact O-CB 3.39Å; N580-K583 PolarHBondContact O-N 3.35Å; N580-E584 PolarHBondContact O-N 3.28Å
581	I	72.3	Confident	71	Confident	61 Å²	61	68.3 Å²	68.3	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-45.6	174.5	-64.8	163.1	0	0	0	110.7	E577 K583 E584 R585 L651	E577-I581 VanDerWaalsContact O-CG1 3.3Å; E577-I581 WeakPolarHBondContact O-CG1 3.48Å; E577-I581 PolarHBondContact O-N 2.95Å; I581-K583 VanDerWaalsContact C-N 3.26Å; I581-K583 PolarHBondContact O-N 3.43Å; I581-E584 PolarHBondContact O-N 2.94Å; I581-R585 HydrophobicContact CG2-CG 4.25Å; I581-R585 WeakPolarHBondContact O-CG 3.38Å; I581-R585 PolarHBondContact O-N 3Å; I581-L651 HydrophobicContact CG2-CD1 3.9Å
582	L	70.3	Confident	72	Confident	26 Å²	26	67.8 Å²	67.8	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-57.7	-40.6	176.3	174.6	61.3	0	0	0	111.6	N578 S579 S586 I648 L651 Q652 M655	N578-L582 VanDerWaalsContact O-CB 3.25Å; N578-L582 WeakPolarHBondContact O-CB 3.32Å; N578-L582 PolarHBondContact O-N 3.14Å; S579-L582 PolarHBondContact O-N 3.4Å; L582-S586 VanDerWaalsContact O-CB 3.3Å; L582-S586 WeakPolarHBondContact O-CB 3.33Å; L582-S586 PolarHBondContact O-N 2.98Å; L582-S586 PolarHBondContact O-OG 3.05Å; L582-I648 HydrophobicContact CD1-CB 4.37Å; L582-I648 HydrophobicContact CD1-CG1 4.45Å; L582-I648 HydrophobicContact CD1-CG2 3.91Å; L582-L651 HydrophobicContact CB-CB 4.38Å; L582-L651 HydrophobicContact CB-CD1 4.43Å; L582-L651 HydrophobicContact CD1-CB 4Å; L582-Q652 HydrophobicContact CD1-CG 3.95Å; L582-Q652 HydrophobicContact CD2-CG 4.04Å; L582-M655 HydrophobicContact CD2-SD 3.62Å
583	K	73.8	Confident	72.3	Confident	132 Å²	132	65.7 Å²	65.7	57%	0.574	32%	0.318	S	S	*	.	H	α-helix	trans	-64.9	-49.5	174.4	-175.3	179.6	178.3	-177.9	0	112	S579 N580 I581 R585 S586 D587	S579-K583 WeakPolarHBondContact O-CB 3.49Å; S579-K583 PolarHBondContact O-N 3.35Å; N580-K583 WeakPolarHBondContact O-CB 3.39Å; N580-K583 PolarHBondContact O-N 3.35Å; I581-K583 VanDerWaalsContact C-N 3.26Å; I581-K583 PolarHBondContact O-N 3.43Å; K583-R585 PolarHBondContact O-N 3.29Å; K583-S586 WeakPolarHBondContact O-CB 3.45Å; K583-S586 PolarHBondContact O-N 3.44Å; K583-D587 PolarHBondContact O-N 3.34Å
584	E	78.3	Confident	73.2	Confident	112 Å²	112	64.5 Å²	64.5	52%	0.523	31%	0.312	S	S	.	.	H	α-helix	trans	-58	-46.9	178.9	-177.9	-178.4	-138.3	0	0	112.3	N580 I581 D587 E588	N580-E584 PolarHBondContact O-N 3.28Å; I581-E584 PolarHBondContact O-N 2.94Å; E584-D587 CarbonylContact O-C 3.6Å; E584-D587 PolarHBondContact O-N 2.94Å; E584-E588 PolarHBondContact O-N 3.06Å
585	R	74.2	Confident	73.8	Confident	60 Å²	60	68.9 Å²	68.9	23%	0.226	33%	0.332	C	S	.	.	H	α-helix	trans	-68.8	-33.5	178.5	-59.9	-57.8	168.7	101.6	6.1	112.2	I581 K583 E588 A589 L644 E647 I648	I581-R585 HydrophobicContact CG2-CG 4.25Å; I581-R585 WeakPolarHBondContact O-CG 3.38Å; I581-R585 PolarHBondContact O-N 3Å; K583-R585 PolarHBondContact O-N 3.29Å; R585-E588 PolarHBondContact O-N 2.93Å; R585-A589 WeakPolarHBondContact O-CB 3.43Å; R585-A589 PolarHBondContact O-N 3.12Å; R585-L644 HydrophobicContact CB-CD2 4.23Å; R585-L644 HydrophobicContact CG-CD2 4.46Å; R585-E647 WeakPolarHBondContact CD-OE2 3.44Å; R585-E647 IonicContact CZ-OE1 2.78Å; R585-E647 IonicContact CZ-OE2 3.74Å; R585-E647 IonicContact NE-OE2 2.74Å; R585-E647 IonicContact NH1-OE1 2.71Å; R585-E647 PolarHBondContact NH1-OE1 3.32Å; R585-E647 IonicContact NH1-OE2 2.67Å; R585-E647 PolarHBondContact NH1-OE2 3.03Å; R585-I648 HydrophobicContact CB-CD1 4.45Å; R585-I648 HydrophobicContact CB-CG1 4.04Å
586	S	73.1	Confident	74.3	Confident	27 Å²	27	67.4 Å²	67.4	19%	0.189	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-41.8	171.1	-59.1	0	0	0	0	111.6	L582 K583 A589 R590	L582-S586 VanDerWaalsContact O-CB 3.3Å; L582-S586 WeakPolarHBondContact O-CB 3.33Å; L582-S586 PolarHBondContact O-N 2.98Å; L582-S586 PolarHBondContact O-OG 3.05Å; K583-S586 WeakPolarHBondContact O-CB 3.45Å; K583-S586 PolarHBondContact O-N 3.44Å; S586-A589 PolarHBondContact O-N 3.03Å; S586-R590 WeakPolarHBondContact O-CB 3.39Å; S586-R590 PolarHBondContact O-N 3.16Å
587	D	76.1	Confident	74.9	Confident	49 Å²	49	69 Å²	69	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-35	175.2	-69.8	-25.1	0	0	0	112.2	K583 E584 R590 R591	K583-D587 PolarHBondContact O-N 3.34Å; E584-D587 CarbonylContact O-C 3.6Å; E584-D587 PolarHBondContact O-N 2.94Å; D587-R590 IonicContact OD1-CZ 3.25Å; D587-R590 IonicContact OD1-NH1 2.64Å; D587-R590 PolarHBondContact OD1-NH1 3.37Å; D587-R590 IonicContact OD1-NH2 3.15Å; D587-R590 PolarHBondContact OD1-NH2 3.47Å; D587-R591 VanDerWaalsContact O-CG 3.32Å; D587-R591 WeakPolarHBondContact O-CG 3.12Å; D587-R591 PolarHBondContact O-N 2.83Å; D587-R591 PolarHBondContact O-NE 2.92Å
588	E	79.2	Confident	75	Confident	45 Å²	45	64.9 Å²	64.9	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-48.8	169.6	-165.1	-169.6	149.8	0	0	111.5	E584 R585 R590 R591 L592 R640 L644	E584-E588 PolarHBondContact O-N 3.06Å; R585-E588 PolarHBondContact O-N 2.93Å; E588-R590 VanDerWaalsContact C-N 3.34Å; E588-R590 PolarHBondContact O-N 2.76Å; E588-R591 PolarHBondContact O-N 3.34Å; E588-L592 HydrophobicContact CG-CD1 4.12Å; E588-L592 PolarHBondContact O-N 2.99Å; E588-R640 IonicContact OE1-CZ 2.97Å; E588-R640 VanDerWaalsContact OE1-CZ 3.25Å; E588-R640 IonicContact OE1-NE 2.74Å; E588-R640 PolarHBondContact OE1-NE 3.36Å; E588-R640 IonicContact OE1-NH2 2.68Å; E588-R640 PolarHBondContact OE1-NH2 3.32Å; E588-R640 IonicContact OE2-NH2 3.19Å; E588-R640 PolarHBondContact OE2-NH2 2.78Å; E588-R640 VanDerWaalsContact OE2-NH2 3.15Å; E588-L644 HydrophobicContact CB-CD1 4.14Å; E588-L644 HydrophobicContact CG-CD1 3.84Å
589	A	74.9	Confident	75.2	Confident	17 Å²	17	64.4 Å²	64.4	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-39.6	178.3	0	0	0	0	0	112.2	R585 S586 L592 G593 L641 L644 I648	R585-A589 WeakPolarHBondContact O-CB 3.43Å; R585-A589 PolarHBondContact O-N 3.12Å; S586-A589 PolarHBondContact O-N 3.03Å; A589-L592 PolarHBondContact O-N 2.98Å; A589-G593 PolarHBondContact O-N 3.21Å; A589-L641 HydrophobicContact CB-CD1 3.9Å; A589-L641 WeakPolarHBondContact O-CD1 3.39Å; A589-L644 HydrophobicContact CB-CB 4.32Å; A589-L644 HydrophobicContact CB-CD1 4.26Å; A589-I648 HydrophobicContact CB-CD1 3.91Å
590	R	77.8	Confident	75.3	Confident	102 Å²	102	68.8 Å²	68.8	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-49.8	175.7	-152.6	-177.2	-50.9	101.9	5.5	111.1	E539 S586 D587 E588 L592 G593 E594	E539-R590 IonicContact OE1-CZ 3.11Å; E539-R590 IonicContact OE1-NE 2.84Å; E539-R590 IonicContact OE1-NH2 3.21Å; E539-R590 PolarHBondContact OE1-NH2 2.71Å; E539-R590 IonicContact OE2-NE 3.26Å; S586-R590 WeakPolarHBondContact O-CB 3.39Å; S586-R590 PolarHBondContact O-N 3.16Å; D587-R590 IonicContact OD1-CZ 3.25Å; D587-R590 IonicContact OD1-NH1 2.64Å; D587-R590 PolarHBondContact OD1-NH1 3.37Å; D587-R590 IonicContact OD1-NH2 3.15Å; D587-R590 PolarHBondContact OD1-NH2 3.47Å; E588-R590 VanDerWaalsContact C-N 3.34Å; E588-R590 PolarHBondContact O-N 2.76Å; R590-L592 PolarHBondContact O-N 3.26Å; R590-G593 PolarHBondContact O-N 2.99Å; R590-E594 WeakPolarHBondContact O-CG 3.48Å; R590-E594 PolarHBondContact O-N 3.42Å
591	R	80.3	Confident	75.4	Confident	133 Å²	133	68.9 Å²	68.9	50%	0.502	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-41.9	176.7	-73.7	173.7	-72	179.5	0.3	112.5	D587 E588 E594 Q595	D587-R591 VanDerWaalsContact O-CG 3.32Å; D587-R591 WeakPolarHBondContact O-CG 3.12Å; D587-R591 PolarHBondContact O-N 2.83Å; D587-R591 PolarHBondContact O-NE 2.92Å; E588-R591 PolarHBondContact O-N 3.34Å; R591-E594 PolarHBondContact O-N 3.1Å; R591-Q595 WeakPolarHBondContact O-CG 3.41Å; R591-Q595 PolarHBondContact O-N 2.89Å
592	L	77.6	Confident	75.3	Confident	19 Å²	19	72 Å²	72	10%	0.099	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-35.6	176.6	-75.2	166.6	0	0	0	112.7	E588 A589 R590 Q595 L596 N637 R640 L641 L644	E588-L592 HydrophobicContact CG-CD1 4.12Å; E588-L592 PolarHBondContact O-N 2.99Å; A589-L592 PolarHBondContact O-N 2.98Å; R590-L592 PolarHBondContact O-N 3.26Å; L592-Q595 PolarHBondContact O-N 3Å; L592-L596 WeakPolarHBondContact O-CB 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.2Å; L592-L596 PolarHBondContact O-N 3.37Å; L592-N637 HydrophobicContact CD2-CB 4.25Å; L592-R640 HydrophobicContact CD1-CB 4.21Å; L592-R640 HydrophobicContact CD1-CG 3.52Å; L592-L641 HydrophobicContact CB-CD1 4.39Å; L592-L644 HydrophobicContact CD1-CD1 3.49Å; L592-L644 VanDerWaalsContact CD1-CD1 3.49Å
593	G	73.1	Confident	75.4	Confident	15 Å²	15	72.2 Å²	72.2	16%	0.155	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-42	171.8	0	0	0	0	0	112.8	A589 R590 L596 K597	A589-G593 PolarHBondContact O-N 3.21Å; R590-G593 PolarHBondContact O-N 2.99Å; G593-L596 PolarHBondContact O-N 3Å; G593-K597 WeakPolarHBondContact O-CB 3.09Å; G593-K597 PolarHBondContact O-N 3.31Å
594	E	79.8	Confident	75.2	Confident	124 Å²	124	69.4 Å²	69.4	58%	0.579	33%	0.326	S	S	*	.	H	α-helix	trans	-64.1	-44.1	173	-70.9	172.5	172.4	0	0	112.1	R590 R591 L596 K597 G598	R590-E594 WeakPolarHBondContact O-CG 3.48Å; R590-E594 PolarHBondContact O-N 3.42Å; R591-E594 PolarHBondContact O-N 3.1Å; E594-L596 PolarHBondContact O-N 3.14Å; E594-K597 WeakPolarHBondContact O-CB 3.3Å; E594-K597 PolarHBondContact O-N 3.32Å; E594-G598 PolarHBondContact O-N 2.97Å
595	Q	74.9	Confident	74.8	Confident	104 Å²	104	68 Å²	68	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-40.9	174.8	-72.4	177.6	20.8	0	0	112.4	R591 L592 G598 A599 N637	R591-Q595 WeakPolarHBondContact O-CG 3.41Å; R591-Q595 PolarHBondContact O-N 2.89Å; L592-Q595 PolarHBondContact O-N 3Å; Q595-G598 PolarHBondContact O-N 3.28Å; Q595-A599 WeakPolarHBondContact O-CB 3.38Å; Q595-A599 PolarHBondContact O-N 3.13Å; Q595-N637 PolarHBondContact OE1-ND2 3.06Å
596	L	77.2	Confident	74.3	Confident	14 Å²	14	65.9 Å²	65.9	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-41	174.7	-80.9	161.7	0	0	0	112.1	L592 G593 E594 R600 Y634 N637 L638 L641	L592-L596 WeakPolarHBondContact O-CB 3.28Å; L592-L596 WeakPolarHBondContact O-CG 3.2Å; L592-L596 PolarHBondContact O-N 3.37Å; G593-L596 PolarHBondContact O-N 3Å; E594-L596 PolarHBondContact O-N 3.14Å; L596-R600 VanDerWaalsContact O-CB 3.25Å; L596-R600 WeakPolarHBondContact O-CB 3.35Å; L596-R600 PolarHBondContact O-N 3.25Å; L596-Y634 HydrophobicContact CD2-CD1 4.41Å; L596-Y634 HydrophobicContact CD2-CD2 3.52Å; L596-Y634 HydrophobicContact CD2-CE1 4.48Å; L596-Y634 HydrophobicContact CD2-CE2 3.61Å; L596-Y634 HydrophobicContact CD2-CG 3.93Å; L596-Y634 WeakPolarHBondContact CD2-O 3.5Å; L596-N637 HydrophobicContact CD1-CB 4.32Å; L596-N637 HydrophobicContact CD2-CB 3.92Å; L596-N637 HydrophobicContact CG-CB 3.91Å; L596-L638 HydrophobicContact CD2-CB 4.17Å; L596-L641 HydrophobicContact CD1-CB 4.22Å; L596-L641 HydrophobicContact CD1-CD2 3.64Å
597	K	77.3	Confident	73.7	Confident	140 Å²	140	65.8 Å²	65.8	61%	0.609	32%	0.321	S	S	*	.	H	α-helix	trans	-62.7	-43.2	173.8	-168.6	177.5	-177.6	179.5	0	111	G593 E594 N601	G593-K597 WeakPolarHBondContact O-CB 3.09Å; G593-K597 PolarHBondContact O-N 3.31Å; E594-K597 WeakPolarHBondContact O-CB 3.3Å; E594-K597 PolarHBondContact O-N 3.32Å; K597-N601 PolarHBondContact O-N 3.11Å; K597-N601 PolarHBondContact O-OD1 2.9Å
