A0A077ZHB9_TRITR Loading...

GTP binding protein ypt7

AlphaFold DB , UniProt , Accession A0A077ZHB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 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	35.8	Very low	60.7	Low	222 Å²	222	73.8 Å²	73.8	100%	1.094	36%	0.362	S	S	*	.				0	103.1	0	-159.5	176.3	-167.3	0	0	106.7
2	A	35.3	Very low	62.8	Low	80 Å²	80	67.7 Å²	67.7	66%	0.661	33%	0.332	S	S	*	.			trans	-105.2	101.1	-177.6	0	0	0	0	0	108.7	R4	A2-R4 PolarHBondContact O-N 3.26Å
3	I	43.1	Very low	64.7	Low	85 Å²	85	62.5 Å²	62.5	44%	0.436	31%	0.306	S	S	.	.			trans	-67.4	100.7	169.3	-63.3	167.2	0	0	0	106.1	R6 V81 F219	I3-R6 HydrophobicContact CG2-CB 4.37Å; I3-V81 HydrophobicContact CG2-CB 4.02Å; I3-V81 HydrophobicContact CG2-CG1 4.07Å; I3-V81 HydrophobicContact CG2-CG2 3.72Å; I3-F219 HydrophobicContact CB-CZ 4.28Å; I3-F219 HydrophobicContact CG1-CE1 4.09Å; I3-F219 HydrophobicContact CG1-CZ 3.94Å; I3-F219 HydrophobicContact CG2-CZ 4.23Å
4	R	46	Very low	66.2	Low	169 Å²	169	58.3 Å²	58.3	64%	0.638	29%	0.286	S	S	*	.			trans	-81.3	-26.3	-173	-83.4	-167.6	174.8	-172.8	0.7	114.4	A2 D216	A2-R4 PolarHBondContact O-N 3.26Å; R4-D216 IonicContact NH1-OD2 3.48Å
5	H	53.3	Low	67.7	Low	70 Å²	70	54.4 Å²	54.4	32%	0.324	27%	0.267	S	S	.	.			trans	-134.2	90.1	-178.8	-122.4	-88.6	0	0	0	112.1	S211	H5-S211 PolarHBondContact CE1-OG 2.99Å
6	R	62.7	Low	68.9	Low	102 Å²	102	52.9 Å²	52.9	39%	0.385	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.9	172.6	-164.7	173.2	-168.1	-157	-10.6	108.2	I3 E49 V81 Q83	I3-R6 HydrophobicContact CG2-CB 4.37Å; R6-E49 IonicContact CZ-OE2 3.24Å; R6-E49 IonicContact NH1-OE2 2.94Å; R6-E49 PolarHBondContact NH1-OE2 3.42Å; R6-E49 IonicContact NH2-OE2 3.1Å; R6-E49 PolarHBondContact NH2-OE2 2.66Å; R6-E49 VanDerWaalsContact NH2-OE2 3.08Å; R6-V81 HydrophobicContact CB-CG1 4.41Å; R6-V81 HydrophobicContact CG-CB 4.3Å; R6-V81 HydrophobicContact CG-CG1 3.69Å; R6-Q83 HydrophobicContact CG-CG 4.15Å; R6-Q83 VanDerWaalsContact NH2-CD 3.27Å
7	Q	68.7	Low	69.8	Low	12 Å²	12	60.5 Å²	60.5	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.2	175.4	-67.8	-166.4	58.6	0	0	109.1	Y9 I80 V81 F82 Q83	Q7-Y9 HydrophobicContact CB-CD2 4.25Å; Q7-Y9 HydrophobicContact CB-CE2 3.49Å; Q7-Y9 VanDerWaalsContact CB-CE2 3.49Å; Q7-Y9 WeakPolarHBondContact O-CD2 3.48Å; Q7-Y9 PolarHBondContact OE1-OH 3.23Å; Q7-I80 HydrophobicContact CB-CG2 4.3Å; Q7-I80 HydrophobicContact CG-CG2 4.45Å; Q7-V81 PolarHBondContact N-O 2.79Å; Q7-F82 WeakPolarHBondContact O-CA 3.41Å; Q7-Q83 PolarHBondContact O-N 2.87Å
8	V	72.1	Confident	70.7	Confident	45 Å²	45	59.5 Å²	59.5	27%	0.273	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.2	179.1	-164.8	0	0	0	0	108.9	Q83 Q85 K210	V8-Q83 HydrophobicContact CB-CB 4.34Å; V8-Q83 HydrophobicContact CG1-CB 3.83Å; V8-Q85 HydrophobicContact CG1-CG 4.35Å; V8-K210 VanDerWaalsContact O-CE 3.32Å; V8-K210 WeakPolarHBondContact O-CE 3.31Å; V8-K210 PolarHBondContact O-NZ 3.01Å
9	Y	80.3	Confident	71.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.9	175.1	-65.6	-96	0	0	0	110.4	Q7 F82 Q83 L84 Q85 N107 L204 C208	Q7-Y9 HydrophobicContact CB-CD2 4.25Å; Q7-Y9 HydrophobicContact CB-CE2 3.49Å; Q7-Y9 VanDerWaalsContact CB-CE2 3.49Å; Q7-Y9 WeakPolarHBondContact O-CD2 3.48Å; Q7-Y9 PolarHBondContact OE1-OH 3.23Å; Y9-F82 HydrophobicContact CD1-CE2 4.29Å; Y9-F82 AromaticContact CD2-CD2 3.06Å; Y9-F82 HydrophobicContact CD2-CD2 3.06Å; Y9-F82 AromaticContact CD2-CE2 3.19Å; Y9-F82 HydrophobicContact CD2-CE2 3.19Å; Y9-F82 HydrophobicContact CD2-CG 4.08Å; Y9-F82 HydrophobicContact CD2-CZ 4.27Å; Y9-F82 AromaticContact CE2-CD2 3.64Å; Y9-F82 HydrophobicContact CE2-CD2 3.64Å; Y9-F82 HydrophobicContact CE2-CE2 4.06Å; Y9-F82 AromaticContact CG-CD2 3.75Å; Y9-F82 HydrophobicContact CG-CD2 3.75Å; Y9-F82 AromaticContact CG-CE2 3.32Å; Y9-F82 HydrophobicContact CG-CE2 3.32Å; Y9-F82 HydrophobicContact CG-CZ 4.21Å; Y9-Q83 CarbonylContact C-O 3.44Å; Y9-Q83 PolarHBondContact N-O 2.71Å; Y9-L84 WeakPolarHBondContact O-CA 3.41Å; Y9-Q85 PolarHBondContact O-N 3.13Å; Y9-N107 VanDerWaalsContact CA-OD1 3.31Å; Y9-N107 WeakPolarHBondContact CA-OD1 3.16Å; Y9-N107 HydrophobicContact CD1-CB 3.84Å; Y9-L204 HydrophobicContact CD1-CB 3.99Å; Y9-L204 HydrophobicContact CE1-CB 4.43Å; Y9-L204 WeakPolarHBondContact CE1-O 3.38Å; Y9-L204 HydrophobicContact CG-CB 4.35Å; Y9-C208 HydrophobicContact CD1-CB 4.21Å; Y9-C208 HydrophobicContact CE1-CB 3.76Å; Y9-C208 VanDerWaalsContact CE1-O 3.27Å; Y9-C208 WeakPolarHBondContact CE1-O 3.26Å; Y9-C208 PolarHBondContact OH-O 2.95Å
10	K	82.6	Confident	72.6	Confident	27 Å²	27	54.1 Å²	54.1	12%	0.117	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.2	-178.9	179.8	175.9	173.3	-176.4	0	110.1	V12 Y102 K104 N107 G108	K10-V12 HydrophobicContact CG-CG2 4.45Å; K10-Y102 WeakPolarHBondContact CE-O 3.33Å; K10-Y102 PolarHBondContact NZ-O 3.3Å; K10-K104 PolarHBondContact NZ-O 3.08Å; K10-N107 PolarHBondContact N-OD1 2.84Å; K10-N107 PolarHBondContact O-N 3Å; K10-G108 PolarHBondContact O-N 3.26Å
11	L	87.3	Confident	73.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.7	174.1	-179.8	77.6	0	0	0	109.8	L84 Q85 L86 W87 G108 L110 F141 F197 I200	L11-L84 HydrophobicContact CB-CD1 3.31Å; L11-L84 HydrophobicContact CB-CD2 4.35Å; L11-L84 HydrophobicContact CB-CG 3.77Å; L11-L84 HydrophobicContact CD2-CD1 3.86Å; L11-L84 HydrophobicContact CD2-CD2 3.75Å; L11-L84 HydrophobicContact CD2-CG 4.12Å; L11-L84 HydrophobicContact CG-CD1 4.15Å; L11-Q85 CarbonylContact C-O 3.57Å; L11-Q85 PolarHBondContact N-O 3.05Å; L11-L86 HydrophobicContact CB-CD1 4.33Å; L11-L86 HydrophobicContact CD2-CD1 3.82Å; L11-L86 HydrophobicContact CG-CD1 4.26Å; L11-L86 WeakPolarHBondContact O-CA 3.32Å; L11-W87 PolarHBondContact O-N 2.88Å; L11-G108 WeakPolarHBondContact CA-O 3.34Å; L11-L110 HydrophobicContact CD1-CB 4.2Å; L11-L110 HydrophobicContact CD2-CB 4.26Å; L11-L110 HydrophobicContact CG-CB 4.35Å; L11-F141 HydrophobicContact CD1-CD2 4.31Å; L11-F197 HydrophobicContact CD2-CD1 4.38Å; L11-F197 HydrophobicContact CD2-CE1 4.06Å; L11-I200 HydrophobicContact CD1-CG2 4.03Å; L11-I200 HydrophobicContact CD2-CD1 4.3Å; L11-I200 HydrophobicContact CD2-CG2 4.11Å
12	V	85.9	Confident	75.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138	179	175.5	0	0	0	0	109.9	K10 W87 Y102 F103 S106 G108 V109 L110	K10-V12 HydrophobicContact CG-CG2 4.45Å; V12-W87 HydrophobicContact CB-CB 4.4Å; V12-W87 HydrophobicContact CG1-CB 4.17Å; V12-W87 HydrophobicContact CG2-CB 4.02Å; V12-W87 HydrophobicContact CG2-CG 4.12Å; V12-Y102 WeakPolarHBondContact CG2-O 3.39Å; V12-F103 HydrophobicContact CB-CD1 4.2Å; V12-F103 HydrophobicContact CB-CE1 4.15Å; V12-F103 HydrophobicContact CG1-CD1 3.9Å; V12-F103 HydrophobicContact CG1-CE1 3.6Å; V12-F103 HydrophobicContact CG1-CZ 4.02Å; V12-S106 WeakPolarHBondContact CG2-OG 3.28Å; V12-G108 PolarHBondContact N-O 2.77Å; V12-G108 VanDerWaalsContact N-O 3.12Å; V12-V109 WeakPolarHBondContact O-CA 3.47Å; V12-L110 PolarHBondContact O-N 2.81Å
13	L	87.7	Confident	78.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.1	168.8	-77.7	67.3	0	0	0	109	K21 L24 L86 W87 L110 V112	L13-K21 HydrophobicContact CB-CB 4.33Å; L13-K21 HydrophobicContact CB-CD 4.22Å; L13-K21 HydrophobicContact CB-CG 4.32Å; L13-K21 HydrophobicContact CD2-CB 3.93Å; L13-K21 HydrophobicContact CD2-CG 4.45Å; L13-L24 HydrophobicContact CD2-CB 3.95Å; L13-L24 HydrophobicContact CD2-CD1 4.04Å; L13-L86 HydrophobicContact CD1-CD1 3.04Å; L13-L86 HydrophobicContact CD1-CD2 3.83Å; L13-L86 HydrophobicContact CD1-CG 3.22Å; L13-L86 HydrophobicContact CD2-CD2 4.42Å; L13-L86 HydrophobicContact CG-CD1 4.45Å; L13-W87 PolarHBondContact N-O 3.38Å; L13-L110 WeakPolarHBondContact CA-O 3.45Å; L13-L110 HydrophobicContact CG-CD2 4.4Å; L13-V112 HydrophobicContact CD2-CG2 4.34Å; L13-V112 HydrophobicContact CG-CG2 4.28Å
14	C	86.3	Confident	80.3	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.027	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	166.4	172.3	58.8	0	0	0	0	110.5	F103 V109 L110 V112	C14-F103 HydrophobicContact CB-CE1 4.38Å; C14-F103 HydrophobicContact CB-CZ 3.76Å; C14-V109 WeakPolarHBondContact SG-CG1 3.37Å; C14-L110 PolarHBondContact N-O 3.28Å; C14-V112 PolarHBondContact O-N 2.85Å
15	G	88.2	Confident	82	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	127.6	174.3	-170.1	0	0	0	0	0	111.8	K21	G15-K21 PolarHBondContact O-NZ 3.23Å
16	D	86.9	Confident	83.5	Confident	31 Å²	31	26.8 Å²	26.8	17%	0.166	13%	0.134	C	C	.	.			trans	-64.2	163.2	-172.4	-81.6	7.3	0	0	0	114.6	V19 K21 S120 N123 H127	D16-V19 HydrophobicContact CB-CG1 3.85Å; D16-V19 WeakPolarHBondContact O-CG2 3.38Å; D16-K21 PolarHBondContact O-NZ 3.01Å; D16-S120 WeakPolarHBondContact OD2-CA 3.31Å; D16-N123 PolarHBondContact OD2-ND2 3.11Å; D16-H127 IonicContact OD1-CD2 3.65Å; D16-H127 IonicContact OD1-CE1 3.6Å; D16-H127 IonicContact OD1-NE2 3.62Å; D16-H127 PolarHBondContact OD1-NE2 2.89Å
17	Y	83.9	Confident	84.7	Confident	182 Å²	182	23.4 Å²	23.4	71%	0.714	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	144.5	167	-178.8	-94.1	0	0	0	111.2	V19	Y17-V19 PolarHBondContact O-N 3.4Å
18	G	85.8	Confident	85.3	Confident	42 Å²	42	23 Å²	23	43%	0.433	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-8	173.7	0	0	0	0	0	116.5	G20 K146	G18-G20 PolarHBondContact O-N 2.72Å; G18-K146 WeakPolarHBondContact O-CE 3.13Å; G18-K146 PolarHBondContact O-NZ 3.14Å
19	V	90.8	Very high	85.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-67.3	-19.8	177.7	-56.8	0	0	0	0	113.4	D16 Y17 K21 V112 A114 N145	D16-V19 HydrophobicContact CB-CG1 3.85Å; D16-V19 WeakPolarHBondContact O-CG2 3.38Å; Y17-V19 PolarHBondContact O-N 3.4Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.69Å; V19-V112 HydrophobicContact CB-CG1 4.27Å; V19-V112 HydrophobicContact CG2-CB 3.96Å; V19-V112 HydrophobicContact CG2-CG1 3.76Å; V19-V112 WeakPolarHBondContact CG2-O 3.41Å; V19-A114 HydrophobicContact CB-CB 4.17Å; V19-A114 HydrophobicContact CG1-CB 4.44Å; V19-N145 PolarHBondContact O-ND2 3.22Å
20	G	89.9	Confident	85.5	Confident	11 Å²	11	28.6 Å²	28.6	11%	0.113	14%	0.141	C	C	.	.	S	Bend	trans	110.1	19.6	175.6	0	0	0	0	0	115.7	G18 S22 S23 L24	G18-G20 PolarHBondContact O-N 2.72Å; G20-S22 PolarHBondContact O-N 2.91Å; G20-S23 CarbonylContact O-C 3.58Å; G20-S23 WeakPolarHBondContact O-CA 3.42Å; G20-S23 WeakPolarHBondContact O-CB 3.49Å; G20-S23 PolarHBondContact O-N 2.85Å; G20-L24 PolarHBondContact O-N 3.21Å
21	K	87.5	Confident	85.6	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-50.9	-53.3	175.3	-57.2	-173.7	-61.3	-86.1	0	113.1	L13 G15 D16 V19 S23 L24 F25 D88 V112	L13-K21 HydrophobicContact CB-CB 4.33Å; L13-K21 HydrophobicContact CB-CD 4.22Å; L13-K21 HydrophobicContact CB-CG 4.32Å; L13-K21 HydrophobicContact CD2-CB 3.93Å; L13-K21 HydrophobicContact CD2-CG 4.45Å; G15-K21 PolarHBondContact O-NZ 3.23Å; D16-K21 PolarHBondContact O-NZ 3.01Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.69Å; K21-S23 PolarHBondContact O-N 3.1Å; K21-L24 WeakPolarHBondContact O-CB 3.47Å; K21-L24 PolarHBondContact O-N 3.21Å; K21-F25 PolarHBondContact O-N 3.4Å; K21-D88 VanDerWaalsContact CB-OD1 3.23Å; K21-D88 WeakPolarHBondContact CB-OD1 3.3Å; K21-D88 WeakPolarHBondContact CE-OD1 3.43Å; K21-V112 HydrophobicContact CG-CB 4.27Å; K21-V112 HydrophobicContact CG-CG2 4.39Å
22	S	82.2	Confident	85.3	Confident	31 Å²	31	39 Å²	39	22%	0.217	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-24	175.9	-24.6	0	0	0	0	113.1	G20 R26 D88	G20-S22 PolarHBondContact O-N 2.91Å; S22-R26 WeakPolarHBondContact O-CB 3.1Å; S22-R26 WeakPolarHBondContact O-CG 2.98Å; S22-R26 PolarHBondContact O-N 3.44Å; S22-R26 PolarHBondContact O-NE 3.39Å; S22-D88 WeakPolarHBondContact CA-OD2 3.39Å; S22-D88 VanDerWaalsContact CB-OD2 3.24Å; S22-D88 WeakPolarHBondContact CB-OD2 3.48Å; S22-D88 PolarHBondContact N-OD2 2.62Å; S22-D88 PolarHBondContact OG-OD2 3.42Å
