A0A3Q0KQ29_SCHMA Loading...

Nucleotide pyrophosphatase/phosphodiesterase 5

AlphaFold DB (B2D1S3), UniProt , Accession A0A3Q0KQ29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 449 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	52.8	Low	54.4	Low	194 Å²	194	106.8 Å²	106.8	96%	0.956	55%	0.554	S	S	*	*				0	-46.6	0	-105.1	179.4	75.9	0	0	113.3	I3 L4 L5	M1-I3 PolarHBondContact O-N 3.23Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L5 PolarHBondContact O-N 3.06Å
2	I	54.4	Low	54.4	Low	129 Å²	129	110.4 Å²	110.4	66%	0.662	56%	0.557	S	S	*	*	H	α-helix	trans	-64.2	-38.2	-176.4	-62.5	172.3	0	0	0	113.4	L4 L5 L6	I2-L4 PolarHBondContact O-N 3.37Å; I2-L5 WeakPolarHBondContact O-CB 3.3Å; I2-L5 PolarHBondContact O-N 3.2Å; I2-L6 HydrophobicContact CG2-CD1 4.22Å; I2-L6 PolarHBondContact O-N 3.25Å
3	I	53.3	Low	54.4	Low	75 Å²	75	108.2 Å²	108.2	39%	0.385	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-41.2	177.8	-62.7	171.4	0	0	0	112	M1 L6 I7	M1-I3 PolarHBondContact O-N 3.23Å; I3-L6 PolarHBondContact O-N 2.94Å; I3-I7 HydrophobicContact CG2-CD1 3.85Å; I3-I7 WeakPolarHBondContact O-CG1 3.49Å; I3-I7 PolarHBondContact O-N 3.37Å; I3-I7 VanDerWaalsContact O-N 3.08Å
4	L	53.5	Low	54.3	Low	127 Å²	127	109.4 Å²	109.4	67%	0.665	55%	0.548	S	S	*	.	H	α-helix	trans	-66.2	-37.6	176.4	-104.3	132.4	0	0	0	111.7	M1 I2 C8	M1-L4 PolarHBondContact O-N 3.47Å; I2-L4 PolarHBondContact O-N 3.37Å; L4-C8 WeakPolarHBondContact O-CB 3.33Å; L4-C8 PolarHBondContact O-N 3.46Å; L4-C8 PolarHBondContact O-SG 3.08Å
5	L	54.3	Low	54.1	Low	91 Å²	91	114.8 Å²	114.8	48%	0.476	56%	0.56	S	S	.	*	H	α-helix	trans	-62.4	-44.5	173.8	-84	154.8	0	0	0	111.5	M1 I2 C8 F9	M1-L5 PolarHBondContact O-N 3.06Å; I2-L5 WeakPolarHBondContact O-CB 3.3Å; I2-L5 PolarHBondContact O-N 3.2Å; L5-C8 PolarHBondContact O-N 3.01Å; L5-F9 HydrophobicContact CD2-CE2 4.26Å; L5-F9 WeakPolarHBondContact O-CB 3.25Å; L5-F9 VanDerWaalsContact O-CD2 3.3Å; L5-F9 WeakPolarHBondContact O-CD2 3.49Å; L5-F9 PolarHBondContact O-N 3.35Å
6	L	56.8	Low	53.9	Low	89 Å²	89	113.4 Å²	113.4	47%	0.466	55%	0.554	S	S	.	*	H	α-helix	trans	-66.5	-40.4	179.6	-74.9	165.3	0	0	0	113.1	I2 I3 C8 F9 F10	I2-L6 HydrophobicContact CG2-CD1 4.22Å; I2-L6 PolarHBondContact O-N 3.25Å; I3-L6 PolarHBondContact O-N 2.94Å; L6-C8 VanDerWaalsContact C-N 3.35Å; L6-F9 PolarHBondContact O-N 3.34Å; L6-F10 PolarHBondContact O-N 3.47Å
7	I	58.3	Low	53.5	Low	114 Å²	114	113.8 Å²	113.8	59%	0.585	55%	0.55	S	S	*	.	H	α-helix	trans	-67.4	-36.3	176.4	-64.4	168.5	0	0	0	111	I3 P11	I3-I7 HydrophobicContact CG2-CD1 3.85Å; I3-I7 WeakPolarHBondContact O-CG1 3.49Å; I3-I7 PolarHBondContact O-N 3.37Å; I3-I7 VanDerWaalsContact O-N 3.08Å; I7-P11 WeakPolarHBondContact O-CD 3.47Å
8	C	56.4	Low	53	Low	80 Å²	80	111.3 Å²	111.3	54%	0.541	55%	0.551	S	S	.	*	H	α-helix	trans	-74.5	-27.9	176.3	-69.3	0	0	0	0	113.5	L4 L5 L6	L4-C8 WeakPolarHBondContact O-CB 3.33Å; L4-C8 PolarHBondContact O-N 3.46Å; L4-C8 PolarHBondContact O-SG 3.08Å; L5-C8 PolarHBondContact O-N 3.01Å; L6-C8 VanDerWaalsContact C-N 3.35Å
9	F	54.4	Low	52.4	Low	117 Å²	117	110.1 Å²	110.1	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-76.6	-26	175.9	-97.6	-88	0	0	0	113.2	L5 L6 Y12 I13	L5-F9 HydrophobicContact CD2-CE2 4.26Å; L5-F9 WeakPolarHBondContact O-CB 3.25Å; L5-F9 VanDerWaalsContact O-CD2 3.3Å; L5-F9 WeakPolarHBondContact O-CD2 3.49Å; L5-F9 PolarHBondContact O-N 3.35Å; L6-F9 PolarHBondContact O-N 3.34Å; F9-Y12 PolarHBondContact O-N 2.98Å; F9-I13 WeakPolarHBondContact O-CG1 3.06Å; F9-I13 PolarHBondContact O-N 3.47Å
10	F	53.5	Low	51.9	Low	90 Å²	90	107 Å²	107	40%	0.395	55%	0.551	S	S	.	*	H	α-helix	trans	-59.7	-51.4	-177.9	-140	-94.7	0	0	0	114.3	L6 Y12 I13 E14 I437	L6-F10 PolarHBondContact O-N 3.47Å; F10-Y12 PolarHBondContact O-N 3.38Å; F10-I13 PolarHBondContact O-N 3.49Å; F10-E14 PolarHBondContact O-N 3.42Å; F10-E14 VanDerWaalsContact O-N 3.13Å; F10-I437 HydrophobicContact CE2-CD1 4.14Å
11	P	51.1	Low	51.3	Low	69 Å²	69	108 Å²	108	45%	0.448	56%	0.561	S	S	.	*	H	α-helix	trans	-71.1	-21.1	176.1	27.5	-33.3	0	0	0	112.6	I7 R15	I7-P11 WeakPolarHBondContact O-CD 3.47Å; P11-R15 VanDerWaalsContact O-CB 3.26Å; P11-R15 WeakPolarHBondContact O-CB 2.89Å; P11-R15 WeakPolarHBondContact O-CG 3.35Å; P11-R15 PolarHBondContact O-N 2.94Å
12	Y	53.6	Low	50.6	Low	150 Å²	150	105.1 Å²	105.1	59%	0.588	56%	0.555	S	S	*	*	H	α-helix	trans	-77.1	-36.2	177.7	-151.2	-101.9	0	0	0	111.7	F9 F10 R15 I16	F9-Y12 PolarHBondContact O-N 2.98Å; F10-Y12 PolarHBondContact O-N 3.38Å; Y12-R15 PolarHBondContact O-N 3.47Å; Y12-I16 HydrophobicContact CD1-CD1 3.46Å; Y12-I16 VanDerWaalsContact CD1-CD1 3.46Å; Y12-I16 HydrophobicContact CD1-CG1 4.07Å; Y12-I16 HydrophobicContact CE1-CD1 3.52Å; Y12-I16 HydrophobicContact CE1-CG1 4.09Å; Y12-I16 WeakPolarHBondContact O-CB 2.97Å; Y12-I16 VanDerWaalsContact O-CG1 3.25Å; Y12-I16 WeakPolarHBondContact O-CG1 3.38Å; Y12-I16 PolarHBondContact O-N 3.24Å
13	I	55.2	Low	49.8	Very low	82 Å²	82	100.9 Å²	100.9	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-65.2	-50	170.2	-69.7	175	0	0	0	109.4	F9 F10 R15 I16 Y17	F9-I13 WeakPolarHBondContact O-CG1 3.06Å; F9-I13 PolarHBondContact O-N 3.47Å; F10-I13 PolarHBondContact O-N 3.49Å; I13-R15 VanDerWaalsContact C-N 3.29Å; I13-R15 PolarHBondContact O-N 3.13Å; I13-I16 PolarHBondContact O-N 2.81Å; I13-Y17 HydrophobicContact CG2-CD2 3.6Å; I13-Y17 HydrophobicContact CG2-CE2 3.68Å; I13-Y17 WeakPolarHBondContact O-CB 3.33Å; I13-Y17 WeakPolarHBondContact O-CD2 3.46Å; I13-Y17 PolarHBondContact O-N 2.82Å
14	E	53.2	Low	49.2	Very low	124 Å²	124	106.7 Å²	106.7	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-57.8	-40.1	175.2	-77	-168.7	168.9	0	0	112.4	F10 Y17 A18	F10-E14 PolarHBondContact O-N 3.42Å; F10-E14 VanDerWaalsContact O-N 3.13Å; E14-Y17 PolarHBondContact O-N 3.46Å; E14-A18 WeakPolarHBondContact O-CB 3.42Å; E14-A18 PolarHBondContact O-N 2.94Å
15	R	50.5	Low	48.9	Very low	191 Å²	191	108.1 Å²	108.1	72%	0.721	57%	0.569	S	S	*	*	H	α-helix	trans	-70.7	-40	176.2	-85.5	-172.8	173.7	-161.1	-0.7	113.8	P11 Y12 I13 Y17 A18 S19	P11-R15 VanDerWaalsContact O-CB 3.26Å; P11-R15 WeakPolarHBondContact O-CB 2.89Å; P11-R15 WeakPolarHBondContact O-CG 3.35Å; P11-R15 PolarHBondContact O-N 2.94Å; Y12-R15 PolarHBondContact O-N 3.47Å; I13-R15 VanDerWaalsContact C-N 3.29Å; I13-R15 PolarHBondContact O-N 3.13Å; R15-Y17 VanDerWaalsContact C-N 3.27Å; R15-Y17 PolarHBondContact O-N 3.21Å; R15-A18 PolarHBondContact O-N 3.04Å; R15-S19 WeakPolarHBondContact O-CA 3.25Å; R15-S19 WeakPolarHBondContact O-CB 3.41Å; R15-S19 PolarHBondContact O-N 3.2Å; R15-S19 PolarHBondContact O-OG 3.36Å
16	I	50.9	Low	49.3	Very low	92 Å²	92	109.7 Å²	109.7	47%	0.472	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-41.3	174.8	-72.3	169.4	0	0	0	109.3	Y12 I13 S19 G20	Y12-I16 HydrophobicContact CD1-CD1 3.46Å; Y12-I16 VanDerWaalsContact CD1-CD1 3.46Å; Y12-I16 HydrophobicContact CD1-CG1 4.07Å; Y12-I16 HydrophobicContact CE1-CD1 3.52Å; Y12-I16 HydrophobicContact CE1-CG1 4.09Å; Y12-I16 WeakPolarHBondContact O-CB 2.97Å; Y12-I16 VanDerWaalsContact O-CG1 3.25Å; Y12-I16 WeakPolarHBondContact O-CG1 3.38Å; Y12-I16 PolarHBondContact O-N 3.24Å; I13-I16 PolarHBondContact O-N 2.81Å; I16-S19 WeakPolarHBondContact CA-OG 3.43Å; I16-S19 PolarHBondContact O-OG 3.27Å; I16-G20 PolarHBondContact O-N 2.99Å; I16-G20 VanDerWaalsContact O-N 3.15Å
17	Y	47.6	Very low	50.5	Low	121 Å²	121	111.2 Å²	111.2	48%	0.475	58%	0.577	S	S	.	*	H	α-helix	trans	-72.7	-36.4	177.3	-78.3	-73.6	0	0	0	113.3	I13 E14 R15 G20	I13-Y17 HydrophobicContact CG2-CD2 3.6Å; I13-Y17 HydrophobicContact CG2-CE2 3.68Å; I13-Y17 WeakPolarHBondContact O-CB 3.33Å; I13-Y17 WeakPolarHBondContact O-CD2 3.46Å; I13-Y17 PolarHBondContact O-N 2.82Å; E14-Y17 PolarHBondContact O-N 3.46Å; R15-Y17 VanDerWaalsContact C-N 3.27Å; R15-Y17 PolarHBondContact O-N 3.21Å; Y17-G20 PolarHBondContact O-N 2.88Å
18	A	45.3	Very low	52.2	Low	69 Å²	69	106.9 Å²	106.9	57%	0.57	56%	0.556	S	S	*	*	H	α-helix	trans	-74	-26.7	174.2	0	0	0	0	0	112.9	E14 R15 G20	E14-A18 WeakPolarHBondContact O-CB 3.42Å; E14-A18 PolarHBondContact O-N 2.94Å; R15-A18 PolarHBondContact O-N 3.04Å; A18-G20 VanDerWaalsContact C-N 3.3Å
19	S	41.3	Very low	54.1	Low	88 Å²	88	103.9 Å²	103.9	62%	0.615	53%	0.534	S	S	*	.	S	Bend	trans	-81.7	-10.4	174	73.4	0	0	0	0	113.2	R15 I16 V21	R15-S19 WeakPolarHBondContact O-CA 3.25Å; R15-S19 WeakPolarHBondContact O-CB 3.41Å; R15-S19 PolarHBondContact O-N 3.2Å; R15-S19 PolarHBondContact O-OG 3.36Å; I16-S19 WeakPolarHBondContact CA-OG 3.43Å; I16-S19 PolarHBondContact O-OG 3.27Å; S19-V21 PolarHBondContact O-N 3.43Å
20	G	41.2	Very low	56.3	Low	47 Å²	47	98.3 Å²	98.3	49%	0.485	51%	0.51	S	S	.	.	S	Bend	trans	-68.6	80.4	167.9	0	0	0	0	0	108.7	I16 Y17 A18 V22	I16-G20 PolarHBondContact O-N 2.99Å; I16-G20 VanDerWaalsContact O-N 3.15Å; Y17-G20 PolarHBondContact O-N 2.88Å; A18-G20 VanDerWaalsContact C-N 3.3Å; G20-V22 PolarHBondContact O-N 3.13Å
21	V	40	Very low	58.4	Low	128 Å²	128	94 Å²	94	78%	0.776	49%	0.491	S	S	*	.			trans	33.7	89.7	164.8	-174.7	0	0	0	0	111.5	S19 G23	S19-V21 PolarHBondContact O-N 3.43Å; V21-G23 PolarHBondContact O-N 3.44Å
22	V	37.5	Very low	60.7	Low	134 Å²	134	90.7 Å²	90.7	81%	0.812	47%	0.469	S	S	*	.			trans	-63.4	69.2	151.4	-174	0	0	0	0	106.3	G20	G20-V22 PolarHBondContact O-N 3.13Å
23	G	38.6	Very low	62.8	Low	40 Å²	40	83.6 Å²	83.6	41%	0.412	44%	0.442	S	S	.	.			trans	-56.9	138.4	155.1	0	0	0	0	0	104.2	V21 E25	V21-G23 PolarHBondContact O-N 3.44Å; G23-E25 PolarHBondContact O-N 2.86Å
24	K	39.6	Very low	64.9	Low	197 Å²	197	79.7 Å²	79.7	86%	0.857	42%	0.422	S	S	*	.			trans	-36.8	118.8	167	-85.5	179.2	169.5	-179.7	0	107.1	Q26	K24-Q26 PolarHBondContact O-N 2.87Å
25	E	47.6	Very low	67.1	Low	158 Å²	158	73.8 Å²	73.8	74%	0.738	39%	0.394	S	S	*	.			trans	-56.9	96.8	173.8	-122.9	176.9	-177.9	0	0	105.5	G23 F27	G23-E25 PolarHBondContact O-N 2.86Å; E25-F27 HydrophobicContact CB-CE2 4.38Å; E25-F27 HydrophobicContact CB-CZ 4.17Å; E25-F27 WeakPolarHBondContact O-CD2 3.41Å; E25-F27 WeakPolarHBondContact O-CE2 3.19Å; E25-F27 PolarHBondContact O-N 3.33Å; E25-F27 VanDerWaalsContact O-N 3.16Å
26	Q	63.1	Low	69.4	Low	123 Å²	123	65 Å²	65	58%	0.575	36%	0.361	S	S	*	.			trans	-90.6	90.9	-172.3	-179	151	44.6	0	0	105	K24 S28 C237 C238	K24-Q26 PolarHBondContact O-N 2.87Å; Q26-S28 PolarHBondContact O-N 3.23Å; Q26-C237 PolarHBondContact NE2-SG 2.77Å; Q26-C238 HydrophobicContact CG-CB 3.65Å
27	F	81.8	Confident	71.6	Confident	122 Å²	122	60.6 Å²	60.6	54%	0.535	34%	0.339	S	S	.	.			trans	-55.4	128.8	-176.4	-62.9	-77.5	0	0	0	110.1	E25 C238	E25-F27 HydrophobicContact CB-CE2 4.38Å; E25-F27 HydrophobicContact CB-CZ 4.17Å; E25-F27 WeakPolarHBondContact O-CD2 3.41Å; E25-F27 WeakPolarHBondContact O-CE2 3.19Å; E25-F27 PolarHBondContact O-N 3.33Å; E25-F27 VanDerWaalsContact O-N 3.16Å; F27-C238 PolarHBondContact O-SG 3.17Å; F27-C238 VanDerWaalsContact O-SG 3.41Å
28	S	93.7	Very high	74.1	Confident	22 Å²	22	54.8 Å²	54.8	15%	0.154	32%	0.316	C	S	.	.			trans	-58.7	140.3	173.2	-179.2	0	0	0	0	109.7	Q26 N240 Q372 M397 L398	Q26-S28 PolarHBondContact O-N 3.23Å; S28-N240 PolarHBondContact OG-ND2 3.39Å; S28-Q372 VanDerWaalsContact CB-OE1 3.29Å; S28-Q372 PolarHBondContact OG-OE1 2.54Å; S28-M397 WeakPolarHBondContact CB-O 3.45Å; S28-M397 PolarHBondContact OG-O 2.8Å; S28-M397 VanDerWaalsContact OG-O 3.1Å; S28-L398 VanDerWaalsContact O-CD2 3.28Å; S28-L398 WeakPolarHBondContact O-CD2 3.35Å
29	K	97.6	Very high	76.6	Confident	17 Å²	17	52.6 Å²	52.6	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.9	172.8	-63.6	179.3	177.6	-97.4	0	108.5	F182 I187 N188 L235 C238 L239 N240	K29-F182 HydrophobicContact CB-CE1 3.96Å; K29-F182 HydrophobicContact CD-CD1 3.88Å; K29-F182 HydrophobicContact CD-CE1 4.03Å; K29-F182 HydrophobicContact CG-CE1 4.2Å; K29-I187 PolarHBondContact NZ-O 2.87Å; K29-N188 CarbonylContact C-O 3.33Å; K29-N188 WeakPolarHBondContact CA-O 3.37Å; K29-N188 HydrophobicContact CG-CB 4.47Å; K29-L235 HydrophobicContact CD-CD2 3.47Å; K29-L235 VanDerWaalsContact CD-CD2 3.47Å; K29-C238 PolarHBondContact N-O 2.98Å; K29-L239 HydrophobicContact CB-CB 4.32Å; K29-L239 HydrophobicContact CB-CD1 3.55Å; K29-L239 CarbonylContact O-C 3.57Å; K29-L239 WeakPolarHBondContact O-CA 3.37Å; K29-N240 PolarHBondContact O-N 2.77Å; K29-N240 PolarHBondContact O-ND2 3.37Å
30	V	98.6	Very high	79.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.8	176.9	175.4	0	0	0	0	110	N188 L189 G190 N240 I242 I394 M397 L398	V30-N188 PolarHBondContact N-O 3.38Å; V30-L189 HydrophobicContact CB-CD1 4.07Å; V30-L189 HydrophobicContact CG1-CD1 4.15Å; V30-L189 WeakPolarHBondContact O-CA 3.34Å; V30-G190 PolarHBondContact O-N 3.11Å; V30-N240 CarbonylContact C-O 3.58Å; V30-N240 VanDerWaalsContact CA-O 3.3Å; V30-N240 WeakPolarHBondContact CA-O 3.32Å; V30-N240 HydrophobicContact CG2-CB 4.42Å; V30-I242 HydrophobicContact CG1-CD1 4.12Å; V30-I394 HydrophobicContact CG1-CG1 4.22Å; V30-I394 HydrophobicContact CG1-CG2 4.3Å; V30-M397 HydrophobicContact CG2-CB 3.76Å; V30-M397 HydrophobicContact CG2-CG 4.43Å; V30-M397 HydrophobicContact CG2-SD 3.74Å; V30-L398 HydrophobicContact CB-CD2 4.27Å; V30-L398 HydrophobicContact CB-CG 4.44Å; V30-L398 HydrophobicContact CG2-CD1 4.4Å; V30-L398 HydrophobicContact CG2-CD2 3.7Å; V30-L398 HydrophobicContact CG2-CG 3.84Å
31	I	98.8	Very high	81.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.8	159.3	-75.2	171	0	0	0	108.3	I33 M179 F182 G190 L225 L239 N240 L241 I242	I31-I33 HydrophobicContact CG2-CD1 4.09Å; I31-I33 HydrophobicContact CG2-CG1 3.72Å; I31-M179 HydrophobicContact CD1-CE 3.6Å; I31-F182 HydrophobicContact CD1-CD2 4.22Å; I31-F182 HydrophobicContact CD1-CE2 3.62Å; I31-F182 HydrophobicContact CD1-CZ 4.28Å; I31-F182 HydrophobicContact CG1-CD2 4.44Å; I31-F182 HydrophobicContact CG1-CE2 3.39Å; I31-F182 HydrophobicContact CG1-CZ 3.7Å; I31-G190 CarbonylContact C-O 3.58Å; I31-G190 VanDerWaalsContact CA-O 3.28Å; I31-G190 WeakPolarHBondContact CA-O 3.49Å; I31-L225 HydrophobicContact CD1-CD1 4.44Å; I31-L239 HydrophobicContact CB-CD1 4.47Å; I31-L239 HydrophobicContact CD1-CD1 4.18Å; I31-L239 HydrophobicContact CD1-CD2 3.85Å; I31-L239 HydrophobicContact CG1-CD1 3.95Å; I31-L239 HydrophobicContact CG1-CD2 4.47Å; I31-N240 PolarHBondContact N-O 2.86Å; I31-L241 HydrophobicContact CB-CD1 3.99Å; I31-L241 HydrophobicContact CG2-CD1 3.64Å; I31-I242 PolarHBondContact O-N 3.09Å
32	L	98.9	Very high	84.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.7	167.9	174.9	67.1	0	0	0	109.6	I84 W146 G190 L191 M192 I242 T244 I390 I394	L32-I84 HydrophobicContact CD2-CG2 3.61Å; L32-W146 HydrophobicContact CD2-CH2 3.34Å; L32-W146 HydrophobicContact CD2-CZ2 3.96Å; L32-W146 HydrophobicContact CD2-CZ3 3.95Å; L32-W146 HydrophobicContact CG-CH2 3.75Å; L32-W146 HydrophobicContact CG-CZ3 4.05Å; L32-G190 PolarHBondContact N-O 3.25Å; L32-L191 HydrophobicContact CB-CD2 3.64Å; L32-L191 HydrophobicContact CD2-CD2 3.93Å; L32-L191 HydrophobicContact CG-CD2 4.34Å; L32-L191 CarbonylContact O-C 3.58Å; L32-L191 WeakPolarHBondContact O-CA 3.35Å; L32-M192 PolarHBondContact O-N 2.87Å; L32-I242 CarbonylContact C-O 3.49Å; L32-I242 WeakPolarHBondContact CA-O 3.44Å; L32-I242 HydrophobicContact CD1-CB 3.81Å; L32-I242 HydrophobicContact CD1-CG2 3.56Å; L32-T244 HydrophobicContact CD1-CG2 4.1Å; L32-I390 HydrophobicContact CD1-CG2 4Å; L32-I390 HydrophobicContact CD2-CG2 4.3Å; L32-I394 HydrophobicContact CB-CD1 4.36Å; L32-I394 HydrophobicContact CD2-CD1 3.91Å
33	I	98.9	Very high	87.4	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.9	174.1	-57.5	177	0	0	0	109.1	I31 L35 F171 M192 L222 L225 L241 I242 I243 T244	I31-I33 HydrophobicContact CG2-CD1 4.09Å; I31-I33 HydrophobicContact CG2-CG1 3.72Å; I33-L35 HydrophobicContact CG2-CD2 3.85Å; I33-L35 HydrophobicContact CG2-CG 4.35Å; I33-F171 HydrophobicContact CG2-CZ 4.27Å; I33-M192 CarbonylContact C-O 3.47Å; I33-M192 VanDerWaalsContact CA-O 3.28Å; I33-M192 WeakPolarHBondContact CA-O 3.49Å; I33-M192 HydrophobicContact CB-CE 4.42Å; I33-M192 HydrophobicContact CD1-CE 3.64Å; I33-M192 HydrophobicContact CG1-CB 4.31Å; I33-M192 HydrophobicContact CG1-CE 3.88Å; I33-M192 HydrophobicContact CG2-CE 3.71Å; I33-L222 HydrophobicContact CD1-CD2 4.3Å; I33-L225 HydrophobicContact CD1-CD2 3.34Å; I33-L241 HydrophobicContact CD1-CD1 3.95Å; I33-L241 HydrophobicContact CG1-CD1 4.3Å; I33-I242 PolarHBondContact N-O 2.86Å; I33-I243 HydrophobicContact CB-CG1 4.2Å; I33-I243 HydrophobicContact CD1-CG1 4.44Å; I33-I243 WeakPolarHBondContact O-CA 3.36Å; I33-T244 PolarHBondContact O-N 2.94Å
34	S	98.7	Very high	90.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.7	165.8	-171.3	0	0	0	0	110.4	H81 M192 Y194 T244	S34-H81 WeakPolarHBondContact CB-NE2 3.22Å; S34-H81 PolarHBondContact OG-CD2 3.48Å; S34-H81 PolarHBondContact OG-NE2 2.94Å; S34-M192 PolarHBondContact N-O 3.09Å; S34-Y194 PolarHBondContact O-N 3.36Å; S34-T244 WeakPolarHBondContact CA-O 3.48Å
35	L	98.8	Very high	93	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109	171.4	-54.6	176.2	0	0	0	108.3	I33 G37 F38 F56 F171 I218 I243 T244 S245 F365	I33-L35 HydrophobicContact CG2-CD2 3.85Å; I33-L35 HydrophobicContact CG2-CG 4.35Å; L35-G37 PolarHBondContact O-N 3.15Å; L35-F38 HydrophobicContact CB-CB 3.82Å; L35-F38 HydrophobicContact CB-CD2 4.1Å; L35-F38 HydrophobicContact CB-CG 4.37Å; L35-F38 HydrophobicContact CD1-CD2 3.66Å; L35-F38 HydrophobicContact CD1-CE2 4.1Å; L35-F38 HydrophobicContact CD1-CG 4.36Å; L35-F38 PolarHBondContact O-N 2.92Å; L35-F56 HydrophobicContact CD1-CE1 4.08Å; L35-F56 HydrophobicContact CD1-CZ 4.08Å; L35-F171 HydrophobicContact CD2-CE2 3.67Å; L35-F171 HydrophobicContact CD2-CZ 4.19Å; L35-I218 HydrophobicContact CD1-CG2 3.79Å; L35-I218 HydrophobicContact CD2-CD1 4.33Å; L35-I218 HydrophobicContact CD2-CG1 4.48Å; L35-I218 HydrophobicContact CD2-CG2 3.8Å; L35-I218 HydrophobicContact CG-CG2 4.46Å; L35-I243 HydrophobicContact CD1-CG2 3.87Å; L35-I243 HydrophobicContact CG-CG2 4.15Å; L35-T244 PolarHBondContact N-O 3.27Å; L35-S245 WeakPolarHBondContact O-CA 3.13Å; L35-S245 WeakPolarHBondContact O-CB 3.39Å; L35-F365 HydrophobicContact CD1-CZ 4.22Å
36	D	98.7	Very high	95.4	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.027	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	128.5	-174.2	-161.3	-21.7	0	0	0	111.4	F38 T77 Y193 Y194 Q196 P197 D198 D246 H247	D36-F38 PolarHBondContact O-N 3.47Å; D36-T77 WeakPolarHBondContact OD2-CG2 3.47Å; D36-Y193 HydrophobicContact CB-CE2 3.72Å; D36-Y193 WeakPolarHBondContact OD2-CE2 3.16Å; D36-Y193 PolarHBondContact OD2-OH 2.93Å; D36-Y194 WeakPolarHBondContact CB-O 3.24Å; D36-Y194 PolarHBondContact N-O 2.96Å; D36-Q196 PolarHBondContact N-O 2.79Å; D36-Q196 CarbonylContact O-C 3.54Å; D36-P197 VanDerWaalsContact O-CD 3.24Å; D36-P197 WeakPolarHBondContact O-CD 3.31Å; D36-P197 VanDerWaalsContact O-N 3.15Å; D36-D198 HydrophobicContact CB-CB 3.75Å; D36-D198 VanDerWaalsContact CG-CB 3.49Å; D36-D198 WeakPolarHBondContact O-CB 3.07Å; D36-D198 PolarHBondContact O-N 2.99Å; D36-D198 WeakPolarHBondContact OD1-CB 3.31Å; D36-D246 WeakPolarHBondContact CA-OD1 3.42Å; D36-D246 VanDerWaalsContact OD1-OD2 3.13Å; D36-H247 IonicContact OD1-CE1 3.01Å; D36-H247 PolarHBondContact OD1-CE1 3.11Å; D36-H247 IonicContact OD1-NE2 3.79Å; D36-H247 PolarHBondContact OD1-NE2 2.7Å
37	G	98.4	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	14	174.4	0	0	0	0	0	115	L35 R39 Y42 D246 H247	L35-G37 PolarHBondContact O-N 3.15Å; G37-R39 PolarHBondContact O-N 3.25Å; G37-Y42 WeakPolarHBondContact O-CE2 3.31Å; G37-D246 PolarHBondContact N-OD1 3.47Å; G37-H247 CarbonylContact C-O 3.56Å; G37-H247 WeakPolarHBondContact CA-O 3.49Å
38	F	98.6	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.			trans	-72	94.4	176.9	-161.7	-56.6	0	0	0	109.7	L35 D36 Y42 F43 M53 F56 P197 I215 I218 S245 F365	L35-F38 HydrophobicContact CB-CB 3.82Å; L35-F38 HydrophobicContact CB-CD2 4.1Å; L35-F38 HydrophobicContact CB-CG 4.37Å; L35-F38 HydrophobicContact CD1-CD2 3.66Å; L35-F38 HydrophobicContact CD1-CE2 4.1Å; L35-F38 HydrophobicContact CD1-CG 4.36Å; L35-F38 PolarHBondContact O-N 2.92Å; D36-F38 PolarHBondContact O-N 3.47Å; F38-Y42 AromaticContact CD1-CD2 3.97Å; F38-Y42 HydrophobicContact CD1-CD2 3.97Å; F38-Y42 HydrophobicContact CD1-CG 4.5Å; F38-Y42 HydrophobicContact CE1-CD2 4.29Å; F38-Y42 HydrophobicContact CE1-CG 4.47Å; F38-Y42 HydrophobicContact CG-CD2 4.28Å; F38-F43 HydrophobicContact CD1-CE2 4.14Å; F38-F43 HydrophobicContact CD1-CZ 4.49Å; F38-F43 AromaticContact CE1-CD2 3.9Å; F38-F43 HydrophobicContact CE1-CD2 3.9Å; F38-F43 HydrophobicContact CE1-CE1 4.31Å; F38-F43 AromaticContact CE1-CE2 3.42Å; F38-F43 HydrophobicContact CE1-CE2 3.42Å; F38-F43 VanDerWaalsContact CE1-CE2 3.42Å; F38-F43 AromaticContact CE1-CZ 3.62Å; F38-F43 HydrophobicContact CE1-CZ 3.62Å; F38-F43 HydrophobicContact CZ-CE1 4.16Å; F38-F43 HydrophobicContact CZ-CE2 4.08Å; F38-F43 AromaticContact CZ-CZ 3.8Å; F38-F43 HydrophobicContact CZ-CZ 3.8Å; F38-M53 HydrophobicContact CZ-CE 4.37Å; F38-F56 HydrophobicContact CE2-CE1 4.31Å; F38-F56 HydrophobicContact CE2-CE2 4.41Å; F38-F56 AromaticContact CE2-CZ 3.71Å; F38-F56 HydrophobicContact CE2-CZ 3.71Å; F38-F56 HydrophobicContact CZ-CE1 4.43Å; F38-F56 HydrophobicContact CZ-CZ 4.06Å; F38-P197 HydrophobicContact CB-CG 4.24Å; F38-P197 HydrophobicContact CD2-CG 4.2Å; F38-P197 HydrophobicContact CG-CG 4.36Å; F38-I215 HydrophobicContact CD2-CG1 4.43Å; F38-I215 HydrophobicContact CE2-CB 4.49Å; F38-I215 HydrophobicContact CE2-CD1 4.49Å; F38-I215 HydrophobicContact CE2-CG1 3.84Å; F38-I215 HydrophobicContact CE2-CG2 4.14Å; F38-I215 HydrophobicContact CZ-CD1 4.41Å; F38-I215 HydrophobicContact CZ-CG1 4.19Å; F38-I215 HydrophobicContact CZ-CG2 4.16Å; F38-I218 HydrophobicContact CD2-CD1 4.36Å; F38-S245 VanDerWaalsContact O-CB 3.3Å; F38-S245 WeakPolarHBondContact O-CB 3.49Å; F38-S245 PolarHBondContact O-OG 3.05Å; F38-F365 HydrophobicContact CB-CE1 3.91Å; F38-F365 AromaticContact CD1-CD1 3.83Å; F38-F365 HydrophobicContact CD1-CD1 3.83Å; F38-F365 AromaticContact CD1-CE1 3.46Å; F38-F365 HydrophobicContact CD1-CE1 3.46Å; F38-F365 VanDerWaalsContact CD1-CE1 3.46Å; F38-F365 HydrophobicContact CD1-CZ 4.46Å; F38-F365 HydrophobicContact CD2-CE1 4.46Å; F38-F365 HydrophobicContact CE1-CD1 4.44Å; F38-F365 HydrophobicContact CE1-CE1 4.09Å; F38-F365 HydrophobicContact CG-CD1 4.43Å; F38-F365 AromaticContact CG-CE1 3.7Å; F38-F365 HydrophobicContact CG-CE1 3.7Å
39	R	98.1	Very high	97.9	Very high	22 Å²	22	26 Å²	26	8%	0.083	12%	0.117	C	C	.	.			trans	-67.1	145.3	-176.5	-164.1	171.4	80	170.3	12	112.4	G37 D41 Y42 M45 M249 E361	G37-R39 PolarHBondContact O-N 3.25Å; R39-D41 IonicContact CZ-OD1 2.88Å; R39-D41 IonicContact CZ-OD2 2.75Å; R39-D41 IonicContact NE-OD1 3.83Å; R39-D41 PolarHBondContact NE-OD1 3.41Å; R39-D41 IonicContact NE-OD2 2.86Å; R39-D41 IonicContact NH2-OD1 3.77Å; R39-D41 PolarHBondContact NH2-OD1 2.82Å; R39-D41 VanDerWaalsContact NH2-OD1 3.11Å; R39-D41 IonicContact NH2-OD2 3.08Å; R39-D41 PolarHBondContact NH2-OD2 3.4Å; R39-D41 PolarHBondContact O-N 2.75Å; R39-Y42 HydrophobicContact CB-CD1 3.96Å; R39-Y42 HydrophobicContact CB-CD2 3.93Å; R39-Y42 HydrophobicContact CB-CE1 3.73Å; R39-Y42 HydrophobicContact CB-CE2 3.69Å; R39-Y42 HydrophobicContact CB-CG 4.05Å; R39-Y42 VanDerWaalsContact N-CD2 3.3Å; R39-Y42 VanDerWaalsContact N-CE2 3.34Å; R39-Y42 WeakPolarHBondContact O-CB 3.16Å; R39-Y42 PolarHBondContact O-N 2.82Å; R39-M45 VanDerWaalsContact NH2-CE 3.26Å; R39-M249 WeakPolarHBondContact CD-O 3.23Å; R39-M249 PolarHBondContact NH1-O 3.48Å; R39-E361 WeakPolarHBondContact CD-O 3.2Å; R39-E361 WeakPolarHBondContact CG-O 3.26Å
40	Y	96.7	Very high	97.8	Very high	27 Å²	27	32.4 Å²	32.4	11%	0.106	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-33.7	-174.5	83.2	-75	0	0	0	116.4	R67 R68 K360 S363	Y40-R67 WeakPolarHBondContact CB-O 3.25Å; Y40-R67 HydrophobicContact CD2-CG 4.23Å; Y40-R67 VanDerWaalsContact CE2-NH1 3.35Å; Y40-R68 HydrophobicContact CD2-CB 4.38Å; Y40-R68 HydrophobicContact CD2-CG 4.43Å; Y40-R68 HydrophobicContact CG-CG 4.41Å; Y40-K360 WeakPolarHBondContact CD1-O 3.37Å; Y40-K360 HydrophobicContact CE1-CB 3.99Å; Y40-K360 WeakPolarHBondContact CE1-O 3.36Å; Y40-S363 WeakPolarHBondContact CB-O 3.37Å; Y40-S363 PolarHBondContact N-O 3.3Å
41	D	97.2	Very high	97.8	Very high	18 Å²	18	34.1 Å²	34.1	10%	0.096	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	0.8	-175.1	65	-12.3	0	0	0	113.9	R39 F43 D44 M45	R39-D41 IonicContact CZ-OD1 2.88Å; R39-D41 IonicContact CZ-OD2 2.75Å; R39-D41 IonicContact NE-OD1 3.83Å; R39-D41 PolarHBondContact NE-OD1 3.41Å; R39-D41 IonicContact NE-OD2 2.86Å; R39-D41 IonicContact NH2-OD1 3.77Å; R39-D41 PolarHBondContact NH2-OD1 2.82Å; R39-D41 VanDerWaalsContact NH2-OD1 3.11Å; R39-D41 IonicContact NH2-OD2 3.08Å; R39-D41 PolarHBondContact NH2-OD2 3.4Å; R39-D41 PolarHBondContact O-N 2.75Å; D41-F43 PolarHBondContact O-N 3.31Å; D41-D44 PolarHBondContact O-N 3.39Å; D41-M45 PolarHBondContact O-N 2.8Å; D41-M45 VanDerWaalsContact OD2-CE 3.27Å; D41-M45 WeakPolarHBondContact OD2-CE 3.46Å
42	Y	98.4	Very high	97.8	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-27.4	176.2	-74.8	-10.7	0	0	0	112.7	G37 F38 R39 M45 A46 P197 A206 V211 I215	G37-Y42 WeakPolarHBondContact O-CE2 3.31Å; F38-Y42 AromaticContact CD1-CD2 3.97Å; F38-Y42 HydrophobicContact CD1-CD2 3.97Å; F38-Y42 HydrophobicContact CD1-CG 4.5Å; F38-Y42 HydrophobicContact CE1-CD2 4.29Å; F38-Y42 HydrophobicContact CE1-CG 4.47Å; F38-Y42 HydrophobicContact CG-CD2 4.28Å; R39-Y42 HydrophobicContact CB-CD1 3.96Å; R39-Y42 HydrophobicContact CB-CD2 3.93Å; R39-Y42 HydrophobicContact CB-CE1 3.73Å; R39-Y42 HydrophobicContact CB-CE2 3.69Å; R39-Y42 HydrophobicContact CB-CG 4.05Å; R39-Y42 VanDerWaalsContact N-CD2 3.3Å; R39-Y42 VanDerWaalsContact N-CE2 3.34Å; R39-Y42 WeakPolarHBondContact O-CB 3.16Å; R39-Y42 PolarHBondContact O-N 2.82Å; Y42-M45 HydrophobicContact CD1-SD 4.37Å; Y42-M45 PolarHBondContact O-N 3.37Å; Y42-A46 WeakPolarHBondContact O-CB 3.22Å; Y42-A46 PolarHBondContact O-N 2.86Å; Y42-P197 HydrophobicContact CD2-CG 3.99Å; Y42-P197 HydrophobicContact CE2-CG 3.72Å; Y42-A206 WeakPolarHBondContact CE1-O 3.24Å; Y42-A206 PolarHBondContact OH-O 3.23Å; Y42-V211 HydrophobicContact CD2-CG1 4.29Å; Y42-V211 HydrophobicContact CE1-CG1 4.28Å; Y42-V211 HydrophobicContact CE2-CG1 3.88Å; Y42-I215 HydrophobicContact CD2-CD1 3.86Å; Y42-I215 HydrophobicContact CG-CD1 3.95Å
43	F	95.5	Very high	97.7	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-48	170.3	-69	-78.3	0	0	0	112.2	F38 D41 A46 K47 M53 F56 Y65 F365 M367	F38-F43 HydrophobicContact CD1-CE2 4.14Å; F38-F43 HydrophobicContact CD1-CZ 4.49Å; F38-F43 AromaticContact CE1-CD2 3.9Å; F38-F43 HydrophobicContact CE1-CD2 3.9Å; F38-F43 HydrophobicContact CE1-CE1 4.31Å; F38-F43 AromaticContact CE1-CE2 3.42Å; F38-F43 HydrophobicContact CE1-CE2 3.42Å; F38-F43 VanDerWaalsContact CE1-CE2 3.42Å; F38-F43 AromaticContact CE1-CZ 3.62Å; F38-F43 HydrophobicContact CE1-CZ 3.62Å; F38-F43 HydrophobicContact CZ-CE1 4.16Å; F38-F43 HydrophobicContact CZ-CE2 4.08Å; F38-F43 AromaticContact CZ-CZ 3.8Å; F38-F43 HydrophobicContact CZ-CZ 3.8Å; D41-F43 PolarHBondContact O-N 3.31Å; F43-A46 PolarHBondContact O-N 3.48Å; F43-K47 WeakPolarHBondContact O-CG 3.29Å; F43-K47 PolarHBondContact O-N 2.81Å; F43-M53 HydrophobicContact CD1-CE 3.54Å; F43-M53 HydrophobicContact CE1-CE 3.71Å; F43-M53 HydrophobicContact CG-CE 4.5Å; F43-F56 HydrophobicContact CE1-CB 3.9Å; F43-F56 AromaticContact CE1-CD1 3.49Å; F43-F56 HydrophobicContact CE1-CD1 3.49Å; F43-F56 VanDerWaalsContact CE1-CD1 3.49Å; F43-F56 HydrophobicContact CE1-CD2 4.42Å; F43-F56 AromaticContact CE1-CE1 3.96Å; F43-F56 HydrophobicContact CE1-CE1 3.96Å; F43-F56 AromaticContact CE1-CG 3.71Å; F43-F56 HydrophobicContact CE1-CG 3.71Å; F43-F56 AromaticContact CZ-CD1 3.87Å; F43-F56 HydrophobicContact CZ-CD1 3.87Å; F43-F56 AromaticContact CZ-CE1 3.98Å; F43-F56 HydrophobicContact CZ-CE1 3.98Å; F43-Y65 HydrophobicContact CD2-CE2 4.2Å; F43-Y65 WeakPolarHBondContact CD2-OH 3.4Å; F43-Y65 HydrophobicContact CE2-CE2 4.11Å; F43-F365 HydrophobicContact CE2-CB 4.37Å; F43-F365 AromaticContact CE2-CD1 3.79Å; F43-F365 HydrophobicContact CE2-CD1 3.79Å; F43-F365 AromaticContact CE2-CD2 3.91Å; F43-F365 HydrophobicContact CE2-CD2 3.91Å; F43-F365 HydrophobicContact CE2-CE1 4.01Å; F43-F365 HydrophobicContact CE2-CE2 4.18Å; F43-F365 AromaticContact CE2-CG 3.73Å; F43-F365 HydrophobicContact CE2-CG 3.73Å; F43-F365 HydrophobicContact CE2-CZ 4.21Å; F43-F365 HydrophobicContact CZ-CD1 4.42Å; F43-F365 HydrophobicContact CZ-CD2 4.19Å; F43-F365 HydrophobicContact CZ-CE1 4.22Å; F43-F365 HydrophobicContact CZ-CE2 4.04Å; F43-F365 HydrophobicContact CZ-CG 4.4Å; F43-F365 HydrophobicContact CZ-CZ 4.03Å; F43-M367 HydrophobicContact CE1-CE 3.64Å; F43-M367 HydrophobicContact CE2-CE 4.07Å; F43-M367 HydrophobicContact CZ-CE 3.19Å
44	D	95.9	Very high	97.7	Very high	59 Å²	59	39.7 Å²	39.7	32%	0.316	19%	0.194	S	C	.	.	H	α-helix	trans	-68.3	-42.7	-178.3	-60.8	-38.6	0	0	0	110.4	D41 K47 Q48 R67	D41-D44 PolarHBondContact O-N 3.39Å; D44-K47 PolarHBondContact O-N 3.47Å; D44-Q48 VanDerWaalsContact O-CG 3.25Å; D44-Q48 WeakPolarHBondContact O-CG 3.26Å; D44-Q48 PolarHBondContact O-N 3.47Å; D44-R67 IonicContact OD2-CZ 3.81Å; D44-R67 VanDerWaalsContact OD2-CZ 3.3Å; D44-R67 IonicContact OD2-NE 3.87Å; D44-R67 PolarHBondContact OD2-NE 3.25Å; D44-R67 VanDerWaalsContact OD2-NE 3.09Å; D44-R67 IonicContact OD2-NH2 2.73Å; D44-R67 PolarHBondContact OD2-NH2 2.87Å
45	M	98.1	Very high	97.7	Very high	45 Å²	45	39.8 Å²	39.8	22%	0.222	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-39.8	178	-65.9	-174.7	174.6	0	0	112.4	R39 D41 Y42 Q48 R49 A207 F212	R39-M45 VanDerWaalsContact NH2-CE 3.26Å; D41-M45 PolarHBondContact O-N 2.8Å; D41-M45 VanDerWaalsContact OD2-CE 3.27Å; D41-M45 WeakPolarHBondContact OD2-CE 3.46Å; Y42-M45 HydrophobicContact CD1-SD 4.37Å; Y42-M45 PolarHBondContact O-N 3.37Å; M45-Q48 PolarHBondContact O-N 2.86Å; M45-R49 WeakPolarHBondContact O-CB 3.27Å; M45-R49 VanDerWaalsContact O-CG 3.25Å; M45-R49 WeakPolarHBondContact O-CG 3.32Å; M45-R49 PolarHBondContact O-N 3.34Å; M45-A207 HydrophobicContact SD-CB 4.43Å; M45-F212 HydrophobicContact CB-CE1 3.58Å; M45-F212 HydrophobicContact CB-CZ 3.44Å; M45-F212 VanDerWaalsContact CB-CZ 3.44Å; M45-F212 HydrophobicContact CG-CZ 4.4Å; M45-F212 HydrophobicContact SD-CZ 4.2Å
46	A	98.1	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-45.3	176.1	0	0	0	0	0	110.8	Y42 F43 R49 N50 I51 M53 F212	Y42-A46 WeakPolarHBondContact O-CB 3.22Å; Y42-A46 PolarHBondContact O-N 2.86Å; F43-A46 PolarHBondContact O-N 3.48Å; A46-R49 CarbonylContact O-C 3.53Å; A46-R49 PolarHBondContact O-N 3.48Å; A46-R49 VanDerWaalsContact O-N 3.14Å; A46-N50 PolarHBondContact O-N 2.75Å; A46-N50 VanDerWaalsContact O-N 3.11Å; A46-I51 HydrophobicContact CB-CB 3.98Å; A46-I51 HydrophobicContact CB-CG1 4.35Å; A46-I51 HydrophobicContact CB-CG2 4.46Å; A46-I51 PolarHBondContact O-N 2.69Å; A46-M53 HydrophobicContact CB-CE 4.25Å; A46-M53 HydrophobicContact CB-CG 3.83Å; A46-M53 HydrophobicContact CB-SD 3.64Å; A46-F212 HydrophobicContact CB-CD1 4.08Å; A46-F212 HydrophobicContact CB-CE1 4.21Å
47	K	95.7	Very high	97.5	Very high	99 Å²	99	41.8 Å²	41.8	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-61.5	-44.7	175.5	-74.3	179.5	177.7	-177.1	0	112.3	F43 D44 R49 N50 D57	F43-K47 WeakPolarHBondContact O-CG 3.29Å; F43-K47 PolarHBondContact O-N 2.81Å; D44-K47 PolarHBondContact O-N 3.47Å; K47-R49 PolarHBondContact O-N 3.37Å; K47-N50 PolarHBondContact O-N 2.9Å; K47-N50 VanDerWaalsContact O-N 3.08Å; K47-D57 WeakPolarHBondContact CE-OD1 3.25Å; K47-D57 IonicContact NZ-OD1 3.52Å; K47-D57 PolarHBondContact NZ-OD1 3.35Å; K47-D57 IonicContact NZ-OD2 3.55Å
48	Q	97.5	Very high	97.4	Very high	152 Å²	152	45.2 Å²	45.2	71%	0.71	22%	0.221	S	C	*	.	H	α-helix	trans	-61	-29.4	175.7	-72.3	168.5	17.6	0	0	112.9	D44 M45	D44-Q48 VanDerWaalsContact O-CG 3.25Å; D44-Q48 WeakPolarHBondContact O-CG 3.26Å; D44-Q48 PolarHBondContact O-N 3.47Å; M45-Q48 PolarHBondContact O-N 2.86Å
49	R	97.7	Very high	97.3	Very high	96 Å²	96	45.2 Å²	45.2	36%	0.362	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.4	178.3	-69.8	173.6	-178.8	-127.2	9.7	113.7	M45 A46 K47 I51 A207 D209 F212	M45-R49 WeakPolarHBondContact O-CB 3.27Å; M45-R49 VanDerWaalsContact O-CG 3.25Å; M45-R49 WeakPolarHBondContact O-CG 3.32Å; M45-R49 PolarHBondContact O-N 3.34Å; A46-R49 CarbonylContact O-C 3.53Å; A46-R49 PolarHBondContact O-N 3.48Å; A46-R49 VanDerWaalsContact O-N 3.14Å; K47-R49 PolarHBondContact O-N 3.37Å; R49-I51 HydrophobicContact CB-CD1 4.29Å; R49-I51 HydrophobicContact CB-CG1 3.8Å; R49-I51 PolarHBondContact O-N 3.45Å; R49-A207 PolarHBondContact NH2-O 2.91Å; R49-D209 IonicContact NH1-OD1 2.71Å; R49-D209 PolarHBondContact NH1-OD1 3.05Å; R49-F212 VanDerWaalsContact CZ-CD2 3.46Å; R49-F212 VanDerWaalsContact NE-CE2 3.27Å; R49-F212 VanDerWaalsContact NH1-CD2 3.33Å
50	N	97.4	Very high	97.1	Very high	151 Å²	151	45.3 Å²	45.3	81%	0.807	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	33	-174.6	-51.9	-68	0	0	0	113.7	A46 K47	A46-N50 PolarHBondContact O-N 2.75Å; A46-N50 VanDerWaalsContact O-N 3.11Å; K47-N50 PolarHBondContact O-N 2.9Å; K47-N50 VanDerWaalsContact O-N 3.08Å
51	I	98.1	Very high	96.9	Very high	37 Å²	37	50.1 Å²	50.1	19%	0.19	25%	0.25	C	S	.	.			trans	-73	142	172.6	-55	-63.2	0	0	0	108.8	A46 R49 M53 F212 E216	A46-I51 HydrophobicContact CB-CB 3.98Å; A46-I51 HydrophobicContact CB-CG1 4.35Å; A46-I51 HydrophobicContact CB-CG2 4.46Å; A46-I51 PolarHBondContact O-N 2.69Å; R49-I51 HydrophobicContact CB-CD1 4.29Å; R49-I51 HydrophobicContact CB-CG1 3.8Å; R49-I51 PolarHBondContact O-N 3.45Å; I51-M53 HydrophobicContact CG2-SD 4.44Å; I51-M53 PolarHBondContact O-N 3.27Å; I51-F212 HydrophobicContact CD1-CB 3.89Å; I51-F212 HydrophobicContact CG1-CB 3.96Å; I51-F212 HydrophobicContact CG1-CD1 4.2Å; I51-F212 HydrophobicContact CG1-CG 4.35Å; I51-E216 HydrophobicContact CG2-CB 3.93Å; I51-E216 HydrophobicContact CG2-CG 4.48Å
52	N	97.9	Very high	96.7	Very high	59 Å²	59	53.7 Å²	53.7	32%	0.316	27%	0.267	S	S	.	.			trans	-66.6	116.6	177.2	-176.1	13	0	0	0	111.3	S54 E216 N219	N52-S54 VanDerWaalsContact OD1-CB 3.3Å; N52-S54 WeakPolarHBondContact OD1-CB 3.19Å; N52-S54 PolarHBondContact OD1-N 3.35Å; N52-S54 VanDerWaalsContact OD1-N 3.12Å; N52-S54 PolarHBondContact OD1-OG 3.44Å; N52-S54 VanDerWaalsContact OD1-OG 3.08Å; N52-E216 HydrophobicContact CB-CG 4.42Å; N52-N219 PolarHBondContact ND2-ND2 2.93Å; N52-N219 WeakPolarHBondContact O-CB 3.42Å; N52-N219 VanDerWaalsContact O-CG 3.26Å; N52-N219 PolarHBondContact O-ND2 3.28Å; N52-N219 PolarHBondContact OD1-ND2 3.31Å
53	M	97.8	Very high	96.5	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.03	27%	0.267	C	S	.	.			trans	-121.8	21.1	178.5	-60.8	-59.7	-71.9	0	0	112.2	F38 F43 A46 I51 A55 F56 D57 I215 N219	F38-M53 HydrophobicContact CZ-CE 4.37Å; F43-M53 HydrophobicContact CD1-CE 3.54Å; F43-M53 HydrophobicContact CE1-CE 3.71Å; F43-M53 HydrophobicContact CG-CE 4.5Å; A46-M53 HydrophobicContact CB-CE 4.25Å; A46-M53 HydrophobicContact CB-CG 3.83Å; A46-M53 HydrophobicContact CB-SD 3.64Å; I51-M53 HydrophobicContact CG2-SD 4.44Å; I51-M53 PolarHBondContact O-N 3.27Å; M53-A55 PolarHBondContact O-N 3.09Å; M53-F56 HydrophobicContact CE-CB 4.21Å; M53-F56 HydrophobicContact CE-CD2 3.34Å; M53-F56 HydrophobicContact CE-CE2 3.73Å; M53-F56 HydrophobicContact CE-CG 3.86Å; M53-F56 WeakPolarHBondContact O-CB 3.13Å; M53-F56 PolarHBondContact O-N 2.68Å; M53-F56 HydrophobicContact SD-CD2 4.04Å; M53-F56 HydrophobicContact SD-CE2 4.36Å; M53-D57 PolarHBondContact O-N 3.39Å; M53-I215 HydrophobicContact CE-CG2 3.85Å; M53-I215 HydrophobicContact SD-CG2 3.46Å; M53-I215 WeakPolarHBondContact SD-CG2 3.25Å; M53-N219 WeakPolarHBondContact CA-OD1 3.39Å
54	S	98.1	Very high	96.5	Very high	52 Å²	52	53.6 Å²	53.6	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-56.1	-41.7	-171.4	59.6	0	0	0	0	114.6	N52 D57 K58 N219	N52-S54 VanDerWaalsContact OD1-CB 3.3Å; N52-S54 WeakPolarHBondContact OD1-CB 3.19Å; N52-S54 PolarHBondContact OD1-N 3.35Å; N52-S54 VanDerWaalsContact OD1-N 3.12Å; N52-S54 PolarHBondContact OD1-OG 3.44Å; N52-S54 VanDerWaalsContact OD1-OG 3.08Å; S54-D57 PolarHBondContact O-N 3.43Å; S54-K58 PolarHBondContact O-N 3.28Å; S54-N219 PolarHBondContact N-OD1 3.01Å; S54-N219 PolarHBondContact OG-ND2 3.06Å
55	A	98.4	Very high	96.4	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-72	-40.3	-178.8	0	0	0	0	0	111.1	M53 K58 I59 N219 L222 E223 L226	M53-A55 PolarHBondContact O-N 3.09Å; A55-K58 WeakPolarHBondContact O-CB 3.21Å; A55-K58 PolarHBondContact O-N 3.37Å; A55-I59 WeakPolarHBondContact O-CD1 3.37Å; A55-I59 WeakPolarHBondContact O-CG1 3.42Å; A55-I59 PolarHBondContact O-N 2.96Å; A55-I59 VanDerWaalsContact O-N 3.09Å; A55-N219 WeakPolarHBondContact CB-O 3.39Å; A55-N219 WeakPolarHBondContact CB-OD1 3.15Å; A55-N219 PolarHBondContact N-OD1 2.91Å; A55-L222 HydrophobicContact CB-CB 3.72Å; A55-E223 HydrophobicContact CB-CB 4.11Å; A55-L226 HydrophobicContact CB-CD1 4.31Å
56	F	97.7	Very high	96.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-48.1	172	-71.9	-75.5	0	0	0	111.5	L35 F38 F43 M53 K58 I59 I60 I215 I218 N219 L222 M367	L35-F56 HydrophobicContact CD1-CE1 4.08Å; L35-F56 HydrophobicContact CD1-CZ 4.08Å; F38-F56 HydrophobicContact CE2-CE1 4.31Å; F38-F56 HydrophobicContact CE2-CE2 4.41Å; F38-F56 AromaticContact CE2-CZ 3.71Å; F38-F56 HydrophobicContact CE2-CZ 3.71Å; F38-F56 HydrophobicContact CZ-CE1 4.43Å; F38-F56 HydrophobicContact CZ-CZ 4.06Å; F43-F56 HydrophobicContact CE1-CB 3.9Å; F43-F56 AromaticContact CE1-CD1 3.49Å; F43-F56 HydrophobicContact CE1-CD1 3.49Å; F43-F56 VanDerWaalsContact CE1-CD1 3.49Å; F43-F56 HydrophobicContact CE1-CD2 4.42Å; F43-F56 AromaticContact CE1-CE1 3.96Å; F43-F56 HydrophobicContact CE1-CE1 3.96Å; F43-F56 AromaticContact CE1-CG 3.71Å; F43-F56 HydrophobicContact CE1-CG 3.71Å; F43-F56 AromaticContact CZ-CD1 3.87Å; F43-F56 HydrophobicContact CZ-CD1 3.87Å; F43-F56 AromaticContact CZ-CE1 3.98Å; F43-F56 HydrophobicContact CZ-CE1 3.98Å; M53-F56 HydrophobicContact CE-CB 4.21Å; M53-F56 HydrophobicContact CE-CD2 3.34Å; M53-F56 HydrophobicContact CE-CE2 3.73Å; M53-F56 HydrophobicContact CE-CG 3.86Å; M53-F56 WeakPolarHBondContact O-CB 3.13Å; M53-F56 PolarHBondContact O-N 2.68Å; M53-F56 HydrophobicContact SD-CD2 4.04Å; M53-F56 HydrophobicContact SD-CE2 4.36Å; F56-K58 VanDerWaalsContact C-N 3.27Å; F56-K58 PolarHBondContact O-N 2.78Å; F56-I59 PolarHBondContact O-N 2.94Å; F56-I59 VanDerWaalsContact O-N 3.11Å; F56-I60 VanDerWaalsContact O-CG1 3.29Å; F56-I60 WeakPolarHBondContact O-CG1 3.24Å; F56-I60 PolarHBondContact O-N 3.35Å; F56-I215 HydrophobicContact CE2-CG2 4.5Å; F56-I218 HydrophobicContact CE2-CG2 4.18Å; F56-I218 HydrophobicContact CZ-CB 4.5Å; F56-I218 HydrophobicContact CZ-CG2 3.64Å; F56-N219 HydrophobicContact CD2-CB 4.1Å; F56-N219 HydrophobicContact CE2-CB 4.04Å; F56-L222 HydrophobicContact CD1-CD1 3.6Å; F56-L222 HydrophobicContact CD2-CD1 4.17Å; F56-L222 HydrophobicContact CE1-CD1 3.29Å; F56-L222 HydrophobicContact CE2-CD1 3.88Å; F56-L222 HydrophobicContact CG-CD1 4.06Å; F56-L222 HydrophobicContact CZ-CD1 3.46Å; F56-L222 VanDerWaalsContact CZ-CD1 3.46Å; F56-M367 HydrophobicContact CD1-CE 3.61Å; F56-M367 HydrophobicContact CD1-SD 3.97Å; F56-M367 HydrophobicContact CE1-CE 4.14Å
57	D	96.6	Very high	96	Very high	46 Å²	46	56.7 Å²	56.7	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-36.6	177.3	-74.7	-33.5	0	0	0	111.3	K47 M53 S54 I59 I60 N61	K47-D57 WeakPolarHBondContact CE-OD1 3.25Å; K47-D57 IonicContact NZ-OD1 3.52Å; K47-D57 PolarHBondContact NZ-OD1 3.35Å; K47-D57 IonicContact NZ-OD2 3.55Å; M53-D57 PolarHBondContact O-N 3.39Å; S54-D57 PolarHBondContact O-N 3.43Å; D57-I59 PolarHBondContact O-N 2.7Å; D57-I60 PolarHBondContact O-N 3.06Å; D57-N61 VanDerWaalsContact O-CB 3.25Å; D57-N61 WeakPolarHBondContact O-CB 3.48Å; D57-N61 PolarHBondContact O-N 3.43Å; D57-N61 PolarHBondContact O-ND2 3.15Å