598	G	73.8	Confident	72.9	Confident	22 Å²	22	67.6 Å²	67.6	23%	0.227	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-48.6	174.9	0	0	0	0	0	113.7	E594 Q595 N601 R602	E594-G598 PolarHBondContact O-N 2.97Å; Q595-G598 PolarHBondContact O-N 3.28Å; G598-N601 PolarHBondContact O-N 2.86Å; G598-R602 PolarHBondContact O-N 3.45Å
599	A	71	Confident	71.9	Confident	5 Å²	5	69.9 Å²	69.9	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-42.3	177.3	0	0	0	0	0	111.9	Q595 N601 R602 I603 Y634	Q595-A599 WeakPolarHBondContact O-CB 3.38Å; Q595-A599 PolarHBondContact O-N 3.13Å; A599-N601 VanDerWaalsContact C-N 3.3Å; A599-N601 PolarHBondContact O-N 2.91Å; A599-R602 PolarHBondContact O-N 3.37Å; A599-I603 WeakPolarHBondContact O-CB 3.38Å; A599-I603 VanDerWaalsContact O-CG1 3.28Å; A599-I603 WeakPolarHBondContact O-CG1 3.42Å; A599-I603 PolarHBondContact O-N 3.47Å; A599-Y634 HydrophobicContact CB-CD2 4.36Å
600	R	73.7	Confident	71	Confident	147 Å²	147	71.6 Å²	71.6	56%	0.555	35%	0.35	S	S	*	.	H	α-helix	trans	-58.2	-42.6	172.8	176.7	177.1	169.4	-179.3	-4	111.8	L596 T604 Y634	L596-R600 VanDerWaalsContact O-CB 3.25Å; L596-R600 WeakPolarHBondContact O-CB 3.35Å; L596-R600 PolarHBondContact O-N 3.25Å; R600-T604 WeakPolarHBondContact O-CB 3.35Å; R600-T604 PolarHBondContact O-N 2.79Å; R600-T604 PolarHBondContact O-OG1 3.24Å; R600-Y634 HydrophobicContact CB-CE2 4.19Å
601	N	74.4	Confident	69.8	Low	93 Å²	93	72 Å²	72	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-45.5	178.3	-73.7	-2	0	0	0	111.4	K597 G598 A599 T604 V605	K597-N601 PolarHBondContact O-N 3.11Å; K597-N601 PolarHBondContact O-OD1 2.9Å; G598-N601 PolarHBondContact O-N 2.86Å; A599-N601 VanDerWaalsContact C-N 3.3Å; A599-N601 PolarHBondContact O-N 2.91Å; N601-T604 CarbonylContact O-C 3.59Å; N601-T604 WeakPolarHBondContact O-CA 3.43Å; N601-T604 WeakPolarHBondContact O-CB 3.36Å; N601-T604 PolarHBondContact O-N 3.19Å; N601-T604 VanDerWaalsContact O-N 3.09Å; N601-V605 WeakPolarHBondContact O-CG2 3.45Å; N601-V605 PolarHBondContact O-N 3.41Å
602	R	71.6	Confident	68.2	Low	126 Å²	126	73.2 Å²	73.2	48%	0.475	37%	0.373	S	S	.	.	H	α-helix	trans	-64.2	-47.4	178.4	-68.5	-174.1	-54.2	-98.9	1.6	112.5	G598 A599 T604 V605 T606 E630	G598-R602 PolarHBondContact O-N 3.45Å; A599-R602 PolarHBondContact O-N 3.37Å; R602-T604 PolarHBondContact O-N 2.78Å; R602-T604 VanDerWaalsContact O-N 3.14Å; R602-V605 PolarHBondContact O-N 2.99Å; R602-V605 VanDerWaalsContact O-N 3.09Å; R602-T606 PolarHBondContact O-N 3.19Å; R602-T606 PolarHBondContact O-OG1 2.91Å; R602-E630 WeakPolarHBondContact CB-OE2 3.4Å; R602-E630 IonicContact CZ-OE1 3.43Å; R602-E630 IonicContact NE-OE1 2.77Å; R602-E630 PolarHBondContact NE-OE1 3.37Å; R602-E630 IonicContact NE-OE2 2.67Å; R602-E630 IonicContact NH2-OE1 3.65Å; R602-E630 PolarHBondContact NH2-OE1 2.98Å
603	I	70.5	Confident	66.8	Low	31 Å²	31	75.2 Å²	75.2	16%	0.159	40%	0.399	C	S	.	.	H	α-helix	trans	-54.8	-32.7	170.8	-66.9	167	0	0	0	111.9	A599 G607 E630	A599-I603 WeakPolarHBondContact O-CB 3.38Å; A599-I603 VanDerWaalsContact O-CG1 3.28Å; A599-I603 WeakPolarHBondContact O-CG1 3.42Å; A599-I603 PolarHBondContact O-N 3.47Å; I603-G607 PolarHBondContact O-N 3.37Å; I603-G607 VanDerWaalsContact O-N 3.09Å; I603-E630 HydrophobicContact CD1-CB 3.95Å; I603-E630 HydrophobicContact CG1-CB 3.79Å
604	T	70.1	Confident	65.5	Low	73 Å²	73	83.7 Å²	83.7	45%	0.448	43%	0.434	S	S	.	.	H	α-helix	trans	-77.2	-38.9	177.8	-56	0	0	0	0	112.6	R600 N601 R602 N608	R600-T604 WeakPolarHBondContact O-CB 3.35Å; R600-T604 PolarHBondContact O-N 2.79Å; R600-T604 PolarHBondContact O-OG1 3.24Å; N601-T604 CarbonylContact O-C 3.59Å; N601-T604 WeakPolarHBondContact O-CA 3.43Å; N601-T604 WeakPolarHBondContact O-CB 3.36Å; N601-T604 PolarHBondContact O-N 3.19Å; N601-T604 VanDerWaalsContact O-N 3.09Å; R602-T604 PolarHBondContact O-N 2.78Å; R602-T604 VanDerWaalsContact O-N 3.14Å; T604-N608 VanDerWaalsContact O-CG 3.29Å; T604-N608 PolarHBondContact O-N 3.37Å; T604-N608 PolarHBondContact O-ND2 2.96Å
605	V	70.6	Confident	64	Low	82 Å²	82	86.7 Å²	86.7	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-67.3	-56.8	175.8	172.1	0	0	0	0	109.9	N601 R602 G607 N608 D609	N601-V605 WeakPolarHBondContact O-CG2 3.45Å; N601-V605 PolarHBondContact O-N 3.41Å; R602-V605 PolarHBondContact O-N 2.99Å; R602-V605 VanDerWaalsContact O-N 3.09Å; V605-G607 PolarHBondContact O-N 3.47Å; V605-G607 VanDerWaalsContact O-N 3.14Å; V605-N608 WeakPolarHBondContact O-CA 3.46Å; V605-N608 WeakPolarHBondContact O-CB 3Å; V605-N608 PolarHBondContact O-N 3.36Å; V605-D609 VanDerWaalsContact O-CG 3.27Å; V605-D609 PolarHBondContact O-N 2.93Å
606	T	63.8	Low	63	Low	16 Å²	16	89 Å²	89	10%	0.098	46%	0.464	C	S	.	.	H	α-helix	trans	-63	-25.8	179.5	-45	0	0	0	0	112.7	R602 D609 M610 L623 I627	R602-T606 PolarHBondContact O-N 3.19Å; R602-T606 PolarHBondContact O-OG1 2.91Å; T606-D609 WeakPolarHBondContact CA-OD2 3.26Å; T606-M610 WeakPolarHBondContact O-CG 3.27Å; T606-M610 PolarHBondContact O-N 3.39Å; T606-L623 HydrophobicContact CG2-CB 4.13Å; T606-L623 HydrophobicContact CG2-CD2 3.87Å; T606-L623 HydrophobicContact CG2-CG 4.47Å; T606-I627 HydrophobicContact CG2-CD1 3.86Å; T606-I627 HydrophobicContact CG2-CG1 3.95Å
607	G	60.7	Low	62	Low	24 Å²	24	92.7 Å²	92.7	25%	0.247	48%	0.484	C	S	.	.	H	α-helix	trans	-77.8	-14.4	171.3	0	0	0	0	0	115.2	I603 V605 Q611	I603-G607 PolarHBondContact O-N 3.37Å; I603-G607 VanDerWaalsContact O-N 3.09Å; V605-G607 PolarHBondContact O-N 3.47Å; V605-G607 VanDerWaalsContact O-N 3.14Å; G607-Q611 PolarHBondContact O-NE2 3.49Å
608	N	59.6	Low	61.2	Low	87 Å²	87	91 Å²	91	47%	0.465	49%	0.487	S	S	.	.	H	α-helix	trans	-89.4	-40.4	167.4	-70	-21.8	0	0	0	110.9	T604 V605 M610 Q611	T604-N608 VanDerWaalsContact O-CG 3.29Å; T604-N608 PolarHBondContact O-N 3.37Å; T604-N608 PolarHBondContact O-ND2 2.96Å; V605-N608 WeakPolarHBondContact O-CA 3.46Å; V605-N608 WeakPolarHBondContact O-CB 3Å; V605-N608 PolarHBondContact O-N 3.36Å; N608-M610 PolarHBondContact O-N 3.45Å; N608-M610 VanDerWaalsContact O-N 3.12Å; N608-Q611 WeakPolarHBondContact O-CB 3.11Å; N608-Q611 PolarHBondContact O-N 2.94Å
609	D	57.4	Low	60.5	Low	93 Å²	93	94.9 Å²	94.9	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-56.4	-31.4	177.4	-53.7	-31.6	0	0	0	111.8	V605 T606 Q611	V605-D609 VanDerWaalsContact O-CG 3.27Å; V605-D609 PolarHBondContact O-N 2.93Å; T606-D609 WeakPolarHBondContact CA-OD2 3.26Å; D609-Q611 PolarHBondContact O-N 2.97Å
610	M	55.6	Low	60	Low	53 Å²	53	99.1 Å²	99.1	26%	0.261	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	4.3	171.6	-72.6	-178	176.1	0	0	115.9	T606 N608 L623 C624 I627	T606-M610 WeakPolarHBondContact O-CG 3.27Å; T606-M610 PolarHBondContact O-N 3.39Å; N608-M610 PolarHBondContact O-N 3.45Å; N608-M610 VanDerWaalsContact O-N 3.12Å; M610-L623 HydrophobicContact CE-CB 3.65Å; M610-C624 HydrophobicContact CE-CB 4.29Å; M610-I627 HydrophobicContact CE-CD1 3.73Å; M610-I627 HydrophobicContact SD-CD1 3.88Å
611	Q	53.5	Low	59.5	Low	112 Å²	112	97.6 Å²	97.6	52%	0.523	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-16.4	177.5	-77.8	166.8	87.1	0	0	114	V519 G607 N608 D609	V519-Q611 HydrophobicContact CG1-CG 4.08Å; G607-Q611 PolarHBondContact O-NE2 3.49Å; N608-Q611 WeakPolarHBondContact O-CB 3.11Å; N608-Q611 PolarHBondContact O-N 2.94Å; D609-Q611 PolarHBondContact O-N 2.97Å
612	D	47.1	Very low	59.2	Low	157 Å²	157	96.3 Å²	96.3	84%	0.84	52%	0.519	S	S	*	.	S	Bend	trans	-111.4	9.6	-175.5	-65.7	-36.3	0	0	0	113.7
613	G	46.4	Very low	58.9	Low	62 Å²	62	92.3 Å²	92.3	64%	0.639	51%	0.506	S	S	*	.			trans	-103.2	129.3	175	0	0	0	0	0	113.3
614	E	45.8	Very low	58.7	Low	192 Å²	192	93 Å²	93	90%	0.897	51%	0.514	S	S	*	.			trans	-103.2	154.1	164.4	-68.5	-163.1	130.6	0	0	111.2
615	E	48.7	Very low	58.9	Low	187 Å²	187	94.8 Å²	94.8	87%	0.874	52%	0.515	S	S	*	.	S	Bend	trans	71.3	152.5	-176.7	-53.9	-150.1	112.4	0	0	117.9	D617	E615-D617 PolarHBondContact O-N 3.08Å
616	N	53.9	Low	59	Low	152 Å²	152	95.7 Å²	95.7	81%	0.813	51%	0.514	S	S	*	.			trans	-82.8	114.6	-176.1	-66.3	-95.7	0	0	0	110.2
617	D	57.2	Low	59.3	Low	93 Å²	93	96.5 Å²	96.5	50%	0.497	52%	0.517	S	S	.	.			trans	-124.7	140.3	173.6	-177.1	36.6	0	0	0	110	E615 L619 E620	E615-D617 PolarHBondContact O-N 3.08Å; D617-L619 HydrophobicContact CB-CB 4.44Å; D617-L619 PolarHBondContact O-N 2.71Å; D617-L619 WeakPolarHBondContact OD2-CB 3.34Å; D617-E620 PolarHBondContact O-N 2.99Å
618	P	60.3	Low	59.9	Low	103 Å²	103	101.6 Å²	101.6	67%	0.669	53%	0.532	S	S	*	.	H	α-helix	trans	-46.2	-21.1	169.8	11.2	-30.5	0	0	0	116	E621 S622	P618-E621 PolarHBondContact O-N 3.23Å; P618-S622 PolarHBondContact O-N 3.39Å; P618-S622 VanDerWaalsContact O-N 3.13Å
619	L	58.1	Low	60.5	Low	105 Å²	105	103.3 Å²	103.3	55%	0.55	54%	0.538	S	S	.	.	H	α-helix	trans	-58.2	-41	169.4	-169.9	65.4	0	0	0	112.7	D617 E621 S622 L623	D617-L619 HydrophobicContact CB-CB 4.44Å; D617-L619 PolarHBondContact O-N 2.71Å; D617-L619 WeakPolarHBondContact OD2-CB 3.34Å; L619-E621 VanDerWaalsContact C-N 3.34Å; L619-E621 PolarHBondContact O-N 3.38Å; L619-S622 WeakPolarHBondContact O-CB 3.46Å; L619-S622 PolarHBondContact O-N 2.95Å; L619-L623 HydrophobicContact CG-CD1 4.19Å; L619-L623 VanDerWaalsContact O-CG 3.29Å; L619-L623 WeakPolarHBondContact O-CG 3.38Å; L619-L623 PolarHBondContact O-N 3.18Å
620	E	60.5	Low	61.2	Low	93 Å²	93	100.1 Å²	100.1	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-39.7	178.3	-161.9	-157.6	160.2	0	0	111.2	D617 S622 L623 C624	D617-E620 PolarHBondContact O-N 2.99Å; E620-S622 VanDerWaalsContact C-N 3.33Å; E620-S622 PolarHBondContact O-N 3.34Å; E620-L623 PolarHBondContact O-N 3.19Å; E620-C624 VanDerWaalsContact O-CB 3.25Å; E620-C624 WeakPolarHBondContact O-CB 3.33Å; E620-C624 PolarHBondContact O-N 3.01Å
621	E	63.8	Low	62.1	Low	116 Å²	116	103.7 Å²	103.7	54%	0.542	53%	0.534	S	S	.	.	H	α-helix	trans	-67.5	-36.1	177.5	-150.4	-149.2	153.9	0	0	111.6	P618 L619 C624 K625	P618-E621 PolarHBondContact O-N 3.23Å; L619-E621 VanDerWaalsContact C-N 3.34Å; L619-E621 PolarHBondContact O-N 3.38Å; E621-C624 PolarHBondContact O-N 3.29Å; E621-K625 VanDerWaalsContact O-CG 3.3Å; E621-K625 WeakPolarHBondContact O-CG 3.22Å; E621-K625 PolarHBondContact O-N 3.08Å; E621-K625 WeakPolarHBondContact OE1-CE 3.34Å; E621-K625 IonicContact OE1-NZ 2.72Å; E621-K625 PolarHBondContact OE1-NZ 2.96Å; E621-K625 IonicContact OE2-NZ 3.01Å; E621-K625 PolarHBondContact OE2-NZ 3.14Å
622	S	67.5	Low	63.1	Low	66 Å²	66	102.7 Å²	102.7	46%	0.462	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-50	173.8	-166.2	0	0	0	0	111.6	P618 L619 E620 C624 K625 Q626	P618-S622 PolarHBondContact O-N 3.39Å; P618-S622 VanDerWaalsContact O-N 3.13Å; L619-S622 WeakPolarHBondContact O-CB 3.46Å; L619-S622 PolarHBondContact O-N 2.95Å; E620-S622 VanDerWaalsContact C-N 3.33Å; E620-S622 PolarHBondContact O-N 3.34Å; S622-C624 VanDerWaalsContact C-N 3.29Å; S622-C624 PolarHBondContact O-N 3.36Å; S622-K625 WeakPolarHBondContact O-CB 3.47Å; S622-K625 PolarHBondContact O-N 2.65Å; S622-K625 VanDerWaalsContact O-N 3.12Å; S622-Q626 PolarHBondContact O-N 3.19Å
