A0A077Z0V7_TRITR Loading...

NEDD8-activating enzyme E1 catalytic subunit

Catalytic subunit of the dimeric E1 enzyme, which activates NEDD8.

AlphaFold DB , UniProt , Accession A0A077Z0V7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 428 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	56.5	Low	81.7	Confident	208 Å²	208	105.9 Å²	105.9	100%	1.025	52%	0.515	S	S	*	.				0	-48.9	0	-87.5	-173.1	-89.2	0	0	113.9	R3 Q4	M1-R3 PolarHBondContact O-N 3.31Å; M1-Q4 WeakPolarHBondContact O-CB 3.22Å; M1-Q4 PolarHBondContact O-N 2.64Å
2	L	58.4	Low	82	Confident	186 Å²	186	97.2 Å²	97.2	97%	0.974	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-21.4	-174.4	-79.3	158.8	0	0	0	117.2
3	R	81.6	Confident	82.5	Confident	202 Å²	202	94.4 Å²	94.4	76%	0.762	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-3	-179.7	-64.7	-171.3	178.4	-176.8	1	115.1	M1 W5 M6	M1-R3 PolarHBondContact O-N 3.31Å; R3-W5 VanDerWaalsContact C-N 3.28Å; R3-W5 PolarHBondContact O-N 3.08Å; R3-M6 HydrophobicContact CB-CE 3.83Å; R3-M6 HydrophobicContact CG-CE 3.53Å; R3-M6 WeakPolarHBondContact O-CB 3.1Å; R3-M6 PolarHBondContact O-N 3.32Å; R3-M6 VanDerWaalsContact O-N 3.16Å
4	Q	84.5	Confident	82.8	Confident	89 Å²	89	95.7 Å²	95.7	42%	0.416	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-41.8	-168.8	-176.6	173.1	-4.8	0	0	112.6	M1	M1-Q4 WeakPolarHBondContact O-CB 3.22Å; M1-Q4 PolarHBondContact O-N 2.64Å
5	W	89.1	Confident	83	Confident	33 Å²	33	95.2 Å²	95.2	13%	0.125	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	19.4	-176.4	-52.6	125.5	0	0	0	113.8	R3 G7 V8 R9 I30 H34 L56 G58	R3-W5 VanDerWaalsContact C-N 3.28Å; R3-W5 PolarHBondContact O-N 3.08Å; W5-G7 VanDerWaalsContact C-N 3.25Å; W5-G7 PolarHBondContact O-N 2.71Å; W5-V8 HydrophobicContact CB-CB 4.4Å; W5-V8 HydrophobicContact CE3-CG2 4.26Å; W5-V8 PolarHBondContact O-N 3.07Å; W5-R9 HydrophobicContact CB-CG 4.22Å; W5-R9 WeakPolarHBondContact O-CB 3.3Å; W5-R9 VanDerWaalsContact O-CG 3.32Å; W5-R9 WeakPolarHBondContact O-CG 3.41Å; W5-R9 PolarHBondContact O-N 3.38Å; W5-I30 HydrophobicContact CB-CD1 4.25Å; W5-I30 HydrophobicContact CG-CD1 4.28Å; W5-H34 AromaticContact CD1-NE2 3.98Å; W5-H34 AromaticContact CE2-NE2 3.99Å; W5-H34 AromaticContact NE1-NE2 3.52Å; W5-L56 WeakPolarHBondContact CZ3-O 3.26Å; W5-G58 VanDerWaalsContact CZ3-CA 3.49Å
6	M	90.8	Very high	83.1	Confident	89 Å²	89	91.8 Å²	91.8	44%	0.438	47%	0.468	S	S	.	.	H	α-helix	trans	-59.1	-36	-174	-170	-170.8	-57.6	0	0	112.9	R3 K10	R3-M6 HydrophobicContact CB-CE 3.83Å; R3-M6 HydrophobicContact CG-CE 3.53Å; R3-M6 WeakPolarHBondContact O-CB 3.1Å; R3-M6 PolarHBondContact O-N 3.32Å; R3-M6 VanDerWaalsContact O-N 3.16Å; M6-K10 WeakPolarHBondContact O-CG 3.39Å; M6-K10 PolarHBondContact O-N 3.21Å
7	G	87.7	Confident	83.4	Confident	55 Å²	55	94.4 Å²	94.4	57%	0.567	49%	0.492	S	S	*	.	H	α-helix	trans	-67.1	-47.4	176	0	0	0	0	0	112.6	W5 K10	W5-G7 VanDerWaalsContact C-N 3.25Å; W5-G7 PolarHBondContact O-N 2.71Å; G7-K10 PolarHBondContact O-N 2.79Å
8	V	87.4	Confident	83.4	Confident	16 Å²	16	96 Å²	96	10%	0.097	50%	0.501	C	S	.	.	H	α-helix	trans	-63.4	-46.7	179	176.2	0	0	0	0	110.8	W5 K10 L11 L12 I30 Y329	W5-V8 HydrophobicContact CB-CB 4.4Å; W5-V8 HydrophobicContact CE3-CG2 4.26Å; W5-V8 PolarHBondContact O-N 3.07Å; V8-K10 VanDerWaalsContact C-N 3.31Å; V8-K10 PolarHBondContact O-N 2.73Å; V8-L11 WeakPolarHBondContact O-CB 3.32Å; V8-L11 PolarHBondContact O-N 3.09Å; V8-L12 HydrophobicContact CG1-CD1 3.94Å; V8-L12 PolarHBondContact O-N 3.33Å; V8-I30 HydrophobicContact CG1-CD1 3.66Å; V8-Y329 HydrophobicContact CG1-CE2 3.94Å; V8-Y329 WeakPolarHBondContact CG1-OH 3.38Å; V8-Y329 PolarHBondContact O-OH 3.44Å
9	R	88.5	Confident	83.3	Confident	90 Å²	90	92.1 Å²	92.1	34%	0.34	48%	0.483	S	S	.	.	H	α-helix	trans	-58.2	-37.7	178.8	-77.1	179.2	172.4	-108.5	2.5	113.2	W5 L11 L12 E13	W5-R9 HydrophobicContact CB-CG 4.22Å; W5-R9 WeakPolarHBondContact O-CB 3.3Å; W5-R9 VanDerWaalsContact O-CG 3.32Å; W5-R9 WeakPolarHBondContact O-CG 3.41Å; W5-R9 PolarHBondContact O-N 3.38Å; R9-L11 PolarHBondContact O-N 2.63Å; R9-L12 PolarHBondContact O-N 2.82Å; R9-E13 HydrophobicContact CB-CG 4.3Å; R9-E13 WeakPolarHBondContact CB-OE1 3.35Å; R9-E13 VanDerWaalsContact CD-OE1 3.27Å; R9-E13 WeakPolarHBondContact CD-OE1 3.42Å; R9-E13 VanDerWaalsContact CG-OE1 3.24Å; R9-E13 WeakPolarHBondContact CG-OE1 3.35Å; R9-E13 IonicContact CZ-OE1 3.4Å; R9-E13 IonicContact NE-OE1 3.44Å; R9-E13 IonicContact NH1-OE1 2.72Å; R9-E13 PolarHBondContact NH1-OE1 3.06Å; R9-E13 VanDerWaalsContact O-CB 3.27Å; R9-E13 WeakPolarHBondContact O-CB 3.41Å; R9-E13 WeakPolarHBondContact O-CG 3.45Å; R9-E13 PolarHBondContact O-N 3.01Å
10	K	88.7	Confident	83	Confident	130 Å²	130	89.5 Å²	89.5	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-59.7	-29.5	175.7	-75.3	175.2	-179.7	-175	0	113.1	M6 G7 V8 H14	M6-K10 WeakPolarHBondContact O-CG 3.39Å; M6-K10 PolarHBondContact O-N 3.21Å; G7-K10 PolarHBondContact O-N 2.79Å; V8-K10 VanDerWaalsContact C-N 3.31Å; V8-K10 PolarHBondContact O-N 2.73Å; K10-H14 PolarHBondContact O-CD2 3.35Å
11	L	85.7	Confident	82.9	Confident	67 Å²	67	91 Å²	91	35%	0.351	48%	0.484	S	S	.	.	H	α-helix	trans	-80.9	-29.3	176.3	-58.6	176.9	0	0	0	112	V8 R9 F23 Y329 C359	V8-L11 WeakPolarHBondContact O-CB 3.32Å; V8-L11 PolarHBondContact O-N 3.09Å; R9-L11 PolarHBondContact O-N 2.63Å; L11-F23 WeakPolarHBondContact O-CZ 3.26Å; L11-Y329 HydrophobicContact CB-CE1 4.04Å; L11-Y329 HydrophobicContact CD1-CD1 4.35Å; L11-Y329 HydrophobicContact CD1-CE1 3.85Å; L11-C359 HydrophobicContact CB-CB 4.16Å; L11-C359 VanDerWaalsContact O-CB 3.32Å; L11-C359 WeakPolarHBondContact O-CB 3.32Å
12	L	85.1	Confident	83.8	Confident	1 Å²	1	85.2 Å²	85.2	1%	0.005	45%	0.454	C	S	.	.	H	α-helix	trans	-94	-30.9	-173.2	-63.5	-178.8	0	0	0	114.5	V8 R9 P25 S26 N29 I30 I33 Y329	V8-L12 HydrophobicContact CG1-CD1 3.94Å; V8-L12 PolarHBondContact O-N 3.33Å; R9-L12 PolarHBondContact O-N 2.82Å; L12-P25 CarbonylContact O-C 3.57Å; L12-P25 VanDerWaalsContact O-CA 3.31Å; L12-P25 WeakPolarHBondContact O-CA 3.33Å; L12-S26 PolarHBondContact O-N 3.13Å; L12-N29 HydrophobicContact CB-CB 3.87Å; L12-N29 HydrophobicContact CD1-CB 4.11Å; L12-N29 HydrophobicContact CD2-CB 4.13Å; L12-N29 HydrophobicContact CG-CB 4.23Å; L12-N29 PolarHBondContact O-ND2 3.49Å; L12-N29 VanDerWaalsContact O-ND2 3.09Å; L12-I30 HydrophobicContact CD1-CB 4.23Å; L12-I30 HydrophobicContact CD1-CD1 4.01Å; L12-I33 HydrophobicContact CD1-CG1 3.99Å; L12-Y329 WeakPolarHBondContact CD1-OH 3.36Å; L12-Y329 HydrophobicContact CD2-CE1 4.04Å; L12-Y329 WeakPolarHBondContact CD2-OH 3.48Å; L12-Y329 WeakPolarHBondContact CG-OH 3.39Å
13	E	88	Confident	84.9	Confident	61 Å²	61	77.3 Å²	77.3	29%	0.285	41%	0.412	S	S	.	.	S	Bend	trans	-98	-11	-169.5	-64.4	178.9	-174.3	0	0	113.1	R9 A27	R9-E13 HydrophobicContact CB-CG 4.3Å; R9-E13 WeakPolarHBondContact CB-OE1 3.35Å; R9-E13 VanDerWaalsContact CD-OE1 3.27Å; R9-E13 WeakPolarHBondContact CD-OE1 3.42Å; R9-E13 VanDerWaalsContact CG-OE1 3.24Å; R9-E13 WeakPolarHBondContact CG-OE1 3.35Å; R9-E13 IonicContact CZ-OE1 3.4Å; R9-E13 IonicContact NE-OE1 3.44Å; R9-E13 IonicContact NH1-OE1 2.72Å; R9-E13 PolarHBondContact NH1-OE1 3.06Å; R9-E13 VanDerWaalsContact O-CB 3.27Å; R9-E13 WeakPolarHBondContact O-CB 3.41Å; R9-E13 WeakPolarHBondContact O-CG 3.45Å; R9-E13 PolarHBondContact O-N 3.01Å; E13-A27 HydrophobicContact CG-CB 4.37Å
14	H	87.2	Confident	85	Confident	113 Å²	113	72.2 Å²	72.2	52%	0.523	40%	0.403	S	S	.	.	S	Bend	trans	-120.4	142.5	-176	-59.5	-52.1	0	0	0	112.6	K10	K10-H14 PolarHBondContact O-CD2 3.35Å
15	A	85.8	Confident	85.1	Confident	88 Å²	88	70.2 Å²	70.2	73%	0.727	40%	0.398	S	S	*	.			trans	-67	147.5	171.3	0	0	0	0	0	110.8	P25	A15-P25 HydrophobicContact CB-CG 3.93Å
16	S	84.1	Confident	84.9	Confident	41 Å²	41	70.2 Å²	70.2	29%	0.287	40%	0.403	S	S	.	.			trans	-136.5	137.4	175.2	167.6	0	0	0	0	108.8	L18 A19 C359	S16-L18 PolarHBondContact O-N 2.83Å; S16-L18 PolarHBondContact OG-N 2.79Å; S16-L18 VanDerWaalsContact OG-N 3.14Å; S16-A19 VanDerWaalsContact O-CB 3.23Å; S16-A19 WeakPolarHBondContact O-CB 3.49Å; S16-A19 PolarHBondContact O-N 3.39Å; S16-C359 PolarHBondContact OG-O 2.84Å
17	P	88.1	Confident	84.8	Confident	135 Å²	135	68.6 Å²	68.6	88%	0.877	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-14.1	173.1	28.7	-34.9	0	0	0	112.8
18	L	84.6	Confident	84.7	Confident	124 Å²	124	73 Å²	73	65%	0.649	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-8	175.8	-57.2	177.3	0	0	0	112.6	S16 A360 L361	S16-L18 PolarHBondContact O-N 2.83Å; S16-L18 PolarHBondContact OG-N 2.79Å; S16-L18 VanDerWaalsContact OG-N 3.14Å; L18-A360 CarbonylContact O-C 3.55Å; L18-A360 VanDerWaalsContact O-CA 3.23Å; L18-A360 WeakPolarHBondContact O-CA 3.4Å; L18-L361 PolarHBondContact O-N 3.36Å
19	A	80.9	Confident	84.5	Confident	21 Å²	21	72.9 Å²	72.9	17%	0.174	41%	0.409	C	S	.	.	S	Bend	trans	-62.2	150.2	-178.3	0	0	0	0	0	111.4	S16 F23 S358 C359	S16-A19 VanDerWaalsContact O-CB 3.23Å; S16-A19 WeakPolarHBondContact O-CB 3.49Å; S16-A19 PolarHBondContact O-N 3.39Å; A19-F23 HydrophobicContact CB-CB 4.01Å; A19-F23 HydrophobicContact CB-CD1 3.64Å; A19-F23 HydrophobicContact CB-CG 4.17Å; A19-S358 CarbonylContact C-O 3.59Å; A19-S358 VanDerWaalsContact CA-O 3.25Å; A19-S358 WeakPolarHBondContact CA-O 3.33Å; A19-S358 WeakPolarHBondContact CB-O 3.36Å; A19-C359 PolarHBondContact N-O 3.11Å
20	H	78.2	Confident	84.4	Confident	41 Å²	41	68.7 Å²	68.7	19%	0.19	39%	0.393	C	S	.	.			trans	-58.7	143.8	171.4	-173.8	-92.4	0	0	0	109.8	E22 F23 W355 S358 L361	H20-E22 IonicContact CE1-OE2 3.36Å; H20-E22 PolarHBondContact CE1-OE2 3.34Å; H20-E22 PolarHBondContact ND1-N 2.91Å; H20-E22 IonicContact ND1-OE2 3.92Å; H20-E22 PolarHBondContact O-N 3.45Å; H20-F23 VanDerWaalsContact O-CB 3.22Å; H20-F23 WeakPolarHBondContact O-CB 3.44Å; H20-F23 PolarHBondContact O-N 3.05Å; H20-W355 AromaticContact CE1-CD1 3.43Å; H20-W355 VanDerWaalsContact CE1-CD1 3.43Å; H20-W355 AromaticContact CE1-NE1 3.64Å; H20-W355 AromaticContact ND1-CD1 3.65Å; H20-W355 AromaticContact NE2-NE1 3.92Å; H20-S358 VanDerWaalsContact CB-CB 3.41Å; H20-S358 VanDerWaalsContact CB-OG 3.25Å; H20-S358 WeakPolarHBondContact CB-OG 3.39Å; H20-S358 PolarHBondContact N-O 3.11Å; H20-L361 HydrophobicContact CB-CD2 4.34Å
21	P	79.4	Confident	84.2	Confident	121 Å²	121	68 Å²	68	79%	0.786	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.3	-175.9	-29	36	0	0	0	115.3
22	E	76.9	Confident	84	Confident	87 Å²	87	66.9 Å²	66.9	41%	0.407	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.7	179.6	-59.9	178.7	142.1	0	0	113.9	H20 V24 W355	H20-E22 IonicContact CE1-OE2 3.36Å; H20-E22 PolarHBondContact CE1-OE2 3.34Å; H20-E22 PolarHBondContact ND1-N 2.91Å; H20-E22 IonicContact ND1-OE2 3.92Å; H20-E22 PolarHBondContact O-N 3.45Å; E22-V24 PolarHBondContact O-N 3.49Å; E22-W355 VanDerWaalsContact OE2-CD1 3.23Å
23	F	80.1	Confident	84.1	Confident	19 Å²	19	66.8 Å²	66.8	8%	0.083	39%	0.385	C	S	.	.			trans	-71.8	127.7	178.8	-178.6	-117.7	0	0	0	111.2	L11 A19 H20 P25 S358	L11-F23 WeakPolarHBondContact O-CZ 3.26Å; A19-F23 HydrophobicContact CB-CB 4.01Å; A19-F23 HydrophobicContact CB-CD1 3.64Å; A19-F23 HydrophobicContact CB-CG 4.17Å; H20-F23 VanDerWaalsContact O-CB 3.22Å; H20-F23 WeakPolarHBondContact O-CB 3.44Å; H20-F23 PolarHBondContact O-N 3.05Å; F23-P25 HydrophobicContact CD1-CG 4.16Å; F23-P25 HydrophobicContact CE1-CB 4.2Å; F23-P25 HydrophobicContact CE1-CG 3.8Å; F23-S358 WeakPolarHBondContact CB-OG 3.31Å
24	V	84	Confident	84.1	Confident	95 Å²	95	64.9 Å²	64.9	58%	0.576	38%	0.377	S	S	*	.			trans	-115.6	111.9	173.7	-177.7	0	0	0	0	108.7	E22 S26 N29	E22-V24 PolarHBondContact O-N 3.49Å; V24-S26 PolarHBondContact O-N 3.47Å; V24-N29 PolarHBondContact O-ND2 3.25Å
25	P	86.1	Confident	84.2	Confident	47 Å²	47	62.6 Å²	62.6	31%	0.305	37%	0.373	S	S	.	.			trans	-63.4	128.9	176.8	-18.1	29.2	0	0	0	111.1	L12 A15 F23	L12-P25 CarbonylContact O-C 3.57Å; L12-P25 VanDerWaalsContact O-CA 3.31Å; L12-P25 WeakPolarHBondContact O-CA 3.33Å; A15-P25 HydrophobicContact CB-CG 3.93Å; F23-P25 HydrophobicContact CD1-CG 4.16Å; F23-P25 HydrophobicContact CE1-CB 4.2Å; F23-P25 HydrophobicContact CE1-CG 3.8Å
26	S	86.6	Confident	84.2	Confident	33 Å²	33	58.6 Å²	58.6	23%	0.231	34%	0.34	C	S	.	.			trans	-159.5	147.6	-180	-179.6	0	0	0	0	111.2	L12 V24 E28 N29	L12-S26 PolarHBondContact O-N 3.13Å; V24-S26 PolarHBondContact O-N 3.47Å; S26-E28 PolarHBondContact O-N 3.48Å; S26-E28 WeakPolarHBondContact OG-CB 3.36Å; S26-E28 PolarHBondContact OG-N 3.07Å; S26-E28 VanDerWaalsContact OG-N 3.08Å; S26-N29 PolarHBondContact N-ND2 2.85Å; S26-N29 WeakPolarHBondContact O-CB 3.46Å; S26-N29 PolarHBondContact O-N 3.13Å; S26-N29 PolarHBondContact O-ND2 3.26Å
27	A	87.1	Confident	84.4	Confident	56 Å²	56	60.4 Å²	60.4	46%	0.463	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.9	169.1	0	0	0	0	0	112.4	E13 N29 I30	E13-A27 HydrophobicContact CG-CB 4.37Å; A27-N29 VanDerWaalsContact C-N 3.27Å; A27-N29 PolarHBondContact O-N 2.87Å; A27-I30 VanDerWaalsContact O-CG2 3.26Å; A27-I30 WeakPolarHBondContact O-CG2 3.33Å
28	E	85.8	Confident	84.5	Confident	147 Å²	147	54 Å²	54	69%	0.687	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.9	179.2	-62.6	173.2	177	0	0	112.6	S26 I30 E31 L32	S26-E28 PolarHBondContact O-N 3.48Å; S26-E28 WeakPolarHBondContact OG-CB 3.36Å; S26-E28 PolarHBondContact OG-N 3.07Å; S26-E28 VanDerWaalsContact OG-N 3.08Å; E28-I30 PolarHBondContact O-N 3.44Å; E28-I30 VanDerWaalsContact O-N 3.1Å; E28-E31 PolarHBondContact O-N 3.34Å; E28-L32 PolarHBondContact O-N 3.31Å
29	N	84.1	Confident	84.9	Confident	13 Å²	13	48 Å²	48	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-26.2	179.5	-71.5	-19.9	0	0	0	112.4	L12 V24 S26 A27 L32 I33	L12-N29 HydrophobicContact CB-CB 3.87Å; L12-N29 HydrophobicContact CD1-CB 4.11Å; L12-N29 HydrophobicContact CD2-CB 4.13Å; L12-N29 HydrophobicContact CG-CB 4.23Å; L12-N29 PolarHBondContact O-ND2 3.49Å; L12-N29 VanDerWaalsContact O-ND2 3.09Å; V24-N29 PolarHBondContact O-ND2 3.25Å; S26-N29 PolarHBondContact N-ND2 2.85Å; S26-N29 WeakPolarHBondContact O-CB 3.46Å; S26-N29 PolarHBondContact O-N 3.13Å; S26-N29 PolarHBondContact O-ND2 3.26Å; A27-N29 VanDerWaalsContact C-N 3.27Å; A27-N29 PolarHBondContact O-N 2.87Å; N29-L32 WeakPolarHBondContact O-CB 3.37Å; N29-L32 PolarHBondContact O-N 2.84Å; N29-I33 WeakPolarHBondContact O-CG1 3.23Å; N29-I33 PolarHBondContact O-N 3.45Å; N29-I33 VanDerWaalsContact O-N 3.11Å
30	I	85.4	Confident	85.5	Confident	3 Å²	3	47 Å²	47	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-67.5	-36.1	176.8	-165.6	61.2	0	0	0	112.3	W5 V8 L12 A27 E28 L32 I33 H34	W5-I30 HydrophobicContact CB-CD1 4.25Å; W5-I30 HydrophobicContact CG-CD1 4.28Å; V8-I30 HydrophobicContact CG1-CD1 3.66Å; L12-I30 HydrophobicContact CD1-CB 4.23Å; L12-I30 HydrophobicContact CD1-CD1 4.01Å; A27-I30 VanDerWaalsContact O-CG2 3.26Å; A27-I30 WeakPolarHBondContact O-CG2 3.33Å; E28-I30 PolarHBondContact O-N 3.44Å; E28-I30 VanDerWaalsContact O-N 3.1Å; I30-L32 VanDerWaalsContact C-N 3.27Å; I30-L32 PolarHBondContact O-N 3.45Å; I30-I33 WeakPolarHBondContact O-CB 3.47Å; I30-I33 PolarHBondContact O-N 2.91Å; I30-H34 PolarHBondContact O-CD2 3.4Å; I30-H34 PolarHBondContact O-N 3.45Å
31	E	86	Confident	86.2	Confident	116 Å²	116	45.6 Å²	45.6	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-71.3	-29.7	177.9	-61.2	-54.5	158.3	0	0	111.2	E28 H34 S35	E28-E31 PolarHBondContact O-N 3.34Å; E31-H34 PolarHBondContact O-N 2.87Å; E31-H34 IonicContact OE1-ND1 3.45Å; E31-H34 IonicContact OE2-CE1 3.23Å; E31-H34 IonicContact OE2-CG 3.34Å; E31-H34 IonicContact OE2-ND1 2.7Å; E31-H34 PolarHBondContact OE2-ND1 2.97Å; E31-S35 WeakPolarHBondContact O-CB 3.2Å; E31-S35 PolarHBondContact O-N 3.41Å; E31-S35 PolarHBondContact O-OG 3.27Å
32	L	81.5	Confident	86.8	Confident	42 Å²	42	40.2 Å²	40.2	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-46.4	171.4	-63.3	168.2	0	0	0	110.7	E28 N29 I30 H34 S35 C36 Y356	E28-L32 PolarHBondContact O-N 3.31Å; N29-L32 WeakPolarHBondContact O-CB 3.37Å; N29-L32 PolarHBondContact O-N 2.84Å; I30-L32 VanDerWaalsContact C-N 3.27Å; I30-L32 PolarHBondContact O-N 3.45Å; L32-H34 PolarHBondContact O-N 2.97Å; L32-S35 PolarHBondContact O-N 3.37Å; L32-S35 PolarHBondContact O-OG 3.38Å; L32-C36 PolarHBondContact O-N 2.93Å; L32-C36 VanDerWaalsContact O-N 3.09Å; L32-C36 PolarHBondContact O-SG 3.28Å; L32-Y356 HydrophobicContact CB-CD2 4.14Å; L32-Y356 HydrophobicContact CB-CE2 4.12Å; L32-Y356 HydrophobicContact CB-CG 4.27Å; L32-Y356 HydrophobicContact CD1-CD1 3.34Å; L32-Y356 HydrophobicContact CD1-CD2 4.32Å; L32-Y356 HydrophobicContact CD1-CE1 3.14Å; L32-Y356 HydrophobicContact CD1-CE2 4.1Å; L32-Y356 HydrophobicContact CD1-CG 3.89Å; L32-Y356 VanDerWaalsContact CD1-CZ 3.45Å; L32-Y356 HydrophobicContact CD2-CE1 4.1Å; L32-Y356 HydrophobicContact CD2-CE2 3.9Å; L32-Y356 VanDerWaalsContact CD2-CZ 3.48Å; L32-Y356 VanDerWaalsContact CD2-OH 3.25Å; L32-Y356 WeakPolarHBondContact CD2-OH 3.21Å; L32-Y356 HydrophobicContact CG-CD1 4.4Å; L32-Y356 HydrophobicContact CG-CE1 4.09Å; L32-Y356 HydrophobicContact CG-CE2 4.25Å
33	I	85.5	Confident	87.6	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-46	172.6	-64.9	-64.9	0	0	0	111.4	L12 N29 I30 S35 C36 F59 Y329 V332	L12-I33 HydrophobicContact CD1-CG1 3.99Å; N29-I33 WeakPolarHBondContact O-CG1 3.23Å; N29-I33 PolarHBondContact O-N 3.45Å; N29-I33 VanDerWaalsContact O-N 3.11Å; I30-I33 WeakPolarHBondContact O-CB 3.47Å; I30-I33 PolarHBondContact O-N 2.91Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 3.16Å; I33-C36 PolarHBondContact O-N 3.32Å; I33-F59 HydrophobicContact CB-CE1 4.36Å; I33-F59 HydrophobicContact CD1-CE1 3.79Å; I33-F59 HydrophobicContact CD1-CZ 3.74Å; I33-F59 HydrophobicContact CG2-CD1 3.81Å; I33-F59 HydrophobicContact CG2-CD2 4.48Å; I33-F59 HydrophobicContact CG2-CE1 3.71Å; I33-F59 HydrophobicContact CG2-CE2 4.38Å; I33-F59 HydrophobicContact CG2-CG 4.21Å; I33-F59 HydrophobicContact CG2-CZ 3.98Å; I33-F59 VanDerWaalsContact O-CD1 3.3Å; I33-F59 WeakPolarHBondContact O-CD1 3.45Å; I33-Y329 HydrophobicContact CD1-CD2 4.4Å; I33-Y329 HydrophobicContact CD1-CE2 4.03Å; I33-Y329 HydrophobicContact CG1-CE2 4.42Å; I33-V332 HydrophobicContact CD1-CB 4.22Å; I33-V332 HydrophobicContact CD1-CG1 4.16Å; I33-V332 HydrophobicContact CD1-CG2 3.74Å
34	H	89.5	Confident	88.2	Confident	21 Å²	21	35.8 Å²	35.8	10%	0.097	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-42	177.6	-66.1	169	0	0	0	112.1	W5 I30 E31 L32 C36 G58 Q60 N61	W5-H34 AromaticContact CD1-NE2 3.98Å; W5-H34 AromaticContact CE2-NE2 3.99Å; W5-H34 AromaticContact NE1-NE2 3.52Å; I30-H34 PolarHBondContact O-CD2 3.4Å; I30-H34 PolarHBondContact O-N 3.45Å; E31-H34 PolarHBondContact O-N 2.87Å; E31-H34 IonicContact OE1-ND1 3.45Å; E31-H34 IonicContact OE2-CE1 3.23Å; E31-H34 IonicContact OE2-CG 3.34Å; E31-H34 IonicContact OE2-ND1 2.7Å; E31-H34 PolarHBondContact OE2-ND1 2.97Å; L32-H34 PolarHBondContact O-N 2.97Å; H34-C36 VanDerWaalsContact C-N 3.33Å; H34-C36 PolarHBondContact O-N 3.15Å; H34-G58 PolarHBondContact CD2-O 3.5Å; H34-Q60 HydrophobicContact CB-CG 4.27Å; H34-Q60 PolarHBondContact CD2-NE2 3.46Å; H34-Q60 VanDerWaalsContact CD2-NE2 3.28Å; H34-Q60 PolarHBondContact CE1-NE2 2.93Å; H34-Q60 VanDerWaalsContact CG-NE2 3.34Å; H34-Q60 PolarHBondContact NE2-NE2 3.01Å; H34-N61 PolarHBondContact O-ND2 3.08Å; H34-N61 VanDerWaalsContact O-ND2 3.16Å
35	S	87.7	Confident	88.5	Confident	65 Å²	65	31.6 Å²	31.6	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-73.7	-21.3	-177.7	73.2	0	0	0	0	113.9	E31 L32 I33 K37 N61	E31-S35 WeakPolarHBondContact O-CB 3.2Å; E31-S35 PolarHBondContact O-N 3.41Å; E31-S35 PolarHBondContact O-OG 3.27Å; L32-S35 PolarHBondContact O-N 3.37Å; L32-S35 PolarHBondContact O-OG 3.38Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 3.16Å; S35-K37 PolarHBondContact O-N 3.32Å; S35-N61 PolarHBondContact O-ND2 3.32Å; S35-N61 VanDerWaalsContact O-ND2 3.15Å
36	C	86.9	Confident	88.9	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.02	17%	0.168	C	C	.	.			trans	-62.8	128.1	-176.2	-79.3	0	0	0	0	112.5	L32 I33 H34 F59 N61 V332	L32-C36 PolarHBondContact O-N 2.93Å; L32-C36 VanDerWaalsContact O-N 3.09Å; L32-C36 PolarHBondContact O-SG 3.28Å; I33-C36 PolarHBondContact O-N 3.32Å; H34-C36 VanDerWaalsContact C-N 3.33Å; H34-C36 PolarHBondContact O-N 3.15Å; C36-F59 HydrophobicContact CB-CD1 4.01Å; C36-F59 HydrophobicContact CB-CE1 4.05Å; C36-N61 WeakPolarHBondContact O-CB 3.47Å; C36-V332 HydrophobicContact CB-CG1 4.38Å; C36-V332 WeakPolarHBondContact SG-CG1 3.32Å
37	K	88.4	Confident	89.3	Confident	79 Å²	79	28 Å²	28	34%	0.343	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.7	176.2	-65.4	179.9	-178.2	172.3	0	110.6	S35 N61 L140 F142 N143	S35-K37 PolarHBondContact O-N 3.32Å; K37-N61 WeakPolarHBondContact CA-O 3.33Å; K37-N61 HydrophobicContact CG-CB 4.13Å; K37-L140 WeakPolarHBondContact CD-O 3.18Å; K37-L140 PolarHBondContact NZ-O 3.34Å; K37-F142 HydrophobicContact CB-CD1 4.06Å; K37-N143 PolarHBondContact N-OD1 2.69Å; K37-N143 PolarHBondContact O-N 2.86Å
38	I	90.4	Very high	89.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.2	-177	-55.9	-179	0	0	0	109.8	V40 L54 F59 N61 I62 H63 V144 V146 Y328	I38-V40 HydrophobicContact CG2-CG2 4.27Å; I38-L54 HydrophobicContact CD1-CD1 4.41Å; I38-L54 HydrophobicContact CD1-CD2 3.75Å; I38-L54 HydrophobicContact CG2-CD1 3.93Å; I38-F59 HydrophobicContact CD1-CB 3.72Å; I38-F59 HydrophobicContact CD1-CD1 3.44Å; I38-F59 VanDerWaalsContact CD1-CD1 3.44Å; I38-F59 HydrophobicContact CD1-CD2 3.91Å; I38-F59 HydrophobicContact CD1-CE1 4Å; I38-F59 HydrophobicContact CD1-CE2 4.44Å; I38-F59 HydrophobicContact CD1-CG 3.38Å; I38-F59 HydrophobicContact CD1-CZ 4.49Å; I38-F59 HydrophobicContact CG1-CD1 4.34Å; I38-N61 PolarHBondContact N-O 3.23Å; I38-I62 CarbonylContact O-C 3.45Å; I38-H63 PolarHBondContact O-N 2.84Å; I38-V144 HydrophobicContact CB-CG1 4.18Å; I38-V144 HydrophobicContact CD1-CG1 4.35Å; I38-V144 HydrophobicContact CG1-CG1 3.75Å; I38-V144 HydrophobicContact CG2-CG1 3.95Å; I38-V146 HydrophobicContact CG2-CG2 4.22Å; I38-Y328 HydrophobicContact CD1-CD1 4.25Å; I38-Y328 HydrophobicContact CD1-CE1 3.27Å; I38-Y328 WeakPolarHBondContact CD1-OH 3.36Å; I38-Y328 HydrophobicContact CG1-CE1 4.14Å
39	L	92.1	Very high	90.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.9	166.1	-178.5	61.7	0	0	0	110.4	I41 H63 I65 I110 I133 F142 V144 I145 V146	L39-I41 HydrophobicContact CD2-CD1 4.23Å; L39-I41 HydrophobicContact CD2-CG1 4.1Å; L39-I41 HydrophobicContact CG-CG1 4.01Å; L39-H63 HydrophobicContact CD1-CB 3.79Å; L39-I65 HydrophobicContact CD1-CD1 3.72Å; L39-I65 HydrophobicContact CD1-CG1 3.95Å; L39-I65 HydrophobicContact CD2-CD1 4.1Å; L39-I65 HydrophobicContact CG-CD1 4.41Å; L39-I110 HydrophobicContact CD1-CD1 4.41Å; L39-I133 HydrophobicContact CD2-CG2 4.38Å; L39-F142 HydrophobicContact CB-CD1 3.81Å; L39-F142 HydrophobicContact CB-CD2 3.96Å; L39-F142 HydrophobicContact CB-CE1 3.84Å; L39-F142 HydrophobicContact CB-CE2 3.98Å; L39-F142 HydrophobicContact CB-CG 3.87Å; L39-F142 HydrophobicContact CB-CZ 3.91Å; L39-F142 HydrophobicContact CD1-CE1 4.47Å; L39-F142 HydrophobicContact CD1-CE2 4.3Å; L39-F142 HydrophobicContact CD1-CZ 3.97Å; L39-F142 HydrophobicContact CD2-CD2 4.21Å; L39-F142 HydrophobicContact CD2-CE2 3.97Å; L39-F142 HydrophobicContact CD2-CZ 4.46Å; L39-F142 HydrophobicContact CG-CE2 4.31Å; L39-F142 HydrophobicContact CG-CZ 4.33Å; L39-V144 PolarHBondContact N-O 3.18Å; L39-V144 VanDerWaalsContact N-O 3.11Å; L39-I145 HydrophobicContact CB-CG1 4.21Å; L39-I145 HydrophobicContact CB-CG2 4.49Å; L39-I145 HydrophobicContact CD2-CD1 4.17Å; L39-I145 HydrophobicContact CD2-CG1 4.37Å; L39-I145 HydrophobicContact CD2-CG2 4.45Å; L39-I145 CarbonylContact O-C 3.55Å; L39-I145 WeakPolarHBondContact O-CA 3.46Å; L39-V146 PolarHBondContact O-N 3Å
40	V	93.9	Very high	91	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.7	168.5	-177.9	0	0	0	0	108.7	I38 L50 L51 L54 I62 H63 V64 I65 V146	I38-V40 HydrophobicContact CG2-CG2 4.27Å; V40-L50 HydrophobicContact CG1-CB 4.4Å; V40-L50 HydrophobicContact CG1-CD1 4.37Å; V40-L51 HydrophobicContact CB-CD2 4.3Å; V40-L51 HydrophobicContact CG1-CG 4.5Å; V40-L51 HydrophobicContact CG2-CD2 4.05Å; V40-L54 HydrophobicContact CG2-CD1 3.58Å; V40-I62 HydrophobicContact CG2-CG2 3.95Å; V40-H63 PolarHBondContact N-O 3.26Å; V40-V64 HydrophobicContact CB-CG2 4.47Å; V40-V64 WeakPolarHBondContact O-CA 3.39Å; V40-I65 PolarHBondContact O-N 2.97Å; V40-V146 CarbonylContact C-O 3.48Å; V40-V146 VanDerWaalsContact CA-O 3.32Å; V40-V146 WeakPolarHBondContact CA-O 3.35Å
41	I	92.3	Very high	91.6	Very high	10 Å²	10	18.5 Å²	18.5	5%	0.051	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.1	176.8	-52.7	179.5	0	0	0	109.1	L39 I133 I145 V146 G148 L149 I158	L39-I41 HydrophobicContact CD2-CD1 4.23Å; L39-I41 HydrophobicContact CD2-CG1 4.1Å; L39-I41 HydrophobicContact CG-CG1 4.01Å; I41-I133 HydrophobicContact CD1-CD1 4.28Å; I41-I145 HydrophobicContact CD1-CG2 3.49Å; I41-I145 VanDerWaalsContact CD1-CG2 3.49Å; I41-I145 HydrophobicContact CG1-CG2 3.86Å; I41-V146 PolarHBondContact N-O 3.08Å; I41-G148 PolarHBondContact O-N 2.77Å; I41-L149 HydrophobicContact CG2-CD1 4.21Å; I41-L149 HydrophobicContact CG2-CD2 3.61Å; I41-L149 HydrophobicContact CG2-CG 3.97Å; I41-I158 HydrophobicContact CD1-CB 4.41Å; I41-I158 HydrophobicContact CD1-CD1 3.61Å; I41-I158 HydrophobicContact CD1-CG1 3.69Å
42	G	91.9	Very high	92.1	Very high	8 Å²	8	15.8 Å²	15.8	8%	0.082	9%	0.088	C	C	.	.			trans	92.5	127.5	-171.2	0	0	0	0	0	111.5	G47 I65	G42-G47 WeakPolarHBondContact O-CA 3.33Å; G42-I65 WeakPolarHBondContact CA-O 3.32Å; G42-I65 PolarHBondContact N-O 3.17Å
43	A	94.1	Very high	92.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.			trans	-109.9	18.2	173.3	0	0	0	0	0	111.7	C48 V64 D66 F81 K90 A94	A43-C48 PolarHBondContact O-SG 2.97Å; A43-C48 VanDerWaalsContact O-SG 3.34Å; A43-V64 HydrophobicContact CB-CG2 3.97Å; A43-D66 WeakPolarHBondContact CA-OD2 3.34Å; A43-D66 HydrophobicContact CB-CB 3.65Å; A43-D66 PolarHBondContact N-OD2 2.97Å; A43-F81 WeakPolarHBondContact O-CZ 3.36Å; A43-K90 HydrophobicContact CB-CB 4.03Å; A43-A94 HydrophobicContact CB-CB 4.19Å
44	G	92.2	Very high	93.2	Very high	13 Å²	13	15 Å²	15	13%	0.134	9%	0.085	C	C	.	.	S	Bend	trans	-68.9	-155.5	172.5	0	0	0	0	0	113.6	L46 G47 C48	G44-L46 PolarHBondContact O-N 2.74Å; G44-G47 PolarHBondContact O-N 3.01Å; G44-C48 WeakPolarHBondContact O-CB 3.4Å; G44-C48 PolarHBondContact O-N 3.26Å; G44-C48 PolarHBondContact O-SG 3.01Å; G44-C48 VanDerWaalsContact O-SG 3.34Å
45	G	91.7	Very high	93.5	Very high	8 Å²	8	14.1 Å²	14.1	8%	0.082	8%	0.08	C	C	.	.	H	α-helix	trans	-54.6	-52.6	-176.8	0	0	0	0	0	112.7	E49 N317	G45-E49 PolarHBondContact O-N 3.4Å; G45-N317 VanDerWaalsContact C-OD1 3.26Å
46	L	93.9	Very high	93.8	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-68	-40.9	178.6	-168.6	64.5	0	0	0	111.6	G44 C48 E49 L50 G148 V187 N317 V320 A321	G44-L46 PolarHBondContact O-N 2.74Å; L46-C48 PolarHBondContact O-N 3.02Å; L46-E49 PolarHBondContact O-N 2.93Å; L46-L50 HydrophobicContact CG-CD1 4.22Å; L46-L50 HydrophobicContact CG-CG 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 2.86Å; L46-G148 VanDerWaalsContact CD2-CA 3.48Å; L46-V187 HydrophobicContact CD1-CG1 4.44Å; L46-N317 WeakPolarHBondContact CD1-O 2.85Å; L46-N317 PolarHBondContact N-OD1 2.81Å; L46-V320 HydrophobicContact CD1-CB 3.83Å; L46-V320 HydrophobicContact CD1-CG1 3.73Å; L46-V320 HydrophobicContact CD2-CG1 4.2Å; L46-A321 HydrophobicContact CD1-CB 3.78Å
47	G	95.9	Very high	93.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-43.7	176.3	0	0	0	0	0	114.2	G42 G44 E49 L50 L51	G42-G47 WeakPolarHBondContact O-CA 3.33Å; G44-G47 PolarHBondContact O-N 3.01Å; G47-E49 PolarHBondContact O-N 3.49Å; G47-L50 PolarHBondContact O-N 3.44Å; G47-L51 WeakPolarHBondContact O-CB 2.77Å; G47-L51 VanDerWaalsContact O-CG 3.28Å; G47-L51 WeakPolarHBondContact O-CG 3.36Å; G47-L51 PolarHBondContact O-N 3.32Å
48	C	97.2	Very high	94	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.9	-44.7	175.9	-75.4	0	0	0	0	112	A43 G44 L46 K52 F79 L80	A43-C48 PolarHBondContact O-SG 2.97Å; A43-C48 VanDerWaalsContact O-SG 3.34Å; G44-C48 WeakPolarHBondContact O-CB 3.4Å; G44-C48 PolarHBondContact O-N 3.26Å; G44-C48 PolarHBondContact O-SG 3.01Å; G44-C48 VanDerWaalsContact O-SG 3.34Å; L46-C48 PolarHBondContact O-N 3.02Å; C48-K52 PolarHBondContact O-N 3.47Å; C48-F79 HydrophobicContact CB-CD1 4.35Å; C48-F79 HydrophobicContact CB-CE1 3.96Å; C48-F79 HydrophobicContact CB-CZ 4.38Å; C48-F79 WeakPolarHBondContact O-CZ 3.36Å; C48-L80 HydrophobicContact CB-CD1 3.97Å; C48-L80 HydrophobicContact CB-CG 3.98Å
49	E	97.6	Very high	94	Very high	19 Å²	19	13.2 Å²	13.2	9%	0.089	8%	0.076	C	C	.	.	H	α-helix	trans	-65.7	-46.5	176.7	-73	-71.2	171.4	0	0	111.4	G45 L46 G47 L51 K52 D53 F79 N317 A318 A321	G45-E49 PolarHBondContact O-N 3.4Å; L46-E49 PolarHBondContact O-N 2.93Å; G47-E49 PolarHBondContact O-N 3.49Å; E49-L51 PolarHBondContact O-N 3.45Å; E49-K52 WeakPolarHBondContact O-CB 3.23Å; E49-K52 PolarHBondContact O-N 3.4Å; E49-K52 WeakPolarHBondContact OE2-CE 3.23Å; E49-K52 IonicContact OE2-NZ 2.82Å; E49-K52 PolarHBondContact OE2-NZ 3.08Å; E49-D53 WeakPolarHBondContact O-CB 3.16Å; E49-D53 VanDerWaalsContact O-CG 3.23Å; E49-D53 PolarHBondContact O-N 3.01Å; E49-F79 HydrophobicContact CG-CE1 3.96Å; E49-F79 WeakPolarHBondContact OE1-CE1 3.42Å; E49-N317 HydrophobicContact CG-CB 4.24Å; E49-A318 HydrophobicContact CG-CB 4.35Å; E49-A321 HydrophobicContact CB-CB 3.3Å; E49-A321 HydrophobicContact CG-CB 4.39Å