58	K	96.2	Very high	96	Very high	72 Å²	72	57 Å²	57	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-59.7	-44.1	173.2	-175.2	173.4	173.7	-175.8	0	111.6	S54 A55 F56 Q62 L226 E230	S54-K58 PolarHBondContact O-N 3.28Å; A55-K58 WeakPolarHBondContact O-CB 3.21Å; A55-K58 PolarHBondContact O-N 3.37Å; F56-K58 VanDerWaalsContact C-N 3.27Å; F56-K58 PolarHBondContact O-N 2.78Å; K58-Q62 WeakPolarHBondContact O-CB 3.38Å; K58-Q62 VanDerWaalsContact O-CG 3.27Å; K58-Q62 WeakPolarHBondContact O-CG 3.39Å; K58-Q62 PolarHBondContact O-N 2.9Å; K58-L226 HydrophobicContact CB-CD1 4.32Å; K58-L226 HydrophobicContact CD-CD1 3.92Å; K58-L226 HydrophobicContact CG-CD1 4.26Å; K58-E230 IonicContact NZ-OE2 3.07Å
59	I	95.9	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-48.6	178.2	-65.2	156.8	0	0	0	110.8	A55 F56 D57 N61 Q62 G63 L222 L226 L241 I243 M367 M369	A55-I59 WeakPolarHBondContact O-CD1 3.37Å; A55-I59 WeakPolarHBondContact O-CG1 3.42Å; A55-I59 PolarHBondContact O-N 2.96Å; A55-I59 VanDerWaalsContact O-N 3.09Å; F56-I59 PolarHBondContact O-N 2.94Å; F56-I59 VanDerWaalsContact O-N 3.11Å; D57-I59 PolarHBondContact O-N 2.7Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.34Å; I59-Q62 PolarHBondContact O-N 3.18Å; I59-Q62 VanDerWaalsContact O-N 3.15Å; I59-G63 PolarHBondContact O-N 3.22Å; I59-G63 VanDerWaalsContact O-N 3.17Å; I59-L222 HydrophobicContact CD1-CD1 4.21Å; I59-L226 HydrophobicContact CD1-CD1 4.28Å; I59-L226 HydrophobicContact CG1-CD1 4.01Å; I59-L226 HydrophobicContact CG1-CD2 4.13Å; I59-L241 HydrophobicContact CD1-CD2 4.43Å; I59-I243 HydrophobicContact CD1-CD1 3.38Å; I59-M367 HydrophobicContact CB-SD 4.04Å; I59-M367 HydrophobicContact CD1-SD 4.33Å; I59-M367 HydrophobicContact CG2-CB 4.3Å; I59-M367 HydrophobicContact CG2-CG 3.85Å; I59-M367 HydrophobicContact CG2-SD 3.62Å; I59-M369 HydrophobicContact CB-SD 4.12Å; I59-M369 HydrophobicContact CG1-CG 4.47Å; I59-M369 HydrophobicContact CG1-SD 3.67Å; I59-M369 HydrophobicContact CG2-CB 4.22Å; I59-M369 HydrophobicContact CG2-CG 4.01Å; I59-M369 HydrophobicContact CG2-SD 4.18Å
60	I	93.6	Very high	95.8	Very high	25 Å²	25	49.2 Å²	49.2	13%	0.128	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-42.6	-179.9	-65.9	170.4	0	0	0	111.1	F56 D57 Q62 Y65 M367 Q377	F56-I60 VanDerWaalsContact O-CG1 3.29Å; F56-I60 WeakPolarHBondContact O-CG1 3.24Å; F56-I60 PolarHBondContact O-N 3.35Å; D57-I60 PolarHBondContact O-N 3.06Å; I60-Q62 VanDerWaalsContact C-N 3.29Å; I60-Q62 PolarHBondContact O-N 2.92Å; I60-Y65 HydrophobicContact CD1-CD1 4.23Å; I60-Y65 HydrophobicContact CD1-CD2 4.42Å; I60-Y65 HydrophobicContact CD1-CG 4.15Å; I60-Y65 HydrophobicContact CG1-CD1 4.48Å; I60-Y65 HydrophobicContact CG1-CD2 4.39Å; I60-Y65 HydrophobicContact CG1-CG 4.01Å; I60-Y65 HydrophobicContact CG2-CD1 4.38Å; I60-Y65 HydrophobicContact CG2-CG 4.38Å; I60-M367 HydrophobicContact CG1-SD 4.47Å; I60-Q377 PolarHBondContact O-NE2 3.26Å
61	N	93.9	Very high	95.8	Very high	128 Å²	128	42.6 Å²	42.6	68%	0.684	20%	0.204	S	C	*	.	H	α-helix	trans	-73.5	-18.8	-178.6	-70.9	-30.6	0	0	0	113.6	D57 I59	D57-N61 VanDerWaalsContact O-CB 3.25Å; D57-N61 WeakPolarHBondContact O-CB 3.48Å; D57-N61 PolarHBondContact O-N 3.43Å; D57-N61 PolarHBondContact O-ND2 3.15Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.34Å
62	Q	93	Very high	95.8	Very high	93 Å²	93	41.2 Å²	41.2	44%	0.435	20%	0.196	S	C	.	.	H	α-helix	trans	-105.4	2.4	-178.5	-67	-174.6	25.4	0	0	113.6	K58 I59 I60 M369	K58-Q62 WeakPolarHBondContact O-CB 3.38Å; K58-Q62 VanDerWaalsContact O-CG 3.27Å; K58-Q62 WeakPolarHBondContact O-CG 3.39Å; K58-Q62 PolarHBondContact O-N 2.9Å; I59-Q62 PolarHBondContact O-N 3.18Å; I59-Q62 VanDerWaalsContact O-N 3.15Å; I60-Q62 VanDerWaalsContact C-N 3.29Å; I60-Q62 PolarHBondContact O-N 2.92Å; Q62-M369 HydrophobicContact CB-CE 4.41Å
63	G	94.4	Very high	95.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	-132.6	-178.2	0	0	0	0	0	113.3	I59 A368 A374 Q377	I59-G63 PolarHBondContact O-N 3.22Å; I59-G63 VanDerWaalsContact O-N 3.17Å; G63-A368 CarbonylContact C-O 3.57Å; G63-A368 WeakPolarHBondContact CA-O 3.24Å; G63-A374 CarbonylContact C-O 3.43Å; G63-A374 WeakPolarHBondContact CA-O 3.47Å; G63-Q377 PolarHBondContact O-NE2 3.36Å
64	V	94.7	Very high	95.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.3	-175.3	-59.8	0	0	0	0	111.2	M367 A368 I373 A374 L415	V64-M367 CarbonylContact O-C 3.52Å; V64-M367 WeakPolarHBondContact O-CA 3.32Å; V64-M367 WeakPolarHBondContact O-CB 3.17Å; V64-A368 HydrophobicContact CG2-CB 3.94Å; V64-A368 PolarHBondContact N-O 3.35Å; V64-A368 PolarHBondContact O-N 2.95Å; V64-I373 HydrophobicContact CB-CG2 4.33Å; V64-I373 HydrophobicContact CG1-CG2 3.87Å; V64-I373 HydrophobicContact CG2-CG2 3.84Å; V64-A374 HydrophobicContact CG1-CB 4.09Å; V64-A374 WeakPolarHBondContact CG1-O 3.34Å; V64-L415 HydrophobicContact CG2-CB 4.44Å; V64-L415 HydrophobicContact CG2-CD2 4.41Å
65	Y	94.3	Very high	95.9	Very high	40 Å²	40	35.7 Å²	35.7	16%	0.157	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	110.3	178.3	171.8	-123.3	0	0	0	109.2	F43 I60 R67 F365 L366 M367 Q377	F43-Y65 HydrophobicContact CD2-CE2 4.2Å; F43-Y65 WeakPolarHBondContact CD2-OH 3.4Å; F43-Y65 HydrophobicContact CE2-CE2 4.11Å; I60-Y65 HydrophobicContact CD1-CD1 4.23Å; I60-Y65 HydrophobicContact CD1-CD2 4.42Å; I60-Y65 HydrophobicContact CD1-CG 4.15Å; I60-Y65 HydrophobicContact CG1-CD1 4.48Å; I60-Y65 HydrophobicContact CG1-CD2 4.39Å; I60-Y65 HydrophobicContact CG1-CG 4.01Å; I60-Y65 HydrophobicContact CG2-CD1 4.38Å; I60-Y65 HydrophobicContact CG2-CG 4.38Å; Y65-R67 HydrophobicContact CE1-CB 4.11Å; Y65-F365 HydrophobicContact CE2-CB 4.21Å; Y65-F365 HydrophobicContact CE2-CD2 4.21Å; Y65-L366 CarbonylContact C-O 3.37Å; Y65-L366 WeakPolarHBondContact CA-O 3.36Å; Y65-M367 HydrophobicContact CD2-CB 4.13Å; Y65-M367 HydrophobicContact CD2-CE 4.43Å; Y65-Q377 VanDerWaalsContact N-CD 3.29Å; Y65-Q377 PolarHBondContact O-OE1 2.86Å
66	I	94.4	Very high	95.9	Very high	21 Å²	21	36.2 Å²	36.2	11%	0.108	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	109.5	171.6	-50.8	-51.2	0	0	0	107	R68 I69 L366 L381 I385 L415	I66-R68 WeakPolarHBondContact CG2-O 3.4Å; I66-R68 PolarHBondContact O-N 2.58Å; I66-I69 HydrophobicContact CB-CG2 4.18Å; I66-I69 HydrophobicContact CG2-CG2 3.83Å; I66-L366 HydrophobicContact CB-CB 4.32Å; I66-L366 PolarHBondContact N-O 3.23Å; I66-L366 PolarHBondContact O-N 3.21Å; I66-L381 HydrophobicContact CD1-CD1 3.66Å; I66-L381 HydrophobicContact CG1-CD1 4.29Å; I66-L381 HydrophobicContact CG2-CD1 4.45Å; I66-I385 HydrophobicContact CG1-CG1 4.34Å; I66-L415 HydrophobicContact CD1-CD2 4.09Å; I66-L415 HydrophobicContact CG1-CD2 4.22Å
67	R	92.9	Very high	95.9	Very high	109 Å²	109	36.6 Å²	36.6	41%	0.411	17%	0.168	S	C	.	.	S	Bend	trans	-53.8	-39.5	-176.4	-178	167.3	-177.4	-92.9	-3.4	112.2	Y40 D44 Y65	Y40-R67 WeakPolarHBondContact CB-O 3.25Å; Y40-R67 HydrophobicContact CD2-CG 4.23Å; Y40-R67 VanDerWaalsContact CE2-NH1 3.35Å; D44-R67 IonicContact OD2-CZ 3.81Å; D44-R67 VanDerWaalsContact OD2-CZ 3.3Å; D44-R67 IonicContact OD2-NE 3.87Å; D44-R67 PolarHBondContact OD2-NE 3.25Å; D44-R67 VanDerWaalsContact OD2-NE 3.09Å; D44-R67 IonicContact OD2-NH2 2.73Å; D44-R67 PolarHBondContact OD2-NH2 2.87Å; Y65-R67 HydrophobicContact CE1-CB 4.11Å
68	R	94.5	Very high	95.9	Very high	105 Å²	105	36.4 Å²	36.4	40%	0.396	17%	0.165	S	C	.	.			trans	-143.2	128.6	-175.9	-164.1	175.3	70.4	121.4	-1.9	110.9	Y40 I66 S363 P364	Y40-R68 HydrophobicContact CD2-CB 4.38Å; Y40-R68 HydrophobicContact CD2-CG 4.43Å; Y40-R68 HydrophobicContact CG-CG 4.41Å; I66-R68 WeakPolarHBondContact CG2-O 3.4Å; I66-R68 PolarHBondContact O-N 2.58Å; R68-S363 WeakPolarHBondContact CD-OG 3.27Å; R68-P364 WeakPolarHBondContact CA-O 2.99Å
69	I	95.7	Very high	96	Very high	3 Å²	3	33 Å²	33	2%	0.015	15%	0.15	C	C	.	.			trans	-114.2	155.2	170.7	70.4	-179.7	0	0	0	110	I66 P364 L366 I385 L387 I390	I66-I69 HydrophobicContact CB-CG2 4.18Å; I66-I69 HydrophobicContact CG2-CG2 3.83Å; I69-P364 HydrophobicContact CD1-CG 4.06Å; I69-P364 HydrophobicContact CG1-CB 4.29Å; I69-P364 HydrophobicContact CG1-CG 3.64Å; I69-P364 PolarHBondContact N-O 3.2Å; I69-L366 HydrophobicContact CD1-CB 4.33Å; I69-L366 HydrophobicContact CG2-CB 3.82Å; I69-I385 CarbonylContact C-O 3.6Å; I69-I385 WeakPolarHBondContact CA-O 3.07Å; I69-I385 HydrophobicContact CB-CB 4.32Å; I69-I385 HydrophobicContact CB-CG2 4.4Å; I69-I385 WeakPolarHBondContact CB-O 3.49Å; I69-I385 HydrophobicContact CG2-CB 3.82Å; I69-I385 HydrophobicContact CG2-CG2 3.97Å; I69-L387 HydrophobicContact CD1-CD1 3.75Å; I69-I390 HydrophobicContact CD1-CD1 4.29Å
70	E	96.6	Very high	96.2	Very high	81 Å²	81	33 Å²	33	38%	0.379	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-73	134.5	176.9	-66.9	177.8	-165.7	0	0	110.2	S384 I385 K386 L387	E70-S384 WeakPolarHBondContact OE1-CB 3.43Å; E70-S384 PolarHBondContact OE1-OG 3.37Å; E70-S384 VanDerWaalsContact OE1-OG 3.08Å; E70-I385 PolarHBondContact N-O 3.16Å; E70-K386 HydrophobicContact CB-CB 4.45Å; E70-K386 HydrophobicContact CB-CG 4.15Å; E70-K386 CarbonylContact O-C 3.58Å; E70-K386 WeakPolarHBondContact O-CA 3.24Å; E70-K386 VanDerWaalsContact OE2-CE 3.27Å; E70-K386 WeakPolarHBondContact OE2-CE 3.37Å; E70-K386 IonicContact OE2-NZ 2.66Å; E70-L387 PolarHBondContact O-N 3.47Å
71	N	97.2	Very high	96.4	Very high	12 Å²	12	32 Å²	32	6%	0.064	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-103.2	170.2	-175.1	-155.1	-8.2	0	0	0	111.9	T75 D246 H247 P357 M362 P364 L387	N71-T75 HydrophobicContact CB-CG2 4.13Å; N71-D246 PolarHBondContact ND2-O 3.14Å; N71-D246 PolarHBondContact OD1-O 2.9Å; N71-H247 WeakPolarHBondContact ND2-CA 3.49Å; N71-P357 HydrophobicContact CB-CB 3.98Å; N71-P357 WeakPolarHBondContact O-CB 3.29Å; N71-M362 PolarHBondContact ND2-O 3.34Å; N71-P364 HydrophobicContact CB-CG 4.32Å; N71-L387 VanDerWaalsContact OD1-CD2 3.32Å; N71-L387 WeakPolarHBondContact OD1-CD2 3.45Å
72	E	97.8	Very high	96.6	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.037	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-89.7	160.8	178.1	-58.9	-58.7	139.9	0	0	111.9	P74 T75 H89 P90 L387 I388	E72-P74 CarbonylContact O-C 3.55Å; E72-T75 WeakPolarHBondContact O-CG2 3.42Å; E72-T75 PolarHBondContact O-N 3.23Å; E72-H89 IonicContact OE1-CE1 3.83Å; E72-H89 IonicContact OE1-ND1 3.35Å; E72-H89 IonicContact OE2-CE1 3.48Å; E72-H89 IonicContact OE2-CG 3.06Å; E72-H89 IonicContact OE2-ND1 3.39Å; E72-H89 PolarHBondContact OE2-ND1 3.29Å; E72-P90 HydrophobicContact CB-CG 4Å; E72-P90 WeakPolarHBondContact OE2-CD 3.27Å; E72-L387 HydrophobicContact CG-CB 4.42Å; E72-L387 HydrophobicContact CG-CD2 4.21Å; E72-I388 HydrophobicContact CG-CG2 4.42Å; E72-I388 WeakPolarHBondContact OE1-CG2 3.25Å
73	F	98.5	Very high	96.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	9%	0.091	C	C	.	.	S	Bend	trans	-109.5	131.8	173.3	-178.6	-93.1	0	0	0	111.3	I279 F316 Y318 Y330 P357	F73-I279 HydrophobicContact CE1-CD1 3.62Å; F73-I279 HydrophobicContact CZ-CD1 3.57Å; F73-F316 HydrophobicContact CB-CB 3.92Å; F73-F316 HydrophobicContact CB-CD1 3.68Å; F73-F316 HydrophobicContact CB-CE1 4.42Å; F73-F316 HydrophobicContact CB-CG 4Å; F73-F316 HydrophobicContact CD1-CB 3.86Å; F73-F316 HydrophobicContact CD1-CD1 4.2Å; F73-F316 HydrophobicContact CD1-CD2 4.1Å; F73-F316 AromaticContact CD1-CG 3.83Å; F73-F316 HydrophobicContact CD1-CG 3.83Å; F73-F316 AromaticContact CD2-CD1 3.85Å; F73-F316 HydrophobicContact CD2-CD1 3.85Å; F73-F316 AromaticContact CD2-CE1 3.8Å; F73-F316 HydrophobicContact CD2-CE1 3.8Å; F73-F316 HydrophobicContact CD2-CG 4.27Å; F73-F316 HydrophobicContact CD2-CZ 4.19Å; F73-F316 HydrophobicContact CE1-CD2 4.17Å; F73-F316 HydrophobicContact CE1-CE2 4.48Å; F73-F316 HydrophobicContact CE1-CG 4.36Å; F73-F316 HydrophobicContact CE2-CE1 4.22Å; F73-F316 HydrophobicContact CE2-CE2 4.37Å; F73-F316 HydrophobicContact CE2-CZ 4.14Å; F73-F316 HydrophobicContact CG-CB 4.01Å; F73-F316 AromaticContact CG-CD1 3.63Å; F73-F316 HydrophobicContact CG-CD1 3.63Å; F73-F316 HydrophobicContact CG-CD2 4.31Å; F73-F316 HydrophobicContact CG-CE1 4.08Å; F73-F316 AromaticContact CG-CG 3.76Å; F73-F316 HydrophobicContact CG-CG 3.76Å; F73-F316 HydrophobicContact CZ-CD2 4.44Å; F73-F316 HydrophobicContact CZ-CE2 4.31Å; F73-Y318 HydrophobicContact CD1-CD1 4.07Å; F73-Y318 HydrophobicContact CD1-CD2 4.24Å; F73-Y318 AromaticContact CD1-CG 3.83Å; F73-Y318 HydrophobicContact CD1-CG 3.83Å; F73-Y318 AromaticContact CE1-CD1 3.92Å; F73-Y318 HydrophobicContact CE1-CD1 3.92Å; F73-Y318 HydrophobicContact CE1-CE1 4.3Å; F73-Y318 HydrophobicContact CE1-CG 4.18Å; F73-Y318 VanDerWaalsContact O-CD2 3.26Å; F73-Y318 WeakPolarHBondContact O-CD2 3.41Å; F73-Y330 HydrophobicContact CE2-CD2 4.48Å; F73-Y330 HydrophobicContact CE2-CG 4.4Å; F73-Y330 AromaticContact CZ-CD1 3.89Å; F73-Y330 HydrophobicContact CZ-CD1 3.89Å; F73-Y330 HydrophobicContact CZ-CE1 4.22Å; F73-Y330 HydrophobicContact CZ-CG 4.09Å; F73-P357 HydrophobicContact CB-CG 4.24Å
74	P	98.4	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.091	C	C	.	.	S	Bend	cis	-73.8	155.5	-9.1	33.6	-37.7	0	0	0	111.5	E72 L76 P79 I279 Y318	E72-P74 CarbonylContact O-C 3.55Å; P74-L76 HydrophobicContact CB-CD1 4.07Å; P74-L76 HydrophobicContact CB-CG 4.03Å; P74-L76 HydrophobicContact CG-CB 4.41Å; P74-L76 HydrophobicContact CG-CD1 3.66Å; P74-L76 HydrophobicContact CG-CG 3.99Å; P74-L76 PolarHBondContact O-N 3.1Å; P74-P79 HydrophobicContact CG-CG 4.47Å; P74-I279 HydrophobicContact CB-CD1 4.14Å; P74-I279 HydrophobicContact CB-CG2 4.05Å; P74-I279 HydrophobicContact CG-CD1 4.38Å; P74-I279 HydrophobicContact CG-CG2 4.31Å; P74-Y318 HydrophobicContact CG-CE2 4.41Å
75	T	98.5	Very high	97.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.09	C	C	.	.			trans	-78.9	58.4	179.4	67	0	0	0	0	111.3	N71 E72 H247 H353 G354 Y355 P357 M362	N71-T75 HydrophobicContact CB-CG2 4.13Å; E72-T75 WeakPolarHBondContact O-CG2 3.42Å; E72-T75 PolarHBondContact O-N 3.23Å; T75-H247 PolarHBondContact O-CD2 3.17Å; T75-H353 PolarHBondContact O-ND1 3.09Å; T75-H353 VanDerWaalsContact O-ND1 3.12Å; T75-G354 WeakPolarHBondContact O-CA 3.09Å; T75-G354 PolarHBondContact O-N 3.5Å; T75-G354 WeakPolarHBondContact OG1-CA 3.34Å; T75-G354 PolarHBondContact OG1-N 3.31Å; T75-G354 VanDerWaalsContact OG1-N 3.16Å; T75-Y355 WeakPolarHBondContact CG2-O 3.41Å; T75-Y355 PolarHBondContact OG1-N 3.47Å; T75-Y355 PolarHBondContact OG1-O 3.4Å; T75-P357 HydrophobicContact CG2-CB 3.84Å; T75-M362 HydrophobicContact CG2-CB 3.84Å; T75-M362 HydrophobicContact CG2-CG 4.34Å; T75-M362 PolarHBondContact OG1-SD 2.9Å
76	L	98.3	Very high	97.5	Very high	13 Å²	13	19.5 Å²	19.5	7%	0.068	8%	0.083	C	C	.	.			trans	-107	150.2	179.7	-68	175.2	0	0	0	110	P74 F78 P79 S80 D97 I279	P74-L76 HydrophobicContact CB-CD1 4.07Å; P74-L76 HydrophobicContact CB-CG 4.03Å; P74-L76 HydrophobicContact CG-CB 4.41Å; P74-L76 HydrophobicContact CG-CD1 3.66Å; P74-L76 HydrophobicContact CG-CG 3.99Å; P74-L76 PolarHBondContact O-N 3.1Å; L76-F78 PolarHBondContact O-N 3.3Å; L76-P79 HydrophobicContact CB-CG 4.1Å; L76-P79 WeakPolarHBondContact O-CD 3.48Å; L76-S80 WeakPolarHBondContact O-CB 3.42Å; L76-S80 PolarHBondContact O-N 2.98Å; L76-S80 PolarHBondContact O-OG 2.94Å; L76-D97 VanDerWaalsContact CD1-OD1 3.26Å; L76-D97 WeakPolarHBondContact CD1-OD1 3.21Å; L76-I279 HydrophobicContact CD1-CG2 4.13Å
77	T	98.1	Very high	97.7	Very high	9 Å²	9	18.5 Å²	18.5	6%	0.055	8%	0.078	C	C	.	.	H	α-helix	trans	-45.6	-60.4	-177.9	-43.4	0	0	0	0	113	D36 S80 H81 Y193 D246 H247	D36-T77 WeakPolarHBondContact OD2-CG2 3.47Å; T77-S80 PolarHBondContact O-N 3.04Å; T77-H81 VanDerWaalsContact CG2-CE1 3.4Å; T77-H81 WeakPolarHBondContact CG2-CE1 3.1Å; T77-H81 WeakPolarHBondContact CG2-ND1 3.47Å; T77-H81 WeakPolarHBondContact O-CB 3.22Å; T77-H81 PolarHBondContact O-N 3.36Å; T77-H81 PolarHBondContact O-ND1 3.25Å; T77-H81 VanDerWaalsContact O-ND1 3.17Å; T77-Y193 HydrophobicContact CG2-CE2 4.27Å; T77-D246 VanDerWaalsContact CA-OD2 3.31Å; T77-D246 WeakPolarHBondContact CA-OD2 3.32Å; T77-D246 WeakPolarHBondContact CG2-OD2 3.43Å; T77-H247 PolarHBondContact N-CD2 3.3Å; T77-H247 PolarHBondContact N-NE2 3.18Å; T77-H247 PolarHBondContact OG1-NE2 3.37Å; T77-H247 VanDerWaalsContact OG1-NE2 3.14Å
78	F	97.7	Very high	98	Very high	41 Å²	41	14.2 Å²	14.2	18%	0.18	6%	0.064	C	C	.	.	H	α-helix	trans	-71.1	-47.2	-169.9	-82.7	-135.4	0	0	0	113.4	L76 S80 F82 I95 N98 F109 I147	L76-F78 PolarHBondContact O-N 3.3Å; F78-S80 VanDerWaalsContact C-N 3.34Å; F78-S80 PolarHBondContact O-N 3.43Å; F78-F82 WeakPolarHBondContact O-CB 3.34Å; F78-F82 PolarHBondContact O-N 2.92Å; F78-I95 HydrophobicContact CB-CG2 3.99Å; F78-N98 WeakPolarHBondContact CB-OD1 3.46Å; F78-N98 PolarHBondContact N-OD1 3.16Å; F78-F109 AromaticContact CD1-CE1 3.79Å; F78-F109 HydrophobicContact CD1-CE1 3.79Å; F78-F109 AromaticContact CD1-CZ 3.71Å; F78-F109 HydrophobicContact CD1-CZ 3.71Å; F78-F109 HydrophobicContact CE1-CE1 4.37Å; F78-F109 HydrophobicContact CE1-CZ 4.01Å; F78-I147 HydrophobicContact CB-CD1 3.5Å; F78-I147 VanDerWaalsContact CB-CD1 3.5Å; F78-I147 HydrophobicContact CD1-CB 4.25Å; F78-I147 HydrophobicContact CD1-CD1 3.2Å; F78-I147 HydrophobicContact CD1-CG1 3.67Å; F78-I147 HydrophobicContact CE1-CB 4.33Å; F78-I147 HydrophobicContact CE1-CD1 3.99Å; F78-I147 HydrophobicContact CE1-CG1 3.92Å; F78-I147 HydrophobicContact CG-CD1 3.58Å; F78-I147 HydrophobicContact CG-CG1 4.27Å
79	P	98.3	Very high	98.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-54.8	-49.7	171.8	-28.5	37	0	0	0	112.3	P74 L76 F82 S83 P90 H93 I95	P74-P79 HydrophobicContact CG-CG 4.47Å; L76-P79 HydrophobicContact CB-CG 4.1Å; L76-P79 WeakPolarHBondContact O-CD 3.48Å; P79-F82 PolarHBondContact O-N 3.44Å; P79-S83 PolarHBondContact O-N 3.17Å; P79-S83 PolarHBondContact O-OG 2.81Å; P79-P90 HydrophobicContact CB-CB 4.14Å; P79-P90 HydrophobicContact CB-CG 3.87Å; P79-H93 PolarHBondContact O-NE2 2.92Å; P79-H93 VanDerWaalsContact O-NE2 3.13Å; P79-I95 WeakPolarHBondContact CB-O 3.38Å; P79-I95 HydrophobicContact CG-CG2 4.47Å
80	S	98.7	Very high	98.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.9	-46.1	-176.2	-52.3	0	0	0	0	111.6	L76 T77 F78 F82 S83 I84	L76-S80 WeakPolarHBondContact O-CB 3.42Å; L76-S80 PolarHBondContact O-N 2.98Å; L76-S80 PolarHBondContact O-OG 2.94Å; T77-S80 PolarHBondContact O-N 3.04Å; F78-S80 VanDerWaalsContact C-N 3.34Å; F78-S80 PolarHBondContact O-N 3.43Å; S80-F82 VanDerWaalsContact C-N 3.31Å; S80-F82 PolarHBondContact O-N 3.15Å; S80-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 3.24Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 2.98Å
81	H	98.7	Very high	98.3	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.019	3%	0.031	C	C	.	.	H	α-helix	trans	-61.5	-37.8	176.6	-77.3	137.6	0	0	0	113.1	S34 T77 I84 V85 W146 I147 Y193 D246	S34-H81 WeakPolarHBondContact CB-NE2 3.22Å; S34-H81 PolarHBondContact OG-CD2 3.48Å; S34-H81 PolarHBondContact OG-NE2 2.94Å; T77-H81 VanDerWaalsContact CG2-CE1 3.4Å; T77-H81 WeakPolarHBondContact CG2-CE1 3.1Å; T77-H81 WeakPolarHBondContact CG2-ND1 3.47Å; T77-H81 WeakPolarHBondContact O-CB 3.22Å; T77-H81 PolarHBondContact O-N 3.36Å; T77-H81 PolarHBondContact O-ND1 3.25Å; T77-H81 VanDerWaalsContact O-ND1 3.17Å; H81-I84 PolarHBondContact O-N 2.98Å; H81-V85 WeakPolarHBondContact O-CG2 3.35Å; H81-V85 PolarHBondContact O-N 3.37Å; H81-W146 HydrophobicContact CB-CZ2 4.49Å; H81-W146 PolarHBondContact O-NE1 3.02Å; H81-I147 HydrophobicContact CB-CG2 3.58Å; H81-Y193 AromaticContact CE1-CD2 3.36Å; H81-Y193 WeakPolarHBondContact CE1-CD2 3.4Å; H81-Y193 AromaticContact CE1-CE2 3.45Å; H81-Y193 VanDerWaalsContact CE1-CE2 3.45Å; H81-Y193 WeakPolarHBondContact CE1-CE2 3.39Å; H81-Y193 AromaticContact NE2-CD2 3.76Å; H81-D246 IonicContact CE1-OD2 3.47Å; H81-D246 PolarHBondContact CE1-OD2 3.08Å; H81-D246 IonicContact ND1-OD2 3.4Å; H81-D246 IonicContact NE2-OD2 3.22Å; H81-D246 PolarHBondContact NE2-OD2 2.87Å
82	F	98.5	Very high	98.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-72.7	-33.3	177.9	-153.4	-122.9	0	0	0	111.3	F78 P79 S80 V85 T86 H93 I95 Y123 A127 P129 I147 I153	F78-F82 WeakPolarHBondContact O-CB 3.34Å; F78-F82 PolarHBondContact O-N 2.92Å; P79-F82 PolarHBondContact O-N 3.44Å; S80-F82 VanDerWaalsContact C-N 3.31Å; S80-F82 PolarHBondContact O-N 3.15Å; F82-V85 HydrophobicContact CD2-CG2 4.04Å; F82-V85 WeakPolarHBondContact O-CG2 3.44Å; F82-V85 PolarHBondContact O-N 3.12Å; F82-T86 HydrophobicContact CD1-CG2 4.1Å; F82-T86 HydrophobicContact CD2-CG2 4.39Å; F82-T86 HydrophobicContact CE1-CG2 3.94Å; F82-T86 HydrophobicContact CE2-CG2 4.25Å; F82-T86 HydrophobicContact CG-CG2 4.33Å; F82-T86 HydrophobicContact CZ-CG2 4.01Å; F82-T86 WeakPolarHBondContact O-CB 3.43Å; F82-T86 WeakPolarHBondContact O-CG2 3.46Å; F82-T86 PolarHBondContact O-N 3.44Å; F82-T86 PolarHBondContact O-OG1 2.9Å; F82-H93 HydrophobicContact CD1-CB 3.74Å; F82-H93 AromaticContact CD1-CD2 3.96Å; F82-H93 AromaticContact CD1-CE1 3.96Å; F82-H93 AromaticContact CD1-CG 3.58Å; F82-H93 AromaticContact CD1-ND1 3.63Å; F82-H93 HydrophobicContact CE1-CB 3.91Å; F82-I95 HydrophobicContact CB-CB 4.35Å; F82-I95 HydrophobicContact CB-CG1 4.28Å; F82-I95 HydrophobicContact CD1-CB 4.21Å; F82-I95 HydrophobicContact CD1-CG1 3.56Å; F82-I95 HydrophobicContact CE1-CG1 4Å; F82-I95 HydrophobicContact CG-CG1 3.97Å; F82-Y123 HydrophobicContact CE2-CD1 4.43Å; F82-Y123 HydrophobicContact CZ-CD1 4.43Å; F82-A127 HydrophobicContact CE1-CB 3.69Å; F82-A127 HydrophobicContact CZ-CB 4.13Å; F82-P129 HydrophobicContact CE2-CG 3.65Å; F82-P129 HydrophobicContact CZ-CG 3.85Å; F82-I147 HydrophobicContact CB-CD1 4.36Å; F82-I147 HydrophobicContact CB-CG2 4.03Å; F82-I147 HydrophobicContact CD2-CG2 4.11Å; F82-I153 HydrophobicContact CE2-CD1 4.19Å; F82-I153 HydrophobicContact CZ-CD1 4.1Å
83	S	98.8	Very high	98.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.3	-42.6	171.2	-61.7	0	0	0	0	112.3	P79 S80 V85 T86 G87 L88 H93	P79-S83 PolarHBondContact O-N 3.17Å; P79-S83 PolarHBondContact O-OG 2.81Å; S80-S83 WeakPolarHBondContact O-CB 3.35Å; S80-S83 PolarHBondContact O-N 3.24Å; S83-V85 VanDerWaalsContact C-N 3.28Å; S83-V85 PolarHBondContact O-N 3.18Å; S83-T86 PolarHBondContact O-N 2.92Å; S83-G87 WeakPolarHBondContact O-CA 3.39Å; S83-G87 PolarHBondContact O-N 3.11Å; S83-L88 VanDerWaalsContact CA-O 3.31Å; S83-L88 WeakPolarHBondContact CA-O 3.49Å; S83-L88 VanDerWaalsContact CB-O 3.24Å; S83-L88 WeakPolarHBondContact CB-O 3.33Å; S83-L88 PolarHBondContact OG-O 3.41Å; S83-H93 PolarHBondContact N-NE2 3.26Å; S83-H93 PolarHBondContact OG-NE2 2.84Å
84	I	98.8	Very high	98.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-56	-42.7	177	-68.4	168.3	0	0	0	111.8	L32 S80 H81 W146 T244 L387 I390 Y391	L32-I84 HydrophobicContact CD2-CG2 3.61Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 2.98Å; H81-I84 PolarHBondContact O-N 2.98Å; I84-W146 HydrophobicContact CB-CZ2 4.08Å; I84-W146 HydrophobicContact CD1-CZ2 4.28Å; I84-W146 HydrophobicContact CG2-CH2 4.19Å; I84-W146 HydrophobicContact CG2-CZ2 3.79Å; I84-T244 HydrophobicContact CD1-CG2 4.16Å; I84-L387 HydrophobicContact CD1-CD1 3.79Å; I84-L387 HydrophobicContact CD1-CD2 4.24Å; I84-L387 HydrophobicContact CD1-CG 4.16Å; I84-L387 HydrophobicContact CG1-CD1 3.58Å; I84-L387 HydrophobicContact CG1-CD2 3.82Å; I84-L387 HydrophobicContact CG1-CG 3.49Å; I84-L387 VanDerWaalsContact CG1-CG 3.49Å; I84-I390 HydrophobicContact CG1-CD1 4.46Å; I84-I390 HydrophobicContact CG2-CB 4.16Å; I84-I390 HydrophobicContact CG2-CD1 4.35Å; I84-I390 HydrophobicContact CG2-CG2 3.87Å; I84-Y391 PolarHBondContact O-N 3.34Å
85	V	98.8	Very high	98.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-92.8	-9.4	-173.1	-64.3	0	0	0	0	114.1	H81 F82 S83 P129 I130 W131 W146 L191 Y391	H81-V85 WeakPolarHBondContact O-CG2 3.35Å; H81-V85 PolarHBondContact O-N 3.37Å; F82-V85 HydrophobicContact CD2-CG2 4.04Å; F82-V85 WeakPolarHBondContact O-CG2 3.44Å; F82-V85 PolarHBondContact O-N 3.12Å; S83-V85 VanDerWaalsContact C-N 3.28Å; S83-V85 PolarHBondContact O-N 3.18Å; V85-P129 HydrophobicContact CB-CB 4.46Å; V85-P129 HydrophobicContact CG2-CB 4.16Å; V85-P129 CarbonylContact O-C 3.58Å; V85-P129 VanDerWaalsContact O-CA 3.24Å; V85-P129 WeakPolarHBondContact O-CA 3.38Å; V85-I130 HydrophobicContact CB-CG2 4.03Å; V85-I130 HydrophobicContact CG1-CG2 4.15Å; V85-I130 PolarHBondContact O-N 2.93Å; V85-W131 HydrophobicContact CB-CZ3 3.86Å; V85-W131 HydrophobicContact CG1-CZ3 4.02Å; V85-W131 HydrophobicContact CG2-CH2 3.93Å; V85-W131 HydrophobicContact CG2-CZ3 3.7Å; V85-W146 HydrophobicContact CG1-CD2 4.15Å; V85-W146 HydrophobicContact CG1-CG 4.47Å; V85-W146 HydrophobicContact CG1-CH2 4.49Å; V85-W146 HydrophobicContact CG1-CZ2 3.59Å; V85-L191 HydrophobicContact CG1-CD1 4.03Å; V85-Y391 WeakPolarHBondContact O-CD2 3.15Å; V85-Y391 WeakPolarHBondContact O-CE2 3.5Å
86	T	98.8	Very high	98.2	Very high	2 Å²	2	8 Å²	8	1%	0.012	5%	0.047	C	C	.	.	H	α-helix	trans	-113.4	-17.4	178.3	58.2	0	0	0	0	112.9	F82 S83 L88 A127 P129 N405	F82-T86 HydrophobicContact CD1-CG2 4.1Å; F82-T86 HydrophobicContact CD2-CG2 4.39Å; F82-T86 HydrophobicContact CE1-CG2 3.94Å; F82-T86 HydrophobicContact CE2-CG2 4.25Å; F82-T86 HydrophobicContact CG-CG2 4.33Å; F82-T86 HydrophobicContact CZ-CG2 4.01Å; F82-T86 WeakPolarHBondContact O-CB 3.43Å; F82-T86 WeakPolarHBondContact O-CG2 3.46Å; F82-T86 PolarHBondContact O-N 3.44Å; F82-T86 PolarHBondContact O-OG1 2.9Å; S83-T86 PolarHBondContact O-N 2.92Å; T86-L88 PolarHBondContact O-N 3.02Å; T86-L88 PolarHBondContact OG1-N 3.45Å; T86-A127 HydrophobicContact CG2-CB 4.03Å; T86-P129 HydrophobicContact CG2-CB 4.33Å; T86-P129 HydrophobicContact CG2-CG 4.02Å; T86-N405 WeakPolarHBondContact O-CB 3.42Å
87	G	98.6	Very high	98.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.			trans	64.6	15.9	-170.8	0	0	0	0	0	113.3	S83 I388 N406 G407	S83-G87 WeakPolarHBondContact O-CA 3.39Å; S83-G87 PolarHBondContact O-N 3.11Å; G87-I388 WeakPolarHBondContact CA-O 3.48Å; G87-N406 WeakPolarHBondContact O-CA 3.37Å; G87-N406 WeakPolarHBondContact O-CB 3.3Å; G87-N406 PolarHBondContact O-N 3.44Å; G87-G407 PolarHBondContact O-N 3.02Å
88	L	98.6	Very high	98.1	Very high	19 Å²	19	8.8 Å²	8.8	10%	0.099	5%	0.051	C	C	.	.			trans	-107.8	150	-177.8	-69	171.4	0	0	0	110.6	S83 T86 H93 A127 I388 N406	S83-L88 VanDerWaalsContact CA-O 3.31Å; S83-L88 WeakPolarHBondContact CA-O 3.49Å; S83-L88 VanDerWaalsContact CB-O 3.24Å; S83-L88 WeakPolarHBondContact CB-O 3.33Å; S83-L88 PolarHBondContact OG-O 3.41Å; T86-L88 PolarHBondContact O-N 3.02Å; T86-L88 PolarHBondContact OG1-N 3.45Å; L88-H93 HydrophobicContact CB-CB 3.92Å; L88-H93 HydrophobicContact CD1-CB 4.08Å; L88-H93 PolarHBondContact O-CD2 3.22Å; L88-A127 HydrophobicContact CD1-CB 4.01Å; L88-I388 WeakPolarHBondContact O-CG2 3.33Å; L88-N406 WeakPolarHBondContact CA-OD1 3.48Å
89	H	98.3	Very high	98.1	Very high	12 Å²	12	8.8 Å²	8.8	6%	0.056	5%	0.054	C	C	.	.			trans	-70.1	157.9	170	-61	-63.5	0	0	0	111.7	E72 G91 S92 H93 F317 I388 N406	E72-H89 IonicContact OE1-CE1 3.83Å; E72-H89 IonicContact OE1-ND1 3.35Å; E72-H89 IonicContact OE2-CE1 3.48Å; E72-H89 IonicContact OE2-CG 3.06Å; E72-H89 IonicContact OE2-ND1 3.39Å; E72-H89 PolarHBondContact OE2-ND1 3.29Å; H89-G91 VanDerWaalsContact C-N 3.27Å; H89-G91 PolarHBondContact O-N 3.41Å; H89-S92 WeakPolarHBondContact O-CA 3.28Å; H89-S92 WeakPolarHBondContact O-CB 3.2Å; H89-S92 PolarHBondContact O-N 3.47Å; H89-H93 PolarHBondContact O-CD2 2.72Å; H89-H93 PolarHBondContact O-N 3.01Å; H89-F317 HydrophobicContact CB-CB 3.58Å; H89-F317 AromaticContact CD2-CD1 3.92Å; H89-F317 AromaticContact CD2-CG 3.55Å; H89-F317 AromaticContact CE1-CD2 3.53Å; H89-F317 AromaticContact CE1-CG 3.87Å; H89-F317 AromaticContact CG-CG 3.8Å; H89-F317 AromaticContact ND1-CD2 3.84Å; H89-F317 AromaticContact ND1-CG 3.99Å; H89-F317 AromaticContact NE2-CD1 3.96Å; H89-F317 AromaticContact NE2-CD2 3.66Å; H89-F317 AromaticContact NE2-CG 3.62Å; H89-I388 VanDerWaalsContact CE1-CD1 3.43Å; H89-I388 WeakPolarHBondContact CE1-CD1 3.41Å; H89-N406 PolarHBondContact CD2-OD1 2.71Å; H89-N406 VanDerWaalsContact CD2-OD1 3.31Å; H89-N406 PolarHBondContact N-OD1 2.79Å
90	P	98.1	Very high	98	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-54.2	-38.4	176.4	-31	38.5	0	0	0	115.3	E72 P79 S92 H93 G94 Y318	E72-P90 HydrophobicContact CB-CG 4Å; E72-P90 WeakPolarHBondContact OE2-CD 3.27Å; P79-P90 HydrophobicContact CB-CB 4.14Å; P79-P90 HydrophobicContact CB-CG 3.87Å; P90-S92 PolarHBondContact O-N 2.85Å; P90-H93 WeakPolarHBondContact CA-CE1 3.37Å; P90-G94 PolarHBondContact O-N 3.07Å; P90-Y318 HydrophobicContact CB-CD2 4.16Å; P90-Y318 HydrophobicContact CB-CE2 4.42Å
91	G	97.1	Very high	97.9	Very high	6 Å²	6	10.6 Å²	10.6	6%	0.062	6%	0.062	C	C	.	.	H	α-helix	trans	-65.3	-17.3	174.8	0	0	0	0	0	114.2	H89 F317 Y318 S320 S321	H89-G91 VanDerWaalsContact C-N 3.27Å; H89-G91 PolarHBondContact O-N 3.41Å; G91-F317 WeakPolarHBondContact CA-O 3.45Å; G91-F317 PolarHBondContact N-O 2.8Å; G91-Y318 WeakPolarHBondContact CA-O 3.36Å; G91-S320 WeakPolarHBondContact CA-OG 3.34Å; G91-S320 CarbonylContact O-C 3.58Å; G91-S320 PolarHBondContact O-OG 2.92Å; G91-S321 WeakPolarHBondContact O-CA 3.48Å; G91-S321 WeakPolarHBondContact O-CB 3.43Å; G91-S321 PolarHBondContact O-N 3.07Å
92	S	97.5	Very high	97.8	Very high	56 Å²	56	10.7 Å²	10.7	39%	0.392	6%	0.062	S	C	.	.	H	α-helix	trans	-100.9	-42	-179.3	-58.8	0	0	0	0	112.4	H89 P90	H89-S92 WeakPolarHBondContact O-CA 3.28Å; H89-S92 WeakPolarHBondContact O-CB 3.2Å; H89-S92 PolarHBondContact O-N 3.47Å; P90-S92 PolarHBondContact O-N 2.85Å
93	H	97.8	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-87.1	-10.8	-179.6	63.9	50.7	0	0	0	114.6	P79 F82 S83 L88 H89 P90 I95 V125 A127	P79-H93 PolarHBondContact O-NE2 2.92Å; P79-H93 VanDerWaalsContact O-NE2 3.13Å; F82-H93 HydrophobicContact CD1-CB 3.74Å; F82-H93 AromaticContact CD1-CD2 3.96Å; F82-H93 AromaticContact CD1-CE1 3.96Å; F82-H93 AromaticContact CD1-CG 3.58Å; F82-H93 AromaticContact CD1-ND1 3.63Å; F82-H93 HydrophobicContact CE1-CB 3.91Å; S83-H93 PolarHBondContact N-NE2 3.26Å; S83-H93 PolarHBondContact OG-NE2 2.84Å; L88-H93 HydrophobicContact CB-CB 3.92Å; L88-H93 HydrophobicContact CD1-CB 4.08Å; L88-H93 PolarHBondContact O-CD2 3.22Å; H89-H93 PolarHBondContact O-CD2 2.72Å; H89-H93 PolarHBondContact O-N 3.01Å; P90-H93 WeakPolarHBondContact CA-CE1 3.37Å; H93-I95 VanDerWaalsContact C-N 3.34Å; H93-I95 PolarHBondContact CE1-O 3.37Å; H93-I95 PolarHBondContact ND1-N 3.48Å; H93-I95 VanDerWaalsContact ND1-N 3.18Å; H93-I95 PolarHBondContact O-N 3.41Å; H93-V125 WeakPolarHBondContact O-CG2 3.26Å; H93-A127 HydrophobicContact CB-CB 3.78Å
94	G	97.4	Very high	97.5	Very high	4 Å²	4	18.8 Å²	18.8	4%	0.041	11%	0.106	C	C	.	.	S	Bend	trans	84.1	-11.4	169.2	0	0	0	0	0	116.4	P90 V96 R323	P90-G94 PolarHBondContact O-N 3.07Å; G94-V96 PolarHBondContact O-N 3.1Å; G94-R323 WeakPolarHBondContact O-CD 3.43Å; G94-R323 PolarHBondContact O-NH1 3.03Å
95	I	97.9	Very high	97.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.			trans	-77.9	93.4	163.7	-52.9	-54.8	0	0	0	109.6	F78 P79 F82 H93 F100 F122 Y123 I147	F78-I95 HydrophobicContact CB-CG2 3.99Å; P79-I95 WeakPolarHBondContact CB-O 3.38Å; P79-I95 HydrophobicContact CG-CG2 4.47Å; F82-I95 HydrophobicContact CB-CB 4.35Å; F82-I95 HydrophobicContact CB-CG1 4.28Å; F82-I95 HydrophobicContact CD1-CB 4.21Å; F82-I95 HydrophobicContact CD1-CG1 3.56Å; F82-I95 HydrophobicContact CE1-CG1 4Å; F82-I95 HydrophobicContact CG-CG1 3.97Å; H93-I95 VanDerWaalsContact C-N 3.34Å; H93-I95 PolarHBondContact CE1-O 3.37Å; H93-I95 PolarHBondContact ND1-N 3.48Å; H93-I95 VanDerWaalsContact ND1-N 3.18Å; H93-I95 PolarHBondContact O-N 3.41Å; I95-F100 HydrophobicContact CD1-CE1 4.22Å; I95-F100 HydrophobicContact CD1-CZ 4.14Å; I95-F100 HydrophobicContact CG2-CE1 4.38Å; I95-F122 WeakPolarHBondContact CD1-O 3.32Å; I95-Y123 HydrophobicContact CD1-CD1 3.76Å; I95-Y123 HydrophobicContact CD1-CE1 3.88Å; I95-Y123 HydrophobicContact CG1-CD1 4.31Å; I95-I147 HydrophobicContact CB-CD1 4.41Å; I95-I147 HydrophobicContact CG1-CD1 4.14Å; I95-I147 HydrophobicContact CG2-CD1 3.63Å
96	V	97.8	Very high	97.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.149	C	C	.	.			trans	-100.2	-9.2	-168.9	-63.1	0	0	0	0	114.6	G94 F100 Y318 R323 V324	G94-V96 PolarHBondContact O-N 3.1Å; V96-F100 HydrophobicContact CG2-CB 3.79Å; V96-F100 HydrophobicContact CG2-CD1 4.04Å; V96-F100 HydrophobicContact CG2-CD2 4.28Å; V96-F100 HydrophobicContact CG2-CG 3.78Å; V96-Y318 HydrophobicContact CB-CE2 3.68Å; V96-Y318 HydrophobicContact CG1-CE2 4.18Å; V96-Y318 VanDerWaalsContact O-CE2 3.26Å; V96-Y318 WeakPolarHBondContact O-CE2 3.35Å; V96-Y318 PolarHBondContact O-OH 2.9Å; V96-R323 HydrophobicContact CG1-CB 4.3Å; V96-R323 HydrophobicContact CG2-CB 3.64Å; V96-V324 HydrophobicContact CB-CG2 4.02Å; V96-V324 HydrophobicContact CG1-CG2 3.83Å; V96-V324 HydrophobicContact CG2-CG2 4.37Å
97	D	97.5	Very high	97	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.059	16%	0.158	C	C	.	.	S	Bend	trans	-160.6	167.5	179	-157.6	-44.7	0	0	0	108.6	L76 V99 F100	L76-D97 VanDerWaalsContact CD1-OD1 3.26Å; L76-D97 WeakPolarHBondContact CD1-OD1 3.21Å; D97-V99 PolarHBondContact O-N 3Å; D97-V99 PolarHBondContact OD1-N 3.5Å; D97-F100 HydrophobicContact CB-CB 4.07Å; D97-F100 HydrophobicContact CB-CD1 4.37Å; D97-F100 WeakPolarHBondContact O-CD1 3.35Å
98	N	96.4	Very high	96.9	Very high	29 Å²	29	31 Å²	31	16%	0.155	18%	0.178	C	C	.	.	S	Bend	trans	-66.6	-25.7	165	-74.3	-12.9	0	0	0	111.6	F78 S111	F78-N98 WeakPolarHBondContact CB-OD1 3.46Å; F78-N98 PolarHBondContact N-OD1 3.16Å; N98-S111 WeakPolarHBondContact O-CB 3.29Å; N98-S111 PolarHBondContact O-N 3.44Å; N98-S111 PolarHBondContact O-OG 3.01Å
99	V	96.9	Very high	96.9	Very high	40 Å²	40	30.1 Å²	30.1	24%	0.242	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	115.2	174.1	-170	0	0	0	0	109.5	D97 T108 F109 A272	D97-V99 PolarHBondContact O-N 3Å; D97-V99 PolarHBondContact OD1-N 3.5Å; V99-T108 HydrophobicContact CG1-CG2 4.07Å; V99-F109 WeakPolarHBondContact CA-O 3.44Å; V99-F109 VanDerWaalsContact CG1-O 3.22Å; V99-F109 WeakPolarHBondContact CG1-O 3.37Å; V99-A272 HydrophobicContact CG1-CB 4.06Å; V99-A272 WeakPolarHBondContact O-CB 3.26Å
100	F	97.2	Very high	96.8	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.2	-178.6	62.1	-95.8	0	0	0	112.5	I95 V96 D97 T108 F109 F122 A272 R323	I95-F100 HydrophobicContact CD1-CE1 4.22Å; I95-F100 HydrophobicContact CD1-CZ 4.14Å; I95-F100 HydrophobicContact CG2-CE1 4.38Å; V96-F100 HydrophobicContact CG2-CB 3.79Å; V96-F100 HydrophobicContact CG2-CD1 4.04Å; V96-F100 HydrophobicContact CG2-CD2 4.28Å; V96-F100 HydrophobicContact CG2-CG 3.78Å; D97-F100 HydrophobicContact CB-CB 4.07Å; D97-F100 HydrophobicContact CB-CD1 4.37Å; D97-F100 WeakPolarHBondContact O-CD1 3.35Å; F100-T108 CarbonylContact O-C 3.54Å; F100-T108 WeakPolarHBondContact O-CA 3.3Å; F100-T108 WeakPolarHBondContact O-CG2 3.09Å; F100-F109 HydrophobicContact CD1-CB 3.79Å; F100-F109 AromaticContact CD1-CD1 3.63Å; F100-F109 HydrophobicContact CD1-CD1 3.63Å; F100-F109 AromaticContact CD1-CG 3.96Å; F100-F109 HydrophobicContact CD1-CG 3.96Å; F100-F109 HydrophobicContact CD2-CB 3.89Å; F100-F109 HydrophobicContact CE1-CB 3.49Å; F100-F109 VanDerWaalsContact CE1-CB 3.49Å; F100-F109 AromaticContact CE1-CD1 3.25Å; F100-F109 HydrophobicContact CE1-CD1 3.25Å; F100-F109 HydrophobicContact CE1-CD2 4.2Å; F100-F109 HydrophobicContact CE1-CE1 4.02Å; F100-F109 AromaticContact CE1-CG 3.36Å; F100-F109 HydrophobicContact CE1-CG 3.36Å; F100-F109 HydrophobicContact CE2-CB 3.57Å; F100-F109 HydrophobicContact CE2-CG 4.25Å; F100-F109 HydrophobicContact CG-CB 3.99Å; F100-F109 HydrophobicContact CZ-CB 3.37Å; F100-F109 AromaticContact CZ-CD1 3.95Å; F100-F109 HydrophobicContact CZ-CD1 3.95Å; F100-F109 HydrophobicContact CZ-CD2 4.11Å; F100-F109 AromaticContact CZ-CG 3.53Å; F100-F109 HydrophobicContact CZ-CG 3.53Å; F100-F109 PolarHBondContact N-O 3.19Å; F100-F109 PolarHBondContact O-N 2.8Å; F100-F122 AromaticContact CE2-CD1 3.89Å; F100-F122 HydrophobicContact CE2-CD1 3.89Å; F100-F122 HydrophobicContact CE2-CE1 4.31Å; F100-F122 HydrophobicContact CZ-CD1 4.06Å; F100-A272 VanDerWaalsContact CA-CB 3.41Å; F100-R323 HydrophobicContact CD2-CB 3.99Å; F100-R323 HydrophobicContact CD2-CG 4.06Å; F100-R323 HydrophobicContact CE2-CB 4.33Å; F100-R323 VanDerWaalsContact CE2-CD 3.45Å; F100-R323 HydrophobicContact CE2-CG 3.98Å
101	Y	96.9	Very high	96.2	Very high	38 Å²	38	32.6 Å²	32.6	15%	0.149	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.9	174.1	172.1	-111	0	0	0	109.2	P103 N106 A107 W283	Y101-P103 HydrophobicContact CE1-CB 3.88Å; Y101-N106 WeakPolarHBondContact CE2-OD1 3.46Å; Y101-N106 PolarHBondContact OH-OD1 2.86Å; Y101-A107 WeakPolarHBondContact CD2-O 3.35Å; Y101-W283 HydrophobicContact CD1-CG 4.46Å; Y101-W283 AromaticContact CD1-NE1 3.9Å
102	D	96.9	Very high	95.8	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.032	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.4	172.6	-171.5	-39.2	0	0	0	109.1	I104 I105 N106 A107 F122 R323	D102-I104 VanDerWaalsContact C-N 3.32Å; D102-I104 PolarHBondContact O-N 2.99Å; D102-I104 WeakPolarHBondContact OD1-CB 3.08Å; D102-I104 PolarHBondContact OD1-N 3.41Å; D102-I105 HydrophobicContact CB-CD1 4.21Å; D102-I105 HydrophobicContact CB-CG1 3.74Å; D102-I105 PolarHBondContact OD1-N 3.02Å; D102-N106 VanDerWaalsContact O-CA 3.25Å; D102-N106 WeakPolarHBondContact O-CA 3.35Å; D102-N106 PolarHBondContact O-N 3.49Å; D102-A107 PolarHBondContact N-O 3.34Å; D102-A107 PolarHBondContact O-N 3.36Å; D102-F122 HydrophobicContact CB-CE1 4.22Å; D102-R323 HydrophobicContact CB-CG 4.15Å; D102-R323 IonicContact OD2-CZ 3.61Å; D102-R323 IonicContact OD2-NE 3.68Å; D102-R323 PolarHBondContact OD2-NE 3.49Å; D102-R323 IonicContact OD2-NH2 3.17Å; D102-R323 PolarHBondContact OD2-NH2 2.84Å; D102-R323 VanDerWaalsContact OD2-NH2 3.08Å
103	P	95.2	Very high	95.5	Very high	43 Å²	43	44.2 Å²	44.2	28%	0.279	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.8	-178	32.4	-37.9	0	0	0	113.4	Y101 W283 D322	Y101-P103 HydrophobicContact CE1-CB 3.88Å; P103-W283 HydrophobicContact CB-CH2 4.25Å; P103-W283 HydrophobicContact CB-CZ3 4.43Å; P103-W283 HydrophobicContact CG-CH2 3.64Å; P103-W283 HydrophobicContact CG-CZ2 3.93Å; P103-W283 HydrophobicContact CG-CZ3 4.24Å; P103-D322 WeakPolarHBondContact CG-O 3.47Å
104	I	95.4	Very high	95.4	Very high	126 Å²	126	47.6 Å²	47.6	65%	0.646	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-45.6	-176.6	-63.2	174.2	0	0	0	109.6	D102 D322	D102-I104 VanDerWaalsContact C-N 3.32Å; D102-I104 PolarHBondContact O-N 2.99Å; D102-I104 WeakPolarHBondContact OD1-CB 3.08Å; D102-I104 PolarHBondContact OD1-N 3.41Å; I104-D322 HydrophobicContact CD1-CB 4.09Å
105	I	95.7	Very high	95.3	Very high	50 Å²	50	50.8 Å²	50.8	26%	0.256	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0.3	177.7	66.1	173.9	0	0	0	113	D102 A107 R121 F122	D102-I105 HydrophobicContact CB-CD1 4.21Å; D102-I105 HydrophobicContact CB-CG1 3.74Å; D102-I105 PolarHBondContact OD1-N 3.02Å; I105-A107 VanDerWaalsContact C-N 3.31Å; I105-A107 HydrophobicContact CD1-CB 4.07Å; I105-A107 HydrophobicContact CG1-CB 3.95Å; I105-A107 PolarHBondContact O-N 2.95Å; I105-R121 HydrophobicContact CD1-CB 3.9Å; I105-F122 HydrophobicContact CD1-CD1 4.09Å; I105-F122 HydrophobicContact CD1-CE1 3.71Å; I105-F122 HydrophobicContact CD1-CE2 4.32Å; I105-F122 HydrophobicContact CD1-CZ 3.85Å
106	N	94.8	Very high	95.2	Very high	118 Å²	118	51.1 Å²	51.1	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	49.3	-178	-171.4	30.9	0	0	0	112.9	Y101 D102	Y101-N106 WeakPolarHBondContact CE2-OD1 3.46Å; Y101-N106 PolarHBondContact OH-OD1 2.86Å; D102-N106 VanDerWaalsContact O-CA 3.25Å; D102-N106 WeakPolarHBondContact O-CA 3.35Å; D102-N106 PolarHBondContact O-N 3.49Å
107	A	95.9	Very high	95.1	Very high	25 Å²	25	51.8 Å²	51.8	21%	0.207	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.9	-177.1	0	0	0	0	0	111.3	Y101 D102 I105 F122	Y101-A107 WeakPolarHBondContact CD2-O 3.35Å; D102-A107 PolarHBondContact N-O 3.34Å; D102-A107 PolarHBondContact O-N 3.36Å; I105-A107 VanDerWaalsContact C-N 3.31Å; I105-A107 HydrophobicContact CD1-CB 4.07Å; I105-A107 HydrophobicContact CG1-CB 3.95Å; I105-A107 PolarHBondContact O-N 2.95Å; A107-F122 HydrophobicContact CB-CE1 4.39Å; A107-F122 HydrophobicContact CB-CZ 3.73Å