23	S	88.2	Confident	85.1	Confident	8 Å²	8	41.9 Å²	41.9	6%	0.056	20%	0.204	C	C	.	.	H	α-helix	trans	-76.3	-39.9	174.5	-60.9	0	0	0	0	111.8	G20 K21 F25 R26 R27	G20-S23 CarbonylContact O-C 3.58Å; G20-S23 WeakPolarHBondContact O-CA 3.42Å; G20-S23 WeakPolarHBondContact O-CB 3.49Å; G20-S23 PolarHBondContact O-N 2.85Å; K21-S23 PolarHBondContact O-N 3.1Å; S23-F25 VanDerWaalsContact C-N 3.28Å; S23-R26 PolarHBondContact O-N 2.95Å; S23-R26 PolarHBondContact OG-NH2 2.74Å; S23-R27 WeakPolarHBondContact O-CB 3.36Å; S23-R27 WeakPolarHBondContact O-CG 2.76Å; S23-R27 PolarHBondContact O-N 3.42Å
24	L	89.2	Confident	84.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-44.6	169.6	-79.8	173.4	0	0	0	110.4	L13 G20 K21 R27 F28 L110 V112 V185 C187 V193 M196 F197	L13-L24 HydrophobicContact CD2-CB 3.95Å; L13-L24 HydrophobicContact CD2-CD1 4.04Å; G20-L24 PolarHBondContact O-N 3.21Å; K21-L24 WeakPolarHBondContact O-CB 3.47Å; K21-L24 PolarHBondContact O-N 3.21Å; L24-R27 PolarHBondContact O-N 2.74Å; L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 PolarHBondContact O-N 2.85Å; L24-L110 HydrophobicContact CD1-CD2 4.29Å; L24-V112 HydrophobicContact CD1-CG1 3.88Å; L24-V112 HydrophobicContact CD1-CG2 3.8Å; L24-V185 HydrophobicContact CD2-CG2 4.14Å; L24-C187 WeakPolarHBondContact CD2-SG 3.49Å; L24-C187 VanDerWaalsContact CG-SG 3.52Å; L24-V193 HydrophobicContact CD2-CG1 4.14Å; L24-V193 HydrophobicContact CD2-CG2 4.29Å; L24-M196 HydrophobicContact CD2-CE 3.72Å; L24-F197 HydrophobicContact CB-CZ 4.43Å; L24-F197 HydrophobicContact CD2-CE2 4.47Å
25	F	83.7	Confident	84.2	Confident	12 Å²	12	48.3 Å²	48.3	5%	0.053	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-52.4	174.8	-169.1	-76.7	0	0	0	112.1	K21 S23 R27 F28 V29 D46 Y48 L86	K21-F25 PolarHBondContact O-N 3.4Å; S23-F25 VanDerWaalsContact C-N 3.28Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 3.5Å; F25-F28 WeakPolarHBondContact O-CB 3.49Å; F25-F28 PolarHBondContact O-N 3.44Å; F25-F28 VanDerWaalsContact O-N 3.13Å; F25-V29 HydrophobicContact CD1-CG2 3.96Å; F25-V29 HydrophobicContact CE1-CG2 3.64Å; F25-V29 HydrophobicContact CZ-CG2 4.26Å; F25-V29 WeakPolarHBondContact O-CG2 3.09Å; F25-V29 PolarHBondContact O-N 3.37Å; F25-D46 HydrophobicContact CE1-CB 3.67Å; F25-D46 HydrophobicContact CE2-CB 4.38Å; F25-D46 WeakPolarHBondContact CE2-O 3.46Å; F25-D46 HydrophobicContact CZ-CB 3.52Å; F25-D46 WeakPolarHBondContact CZ-O 3.18Å; F25-Y48 AromaticContact CE1-CD2 3.42Å; F25-Y48 HydrophobicContact CE1-CD2 3.42Å; F25-Y48 VanDerWaalsContact CE1-CD2 3.42Å; F25-Y48 AromaticContact CE1-CE2 3.88Å; F25-Y48 HydrophobicContact CE1-CE2 3.88Å; F25-Y48 HydrophobicContact CE1-CG 4.09Å; F25-Y48 AromaticContact CZ-CD2 3.38Å; F25-Y48 HydrophobicContact CZ-CD2 3.38Å; F25-Y48 HydrophobicContact CZ-CE2 4.18Å; F25-Y48 HydrophobicContact CZ-CG 4.06Å; F25-L86 HydrophobicContact CB-CD2 3.85Å; F25-L86 HydrophobicContact CD2-CB 3.68Å; F25-L86 HydrophobicContact CD2-CD2 3.4Å; F25-L86 VanDerWaalsContact CD2-CD2 3.4Å; F25-L86 HydrophobicContact CD2-CG 3.78Å; F25-L86 HydrophobicContact CE2-CB 3.61Å; F25-L86 HydrophobicContact CE2-CD2 4.17Å; F25-L86 HydrophobicContact CE2-CG 4.24Å; F25-L86 WeakPolarHBondContact CE2-O 3.5Å; F25-L86 HydrophobicContact CG-CD2 3.9Å
26	R	83.1	Confident	83.3	Confident	49 Å²	49	52.8 Å²	52.8	19%	0.185	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-36.6	179	-73.1	174.8	-64	162.2	12.3	112.7	S22 S23 V29 Y30 D31 V34	S22-R26 WeakPolarHBondContact O-CB 3.1Å; S22-R26 WeakPolarHBondContact O-CG 2.98Å; S22-R26 PolarHBondContact O-N 3.44Å; S22-R26 PolarHBondContact O-NE 3.39Å; S23-R26 PolarHBondContact O-N 2.95Å; S23-R26 PolarHBondContact OG-NH2 2.74Å; R26-V29 PolarHBondContact O-N 2.93Å; R26-Y30 WeakPolarHBondContact O-CB 3.21Å; R26-Y30 PolarHBondContact O-N 2.68Å; R26-D31 PolarHBondContact O-N 3Å; R26-V34 PolarHBondContact NH1-O 2.95Å; R26-V34 PolarHBondContact NH2-O 2.85Å
27	R	87.6	Confident	81.9	Confident	32 Å²	32	56 Å²	56	12%	0.121	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-40.4	173	-81	-73.8	-173.6	179.1	1.3	112.2	S23 L24 F25 V29 D31 C187 K188 V193	S23-R27 WeakPolarHBondContact O-CB 3.36Å; S23-R27 WeakPolarHBondContact O-CG 2.76Å; S23-R27 PolarHBondContact O-N 3.42Å; L24-R27 PolarHBondContact O-N 2.74Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-R27 PolarHBondContact O-N 3.5Å; R27-V29 VanDerWaalsContact C-N 3.33Å; R27-V29 PolarHBondContact O-N 3.1Å; R27-D31 IonicContact CZ-OD1 2.95Å; R27-D31 PolarHBondContact NH1-O 3.32Å; R27-D31 IonicContact NH1-OD1 2.69Å; R27-D31 PolarHBondContact NH1-OD1 3.25Å; R27-D31 WeakPolarHBondContact O-CA 3.38Å; R27-D31 PolarHBondContact O-N 2.86Å; R27-C187 HydrophobicContact CG-CB 4.5Å; R27-C187 PolarHBondContact NE-O 3.12Å; R27-C187 PolarHBondContact NH2-O 3.36Å; R27-K188 PolarHBondContact NH2-O 2.62Å; R27-V193 HydrophobicContact CB-CG1 3.82Å
28	F	82.5	Confident	80.7	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.013	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-47.9	175.9	177.4	-104.8	0	0	0	111.4	L24 F25 K50 Y52 L84 L86 F197	L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 PolarHBondContact O-N 2.85Å; F25-F28 WeakPolarHBondContact O-CB 3.49Å; F25-F28 PolarHBondContact O-N 3.44Å; F25-F28 VanDerWaalsContact O-N 3.13Å; F28-K50 HydrophobicContact CD2-CD 4.24Å; F28-K50 HydrophobicContact CE1-CB 3.71Å; F28-K50 HydrophobicContact CE2-CB 3.7Å; F28-K50 HydrophobicContact CE2-CD 3.94Å; F28-K50 HydrophobicContact CE2-CG 4.45Å; F28-K50 HydrophobicContact CZ-CB 3.16Å; F28-K50 HydrophobicContact CZ-CD 4.2Å; F28-K50 HydrophobicContact CZ-CG 4.32Å; F28-K50 WeakPolarHBondContact O-CD 3.37Å; F28-K50 PolarHBondContact O-NZ 3.28Å; F28-K50 VanDerWaalsContact O-NZ 3.12Å; F28-Y52 AromaticContact CE2-CE2 3.82Å; F28-Y52 HydrophobicContact CE2-CE2 3.82Å; F28-Y52 WeakPolarHBondContact CE2-OH 3.37Å; F28-Y52 HydrophobicContact CZ-CE2 4.35Å; F28-L84 HydrophobicContact CD2-CD2 4.02Å; F28-L84 HydrophobicContact CE1-CB 4.13Å; F28-L84 HydrophobicContact CE1-CD2 4.47Å; F28-L84 HydrophobicContact CE2-CB 3.88Å; F28-L84 HydrophobicContact CE2-CD2 3.46Å; F28-L84 VanDerWaalsContact CE2-CD2 3.46Å; F28-L84 HydrophobicContact CE2-CG 4.35Å; F28-L84 HydrophobicContact CZ-CB 3.35Å; F28-L84 HydrophobicContact CZ-CD2 3.73Å; F28-L84 HydrophobicContact CZ-CG 4.17Å; F28-L86 HydrophobicContact CB-CD2 4.3Å; F28-L86 HydrophobicContact CD1-CD2 4.43Å; F28-L86 HydrophobicContact CG-CD2 4.45Å; F28-F197 HydrophobicContact CB-CD2 4.27Å; F28-F197 HydrophobicContact CB-CE2 3.76Å; F28-F197 HydrophobicContact CB-CZ 4.01Å; F28-F197 HydrophobicContact CD2-CB 4.29Å; F28-F197 AromaticContact CD2-CD1 3.96Å; F28-F197 HydrophobicContact CD2-CD1 3.96Å; F28-F197 AromaticContact CD2-CD2 3.79Å; F28-F197 HydrophobicContact CD2-CD2 3.79Å; F28-F197 HydrophobicContact CD2-CE1 4.17Å; F28-F197 HydrophobicContact CD2-CE2 4.01Å; F28-F197 AromaticContact CD2-CG 3.76Å; F28-F197 HydrophobicContact CD2-CG 3.76Å; F28-F197 HydrophobicContact CD2-CZ 4.19Å; F28-F197 HydrophobicContact CE2-CB 4.49Å; F28-F197 HydrophobicContact CE2-CD1 4.34Å; F28-F197 HydrophobicContact CE2-CG 4.3Å; F28-F197 HydrophobicContact CG-CE2 4.32Å; F28-F197 HydrophobicContact CG-CZ 4.39Å
29	V	76.7	Confident	79.1	Confident	37 Å²	37	56.5 Å²	56.5	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-78.5	-53.3	-174.4	179.1	0	0	0	0	113.1	F25 R26 R27 Y48	F25-V29 HydrophobicContact CD1-CG2 3.96Å; F25-V29 HydrophobicContact CE1-CG2 3.64Å; F25-V29 HydrophobicContact CZ-CG2 4.26Å; F25-V29 WeakPolarHBondContact O-CG2 3.09Å; F25-V29 PolarHBondContact O-N 3.37Å; R26-V29 PolarHBondContact O-N 2.93Å; R27-V29 VanDerWaalsContact C-N 3.33Å; R27-V29 PolarHBondContact O-N 3.1Å; V29-Y48 HydrophobicContact CB-CD1 4.08Å; V29-Y48 HydrophobicContact CB-CG 4.28Å; V29-Y48 HydrophobicContact CG1-CD1 3.17Å; V29-Y48 HydrophobicContact CG1-CE1 3.36Å; V29-Y48 HydrophobicContact CG1-CG 3.83Å; V29-Y48 HydrophobicContact CG2-CD1 3.68Å; V29-Y48 HydrophobicContact CG2-CD2 4Å; V29-Y48 HydrophobicContact CG2-CE1 4.43Å; V29-Y48 HydrophobicContact CG2-CG 3.38Å
30	Y	80.3	Confident	77.3	Confident	126 Å²	126	67.7 Å²	67.7	49%	0.494	34%	0.338	S	S	.	.	H	α-helix	trans	-110.6	-8.8	-166.6	-57.1	-66.3	0	0	0	113.6	R26 K32 Y48	R26-Y30 WeakPolarHBondContact O-CB 3.21Å; R26-Y30 PolarHBondContact O-N 2.68Å; Y30-K32 WeakPolarHBondContact O-CG 3.4Å; Y30-K32 PolarHBondContact O-N 3.12Å; Y30-Y48 VanDerWaalsContact OH-CZ 3.28Å; Y30-Y48 PolarHBondContact OH-OH 3.12Å
31	D	83.7	Confident	75.4	Confident	104 Å²	104	72.1 Å²	72.1	56%	0.556	37%	0.367	S	S	*	.	S	Bend	trans	46.8	43.9	-166.2	-166.9	19.3	0	0	0	113.1	R26 R27	R26-D31 PolarHBondContact O-N 3Å; R27-D31 IonicContact CZ-OD1 2.95Å; R27-D31 PolarHBondContact NH1-O 3.32Å; R27-D31 IonicContact NH1-OD1 2.69Å; R27-D31 PolarHBondContact NH1-OD1 3.25Å; R27-D31 WeakPolarHBondContact O-CA 3.38Å; R27-D31 PolarHBondContact O-N 2.86Å
32	K	80.7	Confident	73.6	Confident	142 Å²	142	75.8 Å²	75.8	62%	0.617	39%	0.39	S	S	*	.			trans	-131.4	146.3	178.9	-72.5	178.7	-175.9	-177.4	0	111.2	Y30	Y30-K32 WeakPolarHBondContact O-CG 3.4Å; Y30-K32 PolarHBondContact O-N 3.12Å
33	F	83.3	Confident	71.8	Confident	60 Å²	60	81.1 Å²	81.1	26%	0.263	42%	0.415	S	S	.	.			trans	-105.4	140.7	166.9	-174.8	-105.2	0	0	0	109.6	D35 C187 K188	F33-D35 VanDerWaalsContact CE1-OD1 3.29Å; F33-D35 WeakPolarHBondContact CE1-OD1 3.5Å; F33-C187 WeakPolarHBondContact CB-O 3.21Å; F33-C187 HydrophobicContact CD2-CB 4.11Å; F33-C187 VanDerWaalsContact CD2-O 3.25Å; F33-C187 WeakPolarHBondContact CD2-O 3.19Å; F33-C187 HydrophobicContact CE2-CB 4.23Å; F33-K188 HydrophobicContact CD1-CB 4.41Å; F33-K188 HydrophobicContact CD1-CG 4.11Å; F33-K188 HydrophobicContact CE1-CB 4.2Å; F33-K188 HydrophobicContact CE1-CG 3.88Å; F33-K188 HydrophobicContact CE2-CB 4.44Å; F33-K188 HydrophobicContact CZ-CB 4.22Å; F33-K188 HydrophobicContact CZ-CG 4.34Å
34	V	79.9	Confident	70	Confident	52 Å²	52	83.2 Å²	83.2	32%	0.315	44%	0.437	S	S	.	.			trans	-129	120.9	173.2	179.1	0	0	0	0	107.3	R26 N38	R26-V34 PolarHBondContact NH1-O 2.95Å; R26-V34 PolarHBondContact NH2-O 2.85Å; V34-N38 HydrophobicContact CG1-CB 3.59Å
35	D	74.6	Confident	68.2	Low	87 Å²	87	86 Å²	86	47%	0.465	45%	0.45	S	S	.	.			trans	-58.7	157.5	177.6	-83.1	-53	0	0	0	112.2	F33 S37 N38 K39	F33-D35 VanDerWaalsContact CE1-OD1 3.29Å; F33-D35 WeakPolarHBondContact CE1-OD1 3.5Å; D35-S37 PolarHBondContact O-N 3Å; D35-N38 PolarHBondContact O-N 2.95Å; D35-N38 VanDerWaalsContact O-N 3.1Å; D35-K39 PolarHBondContact O-N 3.16Å
36	S	68.1	Low	67	Low	93 Å²	93	89.4 Å²	89.4	65%	0.65	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-54.2	-33.5	179.2	43.4	0	0	0	0	113.5	N38 K39	S36-N38 PolarHBondContact O-N 2.86Å; S36-K39 PolarHBondContact O-N 3.15Å; S36-K39 VanDerWaalsContact O-N 3.17Å
37	S	59.3	Low	65.7	Low	99 Å²	99	90.8 Å²	90.8	69%	0.692	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-59.3	-28	178.8	53.5	0	0	0	0	113.8	D35	D35-S37 PolarHBondContact O-N 3Å
38	N	57.2	Low	64.6	Low	128 Å²	128	92.8 Å²	92.8	68%	0.684	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-110.7	11.8	-179.3	-76.3	-11.7	0	0	0	113.1	V34 D35 S36 R40	V34-N38 HydrophobicContact CG1-CB 3.59Å; D35-N38 PolarHBondContact O-N 2.95Å; D35-N38 VanDerWaalsContact O-N 3.1Å; S36-N38 PolarHBondContact O-N 2.86Å; N38-R40 PolarHBondContact O-N 3.19Å