50	L	96.9	Very high	94.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.4	-46.7	176.8	-75	172.9	0	0	0	112.3	V40 L46 G47 K52 D53 L54 V146 A321 Q324	V40-L50 HydrophobicContact CG1-CB 4.4Å; V40-L50 HydrophobicContact CG1-CD1 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.22Å; L46-L50 HydrophobicContact CG-CG 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 2.86Å; G47-L50 PolarHBondContact O-N 3.44Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 2.91Å; L50-D53 PolarHBondContact O-N 2.89Å; L50-L54 VanDerWaalsContact O-CB 3.29Å; L50-L54 WeakPolarHBondContact O-CB 3.37Å; L50-L54 WeakPolarHBondContact O-CD1 3.41Å; L50-L54 WeakPolarHBondContact O-CG 3.44Å; L50-L54 PolarHBondContact O-N 3.44Å; L50-V146 HydrophobicContact CD1-CB 4.49Å; L50-V146 HydrophobicContact CD1-CG1 3.65Å; L50-V146 HydrophobicContact CD2-CG1 3.66Å; L50-V146 HydrophobicContact CG-CG1 4.25Å; L50-A321 HydrophobicContact CD2-CB 4Å; L50-A321 HydrophobicContact CG-CB 4.06Å; L50-Q324 HydrophobicContact CD2-CB 3.79Å
51	L	97.6	Very high	94	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-43.3	178.5	-75.3	172	0	0	0	112.2	V40 G47 E49 A55 I62 V64 L80 A94 I98 V107	V40-L51 HydrophobicContact CB-CD2 4.3Å; V40-L51 HydrophobicContact CG1-CG 4.5Å; V40-L51 HydrophobicContact CG2-CD2 4.05Å; G47-L51 WeakPolarHBondContact O-CB 2.77Å; G47-L51 VanDerWaalsContact O-CG 3.28Å; G47-L51 WeakPolarHBondContact O-CG 3.36Å; G47-L51 PolarHBondContact O-N 3.32Å; E49-L51 PolarHBondContact O-N 3.45Å; L51-A55 VanDerWaalsContact O-CB 3.22Å; L51-A55 WeakPolarHBondContact O-CB 3.11Å; L51-A55 PolarHBondContact O-N 3.48Å; L51-A55 VanDerWaalsContact O-N 3.12Å; L51-I62 HydrophobicContact CD2-CG2 3.78Å; L51-V64 HydrophobicContact CD1-CG2 4.18Å; L51-V64 HydrophobicContact CD2-CB 4.21Å; L51-V64 HydrophobicContact CD2-CG2 4.48Å; L51-L80 HydrophobicContact CB-CD1 4.36Å; L51-L80 HydrophobicContact CD1-CD1 3.97Å; L51-A94 HydrophobicContact CD1-CB 3.71Å; L51-I98 HydrophobicContact CB-CD1 3.94Å; L51-I98 HydrophobicContact CB-CG1 3.94Å; L51-V107 HydrophobicContact CD2-CG1 4.2Å
52	K	97.2	Very high	94.1	Very high	58 Å²	58	17.8 Å²	17.8	25%	0.252	10%	0.099	S	C	.	.	H	α-helix	trans	-61.1	-50.8	174.3	168.4	-175.9	56.1	68.9	0	110.6	C48 E49 L50 A55 L56 F79 I98	C48-K52 PolarHBondContact O-N 3.47Å; E49-K52 WeakPolarHBondContact O-CB 3.23Å; E49-K52 PolarHBondContact O-N 3.4Å; E49-K52 WeakPolarHBondContact OE2-CE 3.23Å; E49-K52 IonicContact OE2-NZ 2.82Å; E49-K52 PolarHBondContact OE2-NZ 3.08Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 2.91Å; K52-A55 PolarHBondContact O-N 2.55Å; K52-L56 HydrophobicContact CD-CD1 4.45Å; K52-L56 HydrophobicContact CG-CD1 3.79Å; K52-L56 HydrophobicContact CG-CG 4.49Å; K52-L56 WeakPolarHBondContact O-CB 3.29Å; K52-L56 VanDerWaalsContact O-CG 3.31Å; K52-L56 WeakPolarHBondContact O-CG 3.4Å; K52-L56 PolarHBondContact O-N 3.22Å; K52-F79 HydrophobicContact CB-CE2 4.35Å; K52-F79 HydrophobicContact CB-CZ 3.84Å; K52-F79 HydrophobicContact CD-CE2 4.13Å; K52-F79 HydrophobicContact CD-CZ 3.83Å; K52-F79 HydrophobicContact CG-CZ 4.41Å; K52-I98 HydrophobicContact CB-CD1 4.44Å
53	D	95.6	Very high	94.2	Very high	27 Å²	27	18.8 Å²	18.8	14%	0.144	10%	0.101	C	C	.	.	H	α-helix	trans	-63.7	-49	-173.7	-69	-17.9	0	0	0	110.7	E49 L50 A55 L56 S57 G322 T325	E49-D53 WeakPolarHBondContact O-CB 3.16Å; E49-D53 VanDerWaalsContact O-CG 3.23Å; E49-D53 PolarHBondContact O-N 3.01Å; L50-D53 PolarHBondContact O-N 2.89Å; D53-A55 PolarHBondContact O-N 3.39Å; D53-L56 CarbonylContact O-C 3.5Å; D53-L56 PolarHBondContact O-N 2.9Å; D53-S57 WeakPolarHBondContact O-CB 3.38Å; D53-S57 PolarHBondContact O-N 3.45Å; D53-S57 PolarHBondContact O-OG 3.43Å; D53-S57 VanDerWaalsContact O-OG 3.07Å; D53-G322 WeakPolarHBondContact OD2-CA 3.47Å; D53-G322 PolarHBondContact OD2-N 3.17Å; D53-T325 HydrophobicContact CB-CG2 3.79Å; D53-T325 VanDerWaalsContact CB-OG1 3.23Å; D53-T325 WeakPolarHBondContact CB-OG1 3.06Å
54	L	94.2	Very high	94.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-47.4	177.1	-69.3	169.4	0	0	0	112	I38 V40 L50 L56 S57 G58 F59 I62 T325 Y328	I38-L54 HydrophobicContact CD1-CD1 4.41Å; I38-L54 HydrophobicContact CD1-CD2 3.75Å; I38-L54 HydrophobicContact CG2-CD1 3.93Å; V40-L54 HydrophobicContact CG2-CD1 3.58Å; L50-L54 VanDerWaalsContact O-CB 3.29Å; L50-L54 WeakPolarHBondContact O-CB 3.37Å; L50-L54 WeakPolarHBondContact O-CD1 3.41Å; L50-L54 WeakPolarHBondContact O-CG 3.44Å; L50-L54 PolarHBondContact O-N 3.44Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 PolarHBondContact O-N 2.65Å; L54-S57 PolarHBondContact O-N 2.82Å; L54-S57 VanDerWaalsContact O-N 3.16Å; L54-G58 PolarHBondContact O-N 2.89Å; L54-F59 HydrophobicContact CB-CD2 4.27Å; L54-F59 HydrophobicContact CD2-CD2 3.81Å; L54-F59 HydrophobicContact CD2-CE2 4.13Å; L54-F59 WeakPolarHBondContact O-CB 3.27Å; L54-F59 WeakPolarHBondContact O-CD2 3.26Å; L54-F59 PolarHBondContact O-N 3.09Å; L54-F59 VanDerWaalsContact O-N 3.15Å; L54-I62 HydrophobicContact CB-CD1 3.73Å; L54-T325 HydrophobicContact CD2-CG2 4.02Å; L54-T325 HydrophobicContact CG-CG2 4.42Å; L54-Y328 HydrophobicContact CD2-CD1 3.68Å; L54-Y328 HydrophobicContact CD2-CE1 3.92Å
55	A	95.2	Very high	94.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-38.9	179	0	0	0	0	0	112.1	L51 K52 D53 S57 G58 I62 I98 V102 C105	L51-A55 VanDerWaalsContact O-CB 3.22Å; L51-A55 WeakPolarHBondContact O-CB 3.11Å; L51-A55 PolarHBondContact O-N 3.48Å; L51-A55 VanDerWaalsContact O-N 3.12Å; K52-A55 PolarHBondContact O-N 2.55Å; D53-A55 PolarHBondContact O-N 3.39Å; A55-S57 VanDerWaalsContact C-N 3.33Å; A55-G58 PolarHBondContact O-N 2.81Å; A55-I62 HydrophobicContact CB-CD1 4.46Å; A55-I98 HydrophobicContact CB-CG2 3.74Å; A55-V102 HydrophobicContact CB-CB 4.24Å; A55-V102 HydrophobicContact CB-CG1 4.18Å; A55-V102 HydrophobicContact CB-CG2 4.03Å; A55-C105 HydrophobicContact CB-CB 4.21Å
56	L	94	Very high	94	Very high	101 Å²	101	19.3 Å²	19.3	53%	0.529	10%	0.099	S	C	.	.	H	α-helix	trans	-80.9	-10.8	177.6	-65.6	178.8	0	0	0	113.8	W5 K52 D53 L54 V102	W5-L56 WeakPolarHBondContact CZ3-O 3.26Å; K52-L56 HydrophobicContact CD-CD1 4.45Å; K52-L56 HydrophobicContact CG-CD1 3.79Å; K52-L56 HydrophobicContact CG-CG 4.49Å; K52-L56 WeakPolarHBondContact O-CB 3.29Å; K52-L56 VanDerWaalsContact O-CG 3.31Å; K52-L56 WeakPolarHBondContact O-CG 3.4Å; K52-L56 PolarHBondContact O-N 3.22Å; D53-L56 CarbonylContact O-C 3.5Å; D53-L56 PolarHBondContact O-N 2.9Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 PolarHBondContact O-N 2.65Å; L56-V102 HydrophobicContact CD2-CG1 4.47Å; L56-V102 HydrophobicContact CD2-CG2 3.93Å; L56-V102 HydrophobicContact CG-CG2 4.48Å
57	S	90.2	Very high	93.5	Very high	27 Å²	27	24.1 Å²	24.1	19%	0.189	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1	171.2	-71.7	0	0	0	0	113.7	D53 L54 A55	D53-S57 WeakPolarHBondContact O-CB 3.38Å; D53-S57 PolarHBondContact O-N 3.45Å; D53-S57 PolarHBondContact O-OG 3.43Å; D53-S57 VanDerWaalsContact O-OG 3.07Å; L54-S57 PolarHBondContact O-N 2.82Å; L54-S57 VanDerWaalsContact O-N 3.16Å; A55-S57 VanDerWaalsContact C-N 3.33Å
58	G	90	Very high	93.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.6	-7.5	176.6	0	0	0	0	0	114.4	W5 H34 L54 A55 Q60	W5-G58 VanDerWaalsContact CZ3-CA 3.49Å; H34-G58 PolarHBondContact CD2-O 3.5Å; L54-G58 PolarHBondContact O-N 2.89Å; A55-G58 PolarHBondContact O-N 2.81Å; G58-Q60 WeakPolarHBondContact O-CG 3.18Å; G58-Q60 PolarHBondContact O-N 3.39Å
59	F	91.2	Very high	92.8	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.162	C	C	.	.			trans	-69.1	126.2	-179.5	-62.3	-74.6	0	0	0	110.9	I33 C36 I38 L54 I62 C105 Y328 Y329 V332	I33-F59 HydrophobicContact CB-CE1 4.36Å; I33-F59 HydrophobicContact CD1-CE1 3.79Å; I33-F59 HydrophobicContact CD1-CZ 3.74Å; I33-F59 HydrophobicContact CG2-CD1 3.81Å; I33-F59 HydrophobicContact CG2-CD2 4.48Å; I33-F59 HydrophobicContact CG2-CE1 3.71Å; I33-F59 HydrophobicContact CG2-CE2 4.38Å; I33-F59 HydrophobicContact CG2-CG 4.21Å; I33-F59 HydrophobicContact CG2-CZ 3.98Å; I33-F59 VanDerWaalsContact O-CD1 3.3Å; I33-F59 WeakPolarHBondContact O-CD1 3.45Å; C36-F59 HydrophobicContact CB-CD1 4.01Å; C36-F59 HydrophobicContact CB-CE1 4.05Å; I38-F59 HydrophobicContact CD1-CB 3.72Å; I38-F59 HydrophobicContact CD1-CD1 3.44Å; I38-F59 VanDerWaalsContact CD1-CD1 3.44Å; I38-F59 HydrophobicContact CD1-CD2 3.91Å; I38-F59 HydrophobicContact CD1-CE1 4Å; I38-F59 HydrophobicContact CD1-CE2 4.44Å; I38-F59 HydrophobicContact CD1-CG 3.38Å; I38-F59 HydrophobicContact CD1-CZ 4.49Å; I38-F59 HydrophobicContact CG1-CD1 4.34Å; L54-F59 HydrophobicContact CB-CD2 4.27Å; L54-F59 HydrophobicContact CD2-CD2 3.81Å; L54-F59 HydrophobicContact CD2-CE2 4.13Å; L54-F59 WeakPolarHBondContact O-CB 3.27Å; L54-F59 WeakPolarHBondContact O-CD2 3.26Å; L54-F59 PolarHBondContact O-N 3.09Å; L54-F59 VanDerWaalsContact O-N 3.15Å; F59-I62 HydrophobicContact CB-CD1 4.25Å; F59-I62 HydrophobicContact CB-CG1 4.29Å; F59-C105 PolarHBondContact O-SG 3.46Å; F59-Y328 AromaticContact CD1-CE1 3.98Å; F59-Y328 HydrophobicContact CD1-CE1 3.98Å; F59-Y328 AromaticContact CD2-CE1 3.98Å; F59-Y328 HydrophobicContact CD2-CE1 3.98Å; F59-Y328 HydrophobicContact CE1-CD1 4.48Å; F59-Y328 AromaticContact CE1-CE1 3.34Å; F59-Y328 HydrophobicContact CE1-CE1 3.34Å; F59-Y328 AromaticContact CE1-CZ 3.56Å; F59-Y328 WeakPolarHBondContact CE1-OH 3.36Å; F59-Y328 AromaticContact CE2-CD1 3.85Å; F59-Y328 HydrophobicContact CE2-CD1 3.85Å; F59-Y328 AromaticContact CE2-CE1 3.37Å; F59-Y328 HydrophobicContact CE2-CE1 3.37Å; F59-Y328 HydrophobicContact CG-CE1 4.27Å; F59-Y328 AromaticContact CZ-CD1 3.79Å; F59-Y328 HydrophobicContact CZ-CD1 3.79Å; F59-Y328 AromaticContact CZ-CE1 3.01Å; F59-Y328 HydrophobicContact CZ-CE1 3.01Å; F59-Y328 AromaticContact CZ-CZ 3.63Å; F59-Y329 HydrophobicContact CE2-CD2 4.06Å; F59-Y329 HydrophobicContact CZ-CD2 4.14Å; F59-V332 HydrophobicContact CE1-CG2 4.04Å; F59-V332 HydrophobicContact CZ-CG2 3.81Å
60	Q	93.6	Very high	92.5	Very high	54 Å²	54	30.3 Å²	30.3	25%	0.252	16%	0.159	S	C	.	.			trans	-107.4	-22.4	-176.3	-62.1	-175.7	5	0	0	113	H34 G58 G104 N106	H34-Q60 HydrophobicContact CB-CG 4.27Å; H34-Q60 PolarHBondContact CD2-NE2 3.46Å; H34-Q60 VanDerWaalsContact CD2-NE2 3.28Å; H34-Q60 PolarHBondContact CE1-NE2 2.93Å; H34-Q60 VanDerWaalsContact CG-NE2 3.34Å; H34-Q60 PolarHBondContact NE2-NE2 3.01Å; G58-Q60 WeakPolarHBondContact O-CG 3.18Å; G58-Q60 PolarHBondContact O-N 3.39Å; Q60-G104 WeakPolarHBondContact CG-O 3.5Å; Q60-N106 CarbonylContact O-C 3.59Å; Q60-N106 VanDerWaalsContact O-CA 3.3Å; Q60-N106 WeakPolarHBondContact O-CA 3.36Å; Q60-N106 WeakPolarHBondContact O-CB 3.49Å; Q60-N106 PolarHBondContact O-N 3.2Å
61	N	92.7	Very high	92.1	Very high	52 Å²	52	33.5 Å²	33.5	28%	0.278	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	83.6	-177.4	-58.8	-39.5	0	0	0	110.5	H34 S35 C36 K37 I38	H34-N61 PolarHBondContact O-ND2 3.08Å; H34-N61 VanDerWaalsContact O-ND2 3.16Å; S35-N61 PolarHBondContact O-ND2 3.32Å; S35-N61 VanDerWaalsContact O-ND2 3.15Å; C36-N61 WeakPolarHBondContact O-CB 3.47Å; K37-N61 WeakPolarHBondContact CA-O 3.33Å; K37-N61 HydrophobicContact CG-CB 4.13Å; I38-N61 PolarHBondContact N-O 3.23Å
62	I	94.2	Very high	91.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.3	-176.9	-53.9	176.2	0	0	0	109.7	I38 V40 L51 L54 A55 F59 N106 V107 T108	I38-I62 CarbonylContact O-C 3.45Å; V40-I62 HydrophobicContact CG2-CG2 3.95Å; L51-I62 HydrophobicContact CD2-CG2 3.78Å; L54-I62 HydrophobicContact CB-CD1 3.73Å; A55-I62 HydrophobicContact CB-CD1 4.46Å; F59-I62 HydrophobicContact CB-CD1 4.25Å; F59-I62 HydrophobicContact CB-CG1 4.29Å; I62-N106 PolarHBondContact N-O 3.36Å; I62-V107 HydrophobicContact CB-CG1 4.41Å; I62-V107 HydrophobicContact CB-CG2 4.29Å; I62-V107 HydrophobicContact CG2-CG1 4.33Å; I62-V107 CarbonylContact O-C 3.58Å; I62-V107 VanDerWaalsContact O-CA 3.27Å; I62-V107 WeakPolarHBondContact O-CA 3.33Å; I62-T108 PolarHBondContact O-N 2.94Å
63	H	93.9	Very high	91.1	Very high	29 Å²	29	39.1 Å²	39.1	13%	0.134	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	142	168.3	-71.5	-116.5	0	0	0	108.9	I38 L39 V40 T108 I110 F142	I38-H63 PolarHBondContact O-N 2.84Å; L39-H63 HydrophobicContact CD1-CB 3.79Å; V40-H63 PolarHBondContact N-O 3.26Å; H63-T108 CarbonylContact C-O 3.56Å; H63-T108 VanDerWaalsContact CA-O 3.29Å; H63-T108 WeakPolarHBondContact CA-O 3.43Å; H63-I110 HydrophobicContact CB-CD1 4.08Å; H63-F142 HydrophobicContact CB-CE1 3.7Å; H63-F142 HydrophobicContact CB-CZ 3.76Å; H63-F142 AromaticContact CD2-CE1 3.65Å; H63-F142 AromaticContact CG-CE1 3.63Å; H63-F142 AromaticContact CG-CZ 3.73Å
64	V	93.6	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.4	176.7	61	0	0	0	0	110.7	V40 A43 L51 A91 A95 V107 T108 A109 I110	V40-V64 HydrophobicContact CB-CG2 4.47Å; V40-V64 WeakPolarHBondContact O-CA 3.39Å; A43-V64 HydrophobicContact CB-CG2 3.97Å; L51-V64 HydrophobicContact CD1-CG2 4.18Å; L51-V64 HydrophobicContact CD2-CB 4.21Å; L51-V64 HydrophobicContact CD2-CG2 4.48Å; V64-A91 HydrophobicContact CG1-CB 4.46Å; V64-A95 HydrophobicContact CG1-CB 4.14Å; V64-V107 HydrophobicContact CG1-CG1 3.94Å; V64-T108 PolarHBondContact N-O 2.92Å; V64-A109 HydrophobicContact CG1-CB 4.32Å; V64-I110 PolarHBondContact O-N 3.04Å
65	I	90.7	Very high	90.7	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.077	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.3	172.9	-65.1	168.2	0	0	0	108.7	L39 V40 G42 I110 I133	L39-I65 HydrophobicContact CD1-CD1 3.72Å; L39-I65 HydrophobicContact CD1-CG1 3.95Å; L39-I65 HydrophobicContact CD2-CD1 4.1Å; L39-I65 HydrophobicContact CG-CD1 4.41Å; V40-I65 PolarHBondContact O-N 2.97Å; G42-I65 WeakPolarHBondContact CA-O 3.32Å; G42-I65 PolarHBondContact N-O 3.17Å; I65-I110 HydrophobicContact CD1-CD1 4.18Å; I65-I110 HydrophobicContact CD1-CG2 4.32Å; I65-I110 HydrophobicContact CG1-CB 3.63Å; I65-I110 HydrophobicContact CG1-CD1 3.89Å; I65-I110 HydrophobicContact CG1-CG1 4.31Å; I65-I110 HydrophobicContact CG1-CG2 3.82Å; I65-I133 HydrophobicContact CD1-CD1 3.87Å; I65-I133 HydrophobicContact CD1-CG1 3.77Å
66	D	88.9	Confident	90.2	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.091	25%	0.245	C	C	.	.			trans	-151.3	144.3	166	-162.5	-63.3	0	0	0	108.2	A43 D68 K90 A91	A43-D66 WeakPolarHBondContact CA-OD2 3.34Å; A43-D66 HydrophobicContact CB-CB 3.65Å; A43-D66 PolarHBondContact N-OD2 2.97Å; D66-D68 WeakPolarHBondContact OD1-CB 3.47Å; D66-D68 PolarHBondContact OD1-N 2.9Å; D66-K90 HydrophobicContact CB-CB 4.15Å; D66-A91 HydrophobicContact CB-CB 4.04Å
67	M	83.7	Confident	89.9	Confident	105 Å²	105	43.4 Å²	43.4	52%	0.517	23%	0.229	S	C	.	.			trans	-103.9	-9.6	-177.4	-70.8	178	-98.8	0	0	113.1	D112 Y129 P130	M67-D112 HydrophobicContact CG-CB 4.44Å; M67-Y129 HydrophobicContact CE-CD1 4.43Å; M67-P130 HydrophobicContact CE-CG 3.55Å; M67-P130 HydrophobicContact CG-CG 4.37Å; M67-P130 HydrophobicContact SD-CB 4.48Å; M67-P130 HydrophobicContact SD-CG 3.14Å; M67-P130 WeakPolarHBondContact SD-CG 3.33Å
68	D	86.9	Confident	90.1	Very high	79 Å²	79	42.3 Å²	42.3	42%	0.422	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-89.5	159	-174.2	-62.7	-20	0	0	0	111.7	D66 K90	D66-D68 WeakPolarHBondContact OD1-CB 3.47Å; D66-D68 PolarHBondContact OD1-N 2.9Å; D68-K90 HydrophobicContact CB-CD 3.81Å; D68-K90 HydrophobicContact CB-CG 4.36Å; D68-K90 PolarHBondContact O-N 2.87Å; D68-K90 VanDerWaalsContact O-N 3.09Å; D68-K90 IonicContact OD2-NZ 3.79Å; D68-K90 PolarHBondContact OD2-NZ 3.48Å
69	T	90	Very high	90.4	Very high	69 Å²	69	45.6 Å²	45.6	42%	0.423	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-94.8	156	165.5	53.2	0	0	0	0	111	S88 K90	T69-S88 CarbonylContact C-O 3.49Å; T69-S88 VanDerWaalsContact CA-O 3.23Å; T69-S88 WeakPolarHBondContact CA-O 3.33Å; T69-K90 WeakPolarHBondContact O-CE 3.45Å
70	I	93.4	Very high	90.7	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-71.2	130.2	178.2	-62.3	164.3	0	0	0	109.8	L75 F81 D85 V86 G87 S88 K90 T93	I70-L75 HydrophobicContact CG2-CD2 4.42Å; I70-F81 HydrophobicContact CD1-CB 4.12Å; I70-F81 HydrophobicContact CD1-CD1 3.48Å; I70-F81 VanDerWaalsContact CD1-CD1 3.48Å; I70-F81 HydrophobicContact CD1-CD2 4.3Å; I70-F81 HydrophobicContact CD1-CE1 3.96Å; I70-F81 HydrophobicContact CD1-CG 3.7Å; I70-F81 HydrophobicContact CG1-CB 4.45Å; I70-F81 HydrophobicContact CG1-CD1 4.02Å; I70-F81 HydrophobicContact CG1-CD2 3.96Å; I70-F81 HydrophobicContact CG1-CE1 4.28Å; I70-F81 HydrophobicContact CG1-CE2 4.23Å; I70-F81 HydrophobicContact CG1-CG 3.87Å; I70-F81 HydrophobicContact CG1-CZ 4.4Å; I70-F81 HydrophobicContact CG2-CB 3.94Å; I70-F81 HydrophobicContact CG2-CD2 4.26Å; I70-F81 HydrophobicContact CG2-CG 4.17Å; I70-D85 HydrophobicContact CD1-CB 3.69Å; I70-V86 HydrophobicContact CG2-CG2 4.35Å; I70-G87 PolarHBondContact O-N 2.9Å; I70-S88 PolarHBondContact N-O 2.67Å; I70-K90 HydrophobicContact CG1-CB 4.48Å; I70-K90 HydrophobicContact CG1-CG 3.77Å; I70-T93 HydrophobicContact CD1-CG2 3.82Å
71	E	88.4	Confident	90.9	Very high	66 Å²	66	44 Å²	44	31%	0.308	23%	0.228	S	C	.	.			trans	-113.1	157.6	172	-66.8	171.1	-154.7	0	0	111.9	S73 N74	E71-S73 PolarHBondContact O-N 3.48Å; E71-S73 PolarHBondContact OE2-OG 2.84Å; E71-N74 PolarHBondContact N-OD1 3.41Å; E71-N74 WeakPolarHBondContact O-CB 3.49Å; E71-N74 PolarHBondContact O-N 2.92Å
72	L	88.7	Confident	91.1	Very high	116 Å²	116	47.8 Å²	47.8	61%	0.607	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-56.1	-35.1	173.6	-170.4	69.1	0	0	0	112.4	N74 L75 E83	L72-N74 PolarHBondContact O-N 3.23Å; L72-N74 VanDerWaalsContact O-N 3.13Å; L72-L75 HydrophobicContact CD1-CD1 3.9Å; L72-L75 PolarHBondContact O-N 2.91Å; L72-E83 HydrophobicContact CD1-CG 4.46Å
73	S	83.5	Confident	91.2	Very high	61 Å²	61	54.9 Å²	54.9	43%	0.427	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.9	-16.4	178	76.2	0	0	0	0	113.8	E71 N76 R77	E71-S73 PolarHBondContact O-N 3.48Å; E71-S73 PolarHBondContact OE2-OG 2.84Å; S73-N76 PolarHBondContact O-OD1 3.18Å; S73-R77 PolarHBondContact O-NH1 3.13Å
74	N	89.6	Confident	91.4	Very high	7 Å²	7	61.9 Å²	61.9	4%	0.037	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-85	-27.2	-175.9	-61.4	170.1	0	0	0	112.3	E71 L72 N76 R77 Q78 K90	E71-N74 PolarHBondContact N-OD1 3.41Å; E71-N74 WeakPolarHBondContact O-CB 3.49Å; E71-N74 PolarHBondContact O-N 2.92Å; L72-N74 PolarHBondContact O-N 3.23Å; L72-N74 VanDerWaalsContact O-N 3.13Å; N74-N76 PolarHBondContact O-N 3.25Å; N74-N76 VanDerWaalsContact O-N 3.11Å; N74-R77 PolarHBondContact O-N 3.09Å; N74-Q78 HydrophobicContact CB-CB 4.37Å; N74-Q78 HydrophobicContact CB-CG 4.3Å; N74-Q78 WeakPolarHBondContact O-CB 3.33Å; N74-Q78 PolarHBondContact O-N 3.34Å; N74-K90 VanDerWaalsContact OD1-CE 3.26Å; N74-K90 WeakPolarHBondContact OD1-CE 3.35Å
75	L	91.5	Very high	91.6	Very high	51 Å²	51	63 Å²	63	27%	0.267	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.5	-168.1	-57	-174.2	0	0	0	114.3	I70 L72 R77 F81 E83	I70-L75 HydrophobicContact CG2-CD2 4.42Å; L72-L75 HydrophobicContact CD1-CD1 3.9Å; L72-L75 PolarHBondContact O-N 2.91Å; L75-R77 PolarHBondContact O-N 2.76Å; L75-F81 HydrophobicContact CD2-CB 3.78Å; L75-E83 HydrophobicContact CD1-CB 4.18Å
76	N	84.8	Confident	91.7	Very high	105 Å²	105	65.3 Å²	65.3	56%	0.561	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-16	177.9	76.9	-43.1	0	0	0	113.8	S73 N74	S73-N76 PolarHBondContact O-OD1 3.18Å; N74-N76 PolarHBondContact O-N 3.25Å; N74-N76 VanDerWaalsContact O-N 3.11Å
77	R	88	Confident	91.9	Very high	55 Å²	55	67 Å²	67	21%	0.208	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	-18.5	-175.7	69.8	-167.6	176.7	-79.6	6.4	114.8	S73 N74 L75 F79 A312 A314	S73-R77 PolarHBondContact O-NH1 3.13Å; N74-R77 PolarHBondContact O-N 3.09Å; L75-R77 PolarHBondContact O-N 2.76Å; R77-F79 PolarHBondContact O-N 2.9Å; R77-A312 VanDerWaalsContact CD-CB 3.43Å; R77-A314 HydrophobicContact CB-CB 4.41Å
78	Q	94.2	Very high	92.5	Very high	5 Å²	5	64.3 Å²	64.3	2%	0.023	34%	0.336	C	S	.	.			trans	-99.2	74.9	-179.3	-61.9	176.2	22.3	0	0	109.4	N74 L80 F81	N74-Q78 HydrophobicContact CB-CB 4.37Å; N74-Q78 HydrophobicContact CB-CG 4.3Å; N74-Q78 WeakPolarHBondContact O-CB 3.33Å; N74-Q78 PolarHBondContact O-N 3.34Å; Q78-L80 PolarHBondContact O-N 3.33Å; Q78-F81 HydrophobicContact CB-CD2 3.48Å; Q78-F81 VanDerWaalsContact CB-CD2 3.48Å; Q78-F81 HydrophobicContact CB-CE2 3.76Å; Q78-F81 HydrophobicContact CB-CG 4.5Å; Q78-F81 HydrophobicContact CG-CD2 4.44Å; Q78-F81 HydrophobicContact CG-CE2 4.36Å; Q78-F81 PolarHBondContact O-N 2.64Å
79	F	96.4	Very high	92.9	Very high	68 Å²	68	61.5 Å²	61.5	30%	0.298	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.8	-169.1	68.3	-90.9	0	0	0	115	C48 E49 K52 R77 F81 R82	C48-F79 HydrophobicContact CB-CD1 4.35Å; C48-F79 HydrophobicContact CB-CE1 3.96Å; C48-F79 HydrophobicContact CB-CZ 4.38Å; C48-F79 WeakPolarHBondContact O-CZ 3.36Å; E49-F79 HydrophobicContact CG-CE1 3.96Å; E49-F79 WeakPolarHBondContact OE1-CE1 3.42Å; K52-F79 HydrophobicContact CB-CE2 4.35Å; K52-F79 HydrophobicContact CB-CZ 3.84Å; K52-F79 HydrophobicContact CD-CE2 4.13Å; K52-F79 HydrophobicContact CD-CZ 3.83Å; K52-F79 HydrophobicContact CG-CZ 4.41Å; R77-F79 PolarHBondContact O-N 2.9Å; F79-F81 VanDerWaalsContact C-N 3.26Å; F79-R82 PolarHBondContact O-NH1 3Å; F79-R82 PolarHBondContact O-NH2 3.45Å
80	L	97.6	Very high	93.2	Very high	17 Å²	17	58.8 Å²	58.8	9%	0.089	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17	171.1	-64	-178.4	0	0	0	112.2	C48 L51 Q78 A94 A97 I98	C48-L80 HydrophobicContact CB-CD1 3.97Å; C48-L80 HydrophobicContact CB-CG 3.98Å; L51-L80 HydrophobicContact CB-CD1 4.36Å; L51-L80 HydrophobicContact CD1-CD1 3.97Å; Q78-L80 PolarHBondContact O-N 3.33Å; L80-A94 HydrophobicContact CD1-CB 3.85Å; L80-A97 HydrophobicContact CB-CB 4.17Å; L80-A97 HydrophobicContact CD2-CB 4.09Å; L80-I98 HydrophobicContact CD1-CD1 4.12Å; L80-I98 HydrophobicContact CD1-CG1 4.08Å; L80-I98 HydrophobicContact CD2-CD1 3.84Å; L80-I98 HydrophobicContact CD2-CG1 4.31Å
81	F	97.6	Very high	93.3	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.018	30%	0.304	C	S	.	.			trans	-103.4	150.2	-175.7	-49.2	-37.6	0	0	0	111.8	A43 I70 L75 Q78 F79 K90 T93 A94	A43-F81 WeakPolarHBondContact O-CZ 3.36Å; I70-F81 HydrophobicContact CD1-CB 4.12Å; I70-F81 HydrophobicContact CD1-CD1 3.48Å; I70-F81 VanDerWaalsContact CD1-CD1 3.48Å; I70-F81 HydrophobicContact CD1-CD2 4.3Å; I70-F81 HydrophobicContact CD1-CE1 3.96Å; I70-F81 HydrophobicContact CD1-CG 3.7Å; I70-F81 HydrophobicContact CG1-CB 4.45Å; I70-F81 HydrophobicContact CG1-CD1 4.02Å; I70-F81 HydrophobicContact CG1-CD2 3.96Å; I70-F81 HydrophobicContact CG1-CE1 4.28Å; I70-F81 HydrophobicContact CG1-CE2 4.23Å; I70-F81 HydrophobicContact CG1-CG 3.87Å; I70-F81 HydrophobicContact CG1-CZ 4.4Å; I70-F81 HydrophobicContact CG2-CB 3.94Å; I70-F81 HydrophobicContact CG2-CD2 4.26Å; I70-F81 HydrophobicContact CG2-CG 4.17Å; L75-F81 HydrophobicContact CD2-CB 3.78Å; Q78-F81 HydrophobicContact CB-CD2 3.48Å; Q78-F81 VanDerWaalsContact CB-CD2 3.48Å; Q78-F81 HydrophobicContact CB-CE2 3.76Å; Q78-F81 HydrophobicContact CB-CG 4.5Å; Q78-F81 HydrophobicContact CG-CD2 4.44Å; Q78-F81 HydrophobicContact CG-CE2 4.36Å; Q78-F81 PolarHBondContact O-N 2.64Å; F79-F81 VanDerWaalsContact C-N 3.26Å; F81-K90 WeakPolarHBondContact CE1-O 3.23Å; F81-K90 HydrophobicContact CE2-CB 4.28Å; F81-K90 HydrophobicContact CE2-CD 4.24Å; F81-K90 HydrophobicContact CE2-CG 3.96Å; F81-K90 HydrophobicContact CZ-CB 3.83Å; F81-K90 HydrophobicContact CZ-CG 4.01Å; F81-T93 HydrophobicContact CD1-CG2 3.76Å; F81-T93 HydrophobicContact CE1-CG2 4.21Å; F81-A94 HydrophobicContact CE1-CB 3.88Å; F81-A94 HydrophobicContact CZ-CB 4.16Å
82	R	97.5	Very high	93.6	Very high	132 Å²	132	57.4 Å²	57.4	50%	0.498	30%	0.301	S	S	.	.			trans	-123.3	165.9	174.8	-59.8	-68.3	175.3	-88.1	-0.9	109.4	F79 K84 D85	F79-R82 PolarHBondContact O-NH1 3Å; F79-R82 PolarHBondContact O-NH2 3.45Å; R82-K84 HydrophobicContact CB-CG 3.9Å; R82-K84 PolarHBondContact O-N 3.26Å; R82-D85 WeakPolarHBondContact CA-OD2 2.96Å; R82-D85 WeakPolarHBondContact CB-OD2 3.28Å; R82-D85 PolarHBondContact N-OD2 2.85Å; R82-D85 WeakPolarHBondContact O-CB 3.22Å; R82-D85 PolarHBondContact O-N 3.07Å
83	E	96.6	Very high	94.1	Very high	150 Å²	150	52.6 Å²	52.6	70%	0.701	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-56.4	-36.7	178.4	-171.8	173.6	-176.4	0	0	112.8	L72 L75 D85 V86	L72-E83 HydrophobicContact CD1-CG 4.46Å; L75-E83 HydrophobicContact CD1-CB 4.18Å; E83-D85 PolarHBondContact O-N 2.88Å; E83-V86 WeakPolarHBondContact O-CB 3.45Å; E83-V86 VanDerWaalsContact O-CG2 3.27Å; E83-V86 WeakPolarHBondContact O-CG2 3.44Å; E83-V86 PolarHBondContact O-N 3.07Å
84	K	97.5	Very high	94.8	Very high	176 Å²	176	49.7 Å²	49.7	77%	0.765	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-63.1	-18.6	174.5	62	162.2	-166.7	168.6	0	114.6	R82	R82-K84 HydrophobicContact CB-CG 3.9Å; R82-K84 PolarHBondContact O-N 3.26Å
85	D	97.2	Very high	95.2	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.123	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-93.3	-5.9	-176.2	-49.6	-43.4	0	0	0	111.6	I70 R82 E83 G87 S88 T93	I70-D85 HydrophobicContact CD1-CB 3.69Å; R82-D85 WeakPolarHBondContact CA-OD2 2.96Å; R82-D85 WeakPolarHBondContact CB-OD2 3.28Å; R82-D85 PolarHBondContact N-OD2 2.85Å; R82-D85 WeakPolarHBondContact O-CB 3.22Å; R82-D85 PolarHBondContact O-N 3.07Å; E83-D85 PolarHBondContact O-N 2.88Å; D85-G87 PolarHBondContact O-N 3.46Å; D85-S88 WeakPolarHBondContact O-CB 3.32Å; D85-S88 PolarHBondContact O-N 2.93Å; D85-S88 PolarHBondContact O-OG 2.63Å; D85-S88 VanDerWaalsContact O-OG 3.08Å; D85-T93 HydrophobicContact CB-CG2 3.94Å
86	V	94.7	Very high	95.5	Very high	64 Å²	64	52.4 Å²	52.4	39%	0.388	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	129.8	179.2	173.5	0	0	0	0	110.6	I70 E83 S88	I70-V86 HydrophobicContact CG2-CG2 4.35Å; E83-V86 WeakPolarHBondContact O-CB 3.45Å; E83-V86 VanDerWaalsContact O-CG2 3.27Å; E83-V86 WeakPolarHBondContact O-CG2 3.44Å; E83-V86 PolarHBondContact O-N 3.07Å; V86-S88 VanDerWaalsContact C-N 3.34Å
87	G	93.2	Very high	96.1	Very high	51 Å²	51	48.8 Å²	48.8	53%	0.526	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-12.5	-173.4	0	0	0	0	0	114.8	I70 D85	I70-G87 PolarHBondContact O-N 2.9Å; D85-G87 PolarHBondContact O-N 3.46Å
88	S	95.5	Very high	96.6	Very high	50 Å²	50	46.4 Å²	46.4	35%	0.35	24%	0.243	S	C	.	.	S	Bend	trans	-81.2	165	175.7	-52.4	0	0	0	0	111.7	T69 I70 D85 V86	T69-S88 CarbonylContact C-O 3.49Å; T69-S88 VanDerWaalsContact CA-O 3.23Å; T69-S88 WeakPolarHBondContact CA-O 3.33Å; I70-S88 PolarHBondContact N-O 2.67Å; D85-S88 WeakPolarHBondContact O-CB 3.32Å; D85-S88 PolarHBondContact O-N 2.93Å; D85-S88 PolarHBondContact O-OG 2.63Å; D85-S88 VanDerWaalsContact O-OG 3.08Å; V86-S88 VanDerWaalsContact C-N 3.34Å
89	S	95.1	Very high	96.8	Very high	20 Å²	20	50.5 Å²	50.5	14%	0.14	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-68.1	128.4	177.3	177	0	0	0	0	112.2	A91 T93 E111	S89-A91 VanDerWaalsContact C-N 3.32Å; S89-A91 PolarHBondContact O-N 2.82Å; S89-T93 WeakPolarHBondContact O-CB 3.28Å; S89-T93 PolarHBondContact O-N 2.73Å; S89-T93 VanDerWaalsContact O-N 3.1Å; S89-T93 PolarHBondContact O-OG1 2.95Å; S89-T93 VanDerWaalsContact O-OG1 3.07Å; S89-E111 WeakPolarHBondContact CB-OE1 3.2Å; S89-E111 PolarHBondContact OG-OE1 2.96Å
90	K	95.6	Very high	96.8	Very high	11 Å²	11	51.4 Å²	51.4	5%	0.048	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-43.4	177.1	-71	-172.8	-167.9	158.2	0	111.7	A43 D66 D68 T69 I70 N74 F81 A94	A43-K90 HydrophobicContact CB-CB 4.03Å; D66-K90 HydrophobicContact CB-CB 4.15Å; D68-K90 HydrophobicContact CB-CD 3.81Å; D68-K90 HydrophobicContact CB-CG 4.36Å; D68-K90 PolarHBondContact O-N 2.87Å; D68-K90 VanDerWaalsContact O-N 3.09Å; D68-K90 IonicContact OD2-NZ 3.79Å; D68-K90 PolarHBondContact OD2-NZ 3.48Å; T69-K90 WeakPolarHBondContact O-CE 3.45Å; I70-K90 HydrophobicContact CG1-CB 4.48Å; I70-K90 HydrophobicContact CG1-CG 3.77Å; N74-K90 VanDerWaalsContact OD1-CE 3.26Å; N74-K90 WeakPolarHBondContact OD1-CE 3.35Å; F81-K90 WeakPolarHBondContact CE1-O 3.23Å; F81-K90 HydrophobicContact CE2-CB 4.28Å; F81-K90 HydrophobicContact CE2-CD 4.24Å; F81-K90 HydrophobicContact CE2-CG 3.96Å; F81-K90 HydrophobicContact CZ-CB 3.83Å; F81-K90 HydrophobicContact CZ-CG 4.01Å; K90-A94 WeakPolarHBondContact O-CB 3.42Å; K90-A94 PolarHBondContact O-N 3.1Å
91	A	95.3	Very high	96.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-48.6	-176.9	0	0	0	0	0	111.9	V64 D66 S89 A95 A109	V64-A91 HydrophobicContact CG1-CB 4.46Å; D66-A91 HydrophobicContact CB-CB 4.04Å; S89-A91 VanDerWaalsContact C-N 3.32Å; S89-A91 PolarHBondContact O-N 2.82Å; A91-A95 WeakPolarHBondContact O-CB 3.28Å; A91-A95 PolarHBondContact O-N 3.09Å; A91-A109 HydrophobicContact CB-CB 4.15Å
92	V	96.6	Very high	96.6	Very high	40 Å²	40	60.4 Å²	60.4	24%	0.242	32%	0.315	C	S	.	.	H	α-helix	trans	-65.5	-52	-178.6	177.9	0	0	0	0	110.8	A94 A95 E96 A109 E111	V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 3.14Å; V92-A95 PolarHBondContact O-N 3.41Å; V92-E96 HydrophobicContact CG1-CG 4.46Å; V92-E96 WeakPolarHBondContact O-CG 3.5Å; V92-E96 PolarHBondContact O-N 3.38Å; V92-A109 HydrophobicContact CB-CB 4.42Å; V92-A109 HydrophobicContact CG2-CB 3.97Å; V92-E111 HydrophobicContact CG2-CG 3.89Å; V92-E111 WeakPolarHBondContact CG2-OE2 3.2Å
93	T	97.8	Very high	96.4	Very high	14 Å²	14	58.7 Å²	58.7	9%	0.086	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-39.1	-178.9	-55.4	0	0	0	0	111.5	I70 F81 D85 S89 E96 A97	I70-T93 HydrophobicContact CD1-CG2 3.82Å; F81-T93 HydrophobicContact CD1-CG2 3.76Å; F81-T93 HydrophobicContact CE1-CG2 4.21Å; D85-T93 HydrophobicContact CB-CG2 3.94Å; S89-T93 WeakPolarHBondContact O-CB 3.28Å; S89-T93 PolarHBondContact O-N 2.73Å; S89-T93 VanDerWaalsContact O-N 3.1Å; S89-T93 PolarHBondContact O-OG1 2.95Å; S89-T93 VanDerWaalsContact O-OG1 3.07Å; T93-E96 PolarHBondContact O-N 3.43Å; T93-A97 VanDerWaalsContact O-CB 3.28Å; T93-A97 WeakPolarHBondContact O-CB 3.4Å; T93-A97 PolarHBondContact O-N 3.07Å
94	A	98	Very high	96.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-44.8	176.5	0	0	0	0	0	111.7	A43 L51 L80 F81 K90 V92 A97 I98	A43-A94 HydrophobicContact CB-CB 4.19Å; L51-A94 HydrophobicContact CD1-CB 3.71Å; L80-A94 HydrophobicContact CD1-CB 3.85Å; F81-A94 HydrophobicContact CE1-CB 3.88Å; F81-A94 HydrophobicContact CZ-CB 4.16Å; K90-A94 WeakPolarHBondContact O-CB 3.42Å; K90-A94 PolarHBondContact O-N 3.1Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 3.14Å; A94-A97 PolarHBondContact O-N 3.27Å; A94-I98 WeakPolarHBondContact O-CG1 3.5Å; A94-I98 PolarHBondContact O-N 3.47Å; A94-I98 VanDerWaalsContact O-N 3.09Å