108	T	96.7	Very high	95	Very high	67 Å²	67	54 Å²	54	41%	0.411	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.7	177.1	-59.9	0	0	0	0	109.6	V99 F100 A272	V99-T108 HydrophobicContact CG1-CG2 4.07Å; F100-T108 CarbonylContact O-C 3.54Å; F100-T108 WeakPolarHBondContact O-CA 3.3Å; F100-T108 WeakPolarHBondContact O-CG2 3.09Å; T108-A272 HydrophobicContact CG2-CB 3.99Å
109	F	97.4	Very high	95.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.3	167.3	179.7	-98.1	0	0	0	110.2	F78 V99 F100 F122 Y123	F78-F109 AromaticContact CD1-CE1 3.79Å; F78-F109 HydrophobicContact CD1-CE1 3.79Å; F78-F109 AromaticContact CD1-CZ 3.71Å; F78-F109 HydrophobicContact CD1-CZ 3.71Å; F78-F109 HydrophobicContact CE1-CE1 4.37Å; F78-F109 HydrophobicContact CE1-CZ 4.01Å; V99-F109 WeakPolarHBondContact CA-O 3.44Å; V99-F109 VanDerWaalsContact CG1-O 3.22Å; V99-F109 WeakPolarHBondContact CG1-O 3.37Å; F100-F109 HydrophobicContact CD1-CB 3.79Å; F100-F109 AromaticContact CD1-CD1 3.63Å; F100-F109 HydrophobicContact CD1-CD1 3.63Å; F100-F109 AromaticContact CD1-CG 3.96Å; F100-F109 HydrophobicContact CD1-CG 3.96Å; F100-F109 HydrophobicContact CD2-CB 3.89Å; F100-F109 HydrophobicContact CE1-CB 3.49Å; F100-F109 VanDerWaalsContact CE1-CB 3.49Å; F100-F109 AromaticContact CE1-CD1 3.25Å; F100-F109 HydrophobicContact CE1-CD1 3.25Å; F100-F109 HydrophobicContact CE1-CD2 4.2Å; F100-F109 HydrophobicContact CE1-CE1 4.02Å; F100-F109 AromaticContact CE1-CG 3.36Å; F100-F109 HydrophobicContact CE1-CG 3.36Å; F100-F109 HydrophobicContact CE2-CB 3.57Å; F100-F109 HydrophobicContact CE2-CG 4.25Å; F100-F109 HydrophobicContact CG-CB 3.99Å; F100-F109 HydrophobicContact CZ-CB 3.37Å; F100-F109 AromaticContact CZ-CD1 3.95Å; F100-F109 HydrophobicContact CZ-CD1 3.95Å; F100-F109 HydrophobicContact CZ-CD2 4.11Å; F100-F109 AromaticContact CZ-CG 3.53Å; F100-F109 HydrophobicContact CZ-CG 3.53Å; F100-F109 PolarHBondContact N-O 3.19Å; F100-F109 PolarHBondContact O-N 2.8Å; F109-F122 HydrophobicContact CB-CD1 3.77Å; F109-F122 HydrophobicContact CB-CE1 3.73Å; F109-F122 HydrophobicContact CB-CG 4.34Å; F109-F122 HydrophobicContact CB-CZ 4.31Å; F109-F122 HydrophobicContact CD2-CB 3.91Å; F109-F122 HydrophobicContact CD2-CD1 4.04Å; F109-F122 HydrophobicContact CD2-CD2 4.16Å; F109-F122 AromaticContact CD2-CG 3.77Å; F109-F122 HydrophobicContact CD2-CG 3.77Å; F109-F122 HydrophobicContact CE2-CB 4.42Å; F109-F122 HydrophobicContact CG-CD1 4.36Å; F109-Y123 HydrophobicContact CE2-CE1 4.21Å; F109-Y123 HydrophobicContact CE2-CE2 4.34Å; F109-Y123 AromaticContact CE2-CZ 3.7Å; F109-Y123 VanDerWaalsContact CE2-OH 3.27Å; F109-Y123 WeakPolarHBondContact CE2-OH 3.39Å; F109-Y123 HydrophobicContact CZ-CE1 4.49Å
110	S	95.7	Very high	95.1	Very high	28 Å²	28	53.9 Å²	53.9	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	122.4	169.8	175.7	0	0	0	0	110.2	R112 N113 T116	S110-R112 PolarHBondContact O-N 2.95Å; S110-R112 PolarHBondContact OG-N 3.36Å; S110-N113 PolarHBondContact O-N 3.27Å; S110-T116 PolarHBondContact N-OG1 2.99Å; S110-T116 PolarHBondContact O-OG1 3.1Å
111	S	87.2	Confident	95.1	Very high	35 Å²	35	60.5 Å²	60.5	25%	0.245	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.6	176	57.2	0	0	0	0	114.2	N98	N98-S111 WeakPolarHBondContact O-CB 3.29Å; N98-S111 PolarHBondContact O-N 3.44Å; N98-S111 PolarHBondContact O-OG 3.01Å
112	R	87.4	Confident	95.2	Very high	234 Å²	234	58.8 Å²	58.8	88%	0.883	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.2	-178.5	-61.4	-175.3	179.3	179.4	0.2	113.9	S110	S110-R112 PolarHBondContact O-N 2.95Å; S110-R112 PolarHBondContact OG-N 3.36Å
113	N	92.5	Very high	95.2	Very high	72 Å²	72	58.7 Å²	58.7	39%	0.385	31%	0.307	S	S	.	.			trans	-108.2	118.5	-176.4	-175.4	2.4	0	0	0	111	S110 S115 T116 A117	S110-N113 PolarHBondContact O-N 3.27Å; N113-S115 PolarHBondContact ND2-OG 2.8Å; N113-S115 PolarHBondContact O-N 3.27Å; N113-S115 PolarHBondContact OD1-N 3.25Å; N113-S115 PolarHBondContact OD1-OG 3.45Å; N113-T116 PolarHBondContact O-N 3.36Å; N113-T116 VanDerWaalsContact O-N 3.13Å; N113-T116 PolarHBondContact O-OG1 2.77Å; N113-A117 PolarHBondContact O-N 3.44Å; N113-A117 VanDerWaalsContact O-N 3.13Å
114	Q	93.8	Very high	95.3	Very high	72 Å²	72	60 Å²	60	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-57.2	-34.8	177.7	-173.5	56.6	33.2	0	0	112.8	T116 A117 T118 E150 P164	Q114-T116 VanDerWaalsContact C-N 3.27Å; Q114-T116 PolarHBondContact O-N 2.9Å; Q114-A117 WeakPolarHBondContact O-CB 3.32Å; Q114-A117 PolarHBondContact O-N 2.93Å; Q114-A117 VanDerWaalsContact O-N 3.16Å; Q114-T118 PolarHBondContact O-N 3.48Å; Q114-T118 PolarHBondContact O-OG1 3.25Å; Q114-E150 PolarHBondContact NE2-OE2 2.68Å; Q114-P164 HydrophobicContact CG-CB 4.35Å
115	S	95.7	Very high	95.3	Very high	70 Å²	70	57.1 Å²	57.1	49%	0.49	30%	0.3	S	S	.	.	H	α-helix	trans	-65.7	-32.8	-178.9	75.4	0	0	0	0	112.3	N113 T118 D119	N113-S115 PolarHBondContact ND2-OG 2.8Å; N113-S115 PolarHBondContact O-N 3.27Å; N113-S115 PolarHBondContact OD1-N 3.25Å; N113-S115 PolarHBondContact OD1-OG 3.45Å; S115-T118 PolarHBondContact O-OG1 3.06Å; S115-D119 WeakPolarHBondContact O-CB 3.14Å
116	T	96.6	Very high	95	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.043	32%	0.316	C	S	.	.	H	α-helix	trans	-84.7	-20.1	175.9	51.5	0	0	0	0	112.3	S110 N113 Q114 T118 F122 Y123	S110-T116 PolarHBondContact N-OG1 2.99Å; S110-T116 PolarHBondContact O-OG1 3.1Å; N113-T116 PolarHBondContact O-N 3.36Å; N113-T116 VanDerWaalsContact O-N 3.13Å; N113-T116 PolarHBondContact O-OG1 2.77Å; Q114-T116 VanDerWaalsContact C-N 3.27Å; Q114-T116 PolarHBondContact O-N 2.9Å; T116-T118 VanDerWaalsContact C-N 3.32Å; T116-F122 HydrophobicContact CG2-CD2 4.39Å; T116-F122 HydrophobicContact CG2-CE2 3.75Å; T116-F122 HydrophobicContact CG2-CZ 4.26Å; T116-Y123 VanDerWaalsContact O-CE2 3.26Å; T116-Y123 WeakPolarHBondContact O-CE2 3.48Å; T116-Y123 PolarHBondContact O-OH 2.99Å
117	A	95.3	Very high	95.1	Very high	15 Å²	15	51.9 Å²	51.9	12%	0.124	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-36.7	173.1	0	0	0	0	0	112.2	N113 Q114 Y123	N113-A117 PolarHBondContact O-N 3.44Å; N113-A117 VanDerWaalsContact O-N 3.13Å; Q114-A117 WeakPolarHBondContact O-CB 3.32Å; Q114-A117 PolarHBondContact O-N 2.93Å; Q114-A117 VanDerWaalsContact O-N 3.16Å; A117-Y123 WeakPolarHBondContact O-CE2 3.33Å
118	T	96.3	Very high	95.2	Very high	59 Å²	59	51.8 Å²	51.8	36%	0.362	28%	0.282	S	S	.	.	S	Bend	trans	-94.9	-7.2	-178.3	57.1	0	0	0	0	114.6	Q114 S115 T116 S120 E150	Q114-T118 PolarHBondContact O-N 3.48Å; Q114-T118 PolarHBondContact O-OG1 3.25Å; S115-T118 PolarHBondContact O-OG1 3.06Å; T116-T118 VanDerWaalsContact C-N 3.32Å; T118-S120 PolarHBondContact O-N 3.28Å; T118-E150 HydrophobicContact CG2-CB 4.16Å
119	D	97.4	Very high	95.3	Very high	32 Å²	32	48.6 Å²	48.6	17%	0.171	26%	0.262	C	S	.	.			trans	-86.1	100.2	-174	-176.9	-4.3	0	0	0	111.5	S115 R121 F122 Y123	S115-D119 WeakPolarHBondContact O-CB 3.14Å; D119-R121 PolarHBondContact O-N 2.95Å; D119-R121 WeakPolarHBondContact OD1-CB 3.28Å; D119-R121 WeakPolarHBondContact OD1-CG 3.2Å; D119-R121 IonicContact OD1-CZ 3.75Å; D119-R121 PolarHBondContact OD1-N 3.17Å; D119-R121 VanDerWaalsContact OD1-N 3.09Å; D119-R121 IonicContact OD1-NE 2.59Å; D119-R121 PolarHBondContact OD1-NE 3.11Å; D119-R121 IonicContact OD1-NH2 3.14Å; D119-R121 IonicContact OD2-CZ 3.44Å; D119-R121 IonicContact OD2-NE 3.02Å; D119-R121 PolarHBondContact OD2-NE 3.09Å; D119-R121 IonicContact OD2-NH2 3.45Å; D119-R121 PolarHBondContact OD2-NH2 3.35Å; D119-F122 HydrophobicContact CB-CD2 3.91Å; D119-F122 HydrophobicContact CB-CE2 4.25Å; D119-F122 PolarHBondContact O-N 3.01Å; D119-F122 VanDerWaalsContact O-N 3.09Å; D119-Y123 WeakPolarHBondContact O-CD2 3.27Å
120	S	97.6	Very high	95.3	Very high	33 Å²	33	48.6 Å²	48.6	23%	0.231	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-53	-25.3	179.9	-68.6	0	0	0	0	114.7	T118 F122 Y123 D124 I152	T118-S120 PolarHBondContact O-N 3.28Å; S120-F122 PolarHBondContact O-N 2.75Å; S120-F122 VanDerWaalsContact O-N 3.11Å; S120-Y123 PolarHBondContact O-N 3.39Å; S120-D124 WeakPolarHBondContact O-CB 3.3Å; S120-D124 PolarHBondContact O-N 2.98Å; S120-I152 WeakPolarHBondContact CB-O 3.38Å; S120-I152 WeakPolarHBondContact OG-CA 3.24Å; S120-I152 WeakPolarHBondContact OG-CB 3.43Å; S120-I152 PolarHBondContact OG-N 3.17Å; S120-I152 PolarHBondContact OG-O 3.11Å
121	R	97.4	Very high	95.5	Very high	140 Å²	140	47.3 Å²	47.3	53%	0.528	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23.7	179.2	-60.8	175.1	-64.9	167.8	2	112.7	I105 D119 R323	I105-R121 HydrophobicContact CD1-CB 3.9Å; D119-R121 PolarHBondContact O-N 2.95Å; D119-R121 WeakPolarHBondContact OD1-CB 3.28Å; D119-R121 WeakPolarHBondContact OD1-CG 3.2Å; D119-R121 IonicContact OD1-CZ 3.75Å; D119-R121 PolarHBondContact OD1-N 3.17Å; D119-R121 VanDerWaalsContact OD1-N 3.09Å; D119-R121 IonicContact OD1-NE 2.59Å; D119-R121 PolarHBondContact OD1-NE 3.11Å; D119-R121 IonicContact OD1-NH2 3.14Å; D119-R121 IonicContact OD2-CZ 3.44Å; D119-R121 IonicContact OD2-NE 3.02Å; D119-R121 PolarHBondContact OD2-NE 3.09Å; D119-R121 IonicContact OD2-NH2 3.45Å; D119-R121 PolarHBondContact OD2-NH2 3.35Å; R121-R323 PolarHBondContact O-NH2 3.07Å
122	F	97.8	Very high	96	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-82.2	-24.7	174.8	-67.7	-70.5	0	0	0	113.7	I95 F100 D102 I105 A107 F109 T116 D119 S120 R323	I95-F122 WeakPolarHBondContact CD1-O 3.32Å; F100-F122 AromaticContact CE2-CD1 3.89Å; F100-F122 HydrophobicContact CE2-CD1 3.89Å; F100-F122 HydrophobicContact CE2-CE1 4.31Å; F100-F122 HydrophobicContact CZ-CD1 4.06Å; D102-F122 HydrophobicContact CB-CE1 4.22Å; I105-F122 HydrophobicContact CD1-CD1 4.09Å; I105-F122 HydrophobicContact CD1-CE1 3.71Å; I105-F122 HydrophobicContact CD1-CE2 4.32Å; I105-F122 HydrophobicContact CD1-CZ 3.85Å; A107-F122 HydrophobicContact CB-CE1 4.39Å; A107-F122 HydrophobicContact CB-CZ 3.73Å; F109-F122 HydrophobicContact CB-CD1 3.77Å; F109-F122 HydrophobicContact CB-CE1 3.73Å; F109-F122 HydrophobicContact CB-CG 4.34Å; F109-F122 HydrophobicContact CB-CZ 4.31Å; F109-F122 HydrophobicContact CD2-CB 3.91Å; F109-F122 HydrophobicContact CD2-CD1 4.04Å; F109-F122 HydrophobicContact CD2-CD2 4.16Å; F109-F122 AromaticContact CD2-CG 3.77Å; F109-F122 HydrophobicContact CD2-CG 3.77Å; F109-F122 HydrophobicContact CE2-CB 4.42Å; F109-F122 HydrophobicContact CG-CD1 4.36Å; T116-F122 HydrophobicContact CG2-CD2 4.39Å; T116-F122 HydrophobicContact CG2-CE2 3.75Å; T116-F122 HydrophobicContact CG2-CZ 4.26Å; D119-F122 HydrophobicContact CB-CD2 3.91Å; D119-F122 HydrophobicContact CB-CE2 4.25Å; D119-F122 PolarHBondContact O-N 3.01Å; D119-F122 VanDerWaalsContact O-N 3.09Å; S120-F122 PolarHBondContact O-N 2.75Å; S120-F122 VanDerWaalsContact O-N 3.11Å; F122-R323 PolarHBondContact O-NH1 2.97Å; F122-R323 PolarHBondContact O-NH2 2.69Å
123	Y	97.7	Very high	96.6	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.016	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-35.6	-170.8	-57.4	-82.2	0	0	0	113.6	F82 I95 F109 T116 A117 D119 S120 V125 I147 A151 I153	F82-Y123 HydrophobicContact CE2-CD1 4.43Å; F82-Y123 HydrophobicContact CZ-CD1 4.43Å; I95-Y123 HydrophobicContact CD1-CD1 3.76Å; I95-Y123 HydrophobicContact CD1-CE1 3.88Å; I95-Y123 HydrophobicContact CG1-CD1 4.31Å; F109-Y123 HydrophobicContact CE2-CE1 4.21Å; F109-Y123 HydrophobicContact CE2-CE2 4.34Å; F109-Y123 AromaticContact CE2-CZ 3.7Å; F109-Y123 VanDerWaalsContact CE2-OH 3.27Å; F109-Y123 WeakPolarHBondContact CE2-OH 3.39Å; F109-Y123 HydrophobicContact CZ-CE1 4.49Å; T116-Y123 VanDerWaalsContact O-CE2 3.26Å; T116-Y123 WeakPolarHBondContact O-CE2 3.48Å; T116-Y123 PolarHBondContact O-OH 2.99Å; A117-Y123 WeakPolarHBondContact O-CE2 3.33Å; D119-Y123 WeakPolarHBondContact O-CD2 3.27Å; S120-Y123 PolarHBondContact O-N 3.39Å; Y123-V125 PolarHBondContact O-N 3.42Å; Y123-I147 HydrophobicContact CE1-CD1 4.13Å; Y123-I147 HydrophobicContact CE1-CG1 3.72Å; Y123-A151 HydrophobicContact CD2-CB 3.29Å; Y123-A151 HydrophobicContact CE2-CB 3.78Å; Y123-A151 HydrophobicContact CG-CB 3.96Å; Y123-I153 HydrophobicContact CG-CD1 4.49Å
124	D	96.6	Very high	96.9	Very high	70 Å²	70	31 Å²	31	37%	0.374	18%	0.181	S	C	.	.			trans	-86.7	59.1	-175.4	-160.3	23.9	0	0	0	111.5	S120 K154	S120-D124 WeakPolarHBondContact O-CB 3.3Å; S120-D124 PolarHBondContact O-N 2.98Å; D124-K154 VanDerWaalsContact CG-N 3.32Å; D124-K154 PolarHBondContact OD1-N 3.18Å; D124-K154 PolarHBondContact OD2-N 2.73Å
125	V	95.1	Very high	97.1	Very high	67 Å²	67	28.8 Å²	28.8	41%	0.406	17%	0.17	S	C	.	.	S	Bend	trans	-115.1	29.2	-177.5	-65	0	0	0	0	112.9	H93 Y123 R323	H93-V125 WeakPolarHBondContact O-CG2 3.26Å; Y123-V125 PolarHBondContact O-N 3.42Å; V125-R323 VanDerWaalsContact CG1-NH2 3.27Å
126	G	89.9	Confident	97.2	Very high	58 Å²	58	30.5 Å²	30.5	60%	0.598	17%	0.169	S	C	*	.	S	Bend	trans	104.8	-8	178.5	0	0	0	0	0	114.8
127	A	96.4	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.			trans	-76.8	147	171.3	0	0	0	0	0	111.6	F82 T86 L88 H93 I153	F82-A127 HydrophobicContact CE1-CB 3.69Å; F82-A127 HydrophobicContact CZ-CB 4.13Å; T86-A127 HydrophobicContact CG2-CB 4.03Å; L88-A127 HydrophobicContact CD1-CB 4.01Å; H93-A127 HydrophobicContact CB-CB 3.78Å; A127-I153 WeakPolarHBondContact O-CG2 3.28Å
128	E	98.4	Very high	97.4	Very high	23 Å²	23	36.1 Å²	36.1	11%	0.107	21%	0.21	C	C	.	.			trans	-128.7	103.2	174.1	-172	175.3	122.5	0	0	109.8	V132 T133 K154 A403	E128-V132 HydrophobicContact CG-CB 3.89Å; E128-V132 HydrophobicContact CG-CG1 3.77Å; E128-T133 WeakPolarHBondContact OE1-CA 3.42Å; E128-T133 WeakPolarHBondContact OE1-CB 3.39Å; E128-T133 PolarHBondContact OE1-OG1 2.88Å; E128-K154 HydrophobicContact CB-CD 4.1Å; E128-K154 HydrophobicContact CG-CD 4Å; E128-K154 VanDerWaalsContact OE2-CD 3.26Å; E128-K154 WeakPolarHBondContact OE2-CD 3.16Å; E128-K154 WeakPolarHBondContact OE2-CE 3.46Å; E128-K154 IonicContact OE2-NZ 2.77Å; E128-K154 PolarHBondContact OE2-NZ 3.12Å; E128-A403 HydrophobicContact CB-CB 3.77Å; E128-A403 HydrophobicContact CG-CB 4.14Å
129	P	98.7	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.			trans	-68.6	154.3	176.4	-23.5	35.1	0	0	0	112.4	F82 V85 T86 W131 V132 T133 I153	F82-P129 HydrophobicContact CE2-CG 3.65Å; F82-P129 HydrophobicContact CZ-CG 3.85Å; V85-P129 HydrophobicContact CB-CB 4.46Å; V85-P129 HydrophobicContact CG2-CB 4.16Å; V85-P129 CarbonylContact O-C 3.58Å; V85-P129 VanDerWaalsContact O-CA 3.24Å; V85-P129 WeakPolarHBondContact O-CA 3.38Å; T86-P129 HydrophobicContact CG2-CB 4.33Å; T86-P129 HydrophobicContact CG2-CG 4.02Å; P129-W131 HydrophobicContact CB-CD2 3.59Å; P129-W131 HydrophobicContact CB-CE3 3.69Å; P129-W131 HydrophobicContact CB-CG 4.41Å; P129-W131 HydrophobicContact CB-CH2 3.43Å; P129-W131 VanDerWaalsContact CB-CH2 3.43Å; P129-W131 HydrophobicContact CB-CZ2 3.31Å; P129-W131 HydrophobicContact CB-CZ3 3.63Å; P129-W131 HydrophobicContact CG-CH2 3.85Å; P129-W131 HydrophobicContact CG-CZ2 3.48Å; P129-W131 VanDerWaalsContact CG-CZ2 3.48Å; P129-W131 PolarHBondContact O-N 3.08Å; P129-V132 WeakPolarHBondContact O-CA 3.43Å; P129-V132 WeakPolarHBondContact O-CB 3.43Å; P129-V132 PolarHBondContact O-N 2.83Å; P129-T133 PolarHBondContact O-N 3.08Å; P129-I153 HydrophobicContact CG-CD1 3.68Å; P129-I153 HydrophobicContact CG-CG2 4.46Å
130	I	98.8	Very high	97.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.6	-31	-174.9	-169.8	62.4	0	0	0	113.8	V85 T133 N134 L189 L191 Y391 I394 C395 L400	V85-I130 HydrophobicContact CB-CG2 4.03Å; V85-I130 HydrophobicContact CG1-CG2 4.15Å; V85-I130 PolarHBondContact O-N 2.93Å; I130-T133 PolarHBondContact O-N 3.25Å; I130-N134 WeakPolarHBondContact O-CB 3.49Å; I130-N134 PolarHBondContact O-N 3.4Å; I130-L189 HydrophobicContact CB-CD2 4.38Å; I130-L189 HydrophobicContact CG1-CD2 3.8Å; I130-L189 HydrophobicContact CG2-CD2 3.94Å; I130-L191 HydrophobicContact CG2-CD1 3.98Å; I130-L191 HydrophobicContact CG2-CD2 4.44Å; I130-Y391 HydrophobicContact CB-CD2 4.01Å; I130-Y391 HydrophobicContact CB-CE2 3.97Å; I130-Y391 HydrophobicContact CD1-CD2 3.99Å; I130-Y391 HydrophobicContact CD1-CE2 3.71Å; I130-Y391 HydrophobicContact CG1-CD2 4.48Å; I130-Y391 HydrophobicContact CG1-CE2 4.43Å; I130-I394 HydrophobicContact CD1-CB 4.38Å; I130-I394 HydrophobicContact CD1-CG2 4Å; I130-I394 HydrophobicContact CG1-CB 4.31Å; I130-I394 HydrophobicContact CG1-CG2 3.71Å; I130-C395 WeakPolarHBondContact CD1-SG 3.36Å; I130-L400 HydrophobicContact CD1-CD1 3.91Å
131	W	98.7	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-34.9	175.6	57.7	84.3	0	0	0	112.7	V85 P129 Q135 S141 V143 W146 I147 I153 P158 L191	V85-W131 HydrophobicContact CB-CZ3 3.86Å; V85-W131 HydrophobicContact CG1-CZ3 4.02Å; V85-W131 HydrophobicContact CG2-CH2 3.93Å; V85-W131 HydrophobicContact CG2-CZ3 3.7Å; P129-W131 HydrophobicContact CB-CD2 3.59Å; P129-W131 HydrophobicContact CB-CE3 3.69Å; P129-W131 HydrophobicContact CB-CG 4.41Å; P129-W131 HydrophobicContact CB-CH2 3.43Å; P129-W131 VanDerWaalsContact CB-CH2 3.43Å; P129-W131 HydrophobicContact CB-CZ2 3.31Å; P129-W131 HydrophobicContact CB-CZ3 3.63Å; P129-W131 HydrophobicContact CG-CH2 3.85Å; P129-W131 HydrophobicContact CG-CZ2 3.48Å; P129-W131 VanDerWaalsContact CG-CZ2 3.48Å; P129-W131 PolarHBondContact O-N 3.08Å; W131-Q135 WeakPolarHBondContact O-CB 3.44Å; W131-Q135 VanDerWaalsContact O-CG 3.3Å; W131-Q135 WeakPolarHBondContact O-CG 3.4Å; W131-Q135 PolarHBondContact O-N 3.39Å; W131-Q135 PolarHBondContact O-OE1 2.85Å; W131-S141 WeakPolarHBondContact CA-OG 3.37Å; W131-S141 WeakPolarHBondContact CB-OG 3.5Å; W131-V143 HydrophobicContact CE3-CG2 4.43Å; W131-W146 HydrophobicContact CZ3-CG 4.47Å; W131-I147 WeakPolarHBondContact CH2-O 3.43Å; W131-I153 HydrophobicContact CZ2-CD1 4.23Å; W131-P158 HydrophobicContact CB-CB 4.47Å; W131-P158 HydrophobicContact CB-CG 4.24Å; W131-P158 HydrophobicContact CD2-CG 4.02Å; W131-P158 HydrophobicContact CG-CB 4.43Å; W131-P158 HydrophobicContact CG-CG 3.72Å; W131-L191 HydrophobicContact CE3-CD1 3.49Å; W131-L191 VanDerWaalsContact CE3-CD1 3.49Å; W131-L191 HydrophobicContact CZ3-CD1 3.81Å
132	V	98.8	Very high	97.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-49.5	174.3	178.3	0	0	0	0	109.4	E128 P129 N134 Q135 F136 I153 K154 E156	E128-V132 HydrophobicContact CG-CB 3.89Å; E128-V132 HydrophobicContact CG-CG1 3.77Å; P129-V132 WeakPolarHBondContact O-CA 3.43Å; P129-V132 WeakPolarHBondContact O-CB 3.43Å; P129-V132 PolarHBondContact O-N 2.83Å; V132-N134 VanDerWaalsContact C-N 3.27Å; V132-N134 PolarHBondContact O-N 2.84Å; V132-Q135 PolarHBondContact O-N 3.32Å; V132-Q135 VanDerWaalsContact O-N 3.11Å; V132-F136 HydrophobicContact CG1-CD2 3.98Å; V132-F136 HydrophobicContact CG1-CE1 4.18Å; V132-F136 HydrophobicContact CG1-CE2 3.47Å; V132-F136 VanDerWaalsContact CG1-CE2 3.47Å; V132-F136 HydrophobicContact CG1-CZ 3.58Å; V132-F136 PolarHBondContact O-N 2.81Å; V132-I153 HydrophobicContact CG2-CB 4.28Å; V132-K154 HydrophobicContact CG1-CB 4.2Å; V132-E156 HydrophobicContact CB-CB 4.47Å; V132-E156 HydrophobicContact CG1-CB 4.08Å; V132-E156 HydrophobicContact CG1-CG 4.4Å; V132-E156 HydrophobicContact CG2-CB 4.08Å
133	T	98.7	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55	-44.7	175.4	-54.7	0	0	0	0	111.1	E128 P129 I130 Q135 F136 H137 Y391 L400 E401	E128-T133 WeakPolarHBondContact OE1-CA 3.42Å; E128-T133 WeakPolarHBondContact OE1-CB 3.39Å; E128-T133 PolarHBondContact OE1-OG1 2.88Å; P129-T133 PolarHBondContact O-N 3.08Å; I130-T133 PolarHBondContact O-N 3.25Å; T133-Q135 PolarHBondContact O-N 2.81Å; T133-F136 PolarHBondContact O-N 2.8Å; T133-H137 PolarHBondContact O-N 3.4Å; T133-H137 PolarHBondContact O-ND1 3.07Å; T133-Y391 PolarHBondContact OG1-OH 2.93Å; T133-Y391 VanDerWaalsContact OG1-OH 3.07Å; T133-L400 HydrophobicContact CG2-CB 4.29Å; T133-L400 HydrophobicContact CG2-CD1 4.43Å; T133-E401 VanDerWaalsContact CG2-O 3.32Å; T133-E401 WeakPolarHBondContact CG2-O 3.12Å
134	N	98.7	Very high	97.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-40.3	178.4	-170	52.9	0	0	0	112.4	I130 V132 H137 H139 K140 S141 N188 L189 L400	I130-N134 WeakPolarHBondContact O-CB 3.49Å; I130-N134 PolarHBondContact O-N 3.4Å; V132-N134 VanDerWaalsContact C-N 3.27Å; V132-N134 PolarHBondContact O-N 2.84Å; N134-H137 PolarHBondContact O-N 2.83Å; N134-H139 WeakPolarHBondContact O-CB 3.19Å; N134-H139 PolarHBondContact O-N 2.97Å; N134-H139 VanDerWaalsContact OD1-CB 3.26Å; N134-H139 WeakPolarHBondContact OD1-CB 3.48Å; N134-K140 PolarHBondContact ND2-O 3.3Å; N134-S141 PolarHBondContact ND2-OG 2.76Å; N134-N188 PolarHBondContact ND2-OD1 2.89Å; N134-N188 PolarHBondContact OD1-ND2 3.32Å; N134-N188 PolarHBondContact OD1-OD1 3.22Å; N134-L189 HydrophobicContact CB-CD2 4.16Å; N134-L400 HydrophobicContact CB-CD1 4.13Å
135	Q	98.4	Very high	97.7	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.112	16%	0.162	C	C	.	.	H	α-helix	trans	-71.7	-35.1	177.3	-77	147.2	-153.9	0	0	113.5	W131 V132 T133 H137 G138 H139 E156 R157	W131-Q135 WeakPolarHBondContact O-CB 3.44Å; W131-Q135 VanDerWaalsContact O-CG 3.3Å; W131-Q135 WeakPolarHBondContact O-CG 3.4Å; W131-Q135 PolarHBondContact O-N 3.39Å; W131-Q135 PolarHBondContact O-OE1 2.85Å; V132-Q135 PolarHBondContact O-N 3.32Å; V132-Q135 VanDerWaalsContact O-N 3.11Å; T133-Q135 PolarHBondContact O-N 2.81Å; Q135-H137 PolarHBondContact O-N 2.83Å; Q135-G138 PolarHBondContact O-N 3.23Å; Q135-H139 WeakPolarHBondContact CA-O 3.32Å; Q135-E156 PolarHBondContact NE2-OE2 3.28Å; Q135-E156 VanDerWaalsContact NE2-OE2 3.11Å; Q135-R157 VanDerWaalsContact CD-O 3.26Å; Q135-R157 PolarHBondContact NE2-O 3.08Å; Q135-R157 PolarHBondContact OE1-O 3.29Å; Q135-R157 VanDerWaalsContact OE1-O 3.12Å
136	F	98.3	Very high	97.8	Very high	106 Å²	106	24.2 Å²	24.2	47%	0.465	14%	0.144	S	C	.	.	H	α-helix	trans	-62.9	-23.4	171.2	-69.6	-20.3	0	0	0	112.9	V132 T133 G138 K154 E156	V132-F136 HydrophobicContact CG1-CD2 3.98Å; V132-F136 HydrophobicContact CG1-CE1 4.18Å; V132-F136 HydrophobicContact CG1-CE2 3.47Å; V132-F136 VanDerWaalsContact CG1-CE2 3.47Å; V132-F136 HydrophobicContact CG1-CZ 3.58Å; V132-F136 PolarHBondContact O-N 2.81Å; T133-F136 PolarHBondContact O-N 2.8Å; F136-G138 VanDerWaalsContact C-N 3.3Å; F136-K154 HydrophobicContact CE2-CB 4.35Å; F136-K154 HydrophobicContact CE2-CD 4.24Å; F136-K154 HydrophobicContact CZ-CB 3.94Å; F136-E156 HydrophobicContact CD1-CG 4.31Å; F136-E156 HydrophobicContact CE1-CG 3.67Å; F136-E156 HydrophobicContact CZ-CG 4.33Å
137	H	97.7	Very high	98.1	Very high	71 Å²	71	22 Å²	22	33%	0.329	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	10.1	171.7	-68.8	74.6	0	0	0	113.4	T133 N134 Q135 L400 E401	T133-H137 PolarHBondContact O-N 3.4Å; T133-H137 PolarHBondContact O-ND1 3.07Å; N134-H137 PolarHBondContact O-N 2.83Å; Q135-H137 PolarHBondContact O-N 2.83Å; H137-L400 HydrophobicContact CB-CD2 3.67Å; H137-E401 PolarHBondContact CE1-O 2.93Å; H137-E401 WeakPolarHBondContact NE2-CB 3.37Å; H137-E401 PolarHBondContact NE2-N 2.88Å
138	G	97.1	Very high	98.2	Very high	69 Å²	69	22.1 Å²	22.1	71%	0.711	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	14.2	176	0	0	0	0	0	114.7	Q135 F136	Q135-G138 PolarHBondContact O-N 3.23Å; F136-G138 VanDerWaalsContact C-N 3.3Å
139	H	98	Very high	98.1	Very high	58 Å²	58	21 Å²	21	27%	0.269	12%	0.115	S	C	.	.			trans	-100.3	178	177.8	-56.7	-54.4	0	0	0	112.5	N134 Q135 N188	N134-H139 WeakPolarHBondContact O-CB 3.19Å; N134-H139 PolarHBondContact O-N 2.97Å; N134-H139 VanDerWaalsContact OD1-CB 3.26Å; N134-H139 WeakPolarHBondContact OD1-CB 3.48Å; Q135-H139 WeakPolarHBondContact CA-O 3.32Å; H139-N188 WeakPolarHBondContact CB-OD1 3.37Å
140	K	98.6	Very high	98.1	Very high	81 Å²	81	22 Å²	22	35%	0.352	12%	0.119	S	C	.	.			trans	-125.6	140.5	-175.1	-65.4	179.3	174.7	-170.3	0	111.6	N134 T159 E185 I187 N188	N134-K140 PolarHBondContact ND2-O 3.3Å; K140-T159 WeakPolarHBondContact CA-OG1 3.44Å; K140-T159 HydrophobicContact CB-CG2 4.19Å; K140-T159 WeakPolarHBondContact CB-OG1 3.39Å; K140-T159 HydrophobicContact CD-CG2 4.1Å; K140-T159 HydrophobicContact CG-CG2 4Å; K140-E185 VanDerWaalsContact CD-O 3.24Å; K140-E185 WeakPolarHBondContact CD-O 3.43Å; K140-E185 PolarHBondContact NZ-O 2.84Å; K140-I187 HydrophobicContact CB-CB 4.42Å; K140-I187 HydrophobicContact CB-CG2 4.02Å; K140-I187 WeakPolarHBondContact O-CA 3.23Å; K140-I187 WeakPolarHBondContact O-CB 3.39Å; K140-N188 PolarHBondContact O-N 3.35Å; K140-N188 VanDerWaalsContact O-N 3.07Å; K140-N188 PolarHBondContact O-OD1 3.06Å
141	S	98.8	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.9	-177.1	-47.6	0	0	0	0	111.4	W131 N134 T159 H160 L189	W131-S141 WeakPolarHBondContact CA-OG 3.37Å; W131-S141 WeakPolarHBondContact CB-OG 3.5Å; N134-S141 PolarHBondContact ND2-OG 2.76Å; S141-T159 PolarHBondContact N-OG1 2.84Å; S141-T159 WeakPolarHBondContact O-CB 3.49Å; S141-T159 PolarHBondContact O-N 3.31Å; S141-T159 VanDerWaalsContact O-N 3.11Å; S141-H160 PolarHBondContact O-N 3.09Å; S141-L189 CarbonylContact C-O 3.48Å; S141-L189 VanDerWaalsContact CA-O 3.31Å; S141-L189 WeakPolarHBondContact CA-O 3.4Å
142	G	98.8	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.3	171.1	0	0	0	0	0	111	H160 L189 G190 L191	G142-H160 CarbonylContact C-O 3.21Å; G142-H160 VanDerWaalsContact CA-O 3.32Å; G142-H160 WeakPolarHBondContact CA-O 3.16Å; G142-L189 PolarHBondContact N-O 3.15Å; G142-G190 CarbonylContact O-C 3.38Å; G142-G190 VanDerWaalsContact O-CA 3.31Å; G142-G190 WeakPolarHBondContact O-CA 3.28Å; G142-L191 PolarHBondContact O-N 3.25Å
143	V	98.7	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121	-174.8	-178.8	0	0	0	0	112.2	W131 W146 P158 H160 Y161 L162 L191	W131-V143 HydrophobicContact CE3-CG2 4.43Å; V143-W146 HydrophobicContact CG1-CB 3.36Å; V143-P158 HydrophobicContact CB-CB 4.1Å; V143-P158 HydrophobicContact CB-CG 3.96Å; V143-P158 HydrophobicContact CG2-CB 3.63Å; V143-P158 HydrophobicContact CG2-CG 3.51Å; V143-H160 PolarHBondContact N-O 3.48Å; V143-Y161 WeakPolarHBondContact O-CA 3.17Å; V143-L162 PolarHBondContact O-N 2.84Å; V143-L162 VanDerWaalsContact O-N 3.11Å; V143-L191 WeakPolarHBondContact CA-O 3.45Å; V143-L191 HydrophobicContact CG1-CB 4.21Å; V143-L191 HydrophobicContact CG2-CB 4.07Å; V143-L191 HydrophobicContact CG2-CD1 3.94Å; V143-L191 HydrophobicContact CG2-CG 4.14Å
144	T	98.1	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	102.5	171.7	61.1	0	0	0	0	109.6	W146 L162 I177 L178 W181 L191 M192 Y193	T144-W146 PolarHBondContact O-N 3.25Å; T144-L162 HydrophobicContact CG2-CD1 3.73Å; T144-L162 HydrophobicContact CG2-CG 4.15Å; T144-I177 HydrophobicContact CG2-CG2 4.27Å; T144-L178 HydrophobicContact CG2-CD2 4.26Å; T144-L178 HydrophobicContact CG2-CG 4.22Å; T144-W181 HydrophobicContact CG2-CH2 4.08Å; T144-W181 HydrophobicContact CG2-CZ3 3.87Å; T144-L191 PolarHBondContact N-O 3.11Å; T144-L191 PolarHBondContact OG1-O 3.47Å; T144-M192 VanDerWaalsContact OG1-CA 3.24Å; T144-M192 WeakPolarHBondContact OG1-CA 3.42Å; T144-M192 VanDerWaalsContact OG1-CB 3.25Å; T144-M192 WeakPolarHBondContact OG1-CB 3.24Å; T144-M192 VanDerWaalsContact OG1-CG 3.23Å; T144-M192 WeakPolarHBondContact OG1-CG 3.49Å; T144-Y193 PolarHBondContact O-N 3.17Å; T144-Y193 VanDerWaalsContact O-N 3.09Å
145	F	97	Very high	97.9	Very high	14 Å²	14	31.7 Å²	31.7	6%	0.061	18%	0.18	C	C	.	.	S	Bend	trans	62.6	32.4	168.5	-54.1	-56.1	0	0	0	116.8	L162 P164 Y165 N166 I169 R174 Y193	F145-L162 HydrophobicContact CD1-CB 4.02Å; F145-L162 HydrophobicContact CD2-CD1 4.29Å; F145-L162 HydrophobicContact CE1-CB 3.59Å; F145-L162 HydrophobicContact CE1-CD1 4.31Å; F145-L162 HydrophobicContact CE2-CB 4.4Å; F145-L162 HydrophobicContact CE2-CD1 3.66Å; F145-L162 HydrophobicContact CZ-CB 3.84Å; F145-L162 HydrophobicContact CZ-CD1 3.69Å; F145-L162 HydrophobicContact CZ-CG 4.43Å; F145-P164 WeakPolarHBondContact CE1-O 3.5Å; F145-Y165 HydrophobicContact CB-CD2 3.79Å; F145-Y165 HydrophobicContact CB-CE2 4.04Å; F145-Y165 AromaticContact CD1-CD2 3.66Å; F145-Y165 HydrophobicContact CD1-CD2 3.66Å; F145-Y165 HydrophobicContact CD1-CE2 4.41Å; F145-Y165 HydrophobicContact CD1-CG 4.47Å; F145-Y165 HydrophobicContact CE1-CD2 4.34Å; F145-Y165 AromaticContact CG-CD2 3.75Å; F145-Y165 HydrophobicContact CG-CD2 3.75Å; F145-Y165 HydrophobicContact CG-CE2 4.09Å; F145-N166 HydrophobicContact CE1-CB 4.37Å; F145-N166 VanDerWaalsContact CE1-N 3.31Å; F145-N166 HydrophobicContact CZ-CB 4.04Å; F145-I169 HydrophobicContact CE2-CB 4.11Å; F145-I169 HydrophobicContact CE2-CD1 4.17Å; F145-I169 HydrophobicContact CE2-CG1 4.45Å; F145-I169 HydrophobicContact CZ-CB 4.41Å; F145-I169 HydrophobicContact CZ-CD1 3.74Å; F145-I169 HydrophobicContact CZ-CG1 4.25Å; F145-R174 VanDerWaalsContact CD2-CZ 3.46Å; F145-R174 VanDerWaalsContact CD2-NH1 3.31Å; F145-R174 HydrophobicContact CE2-CG 4.39Å; F145-Y193 HydrophobicContact CB-CD1 3.94Å; F145-Y193 WeakPolarHBondContact O-CB 3.47Å; F145-Y193 VanDerWaalsContact O-CD1 3.3Å; F145-Y193 WeakPolarHBondContact O-CD1 3.37Å
146	W	97.9	Very high	97.9	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.019	19%	0.192	C	C	.	.			trans	-86.3	141.5	173.4	-150.5	-75.1	0	0	0	111.1	L32 H81 I84 V85 W131 V143 T144 G148 S149 L191	L32-W146 HydrophobicContact CD2-CH2 3.34Å; L32-W146 HydrophobicContact CD2-CZ2 3.96Å; L32-W146 HydrophobicContact CD2-CZ3 3.95Å; L32-W146 HydrophobicContact CG-CH2 3.75Å; L32-W146 HydrophobicContact CG-CZ3 4.05Å; H81-W146 HydrophobicContact CB-CZ2 4.49Å; H81-W146 PolarHBondContact O-NE1 3.02Å; I84-W146 HydrophobicContact CB-CZ2 4.08Å; I84-W146 HydrophobicContact CD1-CZ2 4.28Å; I84-W146 HydrophobicContact CG2-CH2 4.19Å; I84-W146 HydrophobicContact CG2-CZ2 3.79Å; V85-W146 HydrophobicContact CG1-CD2 4.15Å; V85-W146 HydrophobicContact CG1-CG 4.47Å; V85-W146 HydrophobicContact CG1-CH2 4.49Å; V85-W146 HydrophobicContact CG1-CZ2 3.59Å; W131-W146 HydrophobicContact CZ3-CG 4.47Å; V143-W146 HydrophobicContact CG1-CB 3.36Å; T144-W146 PolarHBondContact O-N 3.25Å; W146-G148 PolarHBondContact O-N 2.96Å; W146-S149 WeakPolarHBondContact O-CB 3.36Å; W146-S149 PolarHBondContact O-N 2.89Å; W146-S149 PolarHBondContact O-OG 2.87Å; W146-L191 HydrophobicContact CD2-CB 4.37Å; W146-L191 HydrophobicContact CE3-CB 3.74Å; W146-L191 HydrophobicContact CZ3-CB 4.22Å
147	I	96.5	Very high	97.9	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.056	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	135.5	175.5	-178.1	-175.6	0	0	0	111.8	F78 H81 F82 I95 Y123 W131 S149	F78-I147 HydrophobicContact CB-CD1 3.5Å; F78-I147 VanDerWaalsContact CB-CD1 3.5Å; F78-I147 HydrophobicContact CD1-CB 4.25Å; F78-I147 HydrophobicContact CD1-CD1 3.2Å; F78-I147 HydrophobicContact CD1-CG1 3.67Å; F78-I147 HydrophobicContact CE1-CB 4.33Å; F78-I147 HydrophobicContact CE1-CD1 3.99Å; F78-I147 HydrophobicContact CE1-CG1 3.92Å; F78-I147 HydrophobicContact CG-CD1 3.58Å; F78-I147 HydrophobicContact CG-CG1 4.27Å; H81-I147 HydrophobicContact CB-CG2 3.58Å; F82-I147 HydrophobicContact CB-CD1 4.36Å; F82-I147 HydrophobicContact CB-CG2 4.03Å; F82-I147 HydrophobicContact CD2-CG2 4.11Å; I95-I147 HydrophobicContact CB-CD1 4.41Å; I95-I147 HydrophobicContact CG1-CD1 4.14Å; I95-I147 HydrophobicContact CG2-CD1 3.63Å; Y123-I147 HydrophobicContact CE1-CD1 4.13Å; Y123-I147 HydrophobicContact CE1-CG1 3.72Å; W131-I147 WeakPolarHBondContact CH2-O 3.43Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.19Å
148	G	96.9	Very high	97.9	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.031	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-10	176.5	0	0	0	0	0	114.4	W146 E150 A151	W146-G148 PolarHBondContact O-N 2.96Å; G148-E150 PolarHBondContact O-N 2.77Å; G148-A151 PolarHBondContact O-N 3.36Å
149	S	97.7	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.9	179.7	67.7	0	0	0	0	113.8	W146 I147 P158	W146-S149 WeakPolarHBondContact O-CB 3.36Å; W146-S149 PolarHBondContact O-N 2.89Å; W146-S149 PolarHBondContact O-OG 2.87Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.19Å; S149-P158 VanDerWaalsContact O-CD 3.32Å; S149-P158 WeakPolarHBondContact O-CD 3.44Å
150	E	97.6	Very high	98	Very high	19 Å²	19	27.9 Å²	27.9	9%	0.089	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.8	-178.4	-54.5	-172.8	-130.3	0	0	113.1	Q114 T118 G148 R157 Y161 T163	Q114-E150 PolarHBondContact NE2-OE2 2.68Å; T118-E150 HydrophobicContact CG2-CB 4.16Å; G148-E150 PolarHBondContact O-N 2.77Å; E150-R157 PolarHBondContact O-NE 2.92Å; E150-R157 PolarHBondContact O-NH2 3.07Å; E150-Y161 HydrophobicContact CG-CD2 4.41Å; E150-T163 VanDerWaalsContact OE2-CB 3.24Å; E150-T163 WeakPolarHBondContact OE2-CB 3.49Å; E150-T163 PolarHBondContact OE2-OG1 3.3Å
151	A	97.5	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-98.9	148.8	179	0	0	0	0	0	111.3	Y123 G148 R157	Y123-A151 HydrophobicContact CD2-CB 3.29Å; Y123-A151 HydrophobicContact CE2-CB 3.78Å; Y123-A151 HydrophobicContact CG-CB 3.96Å; G148-A151 PolarHBondContact O-N 3.36Å; A151-R157 WeakPolarHBondContact O-CG 3.33Å
152	I	98.3	Very high	97.9	Very high	65 Å²	65	29.2 Å²	29.2	33%	0.333	15%	0.152	S	C	.	.			trans	-75.1	125.1	168.4	-56.8	178.9	0	0	0	107.6	S120 E156 R157	S120-I152 WeakPolarHBondContact CB-O 3.38Å; S120-I152 WeakPolarHBondContact OG-CA 3.24Å; S120-I152 WeakPolarHBondContact OG-CB 3.43Å; S120-I152 PolarHBondContact OG-N 3.17Å; S120-I152 PolarHBondContact OG-O 3.11Å; I152-E156 CarbonylContact C-O 3.51Å; I152-E156 WeakPolarHBondContact CA-O 3.3Å; I152-R157 HydrophobicContact CG1-CG 4.29Å
153	I	98.5	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-125.6	122.5	175.9	-59.6	166.1	0	0	0	106.8	F82 Y123 A127 P129 W131 V132 G155 E156	F82-I153 HydrophobicContact CE2-CD1 4.19Å; F82-I153 HydrophobicContact CZ-CD1 4.1Å; Y123-I153 HydrophobicContact CG-CD1 4.49Å; A127-I153 WeakPolarHBondContact O-CG2 3.28Å; P129-I153 HydrophobicContact CG-CD1 3.68Å; P129-I153 HydrophobicContact CG-CG2 4.46Å; W131-I153 HydrophobicContact CZ2-CD1 4.23Å; V132-I153 HydrophobicContact CG2-CB 4.28Å; I153-G155 PolarHBondContact O-N 3.31Å; I153-E156 PolarHBondContact N-O 3.03Å; I153-E156 PolarHBondContact O-N 2.93Å
154	K	97.8	Very high	97.6	Very high	81 Å²	81	36.2 Å²	36.2	35%	0.352	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	37.5	-172.2	-58.8	-173.1	170.5	-163.4	0	114.5	D124 E128 V132 F136 E156	D124-K154 VanDerWaalsContact CG-N 3.32Å; D124-K154 PolarHBondContact OD1-N 3.18Å; D124-K154 PolarHBondContact OD2-N 2.73Å; E128-K154 HydrophobicContact CB-CD 4.1Å; E128-K154 HydrophobicContact CG-CD 4Å; E128-K154 VanDerWaalsContact OE2-CD 3.26Å; E128-K154 WeakPolarHBondContact OE2-CD 3.16Å; E128-K154 WeakPolarHBondContact OE2-CE 3.46Å; E128-K154 IonicContact OE2-NZ 2.77Å; E128-K154 PolarHBondContact OE2-NZ 3.12Å; V132-K154 HydrophobicContact CG1-CB 4.2Å; F136-K154 HydrophobicContact CE2-CB 4.35Å; F136-K154 HydrophobicContact CE2-CD 4.24Å; F136-K154 HydrophobicContact CZ-CB 3.94Å; K154-E156 VanDerWaalsContact C-N 3.3Å; K154-E156 PolarHBondContact O-N 3.19Å
155	G	97.7	Very high	97.5	Very high	59 Å²	59	40.4 Å²	40.4	61%	0.608	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	-2.8	-179.7	0	0	0	0	0	115.1	I153	I153-G155 PolarHBondContact O-N 3.31Å
156	E	98.2	Very high	97.5	Very high	74 Å²	74	43 Å²	43	35%	0.346	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-120.4	153.4	-171.6	-72.7	-62.9	155.6	0	0	113.5	V132 Q135 F136 I152 I153 K154	V132-E156 HydrophobicContact CB-CB 4.47Å; V132-E156 HydrophobicContact CG1-CB 4.08Å; V132-E156 HydrophobicContact CG1-CG 4.4Å; V132-E156 HydrophobicContact CG2-CB 4.08Å; Q135-E156 PolarHBondContact NE2-OE2 3.28Å; Q135-E156 VanDerWaalsContact NE2-OE2 3.11Å; F136-E156 HydrophobicContact CD1-CG 4.31Å; F136-E156 HydrophobicContact CE1-CG 3.67Å; F136-E156 HydrophobicContact CZ-CG 4.33Å; I152-E156 CarbonylContact C-O 3.51Å; I152-E156 WeakPolarHBondContact CA-O 3.3Å; I153-E156 PolarHBondContact N-O 3.03Å; I153-E156 PolarHBondContact O-N 2.93Å; K154-E156 VanDerWaalsContact C-N 3.3Å; K154-E156 PolarHBondContact O-N 3.19Å
157	R	98	Very high	97.3	Very high	74 Å²	74	46 Å²	46	28%	0.279	24%	0.241	S	C	.	.			trans	-125.9	161.9	163.7	-81.9	-169.1	-179.4	93.8	0.4	108.6	Q135 E150 A151 I152 T159 Y161	Q135-R157 VanDerWaalsContact CD-O 3.26Å; Q135-R157 PolarHBondContact NE2-O 3.08Å; Q135-R157 PolarHBondContact OE1-O 3.29Å; Q135-R157 VanDerWaalsContact OE1-O 3.12Å; E150-R157 PolarHBondContact O-NE 2.92Å; E150-R157 PolarHBondContact O-NH2 3.07Å; A151-R157 WeakPolarHBondContact O-CG 3.33Å; I152-R157 HydrophobicContact CG1-CG 4.29Å; R157-T159 PolarHBondContact O-N 2.69Å; R157-Y161 HydrophobicContact CB-CE1 4.22Å; R157-Y161 WeakPolarHBondContact CD-OH 3.47Å
158	P	98.6	Very high	97.3	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.019	27%	0.272	C	S	.	.			trans	-49.3	141.7	165.7	-23.2	34.2	0	0	0	111.1	W131 V143 S149 H160 Y161	W131-P158 HydrophobicContact CB-CB 4.47Å; W131-P158 HydrophobicContact CB-CG 4.24Å; W131-P158 HydrophobicContact CD2-CG 4.02Å; W131-P158 HydrophobicContact CG-CB 4.43Å; W131-P158 HydrophobicContact CG-CG 3.72Å; V143-P158 HydrophobicContact CB-CB 4.1Å; V143-P158 HydrophobicContact CB-CG 3.96Å; V143-P158 HydrophobicContact CG2-CB 3.63Å; V143-P158 HydrophobicContact CG2-CG 3.51Å; S149-P158 VanDerWaalsContact O-CD 3.32Å; S149-P158 WeakPolarHBondContact O-CD 3.44Å; P158-H160 WeakPolarHBondContact CB-O 3.49Å; P158-H160 PolarHBondContact O-N 2.89Å; P158-Y161 HydrophobicContact CB-CD1 4.49Å; P158-Y161 WeakPolarHBondContact O-CD1 3.26Å
159	T	98.6	Very high	97.4	Very high	58 Å²	58	51.7 Å²	51.7	36%	0.356	28%	0.279	S	S	.	.	S	Bend	trans	-53.4	-41.4	176.8	-44.8	0	0	0	0	111.6	K140 S141 R157	K140-T159 WeakPolarHBondContact CA-OG1 3.44Å; K140-T159 HydrophobicContact CB-CG2 4.19Å; K140-T159 WeakPolarHBondContact CB-OG1 3.39Å; K140-T159 HydrophobicContact CD-CG2 4.1Å; K140-T159 HydrophobicContact CG-CG2 4Å; S141-T159 PolarHBondContact N-OG1 2.84Å; S141-T159 WeakPolarHBondContact O-CB 3.49Å; S141-T159 PolarHBondContact O-N 3.31Å; S141-T159 VanDerWaalsContact O-N 3.11Å; R157-T159 PolarHBondContact O-N 2.69Å
160	H	98.7	Very high	97.4	Very high	38 Å²	38	54.3 Å²	54.3	18%	0.176	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.9	171.5	-52.2	-80.8	0	0	0	110.2	S141 G142 V143 P158 W181 E185	S141-H160 PolarHBondContact O-N 3.09Å; G142-H160 CarbonylContact C-O 3.21Å; G142-H160 VanDerWaalsContact CA-O 3.32Å; G142-H160 WeakPolarHBondContact CA-O 3.16Å; V143-H160 PolarHBondContact N-O 3.48Å; P158-H160 WeakPolarHBondContact CB-O 3.49Å; P158-H160 PolarHBondContact O-N 2.89Å; H160-W181 HydrophobicContact CB-CD2 3.65Å; H160-W181 VanDerWaalsContact CB-CE2 3.46Å; H160-W181 HydrophobicContact CB-CE3 4.07Å; H160-W181 HydrophobicContact CB-CG 4.1Å; H160-W181 HydrophobicContact CB-CH2 4.11Å; H160-W181 HydrophobicContact CB-CZ2 3.7Å; H160-W181 HydrophobicContact CB-CZ3 4.3Å; H160-E185 VanDerWaalsContact CE1-CG 3.49Å; H160-E185 WeakPolarHBondContact CE1-CG 3.04Å; H160-E185 IonicContact CE1-OE2 3.4Å; H160-E185 PolarHBondContact CE1-OE2 3.23Å; H160-E185 VanDerWaalsContact NE2-CB 3.28Å; H160-E185 WeakPolarHBondContact NE2-CB 3.45Å; H160-E185 WeakPolarHBondContact NE2-CG 3.27Å; H160-E185 IonicContact NE2-OE2 3.02Å
161	Y	98.2	Very high	97.5	Very high	78 Å²	78	53.6 Å²	53.6	31%	0.306	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	151.7	176.2	60.9	-78.3	0	0	0	111.9	V143 E150 R157 P158 T163	V143-Y161 WeakPolarHBondContact O-CA 3.17Å; E150-Y161 HydrophobicContact CG-CD2 4.41Å; R157-Y161 HydrophobicContact CB-CE1 4.22Å; R157-Y161 WeakPolarHBondContact CD-OH 3.47Å; P158-Y161 HydrophobicContact CB-CD1 4.49Å; P158-Y161 WeakPolarHBondContact O-CD1 3.26Å; Y161-T163 HydrophobicContact CD2-CG2 4.02Å; Y161-T163 HydrophobicContact CE2-CG2 3.65Å
162	L	97.7	Very high	97.5	Very high	32 Å²	32	56 Å²	56	17%	0.168	31%	0.307	C	S	.	.			trans	-91	136.3	172.9	-62.6	-177.6	0	0	0	111.6	V143 T144 F145 I169 I177 W181	V143-L162 PolarHBondContact O-N 2.84Å; V143-L162 VanDerWaalsContact O-N 3.11Å; T144-L162 HydrophobicContact CG2-CD1 3.73Å; T144-L162 HydrophobicContact CG2-CG 4.15Å; F145-L162 HydrophobicContact CD1-CB 4.02Å; F145-L162 HydrophobicContact CD2-CD1 4.29Å; F145-L162 HydrophobicContact CE1-CB 3.59Å; F145-L162 HydrophobicContact CE1-CD1 4.31Å; F145-L162 HydrophobicContact CE2-CB 4.4Å; F145-L162 HydrophobicContact CE2-CD1 3.66Å; F145-L162 HydrophobicContact CZ-CB 3.84Å; F145-L162 HydrophobicContact CZ-CD1 3.69Å; F145-L162 HydrophobicContact CZ-CG 4.43Å; L162-I169 HydrophobicContact CD1-CD1 4.29Å; L162-I177 HydrophobicContact CD1-CD1 3.81Å; L162-I177 HydrophobicContact CD2-CD1 4.25Å; L162-I177 HydrophobicContact CD2-CG2 4.35Å; L162-W181 HydrophobicContact CD2-CH2 4.27Å; L162-W181 HydrophobicContact CD2-CZ2 4.22Å; L162-W181 HydrophobicContact CG-CH2 4.1Å