39	K	53.1	Low	63.8	Low	106 Å²	106	97.2 Å²	97.2	46%	0.461	51%	0.508	S	S	.	.			trans	-73.6	113.4	177.8	-75.9	-179.3	-169.6	173.8	0	110	D35 S36	D35-K39 PolarHBondContact O-N 3.16Å; S36-K39 PolarHBondContact O-N 3.15Å; S36-K39 VanDerWaalsContact O-N 3.17Å
40	R	51.9	Low	63.4	Low	236 Å²	236	99.3 Å²	99.3	89%	0.891	51%	0.514	S	S	*	.			trans	-64.9	143	153.6	-66.6	-177.7	-179.1	178	-0.6	107.6	N38 T42	N38-R40 PolarHBondContact O-N 3.19Å; R40-T42 PolarHBondContact O-N 3.48Å
41	S	50.2	Low	62.8	Low	104 Å²	104	96.4 Å²	96.4	73%	0.727	51%	0.51	S	S	*	.			trans	-49.6	134.1	171	42.5	0	0	0	0	108.8	I43	S41-I43 VanDerWaalsContact C-N 3.33Å; S41-I43 PolarHBondContact O-N 3.26Å
42	T	50.3	Low	62.2	Low	83 Å²	83	92.8 Å²	92.8	51%	0.509	49%	0.489	S	S	.	.			trans	-65.1	99.3	174.4	-44.9	0	0	0	0	106.8	R40 G44	R40-T42 PolarHBondContact O-N 3.48Å; T42-G44 PolarHBondContact O-N 3.37Å
43	I	44.7	Very low	61.6	Low	142 Å²	142	91.1 Å²	91.1	73%	0.728	49%	0.486	S	S	*	.			trans	-71.7	121.9	165.2	-71.6	172.3	0	0	0	104.4	S41	S41-I43 VanDerWaalsContact C-N 3.33Å; S41-I43 PolarHBondContact O-N 3.26Å
44	G	49.5	Very low	60.8	Low	52 Å²	52	88.7 Å²	88.7	54%	0.536	48%	0.475	S	S	.	.	S	Bend	trans	-53.4	163.3	-164.2	0	0	0	0	0	116.3	T42	T42-G44 PolarHBondContact O-N 3.37Å
45	F	52.2	Low	60.2	Low	58 Å²	58	88.6 Å²	88.6	25%	0.254	47%	0.473	S	S	.	.			trans	50	60.8	168.1	-72.4	-70.4	0	0	0	117.5	N47 W87 Y102	F45-N47 PolarHBondContact O-N 3.09Å; F45-W87 HydrophobicContact CD1-CD2 4.17Å; F45-W87 AromaticContact CD1-CE3 3.32Å; F45-W87 HydrophobicContact CD1-CE3 3.32Å; F45-W87 AromaticContact CD1-CZ3 3.49Å; F45-W87 HydrophobicContact CD1-CZ3 3.49Å; F45-W87 VanDerWaalsContact CD1-CZ3 3.49Å; F45-W87 HydrophobicContact CE1-CB 4.16Å; F45-W87 AromaticContact CE1-CD2 3.98Å; F45-W87 HydrophobicContact CE1-CD2 3.98Å; F45-W87 AromaticContact CE1-CE3 3.1Å; F45-W87 HydrophobicContact CE1-CE3 3.1Å; F45-W87 HydrophobicContact CE1-CG 4.45Å; F45-W87 AromaticContact CE1-CZ3 3.69Å; F45-W87 HydrophobicContact CE1-CZ3 3.69Å; F45-W87 HydrophobicContact CG-CZ3 4.4Å; F45-W87 HydrophobicContact CZ-CE3 4.16Å; F45-Y102 HydrophobicContact CD1-CD1 4.48Å; F45-Y102 HydrophobicContact CD1-CE1 4.16Å; F45-Y102 HydrophobicContact CD2-CE1 4.13Å; F45-Y102 AromaticContact CD2-CZ 3.83Å; F45-Y102 WeakPolarHBondContact CD2-OH 3.48Å; F45-Y102 AromaticContact CE1-CD1 3.77Å; F45-Y102 HydrophobicContact CE1-CD1 3.77Å; F45-Y102 HydrophobicContact CE1-CD2 4.21Å; F45-Y102 AromaticContact CE1-CE1 3.68Å; F45-Y102 HydrophobicContact CE1-CE1 3.68Å; F45-Y102 HydrophobicContact CE1-CE2 4.1Å; F45-Y102 HydrophobicContact CE1-CG 4.05Å; F45-Y102 AromaticContact CE1-CZ 3.89Å; F45-Y102 HydrophobicContact CE2-CD1 4.4Å; F45-Y102 HydrophobicContact CE2-CD2 4.2Å; F45-Y102 AromaticContact CE2-CE1 3.6Å; F45-Y102 HydrophobicContact CE2-CE1 3.6Å; F45-Y102 AromaticContact CE2-CE2 3.34Å; F45-Y102 HydrophobicContact CE2-CE2 3.34Å; F45-Y102 AromaticContact CE2-CZ 3.01Å; F45-Y102 WeakPolarHBondContact CE2-OH 3.24Å; F45-Y102 HydrophobicContact CG-CE1 4.4Å; F45-Y102 AromaticContact CZ-CD1 3.7Å; F45-Y102 HydrophobicContact CZ-CD1 3.7Å; F45-Y102 AromaticContact CZ-CD2 3.47Å; F45-Y102 HydrophobicContact CZ-CD2 3.47Å; F45-Y102 VanDerWaalsContact CZ-CD2 3.47Å; F45-Y102 AromaticContact CZ-CE1 3.36Å; F45-Y102 HydrophobicContact CZ-CE1 3.36Å; F45-Y102 AromaticContact CZ-CE2 3.07Å; F45-Y102 HydrophobicContact CZ-CE2 3.07Å; F45-Y102 AromaticContact CZ-CG 3.76Å; F45-Y102 HydrophobicContact CZ-CG 3.76Å; F45-Y102 AromaticContact CZ-CZ 3.05Å
46	D	57.5	Low	59.5	Low	84 Å²	84	84.9 Å²	84.9	45%	0.449	46%	0.455	S	S	.	.			trans	-71.3	118.1	154.7	-81.9	-30.6	0	0	0	109.3	F25 Y48	F25-D46 HydrophobicContact CE1-CB 3.67Å; F25-D46 HydrophobicContact CE2-CB 4.38Å; F25-D46 WeakPolarHBondContact CE2-O 3.46Å; F25-D46 HydrophobicContact CZ-CB 3.52Å; F25-D46 WeakPolarHBondContact CZ-O 3.18Å; D46-Y48 HydrophobicContact CB-CD2 3.9Å; D46-Y48 HydrophobicContact CB-CE2 3.68Å
47	N	57.4	Low	59.2	Low	78 Å²	78	83.7 Å²	83.7	42%	0.417	44%	0.439	S	S	.	.			trans	-102.1	117.2	168	-79.3	-53.3	0	0	0	108.1	F45 W87	F45-N47 PolarHBondContact O-N 3.09Å; N47-W87 VanDerWaalsContact OD1-CZ2 3.3Å; N47-W87 WeakPolarHBondContact OD1-CZ2 3.21Å
48	Y	64.1	Low	59.3	Low	75 Å²	75	83.8 Å²	83.8	29%	0.294	43%	0.429	S	S	.	.			trans	-125.2	151.6	176.3	-80.4	-101.8	0	0	0	110.6	F25 V29 Y30 D46	F25-Y48 AromaticContact CE1-CD2 3.42Å; F25-Y48 HydrophobicContact CE1-CD2 3.42Å; F25-Y48 VanDerWaalsContact CE1-CD2 3.42Å; F25-Y48 AromaticContact CE1-CE2 3.88Å; F25-Y48 HydrophobicContact CE1-CE2 3.88Å; F25-Y48 HydrophobicContact CE1-CG 4.09Å; F25-Y48 AromaticContact CZ-CD2 3.38Å; F25-Y48 HydrophobicContact CZ-CD2 3.38Å; F25-Y48 HydrophobicContact CZ-CE2 4.18Å; F25-Y48 HydrophobicContact CZ-CG 4.06Å; V29-Y48 HydrophobicContact CB-CD1 4.08Å; V29-Y48 HydrophobicContact CB-CG 4.28Å; V29-Y48 HydrophobicContact CG1-CD1 3.17Å; V29-Y48 HydrophobicContact CG1-CE1 3.36Å; V29-Y48 HydrophobicContact CG1-CG 3.83Å; V29-Y48 HydrophobicContact CG2-CD1 3.68Å; V29-Y48 HydrophobicContact CG2-CD2 4Å; V29-Y48 HydrophobicContact CG2-CE1 4.43Å; V29-Y48 HydrophobicContact CG2-CG 3.38Å; Y30-Y48 VanDerWaalsContact OH-CZ 3.28Å; Y30-Y48 PolarHBondContact OH-OH 3.12Å; D46-Y48 HydrophobicContact CB-CD2 3.9Å; D46-Y48 HydrophobicContact CB-CE2 3.68Å
49	E	66.3	Low	59.4	Low	95 Å²	95	77.8 Å²	77.8	44%	0.444	40%	0.397	S	S	.	.			trans	-124.6	130.9	-175.4	-58.8	-178.8	160.4	0	0	109.4	R6 Q83	R6-E49 IonicContact CZ-OE2 3.24Å; R6-E49 IonicContact NH1-OE2 2.94Å; R6-E49 PolarHBondContact NH1-OE2 3.42Å; R6-E49 IonicContact NH2-OE2 3.1Å; R6-E49 PolarHBondContact NH2-OE2 2.66Å; R6-E49 VanDerWaalsContact NH2-OE2 3.08Å; E49-Q83 HydrophobicContact CB-CG 4.22Å; E49-Q83 PolarHBondContact OE1-NE2 3.4Å; E49-Q83 PolarHBondContact OE2-NE2 2.83Å
50	K	67.4	Low	59.7	Low	81 Å²	81	74.4 Å²	74.4	35%	0.352	39%	0.389	S	S	.	.			trans	-123.3	133.6	170	-165.1	168.6	-174	167.8	0	109.4	F28 Y52	F28-K50 HydrophobicContact CD2-CD 4.24Å; F28-K50 HydrophobicContact CE1-CB 3.71Å; F28-K50 HydrophobicContact CE2-CB 3.7Å; F28-K50 HydrophobicContact CE2-CD 3.94Å; F28-K50 HydrophobicContact CE2-CG 4.45Å; F28-K50 HydrophobicContact CZ-CB 3.16Å; F28-K50 HydrophobicContact CZ-CD 4.2Å; F28-K50 HydrophobicContact CZ-CG 4.32Å; F28-K50 WeakPolarHBondContact O-CD 3.37Å; F28-K50 PolarHBondContact O-NZ 3.28Å; F28-K50 VanDerWaalsContact O-NZ 3.12Å; K50-Y52 HydrophobicContact CB-CE2 3.98Å; K50-Y52 HydrophobicContact CD-CE2 4.13Å; K50-Y52 HydrophobicContact CG-CE2 4.01Å
51	V	68.4	Low	60.1	Low	65 Å²	65	71.4 Å²	71.4	39%	0.394	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.4	177.3	170.5	0	0	0	0	109.8	L53 V81 F82	V51-L53 HydrophobicContact CG1-CD2 4.49Å; V51-V81 HydrophobicContact CB-CG1 4.24Å; V51-V81 HydrophobicContact CG1-CB 4.33Å; V51-V81 HydrophobicContact CG1-CG1 3.39Å; V51-V81 HydrophobicContact CG2-CG1 3.87Å; V51-F82 WeakPolarHBondContact CA-O 3.32Å
52	Y	70.4	Confident	60.5	Low	29 Å²	29	70.7 Å²	70.7	11%	0.114	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.4	165.7	-64.8	-98.3	0	0	0	109.3	F28 K50 V81 F82 F197 E198 A201	F28-Y52 AromaticContact CE2-CE2 3.82Å; F28-Y52 HydrophobicContact CE2-CE2 3.82Å; F28-Y52 WeakPolarHBondContact CE2-OH 3.37Å; F28-Y52 HydrophobicContact CZ-CE2 4.35Å; K50-Y52 HydrophobicContact CB-CE2 3.98Å; K50-Y52 HydrophobicContact CD-CE2 4.13Å; K50-Y52 HydrophobicContact CG-CE2 4.01Å; Y52-V81 WeakPolarHBondContact O-CA 3.43Å; Y52-F82 AromaticContact CD2-CD1 3.81Å; Y52-F82 HydrophobicContact CD2-CD1 3.81Å; Y52-F82 HydrophobicContact CD2-CE1 4.37Å; Y52-F82 PolarHBondContact N-O 3.48Å; Y52-F82 PolarHBondContact O-N 3.08Å; Y52-F82 VanDerWaalsContact O-N 3.07Å; Y52-F197 VanDerWaalsContact OH-CB 3.29Å; Y52-F197 WeakPolarHBondContact OH-CB 3.36Å; Y52-E198 HydrophobicContact CD1-CB 4.33Å; Y52-E198 HydrophobicContact CD1-CG 4.28Å; Y52-E198 HydrophobicContact CE1-CB 4.12Å; Y52-A201 HydrophobicContact CD2-CB 4.2Å; Y52-A201 HydrophobicContact CG-CB 4.16Å
53	L	68.4	Low	60.6	Low	106 Å²	106	68.7 Å²	68.7	56%	0.555	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.9	172.5	-64.7	-180	0	0	0	107.6	V51 Y79 V81	V51-L53 HydrophobicContact CG1-CD2 4.49Å; L53-Y79 HydrophobicContact CB-CD1 3.82Å; L53-Y79 HydrophobicContact CB-CG 4.02Å; L53-V81 HydrophobicContact CD2-CG2 3.91Å
54	I	66.6	Low	60.9	Low	9 Å²	9	66.3 Å²	66.3	5%	0.046	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.3	179.3	-61.5	157	0	0	0	108.7	G56 I59 Y79 I80 F82 A201 R202 A205	I54-G56 PolarHBondContact O-N 3.01Å; I54-G56 VanDerWaalsContact O-N 3.1Å; I54-I59 HydrophobicContact CG2-CD1 3.97Å; I54-Y79 CarbonylContact O-C 3.36Å; I54-Y79 VanDerWaalsContact O-CA 3.26Å; I54-Y79 WeakPolarHBondContact O-CA 3.27Å; I54-I80 PolarHBondContact N-O 2.89Å; I54-I80 PolarHBondContact O-N 3.35Å; I54-F82 HydrophobicContact CD1-CB 4.4Å; I54-A201 HydrophobicContact CD1-CB 4.26Å; I54-R202 HydrophobicContact CG2-CG 4.32Å; I54-A205 HydrophobicContact CD1-CB 3.74Å
55	D	66.9	Low	61.1	Low	51 Å²	51	72.2 Å²	72.2	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	116.4	178.2	-167.3	-14.9	0	0	0	110.7	E57 E58 A78	D55-E57 PolarHBondContact O-N 3.19Å; D55-E57 WeakPolarHBondContact OD1-CB 3.49Å; D55-E57 PolarHBondContact OD1-N 3.47Å; D55-E58 PolarHBondContact O-N 3.09Å; D55-A78 CarbonylContact C-O 3.51Å
56	G	60.2	Low	61.1	Low	8 Å²	8	78.9 Å²	78.9	8%	0.082	37%	0.369	C	S	.	.	H	α-helix	trans	-74.9	-10.1	-177.9	0	0	0	0	0	112.2	I54 E58 I59 A60 A78	I54-G56 PolarHBondContact O-N 3.01Å; I54-G56 VanDerWaalsContact O-N 3.1Å; G56-E58 VanDerWaalsContact C-N 3.34Å; G56-I59 PolarHBondContact O-N 3.27Å; G56-A60 WeakPolarHBondContact O-CA 3.26Å; G56-A60 WeakPolarHBondContact O-CB 2.87Å; G56-A60 PolarHBondContact O-N 3.28Å; G56-A78 WeakPolarHBondContact CA-O 3.38Å; G56-A78 PolarHBondContact N-O 3.44Å
57	E	61.5	Low	60.3	Low	69 Å²	69	79.2 Å²	79.2	32%	0.322	37%	0.369	S	S	.	.	H	α-helix	trans	-62.3	-41.3	166.3	-75.6	-161.8	-177.6	0	0	111.6	D55 I59 A60 R61	D55-E57 PolarHBondContact O-N 3.19Å; D55-E57 WeakPolarHBondContact OD1-CB 3.49Å; D55-E57 PolarHBondContact OD1-N 3.47Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 2.91Å; E57-A60 PolarHBondContact O-N 2.9Å; E57-R61 WeakPolarHBondContact O-CB 3.25Å; E57-R61 VanDerWaalsContact O-CG 3.3Å; E57-R61 WeakPolarHBondContact O-CG 3.44Å; E57-R61 PolarHBondContact O-N 3.45Å; E57-R61 IonicContact OE2-NH2 3.74Å
58	E	61.6	Low	59.6	Low	101 Å²	101	83 Å²	83	47%	0.472	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-41.3	178.3	-65.1	-153.4	129.4	0	0	111	D55 G56 F62 R202	D55-E58 PolarHBondContact O-N 3.09Å; G56-E58 VanDerWaalsContact C-N 3.34Å; E58-F62 PolarHBondContact O-N 3.06Å; E58-R202 IonicContact OE2-NE 3.28Å
59	I	59.9	Low	58.5	Low	1 Å²	1	85 Å²	85	1%	0.005	41%	0.407	C	S	.	.	H	α-helix	trans	-71.6	-46	179.2	-61.9	176.7	0	0	0	109.7	I54 G56 E57 R61 F62 W63 I80 A205 I206	I54-I59 HydrophobicContact CG2-CD1 3.97Å; G56-I59 PolarHBondContact O-N 3.27Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 2.91Å; I59-R61 VanDerWaalsContact C-N 3.33Å; I59-R61 PolarHBondContact O-N 2.96Å; I59-F62 WeakPolarHBondContact O-CB 3.21Å; I59-F62 PolarHBondContact O-N 2.97Å; I59-F62 VanDerWaalsContact O-N 3.1Å; I59-W63 PolarHBondContact O-N 2.78Å; I59-I80 HydrophobicContact CB-CD1 4.43Å; I59-I80 HydrophobicContact CD1-CB 4.3Å; I59-I80 HydrophobicContact CD1-CD1 3.26Å; I59-I80 HydrophobicContact CD1-CG1 3.75Å; I59-I80 HydrophobicContact CG1-CD1 4.4Å; I59-I80 HydrophobicContact CG2-CD1 4.01Å; I59-A205 HydrophobicContact CD1-CB 3.88Å; I59-I206 HydrophobicContact CG1-CG1 4.24Å