95	A	97.9	Very high	95.9	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-44.8	177.4	0	0	0	0	0	112.1	V64 A91 V92 I98 K99 V107 A109	V64-A95 HydrophobicContact CG1-CB 4.14Å; A91-A95 WeakPolarHBondContact O-CB 3.28Å; A91-A95 PolarHBondContact O-N 3.09Å; V92-A95 PolarHBondContact O-N 3.41Å; A95-I98 PolarHBondContact O-N 2.79Å; A95-K99 WeakPolarHBondContact O-CB 3.47Å; A95-K99 WeakPolarHBondContact O-CE 3.31Å; A95-K99 WeakPolarHBondContact O-CG 3.31Å; A95-K99 PolarHBondContact O-N 2.79Å; A95-V107 HydrophobicContact CB-CB 3.92Å; A95-V107 HydrophobicContact CB-CG1 3.63Å; A95-A109 HydrophobicContact CB-CB 3.98Å
96	E	97.9	Very high	95.9	Very high	114 Å²	114	49.1 Å²	49.1	53%	0.533	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-44.1	176.4	-71.3	-180	166.2	0	0	112.2	V92 T93 I98 K99 A100	V92-E96 HydrophobicContact CG1-CG 4.46Å; V92-E96 WeakPolarHBondContact O-CG 3.5Å; V92-E96 PolarHBondContact O-N 3.38Å; T93-E96 PolarHBondContact O-N 3.43Å; E96-I98 VanDerWaalsContact C-N 3.33Å; E96-I98 PolarHBondContact O-N 2.99Å; E96-K99 PolarHBondContact O-N 2.91Å; E96-A100 VanDerWaalsContact O-CB 3.31Å; E96-A100 WeakPolarHBondContact O-CB 2.97Å; E96-A100 PolarHBondContact O-N 3.48Å
97	A	98	Very high	96	Very high	29 Å²	29	46 Å²	46	24%	0.24	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-41.8	178.9	0	0	0	0	0	112.2	L80 T93 A94 R101	L80-A97 HydrophobicContact CB-CB 4.17Å; L80-A97 HydrophobicContact CD2-CB 4.09Å; T93-A97 VanDerWaalsContact O-CB 3.28Å; T93-A97 WeakPolarHBondContact O-CB 3.4Å; T93-A97 PolarHBondContact O-N 3.07Å; A94-A97 PolarHBondContact O-N 3.27Å; A97-R101 VanDerWaalsContact O-CB 3.3Å; A97-R101 WeakPolarHBondContact O-CB 3.26Å; A97-R101 PolarHBondContact O-N 3.05Å; A97-R101 VanDerWaalsContact O-N 3.12Å
98	I	98.2	Very high	96	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-69.9	-48.5	177.8	-64.1	-71.6	0	0	0	111.2	L51 K52 A55 L80 A94 A95 E96 A100 R101 V102 V107	L51-I98 HydrophobicContact CB-CD1 3.94Å; L51-I98 HydrophobicContact CB-CG1 3.94Å; K52-I98 HydrophobicContact CB-CD1 4.44Å; A55-I98 HydrophobicContact CB-CG2 3.74Å; L80-I98 HydrophobicContact CD1-CD1 4.12Å; L80-I98 HydrophobicContact CD1-CG1 4.08Å; L80-I98 HydrophobicContact CD2-CD1 3.84Å; L80-I98 HydrophobicContact CD2-CG1 4.31Å; A94-I98 WeakPolarHBondContact O-CG1 3.5Å; A94-I98 PolarHBondContact O-N 3.47Å; A94-I98 VanDerWaalsContact O-N 3.09Å; A95-I98 PolarHBondContact O-N 2.79Å; E96-I98 VanDerWaalsContact C-N 3.33Å; E96-I98 PolarHBondContact O-N 2.99Å; I98-A100 PolarHBondContact O-N 3.21Å; I98-R101 PolarHBondContact O-N 3.49Å; I98-V102 PolarHBondContact O-N 3.06Å; I98-V107 HydrophobicContact CB-CG2 3.89Å; I98-V107 HydrophobicContact CG2-CG2 3.5Å; I98-V107 VanDerWaalsContact CG2-CG2 3.5Å
99	K	97.8	Very high	95.9	Very high	90 Å²	90	45.4 Å²	45.4	39%	0.391	27%	0.265	S	S	.	.	H	α-helix	trans	-56.2	-39.2	177.4	-75.3	-177.6	-65	-165.9	0	112	A95 E96 V107	A95-K99 WeakPolarHBondContact O-CB 3.47Å; A95-K99 WeakPolarHBondContact O-CE 3.31Å; A95-K99 WeakPolarHBondContact O-CG 3.31Å; A95-K99 PolarHBondContact O-N 2.79Å; E96-K99 PolarHBondContact O-N 2.91Å; K99-V107 WeakPolarHBondContact CD-O 3.46Å; K99-V107 WeakPolarHBondContact CE-O 3.34Å; K99-V107 HydrophobicContact CG-CB 4.27Å; K99-V107 HydrophobicContact CG-CG2 4.45Å; K99-V107 PolarHBondContact NZ-O 3.42Å
100	A	97.2	Very high	95.4	Very high	88 Å²	88	45.5 Å²	45.5	73%	0.727	26%	0.264	S	S	*	.	H	α-helix	trans	-70.1	-32.8	176.6	0	0	0	0	0	113.1	E96 I98	E96-A100 VanDerWaalsContact O-CB 3.31Å; E96-A100 WeakPolarHBondContact O-CB 2.97Å; E96-A100 PolarHBondContact O-N 3.48Å; I98-A100 PolarHBondContact O-N 3.21Å
101	R	96.4	Very high	94.3	Very high	201 Å²	201	48.5 Å²	48.5	76%	0.758	28%	0.278	S	S	*	.	H	α-helix	trans	-88.6	-33.5	-175.2	-176.8	57	61.3	-173	1.3	113.8	A97 I98 P103	A97-R101 VanDerWaalsContact O-CB 3.3Å; A97-R101 WeakPolarHBondContact O-CB 3.26Å; A97-R101 PolarHBondContact O-N 3.05Å; A97-R101 VanDerWaalsContact O-N 3.12Å; I98-R101 PolarHBondContact O-N 3.49Å; R101-P103 WeakPolarHBondContact O-CD 3.23Å
102	V	95.5	Very high	92.6	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.048	30%	0.299	C	S	.	.	S	Bend	trans	-121	89.2	-173.8	-172.5	0	0	0	0	109.5	A55 L56 I98 G104 C105	A55-V102 HydrophobicContact CB-CB 4.24Å; A55-V102 HydrophobicContact CB-CG1 4.18Å; A55-V102 HydrophobicContact CB-CG2 4.03Å; L56-V102 HydrophobicContact CD2-CG1 4.47Å; L56-V102 HydrophobicContact CD2-CG2 3.93Å; L56-V102 HydrophobicContact CG-CG2 4.48Å; I98-V102 PolarHBondContact O-N 3.06Å; V102-G104 PolarHBondContact O-N 3.24Å; V102-C105 HydrophobicContact CB-CB 4.1Å; V102-C105 HydrophobicContact CG1-CB 3.97Å; V102-C105 WeakPolarHBondContact O-CB 3.49Å; V102-C105 PolarHBondContact O-N 2.95Å; V102-C105 VanDerWaalsContact O-N 3.12Å
103	P	91.6	Very high	90.4	Very high	96 Å²	96	58.9 Å²	58.9	62%	0.623	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	131.7	177.2	-24.5	34.1	0	0	0	111.7	R101	R101-P103 WeakPolarHBondContact O-CD 3.23Å
104	G	90.6	Very high	87.9	Confident	56 Å²	56	61.6 Å²	61.6	58%	0.577	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-13	-177.2	0	0	0	0	0	114.6	Q60 V102	Q60-G104 WeakPolarHBondContact CG-O 3.5Å; V102-G104 PolarHBondContact O-N 3.24Å
105	C	94.9	Very high	85.1	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.061	37%	0.37	C	S	.	.			trans	-85.4	123	171.7	-169.9	0	0	0	0	110.2	A55 F59 V102	A55-C105 HydrophobicContact CB-CB 4.21Å; F59-C105 PolarHBondContact O-SG 3.46Å; V102-C105 HydrophobicContact CB-CB 4.1Å; V102-C105 HydrophobicContact CG1-CB 3.97Å; V102-C105 WeakPolarHBondContact O-CB 3.49Å; V102-C105 PolarHBondContact O-N 2.95Å; V102-C105 VanDerWaalsContact O-N 3.12Å
106	N	95.8	Very high	82.3	Confident	83 Å²	83	70 Å²	70	44%	0.444	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	108.1	173.7	-178.6	34.8	0	0	0	110.2	Q60 I62	Q60-N106 CarbonylContact O-C 3.59Å; Q60-N106 VanDerWaalsContact O-CA 3.3Å; Q60-N106 WeakPolarHBondContact O-CA 3.36Å; Q60-N106 WeakPolarHBondContact O-CB 3.49Å; Q60-N106 PolarHBondContact O-N 3.2Å; I62-N106 PolarHBondContact N-O 3.36Å
107	V	96.7	Very high	79.6	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120	174.6	-166.7	0	0	0	0	110.4	L51 I62 V64 A95 I98 K99	L51-V107 HydrophobicContact CD2-CG1 4.2Å; I62-V107 HydrophobicContact CB-CG1 4.41Å; I62-V107 HydrophobicContact CB-CG2 4.29Å; I62-V107 HydrophobicContact CG2-CG1 4.33Å; I62-V107 CarbonylContact O-C 3.58Å; I62-V107 VanDerWaalsContact O-CA 3.27Å; I62-V107 WeakPolarHBondContact O-CA 3.33Å; V64-V107 HydrophobicContact CG1-CG1 3.94Å; A95-V107 HydrophobicContact CB-CB 3.92Å; A95-V107 HydrophobicContact CB-CG1 3.63Å; I98-V107 HydrophobicContact CB-CG2 3.89Å; I98-V107 HydrophobicContact CG2-CG2 3.5Å; I98-V107 VanDerWaalsContact CG2-CG2 3.5Å; K99-V107 WeakPolarHBondContact CD-O 3.46Å; K99-V107 WeakPolarHBondContact CE-O 3.34Å; K99-V107 HydrophobicContact CG-CB 4.27Å; K99-V107 HydrophobicContact CG-CG2 4.45Å; K99-V107 PolarHBondContact NZ-O 3.42Å
108	T	94.4	Very high	76.9	Confident	53 Å²	53	73 Å²	73	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.5	177.2	-56.3	0	0	0	0	109.9	I62 H63 V64	I62-T108 PolarHBondContact O-N 2.94Å; H63-T108 CarbonylContact C-O 3.56Å; H63-T108 VanDerWaalsContact CA-O 3.29Å; H63-T108 WeakPolarHBondContact CA-O 3.43Å; V64-T108 PolarHBondContact N-O 2.92Å
109	A	93	Very high	73.9	Confident	34 Å²	34	81 Å²	81	28%	0.281	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.9	174.1	0	0	0	0	0	110.6	V64 A91 V92 A95	V64-A109 HydrophobicContact CG1-CB 4.32Å; A91-A109 HydrophobicContact CB-CB 4.15Å; V92-A109 HydrophobicContact CB-CB 4.42Å; V92-A109 HydrophobicContact CG2-CB 3.97Å; A95-A109 HydrophobicContact CB-CB 3.98Å
110	I	84.9	Confident	70.9	Confident	23 Å²	23	79.6 Å²	79.6	12%	0.118	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.9	175.9	-61.8	170.4	0	0	0	107.3	L39 H63 V64 I65 V136	L39-I110 HydrophobicContact CD1-CD1 4.41Å; H63-I110 HydrophobicContact CB-CD1 4.08Å; V64-I110 PolarHBondContact O-N 3.04Å; I65-I110 HydrophobicContact CD1-CD1 4.18Å; I65-I110 HydrophobicContact CD1-CG2 4.32Å; I65-I110 HydrophobicContact CG1-CB 3.63Å; I65-I110 HydrophobicContact CG1-CD1 3.89Å; I65-I110 HydrophobicContact CG1-CG1 4.31Å; I65-I110 HydrophobicContact CG1-CG2 3.82Å; I110-V136 HydrophobicContact CD1-CG1 3.83Å
111	E	72.3	Confident	68	Low	74 Å²	74	82.8 Å²	82.8	35%	0.346	45%	0.454	S	S	.	.			trans	-109	140.2	176.5	-59.6	-171.1	93.3	0	0	110.3	S89 V92 K113	S89-E111 WeakPolarHBondContact CB-OE1 3.2Å; S89-E111 PolarHBondContact OG-OE1 2.96Å; V92-E111 HydrophobicContact CG2-CG 3.89Å; V92-E111 WeakPolarHBondContact CG2-OE2 3.2Å; E111-K113 PolarHBondContact O-N 3.45Å; E111-K113 VanDerWaalsContact O-N 3.07Å
112	D	58.6	Low	65.5	Low	82 Å²	82	76.8 Å²	76.8	44%	0.439	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.7	178.8	-169.2	15.7	0	0	0	113	M67 D114 C132	M67-D112 HydrophobicContact CG-CB 4.44Å; D112-D114 VanDerWaalsContact C-N 3.26Å; D112-D114 PolarHBondContact O-N 2.88Å; D112-C132 PolarHBondContact OD1-SG 3.13Å
113	K	50.7	Low	62.5	Low	175 Å²	175	88.2 Å²	88.2	76%	0.761	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.7	-175.8	-68.3	-179.1	-177.8	169.8	0	114.6	E111 S115	E111-K113 PolarHBondContact O-N 3.45Å; E111-K113 VanDerWaalsContact O-N 3.07Å; K113-S115 PolarHBondContact O-N 3.49Å
114	D	45.8	Very low	59.7	Low	72 Å²	72	90.7 Å²	90.7	39%	0.385	49%	0.487	S	S	.	.			trans	-83.3	65.7	-174.6	-151.8	-12.2	0	0	0	113	D112 S116 F117 Y118	D112-D114 VanDerWaalsContact C-N 3.26Å; D112-D114 PolarHBondContact O-N 2.88Å; D114-S116 PolarHBondContact O-N 3.38Å; D114-S116 PolarHBondContact OD1-N 3.39Å; D114-S116 PolarHBondContact OD1-OG 2.93Å; D114-F117 HydrophobicContact CB-CB 4.21Å; D114-F117 PolarHBondContact O-N 3.06Å; D114-F117 VanDerWaalsContact O-N 3.09Å; D114-Y118 WeakPolarHBondContact O-CD2 3.22Å; D114-Y118 VanDerWaalsContact O-CE2 3.23Å; D114-Y118 WeakPolarHBondContact O-CE2 3.19Å
115	S	38.6	Very low	57.2	Low	97 Å²	97	93.9 Å²	93.9	68%	0.678	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-16.2	172.8	55.1	0	0	0	0	114.1	K113	K113-S115 PolarHBondContact O-N 3.49Å
116	S	39.3	Very low	54.2	Low	80 Å²	80	99.8 Å²	99.8	56%	0.559	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-28.9	178.1	79.8	0	0	0	0	113.3	D114 Y118	D114-S116 PolarHBondContact O-N 3.38Å; D114-S116 PolarHBondContact OD1-N 3.39Å; D114-S116 PolarHBondContact OD1-OG 2.93Å; S116-Y118 PolarHBondContact O-N 3.4Å
117	F	42.2	Very low	51.1	Low	144 Å²	144	105.8 Å²	105.8	63%	0.632	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.2	178.5	-165.9	-98.8	0	0	0	112.9	D114	D114-F117 HydrophobicContact CB-CB 4.21Å; D114-F117 PolarHBondContact O-N 3.06Å; D114-F117 VanDerWaalsContact O-N 3.09Å
118	Y	40.9	Very low	48.1	Very low	64 Å²	64	115.6 Å²	115.6	25%	0.251	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.7	8.2	-167.6	-56.6	-72.5	0	0	0	115.8	D114 S116 G120 C132 V136	D114-Y118 WeakPolarHBondContact O-CD2 3.22Å; D114-Y118 VanDerWaalsContact O-CE2 3.23Å; D114-Y118 WeakPolarHBondContact O-CE2 3.19Å; S116-Y118 PolarHBondContact O-N 3.4Å; Y118-G120 PolarHBondContact O-N 3.05Å; Y118-C132 HydrophobicContact CE1-CB 4.35Å; Y118-V136 HydrophobicContact CE1-CG2 4.15Å
119	Q	35.6	Very low	45.6	Very low	172 Å²	172	118.6 Å²	118.6	80%	0.804	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	4.7	-172.8	-68.7	-171	-0.6	0	0	115.9
120	G	35	Very low	43.4	Very low	60 Å²	60	118.1 Å²	118.1	62%	0.619	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-43.3	-172.2	0	0	0	0	0	117.6	Y118	Y118-G120 PolarHBondContact O-N 3.05Å
121	N	36	Very low	41.7	Very low	156 Å²	156	120.5 Å²	120.5	83%	0.834	59%	0.589	S	S	*	*	S	Bend	trans	-151.8	14.8	-152.9	-87.2	-34.9	0	0	0	119.6
122	L	42.9	Very low	40.6	Very low	75 Å²	75	117.6 Å²	117.6	39%	0.393	58%	0.577	S	S	.	*			trans	-140.5	81.2	-178.8	-70.6	-179.6	0	0	0	113.9	I131 P135	L122-I131 HydrophobicContact CD1-CG2 3.85Å; L122-P135 HydrophobicContact CD1-CG 3.17Å; L122-P135 HydrophobicContact CG-CG 4.13Å
123	R	33.7	Very low	40.3	Very low	248 Å²	248	114.4 Å²	114.4	94%	0.936	56%	0.56	S	S	*	*	S	Bend	trans	-91.3	-3.2	176.1	-76.6	-174.7	176	171.8	0.2	115.7
124	N	32.3	Very low	40.4	Very low	148 Å²	148	107.9 Å²	107.9	79%	0.791	54%	0.535	S	S	*	.			trans	-126.2	15.7	-164.8	-75.4	-6.2	0	0	0	117.7
125	F	36.9	Very low	40.6	Very low	123 Å²	123	106.3 Å²	106.3	54%	0.539	53%	0.529	S	S	.	.			trans	-104.7	115.3	176	-84.7	-84.6	0	0	0	112.2	I131	F125-I131 HydrophobicContact CB-CD1 4.27Å; F125-I131 HydrophobicContact CB-CG1 4.4Å; F125-I131 WeakPolarHBondContact O-CD1 3.12Å
126	V	32.3	Very low	41.5	Very low	133 Å²	133	102 Å²	102	81%	0.806	50%	0.498	S	S	*	.			trans	-64.6	136.6	-179.1	175.1	0	0	0	0	111.1
127	Y	30.2	Very low	42.2	Very low	209 Å²	209	98.2 Å²	98.2	82%	0.82	47%	0.472	S	S	*	.	S	Bend	trans	-43.3	119.1	178.7	-72.8	-100.3	0	0	0	115.4
128	Y	35	Very low	42.8	Very low	205 Å²	205	98.7 Å²	98.7	80%	0.804	47%	0.469	S	S	*	.	S	Bend	trans	174.3	118.4	135.2	-112.5	-93.6	0	0	0	107.7
129	Y	40.6	Very low	43.4	Very low	117 Å²	117	99.1 Å²	99.1	46%	0.459	49%	0.486	S	S	.	.	S	Bend	trans	71.1	145.3	-170.6	-79.5	-94.1	0	0	0	116.2	M67 I131	M67-Y129 HydrophobicContact CE-CD1 4.43Å; Y129-I131 PolarHBondContact O-N 2.93Å
130	P	47.9	Very low	44.7	Very low	23 Å²	23	93 Å²	93	15%	0.149	46%	0.459	C	S	.	.			trans	-67.4	123.8	-154.9	-11.4	23	0	0	0	111.9	M67 C132 W157	M67-P130 HydrophobicContact CE-CG 3.55Å; M67-P130 HydrophobicContact CG-CG 4.37Å; M67-P130 HydrophobicContact SD-CB 4.48Å; M67-P130 HydrophobicContact SD-CG 3.14Å; M67-P130 WeakPolarHBondContact SD-CG 3.33Å; P130-C132 HydrophobicContact CB-CB 4.35Å; P130-C132 WeakPolarHBondContact CB-SG 3.46Å; P130-C132 PolarHBondContact O-N 3.18Å; P130-W157 WeakPolarHBondContact O-CH2 3.21Å; P130-W157 WeakPolarHBondContact O-CZ2 3.47Å
131	I	47.9	Very low	46.7	Very low	73 Å²	73	95.7 Å²	95.7	37%	0.374	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	1.8	174.8	-75	161	0	0	0	112.8	L122 F125 Y129 P135	L122-I131 HydrophobicContact CD1-CG2 3.85Å; F125-I131 HydrophobicContact CB-CD1 4.27Å; F125-I131 HydrophobicContact CB-CG1 4.4Å; F125-I131 WeakPolarHBondContact O-CD1 3.12Å; Y129-I131 PolarHBondContact O-N 2.93Å; I131-P135 WeakPolarHBondContact O-CD 3.48Å
132	C	49.6	Very low	49	Very low	13 Å²	13	88.6 Å²	88.6	9%	0.088	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.8	-172.8	-41	0	0	0	0	114.4	D112 Y118 P130 V134 P135 V136	D112-C132 PolarHBondContact OD1-SG 3.13Å; Y118-C132 HydrophobicContact CE1-CB 4.35Å; P130-C132 HydrophobicContact CB-CB 4.35Å; P130-C132 WeakPolarHBondContact CB-SG 3.46Å; P130-C132 PolarHBondContact O-N 3.18Å; C132-V134 PolarHBondContact O-N 3.11Å; C132-P135 WeakPolarHBondContact O-CD 3.1Å; C132-V136 VanDerWaalsContact O-CB 3.24Å; C132-V136 WeakPolarHBondContact O-CB 3.33Å; C132-V136 WeakPolarHBondContact O-CG2 3.3Å; C132-V136 PolarHBondContact O-N 2.98Å
133	I	53	Low	51	Low	15 Å²	15	87.7 Å²	87.7	8%	0.077	42%	0.416	C	S	.	.	H	α-helix	trans	-78	-27.1	-167.3	-54.8	176.6	0	0	0	112.3	L39 I41 I65 V136 C137 W157 I158	L39-I133 HydrophobicContact CD2-CG2 4.38Å; I41-I133 HydrophobicContact CD1-CD1 4.28Å; I65-I133 HydrophobicContact CD1-CD1 3.87Å; I65-I133 HydrophobicContact CD1-CG1 3.77Å; I133-V136 PolarHBondContact O-N 2.7Å; I133-C137 HydrophobicContact CG2-CB 4.44Å; I133-C137 WeakPolarHBondContact CG2-SG 3.34Å; I133-C137 WeakPolarHBondContact O-CB 3.37Å; I133-C137 PolarHBondContact O-N 3.32Å; I133-W157 HydrophobicContact CB-CH2 3.46Å; I133-W157 VanDerWaalsContact CB-CH2 3.46Å; I133-W157 HydrophobicContact CB-CZ3 3.57Å; I133-W157 HydrophobicContact CD1-CE3 4.42Å; I133-W157 HydrophobicContact CD1-CH2 3.94Å; I133-W157 HydrophobicContact CD1-CZ3 3.42Å; I133-W157 VanDerWaalsContact CD1-CZ3 3.42Å; I133-W157 HydrophobicContact CG1-CH2 3.76Å; I133-W157 HydrophobicContact CG1-CZ3 3.75Å; I133-W157 HydrophobicContact CG2-CZ3 4.3Å; I133-I158 HydrophobicContact CG2-CD1 4.04Å
134	V	51.6	Low	53.5	Low	39 Å²	39	76 Å²	76	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-62.6	-52.5	-179.1	-178	0	0	0	0	112.7	C132 R138 M161	C132-V134 PolarHBondContact O-N 3.11Å; V134-R138 PolarHBondContact O-N 3.15Å; V134-M161 VanDerWaalsContact CA-CE 3.47Å; V134-M161 HydrophobicContact CB-CE 4.19Å; V134-M161 HydrophobicContact CG1-CE 4.36Å; V134-M161 HydrophobicContact CG2-CE 4.15Å; V134-M161 HydrophobicContact CG2-CG 3.63Å
135	P	51.4	Low	56.3	Low	39 Å²	39	69 Å²	69	25%	0.253	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-43.2	171.1	-22.7	33.8	0	0	0	112.2	L122 I131 C132 C137 R138 A139	L122-P135 HydrophobicContact CD1-CG 3.17Å; L122-P135 HydrophobicContact CG-CG 4.13Å; I131-P135 WeakPolarHBondContact O-CD 3.48Å; C132-P135 WeakPolarHBondContact O-CD 3.1Å; P135-C137 PolarHBondContact O-N 3.09Å; P135-R138 CarbonylContact O-C 3.59Å; P135-R138 PolarHBondContact O-N 3.44Å; P135-A139 WeakPolarHBondContact O-CA 3.44Å; P135-A139 WeakPolarHBondContact O-CB 3.46Å; P135-A139 PolarHBondContact O-N 3.11Å
136	V	57	Low	58.9	Low	5 Å²	5	63.1 Å²	63.1	3%	0.03	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-45.2	-174.1	164.9	0	0	0	0	111.3	I110 Y118 C132 I133 A139 L140 F142	I110-V136 HydrophobicContact CD1-CG1 3.83Å; Y118-V136 HydrophobicContact CE1-CG2 4.15Å; C132-V136 VanDerWaalsContact O-CB 3.24Å; C132-V136 WeakPolarHBondContact O-CB 3.33Å; C132-V136 WeakPolarHBondContact O-CG2 3.3Å; C132-V136 PolarHBondContact O-N 2.98Å; I133-V136 PolarHBondContact O-N 2.7Å; V136-A139 PolarHBondContact O-N 3.43Å; V136-L140 HydrophobicContact CG1-CD1 3.77Å; V136-L140 VanDerWaalsContact O-CB 3.23Å; V136-L140 WeakPolarHBondContact O-CB 3.46Å; V136-L140 VanDerWaalsContact O-CG 3.28Å; V136-L140 WeakPolarHBondContact O-CG 3.13Å; V136-L140 PolarHBondContact O-N 3.3Å; V136-F142 HydrophobicContact CG1-CE2 3.98Å; V136-F142 HydrophobicContact CG1-CZ 4.45Å
137	C	54.2	Low	61.8	Low	2 Å²	2	56.8 Å²	56.8	1%	0.014	27%	0.271	C	S	.	.	H	α-helix	trans	-69.1	-35.5	175.9	-74.3	0	0	0	0	113.1	I133 P135 M161 L165	I133-C137 HydrophobicContact CG2-CB 4.44Å; I133-C137 WeakPolarHBondContact CG2-SG 3.34Å; I133-C137 WeakPolarHBondContact O-CB 3.37Å; I133-C137 PolarHBondContact O-N 3.32Å; P135-C137 PolarHBondContact O-N 3.09Å; C137-M161 HydrophobicContact CB-CE 3.36Å; C137-M161 HydrophobicContact CB-SD 4.32Å; C137-L165 HydrophobicContact CB-CD1 4.05Å
138	R	54.8	Low	64.8	Low	154 Å²	154	47.4 Å²	47.4	58%	0.581	24%	0.238	S	C	*	.	H	α-helix	trans	-73.3	-30.7	174.8	-78.6	-171.4	176.8	153.1	1	113.3	V134 P135 R164 L165	V134-R138 PolarHBondContact O-N 3.15Å; P135-R138 CarbonylContact O-C 3.59Å; P135-R138 PolarHBondContact O-N 3.44Å; R138-R164 PolarHBondContact NH2-O 3Å; R138-L165 HydrophobicContact CG-CD2 3.51Å; R138-L165 VanDerWaalsContact NE-CD2 3.34Å
139	A	54.1	Low	67.4	Low	72 Å²	72	39 Å²	39	60%	0.595	21%	0.206	S	C	*	.	H	α-helix	trans	-86.1	-26.7	-175.9	0	0	0	0	0	112.4	P135 V136	P135-A139 WeakPolarHBondContact O-CA 3.44Å; P135-A139 WeakPolarHBondContact O-CB 3.46Å; P135-A139 PolarHBondContact O-N 3.11Å; V136-A139 PolarHBondContact O-N 3.43Å
140	L	63.1	Low	69.4	Low	44 Å²	44	39.7 Å²	39.7	23%	0.23	22%	0.218	C	C	.	.	H	α-helix	trans	-102.8	-10.8	-171.7	-62.5	178.4	0	0	0	114.7	K37 V136 F142	K37-L140 WeakPolarHBondContact CD-O 3.18Å; K37-L140 PolarHBondContact NZ-O 3.34Å; V136-L140 HydrophobicContact CG1-CD1 3.77Å; V136-L140 VanDerWaalsContact O-CB 3.23Å; V136-L140 WeakPolarHBondContact O-CB 3.46Å; V136-L140 VanDerWaalsContact O-CG 3.28Å; V136-L140 WeakPolarHBondContact O-CG 3.13Å; V136-L140 PolarHBondContact O-N 3.3Å; L140-F142 HydrophobicContact CB-CD2 4.13Å; L140-F142 HydrophobicContact CB-CE1 4.28Å; L140-F142 HydrophobicContact CB-CE2 3.65Å; L140-F142 HydrophobicContact CB-CZ 3.74Å; L140-F142 HydrophobicContact CD1-CE1 4.36Å; L140-F142 HydrophobicContact CD1-CE2 3.75Å; L140-F142 HydrophobicContact CD1-CZ 3.4Å; L140-F142 VanDerWaalsContact CD1-CZ 3.4Å; L140-F142 HydrophobicContact CG-CE2 4.29Å; L140-F142 HydrophobicContact CG-CZ 4.23Å; L140-F142 PolarHBondContact O-N 3.17Å
141	D	76.7	Confident	71	Confident	117 Å²	117	40.1 Å²	40.1	63%	0.626	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	56.5	-179.7	-71.3	-39.5	0	0	0	112.3	N143	D141-N143 PolarHBondContact O-N 2.91Å
142	F	84.2	Confident	72.7	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.031	22%	0.22	C	C	.	.			trans	-64.2	134.4	176.9	-67.5	-68.6	0	0	0	111.2	K37 L39 H63 V136 L140 V144	K37-F142 HydrophobicContact CB-CD1 4.06Å; L39-F142 HydrophobicContact CB-CD1 3.81Å; L39-F142 HydrophobicContact CB-CD2 3.96Å; L39-F142 HydrophobicContact CB-CE1 3.84Å; L39-F142 HydrophobicContact CB-CE2 3.98Å; L39-F142 HydrophobicContact CB-CG 3.87Å; L39-F142 HydrophobicContact CB-CZ 3.91Å; L39-F142 HydrophobicContact CD1-CE1 4.47Å; L39-F142 HydrophobicContact CD1-CE2 4.3Å; L39-F142 HydrophobicContact CD1-CZ 3.97Å; L39-F142 HydrophobicContact CD2-CD2 4.21Å; L39-F142 HydrophobicContact CD2-CE2 3.97Å; L39-F142 HydrophobicContact CD2-CZ 4.46Å; L39-F142 HydrophobicContact CG-CE2 4.31Å; L39-F142 HydrophobicContact CG-CZ 4.33Å; H63-F142 HydrophobicContact CB-CE1 3.7Å; H63-F142 HydrophobicContact CB-CZ 3.76Å; H63-F142 AromaticContact CD2-CE1 3.65Å; H63-F142 AromaticContact CG-CE1 3.63Å; H63-F142 AromaticContact CG-CZ 3.73Å; V136-F142 HydrophobicContact CG1-CE2 3.98Å; V136-F142 HydrophobicContact CG1-CZ 4.45Å; L140-F142 HydrophobicContact CB-CD2 4.13Å; L140-F142 HydrophobicContact CB-CE1 4.28Å; L140-F142 HydrophobicContact CB-CE2 3.65Å; L140-F142 HydrophobicContact CB-CZ 3.74Å; L140-F142 HydrophobicContact CD1-CE1 4.36Å; L140-F142 HydrophobicContact CD1-CE2 3.75Å; L140-F142 HydrophobicContact CD1-CZ 3.4Å; L140-F142 VanDerWaalsContact CD1-CZ 3.4Å; L140-F142 HydrophobicContact CG-CE2 4.29Å; L140-F142 HydrophobicContact CG-CZ 4.23Å; L140-F142 PolarHBondContact O-N 3.17Å; F142-V144 VanDerWaalsContact C-N 3.34Å
143	N	84.8	Confident	74.1	Confident	56 Å²	56	41.8 Å²	41.8	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-76.2	-26.7	175.2	-59.7	102.9	0	0	0	111.9	K37 D141 P181	K37-N143 PolarHBondContact N-OD1 2.69Å; K37-N143 PolarHBondContact O-N 2.86Å; D141-N143 PolarHBondContact O-N 2.91Å; N143-P181 WeakPolarHBondContact O-CD 3.4Å
144	V	86.5	Confident	75.4	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	153.6	178.8	62.3	0	0	0	0	110.8	I38 L39 F142 V146 P181 V183 Y328	I38-V144 HydrophobicContact CB-CG1 4.18Å; I38-V144 HydrophobicContact CD1-CG1 4.35Å; I38-V144 HydrophobicContact CG1-CG1 3.75Å; I38-V144 HydrophobicContact CG2-CG1 3.95Å; L39-V144 PolarHBondContact N-O 3.18Å; L39-V144 VanDerWaalsContact N-O 3.11Å; F142-V144 VanDerWaalsContact C-N 3.34Å; V144-V146 HydrophobicContact CG2-CG2 4.24Å; V144-P181 HydrophobicContact CG2-CB 4.33Å; V144-V183 HydrophobicContact CG2-CG2 4.38Å; V144-Y328 HydrophobicContact CB-CD2 3.85Å; V144-Y328 HydrophobicContact CB-CE2 3.54Å; V144-Y328 HydrophobicContact CG1-CD2 3.63Å; V144-Y328 HydrophobicContact CG1-CE1 4.08Å; V144-Y328 HydrophobicContact CG1-CE2 3.09Å; V144-Y328 HydrophobicContact CG1-CG 4.34Å; V144-Y328 HydrophobicContact CG2-CD2 3.65Å; V144-Y328 HydrophobicContact CG2-CE2 3.91Å; V144-Y328 HydrophobicContact CG2-CG 4.43Å
145	I	90	Very high	77.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.1	165.6	-55.5	-173.5	0	0	0	108.7	L39 I41 I158 L162 I180 P181 L182 V183	L39-I145 HydrophobicContact CB-CG1 4.21Å; L39-I145 HydrophobicContact CB-CG2 4.49Å; L39-I145 HydrophobicContact CD2-CD1 4.17Å; L39-I145 HydrophobicContact CD2-CG1 4.37Å; L39-I145 HydrophobicContact CD2-CG2 4.45Å; L39-I145 CarbonylContact O-C 3.55Å; L39-I145 WeakPolarHBondContact O-CA 3.46Å; I41-I145 HydrophobicContact CD1-CG2 3.49Å; I41-I145 VanDerWaalsContact CD1-CG2 3.49Å; I41-I145 HydrophobicContact CG1-CG2 3.86Å; I145-I158 HydrophobicContact CD1-CD1 4.08Å; I145-L162 HydrophobicContact CD1-CD1 4.34Å; I145-L162 HydrophobicContact CD1-CD2 3.66Å; I145-L162 HydrophobicContact CD1-CG 4.33Å; I145-I180 HydrophobicContact CD1-CG2 4.28Å; I145-I180 HydrophobicContact CG1-CG2 3.88Å; I145-P181 PolarHBondContact N-O 3.1Å; I145-L182 HydrophobicContact CB-CD1 4.1Å; I145-L182 HydrophobicContact CG2-CD1 3.83Å; I145-L182 CarbonylContact O-C 3.49Å; I145-L182 VanDerWaalsContact O-CA 3.32Å; I145-L182 WeakPolarHBondContact O-CA 3.01Å; I145-V183 PolarHBondContact O-N 3.26Å
146	V	92.8	Very high	78.9	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.9	172.3	-166.3	0	0	0	0	108.3	I38 L39 V40 I41 L50 V144 V183 Q324	I38-V146 HydrophobicContact CG2-CG2 4.22Å; L39-V146 PolarHBondContact O-N 3Å; V40-V146 CarbonylContact C-O 3.48Å; V40-V146 VanDerWaalsContact CA-O 3.32Å; V40-V146 WeakPolarHBondContact CA-O 3.35Å; I41-V146 PolarHBondContact N-O 3.08Å; L50-V146 HydrophobicContact CD1-CB 4.49Å; L50-V146 HydrophobicContact CD1-CG1 3.65Å; L50-V146 HydrophobicContact CD2-CG1 3.66Å; L50-V146 HydrophobicContact CG-CG1 4.25Å; V144-V146 HydrophobicContact CG2-CG2 4.24Å; V146-V183 WeakPolarHBondContact CA-O 3.28Å; V146-V183 HydrophobicContact CG1-CB 4.29Å; V146-V183 WeakPolarHBondContact CG1-O 3.23Å; V146-V183 HydrophobicContact CG2-CB 4.5Å; V146-Q324 HydrophobicContact CG1-CB 4.41Å
147	S	93.1	Very high	80.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.2	-174	162.1	0	0	0	0	110.9	L149 V183 D184 G185 Q324	S147-L149 WeakPolarHBondContact OG-CD1 3.14Å; S147-L149 WeakPolarHBondContact OG-CG 3.24Å; S147-L149 PolarHBondContact OG-N 3.03Å; S147-V183 PolarHBondContact N-O 3.33Å; S147-D184 VanDerWaalsContact CB-OD1 3.28Å; S147-D184 WeakPolarHBondContact CB-OD1 3.39Å; S147-D184 PolarHBondContact OG-OD1 3.48Å; S147-G185 PolarHBondContact O-N 3.29Å; S147-Q324 PolarHBondContact O-NE2 3.02Å
148	G	91.9	Very high	81.4	Confident	12 Å²	12	46.5 Å²	46.5	12%	0.124	25%	0.247	C	C	.	.			trans	-122.6	41.5	167.1	0	0	0	0	0	111.7	I41 L46	I41-G148 PolarHBondContact O-N 2.77Å; L46-G148 VanDerWaalsContact CD2-CA 3.48Å
149	L	89.5	Confident	83	Confident	27 Å²	27	39.3 Å²	39.3	14%	0.141	22%	0.22	C	C	.	.			trans	-67.7	158.7	-179.1	-71.2	170.5	0	0	0	112.4	I41 S147 A154 R155 I158	I41-L149 HydrophobicContact CG2-CD1 4.21Å; I41-L149 HydrophobicContact CG2-CD2 3.61Å; I41-L149 HydrophobicContact CG2-CG 3.97Å; S147-L149 WeakPolarHBondContact OG-CD1 3.14Å; S147-L149 WeakPolarHBondContact OG-CG 3.24Å; S147-L149 PolarHBondContact OG-N 3.03Å; L149-A154 HydrophobicContact CB-CB 4.49Å; L149-A154 HydrophobicContact CD1-CB 3.81Å; L149-A154 HydrophobicContact CD2-CB 3.83Å; L149-A154 HydrophobicContact CG-CB 4.27Å; L149-R155 HydrophobicContact CB-CG 4.06Å; L149-R155 HydrophobicContact CD1-CG 4.04Å; L149-R155 PolarHBondContact O-NH1 3.09Å; L149-R155 VanDerWaalsContact O-NH1 3.15Å; L149-R155 PolarHBondContact O-NH2 3.12Å; L149-I158 HydrophobicContact CD1-CG2 4.12Å
150	D	82.8	Confident	84.4	Confident	132 Å²	132	39.4 Å²	39.4	71%	0.706	21%	0.21	S	C	*	.	S	Bend	trans	-114	-6	-176.9	67.1	-17	0	0	0	113.5
151	S	81.3	Confident	85.2	Confident	33 Å²	33	37.6 Å²	37.6	23%	0.231	20%	0.201	C	C	.	.			trans	-125.1	147.9	-179.9	69.7	0	0	0	0	112.8	A153 A154 R155	S151-A153 VanDerWaalsContact C-N 3.31Å; S151-A154 VanDerWaalsContact OG-CB 3.23Å; S151-A154 WeakPolarHBondContact OG-CB 3.23Å; S151-A154 PolarHBondContact OG-N 3.39Å; S151-R155 WeakPolarHBondContact O-CG 2.97Å; S151-R155 PolarHBondContact O-N 2.63Å; S151-R155 PolarHBondContact O-NH1 3.34Å
152	I	84.9	Confident	85.5	Confident	66 Å²	66	32.1 Å²	32.1	34%	0.338	17%	0.172	S	C	.	.	H	α-helix	trans	-65.4	-39.7	173.3	-61.2	173.9	0	0	0	109.6	A154 R155 R156 I209 Y212	I152-A154 PolarHBondContact O-N 3.3Å; I152-R155 PolarHBondContact O-N 3.26Å; I152-R156 HydrophobicContact CG2-CG 4.1Å; I152-R156 WeakPolarHBondContact O-CG 3.18Å; I152-R156 PolarHBondContact O-N 3.23Å; I152-I209 HydrophobicContact CG2-CD1 3.94Å; I152-Y212 HydrophobicContact CD1-CD1 3.72Å; I152-Y212 HydrophobicContact CD1-CD2 4.18Å; I152-Y212 HydrophobicContact CD1-CE1 4.29Å; I152-Y212 HydrophobicContact CD1-CG 3.64Å; I152-Y212 HydrophobicContact CG1-CD1 3.77Å; I152-Y212 HydrophobicContact CG1-CD2 4.39Å; I152-Y212 HydrophobicContact CG1-CE1 3.81Å; I152-Y212 HydrophobicContact CG1-CE2 4.41Å; I152-Y212 HydrophobicContact CG1-CG 4.06Å; I152-Y212 HydrophobicContact CG2-CE2 4.43Å
153	A	79.1	Confident	85.6	Confident	54 Å²	54	33.3 Å²	33.3	45%	0.446	18%	0.179	S	C	.	.	H	α-helix	trans	-57.6	-47.3	179.7	0	0	0	0	0	112.3	S151 R155 R156 W157	S151-A153 VanDerWaalsContact C-N 3.31Å; A153-R155 PolarHBondContact O-N 2.84Å; A153-R156 PolarHBondContact O-N 3.34Å; A153-W157 WeakPolarHBondContact O-CB 3.32Å; A153-W157 PolarHBondContact O-N 3.32Å
154	A	80.4	Confident	85.4	Confident	13 Å²	13	38.1 Å²	38.1	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-39.7	177.1	0	0	0	0	0	112.2	L149 S151 I152 W157 I158	L149-A154 HydrophobicContact CB-CB 4.49Å; L149-A154 HydrophobicContact CD1-CB 3.81Å; L149-A154 HydrophobicContact CD2-CB 3.83Å; L149-A154 HydrophobicContact CG-CB 4.27Å; S151-A154 VanDerWaalsContact OG-CB 3.23Å; S151-A154 WeakPolarHBondContact OG-CB 3.23Å; S151-A154 PolarHBondContact OG-N 3.39Å; I152-A154 PolarHBondContact O-N 3.3Å; A154-W157 WeakPolarHBondContact O-CB 3.3Å; A154-W157 PolarHBondContact O-N 2.88Å; A154-I158 PolarHBondContact O-N 3.26Å
155	R	88.3	Confident	85.2	Confident	13 Å²	13	38.8 Å²	38.8	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-43.7	175.7	-72.6	-178.9	176.1	85.2	-3.5	112.7	L149 S151 I152 A153 W157 I158 N159 D184 G185 V205 Y212	L149-R155 HydrophobicContact CB-CG 4.06Å; L149-R155 HydrophobicContact CD1-CG 4.04Å; L149-R155 PolarHBondContact O-NH1 3.09Å; L149-R155 VanDerWaalsContact O-NH1 3.15Å; L149-R155 PolarHBondContact O-NH2 3.12Å; S151-R155 WeakPolarHBondContact O-CG 2.97Å; S151-R155 PolarHBondContact O-N 2.63Å; S151-R155 PolarHBondContact O-NH1 3.34Å; I152-R155 PolarHBondContact O-N 3.26Å; A153-R155 PolarHBondContact O-N 2.84Å; R155-W157 VanDerWaalsContact C-N 3.28Å; R155-W157 PolarHBondContact O-N 3.23Å; R155-I158 VanDerWaalsContact O-CG2 3.24Å; R155-I158 WeakPolarHBondContact O-CG2 3.27Å; R155-N159 VanDerWaalsContact O-CB 3.23Å; R155-N159 WeakPolarHBondContact O-CB 3.28Å; R155-N159 PolarHBondContact O-N 2.93Å; R155-D184 WeakPolarHBondContact CD-OD2 3.29Å; R155-D184 IonicContact NE-OD1 2.79Å; R155-D184 PolarHBondContact NE-OD1 2.83Å; R155-D184 IonicContact NE-OD2 2.73Å; R155-D184 PolarHBondContact NE-OD2 2.99Å; R155-G185 PolarHBondContact NH2-O 3.41Å; R155-V205 HydrophobicContact CB-CG1 4.06Å; R155-V205 HydrophobicContact CB-CG2 4.47Å; R155-Y212 WeakPolarHBondContact CD-OH 3.36Å