163	T	95.6	Very high	97.5	Very high	68 Å²	68	57.2 Å²	57.2	42%	0.417	31%	0.311	S	S	.	.			trans	-156	150	177.9	173.9	0	0	0	0	110.5	E150 Y161	E150-T163 VanDerWaalsContact OE2-CB 3.24Å; E150-T163 WeakPolarHBondContact OE2-CB 3.49Å; E150-T163 PolarHBondContact OE2-OG1 3.3Å; Y161-T163 HydrophobicContact CD2-CG2 4.02Å; Y161-T163 HydrophobicContact CE2-CG2 3.65Å
164	P	95.2	Very high	97.5	Very high	78 Å²	78	57.2 Å²	57.2	51%	0.506	31%	0.311	S	S	.	.	S	Bend	cis	-67.2	172	-16.3	33.1	-37.6	0	0	0	110.7	Q114 F145 N166	Q114-P164 HydrophobicContact CG-CB 4.35Å; F145-P164 WeakPolarHBondContact CE1-O 3.5Å; P164-N166 PolarHBondContact O-N 2.91Å
165	Y	95.4	Very high	97.6	Very high	88 Å²	88	53.4 Å²	53.4	35%	0.345	29%	0.294	S	S	.	.			trans	-50.6	126.8	172.2	178.2	-107.7	0	0	0	111.9	F145 E167 Y193 H195	F145-Y165 HydrophobicContact CB-CD2 3.79Å; F145-Y165 HydrophobicContact CB-CE2 4.04Å; F145-Y165 AromaticContact CD1-CD2 3.66Å; F145-Y165 HydrophobicContact CD1-CD2 3.66Å; F145-Y165 HydrophobicContact CD1-CE2 4.41Å; F145-Y165 HydrophobicContact CD1-CG 4.47Å; F145-Y165 HydrophobicContact CE1-CD2 4.34Å; F145-Y165 AromaticContact CG-CD2 3.75Å; F145-Y165 HydrophobicContact CG-CD2 3.75Å; F145-Y165 HydrophobicContact CG-CE2 4.09Å; Y165-E167 HydrophobicContact CE1-CB 3.86Å; Y165-E167 HydrophobicContact CE1-CG 4.48Å; Y165-Y193 HydrophobicContact CE2-CD1 4.09Å; Y165-Y193 AromaticContact CE2-CE1 3.64Å; Y165-Y193 HydrophobicContact CE2-CE1 3.64Å; Y165-H195 WeakPolarHBondContact OH-CB 3.36Å
166	N	96	Very high	97.6	Very high	70 Å²	70	53.7 Å²	53.7	37%	0.374	28%	0.282	S	S	.	.			trans	-134.6	101.4	179.4	-174.5	-4.5	0	0	0	110.8	F145 P164 S168 I169 R174	F145-N166 HydrophobicContact CE1-CB 4.37Å; F145-N166 VanDerWaalsContact CE1-N 3.31Å; F145-N166 HydrophobicContact CZ-CB 4.04Å; P164-N166 PolarHBondContact O-N 2.91Å; N166-S168 PolarHBondContact O-N 3.4Å; N166-S168 VanDerWaalsContact OD1-CB 3.3Å; N166-S168 WeakPolarHBondContact OD1-CB 3.37Å; N166-S168 PolarHBondContact OD1-N 3.02Å; N166-I169 HydrophobicContact CB-CD1 4.28Å; N166-I169 HydrophobicContact CB-CG1 4.04Å; N166-I169 PolarHBondContact O-N 2.84Å; N166-R174 PolarHBondContact O-NH2 2.94Å
167	E	94.9	Very high	97.6	Very high	66 Å²	66	52.2 Å²	52.2	31%	0.308	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27	-179.9	-163.4	175.1	139.7	0	0	113.3	Y165 I169 H195 R199	Y165-E167 HydrophobicContact CE1-CB 3.86Å; Y165-E167 HydrophobicContact CE1-CG 4.48Å; E167-I169 PolarHBondContact O-N 3.34Å; E167-H195 IonicContact OE1-CD2 3.25Å; E167-H195 PolarHBondContact OE1-CD2 3.31Å; E167-H195 IonicContact OE1-NE2 3.61Å; E167-H195 PolarHBondContact OE1-NE2 3.21Å; E167-R199 WeakPolarHBondContact OE1-CD 3.38Å; E167-R199 IonicContact OE1-CZ 3.62Å; E167-R199 IonicContact OE1-NE 2.85Å; E167-R199 PolarHBondContact OE1-NE 3.33Å; E167-R199 IonicContact OE1-NH1 3.49Å; E167-R199 PolarHBondContact OE1-NH1 2.67Å
168	S	97.3	Very high	97.6	Very high	101 Å²	101	48.8 Å²	48.8	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.3	179.5	-54.3	0	0	0	0	113.4	N166 T170	N166-S168 PolarHBondContact O-N 3.4Å; N166-S168 VanDerWaalsContact OD1-CB 3.3Å; N166-S168 WeakPolarHBondContact OD1-CB 3.37Å; N166-S168 PolarHBondContact OD1-N 3.02Å; S168-T170 PolarHBondContact O-N 3.43Å
169	I	98.1	Very high	97.6	Very high	34 Å²	34	48.7 Å²	48.7	17%	0.174	26%	0.262	C	S	.	.	S	Bend	trans	-73.7	109.9	170.9	-53.5	-166	0	0	0	108.1	F145 L162 N166 E167 Q173 R174 I177	F145-I169 HydrophobicContact CE2-CB 4.11Å; F145-I169 HydrophobicContact CE2-CD1 4.17Å; F145-I169 HydrophobicContact CE2-CG1 4.45Å; F145-I169 HydrophobicContact CZ-CB 4.41Å; F145-I169 HydrophobicContact CZ-CD1 3.74Å; F145-I169 HydrophobicContact CZ-CG1 4.25Å; L162-I169 HydrophobicContact CD1-CD1 4.29Å; N166-I169 HydrophobicContact CB-CD1 4.28Å; N166-I169 HydrophobicContact CB-CG1 4.04Å; N166-I169 PolarHBondContact O-N 2.84Å; E167-I169 PolarHBondContact O-N 3.34Å; I169-Q173 HydrophobicContact CG2-CB 3.63Å; I169-R174 HydrophobicContact CG2-CG 3.85Å; I169-R174 PolarHBondContact O-NE 2.86Å; I169-R174 PolarHBondContact O-NH2 2.79Å; I169-R174 VanDerWaalsContact O-NH2 3.08Å; I169-I177 HydrophobicContact CG2-CD1 4.5Å
170	T	98.1	Very high	97.5	Very high	54 Å²	54	49.5 Å²	49.5	33%	0.331	27%	0.265	S	S	.	.			trans	-64.2	164.6	-176.5	61.1	0	0	0	0	112.5	S168 T172 Q173 R174	S168-T170 PolarHBondContact O-N 3.43Å; T170-T172 VanDerWaalsContact C-N 3.31Å; T170-T172 PolarHBondContact O-N 2.93Å; T170-T172 PolarHBondContact OG1-OG1 3.39Å; T170-Q173 PolarHBondContact O-N 3.02Å; T170-Q173 WeakPolarHBondContact OG1-CB 3.3Å; T170-Q173 VanDerWaalsContact OG1-CD 3.29Å; T170-Q173 VanDerWaalsContact OG1-CG 3.23Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.35Å; T170-Q173 PolarHBondContact OG1-N 3.07Å; T170-Q173 PolarHBondContact OG1-OE1 2.9Å; T170-R174 WeakPolarHBondContact O-CG 3.37Å; T170-R174 PolarHBondContact O-N 2.9Å
171	F	98.5	Very high	97.5	Very high	4 Å²	4	49 Å²	49	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-45.6	177.8	-160	-81.1	0	0	0	111.9	I33 L35 R174 I175 M192 Y194 I218 L222	I33-F171 HydrophobicContact CG2-CZ 4.27Å; L35-F171 HydrophobicContact CD2-CE2 3.67Å; L35-F171 HydrophobicContact CD2-CZ 4.19Å; F171-R174 PolarHBondContact O-N 3.12Å; F171-I175 HydrophobicContact CD1-CD1 3.5Å; F171-I175 HydrophobicContact CD1-CG1 4.17Å; F171-I175 HydrophobicContact CE1-CD1 3.68Å; F171-I175 HydrophobicContact CE1-CG1 4.29Å; F171-I175 WeakPolarHBondContact O-CG1 3.38Å; F171-I175 PolarHBondContact O-N 3.24Å; F171-I175 VanDerWaalsContact O-N 3.1Å; F171-M192 HydrophobicContact CD1-CE 4.05Å; F171-M192 HydrophobicContact CD2-CE 4.22Å; F171-M192 HydrophobicContact CE1-CE 3.51Å; F171-M192 HydrophobicContact CE2-CE 3.69Å; F171-M192 HydrophobicContact CG-CE 4.39Å; F171-M192 HydrophobicContact CZ-CE 3.3Å; F171-Y194 HydrophobicContact CB-CD2 4.26Å; F171-Y194 HydrophobicContact CB-CE1 4.5Å; F171-Y194 HydrophobicContact CB-CE2 3.85Å; F171-Y194 AromaticContact CD2-CD1 3.43Å; F171-Y194 HydrophobicContact CD2-CD1 3.43Å; F171-Y194 VanDerWaalsContact CD2-CD1 3.43Å; F171-Y194 AromaticContact CD2-CD2 3.66Å; F171-Y194 HydrophobicContact CD2-CD2 3.66Å; F171-Y194 AromaticContact CD2-CE1 3.65Å; F171-Y194 HydrophobicContact CD2-CE1 3.65Å; F171-Y194 AromaticContact CD2-CE2 3.94Å; F171-Y194 HydrophobicContact CD2-CE2 3.94Å; F171-Y194 AromaticContact CD2-CG 3.4Å; F171-Y194 HydrophobicContact CD2-CG 3.4Å; F171-Y194 VanDerWaalsContact CD2-CG 3.4Å; F171-Y194 AromaticContact CD2-CZ 3.92Å; F171-Y194 AromaticContact CE2-CD1 3.84Å; F171-Y194 HydrophobicContact CE2-CD1 3.84Å; F171-Y194 HydrophobicContact CE2-CD2 4.49Å; F171-Y194 HydrophobicContact CE2-CE1 4.41Å; F171-Y194 AromaticContact CE2-CG 3.86Å; F171-Y194 HydrophobicContact CE2-CG 3.86Å; F171-Y194 HydrophobicContact CG-CD2 4.38Å; F171-Y194 HydrophobicContact CG-CE2 4.39Å; F171-Y194 HydrophobicContact CG-CG 4.5Å; F171-I218 HydrophobicContact CE2-CG2 4.23Å; F171-I218 HydrophobicContact CZ-CG2 4.44Å; F171-L222 HydrophobicContact CE1-CD2 4.17Å; F171-L222 HydrophobicContact CZ-CD2 3.98Å; F171-L222 HydrophobicContact CZ-CG 4.42Å
172	T	98.5	Very high	97.4	Very high	51 Å²	51	45.4 Å²	45.4	31%	0.313	25%	0.247	S	C	.	.	H	α-helix	trans	-68.1	-38.6	-179.7	52.6	0	0	0	0	112.7	T170 R174 I175 D176 Y224	T170-T172 VanDerWaalsContact C-N 3.31Å; T170-T172 PolarHBondContact O-N 2.93Å; T170-T172 PolarHBondContact OG1-OG1 3.39Å; T172-R174 VanDerWaalsContact C-N 3.32Å; T172-R174 PolarHBondContact O-N 2.84Å; T172-I175 WeakPolarHBondContact O-CA 3.48Å; T172-I175 WeakPolarHBondContact O-CB 3.47Å; T172-I175 PolarHBondContact O-N 2.87Å; T172-I175 VanDerWaalsContact O-N 3.12Å; T172-D176 PolarHBondContact O-N 3.45Å; T172-Y224 HydrophobicContact CG2-CD1 3.79Å; T172-Y224 HydrophobicContact CG2-CE1 4.39Å; T172-Y224 HydrophobicContact CG2-CG 3.91Å
173	Q	98.5	Very high	97.2	Very high	91 Å²	91	47.4 Å²	47.4	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-36.7	173.9	-73.3	168.8	-44	0	0	112.4	I169 T170 I175 D176 I177	I169-Q173 HydrophobicContact CG2-CB 3.63Å; T170-Q173 PolarHBondContact O-N 3.02Å; T170-Q173 WeakPolarHBondContact OG1-CB 3.3Å; T170-Q173 VanDerWaalsContact OG1-CD 3.29Å; T170-Q173 VanDerWaalsContact OG1-CG 3.23Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.35Å; T170-Q173 PolarHBondContact OG1-N 3.07Å; T170-Q173 PolarHBondContact OG1-OE1 2.9Å; Q173-I175 VanDerWaalsContact C-N 3.3Å; Q173-D176 PolarHBondContact O-N 3.02Å; Q173-I177 WeakPolarHBondContact O-CD1 3.39Å; Q173-I177 VanDerWaalsContact O-CG1 3.27Å; Q173-I177 WeakPolarHBondContact O-CG1 3.38Å; Q173-I177 PolarHBondContact O-N 3.4Å; Q173-I177 VanDerWaalsContact O-N 3.11Å
174	R	98.5	Very high	97.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-38.1	173.3	-64.3	174.1	-161	-141.3	-5.2	111.1	F145 N166 I169 T170 F171 T172 L178 M192 Y193	F145-R174 VanDerWaalsContact CD2-CZ 3.46Å; F145-R174 VanDerWaalsContact CD2-NH1 3.31Å; F145-R174 HydrophobicContact CE2-CG 4.39Å; N166-R174 PolarHBondContact O-NH2 2.94Å; I169-R174 HydrophobicContact CG2-CG 3.85Å; I169-R174 PolarHBondContact O-NE 2.86Å; I169-R174 PolarHBondContact O-NH2 2.79Å; I169-R174 VanDerWaalsContact O-NH2 3.08Å; T170-R174 WeakPolarHBondContact O-CG 3.37Å; T170-R174 PolarHBondContact O-N 2.9Å; F171-R174 PolarHBondContact O-N 3.12Å; T172-R174 VanDerWaalsContact C-N 3.32Å; T172-R174 PolarHBondContact O-N 2.84Å; R174-L178 PolarHBondContact O-N 3.17Å; R174-M192 HydrophobicContact CB-CG 4.2Å; R174-M192 HydrophobicContact CB-SD 3.49Å; R174-M192 WeakPolarHBondContact CB-SD 3.36Å; R174-Y193 PolarHBondContact NH1-O 3.24Å
175	I	98.6	Very high	97.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-49.7	173.3	-66.1	163.3	0	0	0	110.6	F171 T172 Q173 I177 L178 M179 M192 G221 Y224 L225	F171-I175 HydrophobicContact CD1-CD1 3.5Å; F171-I175 HydrophobicContact CD1-CG1 4.17Å; F171-I175 HydrophobicContact CE1-CD1 3.68Å; F171-I175 HydrophobicContact CE1-CG1 4.29Å; F171-I175 WeakPolarHBondContact O-CG1 3.38Å; F171-I175 PolarHBondContact O-N 3.24Å; F171-I175 VanDerWaalsContact O-N 3.1Å; T172-I175 WeakPolarHBondContact O-CA 3.48Å; T172-I175 WeakPolarHBondContact O-CB 3.47Å; T172-I175 PolarHBondContact O-N 2.87Å; T172-I175 VanDerWaalsContact O-N 3.12Å; Q173-I175 VanDerWaalsContact C-N 3.3Å; I175-I177 VanDerWaalsContact C-N 3.27Å; I175-I177 PolarHBondContact O-N 3.01Å; I175-L178 PolarHBondContact O-N 2.85Å; I175-L178 VanDerWaalsContact O-N 3.08Å; I175-M179 HydrophobicContact CG2-CG 3.95Å; I175-M179 VanDerWaalsContact O-CG 3.3Å; I175-M179 WeakPolarHBondContact O-CG 3.38Å; I175-M179 PolarHBondContact O-N 3.45Å; I175-M192 HydrophobicContact CG1-CE 4.47Å; I175-M192 HydrophobicContact CG1-SD 4.41Å; I175-G221 WeakPolarHBondContact CD1-O 3.27Å; I175-Y224 HydrophobicContact CB-CD1 4.24Å; I175-Y224 HydrophobicContact CB-CE1 4.29Å; I175-Y224 HydrophobicContact CD1-CD1 3.92Å; I175-Y224 HydrophobicContact CG2-CD1 3.99Å; I175-Y224 HydrophobicContact CG2-CE1 3.97Å; I175-L225 HydrophobicContact CD1-CB 3.65Å; I175-L225 HydrophobicContact CG1-CB 4.26Å; I175-L225 HydrophobicContact CG1-CD1 4.18Å; I175-L225 HydrophobicContact CG2-CD1 3.88Å
176	D	98.5	Very high	97.1	Very high	65 Å²	65	51.6 Å²	51.6	35%	0.348	27%	0.27	S	S	.	.	H	α-helix	trans	-56.2	-43.7	-179.2	-69	-28.6	0	0	0	111.4	T172 Q173 M179 D180 Y224	T172-D176 PolarHBondContact O-N 3.45Å; Q173-D176 PolarHBondContact O-N 3.02Å; D176-M179 PolarHBondContact O-N 2.93Å; D176-D180 WeakPolarHBondContact O-CB 3.32Å; D176-D180 PolarHBondContact O-N 2.97Å; D176-Y224 WeakPolarHBondContact OD1-CE1 3.32Å; D176-Y224 PolarHBondContact OD1-OH 3.15Å
177	I	98.4	Very high	97.2	Very high	43 Å²	43	48.3 Å²	48.3	22%	0.221	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-45.6	176.1	-68	164.8	0	0	0	111.4	T144 L162 I169 Q173 I175 D180 W181	T144-I177 HydrophobicContact CG2-CG2 4.27Å; L162-I177 HydrophobicContact CD1-CD1 3.81Å; L162-I177 HydrophobicContact CD2-CD1 4.25Å; L162-I177 HydrophobicContact CD2-CG2 4.35Å; I169-I177 HydrophobicContact CG2-CD1 4.5Å; Q173-I177 WeakPolarHBondContact O-CD1 3.39Å; Q173-I177 VanDerWaalsContact O-CG1 3.27Å; Q173-I177 WeakPolarHBondContact O-CG1 3.38Å; Q173-I177 PolarHBondContact O-N 3.4Å; Q173-I177 VanDerWaalsContact O-N 3.11Å; I175-I177 VanDerWaalsContact C-N 3.27Å; I175-I177 PolarHBondContact O-N 3.01Å; I177-D180 PolarHBondContact O-N 3.35Å; I177-W181 HydrophobicContact CG2-CD2 3.96Å; I177-W181 HydrophobicContact CG2-CE3 4.09Å; I177-W181 HydrophobicContact CG2-CH2 3.52Å; I177-W181 HydrophobicContact CG2-CZ2 3.32Å; I177-W181 HydrophobicContact CG2-CZ3 3.88Å; I177-W181 PolarHBondContact O-N 2.96Å; I177-W181 VanDerWaalsContact O-N 3.11Å
178	L	98	Very high	97.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-45.6	176.1	-80	-175.6	0	0	0	111.5	T144 R174 I175 D180 W181 F182 M192	T144-L178 HydrophobicContact CG2-CD2 4.26Å; T144-L178 HydrophobicContact CG2-CG 4.22Å; R174-L178 PolarHBondContact O-N 3.17Å; I175-L178 PolarHBondContact O-N 2.85Å; I175-L178 VanDerWaalsContact O-N 3.08Å; L178-D180 VanDerWaalsContact C-N 3.32Å; L178-D180 PolarHBondContact O-N 2.82Å; L178-W181 HydrophobicContact CD2-CE3 3.82Å; L178-W181 HydrophobicContact CD2-CZ3 3.97Å; L178-W181 PolarHBondContact O-N 2.84Å; L178-F182 WeakPolarHBondContact O-CB 3.34Å; L178-F182 WeakPolarHBondContact O-CD2 3.25Å; L178-F182 PolarHBondContact O-N 2.87Å; L178-M192 HydrophobicContact CD1-CB 3.89Å; L178-M192 HydrophobicContact CD1-SD 4.28Å
179	M	97.6	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-43.2	179.3	-65.1	-55.7	92.2	0	0	111.2	I31 I175 D176 F182 E183 L225 I229 L235	I31-M179 HydrophobicContact CD1-CE 3.6Å; I175-M179 HydrophobicContact CG2-CG 3.95Å; I175-M179 VanDerWaalsContact O-CG 3.3Å; I175-M179 WeakPolarHBondContact O-CG 3.38Å; I175-M179 PolarHBondContact O-N 3.45Å; D176-M179 PolarHBondContact O-N 2.93Å; M179-F182 HydrophobicContact CE-CD2 4.18Å; M179-F182 WeakPolarHBondContact O-CB 3.39Å; M179-F182 PolarHBondContact O-N 3.44Å; M179-E183 WeakPolarHBondContact O-CG 3.44Å; M179-E183 PolarHBondContact O-N 3.2Å; M179-L225 HydrophobicContact CE-CD1 4.15Å; M179-I229 HydrophobicContact SD-CG1 4.41Å; M179-L235 HydrophobicContact CE-CD1 4.36Å; M179-L235 HydrophobicContact SD-CD1 3.77Å
180	D	97.3	Very high	97.4	Very high	76 Å²	76	39.2 Å²	39.2	41%	0.406	20%	0.199	S	C	.	.	H	α-helix	trans	-57.5	-49.2	175.7	-179.1	80.9	0	0	0	111.7	D176 I177 L178 F182 E183 H184	D176-D180 WeakPolarHBondContact O-CB 3.32Å; D176-D180 PolarHBondContact O-N 2.97Å; I177-D180 PolarHBondContact O-N 3.35Å; L178-D180 VanDerWaalsContact C-N 3.32Å; L178-D180 PolarHBondContact O-N 2.82Å; D180-F182 VanDerWaalsContact C-N 3.3Å; D180-F182 PolarHBondContact O-N 2.71Å; D180-E183 PolarHBondContact O-N 3.47Å; D180-H184 WeakPolarHBondContact O-CB 3.45Å; D180-H184 PolarHBondContact O-N 2.98Å; D180-H184 IonicContact OD1-CD2 2.79Å; D180-H184 PolarHBondContact OD1-CD2 2.86Å; D180-H184 VanDerWaalsContact OD1-CD2 3.25Å
181	W	98	Very high	97.4	Very high	26 Å²	26	36.7 Å²	36.7	10%	0.098	18%	0.183	C	C	.	.	I	π-helix	trans	-63.2	-35.8	176.3	-63.8	-21.4	0	0	0	113.1	T144 H160 L162 I177 L178 E185 N186 I187	T144-W181 HydrophobicContact CG2-CH2 4.08Å; T144-W181 HydrophobicContact CG2-CZ3 3.87Å; H160-W181 HydrophobicContact CB-CD2 3.65Å; H160-W181 VanDerWaalsContact CB-CE2 3.46Å; H160-W181 HydrophobicContact CB-CE3 4.07Å; H160-W181 HydrophobicContact CB-CG 4.1Å; H160-W181 HydrophobicContact CB-CH2 4.11Å; H160-W181 HydrophobicContact CB-CZ2 3.7Å; H160-W181 HydrophobicContact CB-CZ3 4.3Å; L162-W181 HydrophobicContact CD2-CH2 4.27Å; L162-W181 HydrophobicContact CD2-CZ2 4.22Å; L162-W181 HydrophobicContact CG-CH2 4.1Å; I177-W181 HydrophobicContact CG2-CD2 3.96Å; I177-W181 HydrophobicContact CG2-CE3 4.09Å; I177-W181 HydrophobicContact CG2-CH2 3.52Å; I177-W181 HydrophobicContact CG2-CZ2 3.32Å; I177-W181 HydrophobicContact CG2-CZ3 3.88Å; I177-W181 PolarHBondContact O-N 2.96Å; I177-W181 VanDerWaalsContact O-N 3.11Å; L178-W181 HydrophobicContact CD2-CE3 3.82Å; L178-W181 HydrophobicContact CD2-CZ3 3.97Å; L178-W181 PolarHBondContact O-N 2.84Å; W181-E185 CarbonylContact O-C 3.56Å; W181-E185 WeakPolarHBondContact O-CA 3.44Å; W181-E185 WeakPolarHBondContact O-CB 3.4Å; W181-E185 PolarHBondContact O-N 3.31Å; W181-E185 VanDerWaalsContact O-N 3.15Å; W181-N186 PolarHBondContact O-N 2.99Å; W181-I187 HydrophobicContact CB-CD1 3.67Å; W181-I187 HydrophobicContact CB-CG1 4.09Å; W181-I187 HydrophobicContact CB-CG2 4.16Å; W181-I187 HydrophobicContact CE3-CD1 4.47Å; W181-I187 PolarHBondContact O-N 3.11Å
182	F	96.9	Very high	97.5	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	18%	0.182	C	C	.	.	I	π-helix	trans	-66.5	-37.6	176.6	-93.5	-64.9	0	0	0	112.9	K29 I31 L178 M179 D180 I187 L235 L239	K29-F182 HydrophobicContact CB-CE1 3.96Å; K29-F182 HydrophobicContact CD-CD1 3.88Å; K29-F182 HydrophobicContact CD-CE1 4.03Å; K29-F182 HydrophobicContact CG-CE1 4.2Å; I31-F182 HydrophobicContact CD1-CD2 4.22Å; I31-F182 HydrophobicContact CD1-CE2 3.62Å; I31-F182 HydrophobicContact CD1-CZ 4.28Å; I31-F182 HydrophobicContact CG1-CD2 4.44Å; I31-F182 HydrophobicContact CG1-CE2 3.39Å; I31-F182 HydrophobicContact CG1-CZ 3.7Å; L178-F182 WeakPolarHBondContact O-CB 3.34Å; L178-F182 WeakPolarHBondContact O-CD2 3.25Å; L178-F182 PolarHBondContact O-N 2.87Å; M179-F182 HydrophobicContact CE-CD2 4.18Å; M179-F182 WeakPolarHBondContact O-CB 3.39Å; M179-F182 PolarHBondContact O-N 3.44Å; D180-F182 VanDerWaalsContact C-N 3.3Å; D180-F182 PolarHBondContact O-N 2.71Å; F182-I187 HydrophobicContact CB-CG1 4.32Å; F182-I187 HydrophobicContact CD1-CD1 4.26Å; F182-I187 HydrophobicContact CD1-CG1 3.59Å; F182-I187 WeakPolarHBondContact CD1-O 3.39Å; F182-I187 HydrophobicContact CD2-CD1 3.82Å; F182-I187 HydrophobicContact CD2-CG1 4.02Å; F182-I187 HydrophobicContact CE1-CD1 4.23Å; F182-I187 HydrophobicContact CE1-CG1 3.76Å; F182-I187 WeakPolarHBondContact CE1-O 3.3Å; F182-I187 HydrophobicContact CE2-CD1 3.74Å; F182-I187 HydrophobicContact CE2-CG1 4.15Å; F182-I187 HydrophobicContact CG-CD1 4.05Å; F182-I187 HydrophobicContact CG-CG1 3.72Å; F182-I187 HydrophobicContact CZ-CD1 3.97Å; F182-I187 HydrophobicContact CZ-CG1 4.03Å; F182-L235 HydrophobicContact CB-CD1 4.06Å; F182-L235 HydrophobicContact CB-CD2 3.94Å; F182-L235 HydrophobicContact CD1-CD2 3.78Å; F182-L235 HydrophobicContact CG-CD1 4.4Å; F182-L235 HydrophobicContact CG-CD2 3.94Å; F182-L239 HydrophobicContact CE1-CD1 4.3Å; F182-L239 HydrophobicContact CZ-CD1 4.16Å
183	E	93.2	Very high	97.5	Very high	75 Å²	75	35.2 Å²	35.2	35%	0.35	17%	0.172	S	C	.	.	I	π-helix	trans	-85.4	-42.2	-176.6	-71.6	-174	127.3	0	0	113.3	M179 D180 R232	M179-E183 WeakPolarHBondContact O-CG 3.44Å; M179-E183 PolarHBondContact O-N 3.2Å; D180-E183 PolarHBondContact O-N 3.47Å; E183-R232 VanDerWaalsContact CD-CD 3.4Å; E183-R232 WeakPolarHBondContact OE1-CD 3.39Å; E183-R232 WeakPolarHBondContact OE1-CG 3.3Å; E183-R232 IonicContact OE1-NE 3.09Å; E183-R232 PolarHBondContact OE1-NE 3.42Å; E183-R232 IonicContact OE2-CZ 3.3Å; E183-R232 IonicContact OE2-NE 2.69Å; E183-R232 PolarHBondContact OE2-NE 3.12Å; E183-R232 IonicContact OE2-NH2 3.55Å; E183-R232 PolarHBondContact OE2-NH2 2.88Å
184	H	94.7	Very high	97.5	Very high	130 Å²	130	31.1 Å²	31.1	60%	0.602	15%	0.153	S	C	*	.	I	π-helix	trans	-105.1	-30.4	-168.4	-61.7	-55.9	0	0	0	113.3	D180	D180-H184 WeakPolarHBondContact O-CB 3.45Å; D180-H184 PolarHBondContact O-N 2.98Å; D180-H184 IonicContact OD1-CD2 2.79Å; D180-H184 PolarHBondContact OD1-CD2 2.86Å; D180-H184 VanDerWaalsContact OD1-CD2 3.25Å
185	E	95.6	Very high	97.4	Very high	78 Å²	78	31.9 Å²	31.9	36%	0.364	16%	0.156	S	C	.	.	I	π-helix	trans	-102.5	-8.7	-179.2	-62.1	-61.9	151.9	0	0	113.6	K140 H160 W181	K140-E185 VanDerWaalsContact CD-O 3.24Å; K140-E185 WeakPolarHBondContact CD-O 3.43Å; K140-E185 PolarHBondContact NZ-O 2.84Å; H160-E185 VanDerWaalsContact CE1-CG 3.49Å; H160-E185 WeakPolarHBondContact CE1-CG 3.04Å; H160-E185 IonicContact CE1-OE2 3.4Å; H160-E185 PolarHBondContact CE1-OE2 3.23Å; H160-E185 VanDerWaalsContact NE2-CB 3.28Å; H160-E185 WeakPolarHBondContact NE2-CB 3.45Å; H160-E185 WeakPolarHBondContact NE2-CG 3.27Å; H160-E185 IonicContact NE2-OE2 3.02Å; W181-E185 CarbonylContact O-C 3.56Å; W181-E185 WeakPolarHBondContact O-CA 3.44Å; W181-E185 WeakPolarHBondContact O-CB 3.4Å; W181-E185 PolarHBondContact O-N 3.31Å; W181-E185 VanDerWaalsContact O-N 3.15Å
186	N	93.9	Very high	97.4	Very high	114 Å²	114	32.9 Å²	32.9	61%	0.61	16%	0.161	S	C	*	.			trans	56.9	47.2	179.6	-169.6	39.8	0	0	0	113.3	W181	W181-N186 PolarHBondContact O-N 2.99Å
187	I	97.5	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.			trans	-66.5	150	166.4	69.7	172	0	0	0	110.6	K29 K140 W181 F182	K29-I187 PolarHBondContact NZ-O 2.87Å; K140-I187 HydrophobicContact CB-CB 4.42Å; K140-I187 HydrophobicContact CB-CG2 4.02Å; K140-I187 WeakPolarHBondContact O-CA 3.23Å; K140-I187 WeakPolarHBondContact O-CB 3.39Å; W181-I187 HydrophobicContact CB-CD1 3.67Å; W181-I187 HydrophobicContact CB-CG1 4.09Å; W181-I187 HydrophobicContact CB-CG2 4.16Å; W181-I187 HydrophobicContact CE3-CD1 4.47Å; W181-I187 PolarHBondContact O-N 3.11Å; F182-I187 HydrophobicContact CB-CG1 4.32Å; F182-I187 HydrophobicContact CD1-CD1 4.26Å; F182-I187 HydrophobicContact CD1-CG1 3.59Å; F182-I187 WeakPolarHBondContact CD1-O 3.39Å; F182-I187 HydrophobicContact CD2-CD1 3.82Å; F182-I187 HydrophobicContact CD2-CG1 4.02Å; F182-I187 HydrophobicContact CE1-CD1 4.23Å; F182-I187 HydrophobicContact CE1-CG1 3.76Å; F182-I187 WeakPolarHBondContact CE1-O 3.3Å; F182-I187 HydrophobicContact CE2-CD1 3.74Å; F182-I187 HydrophobicContact CE2-CG1 4.15Å; F182-I187 HydrophobicContact CG-CD1 4.05Å; F182-I187 HydrophobicContact CG-CG1 3.72Å; F182-I187 HydrophobicContact CZ-CD1 3.97Å; F182-I187 HydrophobicContact CZ-CG1 4.03Å
188	N	97.8	Very high	97.5	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.059	14%	0.137	C	C	.	.	S	Bend	trans	-106.5	-17.9	167.7	70.2	-31.5	0	0	0	112.2	K29 V30 N134 H139 K140	K29-N188 CarbonylContact C-O 3.33Å; K29-N188 WeakPolarHBondContact CA-O 3.37Å; K29-N188 HydrophobicContact CG-CB 4.47Å; V30-N188 PolarHBondContact N-O 3.38Å; N134-N188 PolarHBondContact ND2-OD1 2.89Å; N134-N188 PolarHBondContact OD1-ND2 3.32Å; N134-N188 PolarHBondContact OD1-OD1 3.22Å; H139-N188 WeakPolarHBondContact CB-OD1 3.37Å; K140-N188 PolarHBondContact O-N 3.35Å; K140-N188 VanDerWaalsContact O-N 3.07Å; K140-N188 PolarHBondContact O-OD1 3.06Å
189	L	98.8	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.4	-178.3	178.5	59.7	0	0	0	110.9	V30 I130 N134 S141 G142 L191 I394 L398	V30-L189 HydrophobicContact CB-CD1 4.07Å; V30-L189 HydrophobicContact CG1-CD1 4.15Å; V30-L189 WeakPolarHBondContact O-CA 3.34Å; I130-L189 HydrophobicContact CB-CD2 4.38Å; I130-L189 HydrophobicContact CG1-CD2 3.8Å; I130-L189 HydrophobicContact CG2-CD2 3.94Å; N134-L189 HydrophobicContact CB-CD2 4.16Å; S141-L189 CarbonylContact C-O 3.48Å; S141-L189 VanDerWaalsContact CA-O 3.31Å; S141-L189 WeakPolarHBondContact CA-O 3.4Å; G142-L189 PolarHBondContact N-O 3.15Å; L189-L191 HydrophobicContact CD1-CD2 3.85Å; L189-L191 HydrophobicContact CG-CD2 4.24Å; L189-L191 HydrophobicContact CG-CG 4.46Å; L189-I394 HydrophobicContact CD1-CG2 4.02Å; L189-L398 HydrophobicContact CB-CD1 4.09Å; L189-L398 HydrophobicContact CD1-CD1 4.15Å; L189-L398 HydrophobicContact CD2-CD1 4.37Å; L189-L398 HydrophobicContact CG-CD1 4.44Å
190	G	98.8	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.5	173	0	0	0	0	0	111	V30 I31 L32 G142	V30-G190 PolarHBondContact O-N 3.11Å; I31-G190 CarbonylContact C-O 3.58Å; I31-G190 VanDerWaalsContact CA-O 3.28Å; I31-G190 WeakPolarHBondContact CA-O 3.49Å; L32-G190 PolarHBondContact N-O 3.25Å; G142-G190 CarbonylContact O-C 3.38Å; G142-G190 VanDerWaalsContact O-CA 3.31Å; G142-G190 WeakPolarHBondContact O-CA 3.28Å
191	L	98.9	Very high	97.5	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.8	173.5	-53.1	-177.9	0	0	0	109.9	L32 V85 I130 W131 G142 V143 T144 W146 L189	L32-L191 HydrophobicContact CB-CD2 3.64Å; L32-L191 HydrophobicContact CD2-CD2 3.93Å; L32-L191 HydrophobicContact CG-CD2 4.34Å; L32-L191 CarbonylContact O-C 3.58Å; L32-L191 WeakPolarHBondContact O-CA 3.35Å; V85-L191 HydrophobicContact CG1-CD1 4.03Å; I130-L191 HydrophobicContact CG2-CD1 3.98Å; I130-L191 HydrophobicContact CG2-CD2 4.44Å; W131-L191 HydrophobicContact CE3-CD1 3.49Å; W131-L191 VanDerWaalsContact CE3-CD1 3.49Å; W131-L191 HydrophobicContact CZ3-CD1 3.81Å; G142-L191 PolarHBondContact O-N 3.25Å; V143-L191 WeakPolarHBondContact CA-O 3.45Å; V143-L191 HydrophobicContact CG1-CB 4.21Å; V143-L191 HydrophobicContact CG2-CB 4.07Å; V143-L191 HydrophobicContact CG2-CD1 3.94Å; V143-L191 HydrophobicContact CG2-CG 4.14Å; T144-L191 PolarHBondContact N-O 3.11Å; T144-L191 PolarHBondContact OG1-O 3.47Å; W146-L191 HydrophobicContact CD2-CB 4.37Å; W146-L191 HydrophobicContact CE3-CB 3.74Å; W146-L191 HydrophobicContact CZ3-CB 4.22Å; L189-L191 HydrophobicContact CD1-CD2 3.85Å; L189-L191 HydrophobicContact CG-CD2 4.24Å; L189-L191 HydrophobicContact CG-CG 4.46Å
192	M	98.8	Very high	97.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119.7	178.2	178.4	172.8	96.7	0	0	111.7	L32 I33 S34 T144 F171 R174 I175 L178	L32-M192 PolarHBondContact O-N 2.87Å; I33-M192 CarbonylContact C-O 3.47Å; I33-M192 VanDerWaalsContact CA-O 3.28Å; I33-M192 WeakPolarHBondContact CA-O 3.49Å; I33-M192 HydrophobicContact CB-CE 4.42Å; I33-M192 HydrophobicContact CD1-CE 3.64Å; I33-M192 HydrophobicContact CG1-CB 4.31Å; I33-M192 HydrophobicContact CG1-CE 3.88Å; I33-M192 HydrophobicContact CG2-CE 3.71Å; S34-M192 PolarHBondContact N-O 3.09Å; T144-M192 VanDerWaalsContact OG1-CA 3.24Å; T144-M192 WeakPolarHBondContact OG1-CA 3.42Å; T144-M192 VanDerWaalsContact OG1-CB 3.25Å; T144-M192 WeakPolarHBondContact OG1-CB 3.24Å; T144-M192 VanDerWaalsContact OG1-CG 3.23Å; T144-M192 WeakPolarHBondContact OG1-CG 3.49Å; F171-M192 HydrophobicContact CD1-CE 4.05Å; F171-M192 HydrophobicContact CD2-CE 4.22Å; F171-M192 HydrophobicContact CE1-CE 3.51Å; F171-M192 HydrophobicContact CE2-CE 3.69Å; F171-M192 HydrophobicContact CG-CE 4.39Å; F171-M192 HydrophobicContact CZ-CE 3.3Å; R174-M192 HydrophobicContact CB-CG 4.2Å; R174-M192 HydrophobicContact CB-SD 3.49Å; R174-M192 WeakPolarHBondContact CB-SD 3.36Å; I175-M192 HydrophobicContact CG1-CE 4.47Å; I175-M192 HydrophobicContact CG1-SD 4.41Å; L178-M192 HydrophobicContact CD1-CB 3.89Å; L178-M192 HydrophobicContact CD1-SD 4.28Å
193	Y	98.5	Very high	97.5	Very high	24 Å²	24	35 Å²	35	9%	0.094	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	143.6	166.1	160.5	-103.8	0	0	0	109.4	D36 T77 H81 T144 F145 Y165 R174 H195	D36-Y193 HydrophobicContact CB-CE2 3.72Å; D36-Y193 WeakPolarHBondContact OD2-CE2 3.16Å; D36-Y193 PolarHBondContact OD2-OH 2.93Å; T77-Y193 HydrophobicContact CG2-CE2 4.27Å; H81-Y193 AromaticContact CE1-CD2 3.36Å; H81-Y193 WeakPolarHBondContact CE1-CD2 3.4Å; H81-Y193 AromaticContact CE1-CE2 3.45Å; H81-Y193 VanDerWaalsContact CE1-CE2 3.45Å; H81-Y193 WeakPolarHBondContact CE1-CE2 3.39Å; H81-Y193 AromaticContact NE2-CD2 3.76Å; T144-Y193 PolarHBondContact O-N 3.17Å; T144-Y193 VanDerWaalsContact O-N 3.09Å; F145-Y193 HydrophobicContact CB-CD1 3.94Å; F145-Y193 WeakPolarHBondContact O-CB 3.47Å; F145-Y193 VanDerWaalsContact O-CD1 3.3Å; F145-Y193 WeakPolarHBondContact O-CD1 3.37Å; Y165-Y193 HydrophobicContact CE2-CD1 4.09Å; Y165-Y193 AromaticContact CE2-CE1 3.64Å; Y165-Y193 HydrophobicContact CE2-CE1 3.64Å; R174-Y193 PolarHBondContact NH1-O 3.24Å; Y193-H195 HydrophobicContact CE1-CB 4.3Å
194	Y	98.6	Very high	97.7	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.02	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.3	169.4	-172.4	-109	0	0	0	111.2	S34 D36 F171 Q196 E217 I218	S34-Y194 PolarHBondContact O-N 3.36Å; D36-Y194 WeakPolarHBondContact CB-O 3.24Å; D36-Y194 PolarHBondContact N-O 2.96Å; F171-Y194 HydrophobicContact CB-CD2 4.26Å; F171-Y194 HydrophobicContact CB-CE1 4.5Å; F171-Y194 HydrophobicContact CB-CE2 3.85Å; F171-Y194 AromaticContact CD2-CD1 3.43Å; F171-Y194 HydrophobicContact CD2-CD1 3.43Å; F171-Y194 VanDerWaalsContact CD2-CD1 3.43Å; F171-Y194 AromaticContact CD2-CD2 3.66Å; F171-Y194 HydrophobicContact CD2-CD2 3.66Å; F171-Y194 AromaticContact CD2-CE1 3.65Å; F171-Y194 HydrophobicContact CD2-CE1 3.65Å; F171-Y194 AromaticContact CD2-CE2 3.94Å; F171-Y194 HydrophobicContact CD2-CE2 3.94Å; F171-Y194 AromaticContact CD2-CG 3.4Å; F171-Y194 HydrophobicContact CD2-CG 3.4Å; F171-Y194 VanDerWaalsContact CD2-CG 3.4Å; F171-Y194 AromaticContact CD2-CZ 3.92Å; F171-Y194 AromaticContact CE2-CD1 3.84Å; F171-Y194 HydrophobicContact CE2-CD1 3.84Å; F171-Y194 HydrophobicContact CE2-CD2 4.49Å; F171-Y194 HydrophobicContact CE2-CE1 4.41Å; F171-Y194 AromaticContact CE2-CG 3.86Å; F171-Y194 HydrophobicContact CE2-CG 3.86Å; F171-Y194 HydrophobicContact CG-CD2 4.38Å; F171-Y194 HydrophobicContact CG-CE2 4.39Å; F171-Y194 HydrophobicContact CG-CG 4.5Å; Y194-Q196 HydrophobicContact CD1-CB 3.85Å; Y194-Q196 HydrophobicContact CD1-CG 4.4Å; Y194-Q196 HydrophobicContact CE1-CB 3.52Å; Y194-Q196 HydrophobicContact CE1-CG 3.75Å; Y194-Q196 PolarHBondContact O-N 2.83Å; Y194-E217 PolarHBondContact OH-OE1 3.2Å; Y194-I218 HydrophobicContact CD1-CD1 4.43Å; Y194-I218 HydrophobicContact CD1-CG1 4.1Å; Y194-I218 HydrophobicContact CE1-CD1 4.45Å; Y194-I218 HydrophobicContact CE1-CG1 3.88Å
195	H	98.1	Very high	97.9	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.069	14%	0.137	C	C	.	.			trans	-74.5	8	-165.8	67.5	-79.2	0	0	0	116.4	Y165 E167 Y193 R199	Y165-H195 WeakPolarHBondContact OH-CB 3.36Å; E167-H195 IonicContact OE1-CD2 3.25Å; E167-H195 PolarHBondContact OE1-CD2 3.31Å; E167-H195 IonicContact OE1-NE2 3.61Å; E167-H195 PolarHBondContact OE1-NE2 3.21Å; Y193-H195 HydrophobicContact CE1-CB 4.3Å; H195-R199 PolarHBondContact O-N 3.15Å
196	Q	98.7	Very high	98	Very high	22 Å²	22	25.2 Å²	25.2	10%	0.103	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	152.7	-178	-67.6	-75	18	0	0	110.5	D36 Y194 A214 I218	D36-Q196 PolarHBondContact N-O 2.79Å; D36-Q196 CarbonylContact O-C 3.54Å; Y194-Q196 HydrophobicContact CD1-CB 3.85Å; Y194-Q196 HydrophobicContact CD1-CG 4.4Å; Y194-Q196 HydrophobicContact CE1-CB 3.52Å; Y194-Q196 HydrophobicContact CE1-CG 3.75Å; Y194-Q196 PolarHBondContact O-N 2.83Å; Q196-A214 HydrophobicContact CB-CB 4.22Å; Q196-A214 HydrophobicContact CG-CB 4.37Å; Q196-I218 HydrophobicContact CB-CD1 4.02Å; Q196-I218 WeakPolarHBondContact O-CD1 3.39Å
197	P	98.6	Very high	98.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.9	8.4	3.8	36.2	-38.7	0	0	0	115.4	D36 F38 Y42 R199 A200 G201 V211 A214 I215	D36-P197 VanDerWaalsContact O-CD 3.24Å; D36-P197 WeakPolarHBondContact O-CD 3.31Å; D36-P197 VanDerWaalsContact O-N 3.15Å; F38-P197 HydrophobicContact CB-CG 4.24Å; F38-P197 HydrophobicContact CD2-CG 4.2Å; F38-P197 HydrophobicContact CG-CG 4.36Å; Y42-P197 HydrophobicContact CD2-CG 3.99Å; Y42-P197 HydrophobicContact CE2-CG 3.72Å; P197-R199 VanDerWaalsContact C-N 3.35Å; P197-R199 PolarHBondContact O-N 3.42Å; P197-A200 WeakPolarHBondContact O-CB 3.45Å; P197-A200 PolarHBondContact O-N 2.84Å; P197-A200 VanDerWaalsContact O-N 3.09Å; P197-G201 PolarHBondContact O-N 3.06Å; P197-V211 HydrophobicContact CB-CG1 4.05Å; P197-V211 HydrophobicContact CG-CG1 4.45Å; P197-A214 HydrophobicContact CB-CB 4.09Å; P197-I215 HydrophobicContact CB-CG1 4.28Å; P197-I215 HydrophobicContact CG-CG1 4.25Å
198	D	98.6	Very high	98.1	Very high	14 Å²	14	22.4 Å²	22.4	8%	0.075	11%	0.111	C	C	.	.	H	α-helix	trans	-47.3	-52.3	-178.5	-177.4	74.4	0	0	0	113.4	D36 A200 G201 H202 H247 M249 H353	D36-D198 HydrophobicContact CB-CB 3.75Å; D36-D198 VanDerWaalsContact CG-CB 3.49Å; D36-D198 WeakPolarHBondContact O-CB 3.07Å; D36-D198 PolarHBondContact O-N 2.99Å; D36-D198 WeakPolarHBondContact OD1-CB 3.31Å; D198-A200 VanDerWaalsContact C-N 3.32Å; D198-A200 PolarHBondContact O-N 2.96Å; D198-G201 CarbonylContact O-C 3.57Å; D198-G201 WeakPolarHBondContact O-CA 3.42Å; D198-G201 PolarHBondContact O-N 2.75Å; D198-H202 PolarHBondContact O-N 3.35Å; D198-H202 IonicContact OD1-CD2 3.65Å; D198-H202 IonicContact OD1-NE2 3.8Å; D198-H202 IonicContact OD2-CD2 3.98Å; D198-H202 PolarHBondContact OD2-CD2 2.97Å; D198-H202 IonicContact OD2-NE2 3.52Å; D198-H202 PolarHBondContact OD2-NE2 3.04Å; D198-H247 IonicContact OD1-CE1 2.93Å; D198-H247 PolarHBondContact OD1-CE1 3.28Å; D198-M249 WeakPolarHBondContact OD1-CE 3.25Å; D198-H353 IonicContact OD1-CD2 3.8Å; D198-H353 IonicContact OD1-NE2 3.24Å
199	R	97.9	Very high	98.2	Very high	124 Å²	124	26.8 Å²	26.8	47%	0.468	14%	0.135	S	C	.	.	H	α-helix	trans	-55.5	-46.3	179.4	177.8	177.5	-178.7	-173.8	11.9	112.4	E167 H195 P197 G201 H202 I203	E167-R199 WeakPolarHBondContact OE1-CD 3.38Å; E167-R199 IonicContact OE1-CZ 3.62Å; E167-R199 IonicContact OE1-NE 2.85Å; E167-R199 PolarHBondContact OE1-NE 3.33Å; E167-R199 IonicContact OE1-NH1 3.49Å; E167-R199 PolarHBondContact OE1-NH1 2.67Å; H195-R199 PolarHBondContact O-N 3.15Å; P197-R199 VanDerWaalsContact C-N 3.35Å; P197-R199 PolarHBondContact O-N 3.42Å; R199-G201 VanDerWaalsContact C-N 3.32Å; R199-H202 PolarHBondContact O-N 3.05Å; R199-I203 HydrophobicContact CG-CD1 3.93Å; R199-I203 WeakPolarHBondContact O-CG1 3.43Å; R199-I203 PolarHBondContact O-N 3.11Å; R199-I203 VanDerWaalsContact O-N 3.14Å
200	A	98.6	Very high	98.2	Very high	7 Å²	7	30 Å²	30	6%	0.058	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-42.7	176.4	0	0	0	0	0	111	P197 D198 H202 I203 H204 E210 V211 A214	P197-A200 WeakPolarHBondContact O-CB 3.45Å; P197-A200 PolarHBondContact O-N 2.84Å; P197-A200 VanDerWaalsContact O-N 3.09Å; D198-A200 VanDerWaalsContact C-N 3.32Å; D198-A200 PolarHBondContact O-N 2.96Å; A200-H202 PolarHBondContact O-N 3.38Å; A200-I203 PolarHBondContact O-N 3.29Å; A200-H204 WeakPolarHBondContact O-CB 3.31Å; A200-H204 PolarHBondContact O-N 3.49Å; A200-E210 HydrophobicContact CB-CB 4.23Å; A200-V211 HydrophobicContact CB-CG2 4.08Å; A200-A214 HydrophobicContact CB-CB 4.27Å
201	G	98.4	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-43.7	176.7	0	0	0	0	0	113.1	P197 D198 R199 G205 G351	P197-G201 PolarHBondContact O-N 3.06Å; D198-G201 CarbonylContact O-C 3.57Å; D198-G201 WeakPolarHBondContact O-CA 3.42Å; D198-G201 PolarHBondContact O-N 2.75Å; R199-G201 VanDerWaalsContact C-N 3.32Å; G201-G205 CarbonylContact O-C 3.54Å; G201-G205 VanDerWaalsContact O-C 3.31Å; G201-G205 WeakPolarHBondContact O-CA 3.4Å; G201-G205 PolarHBondContact O-N 2.72Å; G201-G351 WeakPolarHBondContact O-CA 3.34Å; G201-G351 PolarHBondContact O-N 3.06Å
202	H	96.9	Very high	98.2	Very high	38 Å²	38	30.1 Å²	30.1	18%	0.176	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-49.8	174.4	-87.5	-41.7	0	0	0	112.1	D198 R199 A200 N349 K350 G351 H353	D198-H202 PolarHBondContact O-N 3.35Å; D198-H202 IonicContact OD1-CD2 3.65Å; D198-H202 IonicContact OD1-NE2 3.8Å; D198-H202 IonicContact OD2-CD2 3.98Å; D198-H202 PolarHBondContact OD2-CD2 2.97Å; D198-H202 IonicContact OD2-NE2 3.52Å; D198-H202 PolarHBondContact OD2-NE2 3.04Å; R199-H202 PolarHBondContact O-N 3.05Å; A200-H202 PolarHBondContact O-N 3.38Å; H202-N349 PolarHBondContact ND1-ND2 3.23Å; H202-N349 CarbonylContact O-C 3.39Å; H202-N349 WeakPolarHBondContact O-CA 3.43Å; H202-N349 WeakPolarHBondContact O-CB 3.4Å; H202-K350 PolarHBondContact O-N 2.88Å; H202-G351 PolarHBondContact ND1-O 3.48Å; H202-G351 PolarHBondContact O-N 3.33Å; H202-H353 AromaticContact CE1-CD2 3.49Å; H202-H353 PolarHBondContact CE1-CD2 3.19Å; H202-H353 VanDerWaalsContact CE1-CD2 3.49Å; H202-H353 AromaticContact CE1-NE2 3.52Å; H202-H353 AromaticContact NE2-CD2 3.69Å; H202-H353 AromaticContact NE2-NE2 3.29Å; H202-H353 PolarHBondContact NE2-NE2 2.8Å
203	I	97.1	Very high	98.1	Very high	76 Å²	76	36.6 Å²	36.6	39%	0.39	18%	0.178	S	C	.	.	H	α-helix	trans	-74	-41.5	-173.4	-62	168	0	0	0	111.7	R199 A200	R199-I203 HydrophobicContact CG-CD1 3.93Å; R199-I203 WeakPolarHBondContact O-CG1 3.43Å; R199-I203 PolarHBondContact O-N 3.11Å; R199-I203 VanDerWaalsContact O-N 3.14Å; A200-I203 PolarHBondContact O-N 3.29Å
204	H	97.6	Very high	98.1	Very high	72 Å²	72	35.7 Å²	35.7	33%	0.333	18%	0.176	S	C	.	.	H	α-helix	trans	-112.3	-17.7	-166.7	-61.1	-90.4	0	0	0	114.1	A200 S208 E210 K350	A200-H204 WeakPolarHBondContact O-CB 3.31Å; A200-H204 PolarHBondContact O-N 3.49Å; H204-S208 WeakPolarHBondContact CB-OG 3.32Å; H204-E210 HydrophobicContact CB-CB 4.17Å; H204-E210 HydrophobicContact CB-CG 4.3Å; H204-E210 VanDerWaalsContact CB-OE2 3.29Å; H204-E210 WeakPolarHBondContact CB-OE2 3.49Å; H204-E210 IonicContact CE1-OE1 2.76Å; H204-E210 PolarHBondContact CE1-OE1 3.48Å; H204-E210 IonicContact CG-OE1 3.41Å; H204-E210 IonicContact CG-OE2 2.65Å; H204-E210 IonicContact ND1-OE1 2.71Å; H204-E210 PolarHBondContact ND1-OE1 3.01Å; H204-E210 IonicContact ND1-OE2 3.41Å; H204-K350 WeakPolarHBondContact O-CD 3.5Å
205	G	97.7	Very high	98.2	Very high	4 Å²	4	35.5 Å²	35.5	4%	0.041	18%	0.175	C	C	.	.			trans	108.9	154	-177.1	0	0	0	0	0	112.1	G201 A207 S208 V211 N251	G201-G205 CarbonylContact O-C 3.54Å; G201-G205 VanDerWaalsContact O-C 3.31Å; G201-G205 WeakPolarHBondContact O-CA 3.4Å; G201-G205 PolarHBondContact O-N 2.72Å; G205-A207 PolarHBondContact O-N 2.85Å; G205-S208 PolarHBondContact O-N 3.12Å; G205-V211 WeakPolarHBondContact O-CG2 3.43Å; G205-N251 WeakPolarHBondContact CA-OD1 3.2Å
206	A	97.7	Very high	98.2	Very high	2 Å²	2	38 Å²	38	2%	0.017	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.5	-170.4	0	0	0	0	0	115.4	Y42 M249 N251	Y42-A206 WeakPolarHBondContact CE1-O 3.24Å; Y42-A206 PolarHBondContact OH-O 3.23Å; A206-M249 HydrophobicContact CB-CB 4.08Å; A206-M249 HydrophobicContact CB-CG 3.66Å; A206-N251 PolarHBondContact N-OD1 2.94Å
207	A	96.9	Very high	98.2	Very high	35 Å²	35	41.4 Å²	41.4	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	28.9	-178.8	0	0	0	0	0	112	M45 R49 G205	M45-A207 HydrophobicContact SD-CB 4.43Å; R49-A207 PolarHBondContact NH2-O 2.91Å; G205-A207 PolarHBondContact O-N 2.85Å
208	S	98.2	Very high	98.2	Very high	19 Å²	19	41.3 Å²	41.3	13%	0.133	20%	0.203	C	C	.	.	S	Bend	trans	-74.4	164.2	177.5	85.7	0	0	0	0	111.7	H204 G205 E210 V211 F212	H204-S208 WeakPolarHBondContact CB-OG 3.32Å; G205-S208 PolarHBondContact O-N 3.12Å; S208-E210 WeakPolarHBondContact CB-OE2 3.33Å; S208-E210 PolarHBondContact O-N 3.11Å; S208-E210 PolarHBondContact OG-N 3.38Å; S208-E210 PolarHBondContact OG-OE2 2.72Å; S208-V211 WeakPolarHBondContact O-CB 3.28Å; S208-V211 PolarHBondContact O-N 3.4Å; S208-V211 PolarHBondContact OG-N 2.97Å; S208-F212 WeakPolarHBondContact O-CD2 3.33Å
209	D	98.4	Very high	98.2	Very high	103 Å²	103	40.7 Å²	40.7	55%	0.551	20%	0.199	S	C	*	.	H	α-helix	trans	-64.2	-27.9	177.5	-64.4	-19.2	0	0	0	112.2	R49 F212 K213	R49-D209 IonicContact NH1-OD1 2.71Å; R49-D209 PolarHBondContact NH1-OD1 3.05Å; D209-F212 PolarHBondContact O-N 3.25Å; D209-K213 WeakPolarHBondContact O-CG 3.39Å; D209-K213 PolarHBondContact O-N 3.42Å
210	E	98.6	Very high	98.2	Very high	67 Å²	67	39.2 Å²	39.2	31%	0.313	20%	0.197	S	C	.	.	H	α-helix	trans	-67.2	-34.7	176.1	-59.6	86.1	170.7	0	0	112.9	A200 H204 S208 F212 K213 A214	A200-E210 HydrophobicContact CB-CB 4.23Å; H204-E210 HydrophobicContact CB-CB 4.17Å; H204-E210 HydrophobicContact CB-CG 4.3Å; H204-E210 VanDerWaalsContact CB-OE2 3.29Å; H204-E210 WeakPolarHBondContact CB-OE2 3.49Å; H204-E210 IonicContact CE1-OE1 2.76Å; H204-E210 PolarHBondContact CE1-OE1 3.48Å; H204-E210 IonicContact CG-OE1 3.41Å; H204-E210 IonicContact CG-OE2 2.65Å; H204-E210 IonicContact ND1-OE1 2.71Å; H204-E210 PolarHBondContact ND1-OE1 3.01Å; H204-E210 IonicContact ND1-OE2 3.41Å; S208-E210 WeakPolarHBondContact CB-OE2 3.33Å; S208-E210 PolarHBondContact O-N 3.11Å; S208-E210 PolarHBondContact OG-N 3.38Å; S208-E210 PolarHBondContact OG-OE2 2.72Å; E210-F212 VanDerWaalsContact C-N 3.29Å; E210-F212 PolarHBondContact O-N 3.14Å; E210-K213 PolarHBondContact O-N 2.86Å; E210-A214 WeakPolarHBondContact O-CB 3.49Å; E210-A214 PolarHBondContact O-N 3.21Å