60	A	58.7	Low	57	Low	36 Å²	36	89.8 Å²	89.8	30%	0.298	43%	0.427	S	S	.	.	H	α-helix	trans	-59	-41.6	176.5	0	0	0	0	0	111.7	G56 E57 F62 W63 I64	G56-A60 WeakPolarHBondContact O-CA 3.26Å; G56-A60 WeakPolarHBondContact O-CB 2.87Å; G56-A60 PolarHBondContact O-N 3.28Å; E57-A60 PolarHBondContact O-N 2.9Å; A60-F62 VanDerWaalsContact C-N 3.33Å; A60-F62 PolarHBondContact O-N 3.28Å; A60-W63 CarbonylContact O-C 3.43Å; A60-W63 PolarHBondContact O-N 3Å; A60-I64 HydrophobicContact CB-CD1 4.48Å; A60-I64 VanDerWaalsContact O-CB 3.31Å; A60-I64 WeakPolarHBondContact O-CB 3.16Å; A60-I64 WeakPolarHBondContact O-CD1 3.27Å; A60-I64 WeakPolarHBondContact O-CG1 3.48Å; A60-I64 PolarHBondContact O-N 3.07Å
61	R	60.7	Low	55.6	Low	172 Å²	172	98 Å²	98	65%	0.649	46%	0.455	S	S	*	.	H	α-helix	trans	-59.4	-43.8	173.7	-76	-179.7	-168.3	-165.4	6.9	111.8	E57 I59 I64 H65	E57-R61 WeakPolarHBondContact O-CB 3.25Å; E57-R61 VanDerWaalsContact O-CG 3.3Å; E57-R61 WeakPolarHBondContact O-CG 3.44Å; E57-R61 PolarHBondContact O-N 3.45Å; E57-R61 IonicContact OE2-NH2 3.74Å; I59-R61 VanDerWaalsContact C-N 3.33Å; I59-R61 PolarHBondContact O-N 2.96Å; R61-I64 PolarHBondContact O-N 2.82Å; R61-H65 PolarHBondContact O-N 3.39Å
62	F	57.6	Low	54.2	Low	89 Å²	89	101 Å²	101	39%	0.39	47%	0.474	S	S	.	.	H	α-helix	trans	-62.9	-41.9	175.5	-174.2	-98.1	0	0	0	112	E58 I59 A60 R66 I206	E58-F62 PolarHBondContact O-N 3.06Å; I59-F62 WeakPolarHBondContact O-CB 3.21Å; I59-F62 PolarHBondContact O-N 2.97Å; I59-F62 VanDerWaalsContact O-N 3.1Å; A60-F62 VanDerWaalsContact C-N 3.33Å; A60-F62 PolarHBondContact O-N 3.28Å; F62-R66 PolarHBondContact O-N 2.9Å; F62-I206 HydrophobicContact CB-CG2 4.49Å; F62-I206 HydrophobicContact CD1-CG2 3.98Å; F62-I206 HydrophobicContact CD2-CG2 3.84Å; F62-I206 HydrophobicContact CE1-CG2 4.11Å; F62-I206 WeakPolarHBondContact CE1-O 3.44Å; F62-I206 HydrophobicContact CE2-CG2 3.97Å; F62-I206 HydrophobicContact CG-CG2 3.84Å; F62-I206 HydrophobicContact CZ-CG2 4.11Å
63	W	52.2	Low	52.9	Low	42 Å²	42	106.5 Å²	106.5	16%	0.159	50%	0.499	C	S	.	.	H	α-helix	trans	-68.4	-39	175.6	-82.5	103.8	0	0	0	113.1	I59 A60 R66 M67 P209 P212	I59-W63 PolarHBondContact O-N 2.78Å; A60-W63 CarbonylContact O-C 3.43Å; A60-W63 PolarHBondContact O-N 3Å; W63-R66 CarbonylContact O-C 3.58Å; W63-R66 WeakPolarHBondContact O-CA 3.48Å; W63-R66 WeakPolarHBondContact O-CB 3.32Å; W63-R66 PolarHBondContact O-N 3.43Å; W63-M67 HydrophobicContact CB-CE 3.89Å; W63-M67 HydrophobicContact CD2-CE 4.05Å; W63-M67 HydrophobicContact CE3-CE 3.43Å; W63-M67 VanDerWaalsContact CE3-CE 3.43Å; W63-M67 HydrophobicContact CE3-SD 3.95Å; W63-M67 HydrophobicContact CG-CE 4.29Å; W63-M67 HydrophobicContact CZ3-CE 4.21Å; W63-M67 HydrophobicContact CZ3-SD 4.28Å; W63-M67 VanDerWaalsContact O-CB 3.32Å; W63-M67 WeakPolarHBondContact O-CB 3.31Å; W63-M67 PolarHBondContact O-N 3.04Å; W63-P209 HydrophobicContact CH2-CB 3.84Å; W63-P209 HydrophobicContact CH2-CG 4.27Å; W63-P209 HydrophobicContact CZ2-CB 3.2Å; W63-P209 HydrophobicContact CZ2-CG 3.92Å; W63-P212 HydrophobicContact CH2-CB 4.1Å; W63-P212 HydrophobicContact CZ2-CB 4.29Å; W63-P212 HydrophobicContact CZ3-CB 4.28Å
64	I	51.4	Low	51.3	Low	92 Å²	92	108.1 Å²	108.1	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-66.7	-39.1	178.5	-72.1	162.7	0	0	0	110.4	A60 R61 R66 M67 F73	A60-I64 HydrophobicContact CB-CD1 4.48Å; A60-I64 VanDerWaalsContact O-CB 3.31Å; A60-I64 WeakPolarHBondContact O-CB 3.16Å; A60-I64 WeakPolarHBondContact O-CD1 3.27Å; A60-I64 WeakPolarHBondContact O-CG1 3.48Å; A60-I64 PolarHBondContact O-N 3.07Å; R61-I64 PolarHBondContact O-N 2.82Å; I64-R66 PolarHBondContact O-N 2.91Å; I64-M67 CarbonylContact O-C 3.55Å; I64-M67 VanDerWaalsContact O-C 3.25Å; I64-M67 PolarHBondContact O-N 2.69Å; I64-M67 VanDerWaalsContact O-O 3.1Å; I64-F73 HydrophobicContact CD1-CE2 4.39Å
65	H	53	Low	49.8	Very low	176 Å²	176	116.4 Å²	116.4	82%	0.815	54%	0.537	S	S	*	.	H	α-helix	trans	-60.7	-29	172.5	-171.4	73.2	0	0	0	111.8	R61	R61-H65 PolarHBondContact O-N 3.39Å
66	R	53.8	Low	48.3	Very low	197 Å²	197	115.2 Å²	115.2	74%	0.743	53%	0.532	S	S	*	.	H	α-helix	trans	-93.3	-18.1	179.3	-149.1	177.6	162.7	107.1	3.6	113.8	F62 W63 I64	F62-R66 PolarHBondContact O-N 2.9Å; W63-R66 CarbonylContact O-C 3.58Å; W63-R66 WeakPolarHBondContact O-CA 3.48Å; W63-R66 WeakPolarHBondContact O-CB 3.32Å; W63-R66 PolarHBondContact O-N 3.43Å; I64-R66 PolarHBondContact O-N 2.91Å
67	M	39.9	Very low	47.4	Very low	91 Å²	91	120.7 Å²	120.7	45%	0.448	55%	0.553	S	S	.	*			trans	-131.3	91	-177.9	-65.5	-171.4	-58.6	0	0	109.3	W63 I64	W63-M67 HydrophobicContact CB-CE 3.89Å; W63-M67 HydrophobicContact CD2-CE 4.05Å; W63-M67 HydrophobicContact CE3-CE 3.43Å; W63-M67 VanDerWaalsContact CE3-CE 3.43Å; W63-M67 HydrophobicContact CE3-SD 3.95Å; W63-M67 HydrophobicContact CG-CE 4.29Å; W63-M67 HydrophobicContact CZ3-CE 4.21Å; W63-M67 HydrophobicContact CZ3-SD 4.28Å; W63-M67 VanDerWaalsContact O-CB 3.32Å; W63-M67 WeakPolarHBondContact O-CB 3.31Å; W63-M67 PolarHBondContact O-N 3.04Å; I64-M67 CarbonylContact O-C 3.55Å; I64-M67 VanDerWaalsContact O-C 3.25Å; I64-M67 PolarHBondContact O-N 2.69Å; I64-M67 VanDerWaalsContact O-O 3.1Å
68	I	43.1	Very low	46.5	Very low	159 Å²	159	118 Å²	118	82%	0.815	54%	0.543	S	S	*	.			trans	-62	140.9	151.1	-59.3	173.3	0	0	0	105.7
69	V	40.6	Very low	46	Very low	116 Å²	116	115.7 Å²	115.7	70%	0.703	53%	0.53	S	S	*	.			trans	101.7	76.2	178.2	-169.1	0	0	0	0	114.9
70	K	34.9	Very low	45.7	Very low	196 Å²	196	116.3 Å²	116.3	85%	0.852	53%	0.533	S	S	*	.				171.9	137.4	102.9	-98.3	171.3	-174.9	-175.2	0	111	T72	K70-T72 PolarHBondContact O-N 2.94Å
71	R	38.7	Very low	45.5	Very low	252 Å²	252	114.7 Å²	114.7	95%	0.951	52%	0.52	S	S	*	.			trans	-94.6	34.6	-149.4	-145.6	-179.3	-178.5	-166.7	0.3	114.7
72	T	38.6	Very low	45.6	Very low	130 Å²	130	106.5 Å²	106.5	80%	0.798	49%	0.489	S	S	*	.			trans	-115.2	88.6	-176.9	-43	0	0	0	0	110.5	K70 M74	K70-T72 PolarHBondContact O-N 2.94Å; T72-M74 PolarHBondContact O-N 3.44Å
73	F	42.3	Very low	45.5	Very low	144 Å²	144	102.8 Å²	102.8	63%	0.632	47%	0.473	S	S	*	.			trans	-78	92.4	179.4	-134.4	-95.7	0	0	0	108.6	I64 Y75	I64-F73 HydrophobicContact CD1-CE2 4.39Å; F73-Y75 HydrophobicContact CD1-CD1 4.41Å; F73-Y75 AromaticContact CD1-CE1 3.87Å; F73-Y75 HydrophobicContact CD1-CE1 3.87Å; F73-Y75 HydrophobicContact CD1-CE2 4.04Å; F73-Y75 AromaticContact CD1-CZ 3.66Å; F73-Y75 AromaticContact CE1-CE1 3.92Å; F73-Y75 HydrophobicContact CE1-CE1 3.92Å
74	M	34.9	Very low	45.7	Very low	139 Å²	139	100.8 Å²	100.8	69%	0.685	47%	0.465	S	S	*	.			trans	-99.7	108.6	173.5	-157.4	165.4	76.8	0	0	108.9	T72 V76	T72-M74 PolarHBondContact O-N 3.44Å; M74-V76 VanDerWaalsContact C-N 3.29Å; M74-V76 HydrophobicContact CE-CG2 4.14Å; M74-V76 HydrophobicContact CG-CG2 4.25Å; M74-V76 PolarHBondContact O-N 3.29Å
75	Y	35	Very low	46	Very low	184 Å²	184	98.9 Å²	98.9	72%	0.722	45%	0.454	S	S	*	.			trans	-68.9	79.9	178.8	-62.5	-90.5	0	0	0	110.8	F73	F73-Y75 HydrophobicContact CD1-CD1 4.41Å; F73-Y75 AromaticContact CD1-CE1 3.87Å; F73-Y75 HydrophobicContact CD1-CE1 3.87Å; F73-Y75 HydrophobicContact CD1-CE2 4.04Å; F73-Y75 AromaticContact CD1-CZ 3.66Å; F73-Y75 AromaticContact CE1-CE1 3.92Å; F73-Y75 HydrophobicContact CE1-CE1 3.92Å
76	V	35.7	Very low	46	Very low	26 Å²	26	90.5 Å²	90.5	16%	0.158	42%	0.416	C	S	.	.			trans	-120.7	123.5	164.4	-167.6	0	0	0	0	105.4	M74 A78 F218 F219 L220	M74-V76 VanDerWaalsContact C-N 3.29Å; M74-V76 HydrophobicContact CE-CG2 4.14Å; M74-V76 HydrophobicContact CG-CG2 4.25Å; M74-V76 PolarHBondContact O-N 3.29Å; V76-A78 VanDerWaalsContact C-N 3.25Å; V76-A78 PolarHBondContact O-N 2.86Å; V76-F218 HydrophobicContact CB-CB 4.38Å; V76-F218 HydrophobicContact CG1-CB 4.25Å; V76-F219 WeakPolarHBondContact CG1-O 3.31Å; V76-L220 HydrophobicContact CG1-CD2 3.86Å; V76-L220 HydrophobicContact CG1-CG 4.27Å; V76-L220 HydrophobicContact CG2-CD2 4.31Å
77	K	40.5	Very low	46.4	Very low	123 Å²	123	82.9 Å²	82.9	54%	0.535	39%	0.387	S	S	.	.			trans	-56.9	96.7	171.1	-81.3	-171.3	177	-178.3	0	107.7	Y79	K77-Y79 HydrophobicContact CB-CE2 3.97Å
78	A	43.2	Very low	47.4	Very low	13 Å²	13	79.6 Å²	79.6	11%	0.107	37%	0.371	C	S	.	.			trans	-74.5	141.7	175.8	0	0	0	0	0	106.7	D55 G56 V76 F218	D55-A78 CarbonylContact C-O 3.51Å; G56-A78 WeakPolarHBondContact CA-O 3.38Å; G56-A78 PolarHBondContact N-O 3.44Å; V76-A78 VanDerWaalsContact C-N 3.25Å; V76-A78 PolarHBondContact O-N 2.86Å; A78-F218 HydrophobicContact CB-CD1 3.51Å; A78-F218 HydrophobicContact CB-CE1 3.77Å
79	Y	51.6	Low	48.2	Very low	52 Å²	52	72.5 Å²	72.5	20%	0.204	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.1	171.2	-64.1	-79.8	0	0	0	108.6	L53 I54 K77	L53-Y79 HydrophobicContact CB-CD1 3.82Å; L53-Y79 HydrophobicContact CB-CG 4.02Å; I54-Y79 CarbonylContact O-C 3.36Å; I54-Y79 VanDerWaalsContact O-CA 3.26Å; I54-Y79 WeakPolarHBondContact O-CA 3.27Å; K77-Y79 HydrophobicContact CB-CE2 3.97Å
80	I	53.7	Low	48.9	Very low	13 Å²	13	68.4 Å²	68.4	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.2	172.2	-59.1	-160	0	0	0	108.5	Q7 I54 I59 F82	Q7-I80 HydrophobicContact CB-CG2 4.3Å; Q7-I80 HydrophobicContact CG-CG2 4.45Å; I54-I80 PolarHBondContact N-O 2.89Å; I54-I80 PolarHBondContact O-N 3.35Å; I59-I80 HydrophobicContact CB-CD1 4.43Å; I59-I80 HydrophobicContact CD1-CB 4.3Å; I59-I80 HydrophobicContact CD1-CD1 3.26Å; I59-I80 HydrophobicContact CD1-CG1 3.75Å; I59-I80 HydrophobicContact CG1-CD1 4.4Å; I59-I80 HydrophobicContact CG2-CD1 4.01Å; I80-F82 PolarHBondContact O-N 2.89Å
81	V	54.3	Low	49.8	Very low	2 Å²	2	61.9 Å²	61.9	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	104.3	173.7	-178.7	0	0	0	0	108.2	I3 R6 Q7 V51 Y52 L53 F219	I3-V81 HydrophobicContact CG2-CB 4.02Å; I3-V81 HydrophobicContact CG2-CG1 4.07Å; I3-V81 HydrophobicContact CG2-CG2 3.72Å; R6-V81 HydrophobicContact CB-CG1 4.41Å; R6-V81 HydrophobicContact CG-CB 4.3Å; R6-V81 HydrophobicContact CG-CG1 3.69Å; Q7-V81 PolarHBondContact N-O 2.79Å; V51-V81 HydrophobicContact CB-CG1 4.24Å; V51-V81 HydrophobicContact CG1-CB 4.33Å; V51-V81 HydrophobicContact CG1-CG1 3.39Å; V51-V81 HydrophobicContact CG2-CG1 3.87Å; Y52-V81 WeakPolarHBondContact O-CA 3.43Å; L53-V81 HydrophobicContact CD2-CG2 3.91Å; V81-F219 HydrophobicContact CG2-CE2 4.09Å; V81-F219 HydrophobicContact CG2-CZ 4.08Å
82	F	62	Low	50.6	Low	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.3	-177.1	171	-80.5	0	0	0	111.4	Q7 Y9 V51 Y52 I54 I80 L84 A201 L204	Q7-F82 WeakPolarHBondContact O-CA 3.41Å; Y9-F82 HydrophobicContact CD1-CE2 4.29Å; Y9-F82 AromaticContact CD2-CD2 3.06Å; Y9-F82 HydrophobicContact CD2-CD2 3.06Å; Y9-F82 AromaticContact CD2-CE2 3.19Å; Y9-F82 HydrophobicContact CD2-CE2 3.19Å; Y9-F82 HydrophobicContact CD2-CG 4.08Å; Y9-F82 HydrophobicContact CD2-CZ 4.27Å; Y9-F82 AromaticContact CE2-CD2 3.64Å; Y9-F82 HydrophobicContact CE2-CD2 3.64Å; Y9-F82 HydrophobicContact CE2-CE2 4.06Å; Y9-F82 AromaticContact CG-CD2 3.75Å; Y9-F82 HydrophobicContact CG-CD2 3.75Å; Y9-F82 AromaticContact CG-CE2 3.32Å; Y9-F82 HydrophobicContact CG-CE2 3.32Å; Y9-F82 HydrophobicContact CG-CZ 4.21Å; V51-F82 WeakPolarHBondContact CA-O 3.32Å; Y52-F82 AromaticContact CD2-CD1 3.81Å; Y52-F82 HydrophobicContact CD2-CD1 3.81Å; Y52-F82 HydrophobicContact CD2-CE1 4.37Å; Y52-F82 PolarHBondContact N-O 3.48Å; Y52-F82 PolarHBondContact O-N 3.08Å; Y52-F82 VanDerWaalsContact O-N 3.07Å; I54-F82 HydrophobicContact CD1-CB 4.4Å; I80-F82 PolarHBondContact O-N 2.89Å; F82-L84 HydrophobicContact CE1-CB 3.65Å; F82-L84 HydrophobicContact CE1-CD1 3.51Å; F82-L84 HydrophobicContact CE1-CG 4.16Å; F82-L84 VanDerWaalsContact CE1-N 3.28Å; F82-L84 HydrophobicContact CZ-CB 4.35Å; F82-L84 HydrophobicContact CZ-CD1 3.38Å; F82-L84 HydrophobicContact CZ-CG 4.46Å; F82-A201 HydrophobicContact CD1-CB 3.7Å; F82-A201 HydrophobicContact CD2-CB 4.1Å; F82-A201 HydrophobicContact CE1-CB 3.62Å; F82-A201 HydrophobicContact CE2-CB 4.03Å; F82-A201 HydrophobicContact CG-CB 3.96Å; F82-A201 HydrophobicContact CZ-CB 3.82Å; F82-L204 HydrophobicContact CE2-CB 4Å; F82-L204 HydrophobicContact CE2-CD1 4.25Å; F82-L204 HydrophobicContact CZ-CD1 4.13Å