623	L	65.3	Low	64.2	Low	42 Å²	42	98.1 Å²	98.1	22%	0.22	51%	0.513	C	S	.	.	H	α-helix	trans	-62.3	-36.2	176.2	-63.1	169.4	0	0	0	111.5	T606 M610 L619 E620 Q626 I627	T606-L623 HydrophobicContact CG2-CB 4.13Å; T606-L623 HydrophobicContact CG2-CD2 3.87Å; T606-L623 HydrophobicContact CG2-CG 4.47Å; M610-L623 HydrophobicContact CE-CB 3.65Å; L619-L623 HydrophobicContact CG-CD1 4.19Å; L619-L623 VanDerWaalsContact O-CG 3.29Å; L619-L623 WeakPolarHBondContact O-CG 3.38Å; L619-L623 PolarHBondContact O-N 3.18Å; E620-L623 PolarHBondContact O-N 3.19Å; L623-Q626 PolarHBondContact O-N 3.31Å; L623-I627 WeakPolarHBondContact O-CG1 3.46Å; L623-I627 PolarHBondContact O-N 3.28Å
624	C	67.4	Low	65.5	Low	46 Å²	46	98 Å²	98	31%	0.311	49%	0.494	S	S	.	.	H	α-helix	trans	-66.6	-37.9	174.3	-166.8	0	0	0	0	112.6	M610 E620 E621 S622 K628	M610-C624 HydrophobicContact CE-CB 4.29Å; E620-C624 VanDerWaalsContact O-CB 3.25Å; E620-C624 WeakPolarHBondContact O-CB 3.33Å; E620-C624 PolarHBondContact O-N 3.01Å; E621-C624 PolarHBondContact O-N 3.29Å; S622-C624 VanDerWaalsContact C-N 3.29Å; S622-C624 PolarHBondContact O-N 3.36Å; C624-K628 WeakPolarHBondContact O-CD 3.39Å; C624-K628 VanDerWaalsContact O-CG 3.25Å; C624-K628 WeakPolarHBondContact O-CG 3.46Å; C624-K628 PolarHBondContact O-N 2.99Å; C624-K628 VanDerWaalsContact O-N 3.14Å
625	K	74	Confident	66.7	Low	110 Å²	110	93.3 Å²	93.3	48%	0.478	48%	0.475	S	S	.	.	H	α-helix	trans	-64.9	-42.6	171.3	-73.2	161.2	-176.3	159.6	0	110.8	E621 S622 K628 Q629	E621-K625 VanDerWaalsContact O-CG 3.3Å; E621-K625 WeakPolarHBondContact O-CG 3.22Å; E621-K625 PolarHBondContact O-N 3.08Å; E621-K625 WeakPolarHBondContact OE1-CE 3.34Å; E621-K625 IonicContact OE1-NZ 2.72Å; E621-K625 PolarHBondContact OE1-NZ 2.96Å; E621-K625 IonicContact OE2-NZ 3.01Å; E621-K625 PolarHBondContact OE2-NZ 3.14Å; S622-K625 WeakPolarHBondContact O-CB 3.47Å; S622-K625 PolarHBondContact O-N 2.65Å; S622-K625 VanDerWaalsContact O-N 3.12Å; K625-K628 PolarHBondContact O-N 3.15Å; K625-Q629 PolarHBondContact O-N 2.89Å
626	Q	71.7	Confident	68	Low	100 Å²	100	88.2 Å²	88.2	47%	0.467	46%	0.46	S	S	.	.	H	α-helix	trans	-62.1	-48.8	177.8	-168.6	172.9	3	0	0	112.3	S622 L623 K628 Q629 E630	S622-Q626 PolarHBondContact O-N 3.19Å; L623-Q626 PolarHBondContact O-N 3.31Å; Q626-K628 VanDerWaalsContact C-N 3.31Å; Q626-K628 PolarHBondContact O-N 2.71Å; Q626-Q629 PolarHBondContact O-N 3.08Å; Q626-E630 WeakPolarHBondContact O-CG 3.38Å; Q626-E630 PolarHBondContact O-N 3.45Å
627	I	70.5	Confident	69	Low	34 Å²	34	82.1 Å²	82.1	17%	0.174	43%	0.427	C	S	.	.	H	α-helix	trans	-61	-38.5	175.5	-70	179.9	0	0	0	111.7	T606 M610 L623 K631	T606-I627 HydrophobicContact CG2-CD1 3.86Å; T606-I627 HydrophobicContact CG2-CG1 3.95Å; M610-I627 HydrophobicContact CE-CD1 3.73Å; M610-I627 HydrophobicContact SD-CD1 3.88Å; L623-I627 WeakPolarHBondContact O-CG1 3.46Å; L623-I627 PolarHBondContact O-N 3.28Å; I627-K631 VanDerWaalsContact O-CB 3.26Å; I627-K631 WeakPolarHBondContact O-CB 3.41Å; I627-K631 PolarHBondContact O-N 3.33Å
628	K	73.1	Confident	69.8	Low	130 Å²	130	80 Å²	80	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-61.9	-45.8	174.8	-74.9	165.2	-174.3	164.5	0	111.3	C624 K625 Q626 K631 V632	C624-K628 WeakPolarHBondContact O-CD 3.39Å; C624-K628 VanDerWaalsContact O-CG 3.25Å; C624-K628 WeakPolarHBondContact O-CG 3.46Å; C624-K628 PolarHBondContact O-N 2.99Å; C624-K628 VanDerWaalsContact O-N 3.14Å; K625-K628 PolarHBondContact O-N 3.15Å; Q626-K628 VanDerWaalsContact C-N 3.31Å; Q626-K628 PolarHBondContact O-N 2.71Å; K628-K631 PolarHBondContact O-N 2.94Å; K628-V632 WeakPolarHBondContact O-CG2 3.27Å; K628-V632 PolarHBondContact O-N 2.77Å; K628-V632 VanDerWaalsContact O-N 3.1Å
629	Q	73.7	Confident	70.1	Confident	123 Å²	123	77 Å²	77	58%	0.575	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-47.2	178.5	-171.2	63.3	16.2	0	0	111.7	K625 Q626 K631 V632 T633	K625-Q629 PolarHBondContact O-N 2.89Å; Q626-Q629 PolarHBondContact O-N 3.08Å; Q629-K631 PolarHBondContact O-N 3.35Å; Q629-V632 PolarHBondContact O-N 2.69Å; Q629-V632 VanDerWaalsContact O-N 3.09Å; Q629-T633 PolarHBondContact O-N 2.9Å; Q629-T633 PolarHBondContact O-OG1 2.78Å
630	E	72.3	Confident	71.2	Confident	26 Å²	26	75 Å²	75	12%	0.121	39%	0.389	C	S	.	.	H	α-helix	trans	-60.2	-35	176.4	-69.8	-132.6	109.5	0	0	112.5	R602 I603 Q626 T633 Y634	R602-E630 WeakPolarHBondContact CB-OE2 3.4Å; R602-E630 IonicContact CZ-OE1 3.43Å; R602-E630 IonicContact NE-OE1 2.77Å; R602-E630 PolarHBondContact NE-OE1 3.37Å; R602-E630 IonicContact NE-OE2 2.67Å; R602-E630 IonicContact NH2-OE1 3.65Å; R602-E630 PolarHBondContact NH2-OE1 2.98Å; I603-E630 HydrophobicContact CD1-CB 3.95Å; I603-E630 HydrophobicContact CG1-CB 3.79Å; Q626-E630 WeakPolarHBondContact O-CG 3.38Å; Q626-E630 PolarHBondContact O-N 3.45Å; E630-T633 PolarHBondContact O-N 2.84Å; E630-Y634 VanDerWaalsContact O-CB 3.24Å; E630-Y634 WeakPolarHBondContact O-CB 3.46Å; E630-Y634 PolarHBondContact O-N 2.78Å
631	K	73.2	Confident	71.7	Confident	128 Å²	128	71.9 Å²	71.9	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-69.2	-33.5	175.7	-173.5	174.9	-179.9	178.9	0	112.9	I627 K628 Q629 N635	I627-K631 VanDerWaalsContact O-CB 3.26Å; I627-K631 WeakPolarHBondContact O-CB 3.41Å; I627-K631 PolarHBondContact O-N 3.33Å; K628-K631 PolarHBondContact O-N 2.94Å; Q629-K631 PolarHBondContact O-N 3.35Å; K631-N635 WeakPolarHBondContact O-CB 2.92Å; K631-N635 VanDerWaalsContact O-CG 3.27Å; K631-N635 PolarHBondContact O-N 3.16Å; K631-N635 PolarHBondContact O-ND2 3.17Å
632	V	73.9	Confident	72	Confident	91 Å²	91	72 Å²	72	55%	0.552	37%	0.374	S	S	*	.	H	α-helix	trans	-66.3	-49.2	171.7	172.2	0	0	0	0	110	K628 Q629 Y634 N635 S636	K628-V632 WeakPolarHBondContact O-CG2 3.27Å; K628-V632 PolarHBondContact O-N 2.77Å; K628-V632 VanDerWaalsContact O-N 3.1Å; Q629-V632 PolarHBondContact O-N 2.69Å; Q629-V632 VanDerWaalsContact O-N 3.09Å; V632-Y634 VanDerWaalsContact C-N 3.35Å; V632-Y634 PolarHBondContact O-N 3.42Å; V632-N635 PolarHBondContact O-N 2.94Å; V632-S636 PolarHBondContact O-N 3.09Å
633	T	71.7	Confident	72	Confident	62 Å²	62	69.9 Å²	69.9	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-59.4	-43.4	176	-52.4	0	0	0	0	112	Q629 E630 N635 S636 N637	Q629-T633 PolarHBondContact O-N 2.9Å; Q629-T633 PolarHBondContact O-OG1 2.78Å; E630-T633 PolarHBondContact O-N 2.84Å; T633-N635 PolarHBondContact O-N 2.86Å; T633-S636 PolarHBondContact O-N 3.23Å; T633-N637 WeakPolarHBondContact O-CB 3.45Å; T633-N637 PolarHBondContact O-N 2.85Å; T633-N637 PolarHBondContact O-OD1 3.14Å
634	Y	73.9	Confident	72.3	Confident	60 Å²	60	67.9 Å²	67.9	24%	0.235	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-46.2	176	-179.4	-84.3	0	0	0	111.9	L596 A599 R600 E630 V632 L638	L596-Y634 HydrophobicContact CD2-CD1 4.41Å; L596-Y634 HydrophobicContact CD2-CD2 3.52Å; L596-Y634 HydrophobicContact CD2-CE1 4.48Å; L596-Y634 HydrophobicContact CD2-CE2 3.61Å; L596-Y634 HydrophobicContact CD2-CG 3.93Å; L596-Y634 WeakPolarHBondContact CD2-O 3.5Å; A599-Y634 HydrophobicContact CB-CD2 4.36Å; R600-Y634 HydrophobicContact CB-CE2 4.19Å; E630-Y634 VanDerWaalsContact O-CB 3.24Å; E630-Y634 WeakPolarHBondContact O-CB 3.46Å; E630-Y634 PolarHBondContact O-N 2.78Å; V632-Y634 VanDerWaalsContact C-N 3.35Å; V632-Y634 PolarHBondContact O-N 3.42Å; Y634-L638 HydrophobicContact CE1-CD2 4.09Å; Y634-L638 VanDerWaalsContact O-CB 3.22Å; Y634-L638 WeakPolarHBondContact O-CB 3.3Å; Y634-L638 PolarHBondContact O-N 3.48Å
635	N	70.5	Confident	72.5	Confident	93 Å²	93	70.5 Å²	70.5	50%	0.497	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-39.5	178.1	-74.4	-15.2	0	0	0	112.2	K631 V632 T633 L638 G639	K631-N635 WeakPolarHBondContact O-CB 2.92Å; K631-N635 VanDerWaalsContact O-CG 3.27Å; K631-N635 PolarHBondContact O-N 3.16Å; K631-N635 PolarHBondContact O-ND2 3.17Å; V632-N635 PolarHBondContact O-N 2.94Å; T633-N635 PolarHBondContact O-N 2.86Å; N635-L638 PolarHBondContact O-N 3.13Å; N635-G639 PolarHBondContact O-N 3.32Å
636	S	75.4	Confident	72	Confident	79 Å²	79	67.6 Å²	67.6	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-62.7	-52.5	176.3	-171.2	0	0	0	0	111.6	V632 T633 L638 G639 R640	V632-S636 PolarHBondContact O-N 3.09Å; T633-S636 PolarHBondContact O-N 3.23Å; S636-L638 VanDerWaalsContact C-N 3.27Å; S636-L638 PolarHBondContact O-N 3.39Å; S636-G639 WeakPolarHBondContact O-CA 3.31Å; S636-G639 PolarHBondContact O-N 3.2Å; S636-R640 PolarHBondContact O-N 2.83Å
637	N	74.6	Confident	72	Confident	24 Å²	24	65.2 Å²	65.2	13%	0.128	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-34.4	178	-72.6	25.3	0	0	0	112.1	L592 Q595 L596 T633 G639 R640 L641	L592-N637 HydrophobicContact CD2-CB 4.25Å; Q595-N637 PolarHBondContact OE1-ND2 3.06Å; L596-N637 HydrophobicContact CD1-CB 4.32Å; L596-N637 HydrophobicContact CD2-CB 3.92Å; L596-N637 HydrophobicContact CG-CB 3.91Å; T633-N637 WeakPolarHBondContact O-CB 3.45Å; T633-N637 PolarHBondContact O-N 2.85Å; T633-N637 PolarHBondContact O-OD1 3.14Å; N637-G639 VanDerWaalsContact C-N 3.35Å; N637-R640 PolarHBondContact O-N 3.11Å; N637-L641 VanDerWaalsContact O-CB 3.3Å; N637-L641 WeakPolarHBondContact O-CB 3.03Å; N637-L641 PolarHBondContact O-N 2.91Å
638	L	74.6	Confident	72.1	Confident	49 Å²	49	64.4 Å²	64.4	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-68.7	-32.3	174.4	-177.3	63.2	0	0	0	112.4	L596 Y634 N635 S636 K642	L596-L638 HydrophobicContact CD2-CB 4.17Å; Y634-L638 HydrophobicContact CE1-CD2 4.09Å; Y634-L638 VanDerWaalsContact O-CB 3.22Å; Y634-L638 WeakPolarHBondContact O-CB 3.3Å; Y634-L638 PolarHBondContact O-N 3.48Å; N635-L638 PolarHBondContact O-N 3.13Å; S636-L638 VanDerWaalsContact C-N 3.27Å; S636-L638 PolarHBondContact O-N 3.39Å; L638-K642 WeakPolarHBondContact O-CG 3.18Å; L638-K642 PolarHBondContact O-N 3.01Å
639	G	67.2	Low	71.7	Confident	41 Å²	41	61 Å²	61	42%	0.423	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-54.1	170.2	0	0	0	0	0	111.5	N635 S636 N637 L641 K642 A643	N635-G639 PolarHBondContact O-N 3.32Å; S636-G639 WeakPolarHBondContact O-CA 3.31Å; S636-G639 PolarHBondContact O-N 3.2Å; N637-G639 VanDerWaalsContact C-N 3.35Å; G639-L641 VanDerWaalsContact C-N 3.33Å; G639-L641 PolarHBondContact O-N 3.49Å; G639-K642 WeakPolarHBondContact O-CB 3.42Å; G639-K642 PolarHBondContact O-N 2.99Å; G639-K642 VanDerWaalsContact O-N 3.08Å; G639-A643 PolarHBondContact O-N 3.28Å; G639-A643 VanDerWaalsContact O-N 3.14Å
640	R	80.3	Confident	71.6	Confident	61 Å²	61	56.5 Å²	56.5	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-41.1	178.2	-176.8	63	178.7	-175.1	2.9	112.5	E196 E588 L592 S636 N637 K642 A643 L644	E196-R640 IonicContact OE1-CZ 3.4Å; E196-R640 IonicContact OE1-NH1 3.85Å; E196-R640 PolarHBondContact OE1-NH1 2.91Å; E196-R640 IonicContact OE2-CZ 3.2Å; E196-R640 IonicContact OE2-NH1 2.77Å; E196-R640 PolarHBondContact OE2-NH1 2.78Å; E588-R640 IonicContact OE1-CZ 2.97Å; E588-R640 VanDerWaalsContact OE1-CZ 3.25Å; E588-R640 IonicContact OE1-NE 2.74Å; E588-R640 PolarHBondContact OE1-NE 3.36Å; E588-R640 IonicContact OE1-NH2 2.68Å; E588-R640 PolarHBondContact OE1-NH2 3.32Å; E588-R640 IonicContact OE2-NH2 3.19Å; E588-R640 PolarHBondContact OE2-NH2 2.78Å; E588-R640 VanDerWaalsContact OE2-NH2 3.15Å; L592-R640 HydrophobicContact CD1-CB 4.21Å; L592-R640 HydrophobicContact CD1-CG 3.52Å; S636-R640 PolarHBondContact O-N 2.83Å; N637-R640 PolarHBondContact O-N 3.11Å; R640-K642 VanDerWaalsContact C-N 3.28Å; R640-K642 PolarHBondContact O-N 3.28Å; R640-A643 PolarHBondContact O-N 2.97Å; R640-L644 HydrophobicContact CG-CD1 4.07Å; R640-L644 HydrophobicContact CG-CG 4.43Å; R640-L644 WeakPolarHBondContact O-CG 3.23Å; R640-L644 PolarHBondContact O-N 3.39Å