211	V	98.8	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.5	-44.1	170.9	165.6	0	0	0	0	110.1	Y42 P197 A200 G205 S208 A214 I215	Y42-V211 HydrophobicContact CD2-CG1 4.29Å; Y42-V211 HydrophobicContact CE1-CG1 4.28Å; Y42-V211 HydrophobicContact CE2-CG1 3.88Å; P197-V211 HydrophobicContact CB-CG1 4.05Å; P197-V211 HydrophobicContact CG-CG1 4.45Å; A200-V211 HydrophobicContact CB-CG2 4.08Å; G205-V211 WeakPolarHBondContact O-CG2 3.43Å; S208-V211 WeakPolarHBondContact O-CB 3.28Å; S208-V211 PolarHBondContact O-N 3.4Å; S208-V211 PolarHBondContact OG-N 2.97Å; V211-A214 WeakPolarHBondContact O-CB 3.38Å; V211-A214 PolarHBondContact O-N 3.08Å; V211-I215 HydrophobicContact CG1-CD1 3.86Å; V211-I215 VanDerWaalsContact O-CG1 3.3Å; V211-I215 WeakPolarHBondContact O-CG1 3.35Å; V211-I215 PolarHBondContact O-N 3.11Å
212	F	98.7	Very high	98.2	Very high	3 Å²	3	39 Å²	39	1%	0.013	20%	0.196	C	C	.	.	H	α-helix	trans	-74.3	-30	-178.9	-67	-72.3	0	0	0	113.6	M45 A46 R49 I51 S208 D209 E210 I215 E216	M45-F212 HydrophobicContact CB-CE1 3.58Å; M45-F212 HydrophobicContact CB-CZ 3.44Å; M45-F212 VanDerWaalsContact CB-CZ 3.44Å; M45-F212 HydrophobicContact CG-CZ 4.4Å; M45-F212 HydrophobicContact SD-CZ 4.2Å; A46-F212 HydrophobicContact CB-CD1 4.08Å; A46-F212 HydrophobicContact CB-CE1 4.21Å; R49-F212 VanDerWaalsContact CZ-CD2 3.46Å; R49-F212 VanDerWaalsContact NE-CE2 3.27Å; R49-F212 VanDerWaalsContact NH1-CD2 3.33Å; I51-F212 HydrophobicContact CD1-CB 3.89Å; I51-F212 HydrophobicContact CG1-CB 3.96Å; I51-F212 HydrophobicContact CG1-CD1 4.2Å; I51-F212 HydrophobicContact CG1-CG 4.35Å; S208-F212 WeakPolarHBondContact O-CD2 3.33Å; D209-F212 PolarHBondContact O-N 3.25Å; E210-F212 VanDerWaalsContact C-N 3.29Å; E210-F212 PolarHBondContact O-N 3.14Å; F212-I215 HydrophobicContact CD1-CD1 3.86Å; F212-I215 HydrophobicContact CE1-CD1 4.06Å; F212-I215 PolarHBondContact O-N 3.5Å; F212-E216 PolarHBondContact O-N 2.94Å
213	K	98.6	Very high	98.3	Very high	137 Å²	137	41.9 Å²	41.9	60%	0.596	21%	0.21	S	C	*	.	H	α-helix	trans	-63.3	-42.1	167.5	-71.7	172.6	-175.7	173.2	0	111.7	D209 E210 E216 E217	D209-K213 WeakPolarHBondContact O-CG 3.39Å; D209-K213 PolarHBondContact O-N 3.42Å; E210-K213 PolarHBondContact O-N 2.86Å; K213-E216 PolarHBondContact O-N 3.49Å; K213-E217 PolarHBondContact O-N 3.05Å
214	A	98.6	Very high	98.4	Very high	6 Å²	6	42.4 Å²	42.4	5%	0.05	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-38.1	176.1	0	0	0	0	0	111.9	Q196 P197 A200 E210 V211 E217 I218	Q196-A214 HydrophobicContact CB-CB 4.22Å; Q196-A214 HydrophobicContact CG-CB 4.37Å; P197-A214 HydrophobicContact CB-CB 4.09Å; A200-A214 HydrophobicContact CB-CB 4.27Å; E210-A214 WeakPolarHBondContact O-CB 3.49Å; E210-A214 PolarHBondContact O-N 3.21Å; V211-A214 WeakPolarHBondContact O-CB 3.38Å; V211-A214 PolarHBondContact O-N 3.08Å; A214-E217 WeakPolarHBondContact O-CB 3.45Å; A214-E217 PolarHBondContact O-N 2.82Å; A214-I218 VanDerWaalsContact O-CG1 3.29Å; A214-I218 WeakPolarHBondContact O-CG1 3.25Å; A214-I218 PolarHBondContact O-N 3.04Å
215	I	98.7	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-41.2	173.4	-69.4	163.9	0	0	0	111.4	F38 Y42 M53 F56 P197 V211 F212 I218 N219	F38-I215 HydrophobicContact CD2-CG1 4.43Å; F38-I215 HydrophobicContact CE2-CB 4.49Å; F38-I215 HydrophobicContact CE2-CD1 4.49Å; F38-I215 HydrophobicContact CE2-CG1 3.84Å; F38-I215 HydrophobicContact CE2-CG2 4.14Å; F38-I215 HydrophobicContact CZ-CD1 4.41Å; F38-I215 HydrophobicContact CZ-CG1 4.19Å; F38-I215 HydrophobicContact CZ-CG2 4.16Å; Y42-I215 HydrophobicContact CD2-CD1 3.86Å; Y42-I215 HydrophobicContact CG-CD1 3.95Å; M53-I215 HydrophobicContact CE-CG2 3.85Å; M53-I215 HydrophobicContact SD-CG2 3.46Å; M53-I215 WeakPolarHBondContact SD-CG2 3.25Å; F56-I215 HydrophobicContact CE2-CG2 4.5Å; P197-I215 HydrophobicContact CB-CG1 4.28Å; P197-I215 HydrophobicContact CG-CG1 4.25Å; V211-I215 HydrophobicContact CG1-CD1 3.86Å; V211-I215 VanDerWaalsContact O-CG1 3.3Å; V211-I215 WeakPolarHBondContact O-CG1 3.35Å; V211-I215 PolarHBondContact O-N 3.11Å; F212-I215 HydrophobicContact CD1-CD1 3.86Å; F212-I215 HydrophobicContact CE1-CD1 4.06Å; F212-I215 PolarHBondContact O-N 3.5Å; I215-I218 PolarHBondContact O-N 3.41Å; I215-N219 PolarHBondContact O-N 3.05Å
216	E	98.5	Very high	98.5	Very high	69 Å²	69	39.4 Å²	39.4	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-64.5	-39.2	175.6	-171.3	166.6	-121.1	0	0	112.1	I51 N52 F212 K213 N219 H220	I51-E216 HydrophobicContact CG2-CB 3.93Å; I51-E216 HydrophobicContact CG2-CG 4.48Å; N52-E216 HydrophobicContact CB-CG 4.42Å; F212-E216 PolarHBondContact O-N 2.94Å; K213-E216 PolarHBondContact O-N 3.49Å; E216-N219 WeakPolarHBondContact O-CB 3.07Å; E216-N219 PolarHBondContact O-N 3.42Å; E216-H220 PolarHBondContact O-N 2.69Å; E216-H220 PolarHBondContact O-ND1 3.06Å
217	E	98.4	Very high	98.5	Very high	92 Å²	92	42.1 Å²	42.1	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-45.2	171.8	-177.8	-177.3	168.8	0	0	111.7	Y194 K213 A214 N219 H220 G221	Y194-E217 PolarHBondContact OH-OE1 3.2Å; K213-E217 PolarHBondContact O-N 3.05Å; A214-E217 WeakPolarHBondContact O-CB 3.45Å; A214-E217 PolarHBondContact O-N 2.82Å; E217-N219 VanDerWaalsContact C-N 3.3Å; E217-N219 PolarHBondContact O-N 3.49Å; E217-H220 PolarHBondContact O-N 3.06Å; E217-G221 PolarHBondContact O-N 3.29Å
218	I	98.7	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-41.8	175	-66.6	162.2	0	0	0	110.4	L35 F38 F56 F171 Y194 Q196 A214 I215 H220 G221 L222	L35-I218 HydrophobicContact CD1-CG2 3.79Å; L35-I218 HydrophobicContact CD2-CD1 4.33Å; L35-I218 HydrophobicContact CD2-CG1 4.48Å; L35-I218 HydrophobicContact CD2-CG2 3.8Å; L35-I218 HydrophobicContact CG-CG2 4.46Å; F38-I218 HydrophobicContact CD2-CD1 4.36Å; F56-I218 HydrophobicContact CE2-CG2 4.18Å; F56-I218 HydrophobicContact CZ-CB 4.5Å; F56-I218 HydrophobicContact CZ-CG2 3.64Å; F171-I218 HydrophobicContact CE2-CG2 4.23Å; F171-I218 HydrophobicContact CZ-CG2 4.44Å; Y194-I218 HydrophobicContact CD1-CD1 4.43Å; Y194-I218 HydrophobicContact CD1-CG1 4.1Å; Y194-I218 HydrophobicContact CE1-CD1 4.45Å; Y194-I218 HydrophobicContact CE1-CG1 3.88Å; Q196-I218 HydrophobicContact CB-CD1 4.02Å; Q196-I218 WeakPolarHBondContact O-CD1 3.39Å; A214-I218 VanDerWaalsContact O-CG1 3.29Å; A214-I218 WeakPolarHBondContact O-CG1 3.25Å; A214-I218 PolarHBondContact O-N 3.04Å; I215-I218 PolarHBondContact O-N 3.41Å; I218-H220 VanDerWaalsContact C-N 3.35Å; I218-H220 PolarHBondContact O-N 3.25Å; I218-G221 CarbonylContact O-C 3.49Å; I218-G221 WeakPolarHBondContact O-CA 3.39Å; I218-G221 PolarHBondContact O-N 2.89Å; I218-G221 VanDerWaalsContact O-N 3.11Å; I218-L222 HydrophobicContact CG2-CD1 4.15Å; I218-L222 HydrophobicContact CG2-CG 4.22Å; I218-L222 WeakPolarHBondContact O-CG 3.46Å; I218-L222 PolarHBondContact O-N 3.06Å
219	N	98.7	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-44.6	177.3	-176.5	75.9	0	0	0	111.6	N52 M53 S54 A55 F56 I215 E216 E217 G221 L222 E223	N52-N219 PolarHBondContact ND2-ND2 2.93Å; N52-N219 WeakPolarHBondContact O-CB 3.42Å; N52-N219 VanDerWaalsContact O-CG 3.26Å; N52-N219 PolarHBondContact O-ND2 3.28Å; N52-N219 PolarHBondContact OD1-ND2 3.31Å; M53-N219 WeakPolarHBondContact CA-OD1 3.39Å; S54-N219 PolarHBondContact N-OD1 3.01Å; S54-N219 PolarHBondContact OG-ND2 3.06Å; A55-N219 WeakPolarHBondContact CB-O 3.39Å; A55-N219 WeakPolarHBondContact CB-OD1 3.15Å; A55-N219 PolarHBondContact N-OD1 2.91Å; F56-N219 HydrophobicContact CD2-CB 4.1Å; F56-N219 HydrophobicContact CE2-CB 4.04Å; I215-N219 PolarHBondContact O-N 3.05Å; E216-N219 WeakPolarHBondContact O-CB 3.07Å; E216-N219 PolarHBondContact O-N 3.42Å; E217-N219 VanDerWaalsContact C-N 3.3Å; E217-N219 PolarHBondContact O-N 3.49Å; N219-G221 VanDerWaalsContact C-N 3.34Å; N219-G221 PolarHBondContact O-N 3.37Å; N219-L222 PolarHBondContact O-N 2.85Å; N219-E223 PolarHBondContact O-N 3.11Å
220	H	98.6	Very high	98.3	Very high	94 Å²	94	41.7 Å²	41.7	44%	0.435	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-40.1	173.5	-64.6	144.3	0	0	0	112.4	E216 E217 I218 L222 E223 Y224	E216-H220 PolarHBondContact O-N 2.69Å; E216-H220 PolarHBondContact O-ND1 3.06Å; E217-H220 PolarHBondContact O-N 3.06Å; I218-H220 VanDerWaalsContact C-N 3.35Å; I218-H220 PolarHBondContact O-N 3.25Å; H220-L222 VanDerWaalsContact C-N 3.34Å; H220-L222 PolarHBondContact O-N 3.26Å; H220-E223 PolarHBondContact O-N 3.43Å; H220-Y224 PolarHBondContact O-N 3.27Å
221	G	98.7	Very high	98.2	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-40.3	174	0	0	0	0	0	113	I175 E217 I218 N219 Y224 L225	I175-G221 WeakPolarHBondContact CD1-O 3.27Å; E217-G221 PolarHBondContact O-N 3.29Å; I218-G221 CarbonylContact O-C 3.49Å; I218-G221 WeakPolarHBondContact O-CA 3.39Å; I218-G221 PolarHBondContact O-N 2.89Å; I218-G221 VanDerWaalsContact O-N 3.11Å; N219-G221 VanDerWaalsContact C-N 3.34Å; N219-G221 PolarHBondContact O-N 3.37Å; G221-Y224 WeakPolarHBondContact O-CB 3.05Å; G221-Y224 PolarHBondContact O-N 3.49Å; G221-L225 PolarHBondContact O-N 3Å
222	L	98.7	Very high	97.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70	-37.4	175.8	-69.6	179.7	0	0	0	112.3	I33 A55 F56 I59 F171 I218 N219 H220 Y224 L225 L226 I243	I33-L222 HydrophobicContact CD1-CD2 4.3Å; A55-L222 HydrophobicContact CB-CB 3.72Å; F56-L222 HydrophobicContact CD1-CD1 3.6Å; F56-L222 HydrophobicContact CD2-CD1 4.17Å; F56-L222 HydrophobicContact CE1-CD1 3.29Å; F56-L222 HydrophobicContact CE2-CD1 3.88Å; F56-L222 HydrophobicContact CG-CD1 4.06Å; F56-L222 HydrophobicContact CZ-CD1 3.46Å; F56-L222 VanDerWaalsContact CZ-CD1 3.46Å; I59-L222 HydrophobicContact CD1-CD1 4.21Å; F171-L222 HydrophobicContact CE1-CD2 4.17Å; F171-L222 HydrophobicContact CZ-CD2 3.98Å; F171-L222 HydrophobicContact CZ-CG 4.42Å; I218-L222 HydrophobicContact CG2-CD1 4.15Å; I218-L222 HydrophobicContact CG2-CG 4.22Å; I218-L222 WeakPolarHBondContact O-CG 3.46Å; I218-L222 PolarHBondContact O-N 3.06Å; N219-L222 PolarHBondContact O-N 2.85Å; H220-L222 VanDerWaalsContact C-N 3.34Å; H220-L222 PolarHBondContact O-N 3.26Å; L222-Y224 VanDerWaalsContact C-N 3.29Å; L222-Y224 PolarHBondContact O-N 2.92Å; L222-L225 HydrophobicContact CD2-CD2 4.14Å; L222-L225 WeakPolarHBondContact O-CB 3.4Å; L222-L225 PolarHBondContact O-N 3.17Å; L222-L226 VanDerWaalsContact O-CG 3.26Å; L222-L226 WeakPolarHBondContact O-CG 3.15Å; L222-L226 PolarHBondContact O-N 3.18Å; L222-I243 HydrophobicContact CD1-CD1 4.11Å; L222-I243 HydrophobicContact CD2-CD1 3.67Å
223	E	98.7	Very high	97.4	Very high	98 Å²	98	51.1 Å²	51.1	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-43.8	172.1	-175.3	171.5	-163.8	0	0	111.2	A55 N219 H220 L226 T227	A55-E223 HydrophobicContact CB-CB 4.11Å; N219-E223 PolarHBondContact O-N 3.11Å; H220-E223 PolarHBondContact O-N 3.43Å; E223-L226 PolarHBondContact O-N 2.94Å; E223-T227 WeakPolarHBondContact O-CB 3.45Å; E223-T227 PolarHBondContact O-N 3.11Å; E223-T227 PolarHBondContact O-OG1 2.95Å
224	Y	98.7	Very high	96.8	Very high	87 Å²	87	47.6 Å²	47.6	34%	0.341	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-42.2	174.4	-176.4	-99.6	0	0	0	112.4	T172 I175 D176 H220 G221 L222 S228	T172-Y224 HydrophobicContact CG2-CD1 3.79Å; T172-Y224 HydrophobicContact CG2-CE1 4.39Å; T172-Y224 HydrophobicContact CG2-CG 3.91Å; I175-Y224 HydrophobicContact CB-CD1 4.24Å; I175-Y224 HydrophobicContact CB-CE1 4.29Å; I175-Y224 HydrophobicContact CD1-CD1 3.92Å; I175-Y224 HydrophobicContact CG2-CD1 3.99Å; I175-Y224 HydrophobicContact CG2-CE1 3.97Å; D176-Y224 WeakPolarHBondContact OD1-CE1 3.32Å; D176-Y224 PolarHBondContact OD1-OH 3.15Å; H220-Y224 PolarHBondContact O-N 3.27Å; G221-Y224 WeakPolarHBondContact O-CB 3.05Å; G221-Y224 PolarHBondContact O-N 3.49Å; L222-Y224 VanDerWaalsContact C-N 3.29Å; L222-Y224 PolarHBondContact O-N 2.92Å; Y224-S228 VanDerWaalsContact O-CB 3.25Å; Y224-S228 WeakPolarHBondContact O-CB 3.07Å; Y224-S228 PolarHBondContact O-N 3.22Å; Y224-S228 PolarHBondContact O-OG 3.43Å
225	L	98.6	Very high	96.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-51.4	174.9	175.7	61.9	0	0	0	111.8	I31 I33 I175 M179 G221 L222 T227 S228 I229 L241	I31-L225 HydrophobicContact CD1-CD1 4.44Å; I33-L225 HydrophobicContact CD1-CD2 3.34Å; I175-L225 HydrophobicContact CD1-CB 3.65Å; I175-L225 HydrophobicContact CG1-CB 4.26Å; I175-L225 HydrophobicContact CG1-CD1 4.18Å; I175-L225 HydrophobicContact CG2-CD1 3.88Å; M179-L225 HydrophobicContact CE-CD1 4.15Å; G221-L225 PolarHBondContact O-N 3Å; L222-L225 HydrophobicContact CD2-CD2 4.14Å; L222-L225 WeakPolarHBondContact O-CB 3.4Å; L222-L225 PolarHBondContact O-N 3.17Å; L225-T227 VanDerWaalsContact C-N 3.3Å; L225-T227 PolarHBondContact O-N 2.96Å; L225-S228 WeakPolarHBondContact O-CB 3.38Å; L225-S228 PolarHBondContact O-N 3.25Å; L225-S228 VanDerWaalsContact O-N 3.12Å; L225-I229 HydrophobicContact CD1-CD1 3.79Å; L225-I229 HydrophobicContact CD1-CG1 4.15Å; L225-I229 HydrophobicContact CG-CD1 3.82Å; L225-I229 WeakPolarHBondContact O-CG1 3.48Å; L225-I229 PolarHBondContact O-N 3.05Å; L225-L241 HydrophobicContact CD2-CD1 3.95Å; L225-L241 HydrophobicContact CD2-CD2 3.93Å
226	L	98.3	Very high	96	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-42.5	-177.7	-67.3	173.2	0	0	0	110.9	A55 K58 I59 L222 E223 I229 E230 L241 M369	A55-L226 HydrophobicContact CB-CD1 4.31Å; K58-L226 HydrophobicContact CB-CD1 4.32Å; K58-L226 HydrophobicContact CD-CD1 3.92Å; K58-L226 HydrophobicContact CG-CD1 4.26Å; I59-L226 HydrophobicContact CD1-CD1 4.28Å; I59-L226 HydrophobicContact CG1-CD1 4.01Å; I59-L226 HydrophobicContact CG1-CD2 4.13Å; L222-L226 VanDerWaalsContact O-CG 3.26Å; L222-L226 WeakPolarHBondContact O-CG 3.15Å; L222-L226 PolarHBondContact O-N 3.18Å; E223-L226 PolarHBondContact O-N 2.94Å; L226-I229 PolarHBondContact O-N 2.82Å; L226-E230 WeakPolarHBondContact O-CB 3.47Å; L226-E230 PolarHBondContact O-N 3.48Å; L226-L241 HydrophobicContact CD2-CD2 4.03Å; L226-M369 HydrophobicContact CD2-CE 4.23Å; L226-M369 HydrophobicContact CD2-SD 3.63Å
227	T	98.1	Very high	95.5	Very high	59 Å²	59	49.2 Å²	49.2	36%	0.362	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-43.7	174.4	-54.7	0	0	0	0	111.1	E223 L225 I229 E230 M231	E223-T227 WeakPolarHBondContact O-CB 3.45Å; E223-T227 PolarHBondContact O-N 3.11Å; E223-T227 PolarHBondContact O-OG1 2.95Å; L225-T227 VanDerWaalsContact C-N 3.3Å; L225-T227 PolarHBondContact O-N 2.96Å; T227-I229 VanDerWaalsContact C-N 3.33Å; T227-I229 PolarHBondContact O-N 3.37Å; T227-E230 PolarHBondContact O-N 3.18Å; T227-M231 HydrophobicContact CG2-CE 4Å; T227-M231 HydrophobicContact CG2-CG 4.4Å; T227-M231 HydrophobicContact CG2-SD 4.13Å; T227-M231 VanDerWaalsContact O-CG 3.3Å; T227-M231 WeakPolarHBondContact O-CG 3.34Å; T227-M231 PolarHBondContact O-N 3.12Å
228	S	97.9	Very high	95.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-39	177.7	-69.2	0	0	0	0	112.9	Y224 L225 R232	Y224-S228 VanDerWaalsContact O-CB 3.25Å; Y224-S228 WeakPolarHBondContact O-CB 3.07Å; Y224-S228 PolarHBondContact O-N 3.22Å; Y224-S228 PolarHBondContact O-OG 3.43Å; L225-S228 WeakPolarHBondContact O-CB 3.38Å; L225-S228 PolarHBondContact O-N 3.25Å; L225-S228 VanDerWaalsContact O-N 3.12Å; S228-R232 WeakPolarHBondContact O-CD 3.36Å; S228-R232 VanDerWaalsContact O-CG 3.28Å; S228-R232 WeakPolarHBondContact O-CG 3.04Å; S228-R232 PolarHBondContact O-NH1 3.35Å
229	I	97.1	Very high	95.1	Very high	20 Å²	20	45.8 Å²	45.8	10%	0.103	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-45.9	175.2	-66.7	164.3	0	0	0	110.6	M179 L225 L226 T227 M231 R232 L235 L239	M179-I229 HydrophobicContact SD-CG1 4.41Å; L225-I229 HydrophobicContact CD1-CD1 3.79Å; L225-I229 HydrophobicContact CD1-CG1 4.15Å; L225-I229 HydrophobicContact CG-CD1 3.82Å; L225-I229 WeakPolarHBondContact O-CG1 3.48Å; L225-I229 PolarHBondContact O-N 3.05Å; L226-I229 PolarHBondContact O-N 2.82Å; T227-I229 VanDerWaalsContact C-N 3.33Å; T227-I229 PolarHBondContact O-N 3.37Å; I229-M231 VanDerWaalsContact C-N 3.34Å; I229-M231 PolarHBondContact O-N 2.66Å; I229-R232 PolarHBondContact O-N 2.9Å; I229-R232 VanDerWaalsContact O-N 3.08Å; I229-R232 VanDerWaalsContact O-O 3.14Å; I229-L235 HydrophobicContact CG2-CB 4.35Å; I229-L239 HydrophobicContact CB-CD2 4.34Å; I229-L239 HydrophobicContact CD1-CD2 3.54Å; I229-L239 HydrophobicContact CG1-CD2 3.56Å; I229-L239 HydrophobicContact CG2-CD2 3.83Å
230	E	95.3	Very high	95	Very high	128 Å²	128	45.8 Å²	45.8	60%	0.598	24%	0.244	S	C	*	.	H	α-helix	trans	-63	-38.2	-177.2	-172.6	169.8	176.4	0	0	112.4	K58 L226 T227 R232	K58-E230 IonicContact NZ-OE2 3.07Å; L226-E230 WeakPolarHBondContact O-CB 3.47Å; L226-E230 PolarHBondContact O-N 3.48Å; T227-E230 PolarHBondContact O-N 3.18Å; E230-R232 PolarHBondContact O-N 3.03Å
231	M	94.9	Very high	95	Very high	124 Å²	124	41.5 Å²	41.5	61%	0.611	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.4	176.1	-68.3	-174.6	-55.7	0	0	114	T227 I229 P233	T227-M231 HydrophobicContact CG2-CE 4Å; T227-M231 HydrophobicContact CG2-CG 4.4Å; T227-M231 HydrophobicContact CG2-SD 4.13Å; T227-M231 VanDerWaalsContact O-CG 3.3Å; T227-M231 WeakPolarHBondContact O-CG 3.34Å; T227-M231 PolarHBondContact O-N 3.12Å; I229-M231 VanDerWaalsContact C-N 3.34Å; I229-M231 PolarHBondContact O-N 2.66Å; M231-P233 WeakPolarHBondContact O-CD 3.4Å
232	R	93.9	Very high	95	Very high	43 Å²	43	41.3 Å²	41.3	16%	0.162	22%	0.223	C	C	.	.			trans	-115.8	95.9	-176.5	-66.2	176.7	171.5	84.7	-5.2	109.8	E183 S228 I229 E230 S234 L235 S236	E183-R232 VanDerWaalsContact CD-CD 3.4Å; E183-R232 WeakPolarHBondContact OE1-CD 3.39Å; E183-R232 WeakPolarHBondContact OE1-CG 3.3Å; E183-R232 IonicContact OE1-NE 3.09Å; E183-R232 PolarHBondContact OE1-NE 3.42Å; E183-R232 IonicContact OE2-CZ 3.3Å; E183-R232 IonicContact OE2-NE 2.69Å; E183-R232 PolarHBondContact OE2-NE 3.12Å; E183-R232 IonicContact OE2-NH2 3.55Å; E183-R232 PolarHBondContact OE2-NH2 2.88Å; S228-R232 WeakPolarHBondContact O-CD 3.36Å; S228-R232 VanDerWaalsContact O-CG 3.28Å; S228-R232 WeakPolarHBondContact O-CG 3.04Å; S228-R232 PolarHBondContact O-NH1 3.35Å; I229-R232 PolarHBondContact O-N 2.9Å; I229-R232 VanDerWaalsContact O-N 3.08Å; I229-R232 VanDerWaalsContact O-O 3.14Å; E230-R232 PolarHBondContact O-N 3.03Å; R232-S234 PolarHBondContact O-N 3.37Å; R232-S234 VanDerWaalsContact O-N 3.11Å; R232-L235 HydrophobicContact CB-CB 4.09Å; R232-L235 HydrophobicContact CB-CD1 4.12Å; R232-L235 HydrophobicContact CB-CG 4.12Å; R232-L235 PolarHBondContact O-N 3.37Å; R232-S236 PolarHBondContact O-N 3.48Å; R232-S236 PolarHBondContact O-OG 3.5Å; R232-S236 VanDerWaalsContact O-OG 3.12Å
233	P	87.6	Confident	95	Very high	101 Å²	101	41.3 Å²	41.3	66%	0.656	22%	0.223	S	C	*	.	H	α-helix	trans	-56.6	-28.1	-179.9	-29.1	36.4	0	0	0	114.4	M231 L235 S236 C237	M231-P233 WeakPolarHBondContact O-CD 3.4Å; P233-L235 PolarHBondContact O-N 3.3Å; P233-S236 WeakPolarHBondContact CA-OG 3.49Å; P233-C237 PolarHBondContact O-SG 3.1Å
234	S	86.6	Confident	95	Very high	64 Å²	64	36.7 Å²	36.7	45%	0.448	20%	0.201	S	C	.	.	H	α-helix	trans	-71.1	-16.5	175.5	54.1	0	0	0	0	114	R232 C238	R232-S234 PolarHBondContact O-N 3.37Å; R232-S234 VanDerWaalsContact O-N 3.11Å; S234-C238 PolarHBondContact O-SG 3.14Å
235	L	91.5	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-106.7	-52	178.3	-65.8	-174.8	0	0	0	111.6	K29 M179 F182 I229 R232 P233 C237 C238 L239	K29-L235 HydrophobicContact CD-CD2 3.47Å; K29-L235 VanDerWaalsContact CD-CD2 3.47Å; M179-L235 HydrophobicContact CE-CD1 4.36Å; M179-L235 HydrophobicContact SD-CD1 3.77Å; F182-L235 HydrophobicContact CB-CD1 4.06Å; F182-L235 HydrophobicContact CB-CD2 3.94Å; F182-L235 HydrophobicContact CD1-CD2 3.78Å; F182-L235 HydrophobicContact CG-CD1 4.4Å; F182-L235 HydrophobicContact CG-CD2 3.94Å; I229-L235 HydrophobicContact CG2-CB 4.35Å; R232-L235 HydrophobicContact CB-CB 4.09Å; R232-L235 HydrophobicContact CB-CD1 4.12Å; R232-L235 HydrophobicContact CB-CG 4.12Å; R232-L235 PolarHBondContact O-N 3.37Å; P233-L235 PolarHBondContact O-N 3.3Å; L235-C237 PolarHBondContact O-N 2.6Å; L235-C238 PolarHBondContact O-N 3.37Å; L235-L239 HydrophobicContact CB-CB 4.37Å; L235-L239 HydrophobicContact CB-CD2 4.33Å; L235-L239 WeakPolarHBondContact O-CB 3.34Å; L235-L239 PolarHBondContact O-N 2.66Å
236	S	88.2	Confident	95	Very high	60 Å²	60	32.5 Å²	32.5	42%	0.42	19%	0.185	S	C	.	.	H	α-helix	trans	-53.3	-27.4	-176.4	52.7	0	0	0	0	114.5	R232 P233	R232-S236 PolarHBondContact O-N 3.48Å; R232-S236 PolarHBondContact O-OG 3.5Å; R232-S236 VanDerWaalsContact O-OG 3.12Å; P233-S236 WeakPolarHBondContact CA-OG 3.49Å
237	C	87.9	Confident	95	Very high	48 Å²	48	32 Å²	32	32%	0.324	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-29.3	177.6	55.9	0	0	0	0	115.4	Q26 P233 L235	Q26-C237 PolarHBondContact NE2-SG 2.77Å; P233-C237 PolarHBondContact O-SG 3.1Å; L235-C237 PolarHBondContact O-N 2.6Å
238	C	91.7	Very high	95	Very high	10 Å²	10	29.1 Å²	29.1	7%	0.068	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	-1	-163.9	68.6	0	0	0	0	115.1	Q26 F27 K29 S234 L235	Q26-C238 HydrophobicContact CG-CB 3.65Å; F27-C238 PolarHBondContact O-SG 3.17Å; F27-C238 VanDerWaalsContact O-SG 3.41Å; K29-C238 PolarHBondContact N-O 2.98Å; S234-C238 PolarHBondContact O-SG 3.14Å; L235-C238 PolarHBondContact O-N 3.37Å
239	L	96.7	Very high	95	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.052	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.9	179.3	-176.8	71.7	0	0	0	111.4	K29 I31 F182 I229 L235 P371	K29-L239 HydrophobicContact CB-CB 4.32Å; K29-L239 HydrophobicContact CB-CD1 3.55Å; K29-L239 CarbonylContact O-C 3.57Å; K29-L239 WeakPolarHBondContact O-CA 3.37Å; I31-L239 HydrophobicContact CB-CD1 4.47Å; I31-L239 HydrophobicContact CD1-CD1 4.18Å; I31-L239 HydrophobicContact CD1-CD2 3.85Å; I31-L239 HydrophobicContact CG1-CD1 3.95Å; I31-L239 HydrophobicContact CG1-CD2 4.47Å; F182-L239 HydrophobicContact CE1-CD1 4.3Å; F182-L239 HydrophobicContact CZ-CD1 4.16Å; I229-L239 HydrophobicContact CB-CD2 4.34Å; I229-L239 HydrophobicContact CD1-CD2 3.54Å; I229-L239 HydrophobicContact CG1-CD2 3.56Å; I229-L239 HydrophobicContact CG2-CD2 3.83Å; L235-L239 HydrophobicContact CB-CB 4.37Å; L235-L239 HydrophobicContact CB-CD2 4.33Å; L235-L239 WeakPolarHBondContact O-CB 3.34Å; L235-L239 PolarHBondContact O-N 2.66Å; L239-P371 WeakPolarHBondContact O-CD 3.16Å
240	N	97.6	Very high	95.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.7	165.9	-54.5	-83.1	0	0	0	109.1	S28 K29 V30 I31 M369 P371 Q372 M397	S28-N240 PolarHBondContact OG-ND2 3.39Å; K29-N240 PolarHBondContact O-N 2.77Å; K29-N240 PolarHBondContact O-ND2 3.37Å; V30-N240 CarbonylContact C-O 3.58Å; V30-N240 VanDerWaalsContact CA-O 3.3Å; V30-N240 WeakPolarHBondContact CA-O 3.32Å; V30-N240 HydrophobicContact CG2-CB 4.42Å; I31-N240 PolarHBondContact N-O 2.86Å; N240-M369 WeakPolarHBondContact CA-O 3.39Å; N240-P371 WeakPolarHBondContact OD1-CD 3.27Å; N240-Q372 PolarHBondContact ND2-OE1 2.7Å; N240-Q372 WeakPolarHBondContact OD1-CB 3.26Å; N240-Q372 PolarHBondContact OD1-N 3.01Å; N240-M397 HydrophobicContact CB-CE 4.4Å; N240-M397 HydrophobicContact CB-SD 3.77Å
241	L	98.4	Very high	95.2	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126	177.9	174.6	60.1	0	0	0	108.5	I31 I33 I59 L225 L226 I243 A368 M369	I31-L241 HydrophobicContact CB-CD1 3.99Å; I31-L241 HydrophobicContact CG2-CD1 3.64Å; I33-L241 HydrophobicContact CD1-CD1 3.95Å; I33-L241 HydrophobicContact CG1-CD1 4.3Å; I59-L241 HydrophobicContact CD1-CD2 4.43Å; L225-L241 HydrophobicContact CD2-CD1 3.95Å; L225-L241 HydrophobicContact CD2-CD2 3.93Å; L226-L241 HydrophobicContact CD2-CD2 4.03Å; L241-I243 HydrophobicContact CD1-CD1 4.5Å; L241-I243 HydrophobicContact CD1-CG1 4.07Å; L241-I243 HydrophobicContact CD2-CD1 4.05Å; L241-I243 HydrophobicContact CD2-CG1 4.46Å; L241-I243 HydrophobicContact CG-CD1 4.2Å; L241-I243 HydrophobicContact CG-CG1 4.09Å; L241-A368 CarbonylContact O-C 3.4Å; L241-A368 WeakPolarHBondContact O-CA 3.48Å; L241-A368 WeakPolarHBondContact O-CB 3.39Å; L241-M369 HydrophobicContact CB-CG 4.08Å; L241-M369 HydrophobicContact CD2-CG 4.39Å; L241-M369 PolarHBondContact N-O 2.93Å; L241-M369 PolarHBondContact O-N 3.5Å
242	I	98.7	Very high	95.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.2	172.2	-55.5	170.9	0	0	0	107.5	V30 I31 L32 I33 L366 A368 L393 I394 M397	V30-I242 HydrophobicContact CG1-CD1 4.12Å; I31-I242 PolarHBondContact O-N 3.09Å; L32-I242 CarbonylContact C-O 3.49Å; L32-I242 WeakPolarHBondContact CA-O 3.44Å; L32-I242 HydrophobicContact CD1-CB 3.81Å; L32-I242 HydrophobicContact CD1-CG2 3.56Å; I33-I242 PolarHBondContact N-O 2.86Å; I242-L366 HydrophobicContact CG2-CD1 3.57Å; I242-A368 HydrophobicContact CG1-CB 4.12Å; I242-L393 HydrophobicContact CD1-CD2 3.98Å; I242-L393 HydrophobicContact CD1-CG 4.23Å; I242-I394 HydrophobicContact CD1-CD1 4.45Å; I242-I394 HydrophobicContact CD1-CG1 3.76Å; I242-M397 HydrophobicContact CD1-CE 4.07Å; I242-M397 HydrophobicContact CD1-SD 4.01Å; I242-M397 HydrophobicContact CG1-CE 4.35Å
243	I	98.7	Very high	95.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.1	174.1	-56.3	164	0	0	0	107.9	I33 L35 I59 L222 L241 F365 M367	I33-I243 HydrophobicContact CB-CG1 4.2Å; I33-I243 HydrophobicContact CD1-CG1 4.44Å; I33-I243 WeakPolarHBondContact O-CA 3.36Å; L35-I243 HydrophobicContact CD1-CG2 3.87Å; L35-I243 HydrophobicContact CG-CG2 4.15Å; I59-I243 HydrophobicContact CD1-CD1 3.38Å; L222-I243 HydrophobicContact CD1-CD1 4.11Å; L222-I243 HydrophobicContact CD2-CD1 3.67Å; L241-I243 HydrophobicContact CD1-CD1 4.5Å; L241-I243 HydrophobicContact CD1-CG1 4.07Å; L241-I243 HydrophobicContact CD2-CD1 4.05Å; L241-I243 HydrophobicContact CD2-CG1 4.46Å; L241-I243 HydrophobicContact CG-CD1 4.2Å; L241-I243 HydrophobicContact CG-CG1 4.09Å; I243-F365 HydrophobicContact CG2-CE2 4.11Å; I243-F365 HydrophobicContact CG2-CZ 3.91Å; I243-F365 WeakPolarHBondContact O-CE2 3.44Å; I243-M367 HydrophobicContact CB-CG 3.75Å; I243-M367 HydrophobicContact CB-SD 4.37Å; I243-M367 HydrophobicContact CD1-CG 4.41Å; I243-M367 HydrophobicContact CD1-SD 4.25Å; I243-M367 PolarHBondContact N-O 3.28Å; I243-M367 PolarHBondContact O-N 2.89Å; I243-M367 VanDerWaalsContact O-O 3.13Å
244	T	98.6	Very high	95.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	177.3	179.5	-169.4	0	0	0	0	109.6	L32 I33 S34 L35 I84 F365 I390	L32-T244 HydrophobicContact CD1-CG2 4.1Å; I33-T244 PolarHBondContact O-N 2.94Å; S34-T244 WeakPolarHBondContact CA-O 3.48Å; L35-T244 PolarHBondContact N-O 3.27Å; I84-T244 HydrophobicContact CD1-CG2 4.16Å; T244-F365 WeakPolarHBondContact CA-O 3.22Å; T244-F365 PolarHBondContact OG1-O 2.94Å; T244-I390 HydrophobicContact CG2-CD1 3.89Å
245	S	98.5	Very high	95.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.			trans	-118	170.6	156.9	48.9	0	0	0	0	110.5	L35 F38 P364	L35-S245 WeakPolarHBondContact O-CA 3.13Å; L35-S245 WeakPolarHBondContact O-CB 3.39Å; F38-S245 VanDerWaalsContact O-CB 3.3Å; F38-S245 WeakPolarHBondContact O-CB 3.49Å; F38-S245 PolarHBondContact O-OG 3.05Å; S245-P364 VanDerWaalsContact O-CB 3.27Å; S245-P364 WeakPolarHBondContact O-CB 3.41Å; S245-P364 VanDerWaalsContact OG-CA 3.23Å; S245-P364 WeakPolarHBondContact OG-CA 3.38Å; S245-P364 WeakPolarHBondContact OG-CB 3.49Å
246	D	98.4	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-87.5	-41.3	172.2	50.4	-11.4	0	0	0	112.3	D36 G37 N71 T77 H81	D36-D246 WeakPolarHBondContact CA-OD1 3.42Å; D36-D246 VanDerWaalsContact OD1-OD2 3.13Å; G37-D246 PolarHBondContact N-OD1 3.47Å; N71-D246 PolarHBondContact ND2-O 3.14Å; N71-D246 PolarHBondContact OD1-O 2.9Å; T77-D246 VanDerWaalsContact CA-OD2 3.31Å; T77-D246 WeakPolarHBondContact CA-OD2 3.32Å; T77-D246 WeakPolarHBondContact CG2-OD2 3.43Å; H81-D246 IonicContact CE1-OD2 3.47Å; H81-D246 PolarHBondContact CE1-OD2 3.08Å; H81-D246 IonicContact ND1-OD2 3.4Å; H81-D246 IonicContact NE2-OD2 3.22Å; H81-D246 PolarHBondContact NE2-OD2 2.87Å
247	H	98.5	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.			trans	-154.8	-179.8	178	53.9	71.4	0	0	0	112.5	D36 G37 N71 T75 T77 D198 H353	D36-H247 IonicContact OD1-CE1 3.01Å; D36-H247 PolarHBondContact OD1-CE1 3.11Å; D36-H247 IonicContact OD1-NE2 3.79Å; D36-H247 PolarHBondContact OD1-NE2 2.7Å; G37-H247 CarbonylContact C-O 3.56Å; G37-H247 WeakPolarHBondContact CA-O 3.49Å; N71-H247 WeakPolarHBondContact ND2-CA 3.49Å; T75-H247 PolarHBondContact O-CD2 3.17Å; T77-H247 PolarHBondContact N-CD2 3.3Å; T77-H247 PolarHBondContact N-NE2 3.18Å; T77-H247 PolarHBondContact OG1-NE2 3.37Å; T77-H247 VanDerWaalsContact OG1-NE2 3.14Å; D198-H247 IonicContact OD1-CE1 2.93Å; D198-H247 PolarHBondContact OD1-CE1 3.28Å; H247-H353 AromaticContact CD2-CE1 4Å; H247-H353 AromaticContact CD2-ND1 3.58Å; H247-H353 AromaticContact CE1-CD2 3.55Å; H247-H353 AromaticContact CE1-CE1 3.32Å; H247-H353 PolarHBondContact CE1-CE1 3.4Å; H247-H353 AromaticContact CE1-CG 3.32Å; H247-H353 AromaticContact CE1-ND1 3.18Å; H247-H353 PolarHBondContact CE1-ND1 3Å; H247-H353 AromaticContact CE1-NE2 3.61Å; H247-H353 AromaticContact CG-ND1 3.83Å; H247-H353 AromaticContact ND1-CG 3.51Å; H247-H353 AromaticContact ND1-ND1 3.58Å; H247-H353 AromaticContact NE2-CE1 3.11Å; H247-H353 PolarHBondContact NE2-CE1 3.05Å; H247-H353 AromaticContact NE2-CG 3.76Å; H247-H353 AromaticContact NE2-ND1 3.09Å; H247-H353 PolarHBondContact NE2-ND1 3.46Å; H247-H353 AromaticContact NE2-NE2 3.82Å
248	G	98.1	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.			trans	-100.1	-155.7	167.5	0	0	0	0	0	112.8	H353 E361 M362	G248-H353 WeakPolarHBondContact O-CB 3.49Å; G248-E361 CarbonylContact C-O 3.59Å; G248-E361 WeakPolarHBondContact CA-O 2.8Å; G248-M362 PolarHBondContact N-O 3.21Å; G248-M362 VanDerWaalsContact N-O 3.12Å
249	M	98.5	Very high	96.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.131	C	C	.	.			trans	-156.8	144.3	-173.1	-175.5	65	65.5	0	0	110.7	R39 D198 A206 A352 E361	R39-M249 WeakPolarHBondContact CD-O 3.23Å; R39-M249 PolarHBondContact NH1-O 3.48Å; D198-M249 WeakPolarHBondContact OD1-CE 3.25Å; A206-M249 HydrophobicContact CB-CB 4.08Å; A206-M249 HydrophobicContact CB-CG 3.66Å; M249-A352 VanDerWaalsContact SD-CA 3.5Å; M249-A352 PolarHBondContact SD-N 2.83Å; M249-E361 PolarHBondContact N-O 2.78Å
250	T	98.3	Very high	96.4	Very high	22 Å²	22	24 Å²	24	14%	0.135	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.3	173.4	-167.5	0	0	0	0	111.8	I333 G351 A352 Y355 M362	T250-I333 HydrophobicContact CG2-CD1 4.22Å; T250-I333 HydrophobicContact CG2-CG1 3.68Å; T250-G351 CarbonylContact O-C 3.59Å; T250-G351 WeakPolarHBondContact O-CA 3.24Å; T250-A352 PolarHBondContact N-O 2.98Å; T250-A352 PolarHBondContact O-N 3.41Å; T250-Y355 HydrophobicContact CG2-CD2 3.9Å; T250-Y355 HydrophobicContact CG2-CE2 3.36Å; T250-M362 HydrophobicContact CG2-CE 4.12Å
251	N	97.7	Very high	96.3	Very high	74 Å²	74	26.3 Å²	26.3	40%	0.396	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.3	178.3	-72.2	-19.2	0	0	0	112	G205 A206 R256 K350	G205-N251 WeakPolarHBondContact CA-OD1 3.2Å; A206-N251 PolarHBondContact N-OD1 2.94Å; N251-R256 PolarHBondContact O-NH2 3.45Å; N251-K350 CarbonylContact C-O 3.52Å; N251-K350 VanDerWaalsContact CA-O 3.31Å; N251-K350 WeakPolarHBondContact CA-O 3.39Å
252	I	95.5	Very high	96.2	Very high	17 Å²	17	29.7 Å²	29.7	9%	0.087	16%	0.158	C	C	.	.			trans	-107.2	162.3	171.5	57	165.1	0	0	0	110.9	L347 N349 K350 A352 Y355	I252-L347 HydrophobicContact CD1-CD2 4.39Å; I252-N349 HydrophobicContact CD1-CB 4.22Å; I252-N349 WeakPolarHBondContact CD1-O 3.47Å; I252-K350 PolarHBondContact N-O 3.38Å; I252-A352 HydrophobicContact CD1-CB 4.07Å; I252-A352 HydrophobicContact CG1-CB 4.37Å; I252-A352 HydrophobicContact CG2-CB 3.62Å; I252-Y355 VanDerWaalsContact CG2-OH 3.23Å; I252-Y355 WeakPolarHBondContact CG2-OH 3.18Å
253	S	92.5	Very high	96.2	Very high	26 Å²	26	32.7 Å²	32.7	18%	0.182	17%	0.17	C	C	.	.			trans	-143.9	150.4	178.9	178.1	0	0	0	0	110.5	D255 R256	S253-D255 PolarHBondContact O-N 2.85Å; S253-D255 PolarHBondContact OG-N 2.82Å; S253-D255 VanDerWaalsContact OG-N 3.13Å; S253-D255 PolarHBondContact OG-OD2 3.35Å; S253-R256 PolarHBondContact O-N 3.11Å
254	S	90.1	Very high	96.1	Very high	81 Å²	81	32.8 Å²	32.8	57%	0.566	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.3	167.9	50.5	0	0	0	0	113.6	R256 V257	S254-R256 VanDerWaalsContact C-N 3.32Å; S254-V257 WeakPolarHBondContact O-CG2 3.19Å
255	D	92	Very high	96	Very high	132 Å²	132	38.8 Å²	38.8	71%	0.706	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.7	177.1	-50.9	-41.5	0	0	0	113	S253	S253-D255 PolarHBondContact O-N 2.85Å; S253-D255 PolarHBondContact OG-N 2.82Å; S253-D255 VanDerWaalsContact OG-N 3.13Å; S253-D255 PolarHBondContact OG-OD2 3.35Å
256	R	94.4	Very high	95.8	Very high	83 Å²	83	41.7 Å²	41.7	31%	0.313	22%	0.217	S	C	.	.	S	Bend	trans	-118.4	61.1	-177.8	-66.9	-170.5	-58.7	-82.6	3.3	110.3	N251 S253 S254 G334 W335 T336	N251-R256 PolarHBondContact O-NH2 3.45Å; S253-R256 PolarHBondContact O-N 3.11Å; S254-R256 VanDerWaalsContact C-N 3.32Å; R256-G334 PolarHBondContact NE-O 3.39Å; R256-W335 HydrophobicContact CB-CD2 3.7Å; R256-W335 HydrophobicContact CB-CE3 3.97Å; R256-W335 HydrophobicContact CB-CG 4.02Å; R256-W335 HydrophobicContact CB-CZ2 4.29Å; R256-W335 HydrophobicContact CB-CZ3 4.39Å; R256-W335 HydrophobicContact CG-CD2 4.29Å; R256-W335 HydrophobicContact CG-CZ2 4.07Å; R256-W335 VanDerWaalsContact O-CA 3.27Å; R256-W335 WeakPolarHBondContact O-CA 3.35Å; R256-T336 PolarHBondContact O-N 3.25Å; R256-T336 VanDerWaalsContact O-N 3.08Å
257	V	94.7	Very high	95.7	Very high	21 Å²	21	47.1 Å²	47.1	13%	0.127	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.7	-178.6	-60.6	0	0	0	0	111.5	S254 Y259 T336 I338 L347	S254-V257 WeakPolarHBondContact O-CG2 3.19Å; V257-Y259 HydrophobicContact CG2-CD2 4.49Å; V257-Y259 HydrophobicContact CG2-CE1 4.45Å; V257-Y259 HydrophobicContact CG2-CE2 3.73Å; V257-T336 WeakPolarHBondContact CA-O 3.5Å; V257-I338 HydrophobicContact CB-CD1 4.02Å; V257-I338 HydrophobicContact CG1-CD1 3.72Å; V257-L347 HydrophobicContact CG1-CD1 3.65Å
258	I	95.4	Very high	95.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.7	175	-53.8	170.8	0	0	0	107	Y263 H301 R303 L304 W335 T336 I337 I338	I258-Y263 HydrophobicContact CG2-CE2 4.03Å; I258-H301 HydrophobicContact CG2-CB 4.37Å; I258-R303 HydrophobicContact CD1-CB 4.1Å; I258-R303 WeakPolarHBondContact CD1-O 3.45Å; I258-L304 HydrophobicContact CD1-CB 3.99Å; I258-L304 HydrophobicContact CD1-CD1 4.18Å; I258-L304 HydrophobicContact CG2-CD1 4.41Å; I258-L304 HydrophobicContact CG2-CD2 4.4Å; I258-W335 HydrophobicContact CD1-CE3 4.21Å; I258-W335 HydrophobicContact CG1-CE3 3.76Å; I258-W335 HydrophobicContact CG1-CZ3 4.25Å; I258-T336 PolarHBondContact N-O 3.2Å; I258-I337 WeakPolarHBondContact O-CA 3.36Å; I258-I338 PolarHBondContact O-N 2.94Å
259	Y	95.1	Very high	95.6	Very high	40 Å²	40	48 Å²	48	16%	0.157	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	112.8	177.7	-63.5	-70.3	0	0	0	110.1	V257 H261 D262 Y263 I338 D340 R341	V257-Y259 HydrophobicContact CG2-CD2 4.49Å; V257-Y259 HydrophobicContact CG2-CE1 4.45Å; V257-Y259 HydrophobicContact CG2-CE2 3.73Å; Y259-H261 VanDerWaalsContact C-N 3.29Å; Y259-H261 PolarHBondContact O-N 3.23Å; Y259-D262 WeakPolarHBondContact O-CB 3.41Å; Y259-D262 PolarHBondContact O-N 3.13Å; Y259-Y263 WeakPolarHBondContact O-CD2 3.26Å; Y259-Y263 WeakPolarHBondContact O-CE2 3.4Å; Y259-I338 CarbonylContact C-O 3.53Å; Y259-I338 WeakPolarHBondContact CA-O 3.31Å; Y259-I338 HydrophobicContact CD1-CB 4.07Å; Y259-I338 HydrophobicContact CD1-CG2 4.21Å; Y259-I338 HydrophobicContact CE1-CB 4.2Å; Y259-I338 HydrophobicContact CE1-CD1 4.38Å; Y259-I338 HydrophobicContact CE1-CG2 4.19Å; Y259-D340 VanDerWaalsContact CD1-C 3.48Å; Y259-R341 HydrophobicContact CD1-CG 3.9Å; Y259-R341 HydrophobicContact CD2-CG 3.87Å; Y259-R341 HydrophobicContact CE1-CB 4.38Å; Y259-R341 HydrophobicContact CE1-CG 3.96Å; Y259-R341 HydrophobicContact CE2-CG 3.93Å; Y259-R341 HydrophobicContact CG-CG 3.84Å
260	L	95.7	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-63.7	-36.8	-177	-171.8	60.2	0	0	0	111.6	D262 Y263 I264 Y269 W280 L282 L297 I337 I338 A339	L260-D262 PolarHBondContact O-N 3.33Å; L260-Y263 PolarHBondContact O-N 3.39Å; L260-Y263 VanDerWaalsContact O-N 3.11Å; L260-I264 HydrophobicContact CD1-CD1 3.83Å; L260-I264 HydrophobicContact CD1-CG1 4.09Å; L260-I264 HydrophobicContact CD2-CD1 4.12Å; L260-I264 HydrophobicContact CG-CD1 3.77Å; L260-I264 HydrophobicContact CG-CG1 3.89Å; L260-I264 WeakPolarHBondContact O-CG1 3.33Å; L260-I264 PolarHBondContact O-N 2.85Å; L260-I264 VanDerWaalsContact O-N 3.15Å; L260-Y269 HydrophobicContact CD2-CE2 4.23Å; L260-Y269 WeakPolarHBondContact CD2-OH 3.48Å; L260-W280 HydrophobicContact CD2-CD2 4.04Å; L260-W280 HydrophobicContact CD2-CE3 3.66Å; L260-W280 HydrophobicContact CD2-CZ3 3.95Å; L260-L282 HydrophobicContact CD2-CD2 4.27Å; L260-L297 HydrophobicContact CD1-CD2 3.62Å; L260-I337 HydrophobicContact CB-CG2 4.11Å; L260-I338 PolarHBondContact N-O 3.12Å; L260-A339 PolarHBondContact N-O 2.96Å
261	H	95.5	Very high	95.3	Very high	49 Å²	49	50 Å²	50	23%	0.227	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-77	-5.5	-178.8	-63.1	178.1	0	0	0	114.5	Y259 Y263 I264 Y269 A339 D340	Y259-H261 VanDerWaalsContact C-N 3.29Å; Y259-H261 PolarHBondContact O-N 3.23Å; H261-Y263 PolarHBondContact O-N 3.21Å; H261-I264 VanDerWaalsContact CA-O 3.29Å; H261-I264 WeakPolarHBondContact CA-O 3.44Å; H261-Y269 AromaticContact NE2-CZ 3.94Å; H261-Y269 PolarHBondContact NE2-OH 3.27Å; H261-A339 WeakPolarHBondContact CB-O 3.39Å; H261-A339 PolarHBondContact CD2-O 3.21Å; H261-A339 PolarHBondContact N-O 3.46Å; H261-D340 HydrophobicContact CB-CB 4.17Å
262	D	95.8	Very high	95.1	Very high	76 Å²	76	46.8 Å²	46.8	41%	0.406	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-70.8	-15.5	166.3	-71.1	0.1	0	0	0	111.1	Y259 L260 R341	Y259-D262 WeakPolarHBondContact O-CB 3.41Å; Y259-D262 PolarHBondContact O-N 3.13Å; L260-D262 PolarHBondContact O-N 3.33Å; D262-R341 IonicContact OD1-NE 3.33Å; D262-R341 PolarHBondContact OD1-NE 3.29Å; D262-R341 IonicContact OD2-CZ 3.34Å; D262-R341 IonicContact OD2-NE 3.26Å; D262-R341 PolarHBondContact OD2-NE 3.06Å; D262-R341 IonicContact OD2-NH2 3.11Å; D262-R341 PolarHBondContact OD2-NH2 2.93Å
263	Y	97.3	Very high	94.6	Very high	63 Å²	63	46.6 Å²	46.6	25%	0.247	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-33.2	-175.2	-50.6	-64.9	0	0	0	114.7	I258 Y259 L260 H261 L297 R300	I258-Y263 HydrophobicContact CG2-CE2 4.03Å; Y259-Y263 WeakPolarHBondContact O-CD2 3.26Å; Y259-Y263 WeakPolarHBondContact O-CE2 3.4Å; L260-Y263 PolarHBondContact O-N 3.39Å; L260-Y263 VanDerWaalsContact O-N 3.11Å; H261-Y263 PolarHBondContact O-N 3.21Å; Y263-L297 HydrophobicContact CD2-CD2 4.45Å; Y263-L297 HydrophobicContact CG-CD2 4.5Å; Y263-R300 HydrophobicContact CD1-CB 3.66Å; Y263-R300 HydrophobicContact CD1-CG 3.87Å; Y263-R300 HydrophobicContact CE1-CB 3.58Å; Y263-R300 HydrophobicContact CE1-CG 4.24Å; Y263-R300 HydrophobicContact CG-CB 4.25Å; Y263-R300 HydrophobicContact CG-CG 4.46Å
264	I	97.3	Very high	94.4	Very high	2 Å²	2	52 Å²	52	1%	0.01	26%	0.263	C	S	.	.	S	Bend	trans	-133.7	145.5	-179.2	60.4	171.7	0	0	0	111.6	L260 H261 Y269 L282 L293 K296 L297	L260-I264 HydrophobicContact CD1-CD1 3.83Å; L260-I264 HydrophobicContact CD1-CG1 4.09Å; L260-I264 HydrophobicContact CD2-CD1 4.12Å; L260-I264 HydrophobicContact CG-CD1 3.77Å; L260-I264 HydrophobicContact CG-CG1 3.89Å; L260-I264 WeakPolarHBondContact O-CG1 3.33Å; L260-I264 PolarHBondContact O-N 2.85Å; L260-I264 VanDerWaalsContact O-N 3.15Å; H261-I264 VanDerWaalsContact CA-O 3.29Å; H261-I264 WeakPolarHBondContact CA-O 3.44Å; I264-Y269 HydrophobicContact CD1-CD1 3.49Å; I264-Y269 VanDerWaalsContact CD1-CD1 3.49Å; I264-Y269 HydrophobicContact CD1-CE1 3.52Å; I264-Y269 HydrophobicContact CD1-CG 4.12Å; I264-Y269 HydrophobicContact CG1-CD1 4.18Å; I264-Y269 HydrophobicContact CG1-CE1 3.97Å; I264-L282 HydrophobicContact CD1-CD1 3.96Å; I264-L293 HydrophobicContact CG2-CD2 4.27Å; I264-K296 HydrophobicContact CG2-CB 3.71Å; I264-K296 HydrophobicContact CG2-CD 4.05Å; I264-L297 HydrophobicContact CD1-CD1 4.29Å; I264-L297 HydrophobicContact CD1-CD2 4.39Å; I264-L297 HydrophobicContact CG1-CD2 4.37Å; I264-L297 HydrophobicContact CG2-CD1 4.32Å; I264-L297 HydrophobicContact CG2-CD2 3.89Å; I264-L297 HydrophobicContact CG2-CG 3.88Å