83	Q	56.9	Low	51.4	Low	12 Å²	12	49.4 Å²	49.4	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118	168.2	-78.2	161	-68.6	0	0	110.7	R6 Q7 V8 Y9 E49	R6-Q83 HydrophobicContact CG-CG 4.15Å; R6-Q83 VanDerWaalsContact NH2-CD 3.27Å; Q7-Q83 PolarHBondContact O-N 2.87Å; V8-Q83 HydrophobicContact CB-CB 4.34Å; V8-Q83 HydrophobicContact CG1-CB 3.83Å; Y9-Q83 CarbonylContact C-O 3.44Å; Y9-Q83 PolarHBondContact N-O 2.71Å; E49-Q83 HydrophobicContact CB-CG 4.22Å; E49-Q83 PolarHBondContact OE1-NE2 3.4Å; E49-Q83 PolarHBondContact OE2-NE2 2.83Å
84	L	55.6	Low	51.9	Low	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.3	165	-150	64.3	0	0	0	108.7	Y9 L11 F28 F82 L86 F197	Y9-L84 WeakPolarHBondContact O-CA 3.41Å; L11-L84 HydrophobicContact CB-CD1 3.31Å; L11-L84 HydrophobicContact CB-CD2 4.35Å; L11-L84 HydrophobicContact CB-CG 3.77Å; L11-L84 HydrophobicContact CD2-CD1 3.86Å; L11-L84 HydrophobicContact CD2-CD2 3.75Å; L11-L84 HydrophobicContact CD2-CG 4.12Å; L11-L84 HydrophobicContact CG-CD1 4.15Å; F28-L84 HydrophobicContact CD2-CD2 4.02Å; F28-L84 HydrophobicContact CE1-CB 4.13Å; F28-L84 HydrophobicContact CE1-CD2 4.47Å; F28-L84 HydrophobicContact CE2-CB 3.88Å; F28-L84 HydrophobicContact CE2-CD2 3.46Å; F28-L84 VanDerWaalsContact CE2-CD2 3.46Å; F28-L84 HydrophobicContact CE2-CG 4.35Å; F28-L84 HydrophobicContact CZ-CB 3.35Å; F28-L84 HydrophobicContact CZ-CD2 3.73Å; F28-L84 HydrophobicContact CZ-CG 4.17Å; F82-L84 HydrophobicContact CE1-CB 3.65Å; F82-L84 HydrophobicContact CE1-CD1 3.51Å; F82-L84 HydrophobicContact CE1-CG 4.16Å; F82-L84 VanDerWaalsContact CE1-N 3.28Å; F82-L84 HydrophobicContact CZ-CB 4.35Å; F82-L84 HydrophobicContact CZ-CD1 3.38Å; F82-L84 HydrophobicContact CZ-CG 4.46Å; L84-L86 HydrophobicContact CD2-CD1 3.87Å; L84-L86 HydrophobicContact CG-CD1 4.27Å; L84-F197 HydrophobicContact CD2-CD1 3.45Å; L84-F197 VanDerWaalsContact CD2-CD1 3.45Å; L84-F197 HydrophobicContact CD2-CE1 3.68Å; L84-F197 HydrophobicContact CD2-CG 4.44Å
85	Q	57.5	Low	52.7	Low	51 Å²	51	50 Å²	50	24%	0.238	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.6	160.9	-71.2	-176.8	-17.1	0	0	108.5	V8 Y9 L11	V8-Q85 HydrophobicContact CG1-CG 4.35Å; Y9-Q85 PolarHBondContact O-N 3.13Å; L11-Q85 CarbonylContact C-O 3.57Å; L11-Q85 PolarHBondContact N-O 3.05Å
86	L	54.3	Low	53.4	Low	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.4	-171.7	-151.9	70.2	0	0	0	110.1	L11 L13 F25 F28 L84 F197	L11-L86 HydrophobicContact CB-CD1 4.33Å; L11-L86 HydrophobicContact CD2-CD1 3.82Å; L11-L86 HydrophobicContact CG-CD1 4.26Å; L11-L86 WeakPolarHBondContact O-CA 3.32Å; L13-L86 HydrophobicContact CD1-CD1 3.04Å; L13-L86 HydrophobicContact CD1-CD2 3.83Å; L13-L86 HydrophobicContact CD1-CG 3.22Å; L13-L86 HydrophobicContact CD2-CD2 4.42Å; L13-L86 HydrophobicContact CG-CD1 4.45Å; F25-L86 HydrophobicContact CB-CD2 3.85Å; F25-L86 HydrophobicContact CD2-CB 3.68Å; F25-L86 HydrophobicContact CD2-CD2 3.4Å; F25-L86 VanDerWaalsContact CD2-CD2 3.4Å; F25-L86 HydrophobicContact CD2-CG 3.78Å; F25-L86 HydrophobicContact CE2-CB 3.61Å; F25-L86 HydrophobicContact CE2-CD2 4.17Å; F25-L86 HydrophobicContact CE2-CG 4.24Å; F25-L86 WeakPolarHBondContact CE2-O 3.5Å; F25-L86 HydrophobicContact CG-CD2 3.9Å; F28-L86 HydrophobicContact CB-CD2 4.3Å; F28-L86 HydrophobicContact CD1-CD2 4.43Å; F28-L86 HydrophobicContact CG-CD2 4.45Å; L84-L86 HydrophobicContact CD2-CD1 3.87Å; L84-L86 HydrophobicContact CG-CD1 4.27Å; L86-F197 HydrophobicContact CD1-CE1 4.11Å; L86-F197 HydrophobicContact CD2-CZ 4.3Å
87	W	62	Low	54.1	Low	37 Å²	37	49 Å²	49	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.1	-176.2	-63.3	68.5	0	0	0	108.7	L11 V12 L13 F45 N47 Y102	L11-W87 PolarHBondContact O-N 2.88Å; V12-W87 HydrophobicContact CB-CB 4.4Å; V12-W87 HydrophobicContact CG1-CB 4.17Å; V12-W87 HydrophobicContact CG2-CB 4.02Å; V12-W87 HydrophobicContact CG2-CG 4.12Å; L13-W87 PolarHBondContact N-O 3.38Å; F45-W87 HydrophobicContact CD1-CD2 4.17Å; F45-W87 AromaticContact CD1-CE3 3.32Å; F45-W87 HydrophobicContact CD1-CE3 3.32Å; F45-W87 AromaticContact CD1-CZ3 3.49Å; F45-W87 HydrophobicContact CD1-CZ3 3.49Å; F45-W87 VanDerWaalsContact CD1-CZ3 3.49Å; F45-W87 HydrophobicContact CE1-CB 4.16Å; F45-W87 AromaticContact CE1-CD2 3.98Å; F45-W87 HydrophobicContact CE1-CD2 3.98Å; F45-W87 AromaticContact CE1-CE3 3.1Å; F45-W87 HydrophobicContact CE1-CE3 3.1Å; F45-W87 HydrophobicContact CE1-CG 4.45Å; F45-W87 AromaticContact CE1-CZ3 3.69Å; F45-W87 HydrophobicContact CE1-CZ3 3.69Å; F45-W87 HydrophobicContact CG-CZ3 4.4Å; F45-W87 HydrophobicContact CZ-CE3 4.16Å; N47-W87 VanDerWaalsContact OD1-CZ2 3.3Å; N47-W87 WeakPolarHBondContact OD1-CZ2 3.21Å; W87-Y102 HydrophobicContact CD2-CD1 4.46Å; W87-Y102 AromaticContact CE3-CD1 3.23Å; W87-Y102 HydrophobicContact CE3-CD1 3.23Å; W87-Y102 AromaticContact CE3-CE1 3.92Å; W87-Y102 HydrophobicContact CE3-CE1 3.92Å; W87-Y102 AromaticContact CE3-CG 3.87Å; W87-Y102 HydrophobicContact CE3-CG 3.87Å; W87-Y102 AromaticContact CZ3-CD1 3.33Å; W87-Y102 HydrophobicContact CZ3-CD1 3.33Å; W87-Y102 AromaticContact CZ3-CE1 3.7Å; W87-Y102 HydrophobicContact CZ3-CE1 3.7Å; W87-Y102 HydrophobicContact CZ3-CG 4.38Å
88	D	60.1	Low	54.6	Low	23 Å²	23	45.3 Å²	45.3	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.8	177.1	-173.8	8.2	0	0	0	110.1	K21 S22 G90	K21-D88 VanDerWaalsContact CB-OD1 3.23Å; K21-D88 WeakPolarHBondContact CB-OD1 3.3Å; K21-D88 WeakPolarHBondContact CE-OD1 3.43Å; S22-D88 WeakPolarHBondContact CA-OD2 3.39Å; S22-D88 VanDerWaalsContact CB-OD2 3.24Å; S22-D88 WeakPolarHBondContact CB-OD2 3.48Å; S22-D88 PolarHBondContact N-OD2 2.62Å; S22-D88 PolarHBondContact OG-OD2 3.42Å; D88-G90 VanDerWaalsContact C-N 3.3Å; D88-G90 PolarHBondContact OD1-N 3.33Å
89	T	59.4	Low	55.3	Low	10 Å²	10	45.2 Å²	45.2	6%	0.061	25%	0.254	C	S	.	.			trans	-84.7	1.2	177	58.7	0	0	0	0	113.8	G91 L92	T89-G91 PolarHBondContact O-N 2.89Å; T89-L92 PolarHBondContact O-N 2.95Å
90	G	56.6	Low	55.7	Low	29 Å²	29	45.3 Å²	45.3	30%	0.299	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	120.5	-172.9	0	0	0	0	0	114.4	D88	D88-G90 VanDerWaalsContact C-N 3.3Å; D88-G90 PolarHBondContact OD1-N 3.33Å
91	G	53.7	Low	56.2	Low	60 Å²	60	48.4 Å²	48.4	62%	0.619	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-1.9	176.7	0	0	0	0	0	114.4	T89 E93	T89-G91 PolarHBondContact O-N 2.89Å; G91-E93 PolarHBondContact N-OE2 3.45Å
92	L	54.2	Low	56.7	Low	65 Å²	65	50.6 Å²	50.6	34%	0.34	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	6.9	179.7	-92.1	157.3	0	0	0	113	T89 R94 V95 V98	T89-L92 PolarHBondContact O-N 2.95Å; L92-R94 PolarHBondContact O-N 3.43Å; L92-V95 HydrophobicContact CD2-CB 3.93Å; L92-V95 HydrophobicContact CD2-CG2 3.79Å; L92-V95 PolarHBondContact O-N 3.19Å; L92-V98 HydrophobicContact CD1-CG1 4.22Å; L92-V98 HydrophobicContact CD2-CB 4.45Å; L92-V98 HydrophobicContact CD2-CG1 4.05Å
93	E	57	Low	56.8	Low	55 Å²	55	50.7 Å²	50.7	26%	0.257	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-23	176.8	60.2	-88.7	-169	0	0	113.2	G91 V95	G91-E93 PolarHBondContact N-OE2 3.45Å; E93-V95 PolarHBondContact O-N 3.23Å
94	R	51.8	Low	57.5	Low	233 Å²	233	55.8 Å²	55.8	88%	0.879	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.4	179	-57.7	-172.3	-177.1	-159.5	-1.6	115	L92	L92-R94 PolarHBondContact O-N 3.43Å
95	V	51.6	Low	58.2	Low	62 Å²	62	63.7 Å²	63.7	38%	0.376	35%	0.351	S	S	.	.			trans	-118.9	84.3	-178	-170.2	0	0	0	0	110.6	L92 E93 T97 V98 T99	L92-V95 HydrophobicContact CD2-CB 3.93Å; L92-V95 HydrophobicContact CD2-CG2 3.79Å; L92-V95 PolarHBondContact O-N 3.19Å; E93-V95 PolarHBondContact O-N 3.23Å; V95-T97 VanDerWaalsContact C-N 3.26Å; V95-T97 PolarHBondContact O-N 2.88Å; V95-T97 VanDerWaalsContact O-N 3.11Å; V95-V98 HydrophobicContact CB-CB 4.26Å; V95-V98 HydrophobicContact CB-CG2 4.33Å; V95-V98 HydrophobicContact CG1-CB 4.01Å; V95-V98 HydrophobicContact CG1-CG2 3.64Å; V95-V98 WeakPolarHBondContact O-CB 3.24Å; V95-V98 PolarHBondContact O-N 3.28Å; V95-T99 PolarHBondContact O-N 3.07Å; V95-T99 PolarHBondContact O-OG1 3.36Å
96	A	50.7	Low	59.3	Low	77 Å²	77	61.7 Å²	61.7	64%	0.636	34%	0.342	S	S	*	.	H	α-helix	trans	-50.6	-38.4	-175.2	0	0	0	0	0	114.7	V98 T99 S100	A96-V98 VanDerWaalsContact C-N 3.29Å; A96-V98 PolarHBondContact O-N 3.29Å; A96-T99 WeakPolarHBondContact O-CB 3.33Å; A96-T99 PolarHBondContact O-N 2.99Å; A96-S100 PolarHBondContact O-N 2.81Å; A96-S100 VanDerWaalsContact O-N 3.1Å
97	T	48.7	Very low	60.9	Low	113 Å²	113	62.8 Å²	62.8	69%	0.693	35%	0.348	S	S	*	.	H	α-helix	trans	-64.6	-35	-179.2	-39	0	0	0	0	112.7	V95 S100	V95-T97 VanDerWaalsContact C-N 3.26Å; V95-T97 PolarHBondContact O-N 2.88Å; V95-T97 VanDerWaalsContact O-N 3.11Å; T97-S100 PolarHBondContact O-OG 2.98Å
98	V	51	Low	62.3	Low	45 Å²	45	61 Å²	61	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-74.3	-41.4	179.5	169.8	0	0	0	0	108.6	L92 V95 A96 Y102	L92-V98 HydrophobicContact CD1-CG1 4.22Å; L92-V98 HydrophobicContact CD2-CB 4.45Å; L92-V98 HydrophobicContact CD2-CG1 4.05Å; V95-V98 HydrophobicContact CB-CB 4.26Å; V95-V98 HydrophobicContact CB-CG2 4.33Å; V95-V98 HydrophobicContact CG1-CB 4.01Å; V95-V98 HydrophobicContact CG1-CG2 3.64Å; V95-V98 WeakPolarHBondContact O-CB 3.24Å; V95-V98 PolarHBondContact O-N 3.28Å; A96-V98 VanDerWaalsContact C-N 3.29Å; A96-V98 PolarHBondContact O-N 3.29Å; V98-Y102 HydrophobicContact CB-CE2 4.35Å; V98-Y102 HydrophobicContact CG1-CD2 4.33Å; V98-Y102 HydrophobicContact CG1-CE2 3.25Å; V98-Y102 VanDerWaalsContact CG1-OH 3.31Å; V98-Y102 WeakPolarHBondContact CG1-OH 3.23Å; V98-Y102 WeakPolarHBondContact O-CD2 3.49Å; V98-Y102 WeakPolarHBondContact O-CE2 3.27Å
99	T	59.4	Low	63.7	Low	10 Å²	10	60 Å²	60	6%	0.061	34%	0.336	C	S	.	.	H	α-helix	trans	-59	-46.8	177.3	-52.2	0	0	0	0	114.3	V95 A96 S101 Y102 F103	V95-T99 PolarHBondContact O-N 3.07Å; V95-T99 PolarHBondContact O-OG1 3.36Å; A96-T99 WeakPolarHBondContact O-CB 3.33Å; A96-T99 PolarHBondContact O-N 2.99Å; T99-S101 VanDerWaalsContact C-N 3.33Å; T99-S101 PolarHBondContact O-N 2.96Å; T99-Y102 PolarHBondContact O-N 3.43Å; T99-Y102 VanDerWaalsContact O-N 3.11Å; T99-F103 HydrophobicContact CG2-CD2 3.72Å; T99-F103 HydrophobicContact CG2-CE2 3.38Å; T99-F103 VanDerWaalsContact O-CD2 3.31Å; T99-F103 WeakPolarHBondContact O-CD2 3.22Å; T99-F103 PolarHBondContact O-N 2.9Å
100	S	60.2	Low	65.3	Low	54 Å²	54	59.5 Å²	59.5	38%	0.378	33%	0.333	S	S	.	.	H	α-helix	trans	-62.5	-36.4	-173.6	72.3	0	0	0	0	113.5	A96 T97 Y102 F103 K104	A96-S100 PolarHBondContact O-N 2.81Å; A96-S100 VanDerWaalsContact O-N 3.1Å; T97-S100 PolarHBondContact O-OG 2.98Å; S100-Y102 VanDerWaalsContact C-N 3.27Å; S100-Y102 PolarHBondContact O-N 2.87Å; S100-F103 PolarHBondContact O-N 3.43Å; S100-K104 PolarHBondContact O-N 3.41Å
101	S	64.3	Low	67.1	Low	79 Å²	79	58.1 Å²	58.1	55%	0.552	32%	0.319	S	S	*	.	H	α-helix	trans	-66	-29.5	178.6	-64.3	0	0	0	0	112.5	T99	T99-S101 VanDerWaalsContact C-N 3.33Å; T99-S101 PolarHBondContact O-N 2.96Å