641	L	72.3	Confident	71.5	Confident	28 Å²	28	56 Å²	56	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-32.5	177.1	-172.2	68.4	0	0	0	112.8	A589 L592 L596 N637 G639 R645	A589-L641 HydrophobicContact CB-CD1 3.9Å; A589-L641 WeakPolarHBondContact O-CD1 3.39Å; L592-L641 HydrophobicContact CB-CD1 4.39Å; L596-L641 HydrophobicContact CD1-CB 4.22Å; L596-L641 HydrophobicContact CD1-CD2 3.64Å; N637-L641 VanDerWaalsContact O-CB 3.3Å; N637-L641 WeakPolarHBondContact O-CB 3.03Å; N637-L641 PolarHBondContact O-N 2.91Å; G639-L641 VanDerWaalsContact C-N 3.33Å; G639-L641 PolarHBondContact O-N 3.49Å; L641-R645 WeakPolarHBondContact O-CB 3.43Å; L641-R645 PolarHBondContact O-N 2.91Å; L641-R645 VanDerWaalsContact O-N 3.09Å
642	K	69.6	Low	71.2	Confident	120 Å²	120	52.8 Å²	52.8	52%	0.522	28%	0.279	S	S	.	.	H	α-helix	trans	-70.2	-45.2	173.4	-73.3	178.3	178	-168.9	0	112	L638 G639 R640 R645 T646	L638-K642 WeakPolarHBondContact O-CG 3.18Å; L638-K642 PolarHBondContact O-N 3.01Å; G639-K642 WeakPolarHBondContact O-CB 3.42Å; G639-K642 PolarHBondContact O-N 2.99Å; G639-K642 VanDerWaalsContact O-N 3.08Å; R640-K642 VanDerWaalsContact C-N 3.28Å; R640-K642 PolarHBondContact O-N 3.28Å; K642-R645 WeakPolarHBondContact O-CB 3.32Å; K642-R645 PolarHBondContact O-N 3.01Å; K642-T646 PolarHBondContact O-N 2.67Å; K642-T646 VanDerWaalsContact O-N 3.1Å; K642-T646 PolarHBondContact O-OG1 3.01Å
643	A	68.1	Low	70.9	Confident	20 Å²	20	51.9 Å²	51.9	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-50.4	176.5	0	0	0	0	0	111.4	G639 R640 R645 T646 E647	G639-A643 PolarHBondContact O-N 3.28Å; G639-A643 VanDerWaalsContact O-N 3.14Å; R640-A643 PolarHBondContact O-N 2.97Å; A643-R645 VanDerWaalsContact C-N 3.28Å; A643-R645 PolarHBondContact O-N 3.11Å; A643-T646 PolarHBondContact O-N 3.21Å; A643-T646 VanDerWaalsContact O-N 3.16Å; A643-E647 PolarHBondContact O-N 3.28Å
644	L	71.6	Confident	70.8	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-37.8	175.7	-70.7	169.4	0	0	0	112.5	R585 E588 A589 L592 R640 E647 I648	R585-L644 HydrophobicContact CB-CD2 4.23Å; R585-L644 HydrophobicContact CG-CD2 4.46Å; E588-L644 HydrophobicContact CB-CD1 4.14Å; E588-L644 HydrophobicContact CG-CD1 3.84Å; A589-L644 HydrophobicContact CB-CB 4.32Å; A589-L644 HydrophobicContact CB-CD1 4.26Å; L592-L644 HydrophobicContact CD1-CD1 3.49Å; L592-L644 VanDerWaalsContact CD1-CD1 3.49Å; R640-L644 HydrophobicContact CG-CD1 4.07Å; R640-L644 HydrophobicContact CG-CG 4.43Å; R640-L644 WeakPolarHBondContact O-CG 3.23Å; R640-L644 PolarHBondContact O-N 3.39Å; L644-E647 PolarHBondContact O-N 3.34Å; L644-I648 VanDerWaalsContact O-CB 3.31Å; L644-I648 WeakPolarHBondContact O-CB 3.11Å; L644-I648 WeakPolarHBondContact O-CD1 3.49Å; L644-I648 WeakPolarHBondContact O-CG1 3.33Å; L644-I648 PolarHBondContact O-N 2.82Å
645	R	71.6	Confident	70.4	Confident	101 Å²	101	48.2 Å²	48.2	38%	0.381	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-46.8	175.7	179	177.9	167.7	-135.6	-28.9	111.5	L641 K642 A643 E647 I648 E649	L641-R645 WeakPolarHBondContact O-CB 3.43Å; L641-R645 PolarHBondContact O-N 2.91Å; L641-R645 VanDerWaalsContact O-N 3.09Å; K642-R645 WeakPolarHBondContact O-CB 3.32Å; K642-R645 PolarHBondContact O-N 3.01Å; A643-R645 VanDerWaalsContact C-N 3.28Å; A643-R645 PolarHBondContact O-N 3.11Å; R645-E647 VanDerWaalsContact C-N 3.33Å; R645-E647 PolarHBondContact O-N 3.31Å; R645-I648 PolarHBondContact O-N 3.27Å; R645-E649 HydrophobicContact CG-CG 4.46Å; R645-E649 IonicContact CZ-OE1 3.73Å; R645-E649 IonicContact NE-OE1 2.7Å; R645-E649 PolarHBondContact NE-OE1 3.43Å; R645-E649 IonicContact NE-OE2 3.23Å; R645-E649 IonicContact NH2-OE1 2.7Å; R645-E649 PolarHBondContact NH2-OE1 2.72Å; R645-E649 IonicContact NH2-OE2 3.84Å; R645-E649 PolarHBondContact NH2-OE2 2.96Å; R645-E649 WeakPolarHBondContact O-CB 3.46Å; R645-E649 WeakPolarHBondContact O-CG 3.38Å; R645-E649 PolarHBondContact O-N 2.89Å
646	T	63.1	Low	70	Confident	48 Å²	48	47.8 Å²	47.8	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-63.7	-39.2	177.8	-57.1	0	0	0	0	111.6	K642 A643 E649 H650	K642-T646 PolarHBondContact O-N 2.67Å; K642-T646 VanDerWaalsContact O-N 3.1Å; K642-T646 PolarHBondContact O-OG1 3.01Å; A643-T646 PolarHBondContact O-N 3.21Å; A643-T646 VanDerWaalsContact O-N 3.16Å; T646-E649 PolarHBondContact O-N 3.11Å; T646-H650 WeakPolarHBondContact O-CB 3.49Å; T646-H650 PolarHBondContact O-N 3.06Å
647	E	71.2	Confident	69.4	Low	50 Å²	50	50 Å²	50	23%	0.234	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-43.8	176	-170.8	178.2	-137.7	0	0	112.4	R585 A643 L644 R645 H650 L651	R585-E647 WeakPolarHBondContact CD-OE2 3.44Å; R585-E647 IonicContact CZ-OE1 2.78Å; R585-E647 IonicContact CZ-OE2 3.74Å; R585-E647 IonicContact NE-OE2 2.74Å; R585-E647 IonicContact NH1-OE1 2.71Å; R585-E647 PolarHBondContact NH1-OE1 3.32Å; R585-E647 IonicContact NH1-OE2 2.67Å; R585-E647 PolarHBondContact NH1-OE2 3.03Å; A643-E647 PolarHBondContact O-N 3.28Å; L644-E647 PolarHBondContact O-N 3.34Å; R645-E647 VanDerWaalsContact C-N 3.33Å; R645-E647 PolarHBondContact O-N 3.31Å; E647-H650 PolarHBondContact O-N 2.76Å; E647-L651 HydrophobicContact CG-CD1 4.2Å; E647-L651 WeakPolarHBondContact O-CB 3.5Å; E647-L651 VanDerWaalsContact O-CG 3.32Å; E647-L651 WeakPolarHBondContact O-CG 3.33Å; E647-L651 PolarHBondContact O-N 2.72Å
648	I	72.3	Confident	68.8	Low	17 Å²	17	49.3 Å²	49.3	9%	0.087	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-44.6	174.1	-72.4	163.7	0	0	0	111	L582 R585 A589 L644 R645 H650 L651 Q652	L582-I648 HydrophobicContact CD1-CB 4.37Å; L582-I648 HydrophobicContact CD1-CG1 4.45Å; L582-I648 HydrophobicContact CD1-CG2 3.91Å; R585-I648 HydrophobicContact CB-CD1 4.45Å; R585-I648 HydrophobicContact CB-CG1 4.04Å; A589-I648 HydrophobicContact CB-CD1 3.91Å; L644-I648 VanDerWaalsContact O-CB 3.31Å; L644-I648 WeakPolarHBondContact O-CB 3.11Å; L644-I648 WeakPolarHBondContact O-CD1 3.49Å; L644-I648 WeakPolarHBondContact O-CG1 3.33Å; L644-I648 PolarHBondContact O-N 2.82Å; R645-I648 PolarHBondContact O-N 3.27Å; I648-H650 VanDerWaalsContact C-N 3.35Å; I648-L651 PolarHBondContact O-N 2.99Å; I648-Q652 WeakPolarHBondContact O-CB 3.34Å; I648-Q652 VanDerWaalsContact O-CG 3.24Å; I648-Q652 WeakPolarHBondContact O-CG 3.19Å; I648-Q652 PolarHBondContact O-N 3.4Å
649	E	65.9	Low	68.3	Low	60 Å²	60	51.8 Å²	51.8	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-38.3	177.3	-74.1	174.9	174.6	0	0	111.4	R645 T646 L653	R645-E649 HydrophobicContact CG-CG 4.46Å; R645-E649 IonicContact CZ-OE1 3.73Å; R645-E649 IonicContact NE-OE1 2.7Å; R645-E649 PolarHBondContact NE-OE1 3.43Å; R645-E649 IonicContact NE-OE2 3.23Å; R645-E649 IonicContact NH2-OE1 2.7Å; R645-E649 PolarHBondContact NH2-OE1 2.72Å; R645-E649 IonicContact NH2-OE2 3.84Å; R645-E649 PolarHBondContact NH2-OE2 2.96Å; R645-E649 WeakPolarHBondContact O-CB 3.46Å; R645-E649 WeakPolarHBondContact O-CG 3.38Å; R645-E649 PolarHBondContact O-N 2.89Å; T646-E649 PolarHBondContact O-N 3.11Å; E649-L653 WeakPolarHBondContact O-CG 3.24Å; E649-L653 PolarHBondContact O-N 3.24Å; E649-L653 VanDerWaalsContact O-N 3.12Å
650	H	70.6	Confident	68.2	Low	28 Å²	28	53.1 Å²	53.1	13%	0.13	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-47.2	173.7	-175.3	82.2	0	0	0	112.6	T207 T646 E647 I648 Q652 L653 L654	T207-H650 PolarHBondContact OG1-ND1 3.25Å; T646-H650 WeakPolarHBondContact O-CB 3.49Å; T646-H650 PolarHBondContact O-N 3.06Å; E647-H650 PolarHBondContact O-N 2.76Å; I648-H650 VanDerWaalsContact C-N 3.35Å; H650-Q652 VanDerWaalsContact C-N 3.33Å; H650-Q652 PolarHBondContact O-N 3.29Å; H650-L653 PolarHBondContact O-N 2.64Å; H650-L654 WeakPolarHBondContact O-CB 3.18Å; H650-L654 PolarHBondContact O-N 2.85Å
651	L	70	Confident	67.6	Low	14 Å²	14	53.1 Å²	53.1	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-38.7	177.4	-74	167.5	0	0	0	112	I581 L582 E647 I648 L654 M655	I581-L651 HydrophobicContact CG2-CD1 3.9Å; L582-L651 HydrophobicContact CB-CB 4.38Å; L582-L651 HydrophobicContact CB-CD1 4.43Å; L582-L651 HydrophobicContact CD1-CB 4Å; E647-L651 HydrophobicContact CG-CD1 4.2Å; E647-L651 WeakPolarHBondContact O-CB 3.5Å; E647-L651 VanDerWaalsContact O-CG 3.32Å; E647-L651 WeakPolarHBondContact O-CG 3.33Å; E647-L651 PolarHBondContact O-N 2.72Å; I648-L651 PolarHBondContact O-N 2.99Å; L651-L654 PolarHBondContact O-N 3.39Å; L651-M655 WeakPolarHBondContact O-CG 3.29Å; L651-M655 PolarHBondContact O-N 3.29Å
652	Q	67.8	Low	67.4	Low	61 Å²	61	52.3 Å²	52.3	29%	0.285	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-46.7	174	-74.9	172.6	8.6	0	0	111.9	L582 I648 H650 L654 M655 D656	L582-Q652 HydrophobicContact CD1-CG 3.95Å; L582-Q652 HydrophobicContact CD2-CG 4.04Å; I648-Q652 WeakPolarHBondContact O-CB 3.34Å; I648-Q652 VanDerWaalsContact O-CG 3.24Å; I648-Q652 WeakPolarHBondContact O-CG 3.19Å; I648-Q652 PolarHBondContact O-N 3.4Å; H650-Q652 VanDerWaalsContact C-N 3.33Å; H650-Q652 PolarHBondContact O-N 3.29Å; Q652-L654 VanDerWaalsContact C-N 3.31Å; Q652-L654 PolarHBondContact O-N 2.82Å; Q652-M655 PolarHBondContact O-N 2.91Å; Q652-D656 PolarHBondContact O-N 2.81Å
653	L	67.8	Low	67.1	Low	72 Å²	72	51.7 Å²	51.7	38%	0.377	25%	0.248	S	C	.	.	H	α-helix	trans	-62.5	-36.7	175.8	-71.7	170.7	0	0	0	112.4	T207 E649 H650 R657	T207-L653 HydrophobicContact CG2-CD1 3.93Å; E649-L653 WeakPolarHBondContact O-CG 3.24Å; E649-L653 PolarHBondContact O-N 3.24Å; E649-L653 VanDerWaalsContact O-N 3.12Å; H650-L653 PolarHBondContact O-N 2.64Å; L653-R657 WeakPolarHBondContact O-CB 3.27Å; L653-R657 PolarHBondContact O-N 3.49Å
654	L	68.9	Low	67.1	Low	17 Å²	17	57.3 Å²	57.3	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-48.4	174.9	-171.8	149.1	0	0	0	111.1	A111 H650 L651 Q652 D656 R657 V658	A111-L654 HydrophobicContact CB-CD1 3.68Å; H650-L654 WeakPolarHBondContact O-CB 3.18Å; H650-L654 PolarHBondContact O-N 2.85Å; L651-L654 PolarHBondContact O-N 3.39Å; Q652-L654 VanDerWaalsContact C-N 3.31Å; Q652-L654 PolarHBondContact O-N 2.82Å; L654-D656 VanDerWaalsContact C-N 3.33Å; L654-D656 PolarHBondContact O-N 3.43Å; L654-R657 PolarHBondContact O-N 3.37Å; L654-V658 HydrophobicContact CD2-CG2 4.27Å; L654-V658 WeakPolarHBondContact O-CG2 3.47Å; L654-V658 PolarHBondContact O-N 3.49Å
655	M	65.8	Low	67	Low	28 Å²	28	59.7 Å²	59.7	14%	0.138	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-40.5	176.1	-70.9	-164.9	87.7	0	0	112.3	I575 L582 L651 Q652 V658 K659	I575-M655 HydrophobicContact CG2-CE 4.13Å; L582-M655 HydrophobicContact CD2-SD 3.62Å; L651-M655 WeakPolarHBondContact O-CG 3.29Å; L651-M655 PolarHBondContact O-N 3.29Å; Q652-M655 PolarHBondContact O-N 2.91Å; M655-V658 PolarHBondContact O-N 3.49Å; M655-K659 VanDerWaalsContact O-CG 3.29Å; M655-K659 WeakPolarHBondContact O-CG 3.29Å; M655-K659 PolarHBondContact O-N 3.23Å
656	D	62.5	Low	67	Low	84 Å²	84	55.2 Å²	55.2	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-69.1	-37	177.6	-77.2	-10	0	0	0	112.6	Q652 L654 V658 K659 V660	Q652-D656 PolarHBondContact O-N 2.81Å; L654-D656 VanDerWaalsContact C-N 3.33Å; L654-D656 PolarHBondContact O-N 3.43Å; D656-V658 VanDerWaalsContact C-N 3.33Å; D656-V658 PolarHBondContact O-N 3.24Å; D656-K659 PolarHBondContact O-N 3.45Å; D656-K659 WeakPolarHBondContact OD1-CD 3.19Å; D656-K659 WeakPolarHBondContact OD1-CE 2.92Å; D656-K659 IonicContact OD1-NZ 2.67Å; D656-K659 PolarHBondContact OD1-NZ 2.96Å; D656-V660 WeakPolarHBondContact O-CG2 3.43Å; D656-V660 PolarHBondContact O-N 3.44Å; D656-V660 VanDerWaalsContact O-N 3.14Å