156	R	86.8	Confident	84.9	Confident	110 Å²	110	39.7 Å²	39.7	42%	0.415	20%	0.201	S	C	.	.	H	α-helix	trans	-61.8	-39.4	174.1	-66.9	-177.6	76.9	179.7	13	111.3	I152 A153 N159 N160 V205 E206	I152-R156 HydrophobicContact CG2-CG 4.1Å; I152-R156 WeakPolarHBondContact O-CG 3.18Å; I152-R156 PolarHBondContact O-N 3.23Å; A153-R156 PolarHBondContact O-N 3.34Å; R156-N159 WeakPolarHBondContact O-CB 3.44Å; R156-N159 PolarHBondContact O-N 2.92Å; R156-N160 WeakPolarHBondContact O-CB 3.15Å; R156-N160 VanDerWaalsContact O-CG 3.23Å; R156-N160 PolarHBondContact O-N 2.77Å; R156-N160 PolarHBondContact O-ND2 2.79Å; R156-V205 HydrophobicContact CG-CG1 4.22Å; R156-E206 WeakPolarHBondContact CG-OE1 3.35Å; R156-E206 IonicContact CZ-OE1 3.01Å; R156-E206 IonicContact CZ-OE2 2.95Å; R156-E206 IonicContact NE-OE1 3.43Å; R156-E206 PolarHBondContact NE-OE1 3.28Å; R156-E206 IonicContact NE-OE2 2.74Å; R156-E206 PolarHBondContact NE-OE2 3.24Å; R156-E206 IonicContact NH2-OE1 2.95Å; R156-E206 PolarHBondContact NH2-OE1 3.34Å; R156-E206 IonicContact NH2-OE2 3.24Å; R156-E206 PolarHBondContact NH2-OE2 3.49Å
157	W	81.9	Confident	84.5	Confident	61 Å²	61	46.3 Å²	46.3	23%	0.231	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-51.3	179.4	-173.9	97	0	0	0	112.3	P130 I133 A153 A154 R155 N159 N160 M161	P130-W157 WeakPolarHBondContact O-CH2 3.21Å; P130-W157 WeakPolarHBondContact O-CZ2 3.47Å; I133-W157 HydrophobicContact CB-CH2 3.46Å; I133-W157 VanDerWaalsContact CB-CH2 3.46Å; I133-W157 HydrophobicContact CB-CZ3 3.57Å; I133-W157 HydrophobicContact CD1-CE3 4.42Å; I133-W157 HydrophobicContact CD1-CH2 3.94Å; I133-W157 HydrophobicContact CD1-CZ3 3.42Å; I133-W157 VanDerWaalsContact CD1-CZ3 3.42Å; I133-W157 HydrophobicContact CG1-CH2 3.76Å; I133-W157 HydrophobicContact CG1-CZ3 3.75Å; I133-W157 HydrophobicContact CG2-CZ3 4.3Å; A153-W157 WeakPolarHBondContact O-CB 3.32Å; A153-W157 PolarHBondContact O-N 3.32Å; A154-W157 WeakPolarHBondContact O-CB 3.3Å; A154-W157 PolarHBondContact O-N 2.88Å; R155-W157 VanDerWaalsContact C-N 3.28Å; R155-W157 PolarHBondContact O-N 3.23Å; W157-N159 VanDerWaalsContact C-N 3.28Å; W157-N159 PolarHBondContact O-N 2.9Å; W157-N160 PolarHBondContact O-N 2.97Å; W157-M161 WeakPolarHBondContact O-CB 3.44Å; W157-M161 PolarHBondContact O-N 2.87Å
158	I	83.3	Confident	84.2	Confident	2 Å²	2	52 Å²	52	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-36.2	178.3	-175.1	61.4	0	0	0	111.3	I41 I133 I145 L149 A154 R155 M161 L162 L182	I41-I158 HydrophobicContact CD1-CB 4.41Å; I41-I158 HydrophobicContact CD1-CD1 3.61Å; I41-I158 HydrophobicContact CD1-CG1 3.69Å; I133-I158 HydrophobicContact CG2-CD1 4.04Å; I145-I158 HydrophobicContact CD1-CD1 4.08Å; L149-I158 HydrophobicContact CD1-CG2 4.12Å; A154-I158 PolarHBondContact O-N 3.26Å; R155-I158 VanDerWaalsContact O-CG2 3.24Å; R155-I158 WeakPolarHBondContact O-CG2 3.27Å; I158-M161 HydrophobicContact CD1-SD 4.48Å; I158-M161 WeakPolarHBondContact O-CB 3.35Å; I158-M161 PolarHBondContact O-N 3.03Å; I158-L162 HydrophobicContact CD1-CG 4.41Å; I158-L162 HydrophobicContact CG1-CD1 4.38Å; I158-L162 HydrophobicContact CG1-CG 4.47Å; I158-L162 WeakPolarHBondContact O-CG 3.22Å; I158-L162 PolarHBondContact O-N 3.31Å; I158-L182 HydrophobicContact CG2-CD2 4.27Å
159	N	87.5	Confident	84.1	Confident	3 Å²	3	55 Å²	55	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-52	173.9	-177.7	82.4	0	0	0	112.2	R155 R156 W157 M161 L162 V163 C204 V205	R155-N159 VanDerWaalsContact O-CB 3.23Å; R155-N159 WeakPolarHBondContact O-CB 3.28Å; R155-N159 PolarHBondContact O-N 2.93Å; R156-N159 WeakPolarHBondContact O-CB 3.44Å; R156-N159 PolarHBondContact O-N 2.92Å; W157-N159 VanDerWaalsContact C-N 3.28Å; W157-N159 PolarHBondContact O-N 2.9Å; N159-M161 VanDerWaalsContact C-N 3.27Å; N159-M161 PolarHBondContact O-N 2.76Å; N159-L162 PolarHBondContact O-N 3.45Å; N159-V163 WeakPolarHBondContact O-CG2 3.47Å; N159-V163 PolarHBondContact O-N 3.19Å; N159-C204 WeakPolarHBondContact OD1-CB 3.27Å; N159-V205 HydrophobicContact CB-CB 3.76Å; N159-V205 HydrophobicContact CB-CG2 3.66Å; N159-V205 PolarHBondContact OD1-N 2.86Å
160	N	82.6	Confident	84	Confident	74 Å²	74	63.7 Å²	63.7	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-36.3	179.4	-71.2	-19.6	0	0	0	112	R156 W157 R164	R156-N160 WeakPolarHBondContact O-CB 3.15Å; R156-N160 VanDerWaalsContact O-CG 3.23Å; R156-N160 PolarHBondContact O-N 2.77Å; R156-N160 PolarHBondContact O-ND2 2.79Å; W157-N160 PolarHBondContact O-N 2.97Å; N160-R164 VanDerWaalsContact O-CG 3.3Å; N160-R164 WeakPolarHBondContact O-CG 3.28Å; N160-R164 PolarHBondContact O-N 2.77Å; N160-R164 VanDerWaalsContact O-N 3.13Å
161	M	80.7	Confident	84.3	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-51.7	174.2	-177.9	-75.2	165.6	0	0	110.7	V134 C137 W157 I158 N159 V163 R164 L165	V134-M161 VanDerWaalsContact CA-CE 3.47Å; V134-M161 HydrophobicContact CB-CE 4.19Å; V134-M161 HydrophobicContact CG1-CE 4.36Å; V134-M161 HydrophobicContact CG2-CE 4.15Å; V134-M161 HydrophobicContact CG2-CG 3.63Å; C137-M161 HydrophobicContact CB-CE 3.36Å; C137-M161 HydrophobicContact CB-SD 4.32Å; W157-M161 WeakPolarHBondContact O-CB 3.44Å; W157-M161 PolarHBondContact O-N 2.87Å; I158-M161 HydrophobicContact CD1-SD 4.48Å; I158-M161 WeakPolarHBondContact O-CB 3.35Å; I158-M161 PolarHBondContact O-N 3.03Å; N159-M161 VanDerWaalsContact C-N 3.27Å; N159-M161 PolarHBondContact O-N 2.76Å; M161-V163 VanDerWaalsContact C-N 3.34Å; M161-V163 PolarHBondContact O-N 2.7Å; M161-R164 WeakPolarHBondContact O-CB 3.43Å; M161-R164 PolarHBondContact O-N 3.35Å; M161-R164 VanDerWaalsContact O-N 3.1Å; M161-L165 HydrophobicContact CE-CD1 3.4Å; M161-L165 VanDerWaalsContact CE-CD1 3.4Å; M161-L165 HydrophobicContact CE-CD2 3.66Å; M161-L165 HydrophobicContact CE-CG 3.62Å; M161-L165 PolarHBondContact O-N 3.12Å; M161-L165 HydrophobicContact SD-CD1 3.77Å; M161-L165 HydrophobicContact SD-CG 4Å
162	L	83.8	Confident	84.5	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-38.7	-178.1	-74.6	179.5	0	0	0	112.8	I145 I158 N159 R164 L165 I180 L182 P199	I145-L162 HydrophobicContact CD1-CD1 4.34Å; I145-L162 HydrophobicContact CD1-CD2 3.66Å; I145-L162 HydrophobicContact CD1-CG 4.33Å; I158-L162 HydrophobicContact CD1-CG 4.41Å; I158-L162 HydrophobicContact CG1-CD1 4.38Å; I158-L162 HydrophobicContact CG1-CG 4.47Å; I158-L162 WeakPolarHBondContact O-CG 3.22Å; I158-L162 PolarHBondContact O-N 3.31Å; N159-L162 PolarHBondContact O-N 3.45Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 3.22Å; L162-L165 HydrophobicContact CD2-CD1 4.19Å; L162-L165 WeakPolarHBondContact O-CB 3.47Å; L162-L165 PolarHBondContact O-N 3.12Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L162-I180 HydrophobicContact CD2-CB 3.92Å; L162-I180 HydrophobicContact CD2-CD1 4.48Å; L162-I180 HydrophobicContact CD2-CG2 4.28Å; L162-L182 HydrophobicContact CD1-CB 3.6Å; L162-L182 HydrophobicContact CD1-CD2 3.97Å; L162-L182 HydrophobicContact CD1-CG 4.27Å; L162-P199 HydrophobicContact CB-CB 4.35Å; L162-P199 HydrophobicContact CB-CG 3.73Å; L162-P199 HydrophobicContact CD1-CG 4.15Å
163	V	84.7	Confident	84.6	Confident	31 Å²	31	63.3 Å²	63.3	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-37.3	174.1	173	0	0	0	0	111.4	N159 M161 L165 L166 P199	N159-V163 WeakPolarHBondContact O-CG2 3.47Å; N159-V163 PolarHBondContact O-N 3.19Å; M161-V163 VanDerWaalsContact C-N 3.34Å; M161-V163 PolarHBondContact O-N 2.7Å; V163-L165 PolarHBondContact O-N 3.39Å; V163-L166 WeakPolarHBondContact O-CB 3.45Å; V163-L166 WeakPolarHBondContact O-CG 3.45Å; V163-L166 PolarHBondContact O-N 3.38Å; V163-P199 HydrophobicContact CG2-CB 4.45Å
164	R	82.1	Confident	84.8	Confident	158 Å²	158	62.4 Å²	62.4	60%	0.596	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.6	176.5	-72.7	173.2	174.8	-175.9	0.3	114.3	R138 N160 M161 L162	R138-R164 PolarHBondContact NH2-O 3Å; N160-R164 VanDerWaalsContact O-CG 3.3Å; N160-R164 WeakPolarHBondContact O-CG 3.28Å; N160-R164 PolarHBondContact O-N 2.77Å; N160-R164 VanDerWaalsContact O-N 3.13Å; M161-R164 WeakPolarHBondContact O-CB 3.43Å; M161-R164 PolarHBondContact O-N 3.35Å; M161-R164 VanDerWaalsContact O-N 3.1Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 3.22Å
165	L	81.3	Confident	85	Confident	16 Å²	16	62.6 Å²	62.6	8%	0.084	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-16	174.4	-64.2	-175.4	0	0	0	113.1	C137 R138 M161 L162 V163 R167 I180	C137-L165 HydrophobicContact CB-CD1 4.05Å; R138-L165 HydrophobicContact CG-CD2 3.51Å; R138-L165 VanDerWaalsContact NE-CD2 3.34Å; M161-L165 HydrophobicContact CE-CD1 3.4Å; M161-L165 VanDerWaalsContact CE-CD1 3.4Å; M161-L165 HydrophobicContact CE-CD2 3.66Å; M161-L165 HydrophobicContact CE-CG 3.62Å; M161-L165 PolarHBondContact O-N 3.12Å; M161-L165 HydrophobicContact SD-CD1 3.77Å; M161-L165 HydrophobicContact SD-CG 4Å; L162-L165 HydrophobicContact CD2-CD1 4.19Å; L162-L165 WeakPolarHBondContact O-CB 3.47Å; L162-L165 PolarHBondContact O-N 3.12Å; L162-L165 VanDerWaalsContact O-N 3.14Å; V163-L165 PolarHBondContact O-N 3.39Å; L165-R167 PolarHBondContact O-N 2.93Å; L165-I180 HydrophobicContact CD1-CD1 3.66Å
166	L	84.1	Confident	84.6	Confident	19 Å²	19	63.6 Å²	63.6	10%	0.099	31%	0.308	C	S	.	.			trans	-61.1	136.2	-178.1	-62.2	-177.7	0	0	0	110.9	V163 Y168 L174 V179 P199	V163-L166 WeakPolarHBondContact O-CB 3.45Å; V163-L166 WeakPolarHBondContact O-CG 3.45Å; V163-L166 PolarHBondContact O-N 3.38Å; L166-Y168 HydrophobicContact CB-CE2 4.03Å; L166-L174 HydrophobicContact CB-CD1 3.97Å; L166-L174 HydrophobicContact CD1-CD1 4.11Å; L166-L174 HydrophobicContact CD2-CD1 4.02Å; L166-L174 HydrophobicContact CG-CD1 4.24Å; L166-V179 HydrophobicContact CD2-CB 4.49Å; L166-V179 HydrophobicContact CD2-CG2 3.92Å; L166-P199 HydrophobicContact CD1-CB 4.18Å; L166-P199 HydrophobicContact CD2-CB 4.03Å; L166-P199 HydrophobicContact CG-CB 4.35Å
167	R	85.1	Confident	84.3	Confident	139 Å²	139	60.4 Å²	60.4	53%	0.525	30%	0.303	S	S	.	.			trans	-111.6	146.3	171.9	-64	-173.2	-64.4	-112.8	-1.1	108.6	L165 D175 S177 S178	L165-R167 PolarHBondContact O-N 2.93Å; R167-D175 HydrophobicContact CB-CB 3.97Å; R167-D175 IonicContact CZ-OD2 2.82Å; R167-D175 IonicContact NE-OD2 2.63Å; R167-D175 PolarHBondContact NE-OD2 3.45Å; R167-D175 IonicContact NH2-OD2 3.18Å; R167-D175 PolarHBondContact NH2-OD2 3.37Å; R167-D175 WeakPolarHBondContact O-CB 3.48Å; R167-D175 PolarHBondContact O-N 2.89Å; R167-S177 PolarHBondContact NH2-OG 3.43Å; R167-S178 VanDerWaalsContact N-CB 3.3Å; R167-S178 PolarHBondContact N-OG 2.99Å
168	Y	86.7	Confident	84.3	Confident	119 Å²	119	57.8 Å²	57.8	47%	0.467	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-120.7	137.6	176.2	-65.8	-93.7	0	0	0	107.8	L166 G172 S173 L174	L166-Y168 HydrophobicContact CB-CE2 4.03Å; Y168-G172 WeakPolarHBondContact CD1-O 3.31Å; Y168-S173 CarbonylContact C-O 3.56Å; Y168-S173 VanDerWaalsContact CA-O 3.31Å; Y168-S173 WeakPolarHBondContact CA-O 3.17Å; Y168-L174 HydrophobicContact CD1-CB 4.36Å; Y168-L174 HydrophobicContact CD1-CD1 4.32Å; Y168-L174 HydrophobicContact CE1-CB 4.16Å; Y168-L174 HydrophobicContact CE1-CD1 3.86Å; Y168-L174 HydrophobicContact CE2-CD1 4.38Å
169	N	88.4	Confident	84.4	Confident	75 Å²	75	58.1 Å²	58.1	40%	0.401	30%	0.296	S	S	.	.			trans	-69.9	169.2	173.7	-60.8	-42	0	0	0	109.8	D171 G172 S173	N169-D171 VanDerWaalsContact CB-OD1 3.31Å; N169-D171 WeakPolarHBondContact CB-OD1 3.4Å; N169-D171 PolarHBondContact O-N 3.41Å; N169-D171 VanDerWaalsContact O-N 3.15Å; N169-G172 PolarHBondContact O-N 2.96Å; N169-S173 PolarHBondContact N-O 2.86Å; N169-S173 PolarHBondContact ND2-OG 3.48Å
170	E	88.9	Confident	84.3	Confident	211 Å²	211	58.9 Å²	58.9	99%	0.986	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.9	-179.1	-63.9	-177.3	171.7	0	0	113.4	G172	E170-G172 VanDerWaalsContact C-N 3.26Å; E170-G172 PolarHBondContact O-N 3.27Å
171	D	88.9	Confident	84.5	Confident	125 Å²	125	55.8 Å²	55.8	67%	0.668	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	0.5	176.4	69.5	-8.6	0	0	0	113.9	N169 S173	N169-D171 VanDerWaalsContact CB-OD1 3.31Å; N169-D171 WeakPolarHBondContact CB-OD1 3.4Å; N169-D171 PolarHBondContact O-N 3.41Å; N169-D171 VanDerWaalsContact O-N 3.15Å; D171-S173 VanDerWaalsContact C-N 3.27Å; D171-S173 VanDerWaalsContact CG-OG 3.3Å; D171-S173 PolarHBondContact O-N 2.8Å; D171-S173 WeakPolarHBondContact OD1-CB 2.84Å; D171-S173 PolarHBondContact OD1-N 2.72Å; D171-S173 PolarHBondContact OD1-OG 3.46Å; D171-S173 PolarHBondContact OD2-OG 2.98Å
172	G	85.8	Confident	84.9	Confident	52 Å²	52	55.5 Å²	55.5	54%	0.536	28%	0.283	S	S	.	.	S	Bend	trans	80.3	1	-176.1	0	0	0	0	0	114.5	Y168 N169 E170	Y168-G172 WeakPolarHBondContact CD1-O 3.31Å; N169-G172 PolarHBondContact O-N 2.96Å; E170-G172 VanDerWaalsContact C-N 3.26Å; E170-G172 PolarHBondContact O-N 3.27Å
173	S	86.6	Confident	85.3	Confident	46 Å²	46	55.4 Å²	55.4	32%	0.322	28%	0.282	S	S	.	.			trans	-70.5	143.6	172.8	68.3	0	0	0	0	111	Y168 N169 D171 D175	Y168-S173 CarbonylContact C-O 3.56Å; Y168-S173 VanDerWaalsContact CA-O 3.31Å; Y168-S173 WeakPolarHBondContact CA-O 3.17Å; N169-S173 PolarHBondContact N-O 2.86Å; N169-S173 PolarHBondContact ND2-OG 3.48Å; D171-S173 VanDerWaalsContact C-N 3.27Å; D171-S173 VanDerWaalsContact CG-OG 3.3Å; D171-S173 PolarHBondContact O-N 2.8Å; D171-S173 WeakPolarHBondContact OD1-CB 2.84Å; D171-S173 PolarHBondContact OD1-N 2.72Å; D171-S173 PolarHBondContact OD1-OG 3.46Å; D171-S173 PolarHBondContact OD2-OG 2.98Å; S173-D175 PolarHBondContact O-N 2.74Å
174	L	83.3	Confident	85.8	Confident	34 Å²	34	54 Å²	54	18%	0.178	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-68.9	123	177.5	178.8	66.4	0	0	0	109.7	L166 Y168 P176 V179 I201	L166-L174 HydrophobicContact CB-CD1 3.97Å; L166-L174 HydrophobicContact CD1-CD1 4.11Å; L166-L174 HydrophobicContact CD2-CD1 4.02Å; L166-L174 HydrophobicContact CG-CD1 4.24Å; Y168-L174 HydrophobicContact CD1-CB 4.36Å; Y168-L174 HydrophobicContact CD1-CD1 4.32Å; Y168-L174 HydrophobicContact CE1-CB 4.16Å; Y168-L174 HydrophobicContact CE1-CD1 3.86Å; Y168-L174 HydrophobicContact CE2-CD1 4.38Å; L174-P176 WeakPolarHBondContact O-CD 3.49Å; L174-P176 VanDerWaalsContact O-N 3.12Å; L174-V179 HydrophobicContact CD1-CG2 4.38Å; L174-V179 HydrophobicContact CD2-CG2 3.63Å; L174-V179 HydrophobicContact CG-CG2 4.02Å; L174-I201 HydrophobicContact CD2-CD1 4.15Å; L174-I201 HydrophobicContact CD2-CG1 3.62Å
175	D	83.8	Confident	86.3	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.091	25%	0.245	C	C	.	.			trans	-64.8	109.3	170.6	167.9	13.5	0	0	0	108	R167 S173 S177 S178	R167-D175 HydrophobicContact CB-CB 3.97Å; R167-D175 IonicContact CZ-OD2 2.82Å; R167-D175 IonicContact NE-OD2 2.63Å; R167-D175 PolarHBondContact NE-OD2 3.45Å; R167-D175 IonicContact NH2-OD2 3.18Å; R167-D175 PolarHBondContact NH2-OD2 3.37Å; R167-D175 WeakPolarHBondContact O-CB 3.48Å; R167-D175 PolarHBondContact O-N 2.89Å; S173-D175 PolarHBondContact O-N 2.74Å; D175-S177 PolarHBondContact O-N 2.92Å; D175-S177 VanDerWaalsContact O-N 3.09Å; D175-S177 VanDerWaalsContact OD1-CB 3.27Å; D175-S177 WeakPolarHBondContact OD1-CB 3.24Å; D175-S177 PolarHBondContact OD1-N 3.27Å; D175-S177 PolarHBondContact OD1-OG 2.72Å; D175-S177 PolarHBondContact OD2-OG 3.47Å; D175-S178 PolarHBondContact O-N 3.26Å; D175-S178 VanDerWaalsContact O-N 3.09Å; D175-S178 PolarHBondContact O-OG 3.27Å
176	P	80.7	Confident	86.8	Confident	34 Å²	34	46 Å²	46	22%	0.221	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59	-31.8	-176.5	-23.6	36	0	0	0	110.8	L174 S178 V179 R333	L174-P176 WeakPolarHBondContact O-CD 3.49Å; L174-P176 VanDerWaalsContact O-N 3.12Å; P176-S178 PolarHBondContact O-N 2.8Å; P176-V179 WeakPolarHBondContact O-CB 3.5Å; P176-V179 PolarHBondContact O-N 3.16Å; P176-V179 VanDerWaalsContact O-N 3.11Å; P176-R333 VanDerWaalsContact CB-NH2 3.25Å; P176-R333 PolarHBondContact O-NH1 3.45Å; P176-R333 PolarHBondContact O-NH2 3.33Å
177	S	79.7	Confident	87.1	Confident	43 Å²	43	47 Å²	47	30%	0.301	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-66.2	-20.8	-176.1	76.8	0	0	0	0	113.9	R167 D175 V179 L335	R167-S177 PolarHBondContact NH2-OG 3.43Å; D175-S177 PolarHBondContact O-N 2.92Å; D175-S177 VanDerWaalsContact O-N 3.09Å; D175-S177 VanDerWaalsContact OD1-CB 3.27Å; D175-S177 WeakPolarHBondContact OD1-CB 3.24Å; D175-S177 PolarHBondContact OD1-N 3.27Å; D175-S177 PolarHBondContact OD1-OG 2.72Å; D175-S177 PolarHBondContact OD2-OG 3.47Å; S177-V179 VanDerWaalsContact C-N 3.35Å; S177-L335 VanDerWaalsContact CB-CD2 3.42Å
178	S	82.7	Confident	87.1	Confident	7 Å²	7	44.3 Å²	44.3	5%	0.049	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-81.1	-13.8	176.1	72.7	0	0	0	0	113.9	R167 D175 P176 I180	R167-S178 VanDerWaalsContact N-CB 3.3Å; R167-S178 PolarHBondContact N-OG 2.99Å; D175-S178 PolarHBondContact O-N 3.26Å; D175-S178 VanDerWaalsContact O-N 3.09Å; D175-S178 PolarHBondContact O-OG 3.27Å; P176-S178 PolarHBondContact O-N 2.8Å; S178-I180 PolarHBondContact O-N 3.23Å
179	V	84.3	Confident	86.9	Confident	8 Å²	8	39.2 Å²	39.2	5%	0.048	23%	0.229	C	C	.	.			trans	-80.5	110	-178.7	-176.1	0	0	0	0	109.8	L166 L174 P176 S177 P181 L198 I201 R333	L166-V179 HydrophobicContact CD2-CB 4.49Å; L166-V179 HydrophobicContact CD2-CG2 3.92Å; L174-V179 HydrophobicContact CD1-CG2 4.38Å; L174-V179 HydrophobicContact CD2-CG2 3.63Å; L174-V179 HydrophobicContact CG-CG2 4.02Å; P176-V179 WeakPolarHBondContact O-CB 3.5Å; P176-V179 PolarHBondContact O-N 3.16Å; P176-V179 VanDerWaalsContact O-N 3.11Å; S177-V179 VanDerWaalsContact C-N 3.35Å; V179-P181 WeakPolarHBondContact O-CD 3.4Å; V179-L198 HydrophobicContact CG1-CB 4.42Å; V179-I201 HydrophobicContact CG1-CD1 4.46Å; V179-I201 HydrophobicContact CG2-CD1 4.3Å; V179-R333 PolarHBondContact O-NH1 3.23Å; V179-R333 VanDerWaalsContact O-NH1 3.13Å
180	I	85.2	Confident	86.7	Confident	19 Å²	19	40.8 Å²	40.8	10%	0.097	23%	0.232	C	C	.	.			trans	-96.8	114.1	169.8	-53.4	-178.7	0	0	0	108.3	I145 L162 L165 S178 P199	I145-I180 HydrophobicContact CD1-CG2 4.28Å; I145-I180 HydrophobicContact CG1-CG2 3.88Å; L162-I180 HydrophobicContact CD2-CB 3.92Å; L162-I180 HydrophobicContact CD2-CD1 4.48Å; L162-I180 HydrophobicContact CD2-CG2 4.28Å; L165-I180 HydrophobicContact CD1-CD1 3.66Å; S178-I180 PolarHBondContact O-N 3.23Å; I180-P199 VanDerWaalsContact O-CD 3.28Å; I180-P199 WeakPolarHBondContact O-CD 3.06Å; I180-P199 WeakPolarHBondContact O-CG 3.48Å
181	P	88	Confident	86.6	Confident	9 Å²	9	35.6 Å²	35.6	6%	0.058	21%	0.206	C	C	.	.			trans	-61.1	141.2	175.9	-22.8	34.3	0	0	0	112.3	N143 V144 I145 V179 L198	N143-P181 WeakPolarHBondContact O-CD 3.4Å; V144-P181 HydrophobicContact CG2-CB 4.33Å; I145-P181 PolarHBondContact N-O 3.1Å; V179-P181 WeakPolarHBondContact O-CD 3.4Å; P181-L198 HydrophobicContact CB-CD2 3.78Å; P181-L198 HydrophobicContact CG-CD2 3.9Å
182	L	89.7	Confident	86.7	Confident	1 Å²	1	30 Å²	30	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.2	172.3	170	64.9	0	0	0	110	I145 I158 L162 D184 I197	I145-L182 HydrophobicContact CB-CD1 4.1Å; I145-L182 HydrophobicContact CG2-CD1 3.83Å; I145-L182 CarbonylContact O-C 3.49Å; I145-L182 VanDerWaalsContact O-CA 3.32Å; I145-L182 WeakPolarHBondContact O-CA 3.01Å; I158-L182 HydrophobicContact CG2-CD2 4.27Å; L162-L182 HydrophobicContact CD1-CB 3.6Å; L162-L182 HydrophobicContact CD1-CD2 3.97Å; L162-L182 HydrophobicContact CD1-CG 4.27Å; L182-D184 HydrophobicContact CG-CB 4.47Å; L182-I197 HydrophobicContact CB-CB 4.13Å; L182-I197 HydrophobicContact CD2-CD1 4.08Å; L182-I197 PolarHBondContact N-O 2.81Å; L182-I197 PolarHBondContact O-N 3.45Å
183	V	92.4	Very high	87.1	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	98.4	171.9	-176.2	0	0	0	0	108.3	V144 I145 V146 S147 I194 R195 Q324	V144-V183 HydrophobicContact CG2-CG2 4.38Å; I145-V183 PolarHBondContact O-N 3.26Å; V146-V183 WeakPolarHBondContact CA-O 3.28Å; V146-V183 HydrophobicContact CG1-CB 4.29Å; V146-V183 WeakPolarHBondContact CG1-O 3.23Å; V146-V183 HydrophobicContact CG2-CB 4.5Å; S147-V183 PolarHBondContact N-O 3.33Å; V183-I194 HydrophobicContact CG1-CG2 4.35Å; V183-R195 CarbonylContact C-O 3.59Å; V183-R195 WeakPolarHBondContact CA-O 3.49Å; V183-Q324 HydrophobicContact CG1-CB 3.89Å; V183-Q324 HydrophobicContact CG1-CG 3.95Å; V183-Q324 PolarHBondContact O-NE2 2.97Å; V183-Q324 VanDerWaalsContact O-NE2 3.16Å
184	D	93.6	Very high	87.4	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.4	-177.8	-178.1	69.3	0	0	0	111.3	S147 R155 L182 I194 R195	S147-D184 VanDerWaalsContact CB-OD1 3.28Å; S147-D184 WeakPolarHBondContact CB-OD1 3.39Å; S147-D184 PolarHBondContact OG-OD1 3.48Å; R155-D184 WeakPolarHBondContact CD-OD2 3.29Å; R155-D184 IonicContact NE-OD1 2.79Å; R155-D184 PolarHBondContact NE-OD1 2.83Å; R155-D184 IonicContact NE-OD2 2.73Å; R155-D184 PolarHBondContact NE-OD2 2.99Å; L182-D184 HydrophobicContact CG-CB 4.47Å; D184-I194 CarbonylContact O-C 3.59Å; D184-I194 WeakPolarHBondContact O-CA 3.28Å; D184-R195 HydrophobicContact CB-CB 4.35Å; D184-R195 PolarHBondContact N-O 3.38Å; D184-R195 PolarHBondContact O-N 3.48Å
185	G	93.7	Very high	87.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.9	175.4	0	0	0	0	0	111.1	S147 R155 N193	S147-G185 PolarHBondContact O-N 3.29Å; R155-G185 PolarHBondContact NH2-O 3.41Å; G185-N193 WeakPolarHBondContact CA-O 3.35Å
186	G	92.1	Very high	88.1	Confident	8 Å²	8	24.4 Å²	24.4	8%	0.082	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.6	173.7	0	0	0	0	0	111	G192 N193	G186-G192 CarbonylContact O-C 3.6Å; G186-G192 WeakPolarHBondContact O-CA 3.32Å; G186-N193 VanDerWaalsContact CA-OD1 3.27Å; G186-N193 WeakPolarHBondContact CA-OD1 3.45Å; G186-N193 PolarHBondContact N-O 3.02Å; G186-N193 PolarHBondContact N-OD1 3.18Å; G186-N193 PolarHBondContact O-N 3.31Å; G186-N193 PolarHBondContact O-OD1 2.89Å
187	V	90.2	Very high	88.5	Confident	39 Å²	39	22.8 Å²	22.8	24%	0.236	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133	-178.9	-71.4	0	0	0	0	110.6	L46 T316 N317 V320	L46-V187 HydrophobicContact CD1-CG1 4.44Å; V187-T316 HydrophobicContact CB-CG2 4.44Å; V187-T316 HydrophobicContact CG1-CG2 4.1Å; V187-N317 WeakPolarHBondContact CG2-OD1 3.45Å; V187-V320 HydrophobicContact CG1-CB 4Å; V187-V320 HydrophobicContact CG1-CG1 4.31Å; V187-V320 HydrophobicContact CG1-CG2 3.77Å
188	E	84.1	Confident	88.9	Confident	82 Å²	82	21.9 Å²	21.9	38%	0.383	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	109	175.1	-64.5	-173.5	-172.9	0	0	109.5	F190 K191 I310	E188-F190 PolarHBondContact O-N 3.42Å; E188-F190 VanDerWaalsContact O-N 3.11Å; E188-K191 PolarHBondContact N-O 3.28Å; E188-K191 WeakPolarHBondContact O-CA 3.26Å; E188-K191 WeakPolarHBondContact O-CB 3.45Å; E188-K191 PolarHBondContact O-N 2.88Å; E188-I310 HydrophobicContact CB-CG2 4Å; E188-I310 HydrophobicContact CG-CG2 3.95Å
189	G	82.4	Confident	89	Confident	13 Å²	13	21.6 Å²	21.6	13%	0.134	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	56	-117	-176.4	0	0	0	0	0	111.5	P311 V313 T316	G189-P311 WeakPolarHBondContact CA-O 3.4Å; G189-P311 PolarHBondContact N-O 2.99Å; G189-V313 WeakPolarHBondContact O-CG2 3.42Å; G189-T316 PolarHBondContact O-OG1 3.39Å
190	F	84.4	Confident	89	Confident	107 Å²	107	21.7 Å²	21.7	47%	0.469	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	10.3	177.8	-58.7	-70.5	0	0	0	113.5	E188 V313 Q370 D371	E188-F190 PolarHBondContact O-N 3.42Å; E188-F190 VanDerWaalsContact O-N 3.11Å; F190-V313 HydrophobicContact CD1-CG2 4.17Å; F190-V313 HydrophobicContact CE1-CG1 4.31Å; F190-V313 HydrophobicContact CE1-CG2 4.21Å; F190-Q370 CarbonylContact O-C 3.59Å; F190-Q370 VanDerWaalsContact O-CA 3.3Å; F190-Q370 WeakPolarHBondContact O-CA 3.41Å; F190-D371 HydrophobicContact CB-CB 4.33Å; F190-D371 PolarHBondContact O-N 2.71Å
191	K	88.3	Confident	89	Confident	103 Å²	103	25.1 Å²	25.1	45%	0.448	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.6	179.4	-62.6	-179.5	179.8	177.3	0	110.4	E188 T316 F369 Q370	E188-K191 PolarHBondContact N-O 3.28Å; E188-K191 WeakPolarHBondContact O-CA 3.26Å; E188-K191 WeakPolarHBondContact O-CB 3.45Å; E188-K191 PolarHBondContact O-N 2.88Å; K191-T316 WeakPolarHBondContact O-CG2 3.48Å; K191-F369 CarbonylContact C-O 3.52Å; K191-F369 VanDerWaalsContact CA-O 3.31Å; K191-F369 WeakPolarHBondContact CA-O 3.34Å; K191-Q370 HydrophobicContact CG-CB 4.08Å
192	G	91	Very high	89	Confident	8 Å²	8	25.5 Å²	25.5	8%	0.082	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	165	174.2	0	0	0	0	0	112.3	G186 S368 F369	G186-G192 CarbonylContact O-C 3.6Å; G186-G192 WeakPolarHBondContact O-CA 3.32Å; G192-S368 CarbonylContact O-C 3.57Å; G192-S368 WeakPolarHBondContact O-CA 3.37Å; G192-F369 PolarHBondContact N-O 2.93Å; G192-F369 PolarHBondContact O-N 2.82Å
193	N	93.1	Very high	89	Confident	25 Å²	25	25.6 Å²	25.6	13%	0.134	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.4	173.1	63.4	-1.6	0	0	0	111.9	G185 G186 R195 Y366 M367	G185-N193 WeakPolarHBondContact CA-O 3.35Å; G186-N193 VanDerWaalsContact CA-OD1 3.27Å; G186-N193 WeakPolarHBondContact CA-OD1 3.45Å; G186-N193 PolarHBondContact N-O 3.02Å; G186-N193 PolarHBondContact N-OD1 3.18Å; G186-N193 PolarHBondContact O-N 3.31Å; G186-N193 PolarHBondContact O-OD1 2.89Å; N193-R195 PolarHBondContact ND2-NH2 2.66Å; N193-Y366 HydrophobicContact CB-CE2 4.28Å; N193-Y366 PolarHBondContact ND2-OH 3.11Å; N193-M367 CarbonylContact C-O 3.56Å; N193-M367 WeakPolarHBondContact CA-O 3.42Å; N193-M367 WeakPolarHBondContact CB-O 3.33Å
194	I	93.1	Very high	88.9	Confident	4 Å²	4	25.6 Å²	25.6	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.4	178	-60.6	167.8	0	0	0	107.9	V183 D184 V320 T323 Q324 Y366 M367	V183-I194 HydrophobicContact CG1-CG2 4.35Å; D184-I194 CarbonylContact O-C 3.59Å; D184-I194 WeakPolarHBondContact O-CA 3.28Å; I194-V320 HydrophobicContact CD1-CG1 4.33Å; I194-V320 WeakPolarHBondContact CD1-O 3.45Å; I194-V320 HydrophobicContact CG1-CG1 3.83Å; I194-T323 HydrophobicContact CD1-CG2 3.31Å; I194-Q324 HydrophobicContact CD1-CG 4.13Å; I194-Q324 HydrophobicContact CG1-CG 3.91Å; I194-Q324 HydrophobicContact CG2-CG 3.97Å; I194-Y366 WeakPolarHBondContact O-CA 3.31Å; I194-M367 HydrophobicContact CB-CB 4.4Å; I194-M367 HydrophobicContact CD1-SD 4.42Å; I194-M367 PolarHBondContact N-O 3.4Å; I194-M367 PolarHBondContact O-N 2.68Å
195	R	91.8	Very high	88.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.3	-178.4	-53	177.5	-175.7	-171.7	-2.6	109	V183 D184 N193 I197 Y208 Y212 N365 Y366	V183-R195 CarbonylContact C-O 3.59Å; V183-R195 WeakPolarHBondContact CA-O 3.49Å; D184-R195 HydrophobicContact CB-CB 4.35Å; D184-R195 PolarHBondContact N-O 3.38Å; D184-R195 PolarHBondContact O-N 3.48Å; N193-R195 PolarHBondContact ND2-NH2 2.66Å; R195-I197 HydrophobicContact CB-CG1 4.48Å; R195-Y208 HydrophobicContact CB-CE2 4.42Å; R195-Y208 VanDerWaalsContact NH1-CB 3.26Å; R195-Y212 PolarHBondContact NH1-OH 3.27Å; R195-N365 CarbonylContact C-O 3.56Å; R195-N365 VanDerWaalsContact CA-O 3.29Å; R195-N365 WeakPolarHBondContact CA-O 3.23Å; R195-Y366 HydrophobicContact CG-CD2 3.82Å; R195-Y366 HydrophobicContact CG-CE2 3.98Å
196	V	89.9	Confident	88.4	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	109.7	177.9	-170.3	0	0	0	0	108.9	S202 D327 R331 N365	V196-S202 PolarHBondContact O-OG 2.91Å; V196-D327 WeakPolarHBondContact CG2-OD2 2.98Å; V196-R331 VanDerWaalsContact CG1-CZ 3.48Å; V196-N365 PolarHBondContact N-O 3.14Å
197	I	88.1	Confident	88.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.3	-171.2	-58.9	175.9	0	0	0	108.1	L182 R195 P199 S202 V205 Y208	L182-I197 HydrophobicContact CB-CB 4.13Å; L182-I197 HydrophobicContact CD2-CD1 4.08Å; L182-I197 PolarHBondContact N-O 2.81Å; L182-I197 PolarHBondContact O-N 3.45Å; R195-I197 HydrophobicContact CB-CG1 4.48Å; I197-P199 HydrophobicContact CG2-CG 4.48Å; I197-P199 WeakPolarHBondContact O-CD 3.49Å; I197-S202 WeakPolarHBondContact CA-OG 3.39Å; I197-V205 HydrophobicContact CD1-CG2 3.51Å; I197-Y208 HydrophobicContact CD1-CE2 4.3Å; I197-Y208 HydrophobicContact CG1-CE2 4.12Å
198	L	88.5	Confident	88.1	Confident	25 Å²	25	25 Å²	25	13%	0.131	13%	0.129	C	C	.	.			trans	-108.1	96.5	168.6	-61.2	-179.4	0	0	0	106.1	V179 P181 G200 I201 S202	V179-L198 HydrophobicContact CG1-CB 4.42Å; P181-L198 HydrophobicContact CB-CD2 3.78Å; P181-L198 HydrophobicContact CG-CD2 3.9Å; L198-G200 PolarHBondContact O-N 3.24Å; L198-I201 HydrophobicContact CB-CB 3.92Å; L198-I201 HydrophobicContact CD1-CG2 4.47Å; L198-I201 PolarHBondContact O-N 3.15Å; L198-S202 PolarHBondContact N-OG 3.15Å; L198-S202 PolarHBondContact O-N 2.95Å
199	P	85.4	Confident	88.1	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	129.9	-176.9	-24.5	31.6	0	0	0	110.9	L162 V163 L166 I180 I197 I201	L162-P199 HydrophobicContact CB-CB 4.35Å; L162-P199 HydrophobicContact CB-CG 3.73Å; L162-P199 HydrophobicContact CD1-CG 4.15Å; V163-P199 HydrophobicContact CG2-CB 4.45Å; L166-P199 HydrophobicContact CD1-CB 4.18Å; L166-P199 HydrophobicContact CD2-CB 4.03Å; L166-P199 HydrophobicContact CG-CB 4.35Å; I180-P199 VanDerWaalsContact O-CD 3.28Å; I180-P199 WeakPolarHBondContact O-CD 3.06Å; I180-P199 WeakPolarHBondContact O-CG 3.48Å; I197-P199 HydrophobicContact CG2-CG 4.48Å; I197-P199 WeakPolarHBondContact O-CD 3.49Å; P199-I201 VanDerWaalsContact C-N 3.26Å; P199-I201 PolarHBondContact O-N 3.16Å
200	G	84.3	Confident	88.2	Confident	9 Å²	9	28.1 Å²	28.1	9%	0.093	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-3.7	-178	0	0	0	0	0	115.8	L198 R384	L198-G200 PolarHBondContact O-N 3.24Å; G200-R384 VanDerWaalsContact C-CZ 3.49Å; G200-R384 PolarHBondContact O-NH1 2.67Å; G200-R384 PolarHBondContact O-NH2 3.5Å; G200-R384 VanDerWaalsContact O-NH2 3.14Å