265	H	96	Very high	94.4	Very high	125 Å²	125	55.4 Å²	55.4	58%	0.579	27%	0.267	S	S	*	.			trans	-81.5	147.4	176.1	-62.7	-69.7	0	0	0	112.5	N267 E268 Y269	H265-N267 PolarHBondContact O-N 3.21Å; H265-E268 HydrophobicContact CB-CG 3.88Å; H265-E268 WeakPolarHBondContact CB-OE1 3.45Å; H265-E268 IonicContact CD2-OE1 3.21Å; H265-E268 PolarHBondContact CD2-OE1 3.05Å; H265-E268 IonicContact CG-OE1 3.67Å; H265-E268 PolarHBondContact N-OE1 2.99Å; H265-E268 VanDerWaalsContact N-OE1 3.09Å; H265-E268 WeakPolarHBondContact O-CB 3.44Å; H265-E268 WeakPolarHBondContact O-CG 3.34Å; H265-E268 PolarHBondContact O-N 2.88Å; H265-Y269 WeakPolarHBondContact O-CD1 3.49Å
266	P	94.6	Very high	94.3	Very high	62 Å²	62	52.3 Å²	52.3	40%	0.403	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.4	178	22.7	-33.6	0	0	0	114.3	E268 K285	P266-E268 VanDerWaalsContact C-N 3.32Å; P266-K285 PolarHBondContact O-NZ 3.4Å
267	N	96.1	Very high	94.3	Very high	114 Å²	114	49 Å²	49	61%	0.61	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.5	175.8	-70.7	-18.7	0	0	0	113.8	H265 K285 Y288	H265-N267 PolarHBondContact O-N 3.21Å; N267-K285 WeakPolarHBondContact O-CD 3.44Å; N267-Y288 VanDerWaalsContact O-CE2 3.27Å; N267-Y288 WeakPolarHBondContact O-CE2 3.15Å
268	E	97.4	Very high	94.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.246	C	C	.	.	S	Bend	trans	-92.4	-20.7	-178.8	-50.3	-170.8	-154.6	0	0	113.3	H265 P266 K285 Y288 L293 K296	H265-E268 HydrophobicContact CB-CG 3.88Å; H265-E268 WeakPolarHBondContact CB-OE1 3.45Å; H265-E268 IonicContact CD2-OE1 3.21Å; H265-E268 PolarHBondContact CD2-OE1 3.05Å; H265-E268 IonicContact CG-OE1 3.67Å; H265-E268 PolarHBondContact N-OE1 2.99Å; H265-E268 VanDerWaalsContact N-OE1 3.09Å; H265-E268 WeakPolarHBondContact O-CB 3.44Å; H265-E268 WeakPolarHBondContact O-CG 3.34Å; H265-E268 PolarHBondContact O-N 2.88Å; P266-E268 VanDerWaalsContact C-N 3.32Å; E268-K285 PolarHBondContact O-N 3.32Å; E268-Y288 HydrophobicContact CB-CD1 3.82Å; E268-Y288 HydrophobicContact CB-CD2 4.25Å; E268-Y288 HydrophobicContact CB-CE1 4Å; E268-Y288 HydrophobicContact CB-CE2 4.39Å; E268-Y288 HydrophobicContact CB-CG 3.96Å; E268-Y288 HydrophobicContact CG-CD1 3.77Å; E268-Y288 HydrophobicContact CG-CE1 3.46Å; E268-Y288 VanDerWaalsContact CG-CE1 3.46Å; E268-Y288 HydrophobicContact CG-CE2 4.36Å; E268-Y288 HydrophobicContact CG-CG 4.35Å; E268-L293 HydrophobicContact CB-CD2 3.75Å; E268-K296 IonicContact OE1-NZ 3.65Å; E268-K296 PolarHBondContact OE1-NZ 2.86Å; E268-K296 IonicContact OE2-NZ 3.59Å; E268-K296 PolarHBondContact OE2-NZ 3.07Å
269	Y	97.2	Very high	94.5	Very high	17 Å²	17	49.2 Å²	49.2	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.9	-171	76	-81.5	0	0	0	114	L260 H261 I264 H265 W280 L282 W283 K285	L260-Y269 HydrophobicContact CD2-CE2 4.23Å; L260-Y269 WeakPolarHBondContact CD2-OH 3.48Å; H261-Y269 AromaticContact NE2-CZ 3.94Å; H261-Y269 PolarHBondContact NE2-OH 3.27Å; I264-Y269 HydrophobicContact CD1-CD1 3.49Å; I264-Y269 VanDerWaalsContact CD1-CD1 3.49Å; I264-Y269 HydrophobicContact CD1-CE1 3.52Å; I264-Y269 HydrophobicContact CD1-CG 4.12Å; I264-Y269 HydrophobicContact CG1-CD1 4.18Å; I264-Y269 HydrophobicContact CG1-CE1 3.97Å; H265-Y269 WeakPolarHBondContact O-CD1 3.49Å; Y269-W280 HydrophobicContact CE2-CE3 4.37Å; Y269-W280 HydrophobicContact CE2-CZ3 4.24Å; Y269-L282 HydrophobicContact CD2-CB 4.4Å; Y269-L282 HydrophobicContact CD2-CD2 3.63Å; Y269-L282 HydrophobicContact CE2-CD2 3.76Å; Y269-L282 HydrophobicContact CG-CD2 4.46Å; Y269-W283 CarbonylContact C-O 3.41Å; Y269-W283 WeakPolarHBondContact CA-O 2.87Å; Y269-W283 WeakPolarHBondContact CB-O 3.43Å; Y269-K285 WeakPolarHBondContact O-CD 3.39Å; Y269-K285 WeakPolarHBondContact O-CE 3.49Å; Y269-K285 PolarHBondContact O-NZ 3.18Å
270	I	95.8	Very high	94.6	Very high	61 Å²	61	47.4 Å²	47.4	31%	0.313	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.4	165.8	-62.5	161.6	0	0	0	107.1	W283 K285	I270-W283 HydrophobicContact CB-CB 4.2Å; I270-W283 PolarHBondContact N-O 3.27Å; I270-W283 PolarHBondContact O-N 3.34Å; I270-K285 HydrophobicContact CD1-CG 4.1Å; I270-K285 HydrophobicContact CG1-CD 4.34Å; I270-K285 HydrophobicContact CG1-CG 3.75Å
271	S	95.4	Very high	94.7	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.021	24%	0.24	C	C	.	.			trans	-145.3	153.1	171.1	-179	0	0	0	0	108	P273 K274 T281	S271-P273 WeakPolarHBondContact OG-CD 3.42Å; S271-P273 PolarHBondContact OG-O 3.21Å; S271-K274 VanDerWaalsContact O-CE 3.3Å; S271-K274 WeakPolarHBondContact O-CE 3.36Å; S271-K274 PolarHBondContact O-NZ 2.8Å; S271-T281 PolarHBondContact OG-O 3.2Å
272	A	92.4	Very high	94.8	Very high	6 Å²	6	45.2 Å²	45.2	5%	0.05	23%	0.229	C	C	.	.	S	Bend	trans	-82.4	-47.2	178	0	0	0	0	0	112.1	V99 F100 T108 K274	V99-A272 HydrophobicContact CG1-CB 4.06Å; V99-A272 WeakPolarHBondContact O-CB 3.26Å; F100-A272 VanDerWaalsContact CA-CB 3.41Å; T108-A272 HydrophobicContact CG2-CB 3.99Å; A272-K274 WeakPolarHBondContact O-CG 3.32Å; A272-K274 PolarHBondContact O-N 3Å
273	P	86.9	Confident	94.9	Very high	14 Å²	14	44.1 Å²	44.1	9%	0.091	22%	0.219	C	C	.	.			trans	-51.6	127.2	158.8	-26.6	33.5	0	0	0	110.4	S271 A277 W280	S271-P273 WeakPolarHBondContact OG-CD 3.42Å; S271-P273 PolarHBondContact OG-O 3.21Å; P273-A277 HydrophobicContact CB-CB 3.93Å; P273-A277 HydrophobicContact CG-CB 4.13Å; P273-W280 HydrophobicContact CB-CD2 3.98Å; P273-W280 HydrophobicContact CB-CE3 4.12Å; P273-W280 HydrophobicContact CB-CH2 4.24Å; P273-W280 HydrophobicContact CB-CZ2 4.13Å; P273-W280 HydrophobicContact CB-CZ3 4.24Å; P273-W280 WeakPolarHBondContact O-CH2 3.18Å; P273-W280 WeakPolarHBondContact O-CZ3 3.4Å
274	K	87	Confident	94.9	Very high	140 Å²	140	42.9 Å²	42.9	61%	0.609	22%	0.219	S	C	*	.			trans	-110.5	-24.1	-178.4	-61.3	-54.1	-173.7	-176.8	0	113.9	S271 A272	S271-K274 VanDerWaalsContact O-CE 3.3Å; S271-K274 WeakPolarHBondContact O-CE 3.36Å; S271-K274 PolarHBondContact O-NZ 2.8Å; A272-K274 WeakPolarHBondContact O-CG 3.32Å; A272-K274 PolarHBondContact O-N 3Å
275	K	89.7	Confident	94.9	Very high	151 Å²	151	46 Å²	46	66%	0.657	23%	0.233	S	C	*	.	S	Bend	trans	-122.7	-63	-170.3	-65.5	-171.6	178.7	-174.3	0	112.1	I338 A339	K275-I338 CarbonylContact O-C 3.56Å; K275-I338 WeakPolarHBondContact O-CA 3.33Å; K275-A339 PolarHBondContact O-N 3.23Å
276	S	91.7	Very high	94.9	Very high	67 Å²	67	49.4 Å²	49.4	47%	0.469	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141.3	-178.5	59.2	0	0	0	0	110.4	I337	S276-I337 VanDerWaalsContact CA-O 3.28Å; S276-I337 WeakPolarHBondContact CA-O 3.38Å
277	A	94.2	Very high	95	Very high	14 Å²	14	50.2 Å²	50.2	12%	0.116	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	159.4	170.8	0	0	0	0	0	109.6	P273 I279 W280 I337	P273-A277 HydrophobicContact CB-CB 3.93Å; P273-A277 HydrophobicContact CG-CB 4.13Å; A277-I279 VanDerWaalsContact CB-O 3.27Å; A277-I279 WeakPolarHBondContact CB-O 3.38Å; A277-W280 PolarHBondContact O-NE1 2.63Å; A277-I337 PolarHBondContact N-O 2.88Å; A277-I337 VanDerWaalsContact O-CB 3.31Å; A277-I337 WeakPolarHBondContact O-CB 3.26Å; A277-I337 PolarHBondContact O-N 3.47Å; A277-I337 VanDerWaalsContact O-N 3.12Å; A277-I337 VanDerWaalsContact O-O 3.1Å
278	E	95.8	Very high	95	Very high	26 Å²	26	49.3 Å²	49.3	12%	0.121	26%	0.257	C	S	.	.	S	Bend	trans	-80	-23.4	176.8	-73.6	57.8	-129.9	0	0	111.7	Y330 A331 T336 A352 H353 Y355	E278-Y330 CarbonylContact O-C 3.5Å; E278-Y330 VanDerWaalsContact O-CA 3.24Å; E278-Y330 WeakPolarHBondContact O-CA 3.26Å; E278-A331 PolarHBondContact O-N 3.09Å; E278-T336 WeakPolarHBondContact OE1-CG2 3.49Å; E278-T336 PolarHBondContact OE1-OG1 3.03Å; E278-A352 HydrophobicContact CG-CB 4.24Å; E278-H353 WeakPolarHBondContact CG-O 3.42Å; E278-Y355 HydrophobicContact CB-CD1 4.22Å; E278-Y355 HydrophobicContact CB-CE1 3.91Å; E278-Y355 HydrophobicContact CG-CD1 4.17Å; E278-Y355 HydrophobicContact CG-CE1 3.44Å; E278-Y355 VanDerWaalsContact CG-CE1 3.44Å; E278-Y355 HydrophobicContact CG-CE2 3.94Å; E278-Y355 WeakPolarHBondContact CG-OH 3.38Å
279	I	97.6	Very high	95.1	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.6	174.6	-177.1	169.6	0	0	0	110.2	F73 P74 L76 A277 Y318 V328 V329	F73-I279 HydrophobicContact CE1-CD1 3.62Å; F73-I279 HydrophobicContact CZ-CD1 3.57Å; P74-I279 HydrophobicContact CB-CD1 4.14Å; P74-I279 HydrophobicContact CB-CG2 4.05Å; P74-I279 HydrophobicContact CG-CD1 4.38Å; P74-I279 HydrophobicContact CG-CG2 4.31Å; L76-I279 HydrophobicContact CD1-CG2 4.13Å; A277-I279 VanDerWaalsContact CB-O 3.27Å; A277-I279 WeakPolarHBondContact CB-O 3.38Å; I279-Y318 HydrophobicContact CD1-CE1 4.17Å; I279-V328 HydrophobicContact CD1-CG1 4.1Å; I279-V328 HydrophobicContact CG1-CG1 4.25Å; I279-V329 CarbonylContact C-O 3.53Å; I279-V329 WeakPolarHBondContact CA-O 3.48Å
280	W	97.5	Very high	95.1	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.2	173.9	-67.1	59.4	0	0	0	109.7	L260 Y269 P273 A277 L282 V329 I337 A339	L260-W280 HydrophobicContact CD2-CD2 4.04Å; L260-W280 HydrophobicContact CD2-CE3 3.66Å; L260-W280 HydrophobicContact CD2-CZ3 3.95Å; Y269-W280 HydrophobicContact CE2-CE3 4.37Å; Y269-W280 HydrophobicContact CE2-CZ3 4.24Å; P273-W280 HydrophobicContact CB-CD2 3.98Å; P273-W280 HydrophobicContact CB-CE3 4.12Å; P273-W280 HydrophobicContact CB-CH2 4.24Å; P273-W280 HydrophobicContact CB-CZ2 4.13Å; P273-W280 HydrophobicContact CB-CZ3 4.24Å; P273-W280 WeakPolarHBondContact O-CH2 3.18Å; P273-W280 WeakPolarHBondContact O-CZ3 3.4Å; A277-W280 PolarHBondContact O-NE1 2.63Å; W280-L282 HydrophobicContact CB-CD2 3.98Å; W280-L282 HydrophobicContact CE3-CD2 4.17Å; W280-V329 HydrophobicContact CB-CG2 3.7Å; W280-V329 HydrophobicContact CG-CG2 4.45Å; W280-V329 PolarHBondContact N-O 2.99Å; W280-V329 PolarHBondContact O-N 2.75Å; W280-I337 HydrophobicContact CG-CG2 4.46Å; W280-I337 PolarHBondContact NE1-O 3.02Å; W280-A339 HydrophobicContact CH2-CB 4.03Å
281	T	97.8	Very high	95.2	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.7	168.3	70.8	0	0	0	0	109.4	S271 Y318 V324 V328	S271-T281 PolarHBondContact OG-O 3.2Å; T281-Y318 HydrophobicContact CG2-CE1 4.41Å; T281-V324 HydrophobicContact CG2-CG1 4.13Å; T281-V328 HydrophobicContact CG2-CG2 4.25Å
282	L	98.1	Very high	95.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.1	-170.6	-44.6	176.9	0	0	0	110.8	L260 I264 Y269 W280 L293 L297 P326 V327 V329	L260-L282 HydrophobicContact CD2-CD2 4.27Å; I264-L282 HydrophobicContact CD1-CD1 3.96Å; Y269-L282 HydrophobicContact CD2-CB 4.4Å; Y269-L282 HydrophobicContact CD2-CD2 3.63Å; Y269-L282 HydrophobicContact CE2-CD2 3.76Å; Y269-L282 HydrophobicContact CG-CD2 4.46Å; W280-L282 HydrophobicContact CB-CD2 3.98Å; W280-L282 HydrophobicContact CE3-CD2 4.17Å; L282-L293 HydrophobicContact CB-CD1 4.44Å; L282-L297 HydrophobicContact CD1-CD1 3.56Å; L282-P326 VanDerWaalsContact O-CD 3.23Å; L282-P326 WeakPolarHBondContact O-CD 3.43Å; L282-V327 HydrophobicContact CB-CB 4.26Å; L282-V327 HydrophobicContact CD1-CG1 4.37Å; L282-V327 PolarHBondContact N-O 2.71Å; L282-V327 PolarHBondContact O-N 3.25Å; L282-V329 HydrophobicContact CD1-CG2 4.48Å
283	W	97.8	Very high	95.6	Very high	52 Å²	52	58.9 Å²	58.9	20%	0.197	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.9	173.7	-61.7	86.6	0	0	0	109.3	Y101 P103 Y269 I270 K285 D322 G325 P326	Y101-W283 HydrophobicContact CD1-CG 4.46Å; Y101-W283 AromaticContact CD1-NE1 3.9Å; P103-W283 HydrophobicContact CB-CH2 4.25Å; P103-W283 HydrophobicContact CB-CZ3 4.43Å; P103-W283 HydrophobicContact CG-CH2 3.64Å; P103-W283 HydrophobicContact CG-CZ2 3.93Å; P103-W283 HydrophobicContact CG-CZ3 4.24Å; Y269-W283 CarbonylContact C-O 3.41Å; Y269-W283 WeakPolarHBondContact CA-O 2.87Å; Y269-W283 WeakPolarHBondContact CB-O 3.43Å; I270-W283 HydrophobicContact CB-CB 4.2Å; I270-W283 PolarHBondContact N-O 3.27Å; I270-W283 PolarHBondContact O-N 3.34Å; W283-K285 PolarHBondContact O-N 2.93Å; W283-D322 VanDerWaalsContact CH2-O 3.27Å; W283-D322 WeakPolarHBondContact CH2-O 3.46Å; W283-D322 WeakPolarHBondContact CZ2-O 3.42Å; W283-G325 VanDerWaalsContact CZ2-CA 3.48Å; W283-P326 HydrophobicContact CE3-CG 4.36Å
284	P	97.8	Very high	96.2	Very high	37 Å²	37	59.2 Å²	59.2	24%	0.24	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.6	176.2	28.8	-35	0	0	0	111	V290 L293	P284-V290 HydrophobicContact CG-CG2 3.78Å; P284-L293 HydrophobicContact CB-CD1 3.92Å
285	K	97	Very high	96.7	Very high	68 Å²	68	56.1 Å²	56.1	30%	0.296	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-72.2	162.7	168.8	-79.1	172.4	169.5	166.3	0	110.3	P266 N267 E268 Y269 I270 W283 G287 Y288	P266-K285 PolarHBondContact O-NZ 3.4Å; N267-K285 WeakPolarHBondContact O-CD 3.44Å; E268-K285 PolarHBondContact O-N 3.32Å; Y269-K285 WeakPolarHBondContact O-CD 3.39Å; Y269-K285 WeakPolarHBondContact O-CE 3.49Å; Y269-K285 PolarHBondContact O-NZ 3.18Å; I270-K285 HydrophobicContact CD1-CG 4.1Å; I270-K285 HydrophobicContact CG1-CD 4.34Å; I270-K285 HydrophobicContact CG1-CG 3.75Å; W283-K285 PolarHBondContact O-N 2.93Å; K285-G287 PolarHBondContact O-N 2.98Å; K285-Y288 HydrophobicContact CB-CD2 4.15Å; K285-Y288 WeakPolarHBondContact O-CB 3.3Å; K285-Y288 PolarHBondContact O-N 3.41Å
286	Q	95.2	Very high	97.1	Very high	197 Å²	197	52 Å²	52	92%	0.921	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	133.1	174.2	-171.8	178.4	6.6	0	0	111.1	Y288	Q286-Y288 VanDerWaalsContact C-N 3.33Å
287	G	96.4	Very high	97.4	Very high	79 Å²	79	48.9 Å²	48.9	81%	0.814	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-8.7	-175.4	0	0	0	0	0	114.6	K285	K285-G287 PolarHBondContact O-N 2.98Å
288	Y	97.3	Very high	97.6	Very high	95 Å²	95	51 Å²	51	37%	0.373	26%	0.264	S	S	.	.			trans	-114.2	162	174.5	-58	-86.2	0	0	0	110.7	N267 E268 K285 Q286	N267-Y288 VanDerWaalsContact O-CE2 3.27Å; N267-Y288 WeakPolarHBondContact O-CE2 3.15Å; E268-Y288 HydrophobicContact CB-CD1 3.82Å; E268-Y288 HydrophobicContact CB-CD2 4.25Å; E268-Y288 HydrophobicContact CB-CE1 4Å; E268-Y288 HydrophobicContact CB-CE2 4.39Å; E268-Y288 HydrophobicContact CB-CG 3.96Å; E268-Y288 HydrophobicContact CG-CD1 3.77Å; E268-Y288 HydrophobicContact CG-CE1 3.46Å; E268-Y288 VanDerWaalsContact CG-CE1 3.46Å; E268-Y288 HydrophobicContact CG-CE2 4.36Å; E268-Y288 HydrophobicContact CG-CG 4.35Å; K285-Y288 HydrophobicContact CB-CD2 4.15Å; K285-Y288 WeakPolarHBondContact O-CB 3.3Å; K285-Y288 PolarHBondContact O-N 3.41Å; Q286-Y288 VanDerWaalsContact C-N 3.33Å
289	T	97.9	Very high	97.6	Very high	82 Å²	82	56 Å²	56	50%	0.503	29%	0.291	S	S	.	.			trans	-123.2	152.7	-178.5	67.4	0	0	0	0	110.9	R291 S292 L293	T289-R291 PolarHBondContact O-N 3.43Å; T289-S292 WeakPolarHBondContact O-CB 3.49Å; T289-S292 PolarHBondContact O-N 3.33Å; T289-S292 VanDerWaalsContact O-N 3.12Å; T289-S292 VanDerWaalsContact OG1-CB 3.29Å; T289-S292 WeakPolarHBondContact OG1-CB 3.22Å; T289-S292 PolarHBondContact OG1-N 2.92Å; T289-S292 VanDerWaalsContact OG1-N 3.07Å; T289-L293 PolarHBondContact O-N 2.84Å
290	V	98.3	Very high	97.6	Very high	46 Å²	46	62.2 Å²	62.2	28%	0.279	32%	0.315	S	S	.	.	H	α-helix	trans	-50	-47.5	171.8	175.4	0	0	0	0	110.4	P284 S292 L293 Y294 L308 P326 V327	P284-V290 HydrophobicContact CG-CG2 3.78Å; V290-S292 PolarHBondContact O-N 3Å; V290-L293 PolarHBondContact O-N 2.96Å; V290-Y294 WeakPolarHBondContact O-CB 3.08Å; V290-Y294 PolarHBondContact O-N 3.24Å; V290-L308 HydrophobicContact CG1-CD2 3.57Å; V290-P326 HydrophobicContact CB-CB 4.43Å; V290-P326 HydrophobicContact CG1-CB 3.84Å; V290-P326 HydrophobicContact CG1-CG 4.39Å; V290-P326 HydrophobicContact CG2-CB 3.68Å; V290-P326 HydrophobicContact CG2-CG 3.62Å; V290-V327 HydrophobicContact CG1-CG2 3.78Å
291	R	98.2	Very high	97.6	Very high	124 Å²	124	63.9 Å²	63.9	47%	0.468	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-35	-178.4	-166.1	69.5	-159.2	-165.6	-0	113.2	T289 N295	T289-R291 PolarHBondContact O-N 3.43Å; R291-N295 PolarHBondContact NE-OD1 3.07Å; R291-N295 PolarHBondContact NH2-OD1 3.34Å; R291-N295 VanDerWaalsContact O-CB 3.3Å; R291-N295 WeakPolarHBondContact O-CB 3.44Å; R291-N295 PolarHBondContact O-N 2.96Å; R291-N295 PolarHBondContact O-ND2 2.89Å
292	S	97.6	Very high	97.6	Very high	38 Å²	38	71 Å²	71	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-49.4	175.1	-179	0	0	0	0	111.2	T289 V290 N295 K296	T289-S292 WeakPolarHBondContact O-CB 3.49Å; T289-S292 PolarHBondContact O-N 3.33Å; T289-S292 VanDerWaalsContact O-N 3.12Å; T289-S292 VanDerWaalsContact OG1-CB 3.29Å; T289-S292 WeakPolarHBondContact OG1-CB 3.22Å; T289-S292 PolarHBondContact OG1-N 2.92Å; T289-S292 VanDerWaalsContact OG1-N 3.07Å; V290-S292 PolarHBondContact O-N 3Å; S292-N295 PolarHBondContact O-N 3.06Å; S292-K296 WeakPolarHBondContact O-CG 3.15Å; S292-K296 PolarHBondContact O-N 3.31Å; S292-K296 VanDerWaalsContact O-N 3.08Å
293	L	98.2	Very high	97.5	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-49	176.4	-68.3	-179.6	0	0	0	111.5	I264 E268 L282 P284 T289 V290 N295 K296 L297 V327	I264-L293 HydrophobicContact CG2-CD2 4.27Å; E268-L293 HydrophobicContact CB-CD2 3.75Å; L282-L293 HydrophobicContact CB-CD1 4.44Å; P284-L293 HydrophobicContact CB-CD1 3.92Å; T289-L293 PolarHBondContact O-N 2.84Å; V290-L293 PolarHBondContact O-N 2.96Å; L293-N295 PolarHBondContact O-N 2.93Å; L293-K296 PolarHBondContact O-N 3.39Å; L293-L297 WeakPolarHBondContact O-CG 3.24Å; L293-L297 PolarHBondContact O-N 2.89Å; L293-V327 HydrophobicContact CB-CG2 4.18Å
294	Y	98.6	Very high	97.6	Very high	20 Å²	20	73.6 Å²	73.6	8%	0.078	36%	0.364	C	S	.	.	H	α-helix	trans	-56.1	-51.9	178.1	175.9	-89.3	0	0	0	111.9	V290 K296 L297 K298 V306 L308	V290-Y294 WeakPolarHBondContact O-CB 3.08Å; V290-Y294 PolarHBondContact O-N 3.24Å; Y294-K296 VanDerWaalsContact C-N 3.25Å; Y294-K296 PolarHBondContact O-N 3.37Å; Y294-L297 PolarHBondContact O-N 2.97Å; Y294-L297 VanDerWaalsContact O-N 3.08Å; Y294-K298 HydrophobicContact CD1-CB 4.24Å; Y294-K298 HydrophobicContact CE1-CB 3.92Å; Y294-K298 HydrophobicContact CE1-CD 4.44Å; Y294-K298 HydrophobicContact CE1-CG 3.88Å; Y294-K298 HydrophobicContact CE2-CD 4.34Å; Y294-K298 VanDerWaalsContact O-CB 3.27Å; Y294-K298 WeakPolarHBondContact O-CB 3.43Å; Y294-K298 PolarHBondContact O-N 3.49Å; Y294-V306 HydrophobicContact CD2-CG1 3.91Å; Y294-V306 HydrophobicContact CE2-CG1 4.18Å; Y294-L308 HydrophobicContact CD2-CD2 3.66Å; Y294-L308 HydrophobicContact CD2-CG 3.66Å; Y294-L308 HydrophobicContact CE2-CD2 4.39Å; Y294-L308 HydrophobicContact CE2-CG 3.88Å; Y294-L308 HydrophobicContact CG-CD2 3.85Å; Y294-L308 HydrophobicContact CG-CG 4.14Å
295	N	98.3	Very high	97.6	Very high	76 Å²	76	73.8 Å²	73.8	41%	0.406	36%	0.363	S	S	.	.	H	α-helix	trans	-64.7	-28.4	-177.9	-73.2	-14	0	0	0	113	R291 S292 L293 L297 R300	R291-N295 PolarHBondContact NE-OD1 3.07Å; R291-N295 PolarHBondContact NH2-OD1 3.34Å; R291-N295 VanDerWaalsContact O-CB 3.3Å; R291-N295 WeakPolarHBondContact O-CB 3.44Å; R291-N295 PolarHBondContact O-N 2.96Å; R291-N295 PolarHBondContact O-ND2 2.89Å; S292-N295 PolarHBondContact O-N 3.06Å; L293-N295 PolarHBondContact O-N 2.93Å; N295-L297 VanDerWaalsContact C-N 3.33Å; N295-R300 PolarHBondContact O-NH2 3.44Å
296	K	98.3	Very high	97.7	Very high	65 Å²	65	70.7 Å²	70.7	28%	0.283	35%	0.349	S	S	.	.	H	α-helix	trans	-72.7	-25.1	175.6	-78.3	-179.8	178.3	-177.6	0	113	I264 E268 S292 L293 Y294 R300	I264-K296 HydrophobicContact CG2-CB 3.71Å; I264-K296 HydrophobicContact CG2-CD 4.05Å; E268-K296 IonicContact OE1-NZ 3.65Å; E268-K296 PolarHBondContact OE1-NZ 2.86Å; E268-K296 IonicContact OE2-NZ 3.59Å; E268-K296 PolarHBondContact OE2-NZ 3.07Å; S292-K296 WeakPolarHBondContact O-CG 3.15Å; S292-K296 PolarHBondContact O-N 3.31Å; S292-K296 VanDerWaalsContact O-N 3.08Å; L293-K296 PolarHBondContact O-N 3.39Å; Y294-K296 VanDerWaalsContact C-N 3.25Å; Y294-K296 PolarHBondContact O-N 3.37Å; K296-R300 WeakPolarHBondContact O-CG 3.49Å
297	L	98.5	Very high	97.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-103.3	-37.2	-175.6	-65.6	166.4	0	0	0	112.8	L260 Y263 I264 L282 L293 Y294 N295 D299 R300 L304 V306 V327 V329	L260-L297 HydrophobicContact CD1-CD2 3.62Å; Y263-L297 HydrophobicContact CD2-CD2 4.45Å; Y263-L297 HydrophobicContact CG-CD2 4.5Å; I264-L297 HydrophobicContact CD1-CD1 4.29Å; I264-L297 HydrophobicContact CD1-CD2 4.39Å; I264-L297 HydrophobicContact CG1-CD2 4.37Å; I264-L297 HydrophobicContact CG2-CD1 4.32Å; I264-L297 HydrophobicContact CG2-CD2 3.89Å; I264-L297 HydrophobicContact CG2-CG 3.88Å; L282-L297 HydrophobicContact CD1-CD1 3.56Å; L293-L297 WeakPolarHBondContact O-CG 3.24Å; L293-L297 PolarHBondContact O-N 2.89Å; Y294-L297 PolarHBondContact O-N 2.97Å; Y294-L297 VanDerWaalsContact O-N 3.08Å; N295-L297 VanDerWaalsContact C-N 3.33Å; L297-D299 PolarHBondContact O-N 3.21Å; L297-R300 WeakPolarHBondContact O-CB 3.29Å; L297-R300 WeakPolarHBondContact O-CG 3.36Å; L297-R300 PolarHBondContact O-N 3.16Å; L297-R300 VanDerWaalsContact O-N 3.11Å; L297-L304 HydrophobicContact CD2-CD2 4.44Å; L297-V306 HydrophobicContact CB-CG1 3.93Å; L297-V306 HydrophobicContact CB-CG2 3.95Å; L297-V327 HydrophobicContact CD1-CG1 4.36Å; L297-V329 HydrophobicContact CD1-CG1 3.96Å
298	K	98	Very high	97.9	Very high	59 Å²	59	60.8 Å²	60.8	26%	0.257	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	128.7	-174.6	-176.4	59.6	177.1	175.7	0	110.7	Y294 R300 V306	Y294-K298 HydrophobicContact CD1-CB 4.24Å; Y294-K298 HydrophobicContact CE1-CB 3.92Å; Y294-K298 HydrophobicContact CE1-CD 4.44Å; Y294-K298 HydrophobicContact CE1-CG 3.88Å; Y294-K298 HydrophobicContact CE2-CD 4.34Å; Y294-K298 VanDerWaalsContact O-CB 3.27Å; Y294-K298 WeakPolarHBondContact O-CB 3.43Å; Y294-K298 PolarHBondContact O-N 3.49Å; K298-R300 PolarHBondContact O-N 3.03Å; K298-R300 PolarHBondContact O-NH1 3.28Å; K298-R300 VanDerWaalsContact O-NH1 3.13Å; K298-V306 HydrophobicContact CB-CG1 4.44Å; K298-V306 HydrophobicContact CD-CB 4.24Å
299	D	96.4	Very high	98	Very high	130 Å²	130	58 Å²	58	70%	0.695	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	17	178.6	-47.9	-35	0	0	0	114.8	L297	L297-D299 PolarHBondContact O-N 3.21Å
300	R	97.1	Very high	97.9	Very high	134 Å²	134	60.8 Å²	60.8	51%	0.506	28%	0.277	S	S	.	.	S	Bend	trans	-79.5	-24.9	177.1	-69.7	-58.9	-179	-86.5	-0.6	114.6	Y263 N295 K296 L297 K298	Y263-R300 HydrophobicContact CD1-CB 3.66Å; Y263-R300 HydrophobicContact CD1-CG 3.87Å; Y263-R300 HydrophobicContact CE1-CB 3.58Å; Y263-R300 HydrophobicContact CE1-CG 4.24Å; Y263-R300 HydrophobicContact CG-CB 4.25Å; Y263-R300 HydrophobicContact CG-CG 4.46Å; N295-R300 PolarHBondContact O-NH2 3.44Å; K296-R300 WeakPolarHBondContact O-CG 3.49Å; L297-R300 WeakPolarHBondContact O-CB 3.29Å; L297-R300 WeakPolarHBondContact O-CG 3.36Å; L297-R300 PolarHBondContact O-N 3.16Å; L297-R300 VanDerWaalsContact O-N 3.11Å; K298-R300 PolarHBondContact O-N 3.03Å; K298-R300 PolarHBondContact O-NH1 3.28Å; K298-R300 VanDerWaalsContact O-NH1 3.13Å
301	H	97.8	Very high	97.9	Very high	35 Å²	35	63 Å²	63	16%	0.162	28%	0.284	C	S	.	.	S	Bend	trans	-142.1	126.8	176.4	-165.7	-82.7	0	0	0	109.2	I258 R303 L304 W335	I258-H301 HydrophobicContact CG2-CB 4.37Å; H301-R303 WeakPolarHBondContact ND1-CB 3.19Å; H301-R303 PolarHBondContact ND1-N 3.4Å; H301-R303 PolarHBondContact O-N 3.12Å; H301-L304 HydrophobicContact CB-CB 3.9Å; H301-L304 PolarHBondContact O-N 3.09Å; H301-W335 AromaticContact CE1-CE3 3.95Å; H301-W335 AromaticContact CE1-CH2 3.8Å; H301-W335 AromaticContact CE1-CZ3 3.45Å; H301-W335 VanDerWaalsContact CE1-CZ3 3.45Å; H301-W335 WeakPolarHBondContact CE1-CZ3 3.41Å; H301-W335 AromaticContact NE2-CZ3 3.79Å
302	F	96.2	Very high	97.8	Very high	154 Å²	154	57.8 Å²	57.8	68%	0.675	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.7	-174.6	68.8	-78.3	0	0	0	114.7	W335	F302-W335 HydrophobicContact CZ-CZ2 4.45Å
303	R	97.7	Very high	97.8	Very high	95 Å²	95	57.6 Å²	57.6	36%	0.358	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	5.4	175.9	-54.8	-67.4	-166.5	-177.8	-1.7	113.5	I258 H301 D332 W335	I258-R303 HydrophobicContact CD1-CB 4.1Å; I258-R303 WeakPolarHBondContact CD1-O 3.45Å; H301-R303 WeakPolarHBondContact ND1-CB 3.19Å; H301-R303 PolarHBondContact ND1-N 3.4Å; H301-R303 PolarHBondContact O-N 3.12Å; R303-D332 HydrophobicContact CB-CB 4.18Å; R303-D332 WeakPolarHBondContact CD-OD2 3.27Å; R303-D332 IonicContact CZ-OD2 3.37Å; R303-D332 IonicContact NE-OD2 2.67Å; R303-D332 IonicContact NH1-OD2 3.35Å; R303-D332 PolarHBondContact NH1-OD2 2.79Å; R303-D332 PolarHBondContact O-N 3.09Å; R303-W335 HydrophobicContact CB-CD2 3.86Å; R303-W335 HydrophobicContact CB-CE3 4.28Å; R303-W335 HydrophobicContact CB-CG 4.09Å; R303-W335 HydrophobicContact CB-CZ2 4.48Å; R303-W335 HydrophobicContact CG-CD2 3.95Å; R303-W335 HydrophobicContact CG-CE3 4.5Å; R303-W335 HydrophobicContact CG-CG 4.41Å; R303-W335 HydrophobicContact CG-CH2 4.28Å; R303-W335 HydrophobicContact CG-CZ2 3.71Å
304	L	98.4	Very high	97.7	Very high	12 Å²	12	63.7 Å²	63.7	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.6	176.4	-171.2	67.7	0	0	0	108.6	I258 L297 H301 V306 V329 I337	I258-L304 HydrophobicContact CD1-CB 3.99Å; I258-L304 HydrophobicContact CD1-CD1 4.18Å; I258-L304 HydrophobicContact CG2-CD1 4.41Å; I258-L304 HydrophobicContact CG2-CD2 4.4Å; L297-L304 HydrophobicContact CD2-CD2 4.44Å; H301-L304 HydrophobicContact CB-CB 3.9Å; H301-L304 PolarHBondContact O-N 3.09Å; L304-V306 HydrophobicContact CD2-CG2 3.88Å; L304-V306 HydrophobicContact CG-CG2 3.83Å; L304-V329 HydrophobicContact CD1-CB 4.07Å; L304-V329 HydrophobicContact CD1-CG2 4.46Å; L304-V329 HydrophobicContact CG-CB 4.46Å; L304-I337 HydrophobicContact CD1-CD1 3.48Å; L304-I337 VanDerWaalsContact CD1-CD1 3.48Å; L304-I337 HydrophobicContact CD1-CG1 3.85Å
305	N	98.3	Very high	97.6	Very high	41 Å²	41	67.4 Å²	67.4	22%	0.219	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.2	173	-64.9	-73	0	0	0	108.2	Y307 V329 Y330 D332	N305-Y307 HydrophobicContact CB-CE2 4.08Å; N305-V329 CarbonylContact O-C 3.58Å; N305-V329 WeakPolarHBondContact O-CA 3.43Å; N305-Y330 HydrophobicContact CB-CD1 3.9Å; N305-Y330 HydrophobicContact CB-CD2 3.82Å; N305-Y330 HydrophobicContact CB-CE1 3.58Å; N305-Y330 HydrophobicContact CB-CE2 3.48Å; N305-Y330 VanDerWaalsContact CB-CE2 3.48Å; N305-Y330 HydrophobicContact CB-CG 4.02Å; N305-Y330 WeakPolarHBondContact CB-O 3.37Å; N305-Y330 PolarHBondContact N-O 3.18Å; N305-Y330 WeakPolarHBondContact ND2-CE2 3.36Å; N305-Y330 PolarHBondContact ND2-O 3.14Å; N305-Y330 PolarHBondContact O-N 3.11Å; N305-D332 PolarHBondContact ND2-OD1 3.11Å
306	V	98.6	Very high	97.6	Very high	2 Å²	2	64 Å²	64	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.6	-176	-176.4	0	0	0	0	108.9	Y294 L297 K298 L304 V327 V329	Y294-V306 HydrophobicContact CD2-CG1 3.91Å; Y294-V306 HydrophobicContact CE2-CG1 4.18Å; L297-V306 HydrophobicContact CB-CG1 3.93Å; L297-V306 HydrophobicContact CB-CG2 3.95Å; K298-V306 HydrophobicContact CB-CG1 4.44Å; K298-V306 HydrophobicContact CD-CB 4.24Å; L304-V306 HydrophobicContact CD2-CG2 3.88Å; L304-V306 HydrophobicContact CG-CG2 3.83Å; V306-V327 HydrophobicContact CG1-CG1 4.32Å; V306-V329 HydrophobicContact CB-CG1 4.16Å; V306-V329 HydrophobicContact CG1-CG1 3.92Å; V306-V329 HydrophobicContact CG2-CG1 3.81Å
307	Y	98.5	Very high	97.5	Very high	60 Å²	60	65.4 Å²	65.4	24%	0.235	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.5	-178.7	-71	-89.6	0	0	0	110.6	N305 E311 L312 P313 V328 Y330	N305-Y307 HydrophobicContact CB-CE2 4.08Å; Y307-E311 HydrophobicContact CD1-CB 4.46Å; Y307-E311 VanDerWaalsContact CD1-O 3.31Å; Y307-E311 WeakPolarHBondContact CD1-O 3.41Å; Y307-L312 HydrophobicContact CD2-CD2 4.2Å; Y307-L312 HydrophobicContact CG-CD2 3.95Å; Y307-P313 HydrophobicContact CE1-CG 4.23Å; Y307-V328 PolarHBondContact N-O 3.36Å; Y307-V328 PolarHBondContact O-N 3.48Å; Y307-Y330 AromaticContact CD2-CE1 3.81Å; Y307-Y330 HydrophobicContact CD2-CE1 3.81Å; Y307-Y330 AromaticContact CE2-CE1 3.83Å; Y307-Y330 HydrophobicContact CE2-CE1 3.83Å; Y307-Y330 WeakPolarHBondContact CE2-OH 3.23Å
308	L	98.5	Very high	97.5	Very high	9 Å²	9	65.5 Å²	65.5	5%	0.047	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	145.4	152.8	-63.2	177.2	0	0	0	108	V290 Y294 E310 E311 L312 P326 V327	V290-L308 HydrophobicContact CG1-CD2 3.57Å; Y294-L308 HydrophobicContact CD2-CD2 3.66Å; Y294-L308 HydrophobicContact CD2-CG 3.66Å; Y294-L308 HydrophobicContact CE2-CD2 4.39Å; Y294-L308 HydrophobicContact CE2-CG 3.88Å; Y294-L308 HydrophobicContact CG-CD2 3.85Å; Y294-L308 HydrophobicContact CG-CG 4.14Å; L308-E310 HydrophobicContact CB-CG 4.35Å; L308-E310 PolarHBondContact O-N 3.32Å; L308-E311 HydrophobicContact CB-CB 4.22Å; L308-E311 HydrophobicContact CB-CG 3.99Å; L308-E311 CarbonylContact O-C 3.31Å; L308-E311 WeakPolarHBondContact O-CA 3.41Å; L308-E311 PolarHBondContact O-N 3.44Å; L308-L312 PolarHBondContact O-N 2.86Å; L308-P326 WeakPolarHBondContact CA-O 3.46Å; L308-V327 HydrophobicContact CD2-CG2 4.33Å
309	K	98.1	Very high	97.4	Very high	35 Å²	35	64.1 Å²	64.1	15%	0.152	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-52.6	-42.6	-177.9	176.4	-178.1	176.9	173.9	0	112.1	E311 L312 G319 S321 V324 P326	K309-E311 VanDerWaalsContact C-N 3.26Å; K309-E311 PolarHBondContact O-N 3.06Å; K309-L312 WeakPolarHBondContact O-CB 3.42Å; K309-L312 PolarHBondContact O-N 2.66Å; K309-G319 WeakPolarHBondContact CE-O 3.3Å; K309-S321 WeakPolarHBondContact CE-O 3.27Å; K309-S321 PolarHBondContact NZ-O 3.25Å; K309-V324 HydrophobicContact CD-CB 4.37Å; K309-V324 HydrophobicContact CD-CG1 4.32Å; K309-V324 WeakPolarHBondContact CD-O 3.39Å; K309-V324 HydrophobicContact CG-CG1 4.23Å; K309-V324 PolarHBondContact NZ-O 3.08Å; K309-V324 VanDerWaalsContact NZ-O 3.07Å; K309-P326 PolarHBondContact N-O 3.39Å
310	E	96.5	Very high	97.3	Very high	142 Å²	142	61.6 Å²	61.6	66%	0.664	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-70.7	-16.5	177.8	63.5	-87.6	-160.5	0	0	114.3	L308	L308-E310 HydrophobicContact CB-CG 4.35Å; L308-E310 PolarHBondContact O-N 3.32Å
311	E	97.2	Very high	97.2	Very high	91 Å²	91	55.9 Å²	55.9	43%	0.425	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-99.7	0.3	178.9	-63.9	177.3	167.6	0	0	112.6	Y307 L308 K309	Y307-E311 HydrophobicContact CD1-CB 4.46Å; Y307-E311 VanDerWaalsContact CD1-O 3.31Å; Y307-E311 WeakPolarHBondContact CD1-O 3.41Å; L308-E311 HydrophobicContact CB-CB 4.22Å; L308-E311 HydrophobicContact CB-CG 3.99Å; L308-E311 CarbonylContact O-C 3.31Å; L308-E311 WeakPolarHBondContact O-CA 3.41Å; L308-E311 PolarHBondContact O-N 3.44Å; K309-E311 VanDerWaalsContact C-N 3.26Å; K309-E311 PolarHBondContact O-N 3.06Å
312	L	97.4	Very high	97.1	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.079	30%	0.296	C	S	.	.	S	Bend	trans	-58.8	141.5	178.2	-80.8	169	0	0	0	110.9	Y307 L308 K309 T314 F316 Y318 V328	Y307-L312 HydrophobicContact CD2-CD2 4.2Å; Y307-L312 HydrophobicContact CG-CD2 3.95Å; L308-L312 PolarHBondContact O-N 2.86Å; K309-L312 WeakPolarHBondContact O-CB 3.42Å; K309-L312 PolarHBondContact O-N 2.66Å; L312-T314 PolarHBondContact O-N 2.9Å; L312-F316 HydrophobicContact CD2-CD2 4.29Å; L312-Y318 HydrophobicContact CD1-CD1 4.02Å; L312-V328 HydrophobicContact CD1-CB 4.41Å; L312-V328 HydrophobicContact CD1-CG2 4.04Å; L312-V328 HydrophobicContact CD2-CB 4.26Å; L312-V328 HydrophobicContact CD2-CG1 4.31Å
313	P	97.7	Very high	97.2	Very high	34 Å²	34	51.9 Å²	51.9	22%	0.221	27%	0.265	C	S	.	.			trans	-51.2	124.5	171.9	-27.6	34.7	0	0	0	111.3	Y307 R315 F316	Y307-P313 HydrophobicContact CE1-CG 4.23Å; P313-R315 HydrophobicContact CB-CG 4.09Å; P313-R315 PolarHBondContact O-N 3.39Å; P313-R315 VanDerWaalsContact O-N 3.11Å; P313-F316 HydrophobicContact CB-CD2 3.93Å; P313-F316 HydrophobicContact CB-CE2 3.97Å; P313-F316 HydrophobicContact CB-CG 4.44Å; P313-F316 HydrophobicContact CG-CD2 3.99Å; P313-F316 HydrophobicContact CG-CE2 3.63Å; P313-F316 HydrophobicContact CG-CZ 4.31Å; P313-F316 WeakPolarHBondContact O-CB 3.45Å; P313-F316 PolarHBondContact O-N 2.9Å
314	T	96.4	Very high	97.2	Very high	128 Å²	128	47.3 Å²	47.3	79%	0.785	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-59.2	-28.1	-176.3	51.1	0	0	0	0	112.9	L312 F316 F317	L312-T314 PolarHBondContact O-N 2.9Å; T314-F316 PolarHBondContact O-N 3.17Å; T314-F316 VanDerWaalsContact O-N 3.11Å; T314-F317 PolarHBondContact O-N 2.79Å; T314-F317 VanDerWaalsContact O-N 3.09Å
315	R	96.3	Very high	97.2	Very high	99 Å²	99	46.8 Å²	46.8	37%	0.374	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59.7	-17.5	175	70.3	175.5	176.9	84.7	9.5	114.5	P313 F317 D356 D358	P313-R315 HydrophobicContact CB-CG 4.09Å; P313-R315 PolarHBondContact O-N 3.39Å; P313-R315 VanDerWaalsContact O-N 3.11Å; R315-F317 VanDerWaalsContact O-CD2 3.24Å; R315-F317 WeakPolarHBondContact O-CD2 3.31Å; R315-F317 WeakPolarHBondContact O-CE2 3.4Å; R315-D356 IonicContact CZ-OD1 3.58Å; R315-D356 IonicContact CZ-OD2 3.97Å; R315-D356 IonicContact NH1-OD1 3.5Å; R315-D356 PolarHBondContact NH1-OD1 2.97Å; R315-D356 IonicContact NH1-OD2 3.64Å; R315-D356 PolarHBondContact NH1-OD2 2.98Å; R315-D356 IonicContact NH2-OD1 3.97Å; R315-D356 PolarHBondContact NH2-OD1 3.21Å; R315-D356 IonicContact NH2-OD2 3Å; R315-D356 PolarHBondContact NH2-OD2 2.84Å; R315-D358 IonicContact CZ-OD2 3.48Å; R315-D358 IonicContact NE-OD2 2.77Å; R315-D358 IonicContact NH1-OD1 3.39Å; R315-D358 PolarHBondContact NH1-OD1 3.49Å; R315-D358 VanDerWaalsContact NH1-OD1 3.17Å; R315-D358 IonicContact NH1-OD2 3.5Å; R315-D358 PolarHBondContact NH1-OD2 3.5Å; R315-D358 IonicContact NH2-OD2 3.58Å
316	F	97.8	Very high	97.2	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-79.5	-19.7	176.7	-67.4	-31.8	0	0	0	113.7	F73 L312 P313 T314 Y318 Y330 D356	F73-F316 HydrophobicContact CB-CB 3.92Å; F73-F316 HydrophobicContact CB-CD1 3.68Å; F73-F316 HydrophobicContact CB-CE1 4.42Å; F73-F316 HydrophobicContact CB-CG 4Å; F73-F316 HydrophobicContact CD1-CB 3.86Å; F73-F316 HydrophobicContact CD1-CD1 4.2Å; F73-F316 HydrophobicContact CD1-CD2 4.1Å; F73-F316 AromaticContact CD1-CG 3.83Å; F73-F316 HydrophobicContact CD1-CG 3.83Å; F73-F316 AromaticContact CD2-CD1 3.85Å; F73-F316 HydrophobicContact CD2-CD1 3.85Å; F73-F316 AromaticContact CD2-CE1 3.8Å; F73-F316 HydrophobicContact CD2-CE1 3.8Å; F73-F316 HydrophobicContact CD2-CG 4.27Å; F73-F316 HydrophobicContact CD2-CZ 4.19Å; F73-F316 HydrophobicContact CE1-CD2 4.17Å; F73-F316 HydrophobicContact CE1-CE2 4.48Å; F73-F316 HydrophobicContact CE1-CG 4.36Å; F73-F316 HydrophobicContact CE2-CE1 4.22Å; F73-F316 HydrophobicContact CE2-CE2 4.37Å; F73-F316 HydrophobicContact CE2-CZ 4.14Å; F73-F316 HydrophobicContact CG-CB 4.01Å; F73-F316 AromaticContact CG-CD1 3.63Å; F73-F316 HydrophobicContact CG-CD1 3.63Å; F73-F316 HydrophobicContact CG-CD2 4.31Å; F73-F316 HydrophobicContact CG-CE1 4.08Å; F73-F316 AromaticContact CG-CG 3.76Å; F73-F316 HydrophobicContact CG-CG 3.76Å; F73-F316 HydrophobicContact CZ-CD2 4.44Å; F73-F316 HydrophobicContact CZ-CE2 4.31Å; L312-F316 HydrophobicContact CD2-CD2 4.29Å; P313-F316 HydrophobicContact CB-CD2 3.93Å; P313-F316 HydrophobicContact CB-CE2 3.97Å; P313-F316 HydrophobicContact CB-CG 4.44Å; P313-F316 HydrophobicContact CG-CD2 3.99Å; P313-F316 HydrophobicContact CG-CE2 3.63Å; P313-F316 HydrophobicContact CG-CZ 4.31Å; P313-F316 WeakPolarHBondContact O-CB 3.45Å; P313-F316 PolarHBondContact O-N 2.9Å; T314-F316 PolarHBondContact O-N 3.17Å; T314-F316 VanDerWaalsContact O-N 3.11Å; F316-Y318 PolarHBondContact O-N 3.37Å; F316-Y330 HydrophobicContact CE2-CE1 4.14Å; F316-D356 WeakPolarHBondContact CE1-OD2 3.37Å; F316-D356 WeakPolarHBondContact CZ-OD2 3.49Å
317	F	97	Very high	97.2	Very high	96 Å²	96	45.8 Å²	45.8	42%	0.421	24%	0.241	S	C	.	.			trans	47.2	31.9	-176.6	-55.1	-77.2	0	0	0	114.1	H89 G91 T314 R315	H89-F317 HydrophobicContact CB-CB 3.58Å; H89-F317 AromaticContact CD2-CD1 3.92Å; H89-F317 AromaticContact CD2-CG 3.55Å; H89-F317 AromaticContact CE1-CD2 3.53Å; H89-F317 AromaticContact CE1-CG 3.87Å; H89-F317 AromaticContact CG-CG 3.8Å; H89-F317 AromaticContact ND1-CD2 3.84Å; H89-F317 AromaticContact ND1-CG 3.99Å; H89-F317 AromaticContact NE2-CD1 3.96Å; H89-F317 AromaticContact NE2-CD2 3.66Å; H89-F317 AromaticContact NE2-CG 3.62Å; G91-F317 WeakPolarHBondContact CA-O 3.45Å; G91-F317 PolarHBondContact N-O 2.8Å; T314-F317 PolarHBondContact O-N 2.79Å; T314-F317 VanDerWaalsContact O-N 3.09Å; R315-F317 VanDerWaalsContact O-CD2 3.24Å; R315-F317 WeakPolarHBondContact O-CD2 3.31Å; R315-F317 WeakPolarHBondContact O-CE2 3.4Å
318	Y	97.7	Very high	97.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	23%	0.229	C	C	.	.			trans	-105.4	-38.9	-168.4	-172.7	-115.9	0	0	0	112.8	F73 P74 P90 G91 V96 I279 T281 L312 F316 S320 V324	F73-Y318 HydrophobicContact CD1-CD1 4.07Å; F73-Y318 HydrophobicContact CD1-CD2 4.24Å; F73-Y318 AromaticContact CD1-CG 3.83Å; F73-Y318 HydrophobicContact CD1-CG 3.83Å; F73-Y318 AromaticContact CE1-CD1 3.92Å; F73-Y318 HydrophobicContact CE1-CD1 3.92Å; F73-Y318 HydrophobicContact CE1-CE1 4.3Å; F73-Y318 HydrophobicContact CE1-CG 4.18Å; F73-Y318 VanDerWaalsContact O-CD2 3.26Å; F73-Y318 WeakPolarHBondContact O-CD2 3.41Å; P74-Y318 HydrophobicContact CG-CE2 4.41Å; P90-Y318 HydrophobicContact CB-CD2 4.16Å; P90-Y318 HydrophobicContact CB-CE2 4.42Å; G91-Y318 WeakPolarHBondContact CA-O 3.36Å; V96-Y318 HydrophobicContact CB-CE2 3.68Å; V96-Y318 HydrophobicContact CG1-CE2 4.18Å; V96-Y318 VanDerWaalsContact O-CE2 3.26Å; V96-Y318 WeakPolarHBondContact O-CE2 3.35Å; V96-Y318 PolarHBondContact O-OH 2.9Å; I279-Y318 HydrophobicContact CD1-CE1 4.17Å; T281-Y318 HydrophobicContact CG2-CE1 4.41Å; L312-Y318 HydrophobicContact CD1-CD1 4.02Å; F316-Y318 PolarHBondContact O-N 3.37Å; Y318-S320 PolarHBondContact O-N 3.21Å; Y318-V324 HydrophobicContact CD1-CG1 3.93Å; Y318-V324 HydrophobicContact CD1-CG2 3.87Å; Y318-V324 HydrophobicContact CD2-CG2 4.31Å; Y318-V324 HydrophobicContact CE1-CB 4.19Å; Y318-V324 HydrophobicContact CE1-CG1 3.56Å; Y318-V324 HydrophobicContact CE1-CG2 3.48Å; Y318-V324 VanDerWaalsContact CE1-CG2 3.48Å; Y318-V324 HydrophobicContact CE2-CG2 3.95Å; Y318-V324 HydrophobicContact CG-CG2 4.27Å
319	G	95	Very high	97.1	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	0.8	-170.8	0	0	0	0	0	116.2	K309	K309-G319 WeakPolarHBondContact CE-O 3.3Å
320	S	94.9	Very high	97.1	Very high	78 Å²	78	41.3 Å²	41.3	55%	0.545	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.8	180	52.7	0	0	0	0	114.4	G91 Y318	G91-S320 WeakPolarHBondContact CA-OG 3.34Å; G91-S320 CarbonylContact O-C 3.58Å; G91-S320 PolarHBondContact O-OG 2.92Å; Y318-S320 PolarHBondContact O-N 3.21Å
321	S	96	Very high	97.2	Very high	13 Å²	13	34.6 Å²	34.6	9%	0.091	19%	0.19	C	C	.	.	S	Bend	trans	-82.4	135.1	-176.5	178.7	0	0	0	0	112.1	G91 K309 R323 V324	G91-S321 WeakPolarHBondContact O-CA 3.48Å; G91-S321 WeakPolarHBondContact O-CB 3.43Å; G91-S321 PolarHBondContact O-N 3.07Å; K309-S321 WeakPolarHBondContact CE-O 3.27Å; K309-S321 PolarHBondContact NZ-O 3.25Å; S321-R323 PolarHBondContact O-N 3.21Å; S321-R323 VanDerWaalsContact O-N 3.12Å; S321-R323 PolarHBondContact OG-N 2.86Å; S321-V324 PolarHBondContact O-N 3.12Å
322	D	95.7	Very high	97.3	Very high	97 Å²	97	31.2 Å²	31.2	52%	0.519	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.4	173.4	-69.2	-34	0	0	0	114.2	P103 I104 W283 V324	P103-D322 WeakPolarHBondContact CG-O 3.47Å; I104-D322 HydrophobicContact CD1-CB 4.09Å; W283-D322 VanDerWaalsContact CH2-O 3.27Å; W283-D322 WeakPolarHBondContact CH2-O 3.46Å; W283-D322 WeakPolarHBondContact CZ2-O 3.42Å; D322-V324 VanDerWaalsContact C-N 3.31Å
323	R	97.4	Very high	97.3	Very high	8 Å²	8	32.3 Å²	32.3	3%	0.03	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.8	174.9	-66.2	161.4	174.5	178.9	2.2	113.1	G94 V96 F100 D102 R121 F122 V125 S321	G94-R323 WeakPolarHBondContact O-CD 3.43Å; G94-R323 PolarHBondContact O-NH1 3.03Å; V96-R323 HydrophobicContact CG1-CB 4.3Å; V96-R323 HydrophobicContact CG2-CB 3.64Å; F100-R323 HydrophobicContact CD2-CB 3.99Å; F100-R323 HydrophobicContact CD2-CG 4.06Å; F100-R323 HydrophobicContact CE2-CB 4.33Å; F100-R323 VanDerWaalsContact CE2-CD 3.45Å; F100-R323 HydrophobicContact CE2-CG 3.98Å; D102-R323 HydrophobicContact CB-CG 4.15Å; D102-R323 IonicContact OD2-CZ 3.61Å; D102-R323 IonicContact OD2-NE 3.68Å; D102-R323 PolarHBondContact OD2-NE 3.49Å; D102-R323 IonicContact OD2-NH2 3.17Å; D102-R323 PolarHBondContact OD2-NH2 2.84Å; D102-R323 VanDerWaalsContact OD2-NH2 3.08Å; R121-R323 PolarHBondContact O-NH2 3.07Å; F122-R323 PolarHBondContact O-NH1 2.97Å; F122-R323 PolarHBondContact O-NH2 2.69Å; V125-R323 VanDerWaalsContact CG1-NH2 3.27Å; S321-R323 PolarHBondContact O-N 3.21Å; S321-R323 VanDerWaalsContact O-N 3.12Å; S321-R323 PolarHBondContact OG-N 2.86Å