102	Y	63.6	Low	69	Low	47 Å²	47	55.2 Å²	55.2	18%	0.184	29%	0.289	C	S	.	.	H	α-helix	trans	-78.4	-35	-179.8	-57.5	-44.4	0	0	0	113.1	K10 V12 F45 W87 V98 T99 S100 K104	K10-Y102 WeakPolarHBondContact CE-O 3.33Å; K10-Y102 PolarHBondContact NZ-O 3.3Å; V12-Y102 WeakPolarHBondContact CG2-O 3.39Å; F45-Y102 HydrophobicContact CD1-CD1 4.48Å; F45-Y102 HydrophobicContact CD1-CE1 4.16Å; F45-Y102 HydrophobicContact CD2-CE1 4.13Å; F45-Y102 AromaticContact CD2-CZ 3.83Å; F45-Y102 WeakPolarHBondContact CD2-OH 3.48Å; F45-Y102 AromaticContact CE1-CD1 3.77Å; F45-Y102 HydrophobicContact CE1-CD1 3.77Å; F45-Y102 HydrophobicContact CE1-CD2 4.21Å; F45-Y102 AromaticContact CE1-CE1 3.68Å; F45-Y102 HydrophobicContact CE1-CE1 3.68Å; F45-Y102 HydrophobicContact CE1-CE2 4.1Å; F45-Y102 HydrophobicContact CE1-CG 4.05Å; F45-Y102 AromaticContact CE1-CZ 3.89Å; F45-Y102 HydrophobicContact CE2-CD1 4.4Å; F45-Y102 HydrophobicContact CE2-CD2 4.2Å; F45-Y102 AromaticContact CE2-CE1 3.6Å; F45-Y102 HydrophobicContact CE2-CE1 3.6Å; F45-Y102 AromaticContact CE2-CE2 3.34Å; F45-Y102 HydrophobicContact CE2-CE2 3.34Å; F45-Y102 AromaticContact CE2-CZ 3.01Å; F45-Y102 WeakPolarHBondContact CE2-OH 3.24Å; F45-Y102 HydrophobicContact CG-CE1 4.4Å; F45-Y102 AromaticContact CZ-CD1 3.7Å; F45-Y102 HydrophobicContact CZ-CD1 3.7Å; F45-Y102 AromaticContact CZ-CD2 3.47Å; F45-Y102 HydrophobicContact CZ-CD2 3.47Å; F45-Y102 VanDerWaalsContact CZ-CD2 3.47Å; F45-Y102 AromaticContact CZ-CE1 3.36Å; F45-Y102 HydrophobicContact CZ-CE1 3.36Å; F45-Y102 AromaticContact CZ-CE2 3.07Å; F45-Y102 HydrophobicContact CZ-CE2 3.07Å; F45-Y102 AromaticContact CZ-CG 3.76Å; F45-Y102 HydrophobicContact CZ-CG 3.76Å; F45-Y102 AromaticContact CZ-CZ 3.05Å; W87-Y102 HydrophobicContact CD2-CD1 4.46Å; W87-Y102 AromaticContact CE3-CD1 3.23Å; W87-Y102 HydrophobicContact CE3-CD1 3.23Å; W87-Y102 AromaticContact CE3-CE1 3.92Å; W87-Y102 HydrophobicContact CE3-CE1 3.92Å; W87-Y102 AromaticContact CE3-CG 3.87Å; W87-Y102 HydrophobicContact CE3-CG 3.87Å; W87-Y102 AromaticContact CZ3-CD1 3.33Å; W87-Y102 HydrophobicContact CZ3-CD1 3.33Å; W87-Y102 AromaticContact CZ3-CE1 3.7Å; W87-Y102 HydrophobicContact CZ3-CE1 3.7Å; W87-Y102 HydrophobicContact CZ3-CG 4.38Å; V98-Y102 HydrophobicContact CB-CE2 4.35Å; V98-Y102 HydrophobicContact CG1-CD2 4.33Å; V98-Y102 HydrophobicContact CG1-CE2 3.25Å; V98-Y102 VanDerWaalsContact CG1-OH 3.31Å; V98-Y102 WeakPolarHBondContact CG1-OH 3.23Å; V98-Y102 WeakPolarHBondContact O-CD2 3.49Å; V98-Y102 WeakPolarHBondContact O-CE2 3.27Å; T99-Y102 PolarHBondContact O-N 3.43Å; T99-Y102 VanDerWaalsContact O-N 3.11Å; S100-Y102 VanDerWaalsContact C-N 3.27Å; S100-Y102 PolarHBondContact O-N 2.87Å; Y102-K104 VanDerWaalsContact C-N 3.29Å
103	F	65.4	Low	70.9	Confident	3 Å²	3	52.1 Å²	52.1	1%	0.013	27%	0.273	C	S	.	.	H	α-helix	trans	-72.9	-26.2	175.7	-79.9	-70.3	0	0	0	112.6	V12 C14 T99 S100 F105 S106 V109 A131 S134 A135	V12-F103 HydrophobicContact CB-CD1 4.2Å; V12-F103 HydrophobicContact CB-CE1 4.15Å; V12-F103 HydrophobicContact CG1-CD1 3.9Å; V12-F103 HydrophobicContact CG1-CE1 3.6Å; V12-F103 HydrophobicContact CG1-CZ 4.02Å; C14-F103 HydrophobicContact CB-CE1 4.38Å; C14-F103 HydrophobicContact CB-CZ 3.76Å; T99-F103 HydrophobicContact CG2-CD2 3.72Å; T99-F103 HydrophobicContact CG2-CE2 3.38Å; T99-F103 VanDerWaalsContact O-CD2 3.31Å; T99-F103 WeakPolarHBondContact O-CD2 3.22Å; T99-F103 PolarHBondContact O-N 2.9Å; S100-F103 PolarHBondContact O-N 3.43Å; F103-F105 PolarHBondContact O-N 2.86Å; F103-S106 WeakPolarHBondContact O-CB 3.42Å; F103-S106 PolarHBondContact O-N 3.15Å; F103-S106 PolarHBondContact O-OG 3.3Å; F103-V109 HydrophobicContact CD1-CG2 4Å; F103-V109 HydrophobicContact CE1-CG1 3.87Å; F103-V109 HydrophobicContact CE1-CG2 4.01Å; F103-A131 HydrophobicContact CD1-CB 4.17Å; F103-A131 HydrophobicContact CE1-CB 3.52Å; F103-A131 HydrophobicContact CZ-CB 3.76Å; F103-S134 CarbonylContact C-O 3.25Å; F103-A135 HydrophobicContact CB-CB 4.06Å; F103-A135 HydrophobicContact CD1-CB 4.15Å
104	K	70.1	Confident	72.6	Confident	118 Å²	118	49.5 Å²	49.5	51%	0.513	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	129.7	179.8	-155.1	179.4	-174.8	177	0	111.6	K10 S100 Y102 S106	K10-K104 PolarHBondContact NZ-O 3.08Å; S100-K104 PolarHBondContact O-N 3.41Å; Y102-K104 VanDerWaalsContact C-N 3.29Å; K104-S106 PolarHBondContact O-N 2.68Å
105	F	71.6	Confident	74.5	Confident	167 Å²	167	38.5 Å²	38.5	73%	0.732	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	17.2	-179.7	-44.2	-64.3	0	0	0	115.8	F103 N107	F103-F105 PolarHBondContact O-N 2.86Å; F105-N107 PolarHBondContact O-N 3.27Å
106	S	80.5	Confident	76.4	Confident	8 Å²	8	38.6 Å²	38.6	6%	0.056	22%	0.218	C	C	.	.			trans	-64.5	135.2	172.9	-57.7	0	0	0	0	110.6	V12 F103 K104 A138	V12-S106 WeakPolarHBondContact CG2-OG 3.28Å; F103-S106 WeakPolarHBondContact O-CB 3.42Å; F103-S106 PolarHBondContact O-N 3.15Å; F103-S106 PolarHBondContact O-OG 3.3Å; K104-S106 PolarHBondContact O-N 2.68Å; S106-A138 WeakPolarHBondContact O-CB 3.26Å
107	N	87.1	Confident	78.2	Confident	24 Å²	24	36.5 Å²	36.5	13%	0.128	20%	0.2	C	C	.	.	S	Bend	trans	-86.1	-28.7	172.5	-61.3	109.7	0	0	0	111	Y9 K10 F105 A138 R139 L204	Y9-N107 VanDerWaalsContact CA-OD1 3.31Å; Y9-N107 WeakPolarHBondContact CA-OD1 3.16Å; Y9-N107 HydrophobicContact CD1-CB 3.84Å; K10-N107 PolarHBondContact N-OD1 2.84Å; K10-N107 PolarHBondContact O-N 3Å; F105-N107 PolarHBondContact O-N 3.27Å; N107-A138 WeakPolarHBondContact O-CA 3.23Å; N107-R139 PolarHBondContact O-N 2.68Å; N107-L204 HydrophobicContact CB-CD2 4.35Å; N107-L204 WeakPolarHBondContact O-CD2 3.33Å
108	G	90.7	Very high	80.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.3	172.1	0	0	0	0	0	113	K10 L11 V12 R139	K10-G108 PolarHBondContact O-N 3.26Å; L11-G108 WeakPolarHBondContact CA-O 3.34Å; V12-G108 PolarHBondContact N-O 2.77Å; V12-G108 VanDerWaalsContact N-O 3.12Å; G108-R139 CarbonylContact C-O 3.55Å; G108-R139 WeakPolarHBondContact CA-O 2.94Å
109	V	90.7	Very high	82	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.4	170	-179.8	0	0	0	0	108.7	V12 C14 F103 L111 A131 A135 A138 R139 F140 F141	V12-V109 WeakPolarHBondContact O-CA 3.47Å; C14-V109 WeakPolarHBondContact SG-CG1 3.37Å; F103-V109 HydrophobicContact CD1-CG2 4Å; F103-V109 HydrophobicContact CE1-CG1 3.87Å; F103-V109 HydrophobicContact CE1-CG2 4.01Å; V109-L111 HydrophobicContact CG1-CD1 3.76Å; V109-A131 HydrophobicContact CG1-CB 4.04Å; V109-A135 HydrophobicContact CG2-CB 4.07Å; V109-A138 HydrophobicContact CG2-CB 3.92Å; V109-R139 PolarHBondContact N-O 3.39Å; V109-F140 HydrophobicContact CB-CD1 3.74Å; V109-F140 HydrophobicContact CB-CE1 3.78Å; V109-F140 HydrophobicContact CB-CG 4.44Å; V109-F140 HydrophobicContact CB-CZ 4.48Å; V109-F140 HydrophobicContact CG1-CD1 4.14Å; V109-F140 HydrophobicContact CG1-CE1 4.12Å; V109-F140 HydrophobicContact CG2-CD1 4.32Å; V109-F140 HydrophobicContact CG2-CE1 3.88Å; V109-F140 HydrophobicContact CG2-CZ 4.18Å; V109-F140 WeakPolarHBondContact O-CA 3.3Å; V109-F141 PolarHBondContact O-N 2.77Å
110	L	93.3	Very high	83.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106	173.1	-171.9	66.2	0	0	0	108.9	L11 V12 L13 C14 L24 V112 F141 C143 Y183 M196 I200	L11-L110 HydrophobicContact CD1-CB 4.2Å; L11-L110 HydrophobicContact CD2-CB 4.26Å; L11-L110 HydrophobicContact CG-CB 4.35Å; V12-L110 PolarHBondContact O-N 2.81Å; L13-L110 WeakPolarHBondContact CA-O 3.45Å; L13-L110 HydrophobicContact CG-CD2 4.4Å; C14-L110 PolarHBondContact N-O 3.28Å; L24-L110 HydrophobicContact CD1-CD2 4.29Å; L110-V112 HydrophobicContact CD2-CG2 4.29Å; L110-V112 HydrophobicContact CG-CG2 4.09Å; L110-F141 HydrophobicContact CD1-CB 3.56Å; L110-C143 HydrophobicContact CD1-CB 3.73Å; L110-C143 HydrophobicContact CD2-CB 4.23Å; L110-C143 HydrophobicContact CG-CB 3.93Å; L110-Y183 HydrophobicContact CD1-CD2 4.48Å; L110-M196 HydrophobicContact CD1-SD 4.37Å; L110-M196 HydrophobicContact CD2-CE 3.88Å; L110-M196 HydrophobicContact CD2-SD 4.18Å; L110-I200 HydrophobicContact CD1-CD1 3.86Å; L110-I200 HydrophobicContact CD2-CD1 4.4Å
111	L	92.8	Very high	85.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127	170.9	-81.1	82.8	0	0	0	108.3	V109 L124 H127 L128 F140 F141 L142 C143 F179	V109-L111 HydrophobicContact CG1-CD1 3.76Å; L111-L124 HydrophobicContact CB-CD2 4.02Å; L111-L124 HydrophobicContact CD2-CD2 3.97Å; L111-H127 HydrophobicContact CD2-CB 4.42Å; L111-L128 HydrophobicContact CD1-CD1 4.45Å; L111-L128 HydrophobicContact CD2-CB 3.83Å; L111-L128 HydrophobicContact CD2-CD1 4.24Å; L111-F140 HydrophobicContact CD1-CD1 3.84Å; L111-F141 PolarHBondContact N-O 3.07Å; L111-L142 HydrophobicContact CB-CD1 3.84Å; L111-L142 CarbonylContact O-C 3.57Å; L111-C143 PolarHBondContact O-N 3.42Å; L111-F179 HydrophobicContact CB-CE1 4.43Å; L111-F179 HydrophobicContact CD1-CE1 4.04Å; L111-F179 HydrophobicContact CD2-CE1 4.36Å; L111-F179 HydrophobicContact CD2-CZ 4.18Å; L111-F179 HydrophobicContact CG-CE1 4.5Å
112	V	93.8	Very high	86.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.3	-175.3	-169	0	0	0	0	109.7	L13 C14 V19 K21 L24 L110 C143 N145	L13-V112 HydrophobicContact CD2-CG2 4.34Å; L13-V112 HydrophobicContact CG-CG2 4.28Å; C14-V112 PolarHBondContact O-N 2.85Å; V19-V112 HydrophobicContact CB-CG1 4.27Å; V19-V112 HydrophobicContact CG2-CB 3.96Å; V19-V112 HydrophobicContact CG2-CG1 3.76Å; V19-V112 WeakPolarHBondContact CG2-O 3.41Å; K21-V112 HydrophobicContact CG-CB 4.27Å; K21-V112 HydrophobicContact CG-CG2 4.39Å; L24-V112 HydrophobicContact CD1-CG1 3.88Å; L24-V112 HydrophobicContact CD1-CG2 3.8Å; L110-V112 HydrophobicContact CD2-CG2 4.29Å; L110-V112 HydrophobicContact CG-CG2 4.09Å; V112-C143 WeakPolarHBondContact CA-O 3.11Å; V112-C143 HydrophobicContact CG1-CB 4.49Å; V112-C143 HydrophobicContact CG2-CB 4.25Å; V112-N145 HydrophobicContact CG1-CB 4.36Å
113	F	94.1	Very high	87.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	168.1	166.2	74.6	-83.6	0	0	0	109.2	Y115 F121 L124 L142 C143 N145 F159 V164 L182	F113-Y115 HydrophobicContact CE2-CD1 4.48Å; F113-Y115 HydrophobicContact CE2-CD2 4.12Å; F113-Y115 HydrophobicContact CE2-CE1 4.42Å; F113-Y115 HydrophobicContact CE2-CE2 4.04Å; F113-Y115 HydrophobicContact CE2-CG 4.33Å; F113-Y115 HydrophobicContact CZ-CE2 4.06Å; F113-F121 HydrophobicContact CB-CB 4.48Å; F113-F121 HydrophobicContact CD1-CD2 4.37Å; F113-F121 HydrophobicContact CD2-CB 4.13Å; F113-F121 HydrophobicContact CD2-CD2 4.16Å; F113-F121 HydrophobicContact CE1-CD2 4.42Å; F113-F121 HydrophobicContact CE2-CD2 4.25Å; F113-F121 HydrophobicContact CG-CB 4.41Å; F113-F121 HydrophobicContact CG-CD2 4.23Å; F113-F121 HydrophobicContact CZ-CD2 4.37Å; F113-L124 HydrophobicContact CB-CD1 4.27Å; F113-L124 HydrophobicContact CB-CD2 4.36Å; F113-L124 HydrophobicContact CB-CG 4.43Å; F113-L124 HydrophobicContact CD1-CD1 3.96Å; F113-L124 HydrophobicContact CG-CD1 4.28Å; F113-L142 HydrophobicContact CD1-CD1 3.88Å; F113-L142 HydrophobicContact CD1-CG 4.25Å; F113-L142 HydrophobicContact CE1-CD1 4.13Å; F113-L142 HydrophobicContact CE1-CD2 4.2Å; F113-L142 HydrophobicContact CE1-CG 3.98Å; F113-C143 WeakPolarHBondContact CD1-O 3.49Å; F113-C143 PolarHBondContact N-O 3.5Å; F113-N145 PolarHBondContact O-N 3.49Å; F113-F159 HydrophobicContact CD2-CE1 4.35Å; F113-F159 HydrophobicContact CD2-CZ 4.19Å; F113-F159 AromaticContact CE2-CE1 3.8Å; F113-F159 HydrophobicContact CE2-CE1 3.8Å; F113-F159 AromaticContact CE2-CZ 3.64Å; F113-F159 HydrophobicContact CE2-CZ 3.64Å; F113-F159 HydrophobicContact CZ-CZ 4.32Å; F113-V164 HydrophobicContact CE1-CG1 3.88Å; F113-V164 HydrophobicContact CE2-CG2 4.13Å; F113-V164 HydrophobicContact CZ-CB 4.39Å; F113-V164 HydrophobicContact CZ-CG1 3.71Å; F113-V164 HydrophobicContact CZ-CG2 3.65Å; F113-L182 HydrophobicContact CE1-CD1 4.49Å