201	I	85.9	Confident	88.2	Confident	92 Å²	92	26.7 Å²	26.7	47%	0.472	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-59.9	-179.8	-56.6	176	0	0	0	111.1	L174 V179 L198 P199 R384	L174-I201 HydrophobicContact CD2-CD1 4.15Å; L174-I201 HydrophobicContact CD2-CG1 3.62Å; V179-I201 HydrophobicContact CG1-CD1 4.46Å; V179-I201 HydrophobicContact CG2-CD1 4.3Å; L198-I201 HydrophobicContact CB-CB 3.92Å; L198-I201 HydrophobicContact CD1-CG2 4.47Å; L198-I201 PolarHBondContact O-N 3.15Å; P199-I201 VanDerWaalsContact C-N 3.26Å; P199-I201 PolarHBondContact O-N 3.16Å; I201-R384 VanDerWaalsContact O-CD 3.27Å; I201-R384 WeakPolarHBondContact O-CD 3.31Å
202	S	86.4	Confident	87.9	Confident	16 Å²	16	23.1 Å²	23.1	11%	0.112	13%	0.125	C	C	.	.	S	Bend	trans	-97.8	175.5	-178.1	83.6	0	0	0	0	111.8	V196 I197 L198 C204 Q389	V196-S202 PolarHBondContact O-OG 2.91Å; I197-S202 WeakPolarHBondContact CA-OG 3.39Å; L198-S202 PolarHBondContact N-OG 3.15Å; L198-S202 PolarHBondContact O-N 2.95Å; S202-C204 PolarHBondContact O-N 3.01Å; S202-Q389 PolarHBondContact O-NE2 2.86Å
203	P	90.4	Very high	86.9	Confident	4 Å²	4	25.9 Å²	25.9	3%	0.026	14%	0.142	C	C	.	.			trans	-59.1	138.8	175.1	-15.7	26.9	0	0	0	111.3	C207 Y208 L382 R384	P203-C207 HydrophobicContact CB-CB 3.62Å; P203-Y208 HydrophobicContact CB-CE1 4.43Å; P203-Y208 HydrophobicContact CB-CE2 3.89Å; P203-Y208 WeakPolarHBondContact O-CE2 3.18Å; P203-L382 HydrophobicContact CG-CB 4.38Å; P203-L382 WeakPolarHBondContact CG-O 3.5Å; P203-R384 HydrophobicContact CG-CB 4.41Å
204	C	90.1	Very high	85.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.			trans	-94.3	177.6	177	77.3	0	0	0	0	111.5	N159 S202 E206 C207 Y208 Q389	N159-C204 WeakPolarHBondContact OD1-CB 3.27Å; S202-C204 PolarHBondContact O-N 3.01Å; C204-E206 PolarHBondContact O-N 2.97Å; C204-E206 PolarHBondContact SG-N 3.49Å; C204-E206 VanDerWaalsContact SG-N 3.43Å; C204-C207 PolarHBondContact N-SG 2.97Å; C204-C207 VanDerWaalsContact N-SG 3.41Å; C204-C207 VanDerWaalsContact O-CB 3.3Å; C204-C207 WeakPolarHBondContact O-CB 3.48Å; C204-C207 PolarHBondContact O-N 3.29Å; C204-C207 VanDerWaalsContact SG-SG 3.67Å; C204-Y208 WeakPolarHBondContact O-CD2 3.49Å; C204-Y208 PolarHBondContact O-N 3.15Å; C204-Q389 HydrophobicContact CB-CG 3.63Å; C204-Q389 WeakPolarHBondContact SG-CG 3.18Å
205	V	89	Confident	83.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-53.6	-39.5	177.4	175.1	0	0	0	0	112.3	R155 R156 N159 I197 C207 Y208 I209	R155-V205 HydrophobicContact CB-CG1 4.06Å; R155-V205 HydrophobicContact CB-CG2 4.47Å; R156-V205 HydrophobicContact CG-CG1 4.22Å; N159-V205 HydrophobicContact CB-CB 3.76Å; N159-V205 HydrophobicContact CB-CG2 3.66Å; N159-V205 PolarHBondContact OD1-N 2.86Å; I197-V205 HydrophobicContact CD1-CG2 3.51Å; V205-C207 VanDerWaalsContact C-N 3.29Å; V205-C207 PolarHBondContact O-N 3.16Å; V205-Y208 PolarHBondContact O-N 3.44Å; V205-Y208 VanDerWaalsContact O-N 3.09Å; V205-I209 PolarHBondContact O-N 3.22Å
206	E	88.2	Confident	80.4	Confident	21 Å²	21	35.4 Å²	35.4	10%	0.098	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-64	-32.5	176.9	-57.4	-62.4	137.5	0	0	112.6	R156 C204 Y208 I209 L388	R156-E206 WeakPolarHBondContact CG-OE1 3.35Å; R156-E206 IonicContact CZ-OE1 3.01Å; R156-E206 IonicContact CZ-OE2 2.95Å; R156-E206 IonicContact NE-OE1 3.43Å; R156-E206 PolarHBondContact NE-OE1 3.28Å; R156-E206 IonicContact NE-OE2 2.74Å; R156-E206 PolarHBondContact NE-OE2 3.24Å; R156-E206 IonicContact NH2-OE1 2.95Å; R156-E206 PolarHBondContact NH2-OE1 3.34Å; R156-E206 IonicContact NH2-OE2 3.24Å; R156-E206 PolarHBondContact NH2-OE2 3.49Å; C204-E206 PolarHBondContact O-N 2.97Å; C204-E206 PolarHBondContact SG-N 3.49Å; C204-E206 VanDerWaalsContact SG-N 3.43Å; E206-Y208 PolarHBondContact O-N 3.43Å; E206-I209 WeakPolarHBondContact O-CB 3.23Å; E206-I209 VanDerWaalsContact O-CG2 3.27Å; E206-I209 WeakPolarHBondContact O-CG2 3.42Å; E206-I209 PolarHBondContact O-N 3.4Å; E206-L388 HydrophobicContact CB-CB 3.99Å; E206-L388 HydrophobicContact CB-CD1 4.47Å
207	C	88.6	Confident	77.3	Confident	13 Å²	13	41.6 Å²	41.6	9%	0.088	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-67.3	-23.9	176.5	-55.7	0	0	0	0	112.1	P203 C204 V205	P203-C207 HydrophobicContact CB-CB 3.62Å; C204-C207 PolarHBondContact N-SG 2.97Å; C204-C207 VanDerWaalsContact N-SG 3.41Å; C204-C207 VanDerWaalsContact O-CB 3.3Å; C204-C207 WeakPolarHBondContact O-CB 3.48Å; C204-C207 PolarHBondContact O-N 3.29Å; C204-C207 VanDerWaalsContact SG-SG 3.67Å; V205-C207 VanDerWaalsContact C-N 3.29Å; V205-C207 PolarHBondContact O-N 3.16Å
208	Y	87.3	Confident	74.7	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-95	4.7	178.3	-60.6	-72.2	0	0	0	113.3	R195 I197 P203 C204 V205 E206 D210 L211 N365 Y366 L382	R195-Y208 HydrophobicContact CB-CE2 4.42Å; R195-Y208 VanDerWaalsContact NH1-CB 3.26Å; I197-Y208 HydrophobicContact CD1-CE2 4.3Å; I197-Y208 HydrophobicContact CG1-CE2 4.12Å; P203-Y208 HydrophobicContact CB-CE1 4.43Å; P203-Y208 HydrophobicContact CB-CE2 3.89Å; P203-Y208 WeakPolarHBondContact O-CE2 3.18Å; C204-Y208 WeakPolarHBondContact O-CD2 3.49Å; C204-Y208 PolarHBondContact O-N 3.15Å; V205-Y208 PolarHBondContact O-N 3.44Å; V205-Y208 VanDerWaalsContact O-N 3.09Å; E206-Y208 PolarHBondContact O-N 3.43Å; Y208-D210 PolarHBondContact O-N 2.96Å; Y208-L211 HydrophobicContact CD1-CD1 3.86Å; Y208-L211 WeakPolarHBondContact O-CB 3.24Å; Y208-L211 PolarHBondContact O-N 2.85Å; Y208-N365 WeakPolarHBondContact OH-CB 3.29Å; Y208-N365 PolarHBondContact OH-O 3.45Å; Y208-N365 PolarHBondContact OH-OD1 3.16Å; Y208-Y366 AromaticContact CD1-CD2 3.96Å; Y208-Y366 HydrophobicContact CD1-CD2 3.96Å; Y208-Y366 HydrophobicContact CD1-CE2 4.42Å; Y208-Y366 AromaticContact CE1-CD2 3.8Å; Y208-Y366 HydrophobicContact CE1-CD2 3.8Å; Y208-Y366 HydrophobicContact CE1-CG 4.44Å; Y208-L382 HydrophobicContact CD1-CD1 3.64Å; Y208-L382 HydrophobicContact CE1-CB 3.94Å; Y208-L382 HydrophobicContact CE1-CD1 3.38Å; Y208-L382 HydrophobicContact CE1-CG 4.27Å
209	I	84.5	Confident	71.9	Confident	55 Å²	55	55.8 Å²	55.8	28%	0.282	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-59.7	-36.6	-169.6	-163.3	63	0	0	0	112.4	I152 V205 E206 L211 Y212	I152-I209 HydrophobicContact CG2-CD1 3.94Å; V205-I209 PolarHBondContact O-N 3.22Å; E206-I209 WeakPolarHBondContact O-CB 3.23Å; E206-I209 VanDerWaalsContact O-CG2 3.27Å; E206-I209 WeakPolarHBondContact O-CG2 3.42Å; E206-I209 PolarHBondContact O-N 3.4Å; I209-L211 PolarHBondContact O-N 2.87Å; I209-Y212 HydrophobicContact CD1-CD2 4.04Å; I209-Y212 HydrophobicContact CD1-CE2 4.38Å; I209-Y212 PolarHBondContact O-N 3.28Å
210	D	83.2	Confident	69.5	Low	106 Å²	106	59.5 Å²	59.5	57%	0.567	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.4	179.7	-57.7	-27.8	0	0	0	113.4	Y208 R385	Y208-D210 PolarHBondContact O-N 2.96Å; D210-R385 IonicContact OD2-CZ 2.77Å; D210-R385 VanDerWaalsContact OD2-CZ 3.23Å; D210-R385 IonicContact OD2-NH1 2.98Å; D210-R385 PolarHBondContact OD2-NH1 3.48Å; D210-R385 IonicContact OD2-NH2 3.89Å; D210-R385 PolarHBondContact OD2-NH2 3.07Å
211	L	85.4	Confident	67.4	Low	77 Å²	77	60.7 Å²	60.7	40%	0.403	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-87.1	-13.7	176.8	-59.9	-176.9	0	0	0	113	Y208 I209 Y366 L382	Y208-L211 HydrophobicContact CD1-CD1 3.86Å; Y208-L211 WeakPolarHBondContact O-CB 3.24Å; Y208-L211 PolarHBondContact O-N 2.85Å; I209-L211 PolarHBondContact O-N 2.87Å; L211-Y366 HydrophobicContact CD1-CD2 4.17Å; L211-Y366 HydrophobicContact CD1-CE2 3.76Å; L211-L382 HydrophobicContact CD1-CD1 3.5Å
212	Y	82.2	Confident	65.3	Low	27 Å²	27	59.2 Å²	59.2	11%	0.106	33%	0.327	C	S	.	.	S	Bend	trans	-69.1	138.7	166.7	-69.3	-78.3	0	0	0	108.2	I152 R155 R195 I209	I152-Y212 HydrophobicContact CD1-CD1 3.72Å; I152-Y212 HydrophobicContact CD1-CD2 4.18Å; I152-Y212 HydrophobicContact CD1-CE1 4.29Å; I152-Y212 HydrophobicContact CD1-CG 3.64Å; I152-Y212 HydrophobicContact CG1-CD1 3.77Å; I152-Y212 HydrophobicContact CG1-CD2 4.39Å; I152-Y212 HydrophobicContact CG1-CE1 3.81Å; I152-Y212 HydrophobicContact CG1-CE2 4.41Å; I152-Y212 HydrophobicContact CG1-CG 4.06Å; I152-Y212 HydrophobicContact CG2-CE2 4.43Å; R155-Y212 WeakPolarHBondContact CD-OH 3.36Å; R195-Y212 PolarHBondContact NH1-OH 3.27Å; I209-Y212 HydrophobicContact CD1-CD2 4.04Å; I209-Y212 HydrophobicContact CD1-CE2 4.38Å; I209-Y212 PolarHBondContact O-N 3.28Å
213	P	69.3	Low	63.5	Low	66 Å²	66	60 Å²	60	43%	0.429	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-54.5	134.3	175.3	23.5	-31.9	0	0	0	108.3
214	P	57.8	Low	61.7	Low	89 Å²	89	64.6 Å²	64.6	58%	0.578	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-55.7	151.2	170.1	26.8	-33.8	0	0	0	107.5	V216	P214-V216 HydrophobicContact CB-CG2 4.41Å; P214-V216 PolarHBondContact O-N 3.36Å
215	P	53.2	Low	60.5	Low	72 Å²	72	67 Å²	67	47%	0.468	37%	0.368	S	S	.	.	S	Bend	trans	-65.4	28.9	177.8	23.2	-30.9	0	0	0	114	T222	P215-T222 CarbonylContact C-O 3Å; P215-T222 WeakPolarHBondContact CA-OG1 3.41Å; P215-T222 CarbonylContact O-C 3.58Å
216	V	30.4	Very low	59.9	Low	69 Å²	69	70.7 Å²	70.7	42%	0.418	39%	0.393	S	S	.	.	S	Bend	trans	-147	124.9	-176.5	-120.4	0	0	0	0	110.4	P214	P214-V216 HydrophobicContact CB-CG2 4.41Å; P214-V216 PolarHBondContact O-N 3.36Å
217	N	25.9	Very low	59.3	Low	130 Å²	130	75.8 Å²	75.8	70%	0.695	42%	0.419	S	S	*	.	S	Bend	trans	76.6	48.7	156.6	-55.2	-23.3	0	0	0	120.1
218	L	32.3	Very low	58.8	Low	127 Å²	127	78.6 Å²	78.6	67%	0.665	44%	0.438	S	S	*	.	S	Bend	trans	-129.9	147.1	138.6	-90.6	101	0	0	0	108.8	L220	L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 CarbonylContact O-C 3.57Å; L218-L220 PolarHBondContact O-N 2.89Å
219	Q	31.1	Very low	58.7	Low	196 Å²	196	79.4 Å²	79.4	92%	0.916	44%	0.443	S	S	*	.	S	Bend	trans	-54.3	71.4	-164.4	-68	162.1	-14	0	0	115.9
220	L	34.5	Very low	58.7	Low	79 Å²	79	76.9 Å²	76.9	41%	0.414	43%	0.43	S	S	.	.	S	Bend	trans	76.2	122.5	-166.6	-63.8	101.4	0	0	0	113	L218	L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 CarbonylContact O-C 3.57Å; L218-L220 PolarHBondContact O-N 2.89Å
221	P	39.8	Very low	58.8	Low	35 Å²	35	73.5 Å²	73.5	23%	0.227	42%	0.415	C	S	.	.	S	Bend	cis	-132.2	160.7	34.6	32.9	-11.5	0	0	0	116.6	I310	P221-I310 HydrophobicContact CB-CG1 4.27Å; P221-I310 HydrophobicContact CG-CD1 4.22Å; P221-I310 HydrophobicContact CG-CG1 4.06Å
222	T	42.7	Very low	58.9	Low	61 Å²	61	75.5 Å²	75.5	37%	0.374	43%	0.426	S	S	.	.			trans	78.7	29.8	176.6	60.4	0	0	0	0	119.5	P215 T224	P215-T222 CarbonylContact C-O 3Å; P215-T222 WeakPolarHBondContact CA-OG1 3.41Å; P215-T222 CarbonylContact O-C 3.58Å; T222-T224 PolarHBondContact O-N 2.91Å
223	V	47.2	Very low	59.3	Low	33 Å²	33	77.6 Å²	77.6	20%	0.2	44%	0.442	C	S	.	.			trans	-62.4	106.4	169.1	-168.5	0	0	0	0	110.6	Y225	V223-Y225 HydrophobicContact CB-CD1 4.35Å; V223-Y225 HydrophobicContact CB-CD2 4.38Å; V223-Y225 HydrophobicContact CB-CE1 3.89Å; V223-Y225 HydrophobicContact CB-CE2 3.89Å; V223-Y225 HydrophobicContact CG1-CD1 3.41Å; V223-Y225 VanDerWaalsContact CG1-CD1 3.41Å; V223-Y225 HydrophobicContact CG1-CD2 4.13Å; V223-Y225 HydrophobicContact CG1-CE1 3.25Å; V223-Y225 HydrophobicContact CG1-CE2 3.99Å; V223-Y225 HydrophobicContact CG1-CG 3.86Å; V223-Y225 PolarHBondContact O-N 3.45Å
224	T	53.9	Low	60.3	Low	100 Å²	100	75 Å²	75	61%	0.613	43%	0.425	S	S	*	.			trans	-79.1	95.9	160.1	46.9	0	0	0	0	107.4	T222	T222-T224 PolarHBondContact O-N 2.91Å
225	Y	64.6	Low	61.8	Low	49 Å²	49	79.5 Å²	79.5	19%	0.192	43%	0.43	C	S	.	.			trans	-67.3	136.8	174.4	-56.1	-80.2	0	0	0	109.4	V223 I227 I230 E238 H239 E242	V223-Y225 HydrophobicContact CB-CD1 4.35Å; V223-Y225 HydrophobicContact CB-CD2 4.38Å; V223-Y225 HydrophobicContact CB-CE1 3.89Å; V223-Y225 HydrophobicContact CB-CE2 3.89Å; V223-Y225 HydrophobicContact CG1-CD1 3.41Å; V223-Y225 VanDerWaalsContact CG1-CD1 3.41Å; V223-Y225 HydrophobicContact CG1-CD2 4.13Å; V223-Y225 HydrophobicContact CG1-CE1 3.25Å; V223-Y225 HydrophobicContact CG1-CE2 3.99Å; V223-Y225 HydrophobicContact CG1-CG 3.86Å; V223-Y225 PolarHBondContact O-N 3.45Å; Y225-I227 PolarHBondContact O-N 2.89Å; Y225-I230 VanDerWaalsContact CB-CG1 3.49Å; Y225-I230 HydrophobicContact CG-CG1 4.45Å; Y225-E238 HydrophobicContact CE2-CB 4.2Å; Y225-E238 WeakPolarHBondContact OH-CB 3.39Å; Y225-H239 AromaticContact CD1-CD2 3.21Å; Y225-H239 WeakPolarHBondContact CD1-CD2 3.36Å; Y225-H239 AromaticContact CD1-NE2 3.12Å; Y225-H239 WeakPolarHBondContact CD1-NE2 3.12Å; Y225-H239 AromaticContact CE1-CD2 3.22Å; Y225-H239 WeakPolarHBondContact CE1-CD2 3.37Å; Y225-H239 AromaticContact CE1-NE2 3.19Å; Y225-H239 WeakPolarHBondContact CE1-NE2 3.47Å; Y225-H239 AromaticContact CG-CD2 3.76Å; Y225-H239 AromaticContact CZ-CD2 3.82Å; Y225-E242 HydrophobicContact CD2-CB 4.23Å; Y225-E242 HydrophobicContact CD2-CG 3.85Å; Y225-E242 HydrophobicContact CE2-CG 3.89Å
226	P	75.7	Confident	63.7	Low	78 Å²	78	77.3 Å²	77.3	51%	0.506	42%	0.417	S	S	.	.			trans	-54.9	133.7	172.2	-25.3	34.1	0	0	0	110.4	C228 T229 I230	P226-C228 PolarHBondContact O-N 2.86Å; P226-C228 VanDerWaalsContact O-N 3.11Å; P226-T229 WeakPolarHBondContact O-CA 3.5Å; P226-T229 WeakPolarHBondContact O-CB 3.31Å; P226-T229 PolarHBondContact O-N 3.11Å; P226-I230 PolarHBondContact O-N 3.48Å
227	I	75.1	Confident	66.7	Low	129 Å²	129	75.1 Å²	75.1	66%	0.662	40%	0.404	S	S	*	.	H	α-helix	trans	-59	-30.7	-174.4	-135.9	164.2	0	0	0	112	Y225 I230 S231	Y225-I227 PolarHBondContact O-N 2.89Å; I227-I230 PolarHBondContact O-N 2.87Å; I227-S231 VanDerWaalsContact O-CB 3.23Å; I227-S231 WeakPolarHBondContact O-CB 3.44Å; I227-S231 PolarHBondContact O-N 3.23Å; I227-S231 PolarHBondContact O-OG 2.9Å; I227-S231 VanDerWaalsContact O-OG 3.07Å
228	C	79.4	Confident	69.8	Low	72 Å²	72	70.9 Å²	70.9	49%	0.486	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-36.6	175.2	58.7	0	0	0	0	112.7	P226 N232	P226-C228 PolarHBondContact O-N 2.86Å; P226-C228 VanDerWaalsContact O-N 3.11Å; C228-N232 WeakPolarHBondContact O-CB 3.4Å; C228-N232 PolarHBondContact O-N 3.13Å
229	T	84	Confident	72.6	Confident	17 Å²	17	65.8 Å²	65.8	10%	0.104	35%	0.353	C	S	.	.	H	α-helix	trans	-69	-47.2	176	-55.2	0	0	0	0	110.1	P226 S231 T233 H239	P226-T229 WeakPolarHBondContact O-CA 3.5Å; P226-T229 WeakPolarHBondContact O-CB 3.31Å; P226-T229 PolarHBondContact O-N 3.11Å; T229-S231 PolarHBondContact O-N 3.07Å; T229-T233 WeakPolarHBondContact CG2-O 3.5Å; T229-T233 CarbonylContact O-C 3.54Å; T229-T233 PolarHBondContact O-N 3.47Å; T229-T233 VanDerWaalsContact O-N 3.14Å; T229-H239 VanDerWaalsContact CG2-CE1 3.5Å; T229-H239 WeakPolarHBondContact CG2-CE1 3.34Å
230	I	84.8	Confident	75.6	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-45	178.7	-54.8	175.8	0	0	0	110.9	Y225 P226 I227 E242 Y243 L246 R288	Y225-I230 VanDerWaalsContact CB-CG1 3.49Å; Y225-I230 HydrophobicContact CG-CG1 4.45Å; P226-I230 PolarHBondContact O-N 3.48Å; I227-I230 PolarHBondContact O-N 2.87Å; I230-E242 HydrophobicContact CD1-CB 4.26Å; I230-Y243 VanDerWaalsContact CG2-CB 3.48Å; I230-Y243 HydrophobicContact CG2-CD2 3.98Å; I230-Y243 HydrophobicContact CG2-CG 4.23Å; I230-Y243 VanDerWaalsContact CG2-N 3.34Å; I230-Y243 WeakPolarHBondContact O-CD2 3.32Å; I230-L246 HydrophobicContact CD1-CD1 4.27Å; I230-R288 PolarHBondContact O-NH2 2.86Å
231	S	84.6	Confident	78.4	Confident	35 Å²	35	52.7 Å²	52.7	25%	0.245	29%	0.29	C	S	.	.	H	α-helix	trans	-82.7	-34.6	-172.5	-64	0	0	0	0	114.7	I227 T229 R288	I227-S231 VanDerWaalsContact O-CB 3.23Å; I227-S231 WeakPolarHBondContact O-CB 3.44Å; I227-S231 PolarHBondContact O-N 3.23Å; I227-S231 PolarHBondContact O-OG 2.9Å; I227-S231 VanDerWaalsContact O-OG 3.07Å; T229-S231 PolarHBondContact O-N 3.07Å; S231-R288 PolarHBondContact O-NH2 3.32Å
232	N	88.2	Confident	80.7	Confident	119 Å²	119	51.6 Å²	51.6	64%	0.636	28%	0.281	S	S	*	.	H	α-helix	trans	-119.1	-32.6	-170.7	-61.2	-25.6	0	0	0	114	C228	C228-N232 WeakPolarHBondContact O-CB 3.4Å; C228-N232 PolarHBondContact O-N 3.13Å
233	T	90.6	Very high	83	Confident	70 Å²	70	51.1 Å²	51.1	43%	0.429	27%	0.273	S	S	.	.			trans	-137.3	60	-172.8	55.1	0	0	0	0	112.3	T229 R235	T229-T233 WeakPolarHBondContact CG2-O 3.5Å; T229-T233 CarbonylContact O-C 3.54Å; T229-T233 PolarHBondContact O-N 3.47Å; T229-T233 VanDerWaalsContact O-N 3.14Å; T233-R235 WeakPolarHBondContact O-CG 3.3Å
234	P	90.5	Very high	85.2	Confident	11 Å²	11	49.6 Å²	49.6	7%	0.071	26%	0.263	C	S	.	.			trans	-62.3	146.9	174.6	30.6	-36.5	0	0	0	110	H239 F292 I294	P234-H239 HydrophobicContact CB-CB 3.8Å; P234-F292 VanDerWaalsContact CD-CE1 3.42Å; P234-F292 HydrophobicContact CG-CB 4.07Å; P234-F292 HydrophobicContact CG-CD1 3.47Å; P234-F292 VanDerWaalsContact CG-CD1 3.47Å; P234-F292 HydrophobicContact CG-CD2 3.55Å; P234-F292 HydrophobicContact CG-CE1 3.69Å; P234-F292 HydrophobicContact CG-CE2 3.81Å; P234-F292 HydrophobicContact CG-CG 3.39Å; P234-F292 HydrophobicContact CG-CZ 3.86Å; P234-I294 HydrophobicContact CB-CD1 3.84Å; P234-I294 HydrophobicContact CG-CD1 4.11Å
235	R	90.1	Very high	86.9	Confident	184 Å²	184	47 Å²	47	69%	0.694	24%	0.242	S	C	*	.			trans	-138.5	-15.3	-173.3	-50	-179.3	-156.5	170.2	3.1	113	T233 H239	T233-R235 WeakPolarHBondContact O-CG 3.3Å; R235-H239 PolarHBondContact N-ND1 3.43Å
236	S	91.6	Very high	87.8	Confident	26 Å²	26	48.5 Å²	48.5	18%	0.182	25%	0.254	C	S	.	.	S	Bend	trans	-136.1	156.5	-178.9	86	0	0	0	0	109.1	E238 H239	S236-E238 WeakPolarHBondContact CB-OE2 3.27Å; S236-E238 PolarHBondContact O-N 3.02Å; S236-E238 PolarHBondContact OG-N 2.86Å; S236-E238 PolarHBondContact OG-OE2 3.2Å; S236-H239 WeakPolarHBondContact O-CB 3.37Å; S236-H239 PolarHBondContact O-N 3.46Å; S236-H239 PolarHBondContact OG-CD2 3.1Å; S236-H239 PolarHBondContact OG-N 2.97Å
237	P	93.5	Very high	88.4	Confident	24 Å²	24	46.3 Å²	46.3	16%	0.156	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-30	178.5	23.7	-34.4	0	0	0	112.7	H239 C240 I241 I294 V297 L301	P237-H239 VanDerWaalsContact C-N 3.35Å; P237-H239 PolarHBondContact O-N 3.23Å; P237-C240 WeakPolarHBondContact O-CB 3.44Å; P237-C240 PolarHBondContact O-N 2.95Å; P237-I241 WeakPolarHBondContact O-CG1 3.45Å; P237-I241 PolarHBondContact O-N 3.32Å; P237-I294 HydrophobicContact CB-CG2 4.48Å; P237-V297 HydrophobicContact CB-CB 4.39Å; P237-V297 HydrophobicContact CB-CG2 3.54Å; P237-L301 HydrophobicContact CB-CD2 3.68Å; P237-L301 HydrophobicContact CG-CD2 3.65Å
238	E	90.9	Very high	89.1	Confident	40 Å²	40	40.7 Å²	40.7	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-36.3	174.6	-57.4	83.7	175.4	0	0	112.5	Y225 S236 C240 I241 E242 L301 V305	Y225-E238 HydrophobicContact CE2-CB 4.2Å; Y225-E238 WeakPolarHBondContact OH-CB 3.39Å; S236-E238 WeakPolarHBondContact CB-OE2 3.27Å; S236-E238 PolarHBondContact O-N 3.02Å; S236-E238 PolarHBondContact OG-N 2.86Å; S236-E238 PolarHBondContact OG-OE2 3.2Å; E238-C240 VanDerWaalsContact C-N 3.27Å; E238-C240 PolarHBondContact O-N 2.98Å; E238-I241 PolarHBondContact O-N 3.39Å; E238-E242 PolarHBondContact O-N 3.13Å; E238-L301 HydrophobicContact CG-CD1 4.31Å; E238-V305 HydrophobicContact CB-CG2 4.21Å; E238-V305 HydrophobicContact CG-CG2 3.89Å
239	H	91.7	Very high	89.5	Confident	21 Å²	21	37.9 Å²	37.9	10%	0.097	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-40.1	174.9	-62.6	179.6	0	0	0	110.7	Y225 T229 P234 R235 S236 P237 Y243	Y225-H239 AromaticContact CD1-CD2 3.21Å; Y225-H239 WeakPolarHBondContact CD1-CD2 3.36Å; Y225-H239 AromaticContact CD1-NE2 3.12Å; Y225-H239 WeakPolarHBondContact CD1-NE2 3.12Å; Y225-H239 AromaticContact CE1-CD2 3.22Å; Y225-H239 WeakPolarHBondContact CE1-CD2 3.37Å; Y225-H239 AromaticContact CE1-NE2 3.19Å; Y225-H239 WeakPolarHBondContact CE1-NE2 3.47Å; Y225-H239 AromaticContact CG-CD2 3.76Å; Y225-H239 AromaticContact CZ-CD2 3.82Å; T229-H239 VanDerWaalsContact CG2-CE1 3.5Å; T229-H239 WeakPolarHBondContact CG2-CE1 3.34Å; P234-H239 HydrophobicContact CB-CB 3.8Å; R235-H239 PolarHBondContact N-ND1 3.43Å; S236-H239 WeakPolarHBondContact O-CB 3.37Å; S236-H239 PolarHBondContact O-N 3.46Å; S236-H239 PolarHBondContact OG-CD2 3.1Å; S236-H239 PolarHBondContact OG-N 2.97Å; P237-H239 VanDerWaalsContact C-N 3.35Å; P237-H239 PolarHBondContact O-N 3.23Å; H239-Y243 WeakPolarHBondContact O-CB 3.42Å; H239-Y243 PolarHBondContact O-N 3.32Å
240	C	93.6	Very high	89.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-40.2	177.7	-61.6	0	0	0	0	111.6	P237 E238 Y243 A244 R288 A289 V297	P237-C240 WeakPolarHBondContact O-CB 3.44Å; P237-C240 PolarHBondContact O-N 2.95Å; E238-C240 VanDerWaalsContact C-N 3.27Å; E238-C240 PolarHBondContact O-N 2.98Å; C240-Y243 PolarHBondContact O-N 3.33Å; C240-A244 PolarHBondContact O-N 3.27Å; C240-A244 VanDerWaalsContact O-N 3.08Å; C240-R288 HydrophobicContact CB-CB 4.29Å; C240-R288 HydrophobicContact CB-CG 4.2Å; C240-A289 HydrophobicContact CB-CB 4.15Å; C240-V297 HydrophobicContact CB-CG2 4.39Å
241	I	93.8	Very high	89.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-45	176.5	-63.9	158.6	0	0	0	111.3	P237 E238 Y243 A244 R245 I281 A285 V297 L301 T302 V305 V306	P237-I241 WeakPolarHBondContact O-CG1 3.45Å; P237-I241 PolarHBondContact O-N 3.32Å; E238-I241 PolarHBondContact O-N 3.39Å; I241-Y243 VanDerWaalsContact C-N 3.3Å; I241-Y243 PolarHBondContact O-N 2.96Å; I241-A244 PolarHBondContact O-N 2.96Å; I241-R245 WeakPolarHBondContact O-CB 3.42Å; I241-R245 PolarHBondContact O-N 3.38Å; I241-I281 HydrophobicContact CG2-CG2 4.12Å; I241-A285 HydrophobicContact CB-CB 4.24Å; I241-A285 HydrophobicContact CG1-CB 3.63Å; I241-V297 HydrophobicContact CG1-CG1 4.36Å; I241-L301 HydrophobicContact CD1-CB 4.27Å; I241-L301 HydrophobicContact CD1-CD2 3.91Å; I241-L301 HydrophobicContact CD1-CG 3.71Å; I241-T302 HydrophobicContact CG2-CG2 4.05Å; I241-V305 HydrophobicContact CB-CB 4.41Å; I241-V305 HydrophobicContact CB-CG1 4.15Å; I241-V305 HydrophobicContact CD1-CG2 4.12Å; I241-V305 HydrophobicContact CG2-CB 3.76Å; I241-V305 HydrophobicContact CG2-CG1 3.6Å; I241-V305 HydrophobicContact CG2-CG2 4.43Å; I241-V306 HydrophobicContact CG2-CG2 4.3Å
242	E	88.1	Confident	89.8	Confident	11 Å²	11	48.2 Å²	48.2	5%	0.051	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-31.5	176.8	-77.4	-66.5	162.1	0	0	112.3	Y225 I230 E238 R245 L246 V305	Y225-E242 HydrophobicContact CD2-CB 4.23Å; Y225-E242 HydrophobicContact CD2-CG 3.85Å; Y225-E242 HydrophobicContact CE2-CG 3.89Å; I230-E242 HydrophobicContact CD1-CB 4.26Å; E238-E242 PolarHBondContact O-N 3.13Å; E242-R245 PolarHBondContact O-N 3.45Å; E242-R245 IonicContact OE1-CZ 2.79Å; E242-R245 IonicContact OE1-NH1 3.76Å; E242-R245 PolarHBondContact OE1-NH1 3.34Å; E242-R245 IonicContact OE2-CZ 2.63Å; E242-R245 IonicContact OE2-NH1 2.55Å; E242-R245 PolarHBondContact OE2-NH1 3.4Å; E242-L246 WeakPolarHBondContact O-CB 3.12Å; E242-L246 WeakPolarHBondContact O-CG 3.39Å; E242-L246 PolarHBondContact O-N 2.77Å; E242-L246 WeakPolarHBondContact OE2-CD1 3.23Å; E242-V305 HydrophobicContact CG-CG1 3.82Å; E242-V305 VanDerWaalsContact OE1-CG1 3.28Å; E242-V305 WeakPolarHBondContact OE1-CG1 3.47Å
243	Y	91.8	Very high	89.6	Confident	52 Å²	52	48.7 Å²	48.7	20%	0.204	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-49.2	170.3	-176.9	-93.7	0	0	0	111.1	I230 H239 C240 I241 R245 V247 S248 R288	I230-Y243 VanDerWaalsContact CG2-CB 3.48Å; I230-Y243 HydrophobicContact CG2-CD2 3.98Å; I230-Y243 HydrophobicContact CG2-CG 4.23Å; I230-Y243 VanDerWaalsContact CG2-N 3.34Å; I230-Y243 WeakPolarHBondContact O-CD2 3.32Å; H239-Y243 WeakPolarHBondContact O-CB 3.42Å; H239-Y243 PolarHBondContact O-N 3.32Å; C240-Y243 PolarHBondContact O-N 3.33Å; I241-Y243 VanDerWaalsContact C-N 3.3Å; I241-Y243 PolarHBondContact O-N 2.96Å; Y243-R245 VanDerWaalsContact C-N 3.3Å; Y243-R245 PolarHBondContact O-N 2.7Å; Y243-V247 HydrophobicContact CD2-CB 3.94Å; Y243-V247 HydrophobicContact CD2-CG1 4.34Å; Y243-V247 HydrophobicContact CD2-CG2 3.92Å; Y243-V247 HydrophobicContact CE2-CB 3.82Å; Y243-V247 HydrophobicContact CE2-CG1 3.71Å; Y243-V247 HydrophobicContact CE2-CG2 4.06Å; Y243-V247 HydrophobicContact CG-CB 4.37Å; Y243-V247 WeakPolarHBondContact O-CA 3.24Å; Y243-V247 WeakPolarHBondContact O-CB 3.37Å; Y243-V247 PolarHBondContact O-N 2.98Å; Y243-S248 WeakPolarHBondContact CE1-OG 3.33Å; Y243-S248 PolarHBondContact O-N 3.5Å; Y243-R288 HydrophobicContact CD1-CG 4.09Å; Y243-R288 HydrophobicContact CG-CG 4.49Å
244	A	92.8	Very high	89.3	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-60.1	-42.7	178.6	0	0	0	0	0	111.7	C240 I241 S248 W249 I281 K284 A285	C240-A244 PolarHBondContact O-N 3.27Å; C240-A244 VanDerWaalsContact O-N 3.08Å; I241-A244 PolarHBondContact O-N 2.96Å; A244-S248 WeakPolarHBondContact O-CB 3.32Å; A244-W249 PolarHBondContact O-N 3.05Å; A244-I281 HydrophobicContact CB-CG2 3.96Å; A244-K284 HydrophobicContact CB-CB 3.69Å; A244-A285 HydrophobicContact CB-CB 4.22Å
245	R	88.8	Confident	89	Confident	45 Å²	45	49.7 Å²	49.7	17%	0.17	24%	0.237	C	C	.	.	I	π-helix	trans	-68.7	-48	180	-178.9	-174.8	167.3	-126.5	-8.7	113.3	I241 E242 Y243 W249 I270 R308	I241-R245 WeakPolarHBondContact O-CB 3.42Å; I241-R245 PolarHBondContact O-N 3.38Å; E242-R245 PolarHBondContact O-N 3.45Å; E242-R245 IonicContact OE1-CZ 2.79Å; E242-R245 IonicContact OE1-NH1 3.76Å; E242-R245 PolarHBondContact OE1-NH1 3.34Å; E242-R245 IonicContact OE2-CZ 2.63Å; E242-R245 IonicContact OE2-NH1 2.55Å; E242-R245 PolarHBondContact OE2-NH1 3.4Å; Y243-R245 VanDerWaalsContact C-N 3.3Å; Y243-R245 PolarHBondContact O-N 2.7Å; R245-W249 VanDerWaalsContact O-CB 3.32Å; R245-W249 WeakPolarHBondContact O-CB 3.44Å; R245-I270 HydrophobicContact CB-CD1 4.37Å; R245-I270 HydrophobicContact CG-CD1 3.6Å; R245-I270 WeakPolarHBondContact O-CD1 3.36Å; R245-R308 VanDerWaalsContact NH1-NH2 3.11Å
246	L	85.1	Confident	88.3	Confident	82 Å²	82	44.1 Å²	44.1	43%	0.429	22%	0.219	S	C	.	.	I	π-helix	trans	-91.2	-39.5	-172.2	-64.5	175.5	0	0	0	112.8	I230 E242 T250	I230-L246 HydrophobicContact CD1-CD1 4.27Å; E242-L246 WeakPolarHBondContact O-CB 3.12Å; E242-L246 WeakPolarHBondContact O-CG 3.39Å; E242-L246 PolarHBondContact O-N 2.77Å; E242-L246 WeakPolarHBondContact OE2-CD1 3.23Å; L246-T250 VanDerWaalsContact O-CG2 3.23Å; L246-T250 WeakPolarHBondContact O-CG2 3.12Å; L246-T250 PolarHBondContact O-OG1 2.85Å
247	V	87.4	Confident	87	Confident	32 Å²	32	45.3 Å²	45.3	19%	0.194	24%	0.235	C	C	.	.	I	π-helix	trans	-101.1	-55.6	-171.6	-174.4	0	0	0	0	111.2	Y243 W249 T250 T251	Y243-V247 HydrophobicContact CD2-CB 3.94Å; Y243-V247 HydrophobicContact CD2-CG1 4.34Å; Y243-V247 HydrophobicContact CD2-CG2 3.92Å; Y243-V247 HydrophobicContact CE2-CB 3.82Å; Y243-V247 HydrophobicContact CE2-CG1 3.71Å; Y243-V247 HydrophobicContact CE2-CG2 4.06Å; Y243-V247 HydrophobicContact CG-CB 4.37Å; Y243-V247 WeakPolarHBondContact O-CA 3.24Å; Y243-V247 WeakPolarHBondContact O-CB 3.37Å; Y243-V247 PolarHBondContact O-N 2.98Å; V247-W249 PolarHBondContact O-N 3.26Å; V247-T250 PolarHBondContact O-N 3.22Å; V247-T250 PolarHBondContact O-OG1 2.88Å; V247-T251 WeakPolarHBondContact O-CB 3.44Å; V247-T251 PolarHBondContact O-N 2.9Å; V247-T251 PolarHBondContact O-OG1 2.83Å
248	S	89.8	Confident	85.1	Confident	10 Å²	10	52.8 Å²	52.8	7%	0.07	27%	0.274	C	S	.	.	I	π-helix	trans	-64.8	-44.5	-177	-56.2	0	0	0	0	111.6	Y243 A244 T250 T251 E252	Y243-S248 WeakPolarHBondContact CE1-OG 3.33Å; Y243-S248 PolarHBondContact O-N 3.5Å; A244-S248 WeakPolarHBondContact O-CB 3.32Å; S248-T250 VanDerWaalsContact C-N 3.31Å; S248-T250 PolarHBondContact O-N 3.46Å; S248-T251 PolarHBondContact O-N 2.87Å; S248-E252 WeakPolarHBondContact O-CB 3.37Å; S248-E252 PolarHBondContact O-N 3.26Å
249	W	87.9	Confident	83.3	Confident	14 Å²	14	56.8 Å²	56.8	5%	0.053	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-44.4	179.1	-172.5	-84	0	0	0	112.3	A244 R245 V247 R253 P254 F255 K268 I270 H277 W280 I281	A244-W249 PolarHBondContact O-N 3.05Å; R245-W249 VanDerWaalsContact O-CB 3.32Å; R245-W249 WeakPolarHBondContact O-CB 3.44Å; V247-W249 PolarHBondContact O-N 3.26Å; W249-R253 WeakPolarHBondContact O-CA 3.35Å; W249-R253 PolarHBondContact O-N 3.38Å; W249-P254 HydrophobicContact CD2-CG 3.68Å; W249-P254 HydrophobicContact CE3-CG 3.48Å; W249-P254 VanDerWaalsContact CE3-CG 3.48Å; W249-P254 HydrophobicContact CG-CG 4.35Å; W249-P254 HydrophobicContact CH2-CG 4.02Å; W249-P254 HydrophobicContact CZ2-CG 4.22Å; W249-P254 HydrophobicContact CZ3-CG 3.66Å; W249-P254 WeakPolarHBondContact O-CD 3.35Å; W249-F255 AromaticContact CH2-CD2 3.53Å; W249-F255 HydrophobicContact CH2-CD2 3.53Å; W249-F255 AromaticContact CH2-CE2 3.75Å; W249-F255 HydrophobicContact CH2-CE2 3.75Å; W249-F255 HydrophobicContact CZ2-CD2 4.27Å; W249-F255 HydrophobicContact CZ3-CD2 4.07Å; W249-F255 AromaticContact CZ3-CE2 3.88Å; W249-F255 HydrophobicContact CZ3-CE2 3.88Å; W249-K268 PolarHBondContact NE1-O 3.37Å; W249-I270 HydrophobicContact CB-CD1 4.01Å; W249-I270 HydrophobicContact CB-CG1 4.5Å; W249-I270 HydrophobicContact CD2-CD1 3.84Å; W249-I270 HydrophobicContact CD2-CG1 3.42Å; W249-I270 VanDerWaalsContact CD2-CG1 3.42Å; W249-I270 VanDerWaalsContact CE2-CG1 3.42Å; W249-I270 HydrophobicContact CE3-CD1 4.26Å; W249-I270 HydrophobicContact CE3-CG1 3.94Å; W249-I270 HydrophobicContact CG-CD1 3.68Å; W249-I270 HydrophobicContact CG-CG1 3.65Å; W249-I270 HydrophobicContact CH2-CG1 4.45Å; W249-I270 HydrophobicContact CZ2-CG1 3.97Å; W249-I270 HydrophobicContact CZ3-CG1 4.43Å; W249-H277 HydrophobicContact CH2-CB 3.89Å; W249-H277 AromaticContact CH2-CD2 3.69Å; W249-H277 AromaticContact CH2-CE1 3.82Å; W249-H277 AromaticContact CH2-CG 3.45Å; W249-H277 VanDerWaalsContact CH2-CG 3.45Å; W249-H277 AromaticContact CH2-ND1 3.56Å; W249-H277 AromaticContact CH2-NE2 3.91Å; W249-H277 AromaticContact CZ2-CE1 3.97Å; W249-H277 AromaticContact CZ2-ND1 3.98Å; W249-H277 HydrophobicContact CZ3-CB 4.13Å; W249-W280 HydrophobicContact CB-CH2 4.49Å; W249-W280 HydrophobicContact CB-CZ3 4.07Å; W249-W280 HydrophobicContact CD2-CZ3 4.41Å; W249-W280 HydrophobicContact CE3-CD2 4.34Å; W249-W280 AromaticContact CE3-CE3 3.5Å; W249-W280 HydrophobicContact CE3-CE3 3.5Å; W249-W280 AromaticContact CE3-CZ3 3.66Å; W249-W280 HydrophobicContact CE3-CZ3 3.66Å; W249-W280 HydrophobicContact CZ3-CD2 4.39Å; W249-W280 AromaticContact CZ3-CE3 3.88Å; W249-W280 HydrophobicContact CZ3-CE3 3.88Å; W249-W280 HydrophobicContact CZ3-CZ3 4.47Å; W249-I281 HydrophobicContact CE3-CD1 4.31Å; W249-I281 HydrophobicContact CE3-CG1 4.05Å; W249-I281 HydrophobicContact CZ3-CD1 4.46Å; W249-I281 HydrophobicContact CZ3-CG1 4.28Å