324	V	98.1	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-85.8	119.7	170.4	-178.5	0	0	0	0	108.8	V96 T281 K309 Y318 S321 D322 V328	V96-V324 HydrophobicContact CB-CG2 4.02Å; V96-V324 HydrophobicContact CG1-CG2 3.83Å; V96-V324 HydrophobicContact CG2-CG2 4.37Å; T281-V324 HydrophobicContact CG2-CG1 4.13Å; K309-V324 HydrophobicContact CD-CB 4.37Å; K309-V324 HydrophobicContact CD-CG1 4.32Å; K309-V324 WeakPolarHBondContact CD-O 3.39Å; K309-V324 HydrophobicContact CG-CG1 4.23Å; K309-V324 PolarHBondContact NZ-O 3.08Å; K309-V324 VanDerWaalsContact NZ-O 3.07Å; Y318-V324 HydrophobicContact CD1-CG1 3.93Å; Y318-V324 HydrophobicContact CD1-CG2 3.87Å; Y318-V324 HydrophobicContact CD2-CG2 4.31Å; Y318-V324 HydrophobicContact CE1-CB 4.19Å; Y318-V324 HydrophobicContact CE1-CG1 3.56Å; Y318-V324 HydrophobicContact CE1-CG2 3.48Å; Y318-V324 VanDerWaalsContact CE1-CG2 3.48Å; Y318-V324 HydrophobicContact CE2-CG2 3.95Å; Y318-V324 HydrophobicContact CG-CG2 4.27Å; S321-V324 PolarHBondContact O-N 3.12Å; D322-V324 VanDerWaalsContact C-N 3.31Å; V324-V328 HydrophobicContact CG1-CG2 3.5Å
325	G	97.8	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.			trans	-63.1	156	175.7	0	0	0	0	0	113.5	W283 V327	W283-G325 VanDerWaalsContact CZ2-CA 3.48Å; G325-V327 VanDerWaalsContact C-N 3.25Å; G325-V327 PolarHBondContact O-N 3.03Å
326	P	98	Very high	97.3	Very high	22 Å²	22	21.9 Å²	21.9	14%	0.143	12%	0.124	C	C	.	.	S	Bend	trans	-67.9	-19.7	-173	27.8	-38.1	0	0	0	114.4	L282 W283 V290 L308 K309	L282-P326 VanDerWaalsContact O-CD 3.23Å; L282-P326 WeakPolarHBondContact O-CD 3.43Å; W283-P326 HydrophobicContact CE3-CG 4.36Å; V290-P326 HydrophobicContact CB-CB 4.43Å; V290-P326 HydrophobicContact CG1-CB 3.84Å; V290-P326 HydrophobicContact CG1-CG 4.39Å; V290-P326 HydrophobicContact CG2-CB 3.68Å; V290-P326 HydrophobicContact CG2-CG 3.62Å; L308-P326 WeakPolarHBondContact CA-O 3.46Å; K309-P326 PolarHBondContact N-O 3.39Å
327	V	98.5	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.3	169.3	-175.9	0	0	0	0	108.5	L282 V290 L293 L297 V306 L308 G325 V329	L282-V327 HydrophobicContact CB-CB 4.26Å; L282-V327 HydrophobicContact CD1-CG1 4.37Å; L282-V327 PolarHBondContact N-O 2.71Å; L282-V327 PolarHBondContact O-N 3.25Å; V290-V327 HydrophobicContact CG1-CG2 3.78Å; L293-V327 HydrophobicContact CB-CG2 4.18Å; L297-V327 HydrophobicContact CD1-CG1 4.36Å; V306-V327 HydrophobicContact CG1-CG1 4.32Å; L308-V327 HydrophobicContact CD2-CG2 4.33Å; G325-V327 VanDerWaalsContact C-N 3.25Å; G325-V327 PolarHBondContact O-N 3.03Å; V327-V329 HydrophobicContact CG1-CG1 4.31Å
328	V	98.5	Very high	97	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.2	177.2	-178.4	0	0	0	0	108.6	I279 T281 Y307 L312 V324	I279-V328 HydrophobicContact CD1-CG1 4.1Å; I279-V328 HydrophobicContact CG1-CG1 4.25Å; T281-V328 HydrophobicContact CG2-CG2 4.25Å; Y307-V328 PolarHBondContact N-O 3.36Å; Y307-V328 PolarHBondContact O-N 3.48Å; L312-V328 HydrophobicContact CD1-CB 4.41Å; L312-V328 HydrophobicContact CD1-CG2 4.04Å; L312-V328 HydrophobicContact CD2-CB 4.26Å; L312-V328 HydrophobicContact CD2-CG1 4.31Å; V324-V328 HydrophobicContact CG1-CG2 3.5Å
329	V	98.3	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.8	172.8	-56.9	0	0	0	0	110.8	I279 W280 L282 L297 L304 N305 V306 V327 I337	I279-V329 CarbonylContact C-O 3.53Å; I279-V329 WeakPolarHBondContact CA-O 3.48Å; W280-V329 HydrophobicContact CB-CG2 3.7Å; W280-V329 HydrophobicContact CG-CG2 4.45Å; W280-V329 PolarHBondContact N-O 2.99Å; W280-V329 PolarHBondContact O-N 2.75Å; L282-V329 HydrophobicContact CD1-CG2 4.48Å; L297-V329 HydrophobicContact CD1-CG1 3.96Å; L304-V329 HydrophobicContact CD1-CB 4.07Å; L304-V329 HydrophobicContact CD1-CG2 4.46Å; L304-V329 HydrophobicContact CG-CB 4.46Å; N305-V329 CarbonylContact O-C 3.58Å; N305-V329 WeakPolarHBondContact O-CA 3.43Å; V306-V329 HydrophobicContact CB-CG1 4.16Å; V306-V329 HydrophobicContact CG1-CG1 3.92Å; V306-V329 HydrophobicContact CG2-CG1 3.81Å; V327-V329 HydrophobicContact CG1-CG1 4.31Å; V329-I337 HydrophobicContact CG2-CD1 4.12Å
330	Y	98.1	Very high	96.6	Very high	10 Å²	10	17.4 Å²	17.4	4%	0.039	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.5	175.4	63.3	-87.7	0	0	0	111.2	F73 E278 N305 Y307 F316	F73-Y330 HydrophobicContact CE2-CD2 4.48Å; F73-Y330 HydrophobicContact CE2-CG 4.4Å; F73-Y330 AromaticContact CZ-CD1 3.89Å; F73-Y330 HydrophobicContact CZ-CD1 3.89Å; F73-Y330 HydrophobicContact CZ-CE1 4.22Å; F73-Y330 HydrophobicContact CZ-CG 4.09Å; E278-Y330 CarbonylContact O-C 3.5Å; E278-Y330 VanDerWaalsContact O-CA 3.24Å; E278-Y330 WeakPolarHBondContact O-CA 3.26Å; N305-Y330 HydrophobicContact CB-CD1 3.9Å; N305-Y330 HydrophobicContact CB-CD2 3.82Å; N305-Y330 HydrophobicContact CB-CE1 3.58Å; N305-Y330 HydrophobicContact CB-CE2 3.48Å; N305-Y330 VanDerWaalsContact CB-CE2 3.48Å; N305-Y330 HydrophobicContact CB-CG 4.02Å; N305-Y330 WeakPolarHBondContact CB-O 3.37Å; N305-Y330 PolarHBondContact N-O 3.18Å; N305-Y330 WeakPolarHBondContact ND2-CE2 3.36Å; N305-Y330 PolarHBondContact ND2-O 3.14Å; N305-Y330 PolarHBondContact O-N 3.11Å; Y307-Y330 AromaticContact CD2-CE1 3.81Å; Y307-Y330 HydrophobicContact CD2-CE1 3.81Å; Y307-Y330 AromaticContact CE2-CE1 3.83Å; Y307-Y330 HydrophobicContact CE2-CE1 3.83Å; Y307-Y330 WeakPolarHBondContact CE2-OH 3.23Å; F316-Y330 HydrophobicContact CE2-CE1 4.14Å
331	A	98	Very high	96.2	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149.1	-180	0	0	0	0	0	111.5	E278 W335 I337 Y355	E278-A331 PolarHBondContact O-N 3.09Å; A331-W335 HydrophobicContact CB-CB 3.91Å; A331-W335 WeakPolarHBondContact CB-O 3.43Å; A331-I337 HydrophobicContact CB-CD1 4.37Å; A331-I337 HydrophobicContact CB-CG1 4.11Å; A331-Y355 HydrophobicContact CB-CE1 4.25Å
332	D	98	Very high	95.5	Very high	20 Å²	20	26.1 Å²	26.1	11%	0.107	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-59.2	155	158.9	-83.4	2.4	0	0	0	110.7	R303 N305 G334 W335 Y355	R303-D332 HydrophobicContact CB-CB 4.18Å; R303-D332 WeakPolarHBondContact CD-OD2 3.27Å; R303-D332 IonicContact CZ-OD2 3.37Å; R303-D332 IonicContact NE-OD2 2.67Å; R303-D332 IonicContact NH1-OD2 3.35Å; R303-D332 PolarHBondContact NH1-OD2 2.79Å; R303-D332 PolarHBondContact O-N 3.09Å; N305-D332 PolarHBondContact ND2-OD1 3.11Å; D332-G334 PolarHBondContact O-N 3.04Å; D332-W335 WeakPolarHBondContact O-CB 3.43Å; D332-W335 PolarHBondContact O-N 3.31Å; D332-Y355 WeakPolarHBondContact O-CE1 2.95Å
333	I	98	Very high	94.3	Very high	39 Å²	39	23.8 Å²	23.8	20%	0.2	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	132.2	-179.6	-170.4	167.4	0	0	0	112.7	T250 W335 Y355 Y359 E361	T250-I333 HydrophobicContact CG2-CD1 4.22Å; T250-I333 HydrophobicContact CG2-CG1 3.68Å; I333-W335 VanDerWaalsContact C-N 3.25Å; I333-W335 PolarHBondContact O-N 2.86Å; I333-Y355 HydrophobicContact CB-CG 4.43Å; I333-Y355 HydrophobicContact CG1-CD2 4.22Å; I333-Y355 HydrophobicContact CG1-CG 4.35Å; I333-Y359 HydrophobicContact CB-CD1 4.08Å; I333-Y359 HydrophobicContact CB-CD2 3.83Å; I333-Y359 HydrophobicContact CB-CE1 4.07Å; I333-Y359 HydrophobicContact CB-CE2 3.83Å; I333-Y359 HydrophobicContact CB-CG 3.98Å; I333-Y359 HydrophobicContact CD1-CD1 4.07Å; I333-Y359 HydrophobicContact CD1-CD2 4.3Å; I333-Y359 HydrophobicContact CD1-CG 3.77Å; I333-Y359 HydrophobicContact CG1-CG 4.42Å; I333-Y359 HydrophobicContact CG2-CD1 3.74Å; I333-Y359 HydrophobicContact CG2-CD2 4.33Å; I333-Y359 HydrophobicContact CG2-CE1 3.47Å; I333-Y359 VanDerWaalsContact CG2-CE1 3.47Å; I333-Y359 HydrophobicContact CG2-CE2 4.1Å; I333-Y359 HydrophobicContact CG2-CG 4.18Å; I333-E361 HydrophobicContact CD1-CB 3.71Å; I333-E361 HydrophobicContact CD1-CG 4.03Å
334	G	96.9	Very high	92.3	Very high	4 Å²	4	24 Å²	24	4%	0.041	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	5.2	178.5	0	0	0	0	0	115.1	R256 D332 Y355	R256-G334 PolarHBondContact NE-O 3.39Å; D332-G334 PolarHBondContact O-N 3.04Å; G334-Y355 PolarHBondContact N-OH 3.37Å
335	W	97	Very high	90.1	Very high	37 Å²	37	31.3 Å²	31.3	14%	0.14	17%	0.165	C	C	.	.			trans	-101.6	154.5	166.7	-70.8	74.4	0	0	0	110.9	R256 I258 H301 F302 R303 A331 D332 I333 Y355	R256-W335 HydrophobicContact CB-CD2 3.7Å; R256-W335 HydrophobicContact CB-CE3 3.97Å; R256-W335 HydrophobicContact CB-CG 4.02Å; R256-W335 HydrophobicContact CB-CZ2 4.29Å; R256-W335 HydrophobicContact CB-CZ3 4.39Å; R256-W335 HydrophobicContact CG-CD2 4.29Å; R256-W335 HydrophobicContact CG-CZ2 4.07Å; R256-W335 VanDerWaalsContact O-CA 3.27Å; R256-W335 WeakPolarHBondContact O-CA 3.35Å; I258-W335 HydrophobicContact CD1-CE3 4.21Å; I258-W335 HydrophobicContact CG1-CE3 3.76Å; I258-W335 HydrophobicContact CG1-CZ3 4.25Å; H301-W335 AromaticContact CE1-CE3 3.95Å; H301-W335 AromaticContact CE1-CH2 3.8Å; H301-W335 AromaticContact CE1-CZ3 3.45Å; H301-W335 VanDerWaalsContact CE1-CZ3 3.45Å; H301-W335 WeakPolarHBondContact CE1-CZ3 3.41Å; H301-W335 AromaticContact NE2-CZ3 3.79Å; F302-W335 HydrophobicContact CZ-CZ2 4.45Å; R303-W335 HydrophobicContact CB-CD2 3.86Å; R303-W335 HydrophobicContact CB-CE3 4.28Å; R303-W335 HydrophobicContact CB-CG 4.09Å; R303-W335 HydrophobicContact CB-CZ2 4.48Å; R303-W335 HydrophobicContact CG-CD2 3.95Å; R303-W335 HydrophobicContact CG-CE3 4.5Å; R303-W335 HydrophobicContact CG-CG 4.41Å; R303-W335 HydrophobicContact CG-CH2 4.28Å; R303-W335 HydrophobicContact CG-CZ2 3.71Å; A331-W335 HydrophobicContact CB-CB 3.91Å; A331-W335 WeakPolarHBondContact CB-O 3.43Å; D332-W335 WeakPolarHBondContact O-CB 3.43Å; D332-W335 PolarHBondContact O-N 3.31Å; I333-W335 VanDerWaalsContact C-N 3.25Å; I333-W335 PolarHBondContact O-N 2.86Å; W335-Y355 VanDerWaalsContact O-CE1 3.22Å; W335-Y355 WeakPolarHBondContact O-CE1 3.31Å; W335-Y355 PolarHBondContact O-OH 3.2Å
336	T	95.8	Very high	88.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.4	176.4	-63.4	0	0	0	0	110.3	R256 V257 I258 E278 I338 L347	R256-T336 PolarHBondContact O-N 3.25Å; R256-T336 VanDerWaalsContact O-N 3.08Å; V257-T336 WeakPolarHBondContact CA-O 3.5Å; I258-T336 PolarHBondContact N-O 3.2Å; E278-T336 WeakPolarHBondContact OE1-CG2 3.49Å; E278-T336 PolarHBondContact OE1-OG1 3.03Å; T336-I338 HydrophobicContact CG2-CG1 4.11Å; T336-L347 HydrophobicContact CG2-CD2 4.11Å
337	I	95.5	Very high	86.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.3	172.7	-55	163.3	0	0	0	108	I258 L260 S276 A277 W280 L304 V329 A331	I258-I337 WeakPolarHBondContact O-CA 3.36Å; L260-I337 HydrophobicContact CB-CG2 4.11Å; S276-I337 VanDerWaalsContact CA-O 3.28Å; S276-I337 WeakPolarHBondContact CA-O 3.38Å; A277-I337 PolarHBondContact N-O 2.88Å; A277-I337 VanDerWaalsContact O-CB 3.31Å; A277-I337 WeakPolarHBondContact O-CB 3.26Å; A277-I337 PolarHBondContact O-N 3.47Å; A277-I337 VanDerWaalsContact O-N 3.12Å; A277-I337 VanDerWaalsContact O-O 3.1Å; W280-I337 HydrophobicContact CG-CG2 4.46Å; W280-I337 PolarHBondContact NE1-O 3.02Å; L304-I337 HydrophobicContact CD1-CD1 3.48Å; L304-I337 VanDerWaalsContact CD1-CD1 3.48Å; L304-I337 HydrophobicContact CD1-CG1 3.85Å; V329-I337 HydrophobicContact CG2-CD1 4.12Å; A331-I337 HydrophobicContact CB-CD1 4.37Å; A331-I337 HydrophobicContact CB-CG1 4.11Å
338	I	94	Very high	86	Confident	3 Å²	3	45 Å²	45	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.5	177.7	-57	-179.2	0	0	0	107.9	V257 I258 Y259 L260 K275 T336 D340 L347	V257-I338 HydrophobicContact CB-CD1 4.02Å; V257-I338 HydrophobicContact CG1-CD1 3.72Å; I258-I338 PolarHBondContact O-N 2.94Å; Y259-I338 CarbonylContact C-O 3.53Å; Y259-I338 WeakPolarHBondContact CA-O 3.31Å; Y259-I338 HydrophobicContact CD1-CB 4.07Å; Y259-I338 HydrophobicContact CD1-CG2 4.21Å; Y259-I338 HydrophobicContact CE1-CB 4.2Å; Y259-I338 HydrophobicContact CE1-CD1 4.38Å; Y259-I338 HydrophobicContact CE1-CG2 4.19Å; L260-I338 PolarHBondContact N-O 3.12Å; K275-I338 CarbonylContact O-C 3.56Å; K275-I338 WeakPolarHBondContact O-CA 3.33Å; T336-I338 HydrophobicContact CG2-CG1 4.11Å; I338-D340 WeakPolarHBondContact CG2-O 3.45Å; I338-L347 HydrophobicContact CD1-CD1 4.46Å; I338-L347 HydrophobicContact CD1-CD2 3.98Å; I338-L347 HydrophobicContact CD1-CG 4.14Å
339	A	93.2	Very high	85.6	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.017	25%	0.249	C	C	.	.	S	Bend	trans	-54.9	-57.5	178.1	0	0	0	0	0	111.3	L260 H261 K275 W280	L260-A339 PolarHBondContact N-O 2.96Å; H261-A339 WeakPolarHBondContact CB-O 3.39Å; H261-A339 PolarHBondContact CD2-O 3.21Å; H261-A339 PolarHBondContact N-O 3.46Å; K275-A339 PolarHBondContact O-N 3.23Å; W280-A339 HydrophobicContact CH2-CB 4.03Å
340	D	90.1	Very high	85.5	Confident	31 Å²	31	53.9 Å²	53.9	17%	0.166	27%	0.274	C	S	.	.			trans	-150	169.3	-173.2	68.4	79.4	0	0	0	112.7	Y259 H261 I338 T342 S343 G344	Y259-D340 VanDerWaalsContact CD1-C 3.48Å; H261-D340 HydrophobicContact CB-CB 4.17Å; I338-D340 WeakPolarHBondContact CG2-O 3.45Å; D340-T342 VanDerWaalsContact C-N 3.3Å; D340-T342 PolarHBondContact O-N 2.99Å; D340-T342 WeakPolarHBondContact OD1-CA 3.47Å; D340-T342 VanDerWaalsContact OD1-CB 3.28Å; D340-T342 WeakPolarHBondContact OD1-CB 3.48Å; D340-T342 PolarHBondContact OD1-N 2.69Å; D340-T342 PolarHBondContact OD1-OG1 3.05Å; D340-S343 WeakPolarHBondContact O-CB 3.27Å; D340-S343 PolarHBondContact O-N 3.4Å; D340-S343 PolarHBondContact OD1-N 2.75Å; D340-S343 PolarHBondContact OD1-OG 2.87Å; D340-S343 PolarHBondContact OD2-OG 3.31Å; D340-G344 PolarHBondContact O-N 2.93Å
341	R	87.5	Confident	85.4	Confident	147 Å²	147	53.4 Å²	53.4	56%	0.555	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-25	-177.4	-66.6	175.5	178.7	-90.2	-1.3	113.9	Y259 D262 G344	Y259-R341 HydrophobicContact CD1-CG 3.9Å; Y259-R341 HydrophobicContact CD2-CG 3.87Å; Y259-R341 HydrophobicContact CE1-CB 4.38Å; Y259-R341 HydrophobicContact CE1-CG 3.96Å; Y259-R341 HydrophobicContact CE2-CG 3.93Å; Y259-R341 HydrophobicContact CG-CG 3.84Å; D262-R341 IonicContact OD1-NE 3.33Å; D262-R341 PolarHBondContact OD1-NE 3.29Å; D262-R341 IonicContact OD2-CZ 3.34Å; D262-R341 IonicContact OD2-NE 3.26Å; D262-R341 PolarHBondContact OD2-NE 3.06Å; D262-R341 IonicContact OD2-NH2 3.11Å; D262-R341 PolarHBondContact OD2-NH2 2.93Å; R341-G344 PolarHBondContact O-N 2.97Å
342	T	80.7	Confident	85.4	Confident	127 Å²	127	53.5 Å²	53.5	78%	0.779	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-28.1	175.6	72.7	0	0	0	0	112.1	D340 G344	D340-T342 VanDerWaalsContact C-N 3.3Å; D340-T342 PolarHBondContact O-N 2.99Å; D340-T342 WeakPolarHBondContact OD1-CA 3.47Å; D340-T342 VanDerWaalsContact OD1-CB 3.28Å; D340-T342 WeakPolarHBondContact OD1-CB 3.48Å; D340-T342 PolarHBondContact OD1-N 2.69Å; D340-T342 PolarHBondContact OD1-OG1 3.05Å; T342-G344 VanDerWaalsContact C-N 3.26Å; T342-G344 PolarHBondContact O-N 3.09Å
343	S	70.2	Confident	85.4	Confident	47 Å²	47	52.9 Å²	52.9	33%	0.329	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-71.5	-19.1	170.4	-68.3	0	0	0	0	112.9	D340	D340-S343 WeakPolarHBondContact O-CB 3.27Å; D340-S343 PolarHBondContact O-N 3.4Å; D340-S343 PolarHBondContact OD1-N 2.75Å; D340-S343 PolarHBondContact OD1-OG 2.87Å; D340-S343 PolarHBondContact OD2-OG 3.31Å
344	G	57.1	Low	85.4	Confident	12 Å²	12	51 Å²	51	12%	0.124	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-93.9	2.1	-163.9	0	0	0	0	0	118.8	D340 R341 T342 T346	D340-G344 PolarHBondContact O-N 2.93Å; R341-G344 PolarHBondContact O-N 2.97Å; T342-G344 VanDerWaalsContact C-N 3.26Å; T342-G344 PolarHBondContact O-N 3.09Å; G344-T346 VanDerWaalsContact C-N 3.31Å; G344-T346 PolarHBondContact O-N 3.29Å
345	I	51.1	Low	85.4	Confident	154 Å²	154	50.9 Å²	50.9	79%	0.79	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-80.6	-6.9	-176.7	-65.7	178.1	0	0	0	113.3
346	T	56.8	Low	85.5	Confident	97 Å²	97	49.8 Å²	49.8	60%	0.595	26%	0.255	S	S	*	.			trans	-140.2	77.8	172.5	48.3	0	0	0	0	111.7	G344 K348	G344-T346 VanDerWaalsContact C-N 3.31Å; G344-T346 PolarHBondContact O-N 3.29Å; T346-K348 PolarHBondContact O-N 3.02Å
347	L	70.6	Confident	85.6	Confident	44 Å²	44	50.4 Å²	50.4	23%	0.23	26%	0.259	C	S	.	.			trans	-61.7	88.4	149.9	-76.4	178.4	0	0	0	106.7	I252 V257 T336 I338 N349	I252-L347 HydrophobicContact CD1-CD2 4.39Å; V257-L347 HydrophobicContact CG1-CD1 3.65Å; T336-L347 HydrophobicContact CG2-CD2 4.11Å; I338-L347 HydrophobicContact CD1-CD1 4.46Å; I338-L347 HydrophobicContact CD1-CD2 3.98Å; I338-L347 HydrophobicContact CD1-CG 4.14Å; L347-N349 PolarHBondContact O-N 3.29Å
348	K	81	Confident	85.6	Confident	168 Å²	168	55.6 Å²	55.6	73%	0.73	29%	0.287	S	S	*	.			trans	-65.1	-30.4	177.3	-67.2	-171.6	178.4	-175.2	0	110.6	T346	T346-K348 PolarHBondContact O-N 3.02Å
349	N	90	Very high	85.8	Confident	68 Å²	68	59 Å²	59	36%	0.364	30%	0.3	S	S	.	.			trans	-83.7	136.5	179.1	-67.4	8.6	0	0	0	110.3	H202 I252 L347	H202-N349 PolarHBondContact ND1-ND2 3.23Å; H202-N349 CarbonylContact O-C 3.39Å; H202-N349 WeakPolarHBondContact O-CA 3.43Å; H202-N349 WeakPolarHBondContact O-CB 3.4Å; I252-N349 HydrophobicContact CD1-CB 4.22Å; I252-N349 WeakPolarHBondContact CD1-O 3.47Å; L347-N349 PolarHBondContact O-N 3.29Å
350	K	95.4	Very high	86	Confident	120 Å²	120	64.4 Å²	64.4	52%	0.522	32%	0.323	S	S	.	.	S	Bend	trans	-100.1	-19	172.3	-64.3	-176.8	-177.1	177	0	112.3	H202 H204 N251 I252	H202-K350 PolarHBondContact O-N 2.88Å; H204-K350 WeakPolarHBondContact O-CD 3.5Å; N251-K350 CarbonylContact C-O 3.52Å; N251-K350 VanDerWaalsContact CA-O 3.31Å; N251-K350 WeakPolarHBondContact CA-O 3.39Å; I252-K350 PolarHBondContact N-O 3.38Å
351	G	97.2	Very high	86.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150.5	171.4	0	0	0	0	0	112.2	G201 H202 T250	G201-G351 WeakPolarHBondContact O-CA 3.34Å; G201-G351 PolarHBondContact O-N 3.06Å; H202-G351 PolarHBondContact ND1-O 3.48Å; H202-G351 PolarHBondContact O-N 3.33Å; T250-G351 CarbonylContact O-C 3.59Å; T250-G351 WeakPolarHBondContact O-CA 3.24Å
352	A	97	Very high	86.8	Confident	2 Å²	2	59.3 Å²	59.3	2%	0.017	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	168.9	169.6	0	0	0	0	0	112.7	M249 T250 I252 E278 Y355	M249-A352 VanDerWaalsContact SD-CA 3.5Å; M249-A352 PolarHBondContact SD-N 2.83Å; T250-A352 PolarHBondContact N-O 2.98Å; T250-A352 PolarHBondContact O-N 3.41Å; I252-A352 HydrophobicContact CD1-CB 4.07Å; I252-A352 HydrophobicContact CG1-CB 4.37Å; I252-A352 HydrophobicContact CG2-CB 3.62Å; E278-A352 HydrophobicContact CG-CB 4.24Å; A352-Y355 HydrophobicContact CB-CE2 4.37Å
353	H	98	Very high	87.7	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.032	27%	0.268	C	S	.	.			trans	-146	-177.9	177.8	60.8	95.1	0	0	0	108.8	T75 D198 H202 H247 G248 E278 M362	T75-H353 PolarHBondContact O-ND1 3.09Å; T75-H353 VanDerWaalsContact O-ND1 3.12Å; D198-H353 IonicContact OD1-CD2 3.8Å; D198-H353 IonicContact OD1-NE2 3.24Å; H202-H353 AromaticContact CE1-CD2 3.49Å; H202-H353 PolarHBondContact CE1-CD2 3.19Å; H202-H353 VanDerWaalsContact CE1-CD2 3.49Å; H202-H353 AromaticContact CE1-NE2 3.52Å; H202-H353 AromaticContact NE2-CD2 3.69Å; H202-H353 AromaticContact NE2-NE2 3.29Å; H202-H353 PolarHBondContact NE2-NE2 2.8Å; H247-H353 AromaticContact CD2-CE1 4Å; H247-H353 AromaticContact CD2-ND1 3.58Å; H247-H353 AromaticContact CE1-CD2 3.55Å; H247-H353 AromaticContact CE1-CE1 3.32Å; H247-H353 PolarHBondContact CE1-CE1 3.4Å; H247-H353 AromaticContact CE1-CG 3.32Å; H247-H353 AromaticContact CE1-ND1 3.18Å; H247-H353 PolarHBondContact CE1-ND1 3Å; H247-H353 AromaticContact CE1-NE2 3.61Å; H247-H353 AromaticContact CG-ND1 3.83Å; H247-H353 AromaticContact ND1-CG 3.51Å; H247-H353 AromaticContact ND1-ND1 3.58Å; H247-H353 AromaticContact NE2-CE1 3.11Å; H247-H353 PolarHBondContact NE2-CE1 3.05Å; H247-H353 AromaticContact NE2-CG 3.76Å; H247-H353 AromaticContact NE2-ND1 3.09Å; H247-H353 PolarHBondContact NE2-ND1 3.46Å; H247-H353 AromaticContact NE2-NE2 3.82Å; G248-H353 WeakPolarHBondContact O-CB 3.49Å; E278-H353 WeakPolarHBondContact CG-O 3.42Å; H353-M362 HydrophobicContact CB-CE 4.36Å; H353-M362 HydrophobicContact CB-SD 3.92Å
354	G	97.9	Very high	89	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.			trans	99.7	14.3	-173.4	0	0	0	0	0	114.4	T75	T75-G354 WeakPolarHBondContact O-CA 3.09Å; T75-G354 PolarHBondContact O-N 3.5Å; T75-G354 WeakPolarHBondContact OG1-CA 3.34Å; T75-G354 PolarHBondContact OG1-N 3.31Å; T75-G354 VanDerWaalsContact OG1-N 3.16Å
355	Y	98.4	Very high	90.9	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	25%	0.246	C	C	.	.	S	Bend	trans	-84.4	-174.8	179.3	-57.2	-74.3	0	0	0	111.8	T75 T250 I252 E278 A331 D332 I333 G334 W335 A352 M362	T75-Y355 WeakPolarHBondContact CG2-O 3.41Å; T75-Y355 PolarHBondContact OG1-N 3.47Å; T75-Y355 PolarHBondContact OG1-O 3.4Å; T250-Y355 HydrophobicContact CG2-CD2 3.9Å; T250-Y355 HydrophobicContact CG2-CE2 3.36Å; I252-Y355 VanDerWaalsContact CG2-OH 3.23Å; I252-Y355 WeakPolarHBondContact CG2-OH 3.18Å; E278-Y355 HydrophobicContact CB-CD1 4.22Å; E278-Y355 HydrophobicContact CB-CE1 3.91Å; E278-Y355 HydrophobicContact CG-CD1 4.17Å; E278-Y355 HydrophobicContact CG-CE1 3.44Å; E278-Y355 VanDerWaalsContact CG-CE1 3.44Å; E278-Y355 HydrophobicContact CG-CE2 3.94Å; E278-Y355 WeakPolarHBondContact CG-OH 3.38Å; A331-Y355 HydrophobicContact CB-CE1 4.25Å; D332-Y355 WeakPolarHBondContact O-CE1 2.95Å; I333-Y355 HydrophobicContact CB-CG 4.43Å; I333-Y355 HydrophobicContact CG1-CD2 4.22Å; I333-Y355 HydrophobicContact CG1-CG 4.35Å; G334-Y355 PolarHBondContact N-OH 3.37Å; W335-Y355 VanDerWaalsContact O-CE1 3.22Å; W335-Y355 WeakPolarHBondContact O-CE1 3.31Å; W335-Y355 PolarHBondContact O-OH 3.2Å; A352-Y355 HydrophobicContact CB-CE2 4.37Å; Y355-M362 HydrophobicContact CD2-CE 3.95Å; Y355-M362 HydrophobicContact CD2-CG 4.48Å; Y355-M362 HydrophobicContact CD2-SD 3.68Å; Y355-M362 HydrophobicContact CG-SD 4.37Å
356	D	98.1	Very high	93.1	Very high	14 Å²	14	43.2 Å²	43.2	8%	0.075	21%	0.209	C	C	.	.			trans	-59.8	129.7	174	-166.3	-41	0	0	0	111.6	R315 F316 D358 Y359	R315-D356 IonicContact CZ-OD1 3.58Å; R315-D356 IonicContact CZ-OD2 3.97Å; R315-D356 IonicContact NH1-OD1 3.5Å; R315-D356 PolarHBondContact NH1-OD1 2.97Å; R315-D356 IonicContact NH1-OD2 3.64Å; R315-D356 PolarHBondContact NH1-OD2 2.98Å; R315-D356 IonicContact NH2-OD1 3.97Å; R315-D356 PolarHBondContact NH2-OD1 3.21Å; R315-D356 IonicContact NH2-OD2 3Å; R315-D356 PolarHBondContact NH2-OD2 2.84Å; F316-D356 WeakPolarHBondContact CE1-OD2 3.37Å; F316-D356 WeakPolarHBondContact CZ-OD2 3.49Å; D356-D358 PolarHBondContact O-N 3.29Å; D356-D358 WeakPolarHBondContact OD1-CB 2.98Å; D356-D358 PolarHBondContact OD1-N 3.03Å; D356-Y359 HydrophobicContact CB-CD2 3.66Å; D356-Y359 HydrophobicContact CB-CE2 3.68Å; D356-Y359 WeakPolarHBondContact O-CD2 3.39Å; D356-Y359 PolarHBondContact O-N 3.08Å
357	P	97.5	Very high	95	Very high	15 Å²	15	38.6 Å²	38.6	10%	0.097	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.9	179.7	27.4	-37.7	0	0	0	114.5	N71 F73 T75 Y359	N71-P357 HydrophobicContact CB-CB 3.98Å; N71-P357 WeakPolarHBondContact O-CB 3.29Å; F73-P357 HydrophobicContact CB-CG 4.24Å; T75-P357 HydrophobicContact CG2-CB 3.84Å; P357-Y359 PolarHBondContact O-N 3.3Å
358	D	96.3	Very high	96.3	Very high	108 Å²	108	36.6 Å²	36.6	58%	0.578	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.8	176.2	-75.3	3.8	0	0	0	112.2	R315 D356 K360	R315-D358 IonicContact CZ-OD2 3.48Å; R315-D358 IonicContact NE-OD2 2.77Å; R315-D358 IonicContact NH1-OD1 3.39Å; R315-D358 PolarHBondContact NH1-OD1 3.49Å; R315-D358 VanDerWaalsContact NH1-OD1 3.17Å; R315-D358 IonicContact NH1-OD2 3.5Å; R315-D358 PolarHBondContact NH1-OD2 3.5Å; R315-D358 IonicContact NH2-OD2 3.58Å; D356-D358 PolarHBondContact O-N 3.29Å; D356-D358 WeakPolarHBondContact OD1-CB 2.98Å; D356-D358 PolarHBondContact OD1-N 3.03Å; D358-K360 PolarHBondContact O-N 3.24Å
359	Y	97.6	Very high	97	Very high	74 Å²	74	30 Å²	30	29%	0.29	14%	0.142	S	C	.	.	S	Bend	trans	-70	123.8	172.2	-66.9	-67.5	0	0	0	110.2	I333 D356 P357 E361 M362	I333-Y359 HydrophobicContact CB-CD1 4.08Å; I333-Y359 HydrophobicContact CB-CD2 3.83Å; I333-Y359 HydrophobicContact CB-CE1 4.07Å; I333-Y359 HydrophobicContact CB-CE2 3.83Å; I333-Y359 HydrophobicContact CB-CG 3.98Å; I333-Y359 HydrophobicContact CD1-CD1 4.07Å; I333-Y359 HydrophobicContact CD1-CD2 4.3Å; I333-Y359 HydrophobicContact CD1-CG 3.77Å; I333-Y359 HydrophobicContact CG1-CG 4.42Å; I333-Y359 HydrophobicContact CG2-CD1 3.74Å; I333-Y359 HydrophobicContact CG2-CD2 4.33Å; I333-Y359 HydrophobicContact CG2-CE1 3.47Å; I333-Y359 VanDerWaalsContact CG2-CE1 3.47Å; I333-Y359 HydrophobicContact CG2-CE2 4.1Å; I333-Y359 HydrophobicContact CG2-CG 4.18Å; D356-Y359 HydrophobicContact CB-CD2 3.66Å; D356-Y359 HydrophobicContact CB-CE2 3.68Å; D356-Y359 WeakPolarHBondContact O-CD2 3.39Å; D356-Y359 PolarHBondContact O-N 3.08Å; P357-Y359 PolarHBondContact O-N 3.3Å; Y359-E361 PolarHBondContact O-N 3Å; Y359-E361 VanDerWaalsContact O-N 3.15Å; Y359-M362 PolarHBondContact O-N 3.05Å
360	K	96.9	Very high	97.2	Very high	116 Å²	116	27.7 Å²	27.7	50%	0.504	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-58.1	-33.2	-179.1	-65.2	-178.9	-178.3	177.7	0	111.8	Y40 D358 M362 S363	Y40-K360 WeakPolarHBondContact CD1-O 3.37Å; Y40-K360 HydrophobicContact CE1-CB 3.99Å; Y40-K360 WeakPolarHBondContact CE1-O 3.36Å; D358-K360 PolarHBondContact O-N 3.24Å; K360-M362 PolarHBondContact O-N 3.25Å; K360-S363 VanDerWaalsContact O-CB 3.32Å; K360-S363 WeakPolarHBondContact O-CB 3.23Å; K360-S363 PolarHBondContact O-N 3.3Å; K360-S363 PolarHBondContact O-OG 2.87Å
361	E	97.9	Very high	97.1	Very high	72 Å²	72	25.1 Å²	25.1	34%	0.336	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-61.6	-20.1	178	-65	82	174	0	0	113.2	R39 G248 M249 I333 Y359	R39-E361 WeakPolarHBondContact CD-O 3.2Å; R39-E361 WeakPolarHBondContact CG-O 3.26Å; G248-E361 CarbonylContact C-O 3.59Å; G248-E361 WeakPolarHBondContact CA-O 2.8Å; M249-E361 PolarHBondContact N-O 2.78Å; I333-E361 HydrophobicContact CD1-CB 3.71Å; I333-E361 HydrophobicContact CD1-CG 4.03Å; Y359-E361 PolarHBondContact O-N 3Å; Y359-E361 VanDerWaalsContact O-N 3.15Å
362	M	98.3	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-95.3	-1.6	175.9	-63.6	-62	98.6	0	0	113.5	N71 T75 G248 T250 H353 Y355 Y359 K360	N71-M362 PolarHBondContact ND2-O 3.34Å; T75-M362 HydrophobicContact CG2-CB 3.84Å; T75-M362 HydrophobicContact CG2-CG 4.34Å; T75-M362 PolarHBondContact OG1-SD 2.9Å; G248-M362 PolarHBondContact N-O 3.21Å; G248-M362 VanDerWaalsContact N-O 3.12Å; T250-M362 HydrophobicContact CG2-CE 4.12Å; H353-M362 HydrophobicContact CB-CE 4.36Å; H353-M362 HydrophobicContact CB-SD 3.92Å; Y355-M362 HydrophobicContact CD2-CE 3.95Å; Y355-M362 HydrophobicContact CD2-CG 4.48Å; Y355-M362 HydrophobicContact CD2-SD 3.68Å; Y355-M362 HydrophobicContact CG-SD 4.37Å; Y359-M362 PolarHBondContact O-N 3.05Å; K360-M362 PolarHBondContact O-N 3.25Å
363	S	97.7	Very high	96.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	14%	0.138	C	C	.	.			trans	-80.5	133.6	-174	-52.8	0	0	0	0	111.8	Y40 R68 K360	Y40-S363 WeakPolarHBondContact CB-O 3.37Å; Y40-S363 PolarHBondContact N-O 3.3Å; R68-S363 WeakPolarHBondContact CD-OG 3.27Å; K360-S363 VanDerWaalsContact O-CB 3.32Å; K360-S363 WeakPolarHBondContact O-CB 3.23Å; K360-S363 PolarHBondContact O-N 3.3Å; K360-S363 PolarHBondContact O-OG 2.87Å
364	P	97.8	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.			trans	-81.9	174	169	27.5	-22.9	0	0	0	111.5	R68 I69 N71 S245 L387	R68-P364 WeakPolarHBondContact CA-O 2.99Å; I69-P364 HydrophobicContact CD1-CG 4.06Å; I69-P364 HydrophobicContact CG1-CB 4.29Å; I69-P364 HydrophobicContact CG1-CG 3.64Å; I69-P364 PolarHBondContact N-O 3.2Å; N71-P364 HydrophobicContact CB-CG 4.32Å; S245-P364 VanDerWaalsContact O-CB 3.27Å; S245-P364 WeakPolarHBondContact O-CB 3.41Å; S245-P364 VanDerWaalsContact OG-CA 3.23Å; S245-P364 WeakPolarHBondContact OG-CA 3.38Å; S245-P364 WeakPolarHBondContact OG-CB 3.49Å; P364-L387 HydrophobicContact CG-CD1 4.08Å
365	F	97.2	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.			trans	-113.7	167.5	171.4	74.5	-85.8	0	0	0	110.2	L35 F38 F43 Y65 I243 T244 M367	L35-F365 HydrophobicContact CD1-CZ 4.22Å; F38-F365 HydrophobicContact CB-CE1 3.91Å; F38-F365 AromaticContact CD1-CD1 3.83Å; F38-F365 HydrophobicContact CD1-CD1 3.83Å; F38-F365 AromaticContact CD1-CE1 3.46Å; F38-F365 HydrophobicContact CD1-CE1 3.46Å; F38-F365 VanDerWaalsContact CD1-CE1 3.46Å; F38-F365 HydrophobicContact CD1-CZ 4.46Å; F38-F365 HydrophobicContact CD2-CE1 4.46Å; F38-F365 HydrophobicContact CE1-CD1 4.44Å; F38-F365 HydrophobicContact CE1-CE1 4.09Å; F38-F365 HydrophobicContact CG-CD1 4.43Å; F38-F365 AromaticContact CG-CE1 3.7Å; F38-F365 HydrophobicContact CG-CE1 3.7Å; F43-F365 HydrophobicContact CE2-CB 4.37Å; F43-F365 AromaticContact CE2-CD1 3.79Å; F43-F365 HydrophobicContact CE2-CD1 3.79Å; F43-F365 AromaticContact CE2-CD2 3.91Å; F43-F365 HydrophobicContact CE2-CD2 3.91Å; F43-F365 HydrophobicContact CE2-CE1 4.01Å; F43-F365 HydrophobicContact CE2-CE2 4.18Å; F43-F365 AromaticContact CE2-CG 3.73Å; F43-F365 HydrophobicContact CE2-CG 3.73Å; F43-F365 HydrophobicContact CE2-CZ 4.21Å; F43-F365 HydrophobicContact CZ-CD1 4.42Å; F43-F365 HydrophobicContact CZ-CD2 4.19Å; F43-F365 HydrophobicContact CZ-CE1 4.22Å; F43-F365 HydrophobicContact CZ-CE2 4.04Å; F43-F365 HydrophobicContact CZ-CG 4.4Å; F43-F365 HydrophobicContact CZ-CZ 4.03Å; Y65-F365 HydrophobicContact CE2-CB 4.21Å; Y65-F365 HydrophobicContact CE2-CD2 4.21Å; I243-F365 HydrophobicContact CG2-CE2 4.11Å; I243-F365 HydrophobicContact CG2-CZ 3.91Å; I243-F365 WeakPolarHBondContact O-CE2 3.44Å; T244-F365 WeakPolarHBondContact CA-O 3.22Å; T244-F365 PolarHBondContact OG1-O 2.94Å; F365-M367 HydrophobicContact CD2-CE 3.72Å; F365-M367 HydrophobicContact CE2-CE 3.22Å; F365-M367 HydrophobicContact CE2-CG 3.99Å; F365-M367 HydrophobicContact CE2-SD 4.32Å; F365-M367 HydrophobicContact CZ-CE 4Å
366	L	97.5	Very high	94.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.9	168.1	-179.9	67.3	0	0	0	109.6	Y65 I66 I69 I242 I385 I390 L415	Y65-L366 CarbonylContact C-O 3.37Å; Y65-L366 WeakPolarHBondContact CA-O 3.36Å; I66-L366 HydrophobicContact CB-CB 4.32Å; I66-L366 PolarHBondContact N-O 3.23Å; I66-L366 PolarHBondContact O-N 3.21Å; I69-L366 HydrophobicContact CD1-CB 4.33Å; I69-L366 HydrophobicContact CG2-CB 3.82Å; I242-L366 HydrophobicContact CG2-CD1 3.57Å; L366-I385 HydrophobicContact CD2-CG2 4.13Å; L366-I390 HydrophobicContact CD1-CD1 3.96Å; L366-I390 HydrophobicContact CD1-CG1 4.16Å; L366-L415 HydrophobicContact CD2-CD1 3.97Å
367	M	96.6	Very high	93.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.9	163.5	69.4	-176.6	75	0	0	110.6	F43 F56 I59 I60 V64 Y65 I243 F365	F43-M367 HydrophobicContact CE1-CE 3.64Å; F43-M367 HydrophobicContact CE2-CE 4.07Å; F43-M367 HydrophobicContact CZ-CE 3.19Å; F56-M367 HydrophobicContact CD1-CE 3.61Å; F56-M367 HydrophobicContact CD1-SD 3.97Å; F56-M367 HydrophobicContact CE1-CE 4.14Å; I59-M367 HydrophobicContact CB-SD 4.04Å; I59-M367 HydrophobicContact CD1-SD 4.33Å; I59-M367 HydrophobicContact CG2-CB 4.3Å; I59-M367 HydrophobicContact CG2-CG 3.85Å; I59-M367 HydrophobicContact CG2-SD 3.62Å; I60-M367 HydrophobicContact CG1-SD 4.47Å; V64-M367 CarbonylContact O-C 3.52Å; V64-M367 WeakPolarHBondContact O-CA 3.32Å; V64-M367 WeakPolarHBondContact O-CB 3.17Å; Y65-M367 HydrophobicContact CD2-CB 4.13Å; Y65-M367 HydrophobicContact CD2-CE 4.43Å; I243-M367 HydrophobicContact CB-CG 3.75Å; I243-M367 HydrophobicContact CB-SD 4.37Å; I243-M367 HydrophobicContact CD1-CG 4.41Å; I243-M367 HydrophobicContact CD1-SD 4.25Å; I243-M367 PolarHBondContact N-O 3.28Å; I243-M367 PolarHBondContact O-N 2.89Å; I243-M367 VanDerWaalsContact O-O 3.13Å; F365-M367 HydrophobicContact CD2-CE 3.72Å; F365-M367 HydrophobicContact CE2-CE 3.22Å; F365-M367 HydrophobicContact CE2-CG 3.99Å; F365-M367 HydrophobicContact CE2-SD 4.32Å; F365-M367 HydrophobicContact CZ-CE 4Å
368	A	97.4	Very high	92.3	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.9	174.4	0	0	0	0	0	111.2	G63 V64 L241 I242 I373	G63-A368 CarbonylContact C-O 3.57Å; G63-A368 WeakPolarHBondContact CA-O 3.24Å; V64-A368 HydrophobicContact CG2-CB 3.94Å; V64-A368 PolarHBondContact N-O 3.35Å; V64-A368 PolarHBondContact O-N 2.95Å; L241-A368 CarbonylContact O-C 3.4Å; L241-A368 WeakPolarHBondContact O-CA 3.48Å; L241-A368 WeakPolarHBondContact O-CB 3.39Å; I242-A368 HydrophobicContact CG1-CB 4.12Å; A368-I373 HydrophobicContact CB-CD1 3.56Å; A368-I373 HydrophobicContact CB-CG1 4.02Å; A368-I373 HydrophobicContact CB-CG2 4.48Å
369	M	96	Very high	90.6	Very high	29 Å²	29	45.3 Å²	45.3	14%	0.143	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.3	171.5	64.7	171.8	-77.2	0	0	110	I59 Q62 L226 N240 L241	I59-M369 HydrophobicContact CB-SD 4.12Å; I59-M369 HydrophobicContact CG1-CG 4.47Å; I59-M369 HydrophobicContact CG1-SD 3.67Å; I59-M369 HydrophobicContact CG2-CB 4.22Å; I59-M369 HydrophobicContact CG2-CG 4.01Å; I59-M369 HydrophobicContact CG2-SD 4.18Å; Q62-M369 HydrophobicContact CB-CE 4.41Å; L226-M369 HydrophobicContact CD2-CE 4.23Å; L226-M369 HydrophobicContact CD2-SD 3.63Å; N240-M369 WeakPolarHBondContact CA-O 3.39Å; L241-M369 HydrophobicContact CB-CG 4.08Å; L241-M369 HydrophobicContact CD2-CG 4.39Å; L241-M369 PolarHBondContact N-O 2.93Å; L241-M369 PolarHBondContact O-N 3.5Å
370	G	94.9	Very high	88.8	Confident	19 Å²	19	50 Å²	50	20%	0.196	27%	0.266	C	S	.	.	S	Bend	trans	144.3	177.8	178.8	0	0	0	0	0	113	Q372 I373	G370-Q372 VanDerWaalsContact C-N 3.3Å; G370-Q372 PolarHBondContact O-N 2.79Å; G370-I373 PolarHBondContact O-N 2.94Å
371	P	93	Very high	87.5	Confident	67 Å²	67	46.7 Å²	46.7	44%	0.435	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.1	-175	24.2	-31.7	0	0	0	113.7	L239 N240	L239-P371 WeakPolarHBondContact O-CD 3.16Å; N240-P371 WeakPolarHBondContact OD1-CD 3.27Å
372	Q	94.2	Very high	85.7	Confident	33 Å²	33	53.3 Å²	53.3	15%	0.154	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-12.9	176.9	-67.5	173.7	-85.8	0	0	113	S28 N240 G370 M397 L416 S417 S420	S28-Q372 VanDerWaalsContact CB-OE1 3.29Å; S28-Q372 PolarHBondContact OG-OE1 2.54Å; N240-Q372 PolarHBondContact ND2-OE1 2.7Å; N240-Q372 WeakPolarHBondContact OD1-CB 3.26Å; N240-Q372 PolarHBondContact OD1-N 3.01Å; G370-Q372 VanDerWaalsContact C-N 3.3Å; G370-Q372 PolarHBondContact O-N 2.79Å; Q372-M397 PolarHBondContact NE2-O 2.98Å; Q372-M397 VanDerWaalsContact NE2-O 3.14Å; Q372-M397 PolarHBondContact OE1-O 3.27Å; Q372-L416 HydrophobicContact CB-CD2 4.15Å; Q372-L416 CarbonylContact O-C 3.47Å; Q372-L416 VanDerWaalsContact O-CA 3.32Å; Q372-L416 WeakPolarHBondContact O-CA 3.16Å; Q372-L416 WeakPolarHBondContact O-CD2 3.27Å; Q372-S417 PolarHBondContact O-N 3.46Å; Q372-S417 PolarHBondContact O-OG 2.96Å; Q372-S420 PolarHBondContact NE2-OG 2.98Å
373	I	94.7	Very high	84.7	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.015	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-77.6	142.1	-179	-60.6	-64.6	0	0	0	111.1	V64 A368 G370 K375 M397 L416	V64-I373 HydrophobicContact CB-CG2 4.33Å; V64-I373 HydrophobicContact CG1-CG2 3.87Å; V64-I373 HydrophobicContact CG2-CG2 3.84Å; A368-I373 HydrophobicContact CB-CD1 3.56Å; A368-I373 HydrophobicContact CB-CG1 4.02Å; A368-I373 HydrophobicContact CB-CG2 4.48Å; G370-I373 PolarHBondContact O-N 2.94Å; I373-K375 PolarHBondContact O-N 2.79Å; I373-M397 HydrophobicContact CD1-CE 3.24Å; I373-M397 HydrophobicContact CG1-CE 4.29Å; I373-L416 HydrophobicContact CD1-CD2 4.17Å
374	A	91.7	Very high	84.3	Confident	15 Å²	15	61.2 Å²	61.2	12%	0.124	33%	0.325	C	S	.	.			trans	-62.6	130.3	171.7	0	0	0	0	0	111	G63 V64 S376 L415	G63-A374 CarbonylContact C-O 3.43Å; G63-A374 WeakPolarHBondContact CA-O 3.47Å; V64-A374 HydrophobicContact CG1-CB 4.09Å; V64-A374 WeakPolarHBondContact CG1-O 3.34Å; A374-S376 PolarHBondContact O-N 3.24Å; A374-L415 PolarHBondContact N-O 3.44Å
375	K	85.1	Confident	84.1	Confident	182 Å²	182	61.2 Å²	61.2	79%	0.791	33%	0.325	S	S	*	.	S	Bend	trans	-77.9	0.7	-179	-67.8	-173.6	176.4	-176.9	0	114.5	I373	I373-K375 PolarHBondContact O-N 2.79Å
376	S	76.8	Confident	84.2	Confident	84 Å²	84	63.8 Å²	63.8	59%	0.587	34%	0.336	S	S	*	.	S	Bend	trans	-131.3	139.1	179.4	56.5	0	0	0	0	108.7	A374	A374-S376 PolarHBondContact O-N 3.24Å
377	Q	75	Confident	84.2	Confident	68 Å²	68	63.7 Å²	63.7	32%	0.318	34%	0.336	S	S	.	.			trans	-54.4	130.8	171.1	-62.3	-59.4	-26.4	0	0	109.5	I60 G63 Y65 T379	I60-Q377 PolarHBondContact O-NE2 3.26Å; G63-Q377 PolarHBondContact O-NE2 3.36Å; Y65-Q377 VanDerWaalsContact N-CD 3.29Å; Y65-Q377 PolarHBondContact O-OE1 2.86Å; Q377-T379 PolarHBondContact O-N 2.79Å
378	P	66.8	Low	84.3	Confident	33 Å²	33	63.8 Å²	63.8	21%	0.214	34%	0.336	C	S	.	.			trans	-55.1	118.8	169.6	-20.5	30.7	0	0	0	108.3	E380 L381 L415	P378-E380 PolarHBondContact O-N 3.23Å; P378-L381 HydrophobicContact CB-CD2 3.73Å; P378-L381 HydrophobicContact CB-CG 4.12Å; P378-L381 HydrophobicContact CG-CD2 4Å; P378-L415 HydrophobicContact CG-CD2 3.91Å
379	T	59.8	Low	84.3	Confident	153 Å²	153	63.7 Å²	63.7	94%	0.939	34%	0.336	S	S	*	.	S	Bend	trans	-65.2	-28.7	179.7	36	0	0	0	0	111.7	Q377	Q377-T379 PolarHBondContact O-N 2.79Å
380	E	59.9	Low	84.4	Confident	172 Å²	172	62.3 Å²	62.3	80%	0.804	33%	0.329	S	S	*	.			trans	-151.2	121.8	175.6	-160.4	172.5	-166	0	0	109.3	P378	P378-E380 PolarHBondContact O-N 3.23Å
381	L	68.3	Low	84.6	Confident	46 Å²	46	61.4 Å²	61.4	24%	0.241	32%	0.32	C	S	.	.			trans	-90.5	127.5	165.7	-68.6	176.5	0	0	0	108	I66 P378 E383 I385 P414 L415	I66-L381 HydrophobicContact CD1-CD1 3.66Å; I66-L381 HydrophobicContact CG1-CD1 4.29Å; I66-L381 HydrophobicContact CG2-CD1 4.45Å; P378-L381 HydrophobicContact CB-CD2 3.73Å; P378-L381 HydrophobicContact CB-CG 4.12Å; P378-L381 HydrophobicContact CG-CD2 4Å; L381-E383 WeakPolarHBondContact CB-O 3.45Å; L381-E383 PolarHBondContact O-N 3.38Å; L381-I385 HydrophobicContact CD1-CD1 4.22Å; L381-I385 HydrophobicContact CD1-CG1 3.87Å; L381-P414 HydrophobicContact CD2-CB 4.1Å; L381-P414 HydrophobicContact CD2-CG 4.39Å; L381-L415 HydrophobicContact CD2-CD2 4.47Å
382	K	61.1	Low	84.9	Confident	211 Å²	211	58.5 Å²	58.5	92%	0.917	30%	0.301	S	S	*	.	S	Bend	trans	-63.4	-29.6	177	-70.7	-176.1	177.5	-179.5	0	112.8
383	E	76.8	Confident	85	Confident	104 Å²	104	57 Å²	57	49%	0.486	29%	0.293	S	S	.	.	S	Bend	trans	-137.5	146.1	179.9	-71.8	178.2	-149.1	0	0	109	L381 R411	L381-E383 WeakPolarHBondContact CB-O 3.45Å; L381-E383 PolarHBondContact O-N 3.38Å; E383-R411 HydrophobicContact CB-CG 3.92Å; E383-R411 WeakPolarHBondContact OE2-CD 3.31Å; E383-R411 WeakPolarHBondContact OE2-CG 3.34Å; E383-R411 IonicContact OE2-NH1 2.69Å; E383-R411 PolarHBondContact OE2-NH1 2.9Å
384	S	89.1	Confident	85.2	Confident	63 Å²	63	56.8 Å²	56.8	44%	0.441	29%	0.293	S	S	.	.			trans	-61.4	135.8	170.8	-51.7	0	0	0	0	110.3	E70 R411	E70-S384 WeakPolarHBondContact OE1-CB 3.43Å; E70-S384 PolarHBondContact OE1-OG 3.37Å; E70-S384 VanDerWaalsContact OE1-OG 3.08Å; S384-R411 VanDerWaalsContact O-CD 3.22Å; S384-R411 WeakPolarHBondContact O-CD 3.41Å
385	I	95.3	Very high	85.5	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.288	C	S	.	.			trans	-65.6	140.8	167.8	-54.3	-57.1	0	0	0	109.1	I66 I69 E70 L366 L381 D389 R411 V412 L415	I66-I385 HydrophobicContact CG1-CG1 4.34Å; I69-I385 CarbonylContact C-O 3.6Å; I69-I385 WeakPolarHBondContact CA-O 3.07Å; I69-I385 HydrophobicContact CB-CB 4.32Å; I69-I385 HydrophobicContact CB-CG2 4.4Å; I69-I385 WeakPolarHBondContact CB-O 3.49Å; I69-I385 HydrophobicContact CG2-CB 3.82Å; I69-I385 HydrophobicContact CG2-CG2 3.97Å; E70-I385 PolarHBondContact N-O 3.16Å; L366-I385 HydrophobicContact CD2-CG2 4.13Å; L381-I385 HydrophobicContact CD1-CD1 4.22Å; L381-I385 HydrophobicContact CD1-CG1 3.87Å; I385-D389 HydrophobicContact CG2-CB 4.34Å; I385-R411 HydrophobicContact CD1-CB 4.04Å; I385-R411 WeakPolarHBondContact CD1-O 3.48Å; I385-V412 HydrophobicContact CD1-CG1 4.23Å; I385-L415 HydrophobicContact CD1-CD1 4.26Å