657	R	61.8	Low	67.2	Low	125 Å²	125	57.4 Å²	57.4	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-42.2	170.5	176.5	173.3	-79.6	-159.1	-9.9	111.4	E213 L653 L654 V660 K661	E213-R657 IonicContact OE2-CZ 3.58Å; E213-R657 IonicContact OE2-NH1 2.67Å; E213-R657 IonicContact OE2-NH2 3.58Å; E213-R657 PolarHBondContact OE2-NH2 3.32Å; L653-R657 WeakPolarHBondContact O-CB 3.27Å; L653-R657 PolarHBondContact O-N 3.49Å; L654-R657 PolarHBondContact O-N 3.37Å; R657-V660 PolarHBondContact O-N 2.64Å; R657-K661 PolarHBondContact O-N 3.37Å; R657-K661 VanDerWaalsContact O-N 3.12Å
658	V	63.1	Low	67.2	Low	11 Å²	11	60.5 Å²	60.5	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-71.9	-38.4	178.2	179.6	0	0	0	0	112.2	I575 L654 M655 D656 V660 K661 I662	I575-V658 HydrophobicContact CD1-CG1 3.51Å; I575-V658 HydrophobicContact CG1-CG1 3.66Å; L654-V658 HydrophobicContact CD2-CG2 4.27Å; L654-V658 WeakPolarHBondContact O-CG2 3.47Å; L654-V658 PolarHBondContact O-N 3.49Å; M655-V658 PolarHBondContact O-N 3.49Å; D656-V658 VanDerWaalsContact C-N 3.33Å; D656-V658 PolarHBondContact O-N 3.24Å; V658-V660 VanDerWaalsContact C-N 3.31Å; V658-V660 PolarHBondContact O-N 2.99Å; V658-K661 WeakPolarHBondContact O-CB 3.5Å; V658-K661 PolarHBondContact O-N 3.19Å; V658-K661 VanDerWaalsContact O-N 3.1Å; V658-I662 HydrophobicContact CG1-CD1 4.15Å; V658-I662 HydrophobicContact CG1-CG1 4.31Å; V658-I662 PolarHBondContact O-N 3.47Å
659	K	63	Low	67.3	Low	100 Å²	100	64 Å²	64	44%	0.435	30%	0.299	S	S	.	.	H	α-helix	trans	-55.6	-44.8	172	-70.9	166.1	-156	164.5	0	111.9	M655 D656 K661 Q663	M655-K659 VanDerWaalsContact O-CG 3.29Å; M655-K659 WeakPolarHBondContact O-CG 3.29Å; M655-K659 PolarHBondContact O-N 3.23Å; D656-K659 PolarHBondContact O-N 3.45Å; D656-K659 WeakPolarHBondContact OD1-CD 3.19Å; D656-K659 WeakPolarHBondContact OD1-CE 2.92Å; D656-K659 IonicContact OD1-NZ 2.67Å; D656-K659 PolarHBondContact OD1-NZ 2.96Å; K659-K661 VanDerWaalsContact C-N 3.33Å; K659-K661 PolarHBondContact O-N 3.44Å; K659-Q663 VanDerWaalsContact O-CG 3.29Å; K659-Q663 WeakPolarHBondContact O-CG 3.31Å; K659-Q663 PolarHBondContact O-N 3.28Å
660	V	64.1	Low	67.6	Low	69 Å²	69	63.6 Å²	63.6	42%	0.418	30%	0.295	S	S	.	.	H	α-helix	trans	-68.4	-31.3	178	172.3	0	0	0	0	112.3	D656 R657 V658 K664	D656-V660 WeakPolarHBondContact O-CG2 3.43Å; D656-V660 PolarHBondContact O-N 3.44Å; D656-V660 VanDerWaalsContact O-N 3.14Å; R657-V660 PolarHBondContact O-N 2.64Å; V658-V660 VanDerWaalsContact C-N 3.31Å; V658-V660 PolarHBondContact O-N 2.99Å; V660-K664 HydrophobicContact CG1-CD 4.44Å; V660-K664 WeakPolarHBondContact O-CG 3.36Å; V660-K664 PolarHBondContact O-N 2.83Å
661	K	68.7	Low	67.4	Low	61 Å²	61	65.3 Å²	65.3	27%	0.265	31%	0.31	S	S	.	.	H	α-helix	trans	-67.6	-53.7	173.6	-174.3	-177.5	176.9	-166.9	0	110.6	E112 E571 R657 V658 K659 Q663 K664 D665	E112-K661 IonicContact OE1-NZ 3.06Å; E112-K661 PolarHBondContact OE1-NZ 3.29Å; E571-K661 VanDerWaalsContact OE1-CE 3.24Å; E571-K661 WeakPolarHBondContact OE1-CE 3.4Å; E571-K661 IonicContact OE1-NZ 2.89Å; E571-K661 PolarHBondContact OE1-NZ 3.41Å; E571-K661 VanDerWaalsContact OE2-CE 3.28Å; E571-K661 WeakPolarHBondContact OE2-CE 3.37Å; E571-K661 IonicContact OE2-NZ 3.48Å; E571-K661 PolarHBondContact OE2-NZ 2.87Å; R657-K661 PolarHBondContact O-N 3.37Å; R657-K661 VanDerWaalsContact O-N 3.12Å; V658-K661 WeakPolarHBondContact O-CB 3.5Å; V658-K661 PolarHBondContact O-N 3.19Å; V658-K661 VanDerWaalsContact O-N 3.1Å; K659-K661 VanDerWaalsContact C-N 3.33Å; K659-K661 PolarHBondContact O-N 3.44Å; K661-Q663 VanDerWaalsContact C-N 3.3Å; K661-Q663 PolarHBondContact O-N 3.24Å; K661-K664 WeakPolarHBondContact O-CB 3.45Å; K661-K664 PolarHBondContact O-N 2.75Å; K661-D665 PolarHBondContact O-N 2.82Å
662	I	67.8	Low	67.2	Low	12 Å²	12	69.8 Å²	69.8	6%	0.062	33%	0.33	C	S	.	.	H	α-helix	trans	-53.3	-44.4	174.8	-73.8	-176.5	0	0	0	111.9	F562 F565 I566 I575 V658 K664 D665 F666	F562-I662 HydrophobicContact CE2-CG2 3.89Å; F562-I662 HydrophobicContact CZ-CG2 4.05Å; F565-I662 HydrophobicContact CE1-CG2 4.35Å; I566-I662 HydrophobicContact CD1-CG2 4.04Å; I566-I662 HydrophobicContact CG1-CG2 3.77Å; I575-I662 HydrophobicContact CD1-CD1 3.41Å; I575-I662 VanDerWaalsContact CD1-CD1 3.41Å; V658-I662 HydrophobicContact CG1-CD1 4.15Å; V658-I662 HydrophobicContact CG1-CG1 4.31Å; V658-I662 PolarHBondContact O-N 3.47Å; I662-K664 VanDerWaalsContact C-N 3.32Å; I662-K664 PolarHBondContact O-N 3.15Å; I662-D665 PolarHBondContact O-N 2.9Å; I662-F666 WeakPolarHBondContact O-CB 3.29Å; I662-F666 PolarHBondContact O-N 3.02Å
663	Q	63	Low	67	Low	107 Å²	107	71.3 Å²	71.3	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-38.3	177.6	-75.2	172.2	-3.7	0	0	112.7	K659 K661 L667	K659-Q663 VanDerWaalsContact O-CG 3.29Å; K659-Q663 WeakPolarHBondContact O-CG 3.31Å; K659-Q663 PolarHBondContact O-N 3.28Å; K661-Q663 VanDerWaalsContact C-N 3.3Å; K661-Q663 PolarHBondContact O-N 3.24Å; Q663-L667 WeakPolarHBondContact O-CB 3.44Å; Q663-L667 WeakPolarHBondContact O-CD1 3.32Å; Q663-L667 VanDerWaalsContact O-CG 3.22Å; Q663-L667 WeakPolarHBondContact O-CG 3.44Å; Q663-L667 PolarHBondContact O-N 3.06Å; Q663-L667 VanDerWaalsContact O-N 3.11Å
664	K	67.8	Low	66.7	Low	138 Å²	138	70.1 Å²	70.1	60%	0.6	34%	0.338	S	S	*	.	H	α-helix	trans	-71.4	-45.4	176.9	-72.9	169.1	-179.6	175.2	0	112.1	V660 K661 I662 L667 K668	V660-K664 HydrophobicContact CG1-CD 4.44Å; V660-K664 WeakPolarHBondContact O-CG 3.36Å; V660-K664 PolarHBondContact O-N 2.83Å; K661-K664 WeakPolarHBondContact O-CB 3.45Å; K661-K664 PolarHBondContact O-N 2.75Å; I662-K664 VanDerWaalsContact C-N 3.32Å; I662-K664 PolarHBondContact O-N 3.15Å; K664-L667 PolarHBondContact O-N 3.09Å; K664-K668 VanDerWaalsContact O-CB 3.32Å; K664-K668 WeakPolarHBondContact O-CB 3.36Å; K664-K668 PolarHBondContact O-N 3.28Å
665	D	69.9	Low	66.1	Low	50 Å²	50	74.1 Å²	74.1	27%	0.267	36%	0.359	S	S	.	.	H	α-helix	trans	-72.5	-30.8	-179.2	-75.1	-55.8	0	0	0	112	F565 K661 I662 K668 W669	F565-D665 HydrophobicContact CZ-CB 4.17Å; K661-D665 PolarHBondContact O-N 2.82Å; I662-D665 PolarHBondContact O-N 2.9Å; D665-K668 PolarHBondContact O-N 3.39Å; D665-K668 IonicContact OD1-NZ 3.88Å; D665-K668 PolarHBondContact OD1-NZ 3.02Å; D665-W669 VanDerWaalsContact O-CB 3.26Å; D665-W669 WeakPolarHBondContact O-CB 3.44Å; D665-W669 PolarHBondContact O-N 2.99Å
666	F	71.6	Confident	65.5	Low	8 Å²	8	76.7 Å²	76.7	4%	0.035	37%	0.373	C	S	.	.	H	α-helix	trans	-62.8	-49	166.6	175.1	-113.1	0	0	0	112.4	K558 F562 F565 I662 K668 W669 W670	K558-F666 HydrophobicContact CG-CE1 4.35Å; K558-F666 HydrophobicContact CG-CZ 4.19Å; F562-F666 HydrophobicContact CB-CD2 4.5Å; F562-F666 HydrophobicContact CB-CE1 4.17Å; F562-F666 HydrophobicContact CB-CE2 3.99Å; F562-F666 HydrophobicContact CB-CZ 3.81Å; F562-F666 HydrophobicContact CD2-CB 3.98Å; F562-F666 AromaticContact CD2-CD1 3.54Å; F562-F666 HydrophobicContact CD2-CD1 3.54Å; F562-F666 AromaticContact CD2-CD2 3.78Å; F562-F666 HydrophobicContact CD2-CD2 3.78Å; F562-F666 AromaticContact CD2-CE1 3.87Å; F562-F666 HydrophobicContact CD2-CE1 3.87Å; F562-F666 HydrophobicContact CD2-CE2 4.09Å; F562-F666 AromaticContact CD2-CG 3.48Å; F562-F666 HydrophobicContact CD2-CG 3.48Å; F562-F666 VanDerWaalsContact CD2-CG 3.48Å; F562-F666 HydrophobicContact CD2-CZ 4.14Å; F562-F666 HydrophobicContact CE2-CB 4.01Å; F562-F666 HydrophobicContact CE2-CD1 4.08Å; F562-F666 HydrophobicContact CE2-CG 4Å; F562-F666 HydrophobicContact CG-CD1 4.48Å; F562-F666 HydrophobicContact CG-CE1 4.41Å; F562-F666 HydrophobicContact CG-CZ 4.46Å; F565-F666 HydrophobicContact CB-CD2 3.79Å; F565-F666 HydrophobicContact CB-CE2 4.21Å; F565-F666 HydrophobicContact CD1-CB 3.7Å; F565-F666 AromaticContact CD1-CD2 3.8Å; F565-F666 HydrophobicContact CD1-CD2 3.8Å; F565-F666 HydrophobicContact CD1-CG 4.2Å; F565-F666 HydrophobicContact CD2-CD2 4.3Å; F565-F666 HydrophobicContact CE1-CB 3.63Å; F565-F666 HydrophobicContact CE1-CD2 4.49Å; F565-F666 HydrophobicContact CG-CB 4.36Å; F565-F666 AromaticContact CG-CD2 3.69Å; F565-F666 HydrophobicContact CG-CD2 3.69Å; F565-F666 HydrophobicContact CZ-CB 4.24Å; I662-F666 WeakPolarHBondContact O-CB 3.29Å; I662-F666 PolarHBondContact O-N 3.02Å; F666-K668 PolarHBondContact O-N 2.87Å; F666-W669 AromaticContact CD2-CE3 3.85Å; F666-W669 HydrophobicContact CD2-CE3 3.85Å; F666-W669 HydrophobicContact CD2-CZ3 4.24Å; F666-W669 AromaticContact CE2-CE3 3.86Å; F666-W669 HydrophobicContact CE2-CE3 3.86Å; F666-W669 AromaticContact CE2-CZ3 3.82Å; F666-W669 HydrophobicContact CE2-CZ3 3.82Å; F666-W669 PolarHBondContact O-N 3.41Å; F666-W670 HydrophobicContact CE2-CE3 4.24Å; F666-W670 HydrophobicContact CZ-CD2 4.43Å; F666-W670 AromaticContact CZ-CE3 3.99Å; F666-W670 HydrophobicContact CZ-CE3 3.99Å; F666-W670 VanDerWaalsContact O-CB 3.27Å; F666-W670 WeakPolarHBondContact O-CB 3.34Å; F666-W670 PolarHBondContact O-N 3.18Å
667	L	68.1	Low	64.8	Low	93 Å²	93	76.5 Å²	76.5	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-37.7	178.9	-77.3	169.2	0	0	0	112	Q663 K664 S671	Q663-L667 WeakPolarHBondContact O-CB 3.44Å; Q663-L667 WeakPolarHBondContact O-CD1 3.32Å; Q663-L667 VanDerWaalsContact O-CG 3.22Å; Q663-L667 WeakPolarHBondContact O-CG 3.44Å; Q663-L667 PolarHBondContact O-N 3.06Å; Q663-L667 VanDerWaalsContact O-N 3.11Å; K664-L667 PolarHBondContact O-N 3.09Å; L667-S671 WeakPolarHBondContact O-CB 3.23Å; L667-S671 PolarHBondContact O-N 3.06Å; L667-S671 PolarHBondContact O-OG 2.9Å
668	K	70.1	Confident	64.1	Low	116 Å²	116	76.9 Å²	76.9	50%	0.504	38%	0.379	S	S	.	.	H	α-helix	trans	-68.3	-45	174.9	175.7	-176.5	161	-153.4	0	111.8	K664 D665 F666 S671 Q672	K664-K668 VanDerWaalsContact O-CB 3.32Å; K664-K668 WeakPolarHBondContact O-CB 3.36Å; K664-K668 PolarHBondContact O-N 3.28Å; D665-K668 PolarHBondContact O-N 3.39Å; D665-K668 IonicContact OD1-NZ 3.88Å; D665-K668 PolarHBondContact OD1-NZ 3.02Å; F666-K668 PolarHBondContact O-N 2.87Å; K668-S671 PolarHBondContact O-N 2.87Å; K668-Q672 WeakPolarHBondContact O-CB 3.33Å; K668-Q672 VanDerWaalsContact O-CG 3.29Å; K668-Q672 WeakPolarHBondContact O-CG 3.47Å; K668-Q672 PolarHBondContact O-N 3.35Å
669	W	76	Confident	63.3	Low	89 Å²	89	80.5 Å²	80.5	34%	0.337	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-49	174.6	174.6	80.2	0	0	0	111.7	A561 F565 D665 F666 S671 Q672 E673	A561-W669 HydrophobicContact CB-CZ3 4.33Å; F565-W669 HydrophobicContact CB-CE3 4.38Å; F565-W669 HydrophobicContact CB-CZ3 4.4Å; F565-W669 HydrophobicContact CD2-CB 4.05Å; F565-W669 AromaticContact CD2-CD2 3.68Å; F565-W669 HydrophobicContact CD2-CD2 3.68Å; F565-W669 AromaticContact CD2-CE3 3.87Å; F565-W669 HydrophobicContact CD2-CE3 3.87Å; F565-W669 AromaticContact CD2-CG 3.75Å; F565-W669 HydrophobicContact CD2-CG 3.75Å; F565-W669 HydrophobicContact CE2-CB 3.64Å; F565-W669 HydrophobicContact CE2-CD2 4.2Å; F565-W669 AromaticContact CE2-CG 3.76Å; F565-W669 HydrophobicContact CE2-CG 3.76Å; F565-W669 HydrophobicContact CG-CE3 4.37Å; F565-W669 HydrophobicContact CZ-CB 4.47Å; D665-W669 VanDerWaalsContact O-CB 3.26Å; D665-W669 WeakPolarHBondContact O-CB 3.44Å; D665-W669 PolarHBondContact O-N 2.99Å; F666-W669 AromaticContact CD2-CE3 3.85Å; F666-W669 HydrophobicContact CD2-CE3 3.85Å; F666-W669 HydrophobicContact CD2-CZ3 4.24Å; F666-W669 AromaticContact CE2-CE3 3.86Å; F666-W669 HydrophobicContact CE2-CE3 3.86Å; F666-W669 AromaticContact CE2-CZ3 3.82Å; F666-W669 HydrophobicContact CE2-CZ3 3.82Å; F666-W669 PolarHBondContact O-N 3.41Å; W669-S671 VanDerWaalsContact C-N 3.31Å; W669-S671 PolarHBondContact O-N 3.06Å; W669-Q672 PolarHBondContact O-N 3.38Å; W669-E673 PolarHBondContact O-N 3.32Å