114	A	93.5	Very high	88.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.7	172.4	0	0	0	0	0	110.9	V19 D116 A117 S120 N145 K146	V19-A114 HydrophobicContact CB-CB 4.17Å; V19-A114 HydrophobicContact CG1-CB 4.44Å; A114-D116 VanDerWaalsContact CB-OD1 3.23Å; A114-D116 WeakPolarHBondContact CB-OD1 3.47Å; A114-D116 PolarHBondContact O-N 3.38Å; A114-A117 HydrophobicContact CB-CB 4.38Å; A114-A117 CarbonylContact O-C 3.54Å; A114-A117 PolarHBondContact O-N 3.42Å; A114-A117 VanDerWaalsContact O-N 3.07Å; A114-S120 PolarHBondContact N-OG 2.88Å; A114-S120 VanDerWaalsContact N-OG 3.08Å; A114-N145 WeakPolarHBondContact CA-O 3.33Å; A114-K146 HydrophobicContact CB-CD 3.91Å; A114-K146 HydrophobicContact CB-CG 4.1Å
115	Y	92.2	Very high	89.7	Confident	1 Å²	1	33.4 Å²	33.4	0%	0.004	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23	-179.6	-78.5	-94.8	0	0	0	113.1	F113 A117 N145 I147 Y150 T155 F159 D161 R184	F113-Y115 HydrophobicContact CE2-CD1 4.48Å; F113-Y115 HydrophobicContact CE2-CD2 4.12Å; F113-Y115 HydrophobicContact CE2-CE1 4.42Å; F113-Y115 HydrophobicContact CE2-CE2 4.04Å; F113-Y115 HydrophobicContact CE2-CG 4.33Å; F113-Y115 HydrophobicContact CZ-CE2 4.06Å; Y115-A117 VanDerWaalsContact C-N 3.31Å; Y115-N145 WeakPolarHBondContact CD2-O 3.33Å; Y115-N145 PolarHBondContact N-O 3.09Å; Y115-I147 HydrophobicContact CD2-CG2 3.81Å; Y115-I147 HydrophobicContact CE2-CG2 3.63Å; Y115-Y150 HydrophobicContact CG-CD2 4.35Å; Y115-Y150 WeakPolarHBondContact O-CE2 3.41Å; Y115-Y150 PolarHBondContact O-OH 2.84Å; Y115-T155 WeakPolarHBondContact O-CG2 3.27Å; Y115-F159 HydrophobicContact CD1-CD1 4.42Å; Y115-F159 AromaticContact CD1-CE1 3.91Å; Y115-F159 HydrophobicContact CD1-CE1 3.91Å; Y115-F159 HydrophobicContact CE1-CE1 4.31Å; Y115-D161 WeakPolarHBondContact CE1-OD1 3.43Å; Y115-D161 PolarHBondContact OH-OD1 3.38Å; Y115-R184 PolarHBondContact OH-NE 3.01Å; Y115-R184 VanDerWaalsContact OH-NE 3.14Å
116	D	90.8	Very high	90.4	Very high	65 Å²	65	30.9 Å²	30.9	35%	0.348	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.6	176.2	71.6	-19.9	0	0	0	114.1	A114 K146 L149 Y150	A114-D116 VanDerWaalsContact CB-OD1 3.23Å; A114-D116 WeakPolarHBondContact CB-OD1 3.47Å; A114-D116 PolarHBondContact O-N 3.38Å; D116-K146 VanDerWaalsContact CG-CD 3.49Å; D116-K146 VanDerWaalsContact OD1-CD 3.26Å; D116-K146 WeakPolarHBondContact OD1-CD 3.1Å; D116-K146 WeakPolarHBondContact OD1-CE 3.49Å; D116-K146 IonicContact OD1-NZ 2.74Å; D116-K146 PolarHBondContact OD1-NZ 3.19Å; D116-K146 VanDerWaalsContact OD2-CD 3.26Å; D116-K146 WeakPolarHBondContact OD2-CD 3.47Å; D116-K146 IonicContact OD2-NZ 3.08Å; D116-K146 PolarHBondContact OD2-NZ 2.88Å; D116-L149 HydrophobicContact CB-CD1 3.83Å; D116-Y150 WeakPolarHBondContact CA-OH 3.47Å; D116-Y150 HydrophobicContact CB-CE2 3.88Å
117	A	88.6	Confident	90.7	Very high	33 Å²	33	31.1 Å²	31.1	27%	0.273	17%	0.171	S	C	.	.			trans	-131.7	79.9	-175.7	0	0	0	0	0	109.2	A114 Y115 D119 S120	A114-A117 HydrophobicContact CB-CB 4.38Å; A114-A117 CarbonylContact O-C 3.54Å; A114-A117 PolarHBondContact O-N 3.42Å; A114-A117 VanDerWaalsContact O-N 3.07Å; Y115-A117 VanDerWaalsContact C-N 3.31Å; A117-D119 PolarHBondContact O-N 3.49Å; A117-S120 WeakPolarHBondContact O-CA 3.35Å; A117-S120 VanDerWaalsContact O-CB 3.3Å; A117-S120 WeakPolarHBondContact O-CB 3.37Å; A117-S120 PolarHBondContact O-N 3.09Å; A117-S120 PolarHBondContact O-OG 2.89Å
118	V	88.9	Confident	90.7	Very high	45 Å²	45	30.2 Å²	30.2	27%	0.273	17%	0.167	S	C	.	.	H	α-helix	trans	-54.4	-37.6	-177.4	-179.6	0	0	0	0	111.9	S120 F121 N122 A157 F159	V118-S120 PolarHBondContact O-N 2.96Å; V118-F121 WeakPolarHBondContact O-CB 3.03Å; V118-F121 PolarHBondContact O-N 2.81Å; V118-N122 PolarHBondContact O-N 2.98Å; V118-A157 HydrophobicContact CG2-CB 4.2Å; V118-F159 HydrophobicContact CG1-CB 4.43Å; V118-F159 HydrophobicContact CG2-CB 4.13Å
119	D	90.7	Very high	90.5	Very high	114 Å²	114	35.5 Å²	35.5	61%	0.61	19%	0.194	S	C	*	.	H	α-helix	trans	-58.7	-34.2	176	-62.8	-36.3	0	0	0	112.6	A117 F121 N122 N123	A117-D119 PolarHBondContact O-N 3.49Å; D119-F121 PolarHBondContact O-N 3.12Å; D119-N122 PolarHBondContact O-N 2.89Å; D119-N122 VanDerWaalsContact O-N 3.15Å; D119-N123 WeakPolarHBondContact O-CB 3.31Å; D119-N123 PolarHBondContact O-N 3.19Å; D119-N123 PolarHBondContact O-ND2 2.8Å
120	S	91.1	Very high	90.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-26.6	176.9	75.1	0	0	0	0	113.5	D16 A114 A117 V118	D16-S120 WeakPolarHBondContact OD2-CA 3.31Å; A114-S120 PolarHBondContact N-OG 2.88Å; A114-S120 VanDerWaalsContact N-OG 3.08Å; A117-S120 WeakPolarHBondContact O-CA 3.35Å; A117-S120 VanDerWaalsContact O-CB 3.3Å; A117-S120 WeakPolarHBondContact O-CB 3.37Å; A117-S120 PolarHBondContact O-N 3.09Å; A117-S120 PolarHBondContact O-OG 2.89Å; V118-S120 PolarHBondContact O-N 2.96Å
121	F	92.6	Very high	89.7	Confident	20 Å²	20	38.1 Å²	38.1	9%	0.088	21%	0.207	C	C	.	.	H	α-helix	trans	-77.3	-45.9	170.9	178	-96.2	0	0	0	110.7	F113 V118 D119 N123 L124 F159 V164 F167	F113-F121 HydrophobicContact CB-CB 4.48Å; F113-F121 HydrophobicContact CD1-CD2 4.37Å; F113-F121 HydrophobicContact CD2-CB 4.13Å; F113-F121 HydrophobicContact CD2-CD2 4.16Å; F113-F121 HydrophobicContact CE1-CD2 4.42Å; F113-F121 HydrophobicContact CE2-CD2 4.25Å; F113-F121 HydrophobicContact CG-CB 4.41Å; F113-F121 HydrophobicContact CG-CD2 4.23Å; F113-F121 HydrophobicContact CZ-CD2 4.37Å; V118-F121 WeakPolarHBondContact O-CB 3.03Å; V118-F121 PolarHBondContact O-N 2.81Å; D119-F121 PolarHBondContact O-N 3.12Å; F121-N123 PolarHBondContact O-N 3.33Å; F121-L124 HydrophobicContact CD2-CD1 3.45Å; F121-L124 VanDerWaalsContact CD2-CD1 3.45Å; F121-L124 HydrophobicContact CE2-CD1 3.87Å; F121-L124 HydrophobicContact CG-CD1 4.2Å; F121-L124 VanDerWaalsContact O-CB 3.23Å; F121-L124 WeakPolarHBondContact O-CB 3.25Å; F121-L124 VanDerWaalsContact O-CG 3.32Å; F121-L124 WeakPolarHBondContact O-CG 3.48Å; F121-L124 PolarHBondContact O-N 2.67Å; F121-F159 HydrophobicContact CB-CE2 4.01Å; F121-F159 HydrophobicContact CB-CZ 3.81Å; F121-F159 HydrophobicContact CD1-CD2 4.06Å; F121-F159 AromaticContact CD1-CE2 3.34Å; F121-F159 HydrophobicContact CD1-CE2 3.34Å; F121-F159 AromaticContact CD1-CZ 4Å; F121-F159 HydrophobicContact CD1-CZ 4Å; F121-F159 AromaticContact CD2-CE2 3.63Å; F121-F159 HydrophobicContact CD2-CE2 3.63Å; F121-F159 AromaticContact CD2-CZ 3.52Å; F121-F159 HydrophobicContact CD2-CZ 3.52Å; F121-F159 HydrophobicContact CE1-CD2 4.31Å; F121-F159 AromaticContact CE1-CE2 3.57Å; F121-F159 HydrophobicContact CE1-CE2 3.57Å; F121-F159 HydrophobicContact CE1-CZ 4.45Å; F121-F159 AromaticContact CE2-CE2 3.86Å; F121-F159 HydrophobicContact CE2-CE2 3.86Å; F121-F159 HydrophobicContact CE2-CZ 4.05Å; F121-F159 HydrophobicContact CG-CD2 4.36Å; F121-F159 AromaticContact CG-CE2 3.35Å; F121-F159 HydrophobicContact CG-CE2 3.35Å; F121-F159 AromaticContact CG-CZ 3.48Å; F121-F159 HydrophobicContact CG-CZ 3.48Å; F121-F159 VanDerWaalsContact CG-CZ 3.48Å; F121-F159 AromaticContact CZ-CE2 3.81Å; F121-F159 HydrophobicContact CZ-CE2 3.81Å; F121-F159 HydrophobicContact CZ-CZ 4.46Å; F121-V164 HydrophobicContact CD2-CG2 4.33Å; F121-V164 HydrophobicContact CE2-CB 4.2Å; F121-V164 HydrophobicContact CE2-CG1 4.27Å; F121-V164 HydrophobicContact CE2-CG2 3.94Å; F121-F167 HydrophobicContact CE2-CB 4.01Å; F121-F167 HydrophobicContact CE2-CD1 4.42Å; F121-F167 HydrophobicContact CE2-CG 4.24Å; F121-F167 HydrophobicContact CZ-CB 3.56Å; F121-F167 HydrophobicContact CZ-CG 4.09Å
122	N	90.9	Very high	89.3	Confident	95 Å²	95	41 Å²	41	51%	0.508	22%	0.221	S	C	.	.	H	α-helix	trans	-60	-28	178.4	-66.5	-24	0	0	0	113	V118 D119 P125	V118-N122 PolarHBondContact O-N 2.98Å; D119-N122 PolarHBondContact O-N 2.89Å; D119-N122 VanDerWaalsContact O-N 3.15Å; N122-P125 VanDerWaalsContact O-CD 3.28Å; N122-P125 WeakPolarHBondContact O-CD 3.31Å
123	N	90.2	Very high	88.8	Confident	59 Å²	59	45.9 Å²	45.9	32%	0.316	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-8.9	177.4	-66.5	-25.1	0	0	0	113.7	D16 D119 F121 P125 Q126 H127	D16-N123 PolarHBondContact OD2-ND2 3.11Å; D119-N123 WeakPolarHBondContact O-CB 3.31Å; D119-N123 PolarHBondContact O-N 3.19Å; D119-N123 PolarHBondContact O-ND2 2.8Å; F121-N123 PolarHBondContact O-N 3.33Å; N123-P125 VanDerWaalsContact C-CD 3.41Å; N123-Q126 WeakPolarHBondContact O-CB 3.32Å; N123-Q126 PolarHBondContact O-N 3.3Å; N123-Q126 VanDerWaalsContact O-N 3.1Å; N123-H127 PolarHBondContact O-CD2 3.16Å; N123-H127 PolarHBondContact O-N 2.83Å
124	L	90.3	Very high	88.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-54.6	-40.7	-179.8	-73.7	172.4	0	0	0	114.7	L111 F113 F121 Q126 H127 L128 L142 F167	L111-L124 HydrophobicContact CB-CD2 4.02Å; L111-L124 HydrophobicContact CD2-CD2 3.97Å; F113-L124 HydrophobicContact CB-CD1 4.27Å; F113-L124 HydrophobicContact CB-CD2 4.36Å; F113-L124 HydrophobicContact CB-CG 4.43Å; F113-L124 HydrophobicContact CD1-CD1 3.96Å; F113-L124 HydrophobicContact CG-CD1 4.28Å; F121-L124 HydrophobicContact CD2-CD1 3.45Å; F121-L124 VanDerWaalsContact CD2-CD1 3.45Å; F121-L124 HydrophobicContact CE2-CD1 3.87Å; F121-L124 HydrophobicContact CG-CD1 4.2Å; F121-L124 VanDerWaalsContact O-CB 3.23Å; F121-L124 WeakPolarHBondContact O-CB 3.25Å; F121-L124 VanDerWaalsContact O-CG 3.32Å; F121-L124 WeakPolarHBondContact O-CG 3.48Å; F121-L124 PolarHBondContact O-N 2.67Å; L124-Q126 PolarHBondContact O-N 3.48Å; L124-H127 PolarHBondContact O-N 3.08Å; L124-L128 WeakPolarHBondContact O-CB 3.41Å; L124-L128 PolarHBondContact O-N 3.48Å; L124-L142 HydrophobicContact CD1-CD1 3.79Å; L124-L142 HydrophobicContact CD2-CD1 4.02Å; L124-F167 HydrophobicContact CB-CE1 4.03Å; L124-F167 HydrophobicContact CB-CE2 4.11Å; L124-F167 HydrophobicContact CB-CZ 3.61Å; L124-F167 HydrophobicContact CD1-CD1 4.24Å; L124-F167 HydrophobicContact CD1-CE1 3.95Å; L124-F167 HydrophobicContact CD1-CZ 4.36Å
125	P	90	Very high	87.6	Confident	69 Å²	69	47.7 Å²	47.7	45%	0.448	26%	0.264	S	S	.	.	H	α-helix	trans	-55.7	-37.9	176.4	-22.6	29.9	0	0	0	113.2	N122 N123 L129 F167	N122-P125 VanDerWaalsContact O-CD 3.28Å; N122-P125 WeakPolarHBondContact O-CD 3.31Å; N123-P125 VanDerWaalsContact C-CD 3.41Å; P125-L129 PolarHBondContact O-N 3.15Å; P125-F167 HydrophobicContact CG-CE2 3.91Å
126	Q	86.1	Confident	86.9	Confident	113 Å²	113	55.8 Å²	55.8	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-49.9	178.1	-175.4	-175.4	-22.8	0	0	111	N123 L124 L128 L129 E130	N123-Q126 WeakPolarHBondContact O-CB 3.32Å; N123-Q126 PolarHBondContact O-N 3.3Å; N123-Q126 VanDerWaalsContact O-N 3.1Å; L124-Q126 PolarHBondContact O-N 3.48Å; Q126-L128 PolarHBondContact O-N 3.42Å; Q126-L129 PolarHBondContact O-N 3.02Å; Q126-L129 VanDerWaalsContact O-N 3.16Å; Q126-E130 PolarHBondContact NE2-OE1 3.48Å; Q126-E130 WeakPolarHBondContact O-CG 3.23Å; Q126-E130 PolarHBondContact O-N 2.98Å
127	H	86.1	Confident	86.5	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.065	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-37.2	176.5	-70	-66.5	0	0	0	112	D16 L111 N123 L124 A131	D16-H127 IonicContact OD1-CD2 3.65Å; D16-H127 IonicContact OD1-CE1 3.6Å; D16-H127 IonicContact OD1-NE2 3.62Å; D16-H127 PolarHBondContact OD1-NE2 2.89Å; L111-H127 HydrophobicContact CD2-CB 4.42Å; N123-H127 PolarHBondContact O-CD2 3.16Å; N123-H127 PolarHBondContact O-N 2.83Å; L124-H127 PolarHBondContact O-N 3.08Å; H127-A131 VanDerWaalsContact O-CB 3.26Å; H127-A131 WeakPolarHBondContact O-CB 3.29Å; H127-A131 PolarHBondContact O-N 3.05Å