386	K	97.3	Very high	86	Confident	53 Å²	53	49 Å²	49	23%	0.23	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-109.1	154.7	173.3	-50.5	-168	174.4	-165.8	0	110.6	E70 I388 D389	E70-K386 HydrophobicContact CB-CB 4.45Å; E70-K386 HydrophobicContact CB-CG 4.15Å; E70-K386 CarbonylContact O-C 3.58Å; E70-K386 WeakPolarHBondContact O-CA 3.24Å; E70-K386 VanDerWaalsContact OE2-CE 3.27Å; E70-K386 WeakPolarHBondContact OE2-CE 3.37Å; E70-K386 IonicContact OE2-NZ 2.66Å; K386-I388 VanDerWaalsContact C-N 3.29Å; K386-I388 HydrophobicContact CB-CG1 3.92Å; K386-I388 PolarHBondContact O-N 3.34Å; K386-D389 WeakPolarHBondContact CB-OD2 3.39Å; K386-D389 PolarHBondContact N-OD2 3.13Å; K386-D389 WeakPolarHBondContact O-CB 3.48Å; K386-D389 PolarHBondContact O-N 3.13Å
387	L	98.2	Very high	86.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-43	-179.1	-169.2	68.9	0	0	0	112.5	I69 E70 N71 E72 I84 P364 D389 I390	I69-L387 HydrophobicContact CD1-CD1 3.75Å; E70-L387 PolarHBondContact O-N 3.47Å; N71-L387 VanDerWaalsContact OD1-CD2 3.32Å; N71-L387 WeakPolarHBondContact OD1-CD2 3.45Å; E72-L387 HydrophobicContact CG-CB 4.42Å; E72-L387 HydrophobicContact CG-CD2 4.21Å; I84-L387 HydrophobicContact CD1-CD1 3.79Å; I84-L387 HydrophobicContact CD1-CD2 4.24Å; I84-L387 HydrophobicContact CD1-CG 4.16Å; I84-L387 HydrophobicContact CG1-CD1 3.58Å; I84-L387 HydrophobicContact CG1-CD2 3.82Å; I84-L387 HydrophobicContact CG1-CG 3.49Å; I84-L387 VanDerWaalsContact CG1-CG 3.49Å; P364-L387 HydrophobicContact CG-CD1 4.08Å; L387-D389 PolarHBondContact O-N 2.98Å; L387-I390 HydrophobicContact CD1-CD1 4.07Å; L387-I390 WeakPolarHBondContact O-CB 3.23Å; L387-I390 WeakPolarHBondContact O-CG1 3.4Å; L387-I390 PolarHBondContact O-N 3.3Å
388	I	98.4	Very high	87.9	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20	175.7	50.9	166.9	0	0	0	114.7	E72 G87 L88 H89 K386 I390 Y391 N406	E72-I388 HydrophobicContact CG-CG2 4.42Å; E72-I388 WeakPolarHBondContact OE1-CG2 3.25Å; G87-I388 WeakPolarHBondContact CA-O 3.48Å; L88-I388 WeakPolarHBondContact O-CG2 3.33Å; H89-I388 VanDerWaalsContact CE1-CD1 3.43Å; H89-I388 WeakPolarHBondContact CE1-CD1 3.41Å; K386-I388 VanDerWaalsContact C-N 3.29Å; K386-I388 HydrophobicContact CB-CG1 3.92Å; K386-I388 PolarHBondContact O-N 3.34Å; I388-I390 PolarHBondContact O-N 3.5Å; I388-Y391 PolarHBondContact O-N 3.18Å; I388-N406 HydrophobicContact CD1-CB 3.73Å; I388-N406 WeakPolarHBondContact CD1-O 3.25Å
389	D	98.4	Very high	89.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-73	-16.2	-179.7	-58	-39.9	0	0	0	112.5	I385 K386 L387 Y391 S392 L393 G407 S408 R411 V412	I385-D389 HydrophobicContact CG2-CB 4.34Å; K386-D389 WeakPolarHBondContact CB-OD2 3.39Å; K386-D389 PolarHBondContact N-OD2 3.13Å; K386-D389 WeakPolarHBondContact O-CB 3.48Å; K386-D389 PolarHBondContact O-N 3.13Å; L387-D389 PolarHBondContact O-N 2.98Å; D389-Y391 PolarHBondContact O-N 2.84Å; D389-S392 WeakPolarHBondContact O-CB 3.29Å; D389-S392 PolarHBondContact O-N 3.45Å; D389-S392 VanDerWaalsContact O-N 3.1Å; D389-L393 PolarHBondContact O-N 3.27Å; D389-G407 WeakPolarHBondContact OD1-CA 3.39Å; D389-S408 PolarHBondContact OD1-N 2.82Å; D389-R411 VanDerWaalsContact CG-NE 3.26Å; D389-R411 IonicContact OD1-CZ 3.69Å; D389-R411 VanDerWaalsContact OD1-CZ 3.31Å; D389-R411 IonicContact OD1-NE 2.71Å; D389-R411 PolarHBondContact OD1-NE 3.08Å; D389-R411 VanDerWaalsContact OD1-NE 3.07Å; D389-R411 IonicContact OD1-NH2 3.78Å; D389-R411 PolarHBondContact OD1-NH2 3.28Å; D389-R411 WeakPolarHBondContact OD2-CD 3.42Å; D389-R411 IonicContact OD2-CZ 3.45Å; D389-R411 IonicContact OD2-NE 2.72Å; D389-R411 PolarHBondContact OD2-NE 3.26Å; D389-R411 IonicContact OD2-NH2 3.31Å; D389-V412 HydrophobicContact CB-CG1 3.53Å
390	I	98.6	Very high	91	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-36.7	175.7	-62.5	175.4	0	0	0	110.4	L32 I69 I84 T244 L366 L387 I388 S392 L393 I394	L32-I390 HydrophobicContact CD1-CG2 4Å; L32-I390 HydrophobicContact CD2-CG2 4.3Å; I69-I390 HydrophobicContact CD1-CD1 4.29Å; I84-I390 HydrophobicContact CG1-CD1 4.46Å; I84-I390 HydrophobicContact CG2-CB 4.16Å; I84-I390 HydrophobicContact CG2-CD1 4.35Å; I84-I390 HydrophobicContact CG2-CG2 3.87Å; T244-I390 HydrophobicContact CG2-CD1 3.89Å; L366-I390 HydrophobicContact CD1-CD1 3.96Å; L366-I390 HydrophobicContact CD1-CG1 4.16Å; L387-I390 HydrophobicContact CD1-CD1 4.07Å; L387-I390 WeakPolarHBondContact O-CB 3.23Å; L387-I390 WeakPolarHBondContact O-CG1 3.4Å; L387-I390 PolarHBondContact O-N 3.3Å; I388-I390 PolarHBondContact O-N 3.5Å; I390-S392 PolarHBondContact O-N 3.45Å; I390-L393 WeakPolarHBondContact O-CB 3.42Å; I390-L393 PolarHBondContact O-N 3.3Å; I390-I394 HydrophobicContact CG2-CD1 3.98Å; I390-I394 HydrophobicContact CG2-CG1 4.47Å; I390-I394 VanDerWaalsContact O-CG1 3.32Å; I390-I394 WeakPolarHBondContact O-CG1 3.34Å; I390-I394 PolarHBondContact O-N 2.87Å
391	Y	98.8	Very high	92.8	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-56.2	-51.9	172.4	176.5	-99.5	0	0	0	111.4	I84 V85 I130 T133 I388 D389 L393 I394 C395 P402 A403 N405	I84-Y391 PolarHBondContact O-N 3.34Å; V85-Y391 WeakPolarHBondContact O-CD2 3.15Å; V85-Y391 WeakPolarHBondContact O-CE2 3.5Å; I130-Y391 HydrophobicContact CB-CD2 4.01Å; I130-Y391 HydrophobicContact CB-CE2 3.97Å; I130-Y391 HydrophobicContact CD1-CD2 3.99Å; I130-Y391 HydrophobicContact CD1-CE2 3.71Å; I130-Y391 HydrophobicContact CG1-CD2 4.48Å; I130-Y391 HydrophobicContact CG1-CE2 4.43Å; T133-Y391 PolarHBondContact OG1-OH 2.93Å; T133-Y391 VanDerWaalsContact OG1-OH 3.07Å; I388-Y391 PolarHBondContact O-N 3.18Å; D389-Y391 PolarHBondContact O-N 2.84Å; Y391-L393 VanDerWaalsContact C-N 3.3Å; Y391-L393 PolarHBondContact O-N 2.73Å; Y391-I394 PolarHBondContact O-N 2.89Å; Y391-C395 PolarHBondContact O-N 2.67Å; Y391-C395 PolarHBondContact O-SG 3.24Å; Y391-P402 HydrophobicContact CE1-CB 3.77Å; Y391-A403 PolarHBondContact OH-N 3.07Å; Y391-N405 HydrophobicContact CD1-CB 4.01Å; Y391-N405 HydrophobicContact CE1-CB 4Å
392	S	97.9	Very high	94.2	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-38.8	178.6	-51	0	0	0	0	111.8	D389 I390 I394 C395 L396	D389-S392 WeakPolarHBondContact O-CB 3.29Å; D389-S392 PolarHBondContact O-N 3.45Å; D389-S392 VanDerWaalsContact O-N 3.1Å; I390-S392 PolarHBondContact O-N 3.45Å; S392-I394 VanDerWaalsContact C-N 3.34Å; S392-I394 PolarHBondContact O-N 3.02Å; S392-C395 PolarHBondContact O-N 2.9Å; S392-L396 VanDerWaalsContact O-CG 3.27Å; S392-L396 WeakPolarHBondContact O-CG 3.48Å; S392-L396 PolarHBondContact O-N 2.88Å
393	L	97.5	Very high	96	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-44.1	176.5	179.5	59.4	0	0	0	111.6	I242 D389 I390 Y391 L396 M397 V412 L415 L416	I242-L393 HydrophobicContact CD1-CD2 3.98Å; I242-L393 HydrophobicContact CD1-CG 4.23Å; D389-L393 PolarHBondContact O-N 3.27Å; I390-L393 WeakPolarHBondContact O-CB 3.42Å; I390-L393 PolarHBondContact O-N 3.3Å; Y391-L393 VanDerWaalsContact C-N 3.3Å; Y391-L393 PolarHBondContact O-N 2.73Å; L393-L396 PolarHBondContact O-N 2.87Å; L393-M397 HydrophobicContact CD1-CE 3.56Å; L393-M397 HydrophobicContact CD2-CE 4.12Å; L393-M397 HydrophobicContact CG-CE 3.66Å; L393-M397 WeakPolarHBondContact O-CG 3.27Å; L393-M397 PolarHBondContact O-N 3.49Å; L393-M397 VanDerWaalsContact O-N 3.09Å; L393-V412 HydrophobicContact CB-CB 4.12Å; L393-V412 HydrophobicContact CB-CG1 4.19Å; L393-V412 HydrophobicContact CB-CG2 4.16Å; L393-V412 HydrophobicContact CD1-CB 4.15Å; L393-V412 HydrophobicContact CD1-CG2 4.48Å; L393-L415 HydrophobicContact CD2-CD1 4.27Å; L393-L416 HydrophobicContact CD1-CD1 3.87Å; L393-L416 HydrophobicContact CD1-CD2 3.94Å; L393-L416 HydrophobicContact CD1-CG 3.86Å
394	I	98.5	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.5	-43.5	179.3	-62.6	167.7	0	0	0	110.8	V30 L32 I130 L189 I242 I390 Y391 S392 L396 M397 L398	V30-I394 HydrophobicContact CG1-CG1 4.22Å; V30-I394 HydrophobicContact CG1-CG2 4.3Å; L32-I394 HydrophobicContact CB-CD1 4.36Å; L32-I394 HydrophobicContact CD2-CD1 3.91Å; I130-I394 HydrophobicContact CD1-CB 4.38Å; I130-I394 HydrophobicContact CD1-CG2 4Å; I130-I394 HydrophobicContact CG1-CB 4.31Å; I130-I394 HydrophobicContact CG1-CG2 3.71Å; L189-I394 HydrophobicContact CD1-CG2 4.02Å; I242-I394 HydrophobicContact CD1-CD1 4.45Å; I242-I394 HydrophobicContact CD1-CG1 3.76Å; I390-I394 HydrophobicContact CG2-CD1 3.98Å; I390-I394 HydrophobicContact CG2-CG1 4.47Å; I390-I394 VanDerWaalsContact O-CG1 3.32Å; I390-I394 WeakPolarHBondContact O-CG1 3.34Å; I390-I394 PolarHBondContact O-N 2.87Å; Y391-I394 PolarHBondContact O-N 2.89Å; S392-I394 VanDerWaalsContact C-N 3.34Å; S392-I394 PolarHBondContact O-N 3.02Å; I394-L396 VanDerWaalsContact C-N 3.29Å; I394-L396 PolarHBondContact O-N 3.33Å; I394-M397 PolarHBondContact O-N 3.08Å; I394-L398 HydrophobicContact CG2-CD1 3.78Å; I394-L398 HydrophobicContact CG2-CG 4.27Å; I394-L398 WeakPolarHBondContact O-CB 3.12Å; I394-L398 PolarHBondContact O-N 3.14Å
395	C	98.2	Very high	97.4	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.027	16%	0.162	C	C	.	.	H	α-helix	trans	-56.2	-43.4	174.8	-69.5	0	0	0	0	111.8	I130 Y391 S392 L398 D399 L400 P402	I130-C395 WeakPolarHBondContact CD1-SG 3.36Å; Y391-C395 PolarHBondContact O-N 2.67Å; Y391-C395 PolarHBondContact O-SG 3.24Å; S392-C395 PolarHBondContact O-N 2.9Å; C395-L398 PolarHBondContact O-N 3.33Å; C395-D399 WeakPolarHBondContact O-CA 3.48Å; C395-D399 PolarHBondContact O-N 2.59Å; C395-L400 HydrophobicContact CB-CB 4.27Å; C395-L400 PolarHBondContact O-N 3.41Å; C395-P402 HydrophobicContact CB-CB 4.3Å
396	L	95.7	Very high	97.5	Very high	30 Å²	30	32.4 Å²	32.4	16%	0.157	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-38.9	177.3	-68	169.7	0	0	0	112.8	S392 L393 I394 V409 V412 L416 F421	S392-L396 VanDerWaalsContact O-CG 3.27Å; S392-L396 WeakPolarHBondContact O-CG 3.48Å; S392-L396 PolarHBondContact O-N 2.88Å; L393-L396 PolarHBondContact O-N 2.87Å; I394-L396 VanDerWaalsContact C-N 3.29Å; I394-L396 PolarHBondContact O-N 3.33Å; L396-V409 HydrophobicContact CD1-CB 4.35Å; L396-V409 HydrophobicContact CD1-CG1 3.86Å; L396-V409 HydrophobicContact CD1-CG2 4.16Å; L396-V409 HydrophobicContact CD2-CG1 4.13Å; L396-V409 HydrophobicContact CD2-CG2 4.14Å; L396-V409 HydrophobicContact CG-CG2 4.34Å; L396-V412 HydrophobicContact CD1-CG2 3.93Å; L396-L416 HydrophobicContact CB-CD1 3.92Å; L396-L416 HydrophobicContact CD1-CD1 4.08Å; L396-F421 HydrophobicContact CD2-CE1 4.23Å
397	M	95.9	Very high	97.5	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-41.6	178.9	-73.4	176.3	-175.3	0	0	112.1	S28 V30 N240 I242 Q372 I373 L393 I394 L416	S28-M397 WeakPolarHBondContact CB-O 3.45Å; S28-M397 PolarHBondContact OG-O 2.8Å; S28-M397 VanDerWaalsContact OG-O 3.1Å; V30-M397 HydrophobicContact CG2-CB 3.76Å; V30-M397 HydrophobicContact CG2-CG 4.43Å; V30-M397 HydrophobicContact CG2-SD 3.74Å; N240-M397 HydrophobicContact CB-CE 4.4Å; N240-M397 HydrophobicContact CB-SD 3.77Å; I242-M397 HydrophobicContact CD1-CE 4.07Å; I242-M397 HydrophobicContact CD1-SD 4.01Å; I242-M397 HydrophobicContact CG1-CE 4.35Å; Q372-M397 PolarHBondContact NE2-O 2.98Å; Q372-M397 VanDerWaalsContact NE2-O 3.14Å; Q372-M397 PolarHBondContact OE1-O 3.27Å; I373-M397 HydrophobicContact CD1-CE 3.24Å; I373-M397 HydrophobicContact CG1-CE 4.29Å; L393-M397 HydrophobicContact CD1-CE 3.56Å; L393-M397 HydrophobicContact CD2-CE 4.12Å; L393-M397 HydrophobicContact CG-CE 3.66Å; L393-M397 WeakPolarHBondContact O-CG 3.27Å; L393-M397 PolarHBondContact O-N 3.49Å; L393-M397 VanDerWaalsContact O-N 3.09Å; I394-M397 PolarHBondContact O-N 3.08Å; M397-L416 HydrophobicContact CE-CD2 3.65Å; M397-L416 HydrophobicContact CG-CD2 4.02Å
398	L	96.4	Very high	97.3	Very high	10 Å²	10	32 Å²	32	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-90.1	1.4	-176.4	-64.6	-177	0	0	0	113.8	S28 V30 L189 I394 C395 L400	S28-L398 VanDerWaalsContact O-CD2 3.28Å; S28-L398 WeakPolarHBondContact O-CD2 3.35Å; V30-L398 HydrophobicContact CB-CD2 4.27Å; V30-L398 HydrophobicContact CB-CG 4.44Å; V30-L398 HydrophobicContact CG2-CD1 4.4Å; V30-L398 HydrophobicContact CG2-CD2 3.7Å; V30-L398 HydrophobicContact CG2-CG 3.84Å; L189-L398 HydrophobicContact CB-CD1 4.09Å; L189-L398 HydrophobicContact CD1-CD1 4.15Å; L189-L398 HydrophobicContact CD2-CD1 4.37Å; L189-L398 HydrophobicContact CG-CD1 4.44Å; I394-L398 HydrophobicContact CG2-CD1 3.78Å; I394-L398 HydrophobicContact CG2-CG 4.27Å; I394-L398 WeakPolarHBondContact O-CB 3.12Å; I394-L398 PolarHBondContact O-N 3.14Å; C395-L398 PolarHBondContact O-N 3.33Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 HydrophobicContact CB-CD1 3.89Å; L398-L400 HydrophobicContact CB-CD2 4.38Å; L398-L400 HydrophobicContact CB-CG 3.72Å; L398-L400 HydrophobicContact CD1-CD1 4.06Å; L398-L400 PolarHBondContact O-N 3.12Å
399	D	94.6	Very high	97.1	Very high	116 Å²	116	35.1 Å²	35.1	62%	0.62	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	44.1	-176.9	-159.9	34	0	0	0	113.2	C395	C395-D399 WeakPolarHBondContact O-CA 3.48Å; C395-D399 PolarHBondContact O-N 2.59Å
400	L	96.6	Very high	96.8	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	23%	0.234	C	C	.	.			trans	-95.3	140	179.4	-56.2	175.3	0	0	0	110.8	I130 T133 N134 H137 C395 L398 P402	I130-L400 HydrophobicContact CD1-CD1 3.91Å; T133-L400 HydrophobicContact CG2-CB 4.29Å; T133-L400 HydrophobicContact CG2-CD1 4.43Å; N134-L400 HydrophobicContact CB-CD1 4.13Å; H137-L400 HydrophobicContact CB-CD2 3.67Å; C395-L400 HydrophobicContact CB-CB 4.27Å; C395-L400 PolarHBondContact O-N 3.41Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 HydrophobicContact CB-CD1 3.89Å; L398-L400 HydrophobicContact CB-CD2 4.38Å; L398-L400 HydrophobicContact CB-CG 3.72Å; L398-L400 HydrophobicContact CD1-CD1 4.06Å; L398-L400 PolarHBondContact O-N 3.12Å; L400-P402 VanDerWaalsContact O-CD 3.29Å; L400-P402 WeakPolarHBondContact O-CD 3.12Å
401	E	97.2	Very high	96.5	Very high	151 Å²	151	41.2 Å²	41.2	71%	0.706	24%	0.24	S	C	*	.			trans	-70.5	115.5	162.6	-171.9	175.1	179	0	0	108.6	T133 H137	T133-E401 VanDerWaalsContact CG2-O 3.32Å; T133-E401 WeakPolarHBondContact CG2-O 3.12Å; H137-E401 PolarHBondContact CE1-O 2.93Å; H137-E401 WeakPolarHBondContact NE2-CB 3.37Å; H137-E401 PolarHBondContact NE2-N 2.88Å
402	P	98	Very high	96.3	Very high	59 Å²	59	41.2 Å²	41.2	38%	0.383	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-71.9	142.7	-177.1	29.1	-33.8	0	0	0	111.1	Y391 C395 L400	Y391-P402 HydrophobicContact CE1-CB 3.77Å; C395-P402 HydrophobicContact CB-CB 4.3Å; L400-P402 VanDerWaalsContact O-CD 3.29Å; L400-P402 WeakPolarHBondContact O-CD 3.12Å
403	A	97.8	Very high	96	Very high	11 Å²	11	44.4 Å²	44.4	9%	0.091	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-62.5	160.1	163.7	0	0	0	0	0	110.6	E128 Y391 N405	E128-A403 HydrophobicContact CB-CB 3.77Å; E128-A403 HydrophobicContact CG-CB 4.14Å; Y391-A403 PolarHBondContact OH-N 3.07Å; A403-N405 PolarHBondContact O-N 3.11Å; A403-N405 VanDerWaalsContact O-N 3.1Å; A403-N405 PolarHBondContact O-ND2 3.13Å
404	P	97.7	Very high	95.7	Very high	120 Å²	120	47.4 Å²	47.4	78%	0.779	28%	0.275	S	S	*	.	S	Bend	trans	-52.8	120.8	174.6	-26.5	35.1	0	0	0	111.5
405	N	98	Very high	95.5	Very high	41 Å²	41	47.4 Å²	47.4	22%	0.219	28%	0.276	C	S	.	.			trans	-145.5	170.4	-174.6	70.8	92.4	0	0	0	111.2	T86 Y391 A403 G407	T86-N405 WeakPolarHBondContact O-CB 3.42Å; Y391-N405 HydrophobicContact CD1-CB 4.01Å; Y391-N405 HydrophobicContact CE1-CB 4Å; A403-N405 PolarHBondContact O-N 3.11Å; A403-N405 VanDerWaalsContact O-N 3.1Å; A403-N405 PolarHBondContact O-ND2 3.13Å; N405-G407 WeakPolarHBondContact OD1-CA 3.09Å; N405-G407 PolarHBondContact OD1-N 3.25Å
406	N	97.5	Very high	95.2	Very high	64 Å²	64	47.7 Å²	47.7	34%	0.342	28%	0.277	S	S	.	.	S	Bend	trans	-98.2	-4.6	179.2	-56.3	123.5	0	0	0	113.5	G87 L88 H89 I388	G87-N406 WeakPolarHBondContact O-CA 3.37Å; G87-N406 WeakPolarHBondContact O-CB 3.3Å; G87-N406 PolarHBondContact O-N 3.44Å; L88-N406 WeakPolarHBondContact CA-OD1 3.48Å; H89-N406 PolarHBondContact CD2-OD1 2.71Å; H89-N406 VanDerWaalsContact CD2-OD1 3.31Å; H89-N406 PolarHBondContact N-OD1 2.79Å; I388-N406 HydrophobicContact CD1-CB 3.73Å; I388-N406 WeakPolarHBondContact CD1-O 3.25Å
407	G	96.8	Very high	94.9	Very high	18 Å²	18	48 Å²	48	19%	0.186	28%	0.281	C	S	.	.			trans	-67.6	164.6	177	0	0	0	0	0	112.8	G87 D389 N405	G87-G407 PolarHBondContact O-N 3.02Å; D389-G407 WeakPolarHBondContact OD1-CA 3.39Å; N405-G407 WeakPolarHBondContact OD1-CA 3.09Å; N405-G407 PolarHBondContact OD1-N 3.25Å
408	S	95.2	Very high	93.7	Very high	27 Å²	27	56.8 Å²	56.8	19%	0.189	32%	0.323	C	S	.	.			trans	-129.9	120.2	179	-179.8	0	0	0	0	112.5	D389 C410 R411	D389-S408 PolarHBondContact OD1-N 2.82Å; S408-C410 PolarHBondContact O-N 3.08Å; S408-C410 PolarHBondContact OG-N 3.27Å; S408-R411 PolarHBondContact O-N 3.25Å
409	V	93.4	Very high	92.1	Very high	66 Å²	66	59.4 Å²	59.4	40%	0.4	35%	0.351	S	S	.	.	H	α-helix	trans	-54.6	-39	168	169	0	0	0	0	111.3	L396 R411 V412 L413	L396-V409 HydrophobicContact CD1-CB 4.35Å; L396-V409 HydrophobicContact CD1-CG1 3.86Å; L396-V409 HydrophobicContact CD1-CG2 4.16Å; L396-V409 HydrophobicContact CD2-CG1 4.13Å; L396-V409 HydrophobicContact CD2-CG2 4.14Å; L396-V409 HydrophobicContact CG-CG2 4.34Å; V409-R411 PolarHBondContact O-N 3.29Å; V409-V412 PolarHBondContact O-N 3.42Å; V409-L413 VanDerWaalsContact O-CB 3.25Å; V409-L413 WeakPolarHBondContact O-CB 3.42Å; V409-L413 PolarHBondContact O-N 3.23Å
410	C	92.3	Very high	90.3	Very high	95 Å²	95	55 Å²	55	64%	0.642	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-31.7	-176.8	-67	0	0	0	0	112.8	S408	S408-C410 PolarHBondContact O-N 3.08Å; S408-C410 PolarHBondContact OG-N 3.27Å
411	R	93.1	Very high	88.1	Confident	33 Å²	33	55.9 Å²	55.9	13%	0.125	33%	0.334	C	S	.	.	H	α-helix	trans	-72.5	-40.3	178.7	-72.4	-167.8	-74.2	-88.5	2.1	111.8	E383 S384 I385 D389 S408 V409 P414	E383-R411 HydrophobicContact CB-CG 3.92Å; E383-R411 WeakPolarHBondContact OE2-CD 3.31Å; E383-R411 WeakPolarHBondContact OE2-CG 3.34Å; E383-R411 IonicContact OE2-NH1 2.69Å; E383-R411 PolarHBondContact OE2-NH1 2.9Å; S384-R411 VanDerWaalsContact O-CD 3.22Å; S384-R411 WeakPolarHBondContact O-CD 3.41Å; I385-R411 HydrophobicContact CD1-CB 4.04Å; I385-R411 WeakPolarHBondContact CD1-O 3.48Å; D389-R411 VanDerWaalsContact CG-NE 3.26Å; D389-R411 IonicContact OD1-CZ 3.69Å; D389-R411 VanDerWaalsContact OD1-CZ 3.31Å; D389-R411 IonicContact OD1-NE 2.71Å; D389-R411 PolarHBondContact OD1-NE 3.08Å; D389-R411 VanDerWaalsContact OD1-NE 3.07Å; D389-R411 IonicContact OD1-NH2 3.78Å; D389-R411 PolarHBondContact OD1-NH2 3.28Å; D389-R411 WeakPolarHBondContact OD2-CD 3.42Å; D389-R411 IonicContact OD2-CZ 3.45Å; D389-R411 IonicContact OD2-NE 2.72Å; D389-R411 PolarHBondContact OD2-NE 3.26Å; D389-R411 IonicContact OD2-NH2 3.31Å; S408-R411 PolarHBondContact O-N 3.25Å; V409-R411 PolarHBondContact O-N 3.29Å; R411-P414 WeakPolarHBondContact O-CD 3.22Å
412	V	93.6	Very high	85.7	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-94.7	-15.3	-173.9	-64.4	0	0	0	0	114.3	I385 D389 L393 L396 V409 P414 L415	I385-V412 HydrophobicContact CD1-CG1 4.23Å; D389-V412 HydrophobicContact CB-CG1 3.53Å; L393-V412 HydrophobicContact CB-CB 4.12Å; L393-V412 HydrophobicContact CB-CG1 4.19Å; L393-V412 HydrophobicContact CB-CG2 4.16Å; L393-V412 HydrophobicContact CD1-CB 4.15Å; L393-V412 HydrophobicContact CD1-CG2 4.48Å; L396-V412 HydrophobicContact CD1-CG2 3.93Å; V409-V412 PolarHBondContact O-N 3.42Å; V412-P414 VanDerWaalsContact C-CD 3.4Å; V412-P414 VanDerWaalsContact C-N 3.32Å; V412-L415 HydrophobicContact CB-CD1 4.26Å; V412-L415 HydrophobicContact CG1-CD1 4.25Å; V412-L415 VanDerWaalsContact O-CB 3.22Å; V412-L415 WeakPolarHBondContact O-CB 3.3Å; V412-L415 WeakPolarHBondContact O-CG 3.35Å; V412-L415 PolarHBondContact O-N 3.47Å
413	L	91.9	Very high	83.1	Confident	72 Å²	72	53.6 Å²	53.6	38%	0.377	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-51.9	-41.7	178.1	-176.5	63.7	0	0	0	113.6	V409 L415 L416 F421	V409-L413 VanDerWaalsContact O-CB 3.25Å; V409-L413 WeakPolarHBondContact O-CB 3.42Å; V409-L413 PolarHBondContact O-N 3.23Å; L413-L415 PolarHBondContact O-N 3.43Å; L413-L416 PolarHBondContact O-N 2.92Å; L413-L416 VanDerWaalsContact O-N 3.15Å; L413-F421 HydrophobicContact CD1-CD1 4.17Å; L413-F421 HydrophobicContact CD1-CD2 3.88Å; L413-F421 HydrophobicContact CD1-CE1 3.6Å; L413-F421 HydrophobicContact CD1-CE2 3.26Å; L413-F421 HydrophobicContact CD1-CG 4.28Å; L413-F421 HydrophobicContact CD1-CZ 3.09Å
414	P	91.7	Very high	80.6	Confident	63 Å²	63	56.2 Å²	56.2	41%	0.409	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-65.1	-15.2	176.6	-22	35.4	0	0	0	114.9	L381 R411 V412 L416	L381-P414 HydrophobicContact CD2-CB 4.1Å; L381-P414 HydrophobicContact CD2-CG 4.39Å; R411-P414 WeakPolarHBondContact O-CD 3.22Å; V412-P414 VanDerWaalsContact C-CD 3.4Å; V412-P414 VanDerWaalsContact C-N 3.32Å; P414-L416 VanDerWaalsContact C-N 3.25Å
415	L	93.2	Very high	77.9	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-78.6	-13.6	177.3	-51.8	-178	0	0	0	112.3	V64 I66 L366 A374 P378 L381 I385 L393 V412 L413	V64-L415 HydrophobicContact CG2-CB 4.44Å; V64-L415 HydrophobicContact CG2-CD2 4.41Å; I66-L415 HydrophobicContact CD1-CD2 4.09Å; I66-L415 HydrophobicContact CG1-CD2 4.22Å; L366-L415 HydrophobicContact CD2-CD1 3.97Å; A374-L415 PolarHBondContact N-O 3.44Å; P378-L415 HydrophobicContact CG-CD2 3.91Å; L381-L415 HydrophobicContact CD2-CD2 4.47Å; I385-L415 HydrophobicContact CD1-CD1 4.26Å; L393-L415 HydrophobicContact CD2-CD1 4.27Å; V412-L415 HydrophobicContact CB-CD1 4.26Å; V412-L415 HydrophobicContact CG1-CD1 4.25Å; V412-L415 VanDerWaalsContact O-CB 3.22Å; V412-L415 WeakPolarHBondContact O-CB 3.3Å; V412-L415 WeakPolarHBondContact O-CG 3.35Å; V412-L415 PolarHBondContact O-N 3.47Å; L413-L415 PolarHBondContact O-N 3.43Å
416	L	92.9	Very high	75.4	Confident	9 Å²	9	59.6 Å²	59.6	5%	0.047	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-104.7	147.6	-175.8	-66.6	174	0	0	0	111.2	Q372 I373 L393 L396 M397 L413 P414 F421	Q372-L416 HydrophobicContact CB-CD2 4.15Å; Q372-L416 CarbonylContact O-C 3.47Å; Q372-L416 VanDerWaalsContact O-CA 3.32Å; Q372-L416 WeakPolarHBondContact O-CA 3.16Å; Q372-L416 WeakPolarHBondContact O-CD2 3.27Å; I373-L416 HydrophobicContact CD1-CD2 4.17Å; L393-L416 HydrophobicContact CD1-CD1 3.87Å; L393-L416 HydrophobicContact CD1-CD2 3.94Å; L393-L416 HydrophobicContact CD1-CG 3.86Å; L396-L416 HydrophobicContact CB-CD1 3.92Å; L396-L416 HydrophobicContact CD1-CD1 4.08Å; M397-L416 HydrophobicContact CE-CD2 3.65Å; M397-L416 HydrophobicContact CG-CD2 4.02Å; L413-L416 PolarHBondContact O-N 2.92Å; L413-L416 VanDerWaalsContact O-N 3.15Å; P414-L416 VanDerWaalsContact C-N 3.25Å; L416-F421 HydrophobicContact CB-CE2 3.56Å; L416-F421 HydrophobicContact CB-CZ 3.69Å; L416-F421 HydrophobicContact CD1-CE1 4.22Å; L416-F421 HydrophobicContact CD1-CE2 4.2Å; L416-F421 HydrophobicContact CD1-CZ 3.4Å; L416-F421 VanDerWaalsContact CD1-CZ 3.4Å; L416-F421 HydrophobicContact CG-CZ 4.16Å
417	S	88.5	Confident	73.1	Confident	37 Å²	37	62.1 Å²	62.1	26%	0.259	36%	0.357	S	S	.	.			trans	-70.5	143.1	177.1	70.6	0	0	0	0	111	Q372 G419 S420	Q372-S417 PolarHBondContact O-N 3.46Å; Q372-S417 PolarHBondContact O-OG 2.96Å; S417-G419 PolarHBondContact O-N 3.18Å; S417-G419 VanDerWaalsContact O-N 3.09Å; S417-S420 VanDerWaalsContact O-CB 3.24Å; S417-S420 WeakPolarHBondContact O-CB 3.29Å; S417-S420 PolarHBondContact O-N 2.87Å
418	Q	71	Confident	71.1	Confident	188 Å²	188	64.2 Å²	64.2	88%	0.879	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-58	-28.6	-177	-67.3	-175.5	0.2	0	0	113.5	S420	Q418-S420 PolarHBondContact O-N 3.33Å
419	G	62.5	Low	69.5	Low	64 Å²	64	67.3 Å²	67.3	66%	0.66	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-67.1	-20.8	176.3	0	0	0	0	0	114.2	S417 F421	S417-G419 PolarHBondContact O-N 3.18Å; S417-G419 VanDerWaalsContact O-N 3.09Å; G419-F421 PolarHBondContact O-N 3.42Å
420	S	57.2	Low	68.1	Low	25 Å²	25	67.3 Å²	67.3	18%	0.175	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-67.5	-20.8	-178.3	-168.9	0	0	0	0	113.5	Q372 S417 Q418	Q372-S420 PolarHBondContact NE2-OG 2.98Å; S417-S420 VanDerWaalsContact O-CB 3.24Å; S417-S420 WeakPolarHBondContact O-CB 3.29Å; S417-S420 PolarHBondContact O-N 2.87Å; Q418-S420 PolarHBondContact O-N 3.33Å
421	F	50.5	Low	67.1	Low	29 Å²	29	70.1 Å²	70.1	13%	0.127	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-109.3	-0	-171.5	-59.7	-76.2	0	0	0	114.8	L396 L413 L416 G419 N423 I424 N425	L396-F421 HydrophobicContact CD2-CE1 4.23Å; L413-F421 HydrophobicContact CD1-CD1 4.17Å; L413-F421 HydrophobicContact CD1-CD2 3.88Å; L413-F421 HydrophobicContact CD1-CE1 3.6Å; L413-F421 HydrophobicContact CD1-CE2 3.26Å; L413-F421 HydrophobicContact CD1-CG 4.28Å; L413-F421 HydrophobicContact CD1-CZ 3.09Å; L416-F421 HydrophobicContact CB-CE2 3.56Å; L416-F421 HydrophobicContact CB-CZ 3.69Å; L416-F421 HydrophobicContact CD1-CE1 4.22Å; L416-F421 HydrophobicContact CD1-CE2 4.2Å; L416-F421 HydrophobicContact CD1-CZ 3.4Å; L416-F421 VanDerWaalsContact CD1-CZ 3.4Å; L416-F421 HydrophobicContact CG-CZ 4.16Å; G419-F421 PolarHBondContact O-N 3.42Å; F421-N423 PolarHBondContact O-N 3.22Å; F421-I424 HydrophobicContact CD1-CD1 3.87Å; F421-I424 HydrophobicContact CE1-CD1 4.43Å; F421-I424 PolarHBondContact O-N 3.2Å; F421-N425 PolarHBondContact O-N 3.02Å
422	A	46.2	Very low	66.2	Low	54 Å²	54	73.2 Å²	73.2	45%	0.446	40%	0.399	S	S	.	.	H	α-helix	trans	-57.4	-22.7	180	0	0	0	0	0	112.3	R426	A422-R426 WeakPolarHBondContact O-CD 3.38Å; A422-R426 WeakPolarHBondContact O-CG 3.45Å
423	N	43.5	Very low	65.4	Low	107 Å²	107	76.9 Å²	76.9	57%	0.572	42%	0.418	S	S	*	.	H	α-helix	trans	-78.3	-38.7	175.6	-73.8	-12.1	0	0	0	113.8	F421 R426 L427	F421-N423 PolarHBondContact O-N 3.22Å; N423-R426 PolarHBondContact O-N 3.07Å; N423-L427 PolarHBondContact O-N 2.77Å
424	I	46.2	Very low	64.5	Low	67 Å²	67	78.8 Å²	78.8	34%	0.344	42%	0.423	S	S	.	.	H	α-helix	trans	-67.4	-45.3	-177.2	-56.4	-173.6	0	0	0	110.8	F421 R426 L427	F421-I424 HydrophobicContact CD1-CD1 3.87Å; F421-I424 HydrophobicContact CE1-CD1 4.43Å; F421-I424 PolarHBondContact O-N 3.2Å; I424-R426 VanDerWaalsContact C-N 3.28Å; I424-R426 PolarHBondContact O-N 3.12Å; I424-L427 PolarHBondContact O-N 3.33Å
425	N	41.3	Very low	63.9	Low	104 Å²	104	82.4 Å²	82.4	56%	0.556	43%	0.433	S	S	*	.	H	α-helix	trans	-68.6	-25.9	177.8	-78.6	-27.6	0	0	0	113	F421 I429	F421-N425 PolarHBondContact O-N 3.02Å; N425-I429 WeakPolarHBondContact O-CB 3.38Å; N425-I429 WeakPolarHBondContact O-CD1 3.32Å; N425-I429 WeakPolarHBondContact O-CG1 3.45Å; N425-I429 PolarHBondContact O-N 3.26Å
426	R	44.9	Very low	63.3	Low	127 Å²	127	86.5 Å²	86.5	48%	0.479	45%	0.453	S	S	.	.	H	α-helix	trans	-65.2	-42	176.6	-86.7	176.3	179.3	-153.2	1.5	111.7	A422 N423 I424 I429 I430	A422-R426 WeakPolarHBondContact O-CD 3.38Å; A422-R426 WeakPolarHBondContact O-CG 3.45Å; N423-R426 PolarHBondContact O-N 3.07Å; I424-R426 VanDerWaalsContact C-N 3.28Å; I424-R426 PolarHBondContact O-N 3.12Å; R426-I429 PolarHBondContact O-N 3.13Å; R426-I430 WeakPolarHBondContact O-CB 3.46Å; R426-I430 WeakPolarHBondContact O-CD1 3.44Å; R426-I430 WeakPolarHBondContact O-CG1 3.44Å; R426-I430 PolarHBondContact O-N 3.44Å
427	L	49.2	Very low	62.6	Low	118 Å²	118	88.7 Å²	88.7	62%	0.618	47%	0.465	S	S	*	.	H	α-helix	trans	-63.9	-45.4	178.5	-87.6	143.3	0	0	0	112.2	N423 I424 I430 F431	N423-L427 PolarHBondContact O-N 2.77Å; I424-L427 PolarHBondContact O-N 3.33Å; L427-I430 PolarHBondContact O-N 3.43Å; L427-F431 PolarHBondContact O-N 2.85Å
428	S	55.5	Low	62.2	Low	62 Å²	62	91.8 Å²	91.8	43%	0.434	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-41.7	177.2	-51.6	0	0	0	0	112.2	F431 I432	S428-F431 PolarHBondContact O-N 2.66Å; S428-I432 WeakPolarHBondContact O-CB 3.47Å; S428-I432 VanDerWaalsContact O-CG1 3.25Å; S428-I432 WeakPolarHBondContact O-CG1 3Å; S428-I432 PolarHBondContact O-N 3.4Å
429	I	60.6	Low	62.5	Low	91 Å²	91	85 Å²	85	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-64.7	-41.5	176.2	-69.4	167.5	0	0	0	110.6	N425 R426 F431 I432 I433	N425-I429 WeakPolarHBondContact O-CB 3.38Å; N425-I429 WeakPolarHBondContact O-CD1 3.32Å; N425-I429 WeakPolarHBondContact O-CG1 3.45Å; N425-I429 PolarHBondContact O-N 3.26Å; R426-I429 PolarHBondContact O-N 3.13Å; I429-F431 VanDerWaalsContact C-N 3.34Å; I429-F431 PolarHBondContact O-N 3.18Å; I429-I432 PolarHBondContact O-N 3.03Å; I429-I433 HydrophobicContact CG2-CD1 3.54Å; I429-I433 HydrophobicContact CG2-CG1 4.2Å; I429-I433 VanDerWaalsContact O-CB 3.31Å; I429-I433 WeakPolarHBondContact O-CB 3.47Å; I429-I433 WeakPolarHBondContact O-CG1 3.41Å; I429-I433 PolarHBondContact O-N 2.82Å
430	I	65.3	Low	63.4	Low	67 Å²	67	86.5 Å²	86.5	34%	0.344	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-42.9	175.2	-70.6	163.1	0	0	0	110.6	R426 L427 I433 K434	R426-I430 WeakPolarHBondContact O-CB 3.46Å; R426-I430 WeakPolarHBondContact O-CD1 3.44Å; R426-I430 WeakPolarHBondContact O-CG1 3.44Å; R426-I430 PolarHBondContact O-N 3.44Å; L427-I430 PolarHBondContact O-N 3.43Å; I430-I433 PolarHBondContact O-N 3.38Å; I430-K434 HydrophobicContact CG2-CD 3.99Å; I430-K434 HydrophobicContact CG2-CG 4.29Å; I430-K434 VanDerWaalsContact O-CB 3.32Å; I430-K434 WeakPolarHBondContact O-CB 3.41Å; I430-K434 VanDerWaalsContact O-CG 3.27Å; I430-K434 WeakPolarHBondContact O-CG 3.28Å; I430-K434 PolarHBondContact O-N 2.79Å
431	F	69.7	Low	64.4	Low	153 Å²	153	90.2 Å²	90.2	67%	0.671	46%	0.456	S	S	*	.	H	α-helix	trans	-65.5	-43.2	178.6	-125.1	-83	0	0	0	112.1	L427 S428 I429 K434 F435	L427-F431 PolarHBondContact O-N 2.85Å; S428-F431 PolarHBondContact O-N 2.66Å; I429-F431 VanDerWaalsContact C-N 3.34Å; I429-F431 PolarHBondContact O-N 3.18Å; F431-K434 PolarHBondContact O-N 3.25Å; F431-F435 VanDerWaalsContact O-CB 3.29Å; F431-F435 WeakPolarHBondContact O-CB 3.44Å; F431-F435 PolarHBondContact O-N 3.15Å
432	I	75.2	Confident	65.7	Low	99 Å²	99	92.6 Å²	92.6	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-62.6	-45.2	175.1	-69.4	165.1	0	0	0	110.3	S428 I429 F435 I436	S428-I432 WeakPolarHBondContact O-CB 3.47Å; S428-I432 VanDerWaalsContact O-CG1 3.25Å; S428-I432 WeakPolarHBondContact O-CG1 3Å; S428-I432 PolarHBondContact O-N 3.4Å; I429-I432 PolarHBondContact O-N 3.03Å; I432-F435 PolarHBondContact O-N 3.11Å; I432-I436 HydrophobicContact CG2-CD1 3.6Å; I432-I436 HydrophobicContact CG2-CG1 4.3Å; I432-I436 WeakPolarHBondContact O-CB 3.44Å; I432-I436 WeakPolarHBondContact O-CG1 3.12Å; I432-I436 PolarHBondContact O-N 3.37Å
433	I	75.7	Confident	67.3	Low	77 Å²	77	93.7 Å²	93.7	40%	0.395	47%	0.47	S	S	.	.	H	α-helix	trans	-62.5	-45.2	176.8	-70.9	170.1	0	0	0	110.4	I429 I430 F435 I436 I437	I429-I433 HydrophobicContact CG2-CD1 3.54Å; I429-I433 HydrophobicContact CG2-CG1 4.2Å; I429-I433 VanDerWaalsContact O-CB 3.31Å; I429-I433 WeakPolarHBondContact O-CB 3.47Å; I429-I433 WeakPolarHBondContact O-CG1 3.41Å; I429-I433 PolarHBondContact O-N 2.82Å; I430-I433 PolarHBondContact O-N 3.38Å; I433-F435 PolarHBondContact O-N 2.96Å; I433-I436 PolarHBondContact O-N 2.72Å; I433-I437 HydrophobicContact CG2-CD1 3.57Å; I433-I437 HydrophobicContact CG2-CG1 4.28Å; I433-I437 WeakPolarHBondContact O-CB 3.4Å; I433-I437 WeakPolarHBondContact O-CG1 3.46Å; I433-I437 PolarHBondContact O-N 3.35Å
434	K	74.7	Confident	68.9	Low	112 Å²	112	94.9 Å²	94.9	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-60.1	-44.6	175.7	-78.3	179.9	178.2	-175.6	0	111.4	I430 F431 I437 L438	I430-K434 HydrophobicContact CG2-CD 3.99Å; I430-K434 HydrophobicContact CG2-CG 4.29Å; I430-K434 VanDerWaalsContact O-CB 3.32Å; I430-K434 WeakPolarHBondContact O-CB 3.41Å; I430-K434 VanDerWaalsContact O-CG 3.27Å; I430-K434 WeakPolarHBondContact O-CG 3.28Å; I430-K434 PolarHBondContact O-N 2.79Å; F431-K434 PolarHBondContact O-N 3.25Å; K434-I437 PolarHBondContact O-N 3.41Å; K434-L438 VanDerWaalsContact O-CB 3.26Å; K434-L438 WeakPolarHBondContact O-CB 3.41Å; K434-L438 PolarHBondContact O-N 2.82Å
435	F	78.3	Confident	70.5	Confident	140 Å²	140	95.3 Å²	95.3	61%	0.614	48%	0.475	S	S	*	.	H	α-helix	trans	-65.4	-42.8	178.3	-172.9	-93.2	0	0	0	111.9	F431 I432 I433 L438 S439	F431-F435 VanDerWaalsContact O-CB 3.29Å; F431-F435 WeakPolarHBondContact O-CB 3.44Å; F431-F435 PolarHBondContact O-N 3.15Å; I432-F435 PolarHBondContact O-N 3.11Å; I433-F435 PolarHBondContact O-N 2.96Å; F435-L438 PolarHBondContact O-N 2.65Å; F435-S439 VanDerWaalsContact O-CB 3.22Å; F435-S439 WeakPolarHBondContact O-CB 3.49Å; F435-S439 PolarHBondContact O-N 2.76Å; F435-S439 PolarHBondContact O-OG 3.3Å
436	I	79.8	Confident	72.3	Confident	86 Å²	86	93 Å²	93	44%	0.441	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-46	176	-70.8	169.3	0	0	0	110.3	I432 I433 S439 I440	I432-I436 HydrophobicContact CG2-CD1 3.6Å; I432-I436 HydrophobicContact CG2-CG1 4.3Å; I432-I436 WeakPolarHBondContact O-CB 3.44Å; I432-I436 WeakPolarHBondContact O-CG1 3.12Å; I432-I436 PolarHBondContact O-N 3.37Å; I433-I436 PolarHBondContact O-N 2.72Å; I436-S439 PolarHBondContact O-N 2.86Å; I436-I440 HydrophobicContact CG2-CD1 3.7Å; I436-I440 HydrophobicContact CG2-CG1 4.42Å; I436-I440 WeakPolarHBondContact O-CB 3.09Å; I436-I440 VanDerWaalsContact O-CG1 3.25Å; I436-I440 WeakPolarHBondContact O-CG1 3.2Å; I436-I440 PolarHBondContact O-N 2.96Å
437	I	79.4	Confident	73.3	Confident	56 Å²	56	90.9 Å²	90.9	29%	0.287	47%	0.473	S	S	.	.	H	α-helix	trans	-63	-45.6	178.5	-69.8	169.6	0	0	0	110.7	F10 I433 K434 S439 I440 F441	F10-I437 HydrophobicContact CE2-CD1 4.14Å; I433-I437 HydrophobicContact CG2-CD1 3.57Å; I433-I437 HydrophobicContact CG2-CG1 4.28Å; I433-I437 WeakPolarHBondContact O-CB 3.4Å; I433-I437 WeakPolarHBondContact O-CG1 3.46Å; I433-I437 PolarHBondContact O-N 3.35Å; K434-I437 PolarHBondContact O-N 3.41Å; I437-S439 VanDerWaalsContact C-N 3.32Å; I437-S439 PolarHBondContact O-N 2.71Å; I437-I440 PolarHBondContact O-N 3.34Å; I437-F441 WeakPolarHBondContact O-CB 3.06Å; I437-F441 PolarHBondContact O-N 3.26Å
438	L	79.2	Confident	74.1	Confident	102 Å²	102	92.6 Å²	92.6	53%	0.534	47%	0.472	S	S	.	.	H	α-helix	trans	-62	-43.3	177.7	-172.3	65.8	0	0	0	110.8	K434 F435 F441 M442	K434-L438 VanDerWaalsContact O-CB 3.26Å; K434-L438 WeakPolarHBondContact O-CB 3.41Å; K434-L438 PolarHBondContact O-N 2.82Å; F435-L438 PolarHBondContact O-N 2.65Å; L438-F441 WeakPolarHBondContact O-CB 3.3Å; L438-F441 PolarHBondContact O-N 3.42Å; L438-M442 WeakPolarHBondContact O-CG 3.47Å; L438-M442 PolarHBondContact O-N 3.33Å
439	S	78.6	Confident	73.9	Confident	44 Å²	44	104 Å²	104	31%	0.308	51%	0.508	S	S	.	.	H	α-helix	trans	-60.2	-49.7	176.5	-61.2	0	0	0	0	111	F435 I436 I437 F441 M442 V443	F435-S439 VanDerWaalsContact O-CB 3.22Å; F435-S439 WeakPolarHBondContact O-CB 3.49Å; F435-S439 PolarHBondContact O-N 2.76Å; F435-S439 PolarHBondContact O-OG 3.3Å; I436-S439 PolarHBondContact O-N 2.86Å; I437-S439 VanDerWaalsContact C-N 3.32Å; I437-S439 PolarHBondContact O-N 2.71Å; S439-F441 VanDerWaalsContact C-N 3.3Å; S439-F441 PolarHBondContact O-N 3.37Å; S439-M442 PolarHBondContact O-N 2.82Å; S439-V443 WeakPolarHBondContact O-CG2 3.48Å; S439-V443 PolarHBondContact O-N 2.69Å
440	I	79.8	Confident	74.6	Confident	97 Å²	97	104.7 Å²	104.7	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-59.3	-41.4	175.9	-68.2	166.4	0	0	0	111.1	I436 I437 V443 H444	I436-I440 HydrophobicContact CG2-CD1 3.7Å; I436-I440 HydrophobicContact CG2-CG1 4.42Å; I436-I440 WeakPolarHBondContact O-CB 3.09Å; I436-I440 VanDerWaalsContact O-CG1 3.25Å; I436-I440 WeakPolarHBondContact O-CG1 3.2Å; I436-I440 PolarHBondContact O-N 2.96Å; I437-I440 PolarHBondContact O-N 3.34Å; I440-V443 PolarHBondContact O-N 3.25Å; I440-H444 WeakPolarHBondContact O-CB 3.37Å; I440-H444 PolarHBondContact O-N 3.21Å
441	F	78.1	Confident	75	Confident	103 Å²	103	106.7 Å²	106.7	45%	0.452	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-43.6	177.5	-175.9	-93.1	0	0	0	111.9	I437 L438 S439 H444 N445 L447	I437-F441 WeakPolarHBondContact O-CB 3.06Å; I437-F441 PolarHBondContact O-N 3.26Å; L438-F441 WeakPolarHBondContact O-CB 3.3Å; L438-F441 PolarHBondContact O-N 3.42Å; S439-F441 VanDerWaalsContact C-N 3.3Å; S439-F441 PolarHBondContact O-N 3.37Å; F441-H444 PolarHBondContact O-N 3.09Å; F441-N445 WeakPolarHBondContact CD2-ND2 3.42Å; F441-N445 VanDerWaalsContact CE2-ND2 3.33Å; F441-N445 WeakPolarHBondContact CE2-ND2 3.29Å; F441-N445 WeakPolarHBondContact CZ-ND2 3.27Å; F441-N445 PolarHBondContact O-N 2.97Å; F441-N445 VanDerWaalsContact O-N 3.13Å; F441-N445 PolarHBondContact O-ND2 3.47Å; F441-L447 HydrophobicContact CE1-CD1 4.31Å
442	M	79.4	Confident	75.3	Confident	78 Å²	78	104.1 Å²	104.1	38%	0.384	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-42.4	176.3	-69.2	-170.1	95.7	0	0	111.6	L438 S439 H444 N445 G446 L447	L438-M442 WeakPolarHBondContact O-CG 3.47Å; L438-M442 PolarHBondContact O-N 3.33Å; S439-M442 PolarHBondContact O-N 2.82Å; M442-H444 PolarHBondContact O-N 3.06Å; M442-N445 PolarHBondContact O-N 2.84Å; M442-G446 PolarHBondContact O-N 2.79Å; M442-L447 HydrophobicContact CB-CB 4.32Å; M442-L447 HydrophobicContact CE-CB 4.13Å; M442-L447 WeakPolarHBondContact CE-O 3.28Å; M442-L447 HydrophobicContact CG-CB 4.42Å; M442-L447 PolarHBondContact O-N 3.2Å
443	V	79.2	Confident	75.3	Confident	78 Å²	78	104.4 Å²	104.4	47%	0.473	51%	0.51	S	S	.	.	H	α-helix	trans	-58.5	-49.4	176.5	-174.7	0	0	0	0	111	S439 I440 N445 G446 Y448	S439-V443 WeakPolarHBondContact O-CG2 3.48Å; S439-V443 PolarHBondContact O-N 2.69Å; I440-V443 PolarHBondContact O-N 3.25Å; V443-N445 PolarHBondContact O-N 3.39Å; V443-G446 PolarHBondContact O-N 3.48Å; V443-Y448 HydrophobicContact CB-CE2 4.22Å; V443-Y448 HydrophobicContact CG1-CE2 4.2Å; V443-Y448 HydrophobicContact CG2-CE2 4.38Å; V443-Y448 WeakPolarHBondContact CG2-OH 3.21Å
444	H	76.3	Confident	75.3	Confident	132 Å²	132	106.1 Å²	106.1	61%	0.611	52%	0.518	S	S	*	.	H	α-helix	trans	-71.2	-31	-173	-167.9	66.3	0	0	0	113.2	I440 F441 M442	I440-H444 WeakPolarHBondContact O-CB 3.37Å; I440-H444 PolarHBondContact O-N 3.21Å; F441-H444 PolarHBondContact O-N 3.09Å; M442-H444 PolarHBondContact O-N 3.06Å
445	N	81.4	Confident	75.4	Confident	76 Å²	76	105.7 Å²	105.7	41%	0.406	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.6	179.3	-68.7	-80.8	0	0	0	113.5	F441 M442 V443 L447	F441-N445 WeakPolarHBondContact CD2-ND2 3.42Å; F441-N445 VanDerWaalsContact CE2-ND2 3.33Å; F441-N445 WeakPolarHBondContact CE2-ND2 3.29Å; F441-N445 WeakPolarHBondContact CZ-ND2 3.27Å; F441-N445 PolarHBondContact O-N 2.97Å; F441-N445 VanDerWaalsContact O-N 3.13Å; F441-N445 PolarHBondContact O-ND2 3.47Å; M442-N445 PolarHBondContact O-N 2.84Å; V443-N445 PolarHBondContact O-N 3.39Å; N445-L447 HydrophobicContact CB-CD1 4.1Å; N445-L447 HydrophobicContact CB-CG 4.16Å; N445-L447 PolarHBondContact O-N 2.73Å
446	G	77.2	Confident	75.2	Confident	55 Å²	55	103.3 Å²	103.3	57%	0.567	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	25	-178.7	0	0	0	0	0	113.4	M442 V443 Y448	M442-G446 PolarHBondContact O-N 2.79Å; V443-G446 PolarHBondContact O-N 3.48Å; G446-Y448 PolarHBondContact O-N 2.54Å
447	L	66.8	Low	74.8	Confident	82 Å²	82	104.6 Å²	104.6	43%	0.429	52%	0.519	S	S	.	.			trans	-82.6	61.7	175.6	-67.8	167	0	0	0	109.2	F441 M442 N445	F441-L447 HydrophobicContact CE1-CD1 4.31Å; M442-L447 HydrophobicContact CB-CB 4.32Å; M442-L447 HydrophobicContact CE-CB 4.13Å; M442-L447 WeakPolarHBondContact CE-O 3.28Å; M442-L447 HydrophobicContact CG-CB 4.42Å; M442-L447 PolarHBondContact O-N 3.2Å; N445-L447 HydrophobicContact CB-CD1 4.1Å; N445-L447 HydrophobicContact CB-CG 4.16Å; N445-L447 PolarHBondContact O-N 2.73Å
448	Y	65.1	Low	74.4	Confident	154 Å²	154	108.7 Å²	108.7	60%	0.604	54%	0.538	S	S	*	.			trans	-110.2	120.8	163.6	-68.2	-77.8	0	0	0	106.8	V443 G446	V443-Y448 HydrophobicContact CB-CE2 4.22Å; V443-Y448 HydrophobicContact CG1-CE2 4.2Å; V443-Y448 HydrophobicContact CG2-CE2 4.38Å; V443-Y448 WeakPolarHBondContact CG2-OH 3.21Å; G446-Y448 PolarHBondContact O-N 2.54Å
449	Y	51.9	Low	74	Confident	303 Å²	303	109.3 Å²	109.3	100%	1.188	54%	0.538	S	S	*	.			trans	-81.2	0	165	-81.9	-79.2	0	0	0	110

Retrieved 449 of 449 residues in 779.1 ms (Link to these results)

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