670	W	71.3	Confident	62.4	Low	53 Å²	53	80 Å²	80	20%	0.201	41%	0.406	C	S	.	.	H	α-helix	trans	-56.8	-42.9	175.5	-173.2	-92.7	0	0	0	111.9	K558 A561 F666 A674	K558-W670 HydrophobicContact CB-CH2 3.99Å; K558-W670 HydrophobicContact CB-CZ2 4.1Å; K558-W670 HydrophobicContact CD-CD2 4.41Å; K558-W670 HydrophobicContact CD-CH2 4.45Å; K558-W670 HydrophobicContact CD-CZ2 3.79Å; K558-W670 HydrophobicContact CG-CD2 4.24Å; K558-W670 HydrophobicContact CG-CE3 4.37Å; K558-W670 HydrophobicContact CG-CH2 3.97Å; K558-W670 HydrophobicContact CG-CZ2 3.81Å; K558-W670 HydrophobicContact CG-CZ3 4.26Å; A561-W670 HydrophobicContact CB-CE3 4.18Å; A561-W670 HydrophobicContact CB-CH2 4.48Å; A561-W670 HydrophobicContact CB-CZ3 3.52Å; F666-W670 HydrophobicContact CE2-CE3 4.24Å; F666-W670 HydrophobicContact CZ-CD2 4.43Å; F666-W670 AromaticContact CZ-CE3 3.99Å; F666-W670 HydrophobicContact CZ-CE3 3.99Å; F666-W670 VanDerWaalsContact O-CB 3.27Å; F666-W670 WeakPolarHBondContact O-CB 3.34Å; F666-W670 PolarHBondContact O-N 3.18Å; W670-A674 WeakPolarHBondContact O-CB 3.38Å; W670-A674 PolarHBondContact O-N 3.43Å
671	S	67.6	Low	61.3	Low	64 Å²	64	78.4 Å²	78.4	45%	0.448	40%	0.404	S	S	.	.	H	α-helix	trans	-69.6	-33.6	175.8	-56.3	0	0	0	0	112.9	L667 K668 W669 L675	L667-S671 WeakPolarHBondContact O-CB 3.23Å; L667-S671 PolarHBondContact O-N 3.06Å; L667-S671 PolarHBondContact O-OG 2.9Å; K668-S671 PolarHBondContact O-N 2.87Å; W669-S671 VanDerWaalsContact C-N 3.31Å; W669-S671 PolarHBondContact O-N 3.06Å; S671-L675 WeakPolarHBondContact O-CG 3.48Å; S671-L675 PolarHBondContact O-N 3.11Å
672	Q	64.9	Low	59.8	Low	107 Å²	107	81.5 Å²	81.5	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-69.8	-40.3	175.5	-77	177.3	-36.7	0	0	111.6	K668 W669 L675 N676	K668-Q672 WeakPolarHBondContact O-CB 3.33Å; K668-Q672 VanDerWaalsContact O-CG 3.29Å; K668-Q672 WeakPolarHBondContact O-CG 3.47Å; K668-Q672 PolarHBondContact O-N 3.35Å; W669-Q672 PolarHBondContact O-N 3.38Å; Q672-L675 WeakPolarHBondContact O-CB 3.36Å; Q672-L675 PolarHBondContact O-N 3Å; Q672-N676 VanDerWaalsContact O-CG 3.25Å; Q672-N676 PolarHBondContact O-N 2.75Å; Q672-N676 PolarHBondContact O-ND2 3.46Å
673	E	64	Low	58.3	Low	93 Å²	93	89.1 Å²	89.1	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-71	-35.4	177.2	-157.4	69.7	164.3	0	0	111.8	W669 L675 N676 L677	W669-E673 PolarHBondContact O-N 3.32Å; E673-L675 VanDerWaalsContact C-N 3.3Å; E673-L675 PolarHBondContact O-N 3.13Å; E673-N676 PolarHBondContact O-N 2.96Å; E673-N676 PolarHBondContact OE2-ND2 3.1Å; E673-L677 PolarHBondContact O-N 3.36Å
674	A	61.3	Low	56.9	Low	47 Å²	47	88 Å²	88	39%	0.388	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-33	168.4	0	0	0	0	0	113.4	W670	W670-A674 WeakPolarHBondContact O-CB 3.38Å; W670-A674 PolarHBondContact O-N 3.43Å
675	L	55.2	Low	55.4	Low	101 Å²	101	85.2 Å²	85.2	53%	0.529	46%	0.458	S	S	.	.	H	α-helix	trans	-75.8	-37.8	173.1	-79.2	163.6	0	0	0	112.2	S671 Q672 E673 L677 Q678 V679	S671-L675 WeakPolarHBondContact O-CG 3.48Å; S671-L675 PolarHBondContact O-N 3.11Å; Q672-L675 WeakPolarHBondContact O-CB 3.36Å; Q672-L675 PolarHBondContact O-N 3Å; E673-L675 VanDerWaalsContact C-N 3.3Å; E673-L675 PolarHBondContact O-N 3.13Å; L675-L677 PolarHBondContact O-N 3.44Å; L675-Q678 PolarHBondContact O-N 3Å; L675-Q678 VanDerWaalsContact O-N 3.08Å; L675-V679 PolarHBondContact O-N 2.94Å
676	N	52.9	Low	53.6	Low	83 Å²	83	91.4 Å²	91.4	44%	0.444	49%	0.485	S	S	.	.	H	α-helix	trans	-59.5	-35.5	174	-70.5	-25.7	0	0	0	111.7	Q672 E673 V679 T680	Q672-N676 VanDerWaalsContact O-CG 3.25Å; Q672-N676 PolarHBondContact O-N 2.75Å; Q672-N676 PolarHBondContact O-ND2 3.46Å; E673-N676 PolarHBondContact O-N 2.96Å; E673-N676 PolarHBondContact OE2-ND2 3.1Å; N676-V679 PolarHBondContact O-N 2.54Å; N676-T680 WeakPolarHBondContact O-CB 3.42Å; N676-T680 WeakPolarHBondContact O-CG2 3.48Å; N676-T680 PolarHBondContact O-N 3.4Å; N676-T680 PolarHBondContact O-OG1 3.44Å
677	L	48.3	Very low	51.6	Low	79 Å²	79	102.5 Å²	102.5	41%	0.414	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-39.5	172.3	-76.4	167.6	0	0	0	113.1	E673 L675 T680 G681	E673-L677 PolarHBondContact O-N 3.36Å; L675-L677 PolarHBondContact O-N 3.44Å; L677-T680 WeakPolarHBondContact CA-OG1 3.2Å; L677-T680 PolarHBondContact O-OG1 3.29Å; L677-G681 PolarHBondContact O-N 2.7Å
678	Q	48.1	Very low	49.8	Very low	133 Å²	133	101.8 Å²	101.8	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-68.1	-42.6	176.7	-66.4	-172.4	-2.5	0	0	112.1	L675 G681 L682	L675-Q678 PolarHBondContact O-N 3Å; L675-Q678 VanDerWaalsContact O-N 3.08Å; Q678-G681 PolarHBondContact O-N 3.35Å; Q678-L682 VanDerWaalsContact O-CD1 3.27Å; Q678-L682 WeakPolarHBondContact O-CD1 3.23Å; Q678-L682 PolarHBondContact O-N 3.02Å
679	V	44.8	Very low	47.8	Very low	87 Å²	87	106.1 Å²	106.1	53%	0.527	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-46.2	178.6	178.9	0	0	0	0	111.2	L675 N676 G681 L682 F683	L675-V679 PolarHBondContact O-N 2.94Å; N676-V679 PolarHBondContact O-N 2.54Å; V679-G681 VanDerWaalsContact C-N 3.31Å; V679-G681 PolarHBondContact O-N 2.71Å; V679-L682 PolarHBondContact O-N 2.79Å; V679-F683 HydrophobicContact CG1-CD2 4.27Å; V679-F683 HydrophobicContact CG1-CE2 4.29Å; V679-F683 WeakPolarHBondContact O-CD2 3.09Å; V679-F683 PolarHBondContact O-N 3.43Å
680	T	44.1	Very low	45.5	Very low	90 Å²	90	107.9 Å²	107.9	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-66.1	-33.2	177.3	49.4	0	0	0	0	112.4	N676 L677 F683 S684	N676-T680 WeakPolarHBondContact O-CB 3.42Å; N676-T680 WeakPolarHBondContact O-CG2 3.48Å; N676-T680 PolarHBondContact O-N 3.4Å; N676-T680 PolarHBondContact O-OG1 3.44Å; L677-T680 WeakPolarHBondContact CA-OG1 3.2Å; L677-T680 PolarHBondContact O-OG1 3.29Å; T680-F683 PolarHBondContact O-N 3.26Å; T680-S684 PolarHBondContact O-N 2.85Å
681	G	42	Very low	43.3	Very low	35 Å²	35	115 Å²	115	36%	0.361	61%	0.61	S	S	.	*	H	α-helix	trans	-55.4	-52.6	170.7	0	0	0	0	0	112.9	L677 Q678 V679 F683 S684	L677-G681 PolarHBondContact O-N 2.7Å; Q678-G681 PolarHBondContact O-N 3.35Å; V679-G681 VanDerWaalsContact C-N 3.31Å; V679-G681 PolarHBondContact O-N 2.71Å; G681-F683 VanDerWaalsContact C-N 3.3Å; G681-F683 PolarHBondContact O-N 3.3Å; G681-S684 PolarHBondContact O-N 3.13Å; G681-S684 VanDerWaalsContact O-N 3.1Å; G681-S684 PolarHBondContact O-OG 3.35Å
682	L	37.6	Very low	41.3	Very low	127 Å²	127	118 Å²	118	67%	0.665	63%	0.629	S	S	*	*	H	α-helix	trans	-63.3	-29.7	-179.8	-90.1	87.6	0	0	0	114.2	Q678 V679 S684 S685	Q678-L682 VanDerWaalsContact O-CD1 3.27Å; Q678-L682 WeakPolarHBondContact O-CD1 3.23Å; Q678-L682 PolarHBondContact O-N 3.02Å; V679-L682 PolarHBondContact O-N 2.79Å; L682-S684 VanDerWaalsContact C-N 3.31Å; L682-S684 PolarHBondContact O-N 3.01Å; L682-S685 PolarHBondContact O-OG 2.92Å
683	F	36	Very low	39.5	Very low	171 Å²	171	119.2 Å²	119.2	75%	0.75	64%	0.643	S	S	*	*	H	α-helix	trans	-76.6	-15.6	176.1	-84.6	-75.9	0	0	0	114	V679 T680 G681	V679-F683 HydrophobicContact CG1-CD2 4.27Å; V679-F683 HydrophobicContact CG1-CE2 4.29Å; V679-F683 WeakPolarHBondContact O-CD2 3.09Å; V679-F683 PolarHBondContact O-N 3.43Å; T680-F683 PolarHBondContact O-N 3.26Å; G681-F683 VanDerWaalsContact C-N 3.3Å; G681-F683 PolarHBondContact O-N 3.3Å
684	S	34.6	Very low	37.6	Very low	83 Å²	83	123 Å²	123	58%	0.58	66%	0.66	S	S	*	*	H	α-helix	trans	-82.3	-31.8	178	73.6	0	0	0	0	113.6	T680 G681 L682	T680-S684 PolarHBondContact O-N 2.85Å; G681-S684 PolarHBondContact O-N 3.13Å; G681-S684 VanDerWaalsContact O-N 3.1Å; G681-S684 PolarHBondContact O-OG 3.35Å; L682-S684 VanDerWaalsContact C-N 3.31Å; L682-S684 PolarHBondContact O-N 3.01Å
685	S	34.9	Very low	35.9	Very low	81 Å²	81	126.9 Å²	126.9	57%	0.566	68%	0.68	S	S	*	*	H	α-helix	trans	-80	-19.8	-171.3	55.6	0	0	0	0	114.5	L682	L682-S685 PolarHBondContact O-OG 2.92Å
686	H	32.2	Very low	34.7	Very low	180 Å²	180	133.9 Å²	133.9	83%	0.833	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	8.6	-176.4	-95.9	-32.4	0	0	0	116.2
687	R	28.9	Very low	33.4	Very low	241 Å²	241	133.6 Å²	133.6	91%	0.909	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	3.4	179.3	-106.5	-177.3	-178.6	-172.9	1.5	116.5
688	A	31.5	Very low	32.4	Very low	77 Å²	77	138 Å²	138	64%	0.636	74%	0.738	S	S	*	*	S	Bend	trans	-124.3	28.2	-166.8	0	0	0	0	0	116
689	F	28.3	Very low	31.2	Very low	207 Å²	207	141.8 Å²	141.8	91%	0.908	75%	0.754	S	S	*	*			trans	-143.5	60.6	174.4	-112.7	-75.2	0	0	0	114.1
690	C	27.4	Very low	30.3	Very low	126 Å²	126	145.2 Å²	145.2	85%	0.851	77%	0.766	S	S	*	*			trans	-155.3	78.4	170.6	-105.2	0	0	0	0	114
691	K	25.3	Very low	29.5	Very low	204 Å²	204	147.8 Å²	147.8	89%	0.887	78%	0.775	S	S	*	*			trans	178.5	149.4	142.5	-100	156.7	-174.1	179.4	0	111.5
692	C	24.9	Very low	28.7	Very low	125 Å²	125	151 Å²	151	85%	0.845	79%	0.791	S	S	*	*			trans	66	139.7	179.9	-59	0	0	0	0	115.5
693	V	27	Very low	28.1	Very low	133 Å²	133	152.5 Å²	152.5	81%	0.806	79%	0.794	S	S	*	*			cis	-149.6	162.2	-9.7	115.2	0	0	0	0	109.4
694	H	25	Very low	27.6	Very low	172 Å²	172	149.6 Å²	149.6	80%	0.796	79%	0.787	S	S	*	*			trans	-60.1	141.5	174.9	-77.7	-7.5	0	0	0	113.5
695	T	26	Very low	27.2	Very low	130 Å²	130	154.2 Å²	154.2	80%	0.798	80%	0.796	S	S	*	*				178.3	161.2	102.5	29.8	0	0	0	0	112.6
696	R	28.4	Very low	26.8	Very low	248 Å²	248	155.5 Å²	155.5	94%	0.936	80%	0.801	S	S	*	*			trans	53.3	96.4	165.5	-69.8	178.3	174.2	171.9	-1.8	116.6
697	G	25.6	Very low	26.6	Very low	76 Å²	76	152 Å²	152	78%	0.784	79%	0.793	S	S	*	*			trans	-94.5	163.4	164	0	0	0	0	0	112.9
698	L	27.3	Very low	26.6	Very low	171 Å²	171	146.8 Å²	146.8	90%	0.895	78%	0.782	S	S	*	*			trans	-151.5	115.9	152	-147.9	80.7	0	0	0	108.2
699	F	24.3	Very low	26.4	Very low	214 Å²	214	149 Å²	149	94%	0.939	78%	0.783	S	S	*	*			trans	-150.8	117.2	169.4	-116.5	-77.3	0	0	0	109.2
700	M	26.1	Very low	26.3	Very low	158 Å²	158	149.7 Å²	149.7	78%	0.778	78%	0.78	S	S	*	*			trans	-99.3	146.1	162	-77.3	-153.1	-65.4	0	0	109.3
701	L	26.8	Very low	26.2	Very low	145 Å²	145	153.7 Å²	153.7	76%	0.759	78%	0.777	S	S	*	*				30.7	135.4	127.4	-46.7	174.8	0	0	0	117.8
702	C	25.1	Very low	26.2	Very low	102 Å²	102	150.6 Å²	150.6	69%	0.689	77%	0.769	S	S	*	*			cis	-164.8	151.7	8.6	-129.6	0	0	0	0	114.3
703	H	25	Very low	26.2	Very low	158 Å²	158	153.1 Å²	153.1	73%	0.731	77%	0.768	S	S	*	*			trans	35.9	125.2	134	-94.9	9.3	0	0	0	123.7
704	N	25.1	Very low	27.2	Very low	111 Å²	111	151.9 Å²	151.9	59%	0.594	76%	0.763	S	S	*	*				81.6	139.7	122.6	-81.7	-24.5	0	0	0	123.2
705	K	26.1	Very low	27.2	Very low	180 Å²	180	153 Å²	153	78%	0.783	77%	0.769	S	S	*	*			trans	72.5	149.8	139.2	-77.3	175.2	-176.7	-176.8	0	119.1
706	T	26.7	Very low	27.3	Very low	108 Å²	108	151.4 Å²	151.4	66%	0.663	77%	0.769	S	S	*	*			cis	-167.2	169.5	-30.9	14.8	0	0	0	0	109.1