250	T	84.4	Confident	81	Confident	72 Å²	72	59.8 Å²	59.8	44%	0.442	32%	0.319	S	S	.	.	H	α-helix	trans	-73.3	-31.1	-178.1	55.2	0	0	0	0	112.6	L246 V247 S248	L246-T250 VanDerWaalsContact O-CG2 3.23Å; L246-T250 WeakPolarHBondContact O-CG2 3.12Å; L246-T250 PolarHBondContact O-OG1 2.85Å; V247-T250 PolarHBondContact O-N 3.22Å; V247-T250 PolarHBondContact O-OG1 2.88Å; S248-T250 VanDerWaalsContact C-N 3.31Å; S248-T250 PolarHBondContact O-N 3.46Å
251	T	86.4	Confident	78.9	Confident	102 Å²	102	70 Å²	70	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-80.4	-48.6	-179.4	-53.5	0	0	0	0	111.8	V247 S248	V247-T251 WeakPolarHBondContact O-CB 3.44Å; V247-T251 PolarHBondContact O-N 2.9Å; V247-T251 PolarHBondContact O-OG1 2.83Å; S248-T251 PolarHBondContact O-N 2.87Å
252	E	88.7	Confident	76.7	Confident	98 Å²	98	79 Å²	79	46%	0.458	40%	0.404	S	S	.	.	H	α-helix	trans	-87.7	-17.7	-173.3	-62.1	-173.7	-143.3	0	0	113.5	S248 W280 K284	S248-E252 WeakPolarHBondContact O-CB 3.37Å; S248-E252 PolarHBondContact O-N 3.26Å; E252-W280 HydrophobicContact CB-CH2 4.39Å; E252-W280 HydrophobicContact CB-CZ2 4.04Å; E252-K284 WeakPolarHBondContact OE1-CE 3.48Å; E252-K284 IonicContact OE1-NZ 3.74Å; E252-K284 PolarHBondContact OE1-NZ 3.29Å; E252-K284 WeakPolarHBondContact OE2-CE 3.35Å; E252-K284 IonicContact OE2-NZ 3.55Å; E252-K284 PolarHBondContact OE2-NZ 2.84Å
253	R	83.8	Confident	74.5	Confident	129 Å²	129	82 Å²	82	49%	0.487	43%	0.425	S	S	.	.			trans	49.8	55.2	177.6	-57.3	-179.1	-176.7	-166.2	6.1	113.1	W249 E256	W249-R253 WeakPolarHBondContact O-CA 3.35Å; W249-R253 PolarHBondContact O-N 3.38Å; R253-E256 HydrophobicContact CB-CB 4.29Å; R253-E256 HydrophobicContact CB-CG 4.35Å; R253-E256 WeakPolarHBondContact CD-OE2 3.44Å; R253-E256 PolarHBondContact O-N 3.48Å
254	P	84	Confident	72.3	Confident	14 Å²	14	90 Å²	90	9%	0.091	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	146.4	179	33.5	-38.7	0	0	0	110	W249 E256 W280	W249-P254 HydrophobicContact CD2-CG 3.68Å; W249-P254 HydrophobicContact CE3-CG 3.48Å; W249-P254 VanDerWaalsContact CE3-CG 3.48Å; W249-P254 HydrophobicContact CG-CG 4.35Å; W249-P254 HydrophobicContact CH2-CG 4.02Å; W249-P254 HydrophobicContact CZ2-CG 4.22Å; W249-P254 HydrophobicContact CZ3-CG 3.66Å; W249-P254 WeakPolarHBondContact O-CD 3.35Å; P254-E256 PolarHBondContact O-N 3.09Å; P254-E256 VanDerWaalsContact O-N 3.07Å; P254-W280 HydrophobicContact CB-CD2 3.81Å; P254-W280 HydrophobicContact CB-CG 4.09Å; P254-W280 HydrophobicContact CB-CH2 4.46Å; P254-W280 HydrophobicContact CB-CZ2 3.76Å; P254-W280 HydrophobicContact CG-CD2 3.7Å; P254-W280 HydrophobicContact CG-CE3 3.89Å; P254-W280 HydrophobicContact CG-CG 4.38Å; P254-W280 HydrophobicContact CG-CH2 3.79Å; P254-W280 HydrophobicContact CG-CZ2 3.59Å; P254-W280 HydrophobicContact CG-CZ3 3.94Å
255	F	85.5	Confident	70.2	Confident	88 Å²	88	94.1 Å²	94.1	39%	0.386	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	3.7	179.3	-42.8	-81.9	0	0	0	116.1	W249 K268 A276 H277 W280	W249-F255 AromaticContact CH2-CD2 3.53Å; W249-F255 HydrophobicContact CH2-CD2 3.53Å; W249-F255 AromaticContact CH2-CE2 3.75Å; W249-F255 HydrophobicContact CH2-CE2 3.75Å; W249-F255 HydrophobicContact CZ2-CD2 4.27Å; W249-F255 HydrophobicContact CZ3-CD2 4.07Å; W249-F255 AromaticContact CZ3-CE2 3.88Å; W249-F255 HydrophobicContact CZ3-CE2 3.88Å; F255-K268 HydrophobicContact CB-CD 4.03Å; F255-A276 HydrophobicContact CE1-CB 4.04Å; F255-A276 HydrophobicContact CZ-CB 4.13Å; F255-A276 WeakPolarHBondContact CZ-O 3.3Å; F255-H277 AromaticContact CD2-CD2 3.7Å; F255-H277 AromaticContact CD2-NE2 3.97Å; F255-H277 AromaticContact CE2-CD2 3.77Å; F255-W280 HydrophobicContact CE2-CB 3.82Å; F255-W280 HydrophobicContact CE2-CG 4.01Å; F255-W280 HydrophobicContact CZ-CB 3.89Å; F255-W280 HydrophobicContact CZ-CG 4.3Å
256	E	74.1	Confident	68.5	Low	66 Å²	66	101.3 Å²	101.3	31%	0.308	52%	0.518	S	S	.	.			trans	-83.4	107.6	160	-62.8	-173.7	177.7	0	0	105.8	R253 P254 R267 K268	R253-E256 HydrophobicContact CB-CB 4.29Å; R253-E256 HydrophobicContact CB-CG 4.35Å; R253-E256 WeakPolarHBondContact CD-OE2 3.44Å; R253-E256 PolarHBondContact O-N 3.48Å; P254-E256 PolarHBondContact O-N 3.09Å; P254-E256 VanDerWaalsContact O-N 3.07Å; E256-R267 WeakPolarHBondContact OE1-CA 3.45Å; E256-K268 HydrophobicContact CG-CB 3.93Å; E256-K268 PolarHBondContact OE1-N 2.98Å
257	G	64.1	Low	67.3	Low	51 Å²	51	106.2 Å²	106.2	53%	0.526	53%	0.531	S	S	.	.			trans	-57.4	174.7	174.6	0	0	0	0	0	111.2	L259	G257-L259 PolarHBondContact O-N 3.33Å
258	N	54.2	Low	66.6	Low	181 Å²	181	108.7 Å²	108.7	97%	0.968	54%	0.539	S	S	*	.	S	Bend	trans	-64.8	50.6	176.8	-74.5	-19.3	0	0	0	113.5	S260	N258-S260 PolarHBondContact O-N 3.25Å
259	L	52.7	Low	66	Low	124 Å²	124	112 Å²	112	65%	0.649	57%	0.568	S	S	*	*			trans	-76.4	112.9	168.5	-85.4	104.6	0	0	0	108	G257 V265	G257-L259 PolarHBondContact O-N 3.33Å; L259-V265 HydrophobicContact CD2-CG2 4.26Å
260	S	43.9	Very low	65.8	Low	85 Å²	85	113.7 Å²	113.7	59%	0.594	58%	0.577	S	S	*	*			trans	-32.6	136.7	175.9	55.7	0	0	0	0	113.5	N258 F262 C263	N258-S260 PolarHBondContact O-N 3.25Å; S260-F262 PolarHBondContact O-N 3.41Å; S260-C263 PolarHBondContact O-N 2.89Å; S260-C263 VanDerWaalsContact O-N 3.08Å
261	F	50.1	Low	65.8	Low	213 Å²	213	113.7 Å²	113.7	93%	0.934	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.3	-10.2	176.9	-161.7	-99	0	0	0	116.5
262	F	47	Very low	65.6	Low	191 Å²	191	109.5 Å²	109.5	84%	0.838	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-6.6	-175.8	-137.2	-93.5	0	0	0	115.2	S260	S260-F262 PolarHBondContact O-N 3.41Å
263	C	41.6	Very low	65.2	Low	73 Å²	73	108.9 Å²	108.9	49%	0.493	55%	0.551	S	S	.	*			trans	-89.9	117.2	-178.1	-152.7	0	0	0	0	109.6	S260 V265	S260-C263 PolarHBondContact O-N 2.89Å; S260-C263 VanDerWaalsContact O-N 3.08Å; C263-V265 HydrophobicContact CB-CG2 3.53Å; C263-V265 PolarHBondContact O-N 2.8Å; C263-V265 WeakPolarHBondContact SG-CG2 3.35Å
264	F	46.2	Very low	65.4	Low	221 Å²	221	105 Å²	105	97%	0.969	54%	0.54	S	S	*	.			trans	-63.4	42.5	166.5	-102.3	-91.8	0	0	0	111.4	K266	F264-K266 PolarHBondContact O-N 3.16Å
265	V	49.6	Very low	65.7	Low	85 Å²	85	108.6 Å²	108.6	52%	0.515	56%	0.563	S	S	.	*			trans	-70.1	124.9	176.3	-173.5	0	0	0	0	106.7	L259 C263 R267	L259-V265 HydrophobicContact CD2-CG2 4.26Å; C263-V265 HydrophobicContact CB-CG2 3.53Å; C263-V265 PolarHBondContact O-N 2.8Å; C263-V265 WeakPolarHBondContact SG-CG2 3.35Å; V265-R267 PolarHBondContact O-N 2.86Å; V265-R267 VanDerWaalsContact O-N 3.09Å
266	K	52.7	Low	66.1	Low	197 Å²	197	106.5 Å²	106.5	86%	0.857	56%	0.562	S	S	*	*			trans	-46.4	120.3	169.6	-72.7	-178.2	174.7	-179.4	0	108.4	F264 K268	F264-K266 PolarHBondContact O-N 3.16Å; K266-K268 PolarHBondContact O-N 3.47Å
267	R	59.8	Low	67	Low	184 Å²	184	103.5 Å²	103.5	69%	0.694	55%	0.548	S	S	*	.			trans	-45.3	132.8	174.9	-66.3	180	-177.9	173.2	-0.4	109.1	E256 V265 A269	E256-R267 WeakPolarHBondContact OE1-CA 3.45Å; V265-R267 PolarHBondContact O-N 2.86Å; V265-R267 VanDerWaalsContact O-N 3.09Å; R267-A269 PolarHBondContact O-N 3.29Å
268	K	71.8	Confident	68.3	Low	85 Å²	85	101.1 Å²	101.1	37%	0.37	52%	0.524	S	S	.	.			trans	-65.7	111.2	-179.9	-165.4	179.7	-173.3	-170	0	108.3	W249 F255 E256 K266 H277	W249-K268 PolarHBondContact NE1-O 3.37Å; F255-K268 HydrophobicContact CB-CD 4.03Å; E256-K268 HydrophobicContact CG-CB 3.93Å; E256-K268 PolarHBondContact OE1-N 2.98Å; K266-K268 PolarHBondContact O-N 3.47Å; K268-H277 PolarHBondContact NZ-NE2 3.34Å
269	A	78	Confident	70.3	Confident	80 Å²	80	95.5 Å²	95.5	66%	0.661	49%	0.493	S	S	*	.			trans	-65.4	147.8	177.8	0	0	0	0	0	110.1	R267 D271	R267-A269 PolarHBondContact O-N 3.29Å; A269-D271 PolarHBondContact O-N 2.91Å
270	I	83.9	Confident	72.4	Confident	49 Å²	49	91.2 Å²	91.2	25%	0.251	47%	0.469	S	S	.	.			trans	-67.3	106.1	173.1	-62.5	172.4	0	0	0	107.8	R245 W249 G272 I281 V306	R245-I270 HydrophobicContact CB-CD1 4.37Å; R245-I270 HydrophobicContact CG-CD1 3.6Å; R245-I270 WeakPolarHBondContact O-CD1 3.36Å; W249-I270 HydrophobicContact CB-CD1 4.01Å; W249-I270 HydrophobicContact CB-CG1 4.5Å; W249-I270 HydrophobicContact CD2-CD1 3.84Å; W249-I270 HydrophobicContact CD2-CG1 3.42Å; W249-I270 VanDerWaalsContact CD2-CG1 3.42Å; W249-I270 VanDerWaalsContact CE2-CG1 3.42Å; W249-I270 HydrophobicContact CE3-CD1 4.26Å; W249-I270 HydrophobicContact CE3-CG1 3.94Å; W249-I270 HydrophobicContact CG-CD1 3.68Å; W249-I270 HydrophobicContact CG-CG1 3.65Å; W249-I270 HydrophobicContact CH2-CG1 4.45Å; W249-I270 HydrophobicContact CZ2-CG1 3.97Å; W249-I270 HydrophobicContact CZ3-CG1 4.43Å; I270-G272 PolarHBondContact O-N 3Å; I270-I281 HydrophobicContact CD1-CD1 4.2Å; I270-I281 HydrophobicContact CG2-CD1 3.71Å; I270-V306 HydrophobicContact CG2-CG1 3.91Å
271	D	83.8	Confident	74.8	Confident	71 Å²	71	87.2 Å²	87.2	38%	0.38	44%	0.44	S	S	.	.			trans	-75.5	109.9	163	-175.9	-7.6	0	0	0	109.7	A269 D273 N274 H277	A269-D271 PolarHBondContact O-N 2.91Å; D271-D273 PolarHBondContact O-N 3.26Å; D271-D273 WeakPolarHBondContact OD1-CA 3.47Å; D271-D273 WeakPolarHBondContact OD1-CB 3.15Å; D271-D273 PolarHBondContact OD1-N 2.82Å; D271-N274 HydrophobicContact CB-CB 3.84Å; D271-N274 PolarHBondContact O-N 3.46Å; D271-N274 PolarHBondContact OD1-N 3.49Å; D271-H277 WeakPolarHBondContact CB-ND1 3.49Å; D271-H277 PolarHBondContact N-ND1 2.85Å; D271-H277 VanDerWaalsContact N-ND1 3.11Å; D271-H277 WeakPolarHBondContact O-CB 3.27Å; D271-H277 PolarHBondContact O-ND1 2.96Å
272	G	82.5	Confident	77	Confident	14 Å²	14	80 Å²	80	14%	0.144	41%	0.407	C	S	.	.	S	Bend	trans	-70.4	-20.3	178.5	0	0	0	0	0	113.1	I270 I278 K307	I270-G272 PolarHBondContact O-N 3Å; G272-I278 WeakPolarHBondContact O-CD1 3Å; G272-I278 VanDerWaalsContact O-CG1 3.29Å; G272-I278 WeakPolarHBondContact O-CG1 3.45Å; G272-K307 VanDerWaalsContact C-CE 3.41Å; G272-K307 WeakPolarHBondContact O-CE 3.29Å
273	D	80.7	Confident	79.4	Confident	86 Å²	86	75.2 Å²	75.2	46%	0.46	39%	0.388	S	S	.	.	S	Bend	trans	-88.5	-15.5	-179.9	-64.6	-58.4	0	0	0	112.8	D271 P275 K307	D271-D273 PolarHBondContact O-N 3.26Å; D271-D273 WeakPolarHBondContact OD1-CA 3.47Å; D271-D273 WeakPolarHBondContact OD1-CB 3.15Å; D271-D273 PolarHBondContact OD1-N 2.82Å; D273-P275 VanDerWaalsContact O-CD 3.26Å; D273-P275 WeakPolarHBondContact O-CD 3.47Å; D273-K307 WeakPolarHBondContact OD1-CE 3.38Å; D273-K307 IonicContact OD1-NZ 2.75Å; D273-K307 PolarHBondContact OD1-NZ 3.46Å
274	N	87.1	Confident	82	Confident	48 Å²	48	73.7 Å²	73.7	26%	0.257	37%	0.373	S	S	.	.			trans	-77.2	114.9	176.2	-171.2	-39.9	0	0	0	111.6	D271 A276 H277 I278	D271-N274 HydrophobicContact CB-CB 3.84Å; D271-N274 PolarHBondContact O-N 3.46Å; D271-N274 PolarHBondContact OD1-N 3.49Å; N274-A276 PolarHBondContact O-N 3.28Å; N274-A276 VanDerWaalsContact OD1-CB 3.3Å; N274-A276 WeakPolarHBondContact OD1-CB 3.39Å; N274-A276 PolarHBondContact OD1-N 2.94Å; N274-H277 HydrophobicContact CB-CB 4.03Å; N274-H277 WeakPolarHBondContact O-CB 3.32Å; N274-H277 PolarHBondContact O-N 2.85Å; N274-H277 VanDerWaalsContact O-N 3.13Å; N274-H277 PolarHBondContact OD1-N 3.4Å; N274-I278 PolarHBondContact O-N 2.87Å; N274-I278 VanDerWaalsContact O-N 3.13Å
275	P	90.8	Very high	84.4	Confident	88 Å²	88	63.1 Å²	63.1	57%	0.571	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-32.9	-179.6	-24.3	35.4	0	0	0	113.6	D273 I278 N279	D273-P275 VanDerWaalsContact O-CD 3.26Å; D273-P275 WeakPolarHBondContact O-CD 3.47Å; P275-I278 PolarHBondContact O-N 3.16Å; P275-N279 VanDerWaalsContact O-CB 3.26Å; P275-N279 WeakPolarHBondContact O-CB 3.23Å; P275-N279 PolarHBondContact O-N 2.81Å
276	A	92.7	Very high	86.6	Confident	45 Å²	45	62 Å²	62	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-68.5	-39.2	178.8	0	0	0	0	0	111.7	F255 N274 W280	F255-A276 HydrophobicContact CE1-CB 4.04Å; F255-A276 HydrophobicContact CZ-CB 4.13Å; F255-A276 WeakPolarHBondContact CZ-O 3.3Å; N274-A276 PolarHBondContact O-N 3.28Å; N274-A276 VanDerWaalsContact OD1-CB 3.3Å; N274-A276 WeakPolarHBondContact OD1-CB 3.39Å; N274-A276 PolarHBondContact OD1-N 2.94Å; A276-W280 WeakPolarHBondContact O-CB 3.47Å; A276-W280 PolarHBondContact O-N 3.49Å
277	H	92.9	Very high	88.7	Confident	3 Å²	3	58 Å²	58	1%	0.014	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-47.2	175.6	-71.8	-162.2	0	0	0	111.2	W249 F255 K268 D271 N274 N279 W280 I281	W249-H277 HydrophobicContact CH2-CB 3.89Å; W249-H277 AromaticContact CH2-CD2 3.69Å; W249-H277 AromaticContact CH2-CE1 3.82Å; W249-H277 AromaticContact CH2-CG 3.45Å; W249-H277 VanDerWaalsContact CH2-CG 3.45Å; W249-H277 AromaticContact CH2-ND1 3.56Å; W249-H277 AromaticContact CH2-NE2 3.91Å; W249-H277 AromaticContact CZ2-CE1 3.97Å; W249-H277 AromaticContact CZ2-ND1 3.98Å; W249-H277 HydrophobicContact CZ3-CB 4.13Å; F255-H277 AromaticContact CD2-CD2 3.7Å; F255-H277 AromaticContact CD2-NE2 3.97Å; F255-H277 AromaticContact CE2-CD2 3.77Å; K268-H277 PolarHBondContact NZ-NE2 3.34Å; D271-H277 WeakPolarHBondContact CB-ND1 3.49Å; D271-H277 PolarHBondContact N-ND1 2.85Å; D271-H277 VanDerWaalsContact N-ND1 3.11Å; D271-H277 WeakPolarHBondContact O-CB 3.27Å; D271-H277 PolarHBondContact O-ND1 2.96Å; N274-H277 HydrophobicContact CB-CB 4.03Å; N274-H277 WeakPolarHBondContact O-CB 3.32Å; N274-H277 PolarHBondContact O-N 2.85Å; N274-H277 VanDerWaalsContact O-N 3.13Å; N274-H277 PolarHBondContact OD1-N 3.4Å; H277-N279 PolarHBondContact O-N 2.8Å; H277-W280 PolarHBondContact O-N 2.99Å; H277-I281 WeakPolarHBondContact O-CG1 3.34Å; H277-I281 PolarHBondContact O-N 3.18Å
278	I	93	Very high	90.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-43.9	177.4	-63.1	-55.6	0	0	0	111.1	G272 N274 P275 W280 I281 Y282 Y299 T302 Q303 V306	G272-I278 WeakPolarHBondContact O-CD1 3Å; G272-I278 VanDerWaalsContact O-CG1 3.29Å; G272-I278 WeakPolarHBondContact O-CG1 3.45Å; N274-I278 PolarHBondContact O-N 2.87Å; N274-I278 VanDerWaalsContact O-N 3.13Å; P275-I278 PolarHBondContact O-N 3.16Å; I278-W280 VanDerWaalsContact C-N 3.33Å; I278-W280 PolarHBondContact O-N 3.17Å; I278-I281 PolarHBondContact O-N 3.3Å; I278-Y282 WeakPolarHBondContact O-CB 3.42Å; I278-Y282 PolarHBondContact O-N 3.42Å; I278-Y299 HydrophobicContact CB-CE2 4.28Å; I278-Y299 HydrophobicContact CG2-CD2 4.16Å; I278-Y299 HydrophobicContact CG2-CE1 4.21Å; I278-Y299 HydrophobicContact CG2-CE2 3.51Å; I278-T302 HydrophobicContact CG2-CG2 4.31Å; I278-Q303 HydrophobicContact CG2-CG 3.55Å; I278-V306 HydrophobicContact CD1-CB 3.81Å; I278-V306 HydrophobicContact CD1-CG1 3.57Å; I278-V306 HydrophobicContact CD1-CG2 4.17Å
279	N	95.6	Very high	91.5	Very high	62 Å²	62	47.3 Å²	47.3	33%	0.332	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-42.5	178.7	-170.9	68.2	0	0	0	111.7	P275 H277 I281 Y282 E283 Y299	P275-N279 VanDerWaalsContact O-CB 3.26Å; P275-N279 WeakPolarHBondContact O-CB 3.23Å; P275-N279 PolarHBondContact O-N 2.81Å; H277-N279 PolarHBondContact O-N 2.8Å; N279-I281 PolarHBondContact O-N 3.14Å; N279-Y282 WeakPolarHBondContact O-CB 3.46Å; N279-Y282 PolarHBondContact O-N 3.04Å; N279-E283 PolarHBondContact ND2-OE1 2.94Å; N279-E283 WeakPolarHBondContact O-CG 3.39Å; N279-E283 PolarHBondContact O-N 3.21Å; N279-Y299 HydrophobicContact CB-CE2 4.34Å
280	W	95.9	Very high	92.4	Very high	35 Å²	35	48.7 Å²	48.7	13%	0.133	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-44.9	175.7	-173.9	91.8	0	0	0	112.2	W249 E252 P254 F255 A276 H277 I278 Y282 E283 K284	W249-W280 HydrophobicContact CB-CH2 4.49Å; W249-W280 HydrophobicContact CB-CZ3 4.07Å; W249-W280 HydrophobicContact CD2-CZ3 4.41Å; W249-W280 HydrophobicContact CE3-CD2 4.34Å; W249-W280 AromaticContact CE3-CE3 3.5Å; W249-W280 HydrophobicContact CE3-CE3 3.5Å; W249-W280 AromaticContact CE3-CZ3 3.66Å; W249-W280 HydrophobicContact CE3-CZ3 3.66Å; W249-W280 HydrophobicContact CZ3-CD2 4.39Å; W249-W280 AromaticContact CZ3-CE3 3.88Å; W249-W280 HydrophobicContact CZ3-CE3 3.88Å; W249-W280 HydrophobicContact CZ3-CZ3 4.47Å; E252-W280 HydrophobicContact CB-CH2 4.39Å; E252-W280 HydrophobicContact CB-CZ2 4.04Å; P254-W280 HydrophobicContact CB-CD2 3.81Å; P254-W280 HydrophobicContact CB-CG 4.09Å; P254-W280 HydrophobicContact CB-CH2 4.46Å; P254-W280 HydrophobicContact CB-CZ2 3.76Å; P254-W280 HydrophobicContact CG-CD2 3.7Å; P254-W280 HydrophobicContact CG-CE3 3.89Å; P254-W280 HydrophobicContact CG-CG 4.38Å; P254-W280 HydrophobicContact CG-CH2 3.79Å; P254-W280 HydrophobicContact CG-CZ2 3.59Å; P254-W280 HydrophobicContact CG-CZ3 3.94Å; F255-W280 HydrophobicContact CE2-CB 3.82Å; F255-W280 HydrophobicContact CE2-CG 4.01Å; F255-W280 HydrophobicContact CZ-CB 3.89Å; F255-W280 HydrophobicContact CZ-CG 4.3Å; A276-W280 WeakPolarHBondContact O-CB 3.47Å; A276-W280 PolarHBondContact O-N 3.49Å; H277-W280 PolarHBondContact O-N 2.99Å; I278-W280 VanDerWaalsContact C-N 3.33Å; I278-W280 PolarHBondContact O-N 3.17Å; W280-Y282 VanDerWaalsContact C-N 3.33Å; W280-Y282 PolarHBondContact O-N 2.94Å; W280-E283 PolarHBondContact O-N 3.24Å; W280-K284 HydrophobicContact CD2-CG 4.06Å; W280-K284 HydrophobicContact CE3-CG 4.07Å; W280-K284 HydrophobicContact CH2-CD 4.39Å; W280-K284 HydrophobicContact CH2-CG 3.82Å; W280-K284 HydrophobicContact CZ2-CD 4.17Å; W280-K284 HydrophobicContact CZ2-CG 3.79Å; W280-K284 HydrophobicContact CZ3-CG 3.95Å; W280-K284 WeakPolarHBondContact O-CG 3.37Å; W280-K284 PolarHBondContact O-N 3.45Å
281	I	95.3	Very high	92.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-42.1	177	-65.3	169.9	0	0	0	110.3	I241 A244 W249 I270 H277 I278 N279 K284 A285 T302 V306	I241-I281 HydrophobicContact CG2-CG2 4.12Å; A244-I281 HydrophobicContact CB-CG2 3.96Å; W249-I281 HydrophobicContact CE3-CD1 4.31Å; W249-I281 HydrophobicContact CE3-CG1 4.05Å; W249-I281 HydrophobicContact CZ3-CD1 4.46Å; W249-I281 HydrophobicContact CZ3-CG1 4.28Å; I270-I281 HydrophobicContact CD1-CD1 4.2Å; I270-I281 HydrophobicContact CG2-CD1 3.71Å; H277-I281 WeakPolarHBondContact O-CG1 3.34Å; H277-I281 PolarHBondContact O-N 3.18Å; I278-I281 PolarHBondContact O-N 3.3Å; N279-I281 PolarHBondContact O-N 3.14Å; I281-K284 PolarHBondContact O-N 3.09Å; I281-A285 WeakPolarHBondContact O-CB 3.3Å; I281-A285 PolarHBondContact O-N 2.92Å; I281-T302 HydrophobicContact CB-CG2 4.15Å; I281-T302 HydrophobicContact CG2-CG2 3.74Å; I281-V306 HydrophobicContact CD1-CG1 4.25Å; I281-V306 HydrophobicContact CD1-CG2 3.8Å; I281-V306 HydrophobicContact CG2-CG2 3.94Å
282	Y	96.8	Very high	93.4	Very high	61 Å²	61	50.6 Å²	50.6	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-48.3	178.1	166	-115	0	0	0	111.6	I278 N279 W280 K284 A285 L286 V297 Y299	I278-Y282 WeakPolarHBondContact O-CB 3.42Å; I278-Y282 PolarHBondContact O-N 3.42Å; N279-Y282 WeakPolarHBondContact O-CB 3.46Å; N279-Y282 PolarHBondContact O-N 3.04Å; W280-Y282 VanDerWaalsContact C-N 3.33Å; W280-Y282 PolarHBondContact O-N 2.94Å; Y282-K284 PolarHBondContact O-N 3.45Å; Y282-A285 PolarHBondContact O-N 3.43Å; Y282-L286 WeakPolarHBondContact O-CB 3.35Å; Y282-L286 PolarHBondContact O-N 3.19Å; Y282-V297 HydrophobicContact CD2-CG1 4.01Å; Y282-V297 HydrophobicContact CE2-CG1 4.09Å; Y282-Y299 HydrophobicContact CD1-CD2 4.16Å; Y282-Y299 HydrophobicContact CG-CD2 4.18Å
283	E	96.9	Very high	93.9	Very high	92 Å²	92	53.1 Å²	53.1	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-44	178.1	-73.6	174.2	-175.4	0	0	111.8	N279 W280 L286 Q287	N279-E283 PolarHBondContact ND2-OE1 2.94Å; N279-E283 WeakPolarHBondContact O-CG 3.39Å; N279-E283 PolarHBondContact O-N 3.21Å; W280-E283 PolarHBondContact O-N 3.24Å; E283-L286 PolarHBondContact O-N 3.41Å; E283-Q287 WeakPolarHBondContact O-CG 3.37Å; E283-Q287 PolarHBondContact O-N 3.33Å
284	K	96.1	Very high	94.6	Very high	40 Å²	40	50 Å²	50	17%	0.174	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-41	177.1	-72.2	-70	176.1	173.6	0	112.7	A244 E252 W280 I281 Y282 L286 Q287 R288	A244-K284 HydrophobicContact CB-CB 3.69Å; E252-K284 WeakPolarHBondContact OE1-CE 3.48Å; E252-K284 IonicContact OE1-NZ 3.74Å; E252-K284 PolarHBondContact OE1-NZ 3.29Å; E252-K284 WeakPolarHBondContact OE2-CE 3.35Å; E252-K284 IonicContact OE2-NZ 3.55Å; E252-K284 PolarHBondContact OE2-NZ 2.84Å; W280-K284 HydrophobicContact CD2-CG 4.06Å; W280-K284 HydrophobicContact CE3-CG 4.07Å; W280-K284 HydrophobicContact CH2-CD 4.39Å; W280-K284 HydrophobicContact CH2-CG 3.82Å; W280-K284 HydrophobicContact CZ2-CD 4.17Å; W280-K284 HydrophobicContact CZ2-CG 3.79Å; W280-K284 HydrophobicContact CZ3-CG 3.95Å; W280-K284 WeakPolarHBondContact O-CG 3.37Å; W280-K284 PolarHBondContact O-N 3.45Å; I281-K284 PolarHBondContact O-N 3.09Å; Y282-K284 PolarHBondContact O-N 3.45Å; K284-L286 VanDerWaalsContact C-N 3.32Å; K284-Q287 PolarHBondContact O-N 3.3Å; K284-R288 WeakPolarHBondContact O-CB 3.44Å; K284-R288 PolarHBondContact O-N 3.38Å
285	A	96.1	Very high	94.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-40.5	175.4	0	0	0	0	0	111.2	I241 A244 I281 Y282 R288 A289 V297	I241-A285 HydrophobicContact CB-CB 4.24Å; I241-A285 HydrophobicContact CG1-CB 3.63Å; A244-A285 HydrophobicContact CB-CB 4.22Å; I281-A285 WeakPolarHBondContact O-CB 3.3Å; I281-A285 PolarHBondContact O-N 2.92Å; Y282-A285 PolarHBondContact O-N 3.43Å; A285-R288 PolarHBondContact O-N 2.98Å; A285-A289 VanDerWaalsContact O-CB 3.26Å; A285-A289 WeakPolarHBondContact O-CB 3.28Å; A285-A289 PolarHBondContact O-N 3.47Å; A285-V297 HydrophobicContact CB-CG1 3.92Å
286	L	96.9	Very high	95	Very high	61 Å²	61	52.6 Å²	52.6	32%	0.319	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-45.3	177.2	-174	64.3	0	0	0	111.7	Y282 E283 K284 R288 A289 N290 V297	Y282-L286 WeakPolarHBondContact O-CB 3.35Å; Y282-L286 PolarHBondContact O-N 3.19Å; E283-L286 PolarHBondContact O-N 3.41Å; K284-L286 VanDerWaalsContact C-N 3.32Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.1Å; L286-A289 PolarHBondContact O-N 3.21Å; L286-N290 WeakPolarHBondContact O-CB 3.49Å; L286-N290 PolarHBondContact O-N 3.23Å; L286-N290 PolarHBondContact O-ND2 2.84Å; L286-V297 HydrophobicContact CB-CG1 4.5Å; L286-V297 HydrophobicContact CD1-CB 4.44Å
287	Q	95.9	Very high	95	Very high	114 Å²	114	51.1 Å²	51.1	53%	0.533	28%	0.284	S	S	.	.	H	α-helix	trans	-57.6	-45.2	173.8	-72.6	171.3	11.7	0	0	111.5	E283 K284 S291	E283-Q287 WeakPolarHBondContact O-CG 3.37Å; E283-Q287 PolarHBondContact O-N 3.33Å; K284-Q287 PolarHBondContact O-N 3.3Å; Q287-S291 PolarHBondContact O-N 2.81Å; Q287-S291 VanDerWaalsContact O-N 3.16Å
288	R	94.8	Very high	95.1	Very high	42 Å²	42	54.1 Å²	54.1	16%	0.158	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-46.1	177.1	-174.2	68.7	172.5	171.8	2.5	111.3	I230 S231 C240 Y243 K284 A285 L286 N290 S291 F292	I230-R288 PolarHBondContact O-NH2 2.86Å; S231-R288 PolarHBondContact O-NH2 3.32Å; C240-R288 HydrophobicContact CB-CB 4.29Å; C240-R288 HydrophobicContact CB-CG 4.2Å; Y243-R288 HydrophobicContact CD1-CG 4.09Å; Y243-R288 HydrophobicContact CG-CG 4.49Å; K284-R288 WeakPolarHBondContact O-CB 3.44Å; K284-R288 PolarHBondContact O-N 3.38Å; A285-R288 PolarHBondContact O-N 2.98Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.1Å; R288-N290 VanDerWaalsContact C-N 3.34Å; R288-N290 PolarHBondContact O-N 3.24Å; R288-S291 PolarHBondContact O-N 3.44Å; R288-S291 VanDerWaalsContact O-N 3.15Å; R288-S291 PolarHBondContact O-OG 3.03Å; R288-F292 WeakPolarHBondContact O-CD2 3.21Å; R288-F292 PolarHBondContact O-N 3.1Å
289	A	96.3	Very high	95.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-43.2	-179.9	0	0	0	0	0	111.7	C240 A285 L286 S291 F292 G293 I294 V297	C240-A289 HydrophobicContact CB-CB 4.15Å; A285-A289 VanDerWaalsContact O-CB 3.26Å; A285-A289 WeakPolarHBondContact O-CB 3.28Å; A285-A289 PolarHBondContact O-N 3.47Å; L286-A289 PolarHBondContact O-N 3.21Å; A289-S291 VanDerWaalsContact C-N 3.3Å; A289-S291 PolarHBondContact O-N 3.34Å; A289-F292 CarbonylContact O-C 3.54Å; A289-F292 PolarHBondContact O-N 3.11Å; A289-F292 VanDerWaalsContact O-N 3.09Å; A289-G293 PolarHBondContact O-N 3.1Å; A289-I294 HydrophobicContact CB-CB 4.2Å; A289-I294 VanDerWaalsContact CB-O 3.32Å; A289-I294 WeakPolarHBondContact CB-O 3.3Å; A289-I294 PolarHBondContact O-N 3.33Å; A289-V297 HydrophobicContact CB-CB 4.5Å; A289-V297 HydrophobicContact CB-CG2 3.54Å
290	N	95.6	Very high	94.8	Very high	109 Å²	109	64.8 Å²	64.8	58%	0.583	34%	0.339	S	S	*	.	H	α-helix	trans	-58.3	-39.7	173.8	-69.2	-16.9	0	0	0	112.4	L286 R288 F292 G293	L286-N290 WeakPolarHBondContact O-CB 3.49Å; L286-N290 PolarHBondContact O-N 3.23Å; L286-N290 PolarHBondContact O-ND2 2.84Å; R288-N290 VanDerWaalsContact C-N 3.34Å; R288-N290 PolarHBondContact O-N 3.24Å; N290-F292 PolarHBondContact O-N 2.87Å; N290-G293 PolarHBondContact O-N 2.93Å
291	S	94.6	Very high	94.6	Very high	80 Å²	80	64.8 Å²	64.8	56%	0.559	34%	0.342	S	S	*	.	H	α-helix	trans	-67.8	-19.3	179	68.8	0	0	0	0	114.5	Q287 R288 A289	Q287-S291 PolarHBondContact O-N 2.81Å; Q287-S291 VanDerWaalsContact O-N 3.16Å; R288-S291 PolarHBondContact O-N 3.44Å; R288-S291 VanDerWaalsContact O-N 3.15Å; R288-S291 PolarHBondContact O-OG 3.03Å; A289-S291 VanDerWaalsContact C-N 3.3Å; A289-S291 PolarHBondContact O-N 3.34Å
292	F	94.3	Very high	94.4	Very high	81 Å²	81	64.8 Å²	64.8	36%	0.355	34%	0.342	S	S	.	.	H	α-helix	trans	-111.1	4.2	177.4	-73.5	-94.3	0	0	0	113.2	P234 R288 A289 N290 I294	P234-F292 VanDerWaalsContact CD-CE1 3.42Å; P234-F292 HydrophobicContact CG-CB 4.07Å; P234-F292 HydrophobicContact CG-CD1 3.47Å; P234-F292 VanDerWaalsContact CG-CD1 3.47Å; P234-F292 HydrophobicContact CG-CD2 3.55Å; P234-F292 HydrophobicContact CG-CE1 3.69Å; P234-F292 HydrophobicContact CG-CE2 3.81Å; P234-F292 HydrophobicContact CG-CG 3.39Å; P234-F292 HydrophobicContact CG-CZ 3.86Å; R288-F292 WeakPolarHBondContact O-CD2 3.21Å; R288-F292 PolarHBondContact O-N 3.1Å; A289-F292 CarbonylContact O-C 3.54Å; A289-F292 PolarHBondContact O-N 3.11Å; A289-F292 VanDerWaalsContact O-N 3.09Å; N290-F292 PolarHBondContact O-N 2.87Å; F292-I294 VanDerWaalsContact C-N 3.33Å; F292-I294 HydrophobicContact CB-CD1 3.76Å; F292-I294 HydrophobicContact CB-CG1 3.98Å; F292-I294 PolarHBondContact O-N 2.47Å
293	G	94	Very high	93.9	Very high	66 Å²	66	64.6 Å²	64.6	68%	0.68	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	36.8	-175.9	0	0	0	0	0	113.5	A289 N290	A289-G293 PolarHBondContact O-N 3.1Å; N290-G293 PolarHBondContact O-N 2.93Å
294	I	94.6	Very high	93.3	Very high	20 Å²	20	60.7 Å²	60.7	10%	0.103	33%	0.327	C	S	.	.			trans	-101.4	124.8	179.9	-62.2	169.3	0	0	0	109.1	P234 P237 A289 F292	P234-I294 HydrophobicContact CB-CD1 3.84Å; P234-I294 HydrophobicContact CG-CD1 4.11Å; P237-I294 HydrophobicContact CB-CG2 4.48Å; A289-I294 HydrophobicContact CB-CB 4.2Å; A289-I294 VanDerWaalsContact CB-O 3.32Å; A289-I294 WeakPolarHBondContact CB-O 3.3Å; A289-I294 PolarHBondContact O-N 3.33Å; F292-I294 VanDerWaalsContact C-N 3.33Å; F292-I294 HydrophobicContact CB-CD1 3.76Å; F292-I294 HydrophobicContact CB-CG1 3.98Å; F292-I294 PolarHBondContact O-N 2.47Å
295	D	93	Very high	92.7	Very high	143 Å²	143	59.3 Å²	59.3	77%	0.765	32%	0.322	S	S	*	.			trans	-94	169.2	174.6	-65.4	-46.4	0	0	0	112.2
296	G	92.9	Very high	92.2	Very high	48 Å²	48	59.9 Å²	59.9	50%	0.495	33%	0.326	S	S	.	.			trans	94.3	2.5	169.9	0	0	0	0	0	116	T298 L301	G296-T298 PolarHBondContact O-N 2.78Å; G296-L301 WeakPolarHBondContact O-CD2 3.27Å
297	V	94	Very high	91.2	Very high	14 Å²	14	60.5 Å²	60.5	9%	0.085	33%	0.326	C	S	.	.			trans	-68.5	114.4	169.4	179.7	0	0	0	0	109	P237 C240 I241 Y282 A285 L286 A289	P237-V297 HydrophobicContact CB-CB 4.39Å; P237-V297 HydrophobicContact CB-CG2 3.54Å; C240-V297 HydrophobicContact CB-CG2 4.39Å; I241-V297 HydrophobicContact CG1-CG1 4.36Å; Y282-V297 HydrophobicContact CD2-CG1 4.01Å; Y282-V297 HydrophobicContact CE2-CG1 4.09Å; A285-V297 HydrophobicContact CB-CG1 3.92Å; L286-V297 HydrophobicContact CB-CG1 4.5Å; L286-V297 HydrophobicContact CD1-CB 4.44Å; A289-V297 HydrophobicContact CB-CB 4.5Å; A289-V297 HydrophobicContact CB-CG2 3.54Å
298	T	94.3	Very high	90	Very high	66 Å²	66	59.9 Å²	59.9	41%	0.405	32%	0.318	S	S	.	.			trans	-124.4	158.3	175.3	63.6	0	0	0	0	110.1	G296 R300 L301 T302	G296-T298 PolarHBondContact O-N 2.78Å; T298-R300 PolarHBondContact O-N 3.29Å; T298-L301 PolarHBondContact O-N 3.02Å; T298-L301 VanDerWaalsContact OG1-CB 3.31Å; T298-L301 WeakPolarHBondContact OG1-CB 3.03Å; T298-L301 PolarHBondContact OG1-N 3.03Å; T298-L301 VanDerWaalsContact OG1-N 3.09Å; T298-T302 PolarHBondContact O-N 3.09Å; T298-T302 PolarHBondContact O-OG1 3.43Å
299	Y	93.2	Very high	88.6	Confident	75 Å²	75	61.8 Å²	61.8	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-57.5	-40.7	174.1	-173	-93.5	0	0	0	111.5	I278 N279 Y282 T302 Q303	I278-Y299 HydrophobicContact CB-CE2 4.28Å; I278-Y299 HydrophobicContact CG2-CD2 4.16Å; I278-Y299 HydrophobicContact CG2-CE1 4.21Å; I278-Y299 HydrophobicContact CG2-CE2 3.51Å; N279-Y299 HydrophobicContact CB-CE2 4.34Å; Y282-Y299 HydrophobicContact CD1-CD2 4.16Å; Y282-Y299 HydrophobicContact CG-CD2 4.18Å; Y299-T302 WeakPolarHBondContact O-CB 3.42Å; Y299-T302 PolarHBondContact O-N 3.08Å; Y299-Q303 HydrophobicContact CD1-CG 4.17Å; Y299-Q303 HydrophobicContact CE1-CG 3.87Å; Y299-Q303 WeakPolarHBondContact O-CG 3.46Å; Y299-Q303 PolarHBondContact O-N 3.36Å
300	R	89.9	Confident	87	Confident	213 Å²	213	64.8 Å²	64.8	80%	0.804	35%	0.346	S	S	*	.	H	α-helix	trans	-62.8	-44.6	177.2	-174.3	176.9	-177.5	169.6	0.9	112.5	T298 T302 Q303 G304	T298-R300 PolarHBondContact O-N 3.29Å; R300-T302 VanDerWaalsContact C-N 3.31Å; R300-Q303 PolarHBondContact O-N 3.34Å; R300-G304 PolarHBondContact O-N 3.03Å