707	T	28.8	Very low	27.2	Very low	107 Å²	107	145.1 Å²	145.1	66%	0.656	76%	0.763	S	S	*	*			trans	69.1	125.2	145.1	44.2	0	0	0	0	123
708	N	28.6	Very low	27.2	Very low	130 Å²	130	145.9 Å²	145.9	70%	0.695	76%	0.762	S	S	*	*				84.1	113.3	124.5	-65.2	-0.7	0	0	0	123.9
709	N	27.8	Very low	27.1	Very low	123 Å²	123	148.1 Å²	148.1	66%	0.658	76%	0.76	S	S	*	*				75.9	119.7	116.6	-70.2	-9.2	0	0	0	124.6
710	W	25.7	Very low	27.2	Very low	222 Å²	222	143.7 Å²	143.7	84%	0.841	75%	0.75	S	S	*	*				71.6	134.2	127.1	-74.9	119.1	0	0	0	123.5
711	R	24.6	Very low	27.3	Very low	210 Å²	210	143 Å²	143	79%	0.792	75%	0.745	S	S	*	*			trans	95.4	118.2	136.9	-84.4	179.1	164.4	-144.8	-2.4	122.3
712	I	26.6	Very low	27.3	Very low	139 Å²	139	142.6 Å²	142.6	71%	0.713	74%	0.744	S	S	*	*				94.5	134.4	122.9	-76	171.3	0	0	0	120.8
713	Q	24.4	Very low	27.4	Very low	178 Å²	178	144.2 Å²	144.2	83%	0.832	75%	0.75	S	S	*	*			trans	-88.8	-157.6	168.6	-61.7	-177.4	-44	0	0	109.7
714	P	47.4	Very low	27.5	Very low	108 Å²	108	142 Å²	142	70%	0.701	75%	0.751	S	S	*	*			cis	-131.3	-175.8	-15.6	43.2	-27.5	0	0	0	113.6
715	Q	25.5	Very low	27.6	Very low	195 Å²	195	145.2 Å²	145.2	91%	0.911	76%	0.762	S	S	*	*				-170.6	172.3	127.8	-104.8	172.6	14.6	0	0	112.1
716	A	27.4	Very low	27.6	Very low	96 Å²	96	141.7 Å²	141.7	79%	0.793	76%	0.756	S	S	*	*			trans	-120.2	-170.1	-179.4	0	0	0	0	0	109.5
717	S	26	Very low	27.6	Very low	117 Å²	117	144.7 Å²	144.7	82%	0.818	77%	0.768	S	S	*	*			cis	-161	168.8	4	60.4	0	0	0	0	109.7
718	A	26.6	Very low	27.5	Very low	92 Å²	92	143 Å²	143	76%	0.76	77%	0.771	S	S	*	*			trans	-176.5	150.2	147.7	0	0	0	0	0	113.4
719	Y	24.7	Very low	27.5	Very low	218 Å²	218	146.1 Å²	146.1	86%	0.855	78%	0.779	S	S	*	*			trans	-114.3	172.9	164.2	-88.8	-114.3	0	0	0	108
720	V	27.2	Very low	27.5	Very low	121 Å²	121	146.3 Å²	146.3	73%	0.733	78%	0.78	S	S	*	*				178.2	133.7	73.1	158.6	0	0	0	0	111.1
721	H	26.6	Very low	27.6	Very low	142 Å²	142	144.6 Å²	144.6	66%	0.657	78%	0.778	S	S	*	*			trans	41.9	128.3	148.2	-71.5	-110.1	0	0	0	122.8
722	N	26.9	Very low	28	Very low	138 Å²	138	142.5 Å²	142.5	74%	0.738	78%	0.782	S	S	*	*				75.3	145.8	79.9	-60.2	7.2	0	0	0	114.2
723	V	27.5	Very low	28.4	Very low	136 Å²	136	141.9 Å²	141.9	82%	0.824	79%	0.787	S	S	*	*			cis	-151.5	169.3	49.5	168.1	0	0	0	0	113.2
724	C	27.7	Very low	28.6	Very low	111 Å²	111	137.9 Å²	137.9	75%	0.75	78%	0.784	S	S	*	*			trans	-46.9	-177.6	-179	-44.7	0	0	0	0	119
725	E	26.4	Very low	27.9	Very low	178 Å²	178	138.4 Å²	138.4	83%	0.832	79%	0.787	S	S	*	*			cis	-156.2	-179.1	28.2	-91.9	-152	97.1	0	0	112
726	V	27.5	Very low	27.8	Very low	106 Å²	106	135.6 Å²	135.6	64%	0.642	78%	0.784	S	S	*	*			cis	-172.5	138.3	-38.1	144.1	0	0	0	0	108.3
727	N	25.8	Very low	27.6	Very low	172 Å²	172	142.7 Å²	142.7	92%	0.92	79%	0.79	S	S	*	*			trans	176	157.7	151.5	-104.5	-44.4	0	0	0	113.1
728	G	27.4	Very low	27.5	Very low	71 Å²	71	142.7 Å²	142.7	73%	0.732	79%	0.79	S	S	*	*			trans	161.1	-56.9	150	0	0	0	0	0	124.2
729	K	27.5	Very low	27.4	Very low	196 Å²	196	142.4 Å²	142.4	85%	0.852	79%	0.787	S	S	*	*			trans	63.8	137.4	176.6	-81.5	-174	167.8	-167.2	0	123.7
730	D	29.1	Very low	27.3	Very low	126 Å²	126	144.4 Å²	144.4	67%	0.674	79%	0.794	S	S	*	*			trans	80.7	179.8	139.4	-71.9	-53.2	0	0	0	123.9
731	K	27.3	Very low	27.1	Very low	186 Å²	186	146.2 Å²	146.2	81%	0.809	80%	0.799	S	S	*	*			trans	-123.5	168.3	-133	-61.8	175.3	-176.3	171.3	0	118.4
732	L	32	Very low	27	Very low	167 Å²	167	148.8 Å²	148.8	87%	0.874	81%	0.809	S	S	*	*			trans	-33.9	149.6	166.9	-71.9	161	0	0	0	117.8
733	P	34.7	Very low	26.8	Very low	126 Å²	126	147.4 Å²	147.4	82%	0.818	81%	0.81	S	S	*	*				-143.3	-169.6	105.1	40.4	-26.5	0	0	0	115.2
734	A	30.1	Very low	26.7	Very low	93 Å²	93	150.3 Å²	150.3	77%	0.769	81%	0.814	S	S	*	*			trans	-122.5	166.5	-174.3	0	0	0	0	0	114.3
735	P	32.7	Very low	26.6	Very low	119 Å²	119	153.6 Å²	153.6	77%	0.773	82%	0.819	S	S	*	*			trans	-134.8	135.8	146.4	30.3	-13.1	0	0	0	112.9
736	V	22.8	Very low	26.5	Very low	137 Å²	137	154.3 Å²	154.3	83%	0.83	82%	0.822	S	S	*	*				98.5	139.8	66.4	166.2	0	0	0	0	113.5
737	W	24.2	Very low	26.4	Very low	244 Å²	244	154.2 Å²	154.2	92%	0.924	83%	0.826	S	S	*	*			trans	-82.1	165.3	178.9	-58	-5.3	0	0	0	113.3
738	S	23.6	Very low	26.7	Very low	117 Å²	117	155.3 Å²	155.3	82%	0.818	82%	0.823	S	S	*	*				178.7	159.2	116.2	46.4	0	0	0	0	114.5
739	A	23.1	Very low	26.8	Very low	86 Å²	86	159.1 Å²	159.1	71%	0.711	83%	0.826	S	S	*	*			trans	52.4	120.8	157.3	0	0	0	0	0	120.4
740	W	23.1	Very low	26.8	Very low	260 Å²	260	154.1 Å²	154.1	99%	0.985	82%	0.816	S	S	*	*				-150	139.6	102.2	-104	27.4	0	0	0	108.7
741	N	23.6	Very low	26.6	Very low	159 Å²	159	158 Å²	158	85%	0.85	82%	0.823	S	S	*	*			trans	-161.6	107.1	-177.3	-168.4	12.2	0	0	0	111
742	K	23.5	Very low	26.6	Very low	197 Å²	197	160.7 Å²	160.7	86%	0.857	83%	0.828	S	S	*	*			trans	-172.7	125.4	155.3	-112	169.9	-176.2	-177.1	0	113.2
743	S	24	Very low	26.4	Very low	109 Å²	109	162.7 Å²	162.7	76%	0.762	82%	0.824	S	S	*	*			trans	36.8	117.9	138	-51.9	0	0	0	0	120.8
744	Q	24.1	Very low	26	Very low	196 Å²	196	164 Å²	164	92%	0.916	82%	0.824	S	S	*	*				-154.6	143.3	108.3	-120.7	173	-15.9	0	0	112
745	E	27.1	Very low	26.1	Very low	181 Å²	181	166.6 Å²	166.6	85%	0.846	82%	0.824	S	S	*	*			trans	-92	141.8	160	-64.5	169.4	101.1	0	0	107.8
746	E	24.5	Very low	25.9	Very low	193 Å²	193	165.9 Å²	165.9	90%	0.902	82%	0.822	S	S	*	*			trans	171.3	170.9	135.3	-99.5	-178.8	176.4	0	0	112.8
747	S	24	Very low	26.4	Very low	103 Å²	103	165.1 Å²	165.1	72%	0.72	82%	0.818	S	S	*	*			trans	64.5	92.2	162.3	-158.3	0	0	0	0	118.9
748	K	32.5	Very low	26.7	Very low	196 Å²	196	158.2 Å²	158.2	85%	0.852	80%	0.803	S	S	*	*			trans	-78.2	156.6	143.5	-70.5	179.2	178	177.2	0	109.1
749	N	29.2	Very low	27.1	Very low	151 Å²	151	159.3 Å²	159.3	81%	0.807	81%	0.805	S	S	*	*			trans	75.6	90.5	175.5	-61.7	-16.2	0	0	0	117.6
750	S	27	Very low	27.6	Very low	91 Å²	91	162.5 Å²	162.5	64%	0.636	81%	0.809	S	S	*	*	S	Bend	trans	-155.8	-48.5	148.9	57.1	0	0	0	0	112.9	W752	S750-W752 PolarHBondContact O-N 3.46Å
751	Y	24.8	Very low	28.2	Very low	208 Å²	208	155.2 Å²	155.2	82%	0.816	79%	0.793	S	S	*	*	S	Bend	trans	-70	12.6	-166.5	-94.4	-88	0	0	0	118.7
752	W	27.6	Very low	28.9	Very low	242 Å²	242	152.6 Å²	152.6	92%	0.917	79%	0.787	S	S	*	*	S	Bend	trans	-108.5	23.8	-173.6	-75	116.8	0	0	0	115.5	S750	S750-W752 PolarHBondContact O-N 3.46Å
753	R	28.1	Very low	29.8	Very low	208 Å²	208	148.2 Å²	148.2	79%	0.785	78%	0.781	S	S	*	*	S	Bend	trans	-122.2	-37.4	175.3	-71.5	-170.1	176.1	-176.4	-0	115.5	L755 S756	R753-L755 VanDerWaalsContact C-N 3.31Å; R753-L755 PolarHBondContact O-N 2.98Å; R753-L755 VanDerWaalsContact O-N 3.17Å; R753-S756 PolarHBondContact O-OG 2.99Å
754	D	27.6	Very low	30.8	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	21.3	-162.3	-60.9	-5.1	0	0	0	115.1
755	L	30.4	Very low	32	Very low	149 Å²	149	142.5 Å²	142.5	78%	0.78	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	13.3	177.2	-88.8	163.5	0	0	0	113.8	R753	R753-L755 VanDerWaalsContact C-N 3.31Å; R753-L755 PolarHBondContact O-N 2.98Å; R753-L755 VanDerWaalsContact O-N 3.17Å
756	S	29.7	Very low	32.7	Very low	103 Å²	103	139.4 Å²	139.4	72%	0.72	75%	0.751	S	S	*	*	S	Bend	trans	-81.9	-6.3	179.9	52.2	0	0	0	0	114.6	R753	R753-S756 PolarHBondContact O-OG 2.99Å
757	T	33.4	Very low	34	Very low	122 Å²	122	135.3 Å²	135.3	75%	0.748	73%	0.734	S	S	*	*			trans	-133.7	59.8	-170.1	55.4	0	0	0	0	114.4
758	T	29.3	Very low	35.3	Very low	99 Å²	99	134.5 Å²	134.5	61%	0.607	73%	0.725	S	S	*	*			trans	-139.4	96.6	168.7	-35.4	0	0	0	0	112.3	L760	T758-L760 PolarHBondContact O-N 3.25Å; T758-L760 VanDerWaalsContact O-N 3.16Å
759	T	33.4	Very low	36.1	Very low	140 Å²	140	128.6 Å²	128.6	86%	0.859	72%	0.72	S	S	*	*			trans	-78.8	92.8	174.2	49.2	0	0	0	0	111	T761	T759-T761 PolarHBondContact O-N 2.96Å
760	L	32.9	Very low	37.2	Very low	152 Å²	152	125.4 Å²	125.4	80%	0.796	70%	0.703	S	S	*	*			trans	-73.4	114	176.3	-75.8	164.9	0	0	0	111.7	T758	T758-L760 PolarHBondContact O-N 3.25Å; T758-L760 VanDerWaalsContact O-N 3.16Å
761	T	35.2	Very low	38.2	Very low	107 Å²	107	129.7 Å²	129.7	66%	0.656	71%	0.713	S	S	*	*			trans	-75.7	142.4	170.6	45.6	0	0	0	0	110.8	T759 S763	T759-T761 PolarHBondContact O-N 2.96Å; T761-S763 VanDerWaalsContact C-N 3.26Å; T761-S763 PolarHBondContact O-N 3.3Å
762	S	38.2	Very low	39.2	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	47.3	-166.2	57.2	0	0	0	0	114.5
763	S	42.5	Very low	40.1	Very low	105 Å²	105	119 Å²	119	73%	0.734	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	7.4	-176	59.3	0	0	0	0	114.8	T761	T761-S763 VanDerWaalsContact C-N 3.26Å; T761-S763 PolarHBondContact O-N 3.3Å
764	S	46.5	Very low	41.1	Very low	91 Å²	91	109.8 Å²	109.8	64%	0.636	65%	0.651	S	S	*	*			trans	-151.8	77.4	-179.3	58.7	0	0	0	0	112.5
765	I	48.3	Very low	42.2	Very low	94 Å²	94	106 Å²	106	48%	0.482	64%	0.636	S	S	.	*			trans	-119.3	118.3	157.9	-59	177.1	0	0	0	105.5	L767 I777 V781	I765-L767 PolarHBondContact O-N 3.14Å; I765-I777 HydrophobicContact CG2-CG2 4.47Å; I765-V781 HydrophobicContact CD1-CG2 4.07Å
766	P	41.7	Very low	43.1	Very low	117 Å²	117	101.2 Å²	101.2	76%	0.76	61%	0.612	S	S	*	*			trans	-69.4	118.5	174.7	28.4	-31.8	0	0	0	108.7
767	L	52.1	Low	44	Very low	106 Å²	106	98.9 Å²	98.9	56%	0.555	59%	0.59	S	S	*	*			trans	-69.8	141.4	174.9	-63.9	-179.2	0	0	0	109.7	I765 G769 D774	I765-L767 PolarHBondContact O-N 3.14Å; L767-G769 VanDerWaalsContact C-N 3.33Å; L767-D774 WeakPolarHBondContact CB-OD2 3.39Å; L767-D774 HydrophobicContact CD2-CB 4.14Å
768	T	52.2	Low	45	Very low	86 Å²	86	97.2 Å²	97.2	53%	0.528	58%	0.576	S	S	.	*			trans	-77.2	-19.4	-173	61.7	0	0	0	0	113.3	D770 V773 D774 I777	T768-D770 VanDerWaalsContact C-N 3.31Å; T768-V773 HydrophobicContact CG2-CG1 4.49Å; T768-D774 WeakPolarHBondContact CB-OD1 3.45Å; T768-D774 VanDerWaalsContact N-CG 3.34Å; T768-D774 PolarHBondContact N-OD1 2.95Å; T768-D774 PolarHBondContact N-OD2 3.34Å; T768-D774 VanDerWaalsContact N-OD2 3.14Å; T768-D774 VanDerWaalsContact OG1-CG 3.3Å; T768-D774 PolarHBondContact OG1-OD1 3.36Å; T768-I777 HydrophobicContact CG2-CD1 4.22Å
769	G	48.7	Very low	46.1	Very low	72 Å²	72	93.7 Å²	93.7	74%	0.742	56%	0.557	S	S	*	*	S	Bend	trans	88.8	-5.4	-178	0	0	0	0	0	113.8	L767 D774	L767-G769 VanDerWaalsContact C-N 3.33Å; G769-D774 PolarHBondContact N-OD2 3.44Å
770	D	52.9	Low	46.8	Very low	85 Å²	85	90.1 Å²	90.1	46%	0.455	53%	0.53	S	S	.	.			trans	-91.4	116.2	166.7	-176.9	-45.8	0	0	0	108.9	T768 E772 V773 D774	T768-D770 VanDerWaalsContact C-N 3.31Å; D770-E772 VanDerWaalsContact C-N 3.28Å; D770-E772 PolarHBondContact O-N 3.31Å; D770-E772 PolarHBondContact OD1-N 3.37Å; D770-V773 HydrophobicContact CB-CB 3.99Å; D770-V773 HydrophobicContact CB-CG2 3.95Å; D770-V773 PolarHBondContact O-N 3.37Å; D770-V773 PolarHBondContact OD1-N 2.77Å; D770-V773 VanDerWaalsContact OD1-N 3.17Å; D770-D774 VanDerWaalsContact O-CB 3.3Å; D770-D774 WeakPolarHBondContact O-CB 3.47Å; D770-D774 VanDerWaalsContact O-CG 3.28Å; D770-D774 PolarHBondContact O-N 3.22Å
771	Q	47	Very low	47.7	Very low	180 Å²	180	85.3 Å²	85.3	84%	0.841	51%	0.507	S	S	*	.	H	α-helix	trans	-68.9	-22.5	-170.6	-162.8	172.1	22.5	0	0	113.7	S775	Q771-S775 WeakPolarHBondContact O-CB 3.44Å; Q771-S775 PolarHBondContact O-N 3.44Å