301	L	90.3	Very high	85.7	Confident	35 Å²	35	63.4 Å²	63.4	18%	0.183	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-40	175.5	-177.3	63.8	0	0	0	110.8	P237 E238 I241 G296 T298 Q303 G304 V305	P237-L301 HydrophobicContact CB-CD2 3.68Å; P237-L301 HydrophobicContact CG-CD2 3.65Å; E238-L301 HydrophobicContact CG-CD1 4.31Å; I241-L301 HydrophobicContact CD1-CB 4.27Å; I241-L301 HydrophobicContact CD1-CD2 3.91Å; I241-L301 HydrophobicContact CD1-CG 3.71Å; G296-L301 WeakPolarHBondContact O-CD2 3.27Å; T298-L301 PolarHBondContact O-N 3.02Å; T298-L301 VanDerWaalsContact OG1-CB 3.31Å; T298-L301 WeakPolarHBondContact OG1-CB 3.03Å; T298-L301 PolarHBondContact OG1-N 3.03Å; T298-L301 VanDerWaalsContact OG1-N 3.09Å; L301-Q303 PolarHBondContact O-N 2.97Å; L301-G304 WeakPolarHBondContact O-CA 3.5Å; L301-G304 PolarHBondContact O-N 3.26Å; L301-G304 VanDerWaalsContact O-N 3.13Å; L301-V305 HydrophobicContact CD1-CG2 4.25Å; L301-V305 HydrophobicContact CG-CG2 4.36Å; L301-V305 WeakPolarHBondContact O-CG2 3.41Å; L301-V305 PolarHBondContact O-N 3.29Å
302	T	91.7	Very high	84.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.1	-47.8	176.2	-53.9	0	0	0	0	111.3	I241 I278 I281 T298 Y299 R300 G304 V305 V306	I241-T302 HydrophobicContact CG2-CG2 4.05Å; I278-T302 HydrophobicContact CG2-CG2 4.31Å; I281-T302 HydrophobicContact CB-CG2 4.15Å; I281-T302 HydrophobicContact CG2-CG2 3.74Å; T298-T302 PolarHBondContact O-N 3.09Å; T298-T302 PolarHBondContact O-OG1 3.43Å; Y299-T302 WeakPolarHBondContact O-CB 3.42Å; Y299-T302 PolarHBondContact O-N 3.08Å; R300-T302 VanDerWaalsContact C-N 3.31Å; T302-G304 VanDerWaalsContact C-N 3.33Å; T302-G304 PolarHBondContact O-N 3.39Å; T302-V305 PolarHBondContact O-N 2.72Å; T302-V306 HydrophobicContact CG2-CG2 4.18Å; T302-V306 WeakPolarHBondContact O-CB 3.39Å; T302-V306 VanDerWaalsContact O-CG2 3.23Å; T302-V306 WeakPolarHBondContact O-CG2 3.25Å; T302-V306 PolarHBondContact O-N 2.83Å
303	Q	87.1	Confident	83.8	Confident	57 Å²	57	59 Å²	59	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-45.5	173.1	-71.8	-177.4	-58	0	0	111.9	I278 Y299 R300 L301 V305 V306 K307 I309	I278-Q303 HydrophobicContact CG2-CG 3.55Å; Y299-Q303 HydrophobicContact CD1-CG 4.17Å; Y299-Q303 HydrophobicContact CE1-CG 3.87Å; Y299-Q303 WeakPolarHBondContact O-CG 3.46Å; Y299-Q303 PolarHBondContact O-N 3.36Å; R300-Q303 PolarHBondContact O-N 3.34Å; L301-Q303 PolarHBondContact O-N 2.97Å; Q303-V305 PolarHBondContact O-N 2.75Å; Q303-V306 PolarHBondContact O-N 3.45Å; Q303-K307 VanDerWaalsContact O-CB 3.28Å; Q303-K307 WeakPolarHBondContact O-CB 3.16Å; Q303-K307 PolarHBondContact O-N 2.83Å; Q303-I309 HydrophobicContact CB-CD1 4.44Å
304	G	84	Confident	83.5	Confident	10 Å²	10	57.8 Å²	57.8	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-56.7	-46.6	178.2	0	0	0	0	0	113.1	R300 L301 T302 R308 I309	R300-G304 PolarHBondContact O-N 3.03Å; L301-G304 WeakPolarHBondContact O-CA 3.5Å; L301-G304 PolarHBondContact O-N 3.26Å; L301-G304 VanDerWaalsContact O-N 3.13Å; T302-G304 VanDerWaalsContact C-N 3.33Å; T302-G304 PolarHBondContact O-N 3.39Å; G304-R308 CarbonylContact O-C 3.49Å; G304-R308 WeakPolarHBondContact O-CA 3.15Å; G304-R308 PolarHBondContact O-N 2.99Å; G304-I309 PolarHBondContact O-N 3.37Å
305	V	83.7	Confident	83.4	Confident	10 Å²	10	59.9 Å²	59.9	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-71.5	-46.8	179.7	174.4	0	0	0	0	111.5	E238 I241 E242 L301 T302 Q303 R308	E238-V305 HydrophobicContact CB-CG2 4.21Å; E238-V305 HydrophobicContact CG-CG2 3.89Å; I241-V305 HydrophobicContact CB-CB 4.41Å; I241-V305 HydrophobicContact CB-CG1 4.15Å; I241-V305 HydrophobicContact CD1-CG2 4.12Å; I241-V305 HydrophobicContact CG2-CB 3.76Å; I241-V305 HydrophobicContact CG2-CG1 3.6Å; I241-V305 HydrophobicContact CG2-CG2 4.43Å; E242-V305 HydrophobicContact CG-CG1 3.82Å; E242-V305 VanDerWaalsContact OE1-CG1 3.28Å; E242-V305 WeakPolarHBondContact OE1-CG1 3.47Å; L301-V305 HydrophobicContact CD1-CG2 4.25Å; L301-V305 HydrophobicContact CG-CG2 4.36Å; L301-V305 WeakPolarHBondContact O-CG2 3.41Å; L301-V305 PolarHBondContact O-N 3.29Å; T302-V305 PolarHBondContact O-N 2.72Å; Q303-V305 PolarHBondContact O-N 2.75Å; V305-R308 PolarHBondContact O-N 3.48Å
306	V	85.1	Confident	83.2	Confident	13 Å²	13	53.1 Å²	53.1	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-47.7	-177.2	174.9	0	0	0	0	111.6	I241 I270 I278 I281 T302 Q303 R308	I241-V306 HydrophobicContact CG2-CG2 4.3Å; I270-V306 HydrophobicContact CG2-CG1 3.91Å; I278-V306 HydrophobicContact CD1-CB 3.81Å; I278-V306 HydrophobicContact CD1-CG1 3.57Å; I278-V306 HydrophobicContact CD1-CG2 4.17Å; I281-V306 HydrophobicContact CD1-CG1 4.25Å; I281-V306 HydrophobicContact CD1-CG2 3.8Å; I281-V306 HydrophobicContact CG2-CG2 3.94Å; T302-V306 HydrophobicContact CG2-CG2 4.18Å; T302-V306 WeakPolarHBondContact O-CB 3.39Å; T302-V306 VanDerWaalsContact O-CG2 3.23Å; T302-V306 WeakPolarHBondContact O-CG2 3.25Å; T302-V306 PolarHBondContact O-N 2.83Å; Q303-V306 PolarHBondContact O-N 3.45Å; V306-R308 VanDerWaalsContact C-N 3.32Å
307	K	76.4	Confident	83.2	Confident	73 Å²	73	51 Å²	51	32%	0.317	26%	0.263	S	S	.	.	H	α-helix	trans	-82.4	-8.1	179.8	-66	-174.9	169.5	-159.1	0	113.6	G272 D273 Q303 I309	G272-K307 VanDerWaalsContact C-CE 3.41Å; G272-K307 WeakPolarHBondContact O-CE 3.29Å; D273-K307 WeakPolarHBondContact OD1-CE 3.38Å; D273-K307 IonicContact OD1-NZ 2.75Å; D273-K307 PolarHBondContact OD1-NZ 3.46Å; Q303-K307 VanDerWaalsContact O-CB 3.28Å; Q303-K307 WeakPolarHBondContact O-CB 3.16Å; Q303-K307 PolarHBondContact O-N 2.83Å; K307-I309 VanDerWaalsContact C-N 3.28Å; K307-I309 HydrophobicContact CB-CD1 4.25Å; K307-I309 HydrophobicContact CB-CG1 3.63Å; K307-I309 HydrophobicContact CD-CD1 4.18Å; K307-I309 HydrophobicContact CD-CG1 4.34Å; K307-I309 PolarHBondContact O-N 3.19Å
308	R	70.7	Confident	83.3	Confident	101 Å²	101	52 Å²	52	38%	0.381	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	45.7	-173.4	-57.4	177.6	177	-116.3	-14.1	111.8	R245 G304 V305 V306 I310	R245-R308 VanDerWaalsContact NH1-NH2 3.11Å; G304-R308 CarbonylContact O-C 3.49Å; G304-R308 WeakPolarHBondContact O-CA 3.15Å; G304-R308 PolarHBondContact O-N 2.99Å; V305-R308 PolarHBondContact O-N 3.48Å; V306-R308 VanDerWaalsContact C-N 3.32Å; R308-I310 PolarHBondContact O-N 3.09Å; R308-I310 VanDerWaalsContact O-N 3.1Å
309	I	64.8	Low	83.2	Confident	83 Å²	83	51 Å²	51	43%	0.426	27%	0.267	S	S	.	.			trans	-62.9	115.2	-173.1	-55.1	-178.9	0	0	0	109.6	Q303 G304 K307	Q303-I309 HydrophobicContact CB-CD1 4.44Å; G304-I309 PolarHBondContact O-N 3.37Å; K307-I309 VanDerWaalsContact C-N 3.28Å; K307-I309 HydrophobicContact CB-CD1 4.25Å; K307-I309 HydrophobicContact CB-CG1 3.63Å; K307-I309 HydrophobicContact CD-CD1 4.18Å; K307-I309 HydrophobicContact CD-CG1 4.34Å; K307-I309 PolarHBondContact O-N 3.19Å
310	I	63.3	Low	83.3	Confident	63 Å²	63	47.6 Å²	47.6	32%	0.323	25%	0.253	S	S	.	.			trans	-82.9	122.1	166.4	-56.7	-178.1	0	0	0	107.1	E188 P221 R308 A312	E188-I310 HydrophobicContact CB-CG2 4Å; E188-I310 HydrophobicContact CG-CG2 3.95Å; P221-I310 HydrophobicContact CB-CG1 4.27Å; P221-I310 HydrophobicContact CG-CD1 4.22Å; P221-I310 HydrophobicContact CG-CG1 4.06Å; R308-I310 PolarHBondContact O-N 3.09Å; R308-I310 VanDerWaalsContact O-N 3.1Å; I310-A312 PolarHBondContact O-N 3.38Å
311	P	67	Low	83.5	Confident	81 Å²	81	37.4 Å²	37.4	53%	0.526	22%	0.215	S	C	.	.			trans	-54.2	133	172.7	-23.5	33.3	0	0	0	109.5	G189	G189-P311 WeakPolarHBondContact CA-O 3.4Å; G189-P311 PolarHBondContact N-O 2.99Å
312	A	69.4	Low	83.7	Confident	25 Å²	25	37.2 Å²	37.2	21%	0.207	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-139.7	125.1	178.7	0	0	0	0	0	109.2	R77 I310	R77-A312 VanDerWaalsContact CD-CB 3.43Å; I310-A312 PolarHBondContact O-N 3.38Å
313	V	81	Confident	83.7	Confident	43 Å²	43	38.6 Å²	38.6	26%	0.261	23%	0.23	S	C	.	.			trans	-115	145.4	-180	-65.5	0	0	0	0	110.2	G189 F190 S315 T316 N317	G189-V313 WeakPolarHBondContact O-CG2 3.42Å; F190-V313 HydrophobicContact CD1-CG2 4.17Å; F190-V313 HydrophobicContact CE1-CG1 4.31Å; F190-V313 HydrophobicContact CE1-CG2 4.21Å; V313-S315 VanDerWaalsContact C-N 3.26Å; V313-S315 WeakPolarHBondContact CG2-OG 3.42Å; V313-S315 PolarHBondContact O-N 3.02Å; V313-T316 VanDerWaalsContact CG2-OG1 3.24Å; V313-T316 WeakPolarHBondContact CG2-OG1 3.25Å; V313-T316 PolarHBondContact O-N 2.86Å; V313-N317 PolarHBondContact O-N 3.46Å; V313-N317 PolarHBondContact O-ND2 3.46Å
314	A	87.9	Confident	83.8	Confident	41 Å²	41	35.9 Å²	35.9	34%	0.339	22%	0.217	S	C	.	.	H	α-helix	trans	-59.7	-37.2	-178.5	0	0	0	0	0	112.3	R77 T316 N317 A318	R77-A314 HydrophobicContact CB-CB 4.41Å; A314-T316 PolarHBondContact O-N 3.17Å; A314-N317 PolarHBondContact O-N 3.29Å; A314-A318 WeakPolarHBondContact O-CB 3.45Å; A314-A318 PolarHBondContact O-N 2.93Å
315	S	91.2	Very high	84	Confident	63 Å²	63	35.6 Å²	35.6	44%	0.441	21%	0.213	S	C	.	.	H	α-helix	trans	-57.6	-49.2	-180	51.3	0	0	0	0	113	V313 A318 V319	V313-S315 VanDerWaalsContact C-N 3.26Å; V313-S315 WeakPolarHBondContact CG2-OG 3.42Å; V313-S315 PolarHBondContact O-N 3.02Å; S315-A318 PolarHBondContact O-N 2.66Å; S315-V319 WeakPolarHBondContact O-CG2 3.28Å; S315-V319 PolarHBondContact O-N 3.01Å
316	T	89.8	Confident	83.8	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-37.3	179.7	-52.8	0	0	0	0	111.7	V187 G189 K191 V313 A314 V319 V320 F369	V187-T316 HydrophobicContact CB-CG2 4.44Å; V187-T316 HydrophobicContact CG1-CG2 4.1Å; G189-T316 PolarHBondContact O-OG1 3.39Å; K191-T316 WeakPolarHBondContact O-CG2 3.48Å; V313-T316 VanDerWaalsContact CG2-OG1 3.24Å; V313-T316 WeakPolarHBondContact CG2-OG1 3.25Å; V313-T316 PolarHBondContact O-N 2.86Å; A314-T316 PolarHBondContact O-N 3.17Å; T316-V319 PolarHBondContact O-N 2.95Å; T316-V320 WeakPolarHBondContact O-CG2 3.45Å; T316-V320 PolarHBondContact O-N 2.69Å; T316-V320 VanDerWaalsContact O-N 3.13Å; T316-F369 HydrophobicContact CG2-CD1 4.09Å; T316-F369 HydrophobicContact CG2-CE1 4.01Å
317	N	92.8	Very high	83.1	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-45.4	172.3	-73.4	-82.3	0	0	0	111.3	G45 L46 E49 V187 V313 A314 V320 A321	G45-N317 VanDerWaalsContact C-OD1 3.26Å; L46-N317 WeakPolarHBondContact CD1-O 2.85Å; L46-N317 PolarHBondContact N-OD1 2.81Å; E49-N317 HydrophobicContact CG-CB 4.24Å; V187-N317 WeakPolarHBondContact CG2-OD1 3.45Å; V313-N317 PolarHBondContact O-N 3.46Å; V313-N317 PolarHBondContact O-ND2 3.46Å; A314-N317 PolarHBondContact O-N 3.29Å; N317-V320 PolarHBondContact O-N 3.41Å; N317-A321 VanDerWaalsContact O-CB 3.24Å; N317-A321 WeakPolarHBondContact O-CB 3.39Å; N317-A321 PolarHBondContact O-N 3.09Å
318	A	94.8	Very high	82.4	Confident	34 Å²	34	36.4 Å²	36.4	28%	0.281	22%	0.215	S	C	.	.	H	α-helix	trans	-64.4	-41.4	-179.9	0	0	0	0	0	112.7	E49 A314 S315 G322	E49-A318 HydrophobicContact CG-CB 4.35Å; A314-A318 WeakPolarHBondContact O-CB 3.45Å; A314-A318 PolarHBondContact O-N 2.93Å; S315-A318 PolarHBondContact O-N 2.66Å; A318-G322 PolarHBondContact O-N 3.23Å
319	V	94.2	Very high	81.7	Confident	47 Å²	47	31.9 Å²	31.9	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-45.7	178.2	173.4	0	0	0	0	111.3	S315 T316 T323 F369 M377	S315-V319 WeakPolarHBondContact O-CG2 3.28Å; S315-V319 PolarHBondContact O-N 3.01Å; T316-V319 PolarHBondContact O-N 2.95Å; V319-T323 WeakPolarHBondContact O-CB 3.28Å; V319-T323 PolarHBondContact O-N 2.81Å; V319-T323 PolarHBondContact O-OG1 3.13Å; V319-F369 HydrophobicContact CB-CE1 4.41Å; V319-F369 HydrophobicContact CB-CE2 4.43Å; V319-F369 HydrophobicContact CB-CZ 4.26Å; V319-F369 HydrophobicContact CG1-CD1 4.3Å; V319-F369 HydrophobicContact CG1-CD2 3.72Å; V319-F369 HydrophobicContact CG1-CE1 4.32Å; V319-F369 HydrophobicContact CG1-CE2 3.7Å; V319-F369 HydrophobicContact CG1-CG 4.01Å; V319-F369 HydrophobicContact CG1-CZ 4.02Å; V319-F369 HydrophobicContact CG2-CE2 4.36Å; V319-F369 HydrophobicContact CG2-CZ 4.09Å; V319-M377 HydrophobicContact CG1-CE 3.64Å
320	V	93.8	Very high	81.1	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-67.1	-48.1	180	176.4	0	0	0	0	110.4	L46 V187 I194 T316 N317 G322 T323 Q324	L46-V320 HydrophobicContact CD1-CB 3.83Å; L46-V320 HydrophobicContact CD1-CG1 3.73Å; L46-V320 HydrophobicContact CD2-CG1 4.2Å; V187-V320 HydrophobicContact CG1-CB 4Å; V187-V320 HydrophobicContact CG1-CG1 4.31Å; V187-V320 HydrophobicContact CG1-CG2 3.77Å; I194-V320 HydrophobicContact CD1-CG1 4.33Å; I194-V320 WeakPolarHBondContact CD1-O 3.45Å; I194-V320 HydrophobicContact CG1-CG1 3.83Å; T316-V320 WeakPolarHBondContact O-CG2 3.45Å; T316-V320 PolarHBondContact O-N 2.69Å; T316-V320 VanDerWaalsContact O-N 3.13Å; N317-V320 PolarHBondContact O-N 3.41Å; V320-G322 PolarHBondContact O-N 2.93Å; V320-T323 PolarHBondContact O-N 3.09Å; V320-Q324 HydrophobicContact CG1-CG 4.41Å; V320-Q324 WeakPolarHBondContact O-CG 3.26Å; V320-Q324 PolarHBondContact O-N 3.35Å
321	A	95.5	Very high	80.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-42.7	178.8	0	0	0	0	0	113.2	L46 E49 L50 N317 T323 Q324 T325	L46-A321 HydrophobicContact CD1-CB 3.78Å; E49-A321 HydrophobicContact CB-CB 3.3Å; E49-A321 HydrophobicContact CG-CB 4.39Å; L50-A321 HydrophobicContact CD2-CB 4Å; L50-A321 HydrophobicContact CG-CB 4.06Å; N317-A321 VanDerWaalsContact O-CB 3.24Å; N317-A321 WeakPolarHBondContact O-CB 3.39Å; N317-A321 PolarHBondContact O-N 3.09Å; A321-T323 VanDerWaalsContact C-N 3.26Å; A321-T323 PolarHBondContact O-N 2.87Å; A321-Q324 PolarHBondContact O-N 3.17Å; A321-T325 WeakPolarHBondContact O-CB 3.38Å; A321-T325 PolarHBondContact O-N 3.4Å; A321-T325 PolarHBondContact O-OG1 3.5Å
322	G	93.1	Very high	80.3	Confident	30 Å²	30	22.3 Å²	22.3	31%	0.309	14%	0.142	S	C	.	.	H	α-helix	trans	-61.6	-38.9	178.2	0	0	0	0	0	111.6	D53 A318 V320 F326	D53-G322 WeakPolarHBondContact OD2-CA 3.47Å; D53-G322 PolarHBondContact OD2-N 3.17Å; A318-G322 PolarHBondContact O-N 3.23Å; V320-G322 PolarHBondContact O-N 2.93Å; G322-F326 WeakPolarHBondContact O-CB 3.37Å; G322-F326 PolarHBondContact O-N 3.41Å
323	T	91.4	Very high	79.3	Confident	29 Å²	29	22.7 Å²	22.7	18%	0.178	14%	0.139	C	C	.	.	H	α-helix	trans	-75.3	-37.2	177.5	-51.3	0	0	0	0	112.1	I194 V319 V320 A321 F326 D327 I363 M367	I194-T323 HydrophobicContact CD1-CG2 3.31Å; V319-T323 WeakPolarHBondContact O-CB 3.28Å; V319-T323 PolarHBondContact O-N 2.81Å; V319-T323 PolarHBondContact O-OG1 3.13Å; V320-T323 PolarHBondContact O-N 3.09Å; A321-T323 VanDerWaalsContact C-N 3.26Å; A321-T323 PolarHBondContact O-N 2.87Å; T323-F326 PolarHBondContact O-N 2.67Å; T323-D327 PolarHBondContact O-N 3.11Å; T323-I363 HydrophobicContact CG2-CD1 3.9Å; T323-M367 HydrophobicContact CG2-CE 4.26Å; T323-M367 HydrophobicContact CG2-SD 3.73Å
324	Q	91	Very high	77.4	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-46.4	171.8	-75.5	-179	-88.9	0	0	111.3	L50 V146 S147 V183 I194 V320 A321 D327 Y328	L50-Q324 HydrophobicContact CD2-CB 3.79Å; V146-Q324 HydrophobicContact CG1-CB 4.41Å; S147-Q324 PolarHBondContact O-NE2 3.02Å; V183-Q324 HydrophobicContact CG1-CB 3.89Å; V183-Q324 HydrophobicContact CG1-CG 3.95Å; V183-Q324 PolarHBondContact O-NE2 2.97Å; V183-Q324 VanDerWaalsContact O-NE2 3.16Å; I194-Q324 HydrophobicContact CD1-CG 4.13Å; I194-Q324 HydrophobicContact CG1-CG 3.91Å; I194-Q324 HydrophobicContact CG2-CG 3.97Å; V320-Q324 HydrophobicContact CG1-CG 4.41Å; V320-Q324 WeakPolarHBondContact O-CG 3.26Å; V320-Q324 PolarHBondContact O-N 3.35Å; A321-Q324 PolarHBondContact O-N 3.17Å; Q324-D327 PolarHBondContact O-N 2.9Å; Q324-Y328 WeakPolarHBondContact O-CB 3.37Å; Q324-Y328 PolarHBondContact O-N 3.26Å
325	T	87	Confident	74.9	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-40.9	179.6	-58.4	0	0	0	0	111.1	D53 L54 A321 Y328 Y329	D53-T325 HydrophobicContact CB-CG2 3.79Å; D53-T325 VanDerWaalsContact CB-OG1 3.23Å; D53-T325 WeakPolarHBondContact CB-OG1 3.06Å; L54-T325 HydrophobicContact CD2-CG2 4.02Å; L54-T325 HydrophobicContact CG-CG2 4.42Å; A321-T325 WeakPolarHBondContact O-CB 3.38Å; A321-T325 PolarHBondContact O-N 3.4Å; A321-T325 PolarHBondContact O-OG1 3.5Å; T325-Y328 PolarHBondContact O-N 2.92Å; T325-Y329 WeakPolarHBondContact O-CB 3.34Å; T325-Y329 PolarHBondContact O-N 2.84Å
326	F	79.9	Confident	72.1	Confident	106 Å²	106	24.8 Å²	24.8	47%	0.465	14%	0.136	S	C	.	.	H	α-helix	trans	-65.8	-46.1	176.9	-171.3	-102.9	0	0	0	112.2	G322 T323 Y328 Y329 L330	G322-F326 WeakPolarHBondContact O-CB 3.37Å; G322-F326 PolarHBondContact O-N 3.41Å; T323-F326 PolarHBondContact O-N 2.67Å; F326-Y328 VanDerWaalsContact C-N 3.29Å; F326-Y328 PolarHBondContact O-N 2.72Å; F326-Y329 CarbonylContact O-C 3.59Å; F326-Y329 WeakPolarHBondContact O-CA 3.44Å; F326-Y329 WeakPolarHBondContact O-CB 3.17Å; F326-Y329 PolarHBondContact O-N 3.46Å; F326-Y329 VanDerWaalsContact O-N 3.08Å; F326-L330 HydrophobicContact CD1-CD1 4.1Å; F326-L330 HydrophobicContact CE1-CD1 3.71Å; F326-L330 HydrophobicContact CE1-CG 4.29Å; F326-L330 HydrophobicContact CZ-CD1 4.34Å; F326-L330 HydrophobicContact CZ-CD2 4.43Å; F326-L330 WeakPolarHBondContact O-CG 3.26Å; F326-L330 PolarHBondContact O-N 3.33Å; F326-L330 VanDerWaalsContact O-N 3.09Å
327	D	69.9	Low	69.1	Low	2 Å²	2	30.9 Å²	30.9	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-40.6	177.6	-167.7	77.6	0	0	0	111.7	V196 T323 Q324 L330 R331 P362 I363	V196-D327 WeakPolarHBondContact CG2-OD2 2.98Å; T323-D327 PolarHBondContact O-N 3.11Å; Q324-D327 PolarHBondContact O-N 2.9Å; D327-L330 WeakPolarHBondContact O-CB 3.24Å; D327-L330 PolarHBondContact O-N 2.82Å; D327-R331 PolarHBondContact O-N 3.21Å; D327-R331 IonicContact OD2-NE 3.85Å; D327-R331 PolarHBondContact OD2-NE 2.55Å; D327-P362 WeakPolarHBondContact OD1-CA 3.49Å; D327-P362 WeakPolarHBondContact OD1-CB 3.37Å; D327-I363 WeakPolarHBondContact OD1-CB 3.27Å; D327-I363 PolarHBondContact OD1-N 2.82Å
328	Y	61.7	Low	66	Low	4 Å²	4	32.2 Å²	32.2	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-44.1	172	167.1	-118	0	0	0	112	I38 L54 F59 V144 Q324 T325 F326 L330 R331 V332	I38-Y328 HydrophobicContact CD1-CD1 4.25Å; I38-Y328 HydrophobicContact CD1-CE1 3.27Å; I38-Y328 WeakPolarHBondContact CD1-OH 3.36Å; I38-Y328 HydrophobicContact CG1-CE1 4.14Å; L54-Y328 HydrophobicContact CD2-CD1 3.68Å; L54-Y328 HydrophobicContact CD2-CE1 3.92Å; F59-Y328 AromaticContact CD1-CE1 3.98Å; F59-Y328 HydrophobicContact CD1-CE1 3.98Å; F59-Y328 AromaticContact CD2-CE1 3.98Å; F59-Y328 HydrophobicContact CD2-CE1 3.98Å; F59-Y328 HydrophobicContact CE1-CD1 4.48Å; F59-Y328 AromaticContact CE1-CE1 3.34Å; F59-Y328 HydrophobicContact CE1-CE1 3.34Å; F59-Y328 AromaticContact CE1-CZ 3.56Å; F59-Y328 WeakPolarHBondContact CE1-OH 3.36Å; F59-Y328 AromaticContact CE2-CD1 3.85Å; F59-Y328 HydrophobicContact CE2-CD1 3.85Å; F59-Y328 AromaticContact CE2-CE1 3.37Å; F59-Y328 HydrophobicContact CE2-CE1 3.37Å; F59-Y328 HydrophobicContact CG-CE1 4.27Å; F59-Y328 AromaticContact CZ-CD1 3.79Å; F59-Y328 HydrophobicContact CZ-CD1 3.79Å; F59-Y328 AromaticContact CZ-CE1 3.01Å; F59-Y328 HydrophobicContact CZ-CE1 3.01Å; F59-Y328 AromaticContact CZ-CZ 3.63Å; V144-Y328 HydrophobicContact CB-CD2 3.85Å; V144-Y328 HydrophobicContact CB-CE2 3.54Å; V144-Y328 HydrophobicContact CG1-CD2 3.63Å; V144-Y328 HydrophobicContact CG1-CE1 4.08Å; V144-Y328 HydrophobicContact CG1-CE2 3.09Å; V144-Y328 HydrophobicContact CG1-CG 4.34Å; V144-Y328 HydrophobicContact CG2-CD2 3.65Å; V144-Y328 HydrophobicContact CG2-CE2 3.91Å; V144-Y328 HydrophobicContact CG2-CG 4.43Å; Q324-Y328 WeakPolarHBondContact O-CB 3.37Å; Q324-Y328 PolarHBondContact O-N 3.26Å; T325-Y328 PolarHBondContact O-N 2.92Å; F326-Y328 VanDerWaalsContact C-N 3.29Å; F326-Y328 PolarHBondContact O-N 2.72Å; Y328-L330 PolarHBondContact O-N 3.26Å; Y328-R331 CarbonylContact O-C 3.6Å; Y328-R331 WeakPolarHBondContact O-CA 3.32Å; Y328-R331 PolarHBondContact O-N 3.42Å; Y328-V332 HydrophobicContact CD2-CG2 4.43Å; Y328-V332 HydrophobicContact CE1-CG2 4.23Å; Y328-V332 HydrophobicContact CE2-CG2 3.8Å; Y328-V332 WeakPolarHBondContact O-CG2 2.81Å; Y328-V332 PolarHBondContact O-N 2.71Å
329	Y	56.9	Low	62.7	Low	7 Å²	7	40.1 Å²	40.1	3%	0.027	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-15.8	174.5	-165.4	-87.1	0	0	0	111.6	V8 L11 L12 I33 F59 T325 F326 S357	V8-Y329 HydrophobicContact CG1-CE2 3.94Å; V8-Y329 WeakPolarHBondContact CG1-OH 3.38Å; V8-Y329 PolarHBondContact O-OH 3.44Å; L11-Y329 HydrophobicContact CB-CE1 4.04Å; L11-Y329 HydrophobicContact CD1-CD1 4.35Å; L11-Y329 HydrophobicContact CD1-CE1 3.85Å; L12-Y329 WeakPolarHBondContact CD1-OH 3.36Å; L12-Y329 HydrophobicContact CD2-CE1 4.04Å; L12-Y329 WeakPolarHBondContact CD2-OH 3.48Å; L12-Y329 WeakPolarHBondContact CG-OH 3.39Å; I33-Y329 HydrophobicContact CD1-CD2 4.4Å; I33-Y329 HydrophobicContact CD1-CE2 4.03Å; I33-Y329 HydrophobicContact CG1-CE2 4.42Å; F59-Y329 HydrophobicContact CE2-CD2 4.06Å; F59-Y329 HydrophobicContact CZ-CD2 4.14Å; T325-Y329 WeakPolarHBondContact O-CB 3.34Å; T325-Y329 PolarHBondContact O-N 2.84Å; F326-Y329 CarbonylContact O-C 3.59Å; F326-Y329 WeakPolarHBondContact O-CA 3.44Å; F326-Y329 WeakPolarHBondContact O-CB 3.17Å; F326-Y329 PolarHBondContact O-N 3.46Å; F326-Y329 VanDerWaalsContact O-N 3.08Å; Y329-S357 CarbonylContact O-C 3.49Å; Y329-S357 WeakPolarHBondContact O-CB 3.47Å; Y329-S357 VanDerWaalsContact O-O 3.11Å; Y329-S357 PolarHBondContact O-OG 3.46Å
330	L	52.7	Low	59.4	Low	4 Å²	4	46 Å²	46	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-91.4	-14.3	171.2	-60.7	176.7	0	0	0	113.2	F326 D327 Y328 S358 C359 A360 P362	F326-L330 HydrophobicContact CD1-CD1 4.1Å; F326-L330 HydrophobicContact CE1-CD1 3.71Å; F326-L330 HydrophobicContact CE1-CG 4.29Å; F326-L330 HydrophobicContact CZ-CD1 4.34Å; F326-L330 HydrophobicContact CZ-CD2 4.43Å; F326-L330 WeakPolarHBondContact O-CG 3.26Å; F326-L330 PolarHBondContact O-N 3.33Å; F326-L330 VanDerWaalsContact O-N 3.09Å; D327-L330 WeakPolarHBondContact O-CB 3.24Å; D327-L330 PolarHBondContact O-N 2.82Å; Y328-L330 PolarHBondContact O-N 3.26Å; L330-S358 VanDerWaalsContact O-CB 3.31Å; L330-S358 WeakPolarHBondContact O-CB 3.35Å; L330-C359 VanDerWaalsContact CD2-SG 3.58Å; L330-A360 HydrophobicContact CD1-CB 3.88Å; L330-A360 HydrophobicContact CD2-CB 3.78Å; L330-A360 HydrophobicContact CG-CB 4.49Å; L330-P362 HydrophobicContact CB-CB 4.22Å
331	R	58	Low	56.2	Low	20 Å²	20	51.5 Å²	51.5	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-110.8	5.9	-170.4	-74.4	-172.4	-174.6	-108.5	9.4	115.1	V196 D327 Y328 R333 W355 P362 I363 K364	V196-R331 VanDerWaalsContact CG1-CZ 3.48Å; D327-R331 PolarHBondContact O-N 3.21Å; D327-R331 IonicContact OD2-NE 3.85Å; D327-R331 PolarHBondContact OD2-NE 2.55Å; Y328-R331 CarbonylContact O-C 3.6Å; Y328-R331 WeakPolarHBondContact O-CA 3.32Å; Y328-R331 PolarHBondContact O-N 3.42Å; R331-R333 PolarHBondContact O-N 2.93Å; R331-R333 VanDerWaalsContact O-N 3.1Å; R331-W355 VanDerWaalsContact CA-CE3 3.47Å; R331-W355 VanDerWaalsContact CA-CZ3 3.47Å; R331-W355 HydrophobicContact CB-CE3 4.14Å; R331-W355 HydrophobicContact CB-CZ3 3.59Å; R331-W355 HydrophobicContact CG-CE3 4.3Å; R331-W355 HydrophobicContact CG-CH2 4.35Å; R331-W355 HydrophobicContact CG-CZ3 3.62Å; R331-W355 WeakPolarHBondContact O-CZ3 3.47Å; R331-P362 HydrophobicContact CG-CB 3.81Å; R331-P362 HydrophobicContact CG-CG 4.08Å; R331-I363 PolarHBondContact NH2-O 3.05Å; R331-K364 PolarHBondContact NH2-O 2.75Å
332	V	53.5	Low	52.8	Low	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.312	C	S	.	.			trans	-59.4	120.2	-179.3	-171.1	0	0	0	0	109.1	I33 C36 F59 Y328 W355 Y356 S357	I33-V332 HydrophobicContact CD1-CB 4.22Å; I33-V332 HydrophobicContact CD1-CG1 4.16Å; I33-V332 HydrophobicContact CD1-CG2 3.74Å; C36-V332 HydrophobicContact CB-CG1 4.38Å; C36-V332 WeakPolarHBondContact SG-CG1 3.32Å; F59-V332 HydrophobicContact CE1-CG2 4.04Å; F59-V332 HydrophobicContact CZ-CG2 3.81Å; Y328-V332 HydrophobicContact CD2-CG2 4.43Å; Y328-V332 HydrophobicContact CE1-CG2 4.23Å; Y328-V332 HydrophobicContact CE2-CG2 3.8Å; Y328-V332 WeakPolarHBondContact O-CG2 2.81Å; Y328-V332 PolarHBondContact O-N 2.71Å; V332-W355 CarbonylContact O-C 3.54Å; V332-Y356 HydrophobicContact CG1-CD2 4.13Å; V332-Y356 WeakPolarHBondContact O-CB 3.02Å; V332-Y356 PolarHBondContact O-N 3.18Å; V332-S357 VanDerWaalsContact CB-OG 3.25Å; V332-S357 WeakPolarHBondContact CB-OG 3.45Å; V332-S357 VanDerWaalsContact CG2-OG 3.28Å; V332-S357 WeakPolarHBondContact CG2-OG 3.31Å; V332-S357 PolarHBondContact N-OG 3.24Å
333	R	49.2	Very low	49.8	Very low	33 Å²	33	62.2 Å²	62.2	13%	0.125	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.5	-171.1	-178.3	-175.8	-176.8	-169.4	6	110.3	P176 V179 R331 N353 Y356	P176-R333 VanDerWaalsContact CB-NH2 3.25Å; P176-R333 PolarHBondContact O-NH1 3.45Å; P176-R333 PolarHBondContact O-NH2 3.33Å; V179-R333 PolarHBondContact O-NH1 3.23Å; V179-R333 VanDerWaalsContact O-NH1 3.13Å; R331-R333 PolarHBondContact O-N 2.93Å; R331-R333 VanDerWaalsContact O-N 3.1Å; R333-N353 PolarHBondContact NH2-OD1 3.12Å; R333-Y356 VanDerWaalsContact C-CD2 3.4Å
334	S	41.1	Very low	47	Very low	27 Å²	27	65.4 Å²	65.4	19%	0.189	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.8	139.6	-107.2	0	0	0	0	112.5	Q336 K354 Y356	S334-Q336 PolarHBondContact O-N 3.44Å; S334-K354 PolarHBondContact N-O 3.14Å; S334-K354 PolarHBondContact O-N 3.39Å; S334-Y356 VanDerWaalsContact CA-CE2 3.46Å; S334-Y356 WeakPolarHBondContact CB-OH 3.45Å; S334-Y356 VanDerWaalsContact N-CD2 3.28Å; S334-Y356 WeakPolarHBondContact OG-CE2 3.37Å; S334-Y356 PolarHBondContact OG-OH 3.45Å
335	L	36.1	Very low	44.1	Very low	70 Å²	70	69.3 Å²	69.3	37%	0.366	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	100	139.9	-66.3	130.4	0	0	0	108.7	S177 I351	S177-L335 VanDerWaalsContact CB-CD2 3.42Å; L335-I351 HydrophobicContact CD2-CG2 4.06Å
336	Q	32.1	Very low	41.3	Very low	94 Å²	94	76.2 Å²	76.2	44%	0.439	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.8	150.4	-81.9	-169.7	-36.1	0	0	105.6	S334 G338	S334-Q336 PolarHBondContact O-N 3.44Å; Q336-G338 PolarHBondContact O-N 3.4Å; Q336-G338 VanDerWaalsContact O-N 3.12Å
337	V	26.8	Very low	38.7	Very low	130 Å²	130	77.5 Å²	77.5	79%	0.788	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	114.7	165.6	-176.9	0	0	0	0	106	F339	V337-F339 PolarHBondContact O-N 3.46Å
338	G	27.3	Very low	36.8	Very low	31 Å²	31	84.4 Å²	84.4	32%	0.32	49%	0.486	S	S	.	.			trans	-55.3	136.9	-178.6	0	0	0	0	0	111.2	Q336 M340	Q336-G338 PolarHBondContact O-N 3.4Å; Q336-G338 VanDerWaalsContact O-N 3.12Å; G338-M340 PolarHBondContact O-N 2.63Å
339	F	25.9	Very low	35.2	Very low	201 Å²	201	90.8 Å²	90.8	88%	0.882	52%	0.519	S	S	*	.			trans	-55.4	135	168.5	-110.1	-100.3	0	0	0	109.7	V337 V341	V337-F339 PolarHBondContact O-N 3.46Å; F339-V341 PolarHBondContact O-N 2.89Å
340	M	23.8	Very low	33.7	Very low	170 Å²	170	96.7 Å²	96.7	84%	0.837	55%	0.55	S	S	*	*			trans	-55.7	106.6	172.2	-76.2	168	61.4	0	0	110.2	G338	G338-M340 PolarHBondContact O-N 2.63Å
341	V	27.8	Very low	32.6	Very low	118 Å²	118	99.8 Å²	99.8	72%	0.715	57%	0.566	S	S	*	*			trans	-97.1	96	162.5	-173.9	0	0	0	0	107.2	F339 L343	F339-V341 PolarHBondContact O-N 2.89Å; V341-L343 HydrophobicContact CG1-CD1 3.99Å; V341-L343 HydrophobicContact CG1-CG 4.29Å; V341-L343 PolarHBondContact O-N 3.08Å; V341-L343 VanDerWaalsContact O-N 3.16Å
342	S	24.7	Very low	31.6	Very low	109 Å²	109	102.9 Å²	102.9	76%	0.762	58%	0.583	S	S	*	*			trans	-74.6	96	169.7	167.6	0	0	0	0	109.2
343	L	28.5	Very low	30.9	Very low	145 Å²	145	105.5 Å²	105.5	76%	0.759	60%	0.597	S	S	*	*			trans	-121.4	109.7	160.1	-81.2	162.9	0	0	0	107.7	V341	V341-L343 HydrophobicContact CG1-CD1 3.99Å; V341-L343 HydrophobicContact CG1-CG 4.29Å; V341-L343 PolarHBondContact O-N 3.08Å; V341-L343 VanDerWaalsContact O-N 3.16Å
344	A	32.8	Very low	30.5	Very low	97 Å²	97	107.7 Å²	107.7	80%	0.802	61%	0.608	S	S	*	*	S	Bend	trans	53.7	79	168.9	0	0	0	0	0	116.9	M346	A344-M346 PolarHBondContact O-N 3.37Å; A344-M346 VanDerWaalsContact O-N 3.08Å
345	G	31.6	Very low	30.9	Very low	82 Å²	82	109 Å²	109	85%	0.845	61%	0.608	S	S	*	*	S	Bend	trans	74.7	3.5	143.7	0	0	0	0	0	119.6
346	M	27.9	Very low	31.4	Very low	150 Å²	150	106.4 Å²	106.4	74%	0.739	59%	0.594	S	S	*	*			trans	-134	111.2	170.5	-70.6	-174.9	-174.9	0	0	110.9	A344 H348	A344-M346 PolarHBondContact O-N 3.37Å; A344-M346 VanDerWaalsContact O-N 3.08Å; M346-H348 PolarHBondContact O-N 3.45Å
347	T	25.6	Very low	32.5	Very low	133 Å²	133	101.9 Å²	101.9	82%	0.816	57%	0.573	S	S	*	*			trans	-76.2	84.4	177.2	-35.4	0	0	0	0	109.7
348	H	27.9	Very low	34.1	Very low	147 Å²	147	95.8 Å²	95.8	68%	0.681	54%	0.536	S	S	*	.			trans	-90.7	117	168.4	-76.4	-75.9	0	0	0	109.9	M346 L350	M346-H348 PolarHBondContact O-N 3.45Å; H348-L350 PolarHBondContact O-N 3.25Å; H348-L350 VanDerWaalsContact O-N 3.08Å
349	I	28.1	Very low	36	Very low	138 Å²	138	94.8 Å²	94.8	71%	0.708	52%	0.524	S	S	*	.			trans	-71.7	98	165.9	-63.8	173.2	0	0	0	107	I351	I349-I351 HydrophobicContact CG2-CG1 4.16Å; I349-I351 PolarHBondContact O-N 3.09Å
350	L	25.9	Very low	38.2	Very low	130 Å²	130	86.3 Å²	86.3	68%	0.681	49%	0.491	S	S	*	.			trans	-75.7	100.6	168	-98.5	137.6	0	0	0	108.6	H348 I352	H348-L350 PolarHBondContact O-N 3.25Å; H348-L350 VanDerWaalsContact O-N 3.08Å; L350-I352 PolarHBondContact O-N 2.93Å; L350-I352 VanDerWaalsContact O-N 3.13Å
351	I	30.9	Very low	40.7	Very low	70 Å²	70	83.7 Å²	83.7	36%	0.359	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	99.5	165.7	-59.2	176.3	0	0	0	106.9	L335 I349 N353	L335-I351 HydrophobicContact CD2-CG2 4.06Å; I349-I351 HydrophobicContact CG2-CG1 4.16Å; I349-I351 PolarHBondContact O-N 3.09Å; I351-N353 PolarHBondContact O-N 3.38Å
352	I	35.1	Very low	42.9	Very low	84 Å²	84	79.5 Å²	79.5	43%	0.431	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.3	172.9	-57.6	176	0	0	0	107.4	L350 K354	L350-I352 PolarHBondContact O-N 2.93Å; L350-I352 VanDerWaalsContact O-N 3.13Å; I352-K354 HydrophobicContact CG2-CG 4.16Å; I352-K354 PolarHBondContact O-N 2.95Å; I352-K354 VanDerWaalsContact O-N 3.1Å
353	N	39.5	Very low	45.5	Very low	56 Å²	56	75.8 Å²	75.8	30%	0.299	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	92.8	174.2	-69.3	-55.4	0	0	0	108.9	R333 I351 W355	R333-N353 PolarHBondContact NH2-OD1 3.12Å; I351-N353 PolarHBondContact O-N 3.38Å; N353-W355 PolarHBondContact O-N 2.78Å
354	K	41.6	Very low	48	Very low	80 Å²	80	74.7 Å²	74.7	35%	0.348	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116.6	172.7	-78.8	-175	-178.9	171.3	0	110.2	S334 I352 Y356	S334-K354 PolarHBondContact N-O 3.14Å; S334-K354 PolarHBondContact O-N 3.39Å; I352-K354 HydrophobicContact CG2-CG 4.16Å; I352-K354 PolarHBondContact O-N 2.95Å; I352-K354 VanDerWaalsContact O-N 3.1Å; K354-Y356 HydrophobicContact CB-CD1 4.46Å; K354-Y356 HydrophobicContact CB-CE1 4.33Å
355	W	48.7	Very low	50.6	Low	53 Å²	53	70.3 Å²	70.3	20%	0.201	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	111.1	166.1	-60.2	90.8	0	0	0	108.5	H20 E22 R331 V332 N353 S357 S358	H20-W355 AromaticContact CE1-CD1 3.43Å; H20-W355 VanDerWaalsContact CE1-CD1 3.43Å; H20-W355 AromaticContact CE1-NE1 3.64Å; H20-W355 AromaticContact ND1-CD1 3.65Å; H20-W355 AromaticContact NE2-NE1 3.92Å; E22-W355 VanDerWaalsContact OE2-CD1 3.23Å; R331-W355 VanDerWaalsContact CA-CE3 3.47Å; R331-W355 VanDerWaalsContact CA-CZ3 3.47Å; R331-W355 HydrophobicContact CB-CE3 4.14Å; R331-W355 HydrophobicContact CB-CZ3 3.59Å; R331-W355 HydrophobicContact CG-CE3 4.3Å; R331-W355 HydrophobicContact CG-CH2 4.35Å; R331-W355 HydrophobicContact CG-CZ3 3.62Å; R331-W355 WeakPolarHBondContact O-CZ3 3.47Å; V332-W355 CarbonylContact O-C 3.54Å; N353-W355 PolarHBondContact O-N 2.78Å; W355-S357 VanDerWaalsContact C-N 3.35Å; W355-S357 PolarHBondContact O-N 3.33Å; W355-S358 WeakPolarHBondContact CB-OG 2.98Å; W355-S358 PolarHBondContact O-OG 3.15Å
356	Y	46.9	Very low	53.5	Low	16 Å²	16	67.5 Å²	67.5	6%	0.063	34%	0.342	C	S	.	.	S	Bend	trans	-77.2	-18.5	-167.1	-73.7	-45.4	0	0	0	116	L32 V332 R333 S334 K354	L32-Y356 HydrophobicContact CB-CD2 4.14Å; L32-Y356 HydrophobicContact CB-CE2 4.12Å; L32-Y356 HydrophobicContact CB-CG 4.27Å; L32-Y356 HydrophobicContact CD1-CD1 3.34Å; L32-Y356 HydrophobicContact CD1-CD2 4.32Å; L32-Y356 HydrophobicContact CD1-CE1 3.14Å; L32-Y356 HydrophobicContact CD1-CE2 4.1Å; L32-Y356 HydrophobicContact CD1-CG 3.89Å; L32-Y356 VanDerWaalsContact CD1-CZ 3.45Å; L32-Y356 HydrophobicContact CD2-CE1 4.1Å; L32-Y356 HydrophobicContact CD2-CE2 3.9Å; L32-Y356 VanDerWaalsContact CD2-CZ 3.48Å; L32-Y356 VanDerWaalsContact CD2-OH 3.25Å; L32-Y356 WeakPolarHBondContact CD2-OH 3.21Å; L32-Y356 HydrophobicContact CG-CD1 4.4Å; L32-Y356 HydrophobicContact CG-CE1 4.09Å; L32-Y356 HydrophobicContact CG-CE2 4.25Å; V332-Y356 HydrophobicContact CG1-CD2 4.13Å; V332-Y356 WeakPolarHBondContact O-CB 3.02Å; V332-Y356 PolarHBondContact O-N 3.18Å; R333-Y356 VanDerWaalsContact C-CD2 3.4Å; S334-Y356 VanDerWaalsContact CA-CE2 3.46Å; S334-Y356 WeakPolarHBondContact CB-OH 3.45Å; S334-Y356 VanDerWaalsContact N-CD2 3.28Å; S334-Y356 WeakPolarHBondContact OG-CE2 3.37Å; S334-Y356 PolarHBondContact OG-OH 3.45Å; K354-Y356 HydrophobicContact CB-CD1 4.46Å; K354-Y356 HydrophobicContact CB-CE1 4.33Å
357	S	55.2	Low	56.5	Low	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-139.3	7.1	-160.1	60	0	0	0	0	112.2	Y329 V332 W355 C359	Y329-S357 CarbonylContact O-C 3.49Å; Y329-S357 WeakPolarHBondContact O-CB 3.47Å; Y329-S357 VanDerWaalsContact O-O 3.11Å; Y329-S357 PolarHBondContact O-OG 3.46Å; V332-S357 VanDerWaalsContact CB-OG 3.25Å; V332-S357 WeakPolarHBondContact CB-OG 3.45Å; V332-S357 VanDerWaalsContact CG2-OG 3.28Å; V332-S357 WeakPolarHBondContact CG2-OG 3.31Å; V332-S357 PolarHBondContact N-OG 3.24Å; W355-S357 VanDerWaalsContact C-N 3.35Å; W355-S357 PolarHBondContact O-N 3.33Å; S357-C359 PolarHBondContact O-N 3.11Å
358	S	60.9	Low	59.7	Low	1 Å²	1	57 Å²	57	1%	0.007	29%	0.287	C	S	.	.			trans	-76.8	60.1	-173.7	55.8	0	0	0	0	112.3	A19 H20 F23 L330 W355 A360	A19-S358 CarbonylContact C-O 3.59Å; A19-S358 VanDerWaalsContact CA-O 3.25Å; A19-S358 WeakPolarHBondContact CA-O 3.33Å; A19-S358 WeakPolarHBondContact CB-O 3.36Å; H20-S358 VanDerWaalsContact CB-CB 3.41Å; H20-S358 VanDerWaalsContact CB-OG 3.25Å; H20-S358 WeakPolarHBondContact CB-OG 3.39Å; H20-S358 PolarHBondContact N-O 3.11Å; F23-S358 WeakPolarHBondContact CB-OG 3.31Å; L330-S358 VanDerWaalsContact O-CB 3.31Å; L330-S358 WeakPolarHBondContact O-CB 3.35Å; W355-S358 WeakPolarHBondContact CB-OG 2.98Å; W355-S358 PolarHBondContact O-OG 3.15Å; S358-A360 PolarHBondContact O-N 2.87Å; S358-A360 VanDerWaalsContact O-N 3.15Å
359	C	66.2	Low	62.7	Low	11 Å²	11	50.7 Å²	50.7	7%	0.074	26%	0.258	C	S	.	.	S	Bend	trans	-61.8	-9.9	166.1	61.8	0	0	0	0	112.9	L11 S16 A19 L330 S357	L11-C359 HydrophobicContact CB-CB 4.16Å; L11-C359 VanDerWaalsContact O-CB 3.32Å; L11-C359 WeakPolarHBondContact O-CB 3.32Å; S16-C359 PolarHBondContact OG-O 2.84Å; A19-C359 PolarHBondContact N-O 3.11Å; L330-C359 VanDerWaalsContact CD2-SG 3.58Å; S357-C359 PolarHBondContact O-N 3.11Å
360	A	73.3	Confident	65.6	Low	22 Å²	22	47.2 Å²	47.2	18%	0.182	24%	0.238	C	C	.	.	S	Bend	trans	-146	164.5	170.9	0	0	0	0	0	111.1	L18 L330 S358	L18-A360 CarbonylContact O-C 3.55Å; L18-A360 VanDerWaalsContact O-CA 3.23Å; L18-A360 WeakPolarHBondContact O-CA 3.4Å; L330-A360 HydrophobicContact CD1-CB 3.88Å; L330-A360 HydrophobicContact CD2-CB 3.78Å; L330-A360 HydrophobicContact CG-CB 4.49Å; S358-A360 PolarHBondContact O-N 2.87Å; S358-A360 VanDerWaalsContact O-N 3.15Å
361	L	74.9	Confident	68.4	Low	115 Å²	115	43.9 Å²	43.9	60%	0.602	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-72.7	136.1	168.3	-68.5	173.1	0	0	0	110.8	L18 H20	L18-L361 PolarHBondContact O-N 3.36Å; H20-L361 HydrophobicContact CB-CD2 4.34Å
362	P	74.4	Confident	70.4	Confident	30 Å²	30	43.6 Å²	43.6	20%	0.195	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-71.3	162.1	177.7	30.1	-35	0	0	0	112.6	D327 L330 R331 K364	D327-P362 WeakPolarHBondContact OD1-CA 3.49Å; D327-P362 WeakPolarHBondContact OD1-CB 3.37Å; L330-P362 HydrophobicContact CB-CB 4.22Å; R331-P362 HydrophobicContact CG-CB 3.81Å; R331-P362 HydrophobicContact CG-CG 4.08Å; P362-K364 PolarHBondContact O-N 3.37Å
363	I	79.3	Confident	72.6	Confident	32 Å²	32	47.6 Å²	47.6	16%	0.164	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-56.6	132.9	166.1	-62.2	170.5	0	0	0	107.6	T323 D327 R331 M367 T379	T323-I363 HydrophobicContact CG2-CD1 3.9Å; D327-I363 WeakPolarHBondContact OD1-CB 3.27Å; D327-I363 PolarHBondContact OD1-N 2.82Å; R331-I363 PolarHBondContact NH2-O 3.05Å; I363-M367 HydrophobicContact CD1-CB 4.26Å; I363-M367 HydrophobicContact CD1-CE 4.08Å; I363-M367 HydrophobicContact CD1-SD 4.2Å; I363-T379 HydrophobicContact CG2-CG2 4.49Å
364	K	81.2	Confident	74.7	Confident	122 Å²	122	46.6 Å²	46.6	53%	0.53	25%	0.249	S	C	.	.			trans	-55.8	-60.9	-174.9	-68.2	-173.5	164.5	-168.8	0	112.3	R331 P362 E381	R331-K364 PolarHBondContact NH2-O 2.75Å; P362-K364 PolarHBondContact O-N 3.37Å; K364-E381 HydrophobicContact CB-CB 4.05Å; K364-E381 HydrophobicContact CB-CG 4.19Å; K364-E381 HydrophobicContact CD-CB 3.71Å; K364-E381 HydrophobicContact CD-CG 4.03Å; K364-E381 WeakPolarHBondContact CD-OE2 3.22Å; K364-E381 WeakPolarHBondContact CE-OE2 3.23Å; K364-E381 IonicContact NZ-OE2 2.66Å; K364-E381 PolarHBondContact NZ-OE2 3.41Å
365	N	88.1	Confident	77	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.027	25%	0.252	C	S	.	.	S	Bend	trans	-158.2	-19	170.6	65.9	48.9	0	0	0	116.6	R195 V196 Y208 L380 L382	R195-N365 CarbonylContact C-O 3.56Å; R195-N365 VanDerWaalsContact CA-O 3.29Å; R195-N365 WeakPolarHBondContact CA-O 3.23Å; V196-N365 PolarHBondContact N-O 3.14Å; Y208-N365 WeakPolarHBondContact OH-CB 3.29Å; Y208-N365 PolarHBondContact OH-O 3.45Å; Y208-N365 PolarHBondContact OH-OD1 3.16Å; N365-L380 PolarHBondContact OD1-O 3.47Å; N365-L382 PolarHBondContact ND2-N 3.36Å; N365-L382 VanDerWaalsContact ND2-N 3.12Å; N365-L382 PolarHBondContact ND2-O 2.9Å; N365-L382 PolarHBondContact OD1-N 2.66Å
366	Y	91.2	Very high	78.9	Confident	22 Å²	22	47.8 Å²	47.8	9%	0.086	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	138.7	-178.1	-169.8	-89.7	0	0	0	112.9	N193 I194 R195 Y208 L211 T379 L380 L382	N193-Y366 HydrophobicContact CB-CE2 4.28Å; N193-Y366 PolarHBondContact ND2-OH 3.11Å; I194-Y366 WeakPolarHBondContact O-CA 3.31Å; R195-Y366 HydrophobicContact CG-CD2 3.82Å; R195-Y366 HydrophobicContact CG-CE2 3.98Å; Y208-Y366 AromaticContact CD1-CD2 3.96Å; Y208-Y366 HydrophobicContact CD1-CD2 3.96Å; Y208-Y366 HydrophobicContact CD1-CE2 4.42Å; Y208-Y366 AromaticContact CE1-CD2 3.8Å; Y208-Y366 HydrophobicContact CE1-CD2 3.8Å; Y208-Y366 HydrophobicContact CE1-CG 4.44Å; L211-Y366 HydrophobicContact CD1-CD2 4.17Å; L211-Y366 HydrophobicContact CD1-CE2 3.76Å; Y366-T379 CarbonylContact O-C 3.54Å; Y366-T379 WeakPolarHBondContact O-CA 3.25Å; Y366-L380 HydrophobicContact CD1-CB 4.37Å; Y366-L380 HydrophobicContact CD1-CD1 4.4Å; Y366-L380 PolarHBondContact N-O 2.81Å; Y366-L380 VanDerWaalsContact N-O 3.14Å; Y366-L380 PolarHBondContact O-N 3.1Å; Y366-L382 HydrophobicContact CD1-CD1 4.4Å; Y366-L382 HydrophobicContact CD2-CD1 4.02Å; Y366-L382 HydrophobicContact CG-CD1 3.83Å
367	M	92.1	Very high	81.1	Confident	26 Å²	26	49.7 Å²	49.7	13%	0.128	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.1	167.6	-176.1	-167.2	-108.5	0	0	110	N193 I194 T323 I363 M377 K378 T379	N193-M367 CarbonylContact C-O 3.56Å; N193-M367 WeakPolarHBondContact CA-O 3.42Å; N193-M367 WeakPolarHBondContact CB-O 3.33Å; I194-M367 HydrophobicContact CB-CB 4.4Å; I194-M367 HydrophobicContact CD1-SD 4.42Å; I194-M367 PolarHBondContact N-O 3.4Å; I194-M367 PolarHBondContact O-N 2.68Å; T323-M367 HydrophobicContact CG2-CE 4.26Å; T323-M367 HydrophobicContact CG2-SD 3.73Å; I363-M367 HydrophobicContact CD1-CB 4.26Å; I363-M367 HydrophobicContact CD1-CE 4.08Å; I363-M367 HydrophobicContact CD1-SD 4.2Å; M367-M377 HydrophobicContact CE-CB 4.44Å; M367-M377 HydrophobicContact CE-SD 4.2Å; M367-K378 CarbonylContact C-O 3.57Å; M367-K378 VanDerWaalsContact CA-O 3.28Å; M367-K378 WeakPolarHBondContact CA-O 3.17Å; M367-T379 HydrophobicContact CB-CG2 4.16Å; M367-T379 HydrophobicContact CE-CG2 3.76Å; M367-T379 HydrophobicContact CG-CG2 3.96Å
368	S	92.2	Very high	82.7	Confident	38 Å²	38	52.5 Å²	52.5	27%	0.266	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.4	164.9	61.4	0	0	0	0	111.7	G192 M377 K378	G192-S368 CarbonylContact O-C 3.57Å; G192-S368 WeakPolarHBondContact O-CA 3.37Å; S368-M377 CarbonylContact O-C 3.54Å; S368-M377 VanDerWaalsContact O-CA 3.26Å; S368-M377 WeakPolarHBondContact O-CA 3.5Å; S368-K378 PolarHBondContact N-O 3.46Å; S368-K378 PolarHBondContact O-N 3.15Å
369	F	91.1	Very high	84.1	Confident	14 Å²	14	54.9 Å²	54.9	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.2	177.4	168.5	-99.3	0	0	0	109.8	K191 G192 T316 V319 D371 I375 Y376 M377	K191-F369 CarbonylContact C-O 3.52Å; K191-F369 VanDerWaalsContact CA-O 3.31Å; K191-F369 WeakPolarHBondContact CA-O 3.34Å; G192-F369 PolarHBondContact N-O 2.93Å; G192-F369 PolarHBondContact O-N 2.82Å; T316-F369 HydrophobicContact CG2-CD1 4.09Å; T316-F369 HydrophobicContact CG2-CE1 4.01Å; V319-F369 HydrophobicContact CB-CE1 4.41Å; V319-F369 HydrophobicContact CB-CE2 4.43Å; V319-F369 HydrophobicContact CB-CZ 4.26Å; V319-F369 HydrophobicContact CG1-CD1 4.3Å; V319-F369 HydrophobicContact CG1-CD2 3.72Å; V319-F369 HydrophobicContact CG1-CE1 4.32Å; V319-F369 HydrophobicContact CG1-CE2 3.7Å; V319-F369 HydrophobicContact CG1-CG 4.01Å; V319-F369 HydrophobicContact CG1-CZ 4.02Å; V319-F369 HydrophobicContact CG2-CE2 4.36Å; V319-F369 HydrophobicContact CG2-CZ 4.09Å; F369-D371 HydrophobicContact CE1-CB 4.14Å; F369-D371 HydrophobicContact CZ-CB 3.84Å; F369-I375 HydrophobicContact CE2-CG2 3.85Å; F369-Y376 WeakPolarHBondContact CA-O 3.46Å; F369-M377 HydrophobicContact CD2-CE 3.63Å; F369-M377 HydrophobicContact CD2-CG 3.89Å; F369-M377 HydrophobicContact CE2-CE 3.98Å
370	Q	88.4	Confident	85.1	Confident	65 Å²	65	56.5 Å²	56.5	30%	0.304	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150.8	166.9	65.4	164.2	24.7	0	0	112.2	F190 K191 I375 Y376	F190-Q370 CarbonylContact O-C 3.59Å; F190-Q370 VanDerWaalsContact O-CA 3.3Å; F190-Q370 WeakPolarHBondContact O-CA 3.41Å; K191-Q370 HydrophobicContact CG-CB 4.08Å; Q370-I375 WeakPolarHBondContact O-CA 3.26Å; Q370-Y376 HydrophobicContact CG-CD2 4.18Å; Q370-Y376 HydrophobicContact CG-CG 4.5Å; Q370-Y376 PolarHBondContact N-O 3.12Å; Q370-Y376 PolarHBondContact O-N 3.36Å
371	D	84.2	Confident	85.7	Confident	59 Å²	59	60.8 Å²	60.8	32%	0.316	32%	0.318	S	S	.	.			trans	-133.3	21	-179.8	-169.6	23	0	0	0	113.3	F190 F369 G374 I375	F190-D371 HydrophobicContact CB-CB 4.33Å; F190-D371 PolarHBondContact O-N 2.71Å; F369-D371 HydrophobicContact CE1-CB 4.14Å; F369-D371 HydrophobicContact CZ-CB 3.84Å; D371-G374 WeakPolarHBondContact CA-O 3.27Å; D371-I375 VanDerWaalsContact OD1-CG1 3.27Å; D371-I375 WeakPolarHBondContact OD1-CG1 3.08Å
372	A	74.1	Confident	86.3	Confident	65 Å²	65	57.9 Å²	57.9	54%	0.537	30%	0.303	S	S	.	.	S	Bend	trans	-77.4	-36	-176.6	0	0	0	0	0	113.5
373	E	80.2	Confident	86.8	Confident	168 Å²	168	60.1 Å²	60.1	79%	0.785	31%	0.311	S	S	*	.	S	Bend	trans	-128	33.1	-175.1	-64.3	-178.1	170.5	0	0	110.9	Y376	E373-Y376 WeakPolarHBondContact O-CE2 3.4Å
374	G	83.8	Confident	87	Confident	35 Å²	35	62.4 Å²	62.4	36%	0.361	32%	0.317	S	S	.	.	S	Bend	trans	105.3	169.7	-164.3	0	0	0	0	0	111.8	D371 Y376	D371-G374 WeakPolarHBondContact CA-O 3.27Å; G374-Y376 VanDerWaalsContact O-CD2 3.23Å; G374-Y376 WeakPolarHBondContact O-CD2 3.27Å
375	I	89.6	Confident	87	Confident	80 Å²	80	62.3 Å²	62.3	41%	0.41	31%	0.313	S	S	.	.			trans	-88.5	118.4	-173.7	-62.1	170	0	0	0	110	F369 Q370 D371	F369-I375 HydrophobicContact CE2-CG2 3.85Å; Q370-I375 WeakPolarHBondContact O-CA 3.26Å; D371-I375 VanDerWaalsContact OD1-CG1 3.27Å; D371-I375 WeakPolarHBondContact OD1-CG1 3.08Å
376	Y	90.2	Very high	85.8	Confident	78 Å²	78	65 Å²	65	31%	0.306	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.3	176.3	-59.4	-85.2	0	0	0	111.2	F369 Q370 E373 G374 R412	F369-Y376 WeakPolarHBondContact CA-O 3.46Å; Q370-Y376 HydrophobicContact CG-CD2 4.18Å; Q370-Y376 HydrophobicContact CG-CG 4.5Å; Q370-Y376 PolarHBondContact N-O 3.12Å; Q370-Y376 PolarHBondContact O-N 3.36Å; E373-Y376 WeakPolarHBondContact O-CE2 3.4Å; G374-Y376 VanDerWaalsContact O-CD2 3.23Å; G374-Y376 WeakPolarHBondContact O-CD2 3.27Å; Y376-R412 HydrophobicContact CD1-CG 4.42Å; Y376-R412 HydrophobicContact CE1-CG 4.15Å
377	M	91.4	Very high	84.2	Confident	56 Å²	56	68.3 Å²	68.3	28%	0.276	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138	171	-67.7	176.1	-178.7	0	0	109.5	V319 M367 S368 F369	V319-M377 HydrophobicContact CG1-CE 3.64Å; M367-M377 HydrophobicContact CE-CB 4.44Å; M367-M377 HydrophobicContact CE-SD 4.2Å; S368-M377 CarbonylContact O-C 3.54Å; S368-M377 VanDerWaalsContact O-CA 3.26Å; S368-M377 WeakPolarHBondContact O-CA 3.5Å; F369-M377 HydrophobicContact CD2-CE 3.63Å; F369-M377 HydrophobicContact CD2-CG 3.89Å; F369-M377 HydrophobicContact CE2-CE 3.98Å
378	K	90	Very high	82.6	Confident	59 Å²	59	69.5 Å²	69.5	26%	0.257	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.5	176.4	-177	174.6	178.4	175.8	0	109.4	M367 S368 L380 E408 V410	M367-K378 CarbonylContact C-O 3.57Å; M367-K378 VanDerWaalsContact CA-O 3.28Å; M367-K378 WeakPolarHBondContact CA-O 3.17Å; S368-K378 PolarHBondContact N-O 3.46Å; S368-K378 PolarHBondContact O-N 3.15Å; K378-L380 HydrophobicContact CG-CG 4.38Å; K378-E408 WeakPolarHBondContact CE-OE1 3.45Å; K378-E408 VanDerWaalsContact NZ-CD 3.32Å; K378-E408 IonicContact NZ-OE1 3.71Å; K378-E408 PolarHBondContact NZ-OE1 3.08Å; K378-E408 IonicContact NZ-OE2 3.94Å; K378-V410 HydrophobicContact CD-CG2 4.5Å
379	T	90	Very high	80.6	Confident	50 Å²	50	68.3 Å²	68.3	31%	0.307	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.2	174.4	51.8	0	0	0	0	109.9	I363 Y366 M367	I363-T379 HydrophobicContact CG2-CG2 4.49Å; Y366-T379 CarbonylContact O-C 3.54Å; Y366-T379 WeakPolarHBondContact O-CA 3.25Å; M367-T379 HydrophobicContact CB-CG2 4.16Å; M367-T379 HydrophobicContact CE-CG2 3.76Å; M367-T379 HydrophobicContact CG-CG2 3.96Å
380	L	86.8	Confident	78.5	Confident	46 Å²	46	73.1 Å²	73.1	24%	0.241	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.7	178.8	-68.1	170.9	0	0	0	109.5	N365 Y366 K378 E408	N365-L380 PolarHBondContact OD1-O 3.47Å; Y366-L380 HydrophobicContact CD1-CB 4.37Å; Y366-L380 HydrophobicContact CD1-CD1 4.4Å; Y366-L380 PolarHBondContact N-O 2.81Å; Y366-L380 VanDerWaalsContact N-O 3.14Å; Y366-L380 PolarHBondContact O-N 3.1Å; K378-L380 HydrophobicContact CG-CG 4.38Å; L380-E408 HydrophobicContact CD2-CG 4.05Å
381	E	87.2	Confident	76.5	Confident	112 Å²	112	73.3 Å²	73.3	52%	0.523	38%	0.384	S	S	.	.			trans	-102.6	106.7	162.5	-177.8	171.4	-150.7	0	0	107.8	K364	K364-E381 HydrophobicContact CB-CB 4.05Å; K364-E381 HydrophobicContact CB-CG 4.19Å; K364-E381 HydrophobicContact CD-CB 3.71Å; K364-E381 HydrophobicContact CD-CG 4.03Å; K364-E381 WeakPolarHBondContact CD-OE2 3.22Å; K364-E381 WeakPolarHBondContact CE-OE2 3.23Å; K364-E381 IonicContact NZ-OE2 2.66Å; K364-E381 PolarHBondContact NZ-OE2 3.41Å
382	L	86.2	Confident	74.3	Confident	54 Å²	54	73.5 Å²	73.5	28%	0.283	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-87.7	149	174.8	-73.8	155.3	0	0	0	110.5	P203 Y208 L211 N365 Y366	P203-L382 HydrophobicContact CG-CB 4.38Å; P203-L382 WeakPolarHBondContact CG-O 3.5Å; Y208-L382 HydrophobicContact CD1-CD1 3.64Å; Y208-L382 HydrophobicContact CE1-CB 3.94Å; Y208-L382 HydrophobicContact CE1-CD1 3.38Å; Y208-L382 HydrophobicContact CE1-CG 4.27Å; L211-L382 HydrophobicContact CD1-CD1 3.5Å; N365-L382 PolarHBondContact ND2-N 3.36Å; N365-L382 VanDerWaalsContact ND2-N 3.12Å; N365-L382 PolarHBondContact ND2-O 2.9Å; N365-L382 PolarHBondContact OD1-N 2.66Å; Y366-L382 HydrophobicContact CD1-CD1 4.4Å; Y366-L382 HydrophobicContact CD2-CD1 4.02Å; Y366-L382 HydrophobicContact CG-CD1 3.83Å
383	E	84.8	Confident	72.6	Confident	76 Å²	76	77.6 Å²	77.6	36%	0.355	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-85.6	146.6	-177.3	-61.9	173.7	170.9	0	0	111.3	R385 V403	E383-R385 PolarHBondContact O-N 3.29Å; E383-V403 HydrophobicContact CB-CG1 4.07Å; E383-V403 HydrophobicContact CG-CB 4.26Å; E383-V403 HydrophobicContact CG-CG1 3.5Å; E383-V403 VanDerWaalsContact CG-CG1 3.5Å; E383-V403 WeakPolarHBondContact OE1-CB 3.09Å; E383-V403 WeakPolarHBondContact OE1-CG1 3.5Å; E383-V403 VanDerWaalsContact OE2-CB 3.26Å; E383-V403 WeakPolarHBondContact OE2-CB 3.37Å; E383-V403 WeakPolarHBondContact OE2-CG1 3.25Å
384	R	84.5	Confident	70.7	Confident	80 Å²	80	75.7 Å²	75.7	30%	0.302	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-78.6	116	177.7	177.7	-179.4	169.9	-161.3	4.2	109.6	G200 I201 P203 V386	G200-R384 VanDerWaalsContact C-CZ 3.49Å; G200-R384 PolarHBondContact O-NH1 2.67Å; G200-R384 PolarHBondContact O-NH2 3.5Å; G200-R384 VanDerWaalsContact O-NH2 3.14Å; I201-R384 VanDerWaalsContact O-CD 3.27Å; I201-R384 WeakPolarHBondContact O-CD 3.31Å; P203-R384 HydrophobicContact CG-CB 4.41Å; R384-V386 PolarHBondContact O-N 3.37Å; R384-V386 VanDerWaalsContact O-N 3.15Å
385	R	81.2	Confident	68.5	Low	120 Å²	120	81 Å²	81	45%	0.453	41%	0.408	S	S	.	.			trans	-79.1	94.1	169.6	-62.8	-176.2	-174.7	173	6.6	109.9	D210 E383 R387 L388	D210-R385 IonicContact OD2-CZ 2.77Å; D210-R385 VanDerWaalsContact OD2-CZ 3.23Å; D210-R385 IonicContact OD2-NH1 2.98Å; D210-R385 PolarHBondContact OD2-NH1 3.48Å; D210-R385 IonicContact OD2-NH2 3.89Å; D210-R385 PolarHBondContact OD2-NH2 3.07Å; E383-R385 PolarHBondContact O-N 3.29Å; R385-R387 VanDerWaalsContact C-N 3.26Å; R385-R387 PolarHBondContact O-N 2.9Å; R385-L388 HydrophobicContact CB-CD1 3.84Å; R385-L388 HydrophobicContact CB-CG 4.22Å; R385-L388 HydrophobicContact CG-CD1 4.4Å; R385-L388 PolarHBondContact O-N 3.14Å
386	V	62.7	Low	65.9	Low	61 Å²	61	81.2 Å²	81.2	37%	0.37	41%	0.41	S	S	.	.	H	α-helix	trans	-53	-39	-171.6	179.8	0	0	0	0	113.1	R384 L388	R384-V386 PolarHBondContact O-N 3.37Å; R384-V386 VanDerWaalsContact O-N 3.15Å; V386-L388 PolarHBondContact O-N 3.43Å
387	R	56.7	Low	62.8	Low	92 Å²	92	85.9 Å²	85.9	35%	0.347	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-36.8	-177.9	-67.8	-174.1	-179.1	-179.5	-1.8	113.9	R385 Q389 L398	R385-R387 VanDerWaalsContact C-N 3.26Å; R385-R387 PolarHBondContact O-N 2.9Å; R387-Q389 PolarHBondContact O-N 3.19Å; R387-L398 PolarHBondContact NH2-O 3.26Å
388	L	58.2	Low	59.8	Low	51 Å²	51	88.6 Å²	88.6	27%	0.267	45%	0.45	S	S	.	.	H	α-helix	trans	-72.3	-29.6	-172.6	-67.4	175.3	0	0	0	113.5	E206 R385 V386 L390 G391	E206-L388 HydrophobicContact CB-CB 3.99Å; E206-L388 HydrophobicContact CB-CD1 4.47Å; R385-L388 HydrophobicContact CB-CD1 3.84Å; R385-L388 HydrophobicContact CB-CG 4.22Å; R385-L388 HydrophobicContact CG-CD1 4.4Å; R385-L388 PolarHBondContact O-N 3.14Å; V386-L388 PolarHBondContact O-N 3.43Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L388-L390 PolarHBondContact O-N 3.47Å; L388-G391 PolarHBondContact O-N 2.58Å
389	Q	51.5	Low	56.7	Low	13 Å²	13	94.3 Å²	94.3	6%	0.061	48%	0.477	C	S	.	.	H	α-helix	trans	-71.1	-27.2	-178.9	-87.9	-177.2	-2.9	0	0	113.6	S202 C204 R387 G391	S202-Q389 PolarHBondContact O-NE2 2.86Å; C204-Q389 HydrophobicContact CB-CG 3.63Å; C204-Q389 WeakPolarHBondContact SG-CG 3.18Å; R387-Q389 PolarHBondContact O-N 3.19Å; Q389-G391 VanDerWaalsContact C-N 3.31Å
390	L	47.7	Very low	53.8	Low	116 Å²	116	96.8 Å²	96.8	61%	0.607	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	0.3	-179.5	-66.1	171.9	0	0	0	112.8	L388 L392	L388-L390 VanDerWaalsContact C-N 3.33Å; L388-L390 PolarHBondContact O-N 3.47Å; L390-L392 HydrophobicContact CB-CD1 3.99Å; L390-L392 HydrophobicContact CB-CG 3.99Å; L390-L392 HydrophobicContact CD1-CD1 4.21Å; L390-L392 PolarHBondContact O-N 2.93Å
391	G	45.9	Very low	50.9	Low	68 Å²	68	97.4 Å²	97.4	70%	0.701	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	17.6	-176.5	0	0	0	0	0	114.1	L388 Q389	L388-G391 PolarHBondContact O-N 2.58Å; Q389-G391 VanDerWaalsContact C-N 3.31Å
392	L	37	Very low	47.9	Very low	64 Å²	64	100 Å²	100	34%	0.335	53%	0.527	S	S	.	.			trans	-82.1	136.9	177.5	-61.5	171.7	0	0	0	109.8	L390	L390-L392 HydrophobicContact CB-CD1 3.99Å; L390-L392 HydrophobicContact CB-CG 3.99Å; L390-L392 HydrophobicContact CD1-CD1 4.21Å; L390-L392 PolarHBondContact O-N 2.93Å
393	Q	38.9	Very low	45.1	Very low	150 Å²	150	102.3 Å²	102.3	70%	0.701	54%	0.543	S	S	*	.			trans	-80.8	157.3	175.2	-68.1	-174	-13.3	0	0	110.2	N395 D396	Q393-N395 PolarHBondContact O-N 3.15Å; Q393-D396 PolarHBondContact O-N 2.82Å; Q393-D396 VanDerWaalsContact O-N 3.11Å
394	D	40.9	Very low	42.2	Very low	128 Å²	128	103.7 Å²	103.7	68%	0.684	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-14	-175.4	-84.2	-36.1	0	0	0	115.7
395	N	37.8	Very low	39.5	Very low	146 Å²	146	107.9 Å²	107.9	78%	0.781	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-7.8	179.7	-72.6	-22.8	0	0	0	114.8	Q393 Q397	Q393-N395 PolarHBondContact O-N 3.15Å; N395-Q397 PolarHBondContact O-N 2.93Å
396	D	34.7	Very low	36.9	Very low	85 Å²	85	110.5 Å²	110.5	46%	0.455	61%	0.606	S	S	.	*	S	Bend	trans	-86.4	109.9	176.1	-67.4	-35.3	0	0	0	110.3	Q393 L398	Q393-D396 PolarHBondContact O-N 2.82Å; Q393-D396 VanDerWaalsContact O-N 3.11Å; D396-L398 PolarHBondContact O-N 3.38Å; D396-L398 VanDerWaalsContact O-N 3.11Å
397	Q	25.7	Very low	35.3	Very low	177 Å²	177	112.1 Å²	112.1	83%	0.827	62%	0.62	S	S	*	*			trans	-69.1	105.4	179.9	-75.2	-163.5	-7.1	0	0	111.6	N395	N395-Q397 PolarHBondContact O-N 2.93Å
398	L	27.4	Very low	33.8	Very low	113 Å²	113	113.9 Å²	113.9	59%	0.592	63%	0.632	S	S	*	*			trans	-133.1	118.4	157.4	-102.2	137.8	0	0	0	109.4	R387 D396 V400	R387-L398 PolarHBondContact NH2-O 3.26Å; D396-L398 PolarHBondContact O-N 3.38Å; D396-L398 VanDerWaalsContact O-N 3.11Å; L398-V400 PolarHBondContact O-N 3.46Å
399	H	25	Very low	32.3	Very low	179 Å²	179	117 Å²	117	83%	0.829	65%	0.649	S	S	*	*			trans	-66.6	114.5	173.4	-74.1	-86.8	0	0	0	109.2
400	V	29	Very low	31.2	Very low	101 Å²	101	120.6 Å²	120.6	61%	0.612	67%	0.671	S	S	*	*			trans	-132.3	112.5	165.8	-172.4	0	0	0	0	106.9	L398	L398-V400 PolarHBondContact O-N 3.46Å
401	G	25.2	Very low	30.3	Very low	60 Å²	60	120 Å²	120	62%	0.619	67%	0.667	S	S	*	*			trans	-78.3	160.5	-175.8	0	0	0	0	0	113.8
402	D	24.6	Very low	29.4	Very low	166 Å²	166	125 Å²	125	89%	0.888	67%	0.665	S	S	*	*			trans	52.9	103.7	158.3	-59.2	-23.2	0	0	0	118.7
403	V	27.6	Very low	29	Very low	103 Å²	103	127.9 Å²	127.9	62%	0.624	68%	0.68	S	S	*	*			trans	-137.7	128.3	151.5	-146	0	0	0	0	110	E383	E383-V403 HydrophobicContact CB-CG1 4.07Å; E383-V403 HydrophobicContact CG-CB 4.26Å; E383-V403 HydrophobicContact CG-CG1 3.5Å; E383-V403 VanDerWaalsContact CG-CG1 3.5Å; E383-V403 WeakPolarHBondContact OE1-CB 3.09Å; E383-V403 WeakPolarHBondContact OE1-CG1 3.5Å; E383-V403 VanDerWaalsContact OE2-CB 3.26Å; E383-V403 WeakPolarHBondContact OE2-CB 3.37Å; E383-V403 WeakPolarHBondContact OE2-CG1 3.25Å
404	S	25	Very low	28.3	Very low	105 Å²	105	129 Å²	129	73%	0.734	68%	0.683	S	S	*	*			trans	-113.7	127.8	-174.8	53.2	0	0	0	0	110.5	Q406	S404-Q406 PolarHBondContact O-N 3.22Å
405	L	26.8	Very low	27.8	Very low	167 Å²	167	131.7 Å²	131.7	87%	0.874	69%	0.689	S	S	*	*			trans	-66.9	118	175.8	-83.4	147.2	0	0	0	111.4
406	Q	26.5	Very low	27.2	Very low	175 Å²	175	131.8 Å²	131.8	82%	0.818	69%	0.688	S	S	*	*			trans	-138.3	131.6	158.5	-76.8	-151.1	-18	0	0	114.8	S404	S404-Q406 PolarHBondContact O-N 3.22Å
407	S	28.8	Very low	26.9	Very low	95 Å²	95	133.9 Å²	133.9	66%	0.664	70%	0.704	S	S	*	*			trans	82	102.1	158.8	68.2	0	0	0	0	119.5
408	E	26.4	Very low	26.9	Very low	130 Å²	130	135 Å²	135	61%	0.607	71%	0.706	S	S	*	*			trans	-82.4	131.9	155.4	-69.2	-171.9	149.4	0	0	109.7	K378 L380	K378-E408 WeakPolarHBondContact CE-OE1 3.45Å; K378-E408 VanDerWaalsContact NZ-CD 3.32Å; K378-E408 IonicContact NZ-OE1 3.71Å; K378-E408 PolarHBondContact NZ-OE1 3.08Å; K378-E408 IonicContact NZ-OE2 3.94Å; L380-E408 HydrophobicContact CD2-CG 4.05Å
409	L	26.7	Very low	27	Very low	117 Å²	117	141.1 Å²	141.1	61%	0.613	72%	0.721	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.7	111.6	163	-134.6	102.2	0	0	0	108.2	I411	L409-I411 HydrophobicContact CD2-CD1 4.26Å; L409-I411 HydrophobicContact CD2-CG1 4.07Å
410	V	28.2	Very low	27.2	Very low	88 Å²	88	138.1 Å²	138.1	53%	0.533	72%	0.72	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	107.2	172.8	177	0	0	0	0	108	K378	K378-V410 HydrophobicContact CD-CG2 4.5Å
411	I	29.1	Very low	27.3	Very low	102 Å²	102	137.3 Å²	137.3	52%	0.523	72%	0.724	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.8	106.2	173.6	-59.5	177.6	0	0	0	108.4	L409 L413	L409-I411 HydrophobicContact CD2-CD1 4.26Å; L409-I411 HydrophobicContact CD2-CG1 4.07Å; I411-L413 HydrophobicContact CG2-CG 4.41Å; I411-L413 PolarHBondContact O-N 3.01Å
412	R	25.3	Very low	27.7	Very low	175 Å²	175	140.5 Å²	140.5	66%	0.66	73%	0.732	S	S	*	*			trans	-82	105.2	165.2	-92	-177.6	172.3	-177.2	-4.7	109	Y376 K414	Y376-R412 HydrophobicContact CD1-CG 4.42Å; Y376-R412 HydrophobicContact CE1-CG 4.15Å; R412-K414 PolarHBondContact O-N 3.39Å; R412-K414 VanDerWaalsContact O-N 3.09Å
413	L	28.5	Very low	28.2	Very low	124 Å²	124	141.2 Å²	141.2	65%	0.649	73%	0.73	S	S	*	*			trans	-75.3	92.1	164.8	-77.1	165.5	0	0	0	109	I411 F415	I411-L413 HydrophobicContact CG2-CG 4.41Å; I411-L413 PolarHBondContact O-N 3.01Å; L413-F415 PolarHBondContact O-N 3.13Å
414	K	25.7	Very low	28.3	Very low	173 Å²	173	145.1 Å²	145.1	75%	0.752	74%	0.741	S	S	*	*			trans	-74.4	111.9	163.2	-92.7	-177.4	173.8	179.7	0	108.2	R412 I416	R412-K414 PolarHBondContact O-N 3.39Å; R412-K414 VanDerWaalsContact O-N 3.09Å; K414-I416 PolarHBondContact O-N 3.01Å
415	F	28.8	Very low	28.9	Very low	184 Å²	184	147.2 Å²	147.2	81%	0.807	75%	0.75	S	S	*	*			trans	-60.9	103.1	159	-88.9	-90.7	0	0	0	108.3	L413 T417	L413-F415 PolarHBondContact O-N 3.13Å; F415-T417 PolarHBondContact O-N 3.01Å; F415-T417 VanDerWaalsContact O-N 3.17Å
416	I	25.6	Very low	29	Very low	148 Å²	148	145.6 Å²	145.6	76%	0.759	75%	0.746	S	S	*	*			trans	-79.6	92.4	170.5	-61.9	174.5	0	0	0	107.2	K414 K418	K414-I416 PolarHBondContact O-N 3.01Å; I416-K418 PolarHBondContact O-N 3.16Å
417	T	28.4	Very low	29.4	Very low	129 Å²	129	145 Å²	145	79%	0.791	75%	0.748	S	S	*	*			trans	-69.6	107.9	151.3	43.2	0	0	0	0	107.3	F415 R419	F415-T417 PolarHBondContact O-N 3.01Å; F415-T417 VanDerWaalsContact O-N 3.17Å; T417-R419 PolarHBondContact O-N 3.08Å
418	K	25.3	Very low	29.8	Very low	201 Å²	201	152.7 Å²	152.7	87%	0.874	77%	0.773	S	S	*	*			trans	-49.1	109.7	170.8	-87.7	-179.5	172.6	178	0	110.2	I416	I416-K418 PolarHBondContact O-N 3.16Å
419	R	29.9	Very low	30	Very low	242 Å²	242	153.8 Å²	153.8	91%	0.913	78%	0.782	S	S	*	*			trans	-133.8	132.3	147	-95.2	-174.7	175.4	179.3	-1.3	108.3	T417	T417-R419 PolarHBondContact O-N 3.08Å
420	S	29	Very low	30.1	Very low	116 Å²	116	155.7 Å²	155.7	81%	0.811	79%	0.79	S	S	*	*			trans	-57.7	157.9	-173.7	47.5	0	0	0	0	115
421	A	32.3	Very low	30.2	Very low	83 Å²	83	159.5 Å²	159.5	69%	0.686	81%	0.805	S	S	*	*			trans	109.7	101.2	153.9	0	0	0	0	0	116.5
422	T	32.8	Very low	30.3	Very low	127 Å²	127	162.9 Å²	162.9	78%	0.779	82%	0.821	S	S	*	*				67.5	136.4	128.2	53.1	0	0	0	0	121.6
423	E	34.7	Very low	30.6	Very low	182 Å²	182	162.1 Å²	162.1	85%	0.85	83%	0.831	S	S	*	*			trans	83.7	94	164.2	-63.7	173.5	178.4	0	0	116.1
424	E	30.4	Very low	30.8	Very low	184 Å²	184	164.7 Å²	164.7	86%	0.86	84%	0.844	S	S	*	*				49.9	96.6	85.1	-83.4	-170.2	161.2	0	0	114.5
425	T	37.1	Very low	31.1	Very low	150 Å²	150	164.1 Å²	164.1	92%	0.92	85%	0.85	S	S	*	*				-166.8	130	118.9	-0.6	0	0	0	0	112
426	V	30.4	Very low	31.3	Very low	132 Å²	132	162.5 Å²	162.5	80%	0.8	85%	0.853	S	S	*	*			trans	-75.2	142.6	171.8	169.2	0	0	0	0	109.6
427	L	34.6	Very low	31.8	Very low	162 Å²	162	163.8 Å²	163.8	85%	0.848	86%	0.861	S	S	*	*			trans	-158.7	112.2	147.6	-103.9	162.9	0	0	0	110.7
428	Q	36.6	Very low	32.1	Very low	257 Å²	257	166.9 Å²	166.9	100%	1.201	87%	0.868	S	S	*	*			trans	41.9	0	160.4	-73.7	-178.5	-26.7	0	0	121.1

Retrieved 428 of 428 residues in 324.7 ms (Link to these results)

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