772	E	45.6	Very low	48.6	Very low	160 Å²	160	83.8 Å²	83.8	75%	0.748	49%	0.494	S	S	*	.	H	α-helix	trans	-83.8	-42.9	175.7	-167.9	169.1	-158.9	0	0	110.3	D770 S775 D776	D770-E772 VanDerWaalsContact C-N 3.28Å; D770-E772 PolarHBondContact O-N 3.31Å; D770-E772 PolarHBondContact OD1-N 3.37Å; E772-S775 WeakPolarHBondContact O-CB 3.45Å; E772-S775 PolarHBondContact O-N 3.18Å; E772-D776 PolarHBondContact O-N 3.08Å
773	V	46.4	Very low	49.1	Very low	66 Å²	66	81.2 Å²	81.2	40%	0.4	48%	0.479	S	S	.	.	H	α-helix	trans	-64.4	-44.9	176.3	178.2	0	0	0	0	111.8	T768 D770 S775 D776 I777	T768-V773 HydrophobicContact CG2-CG1 4.49Å; D770-V773 HydrophobicContact CB-CB 3.99Å; D770-V773 HydrophobicContact CB-CG2 3.95Å; D770-V773 PolarHBondContact O-N 3.37Å; D770-V773 PolarHBondContact OD1-N 2.77Å; D770-V773 VanDerWaalsContact OD1-N 3.17Å; V773-S775 VanDerWaalsContact C-N 3.28Å; V773-S775 PolarHBondContact O-N 3.27Å; V773-D776 PolarHBondContact O-N 3.34Å; V773-I777 HydrophobicContact CG1-CD1 3.87Å; V773-I777 HydrophobicContact CG1-CG1 4.48Å; V773-I777 WeakPolarHBondContact O-CG1 3.47Å; V773-I777 PolarHBondContact O-N 3.06Å
774	D	48.8	Very low	49.2	Very low	15 Å²	15	83.6 Å²	83.6	8%	0.08	47%	0.472	C	S	.	.	H	α-helix	trans	-67	-31.1	179.5	-72.3	-24.8	0	0	0	112.1	L767 T768 G769 D770 L778	L767-D774 WeakPolarHBondContact CB-OD2 3.39Å; L767-D774 HydrophobicContact CD2-CB 4.14Å; T768-D774 WeakPolarHBondContact CB-OD1 3.45Å; T768-D774 VanDerWaalsContact N-CG 3.34Å; T768-D774 PolarHBondContact N-OD1 2.95Å; T768-D774 PolarHBondContact N-OD2 3.34Å; T768-D774 VanDerWaalsContact N-OD2 3.14Å; T768-D774 VanDerWaalsContact OG1-CG 3.3Å; T768-D774 PolarHBondContact OG1-OD1 3.36Å; G769-D774 PolarHBondContact N-OD2 3.44Å; D770-D774 VanDerWaalsContact O-CB 3.3Å; D770-D774 WeakPolarHBondContact O-CB 3.47Å; D770-D774 VanDerWaalsContact O-CG 3.28Å; D770-D774 PolarHBondContact O-N 3.22Å; D774-L778 VanDerWaalsContact O-CG 3.31Å; D774-L778 WeakPolarHBondContact O-CG 3.38Å; D774-L778 PolarHBondContact O-N 2.97Å; D774-L778 VanDerWaalsContact O-N 3.1Å
775	S	52.1	Low	49.3	Very low	73 Å²	73	84.7 Å²	84.7	51%	0.51	47%	0.465	S	S	.	.	H	α-helix	trans	-66.5	-45.6	171.3	-179.7	0	0	0	0	111.7	Q771 E772 V773 L778 A779	Q771-S775 WeakPolarHBondContact O-CB 3.44Å; Q771-S775 PolarHBondContact O-N 3.44Å; E772-S775 WeakPolarHBondContact O-CB 3.45Å; E772-S775 PolarHBondContact O-N 3.18Å; V773-S775 VanDerWaalsContact C-N 3.28Å; V773-S775 PolarHBondContact O-N 3.27Å; S775-L778 PolarHBondContact O-N 3.07Å; S775-A779 WeakPolarHBondContact O-CB 3.31Å; S775-A779 PolarHBondContact O-N 3.22Å
776	D	47.7	Very low	49.5	Very low	48 Å²	48	84.4 Å²	84.4	26%	0.257	47%	0.465	S	S	.	.	H	α-helix	trans	-64	-38.9	177.2	-109.9	26	0	0	0	111.9	S555 E772 V773 A779 F780	S555-D776 VanDerWaalsContact CB-OD2 3.23Å; S555-D776 WeakPolarHBondContact CB-OD2 3.44Å; S555-D776 PolarHBondContact OG-OD2 2.97Å; E772-D776 PolarHBondContact O-N 3.08Å; V773-D776 PolarHBondContact O-N 3.34Å; D776-A779 PolarHBondContact O-N 3.37Å; D776-F780 WeakPolarHBondContact O-CB 3.49Å; D776-F780 PolarHBondContact O-N 3.48Å
777	I	50.4	Low	49.7	Very low	54 Å²	54	82 Å²	82	28%	0.277	45%	0.445	S	S	.	.	H	α-helix	trans	-62.1	-45.9	174.8	-70.8	167.2	0	0	0	111	I765 T768 V773 F780 V781	I765-I777 HydrophobicContact CG2-CG2 4.47Å; T768-I777 HydrophobicContact CG2-CD1 4.22Å; V773-I777 HydrophobicContact CG1-CD1 3.87Å; V773-I777 HydrophobicContact CG1-CG1 4.48Å; V773-I777 WeakPolarHBondContact O-CG1 3.47Å; V773-I777 PolarHBondContact O-N 3.06Å; I777-F780 PolarHBondContact O-N 3.41Å; I777-V781 WeakPolarHBondContact O-CG2 3.37Å; I777-V781 PolarHBondContact O-N 3.26Å; I777-V781 VanDerWaalsContact O-N 3.11Å
778	L	53.2	Low	49.3	Very low	87 Å²	87	82.4 Å²	82.4	46%	0.455	45%	0.447	S	S	.	.	H	α-helix	trans	-66.1	-41.3	178.6	-73.9	168.1	0	0	0	112	D774 S775 V781 I782	D774-L778 VanDerWaalsContact O-CG 3.31Å; D774-L778 WeakPolarHBondContact O-CG 3.38Å; D774-L778 PolarHBondContact O-N 2.97Å; D774-L778 VanDerWaalsContact O-N 3.1Å; S775-L778 PolarHBondContact O-N 3.07Å; L778-V781 PolarHBondContact O-N 2.69Å; L778-I782 WeakPolarHBondContact O-CG1 3.44Å; L778-I782 PolarHBondContact O-N 2.76Å; L778-I782 VanDerWaalsContact O-N 3.13Å
779	A	51.8	Low	49	Very low	25 Å²	25	81.6 Å²	81.6	21%	0.207	45%	0.445	C	S	.	.	H	α-helix	trans	-60	-46.1	175.3	0	0	0	0	0	111.8	S775 D776 I782 A783	S775-A779 WeakPolarHBondContact O-CB 3.31Å; S775-A779 PolarHBondContact O-N 3.22Å; D776-A779 PolarHBondContact O-N 3.37Å; A779-I782 PolarHBondContact O-N 2.87Å; A779-A783 WeakPolarHBondContact O-CB 3.34Å; A779-A783 PolarHBondContact O-N 3.34Å
780	F	48.3	Very low	48.8	Very low	65 Å²	65	87 Å²	87	29%	0.285	44%	0.443	S	S	.	.	H	α-helix	trans	-59.4	-47.3	176.9	173.1	-112.5	0	0	0	112.9	E560 D776 I777 I782 A783 R784	E560-F780 WeakPolarHBondContact OE2-CE2 3.21Å; D776-F780 WeakPolarHBondContact O-CB 3.49Å; D776-F780 PolarHBondContact O-N 3.48Å; I777-F780 PolarHBondContact O-N 3.41Å; F780-I782 VanDerWaalsContact C-N 3.29Å; F780-I782 PolarHBondContact O-N 3.17Å; F780-A783 PolarHBondContact O-N 2.93Å; F780-R784 WeakPolarHBondContact O-CB 3.21Å; F780-R784 PolarHBondContact O-N 3.18Å
781	V	51.7	Low	48.4	Very low	52 Å²	52	88.7 Å²	88.7	32%	0.315	45%	0.451	S	S	.	.	H	α-helix	trans	-63.2	-35.3	179.6	171.2	0	0	0	0	112	I765 I777 L778 K785	I765-V781 HydrophobicContact CD1-CG2 4.07Å; I777-V781 WeakPolarHBondContact O-CG2 3.37Å; I777-V781 PolarHBondContact O-N 3.26Å; I777-V781 VanDerWaalsContact O-N 3.11Å; L778-V781 PolarHBondContact O-N 2.69Å; V781-K785 PolarHBondContact O-N 3.13Å
782	I	54.2	Low	48	Very low	74 Å²	74	83.1 Å²	83.1	38%	0.379	44%	0.441	S	S	.	.	H	α-helix	trans	-77.7	-42.3	178.9	-67.2	169.3	0	0	0	111.5	L778 A779 F780 R784 K785 N786	L778-I782 WeakPolarHBondContact O-CG1 3.44Å; L778-I782 PolarHBondContact O-N 2.76Å; L778-I782 VanDerWaalsContact O-N 3.13Å; A779-I782 PolarHBondContact O-N 2.87Å; F780-I782 VanDerWaalsContact C-N 3.29Å; F780-I782 PolarHBondContact O-N 3.17Å; I782-R784 VanDerWaalsContact C-N 3.3Å; I782-R784 PolarHBondContact O-N 3.33Å; I782-K785 WeakPolarHBondContact O-CB 3.27Å; I782-K785 PolarHBondContact O-N 2.91Å; I782-K785 VanDerWaalsContact O-N 3.11Å; I782-N786 PolarHBondContact O-N 3.05Å
783	A	48.3	Very low	47.7	Very low	50 Å²	50	80.4 Å²	80.4	41%	0.413	44%	0.439	S	S	.	.	H	α-helix	trans	-57.1	-44.8	173.9	0	0	0	0	0	111.4	A779 F780 K785 N786 L787	A779-A783 WeakPolarHBondContact O-CB 3.34Å; A779-A783 PolarHBondContact O-N 3.34Å; F780-A783 PolarHBondContact O-N 2.93Å; A783-K785 VanDerWaalsContact C-N 3.35Å; A783-K785 PolarHBondContact O-N 2.73Å; A783-N786 PolarHBondContact O-N 3.36Å; A783-L787 PolarHBondContact O-N 3.47Å
784	R	45	Very low	47.3	Very low	155 Å²	155	83.4 Å²	83.4	59%	0.585	46%	0.457	S	S	*	.	H	α-helix	trans	-62.2	-36.2	174.9	-174.6	171.9	172	177.7	-2.4	113.2	F780 I782 L788	F780-R784 WeakPolarHBondContact O-CB 3.21Å; F780-R784 PolarHBondContact O-N 3.18Å; I782-R784 VanDerWaalsContact C-N 3.3Å; I782-R784 PolarHBondContact O-N 3.33Å; R784-L788 WeakPolarHBondContact O-CG 3.37Å; R784-L788 PolarHBondContact O-N 3.5Å
785	K	49.8	Very low	46.7	Very low	114 Å²	114	85.9 Å²	85.9	50%	0.496	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-41.5	171.9	-92	-173.9	174.1	-177.9	0	112.5	V781 I782 A783 L787 L788 S789	V781-K785 PolarHBondContact O-N 3.13Å; I782-K785 WeakPolarHBondContact O-CB 3.27Å; I782-K785 PolarHBondContact O-N 2.91Å; I782-K785 VanDerWaalsContact O-N 3.11Å; A783-K785 VanDerWaalsContact C-N 3.35Å; A783-K785 PolarHBondContact O-N 2.73Å; K785-L787 VanDerWaalsContact C-N 3.33Å; K785-L788 PolarHBondContact O-N 3.1Å; K785-S789 PolarHBondContact O-N 3.31Å; K785-S789 PolarHBondContact O-OG 3.24Å
786	N	51.5	Low	46	Very low	88 Å²	88	90.8 Å²	90.8	47%	0.471	50%	0.501	S	S	.	.	H	α-helix	trans	-70.9	-27.3	179.3	-72	-15.5	0	0	0	113	I782 A783 S789 R790	I782-N786 PolarHBondContact O-N 3.05Å; A783-N786 PolarHBondContact O-N 3.36Å; N786-S789 PolarHBondContact O-OG 3.21Å; N786-S789 VanDerWaalsContact O-OG 3.14Å; N786-R790 WeakPolarHBondContact O-CG 3.46Å; N786-R790 PolarHBondContact O-N 3.39Å
787	L	46.8	Very low	45.2	Very low	67 Å²	67	100.1 Å²	100.1	35%	0.351	55%	0.551	S	S	.	*	H	α-helix	trans	-65.9	-49.7	167.4	-88.1	157.7	0	0	0	111.7	I564 A783 K785 S789 R790 I791	I564-L787 HydrophobicContact CD1-CD1 3.91Å; I564-L787 HydrophobicContact CD1-CD2 4.36Å; A783-L787 PolarHBondContact O-N 3.47Å; K785-L787 VanDerWaalsContact C-N 3.33Å; L787-S789 VanDerWaalsContact C-N 3.32Å; L787-S789 PolarHBondContact O-N 3.12Å; L787-R790 PolarHBondContact O-N 2.69Å; L787-I791 WeakPolarHBondContact O-CG1 3.3Å; L787-I791 PolarHBondContact O-N 2.96Å
788	L	42.8	Very low	45	Very low	115 Å²	115	102.4 Å²	102.4	60%	0.602	57%	0.565	S	S	*	*	H	α-helix	trans	-62.4	-36.6	-179.4	-71.4	168	0	0	0	112.7	R784 K785 G792	R784-L788 WeakPolarHBondContact O-CG 3.37Å; R784-L788 PolarHBondContact O-N 3.5Å; K785-L788 PolarHBondContact O-N 3.1Å; L788-G792 PolarHBondContact O-N 2.87Å
789	S	46.5	Very low	44.5	Very low	69 Å²	69	103.2 Å²	103.2	48%	0.483	57%	0.571	S	S	.	*	H	α-helix	trans	-71.1	-35.5	175	62.1	0	0	0	0	113.2	K785 N786 L787 C793	K785-S789 PolarHBondContact O-N 3.31Å; K785-S789 PolarHBondContact O-OG 3.24Å; N786-S789 PolarHBondContact O-OG 3.21Å; N786-S789 VanDerWaalsContact O-OG 3.14Å; L787-S789 VanDerWaalsContact C-N 3.32Å; L787-S789 PolarHBondContact O-N 3.12Å; S789-C793 PolarHBondContact O-SG 3.2Å
790	R	45.2	Very low	44.1	Very low	186 Å²	186	107.6 Å²	107.6	70%	0.702	59%	0.591	S	S	*	*	H	α-helix	trans	-67.9	-40.6	174.7	-77.9	-178.5	176.1	-169.8	1	112.8	N786 L787 G792 C793	N786-R790 WeakPolarHBondContact O-CG 3.46Å; N786-R790 PolarHBondContact O-N 3.39Å; L787-R790 PolarHBondContact O-N 2.69Å; R790-G792 VanDerWaalsContact C-N 3.27Å; R790-G792 PolarHBondContact O-N 3.14Å; R790-C793 PolarHBondContact O-N 2.83Å
791	I	43.8	Very low	43.9	Very low	120 Å²	120	110.1 Å²	110.1	62%	0.615	61%	0.609	S	S	*	*	H	α-helix	trans	-62.7	-35.8	178.2	-67.8	165	0	0	0	111.1	L787 C793 V794	L787-I791 WeakPolarHBondContact O-CG1 3.3Å; L787-I791 PolarHBondContact O-N 2.96Å; I791-C793 PolarHBondContact O-N 3.3Å; I791-V794 PolarHBondContact O-N 2.79Å
792	G	39	Very low	43.4	Very low	62 Å²	62	113.7 Å²	113.7	64%	0.639	63%	0.627	S	S	*	*	H	α-helix	trans	-63.3	-22.5	176.1	0	0	0	0	0	115.2	L788 R790	L788-G792 PolarHBondContact O-N 2.87Å; R790-G792 VanDerWaalsContact C-N 3.27Å; R790-G792 PolarHBondContact O-N 3.14Å
793	C	38.9	Very low	42.7	Very low	104 Å²	104	116.3 Å²	116.3	70%	0.703	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-3.7	-176.6	-66.2	0	0	0	0	114.8	S789 R790 I791	S789-C793 PolarHBondContact O-SG 3.2Å; R790-C793 PolarHBondContact O-N 2.83Å; I791-C793 PolarHBondContact O-N 3.3Å
794	V	38.6	Very low	42.3	Very low	128 Å²	128	121.1 Å²	121.1	78%	0.776	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-1.4	-179.5	-168.1	0	0	0	0	111.9	I791	I791-V794 PolarHBondContact O-N 2.79Å
795	G	36.4	Very low	42.1	Very low	68 Å²	68	118.5 Å²	118.5	70%	0.701	67%	0.666	S	S	*	*	S	Bend	trans	-91	-1.4	-178.3	0	0	0	0	0	116.5
796	Q	36.1	Very low	41.4	Very low	175 Å²	175	118.8 Å²	118.8	82%	0.818	68%	0.68	S	S	*	*			trans	-146.2	84.7	-180	-71.5	-169	-15.4	0	0	112.4
797	N	31.9	Very low	40.5	Very low	244 Å²	244	121.6 Å²	121.6	100%	1.305	70%	0.699	S	S	*	*			trans	-168	0	148.2	-92.7	-37.7	0	0	0	108.7

Retrieved 797 of 797 residues in 471.6 ms (Link to these results)

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