128	L	88.3	Confident	86.5	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-48.1	176.7	178.3	57.1	0	0	0	111.4	L111 L124 Q126 E130 A131 I132 F140 F167 N171 F178 F179	L111-L128 HydrophobicContact CD1-CD1 4.45Å; L111-L128 HydrophobicContact CD2-CB 3.83Å; L111-L128 HydrophobicContact CD2-CD1 4.24Å; L124-L128 WeakPolarHBondContact O-CB 3.41Å; L124-L128 PolarHBondContact O-N 3.48Å; Q126-L128 PolarHBondContact O-N 3.42Å; L128-E130 PolarHBondContact O-N 3.06Å; L128-A131 PolarHBondContact O-N 3.42Å; L128-I132 HydrophobicContact CD1-CD1 3.72Å; L128-I132 HydrophobicContact CD1-CG1 4.04Å; L128-I132 HydrophobicContact CG-CD1 3.78Å; L128-I132 HydrophobicContact CG-CG1 4.49Å; L128-I132 WeakPolarHBondContact O-CB 3.28Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.45Å; L128-F140 HydrophobicContact CD1-CD1 4.14Å; L128-F140 HydrophobicContact CD1-CE1 4.36Å; L128-F167 HydrophobicContact CD2-CZ 4.19Å; L128-N171 HydrophobicContact CD2-CB 4.2Å; L128-N171 WeakPolarHBondContact CD2-OD1 3.41Å; L128-F178 HydrophobicContact CD1-CD1 4.07Å; L128-F178 HydrophobicContact CD1-CE1 3.3Å; L128-F178 HydrophobicContact CD1-CZ 3.79Å; L128-F178 HydrophobicContact CG-CE1 4.48Å; L128-F179 HydrophobicContact CD1-CZ 4.14Å; L128-F179 HydrophobicContact CD2-CE2 4.26Å; L128-F179 HydrophobicContact CD2-CZ 4.2Å
129	L	85.7	Confident	86.6	Confident	110 Å²	110	63.4 Å²	63.4	58%	0.576	32%	0.316	S	S	*	.	H	α-helix	trans	-60.4	-45.3	177.8	-179	62.1	0	0	0	111.9	P125 Q126 A131 I132 T133	P125-L129 PolarHBondContact O-N 3.15Å; Q126-L129 PolarHBondContact O-N 3.02Å; Q126-L129 VanDerWaalsContact O-N 3.16Å; L129-A131 VanDerWaalsContact C-N 3.32Å; L129-A131 PolarHBondContact O-N 2.91Å; L129-I132 PolarHBondContact O-N 3.16Å; L129-T133 HydrophobicContact CD1-CG2 4.36Å; L129-T133 VanDerWaalsContact O-CG2 3.28Å; L129-T133 WeakPolarHBondContact O-CG2 3.49Å; L129-T133 PolarHBondContact O-N 3.26Å; L129-T133 VanDerWaalsContact O-N 3.08Å; L129-T133 PolarHBondContact O-OG1 3.27Å
130	E	82.5	Confident	86.7	Confident	56 Å²	56	58.3 Å²	58.3	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-39.8	176.9	-69.1	177.2	-161.8	0	0	112.1	Q126 L128 T133 S134	Q126-E130 PolarHBondContact NE2-OE1 3.48Å; Q126-E130 WeakPolarHBondContact O-CG 3.23Å; Q126-E130 PolarHBondContact O-N 2.98Å; L128-E130 PolarHBondContact O-N 3.06Å; E130-T133 PolarHBondContact O-OG1 2.99Å; E130-S134 WeakPolarHBondContact O-CB 3.31Å; E130-S134 PolarHBondContact O-N 2.97Å; E130-S134 PolarHBondContact O-OG 3.38Å
131	A	84.4	Confident	86.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-71.1	-41.3	178.5	0	0	0	0	0	112.5	F103 V109 H127 L128 L129 S134 A135 F140	F103-A131 HydrophobicContact CD1-CB 4.17Å; F103-A131 HydrophobicContact CE1-CB 3.52Å; F103-A131 HydrophobicContact CZ-CB 3.76Å; V109-A131 HydrophobicContact CG1-CB 4.04Å; H127-A131 VanDerWaalsContact O-CB 3.26Å; H127-A131 WeakPolarHBondContact O-CB 3.29Å; H127-A131 PolarHBondContact O-N 3.05Å; L128-A131 PolarHBondContact O-N 3.42Å; L129-A131 VanDerWaalsContact C-N 3.32Å; L129-A131 PolarHBondContact O-N 2.91Å; A131-S134 PolarHBondContact O-N 3.26Å; A131-A135 WeakPolarHBondContact O-CB 3.16Å; A131-A135 PolarHBondContact O-N 3.36Å; A131-F140 HydrophobicContact CB-CE1 3.75Å
132	I	84.6	Confident	87	Confident	61 Å²	61	57.2 Å²	57.2	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-48	177.3	-73	167.1	0	0	0	110.9	L128 L129 S134 A135 E136 F140 F178	L128-I132 HydrophobicContact CD1-CD1 3.72Å; L128-I132 HydrophobicContact CD1-CG1 4.04Å; L128-I132 HydrophobicContact CG-CD1 3.78Å; L128-I132 HydrophobicContact CG-CG1 4.49Å; L128-I132 WeakPolarHBondContact O-CB 3.28Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.45Å; L129-I132 PolarHBondContact O-N 3.16Å; I132-S134 PolarHBondContact O-N 3.44Å; I132-S134 VanDerWaalsContact O-N 3.15Å; I132-A135 PolarHBondContact O-N 3.11Å; I132-E136 PolarHBondContact O-N 3.27Å; I132-F140 HydrophobicContact CG1-CE1 4.17Å; I132-F140 HydrophobicContact CG1-CE2 4.49Å; I132-F140 HydrophobicContact CG1-CZ 3.92Å; I132-F178 HydrophobicContact CD1-CE1 4.3Å; I132-F178 HydrophobicContact CD1-CE2 3.68Å; I132-F178 HydrophobicContact CD1-CZ 3.48Å; I132-F178 VanDerWaalsContact CD1-CZ 3.48Å; I132-F178 HydrophobicContact CG1-CE1 4.43Å; I132-F178 HydrophobicContact CG1-CE2 3.92Å; I132-F178 HydrophobicContact CG1-CZ 3.45Å; I132-F178 VanDerWaalsContact CG1-CZ 3.45Å
133	T	83	Confident	87.3	Confident	101 Å²	101	52.7 Å²	52.7	62%	0.62	26%	0.259	S	S	*	.	H	α-helix	trans	-62.4	-23.7	-178.5	51.7	0	0	0	0	112.9	L129 E130	L129-T133 HydrophobicContact CD1-CG2 4.36Å; L129-T133 VanDerWaalsContact O-CG2 3.28Å; L129-T133 WeakPolarHBondContact O-CG2 3.49Å; L129-T133 PolarHBondContact O-N 3.26Å; L129-T133 VanDerWaalsContact O-N 3.08Å; L129-T133 PolarHBondContact O-OG1 3.27Å; E130-T133 PolarHBondContact O-OG1 2.99Å
134	S	80.1	Confident	87.5	Confident	32 Å²	32	49.9 Å²	49.9	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-106.3	-19.6	-176	-51.8	0	0	0	0	114.2	F103 E130 A131 I132	F103-S134 CarbonylContact C-O 3.25Å; E130-S134 WeakPolarHBondContact O-CB 3.31Å; E130-S134 PolarHBondContact O-N 2.97Å; E130-S134 PolarHBondContact O-OG 3.38Å; A131-S134 PolarHBondContact O-N 3.26Å; I132-S134 PolarHBondContact O-N 3.44Å; I132-S134 VanDerWaalsContact O-N 3.15Å
135	A	83.2	Confident	87.8	Confident	6 Å²	6	50 Å²	50	5%	0.05	25%	0.245	C	C	.	.			trans	-137.3	51.9	-175.7	0	0	0	0	0	112.6	F103 V109 A131 I132 R137 A138	F103-A135 HydrophobicContact CB-CB 4.06Å; F103-A135 HydrophobicContact CD1-CB 4.15Å; V109-A135 HydrophobicContact CG2-CB 4.07Å; A131-A135 WeakPolarHBondContact O-CB 3.16Å; A131-A135 PolarHBondContact O-N 3.36Å; I132-A135 PolarHBondContact O-N 3.11Å; A135-R137 PolarHBondContact O-N 2.82Å; A135-A138 HydrophobicContact CB-CB 3.83Å; A135-A138 VanDerWaalsContact O-CB 3.24Å; A135-A138 WeakPolarHBondContact O-CB 3.28Å; A135-A138 PolarHBondContact O-N 3.28Å
136	E	77.3	Confident	88.1	Confident	172 Å²	172	48.9 Å²	48.9	80%	0.804	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-35.5	-173	-170	-171.7	175	0	0	115.3	I132	I132-E136 PolarHBondContact O-N 3.27Å
137	R	82.2	Confident	88.5	Confident	223 Å²	223	44 Å²	44	84%	0.842	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	1.6	-177.7	-56.9	-176.1	71.8	88.2	-0.4	114.1	A135	A135-R137 PolarHBondContact O-N 2.82Å
138	A	88.5	Confident	88.8	Confident	9 Å²	9	45.6 Å²	45.6	7%	0.074	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-73.6	153.9	-178.5	0	0	0	0	0	111.4	S106 N107 V109 A135 F140	S106-A138 WeakPolarHBondContact O-CB 3.26Å; N107-A138 WeakPolarHBondContact O-CA 3.23Å; V109-A138 HydrophobicContact CG2-CB 3.92Å; A135-A138 HydrophobicContact CB-CB 3.83Å; A135-A138 VanDerWaalsContact O-CB 3.24Å; A135-A138 WeakPolarHBondContact O-CB 3.28Å; A135-A138 PolarHBondContact O-N 3.28Å; A138-F140 HydrophobicContact CB-CE2 4.17Å; A138-F140 HydrophobicContact CB-CZ 4.47Å; A138-F140 VanDerWaalsContact O-CD2 3.25Å; A138-F140 WeakPolarHBondContact O-CD2 3.49Å; A138-F140 VanDerWaalsContact O-CE2 3.27Å; A138-F140 WeakPolarHBondContact O-CE2 3.44Å
139	R	91.3	Very high	89	Confident	70 Å²	70	49.6 Å²	49.6	26%	0.264	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.3	167.6	-58.4	-56.3	-174.7	154.2	-3.1	110.1	N107 G108 V109 F141 R180 L204 S207	N107-R139 PolarHBondContact O-N 2.68Å; G108-R139 CarbonylContact C-O 3.55Å; G108-R139 WeakPolarHBondContact CA-O 2.94Å; V109-R139 PolarHBondContact N-O 3.39Å; R139-F141 HydrophobicContact CB-CE2 3.94Å; R139-F141 HydrophobicContact CB-CZ 4.12Å; R139-R180 HydrophobicContact CB-CG 4.27Å; R139-L204 HydrophobicContact CB-CD2 3.89Å; R139-L204 HydrophobicContact CG-CD2 4Å; R139-S207 WeakPolarHBondContact CG-OG 3.35Å; R139-S207 PolarHBondContact NE-OG 2.79Å; R139-S207 PolarHBondContact NH2-O 2.82Å
140	F	92.6	Very high	88.9	Confident	7 Å²	7	46.3 Å²	46.3	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.3	-175.9	-69.3	-101	0	0	0	111.3	V109 L111 L128 A131 I132 A138 F178 F179 R180	V109-F140 HydrophobicContact CB-CD1 3.74Å; V109-F140 HydrophobicContact CB-CE1 3.78Å; V109-F140 HydrophobicContact CB-CG 4.44Å; V109-F140 HydrophobicContact CB-CZ 4.48Å; V109-F140 HydrophobicContact CG1-CD1 4.14Å; V109-F140 HydrophobicContact CG1-CE1 4.12Å; V109-F140 HydrophobicContact CG2-CD1 4.32Å; V109-F140 HydrophobicContact CG2-CE1 3.88Å; V109-F140 HydrophobicContact CG2-CZ 4.18Å; V109-F140 WeakPolarHBondContact O-CA 3.3Å; L111-F140 HydrophobicContact CD1-CD1 3.84Å; L128-F140 HydrophobicContact CD1-CD1 4.14Å; L128-F140 HydrophobicContact CD1-CE1 4.36Å; A131-F140 HydrophobicContact CB-CE1 3.75Å; I132-F140 HydrophobicContact CG1-CE1 4.17Å; I132-F140 HydrophobicContact CG1-CE2 4.49Å; I132-F140 HydrophobicContact CG1-CZ 3.92Å; A138-F140 HydrophobicContact CB-CE2 4.17Å; A138-F140 HydrophobicContact CB-CZ 4.47Å; A138-F140 VanDerWaalsContact O-CD2 3.25Å; A138-F140 WeakPolarHBondContact O-CD2 3.49Å; A138-F140 VanDerWaalsContact O-CE2 3.27Å; A138-F140 WeakPolarHBondContact O-CE2 3.44Å; F140-F178 HydrophobicContact CB-CD1 3.89Å; F140-F178 HydrophobicContact CB-CE1 3.31Å; F140-F178 HydrophobicContact CB-CZ 4.05Å; F140-F178 AromaticContact CD1-CE1 3.55Å; F140-F178 HydrophobicContact CD1-CE1 3.55Å; F140-F178 AromaticContact CD1-CZ 3.8Å; F140-F178 HydrophobicContact CD1-CZ 3.8Å; F140-F178 AromaticContact CD2-CE1 3.52Å; F140-F178 HydrophobicContact CD2-CE1 3.52Å; F140-F178 HydrophobicContact CD2-CE2 4.17Å; F140-F178 AromaticContact CD2-CZ 3.27Å; F140-F178 HydrophobicContact CD2-CZ 3.27Å; F140-F178 HydrophobicContact CE1-CE1 4.2Å; F140-F178 HydrophobicContact CE1-CZ 4.02Å; F140-F178 HydrophobicContact CE2-CE1 4.2Å; F140-F178 HydrophobicContact CE2-CE2 4.37Å; F140-F178 AromaticContact CE2-CZ 3.55Å; F140-F178 HydrophobicContact CE2-CZ 3.55Å; F140-F178 HydrophobicContact CG-CD1 4.19Å; F140-F178 AromaticContact CG-CE1 3.16Å; F140-F178 HydrophobicContact CG-CE1 3.16Å; F140-F178 AromaticContact CG-CZ 3.43Å; F140-F178 HydrophobicContact CG-CZ 3.43Å; F140-F178 VanDerWaalsContact CG-CZ 3.43Å; F140-F178 AromaticContact CZ-CZ 3.93Å; F140-F178 HydrophobicContact CZ-CZ 3.93Å; F140-F179 HydrophobicContact CB-CD1 4.17Å; F140-F179 HydrophobicContact CB-CE1 4.34Å; F140-R180 PolarHBondContact O-N 3.49Å
141	F	95.2	Very high	88.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.7	-180	-57	-83.8	0	0	0	108.9	L11 V109 L110 L111 R139 R180 Y183 I200 Q203 L204	L11-F141 HydrophobicContact CD1-CD2 4.31Å; V109-F141 PolarHBondContact O-N 2.77Å; L110-F141 HydrophobicContact CD1-CB 3.56Å; L111-F141 PolarHBondContact N-O 3.07Å; R139-F141 HydrophobicContact CB-CE2 3.94Å; R139-F141 HydrophobicContact CB-CZ 4.12Å; F141-R180 HydrophobicContact CD1-CB 3.96Å; F141-R180 HydrophobicContact CE1-CB 3.72Å; F141-R180 HydrophobicContact CE1-CG 4.29Å; F141-R180 HydrophobicContact CZ-CB 4.46Å; F141-Y183 HydrophobicContact CB-CD2 4.47Å; F141-Y183 HydrophobicContact CB-CE2 4.03Å; F141-Y183 AromaticContact CD1-CE2 3.73Å; F141-Y183 HydrophobicContact CD1-CE2 3.73Å; F141-Y183 HydrophobicContact CG-CE2 4.2Å; F141-I200 HydrophobicContact CD1-CG1 4.02Å; F141-I200 HydrophobicContact CD2-CG1 4.29Å; F141-I200 HydrophobicContact CD2-CG2 4.28Å; F141-I200 HydrophobicContact CE1-CG1 4.11Å; F141-I200 HydrophobicContact CE2-CG1 4.4Å; F141-I200 HydrophobicContact CE2-CG2 3.85Å; F141-I200 HydrophobicContact CG-CD1 4.37Å; F141-I200 HydrophobicContact CG-CG1 4.1Å; F141-I200 HydrophobicContact CZ-CB 4.46Å; F141-I200 HydrophobicContact CZ-CG1 4.3Å; F141-I200 HydrophobicContact CZ-CG2 4.07Å; F141-Q203 HydrophobicContact CE1-CB 4.24Å; F141-Q203 HydrophobicContact CZ-CB 4.16Å; F141-L204 HydrophobicContact CE2-CD2 4.12Å; F141-L204 HydrophobicContact CE2-CG 4.37Å; F141-L204 HydrophobicContact CZ-CD2 4.35Å; F141-L204 HydrophobicContact CZ-CG 4.44Å
142	L	95.5	Very high	88.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.7	176	-172.6	59.5	0	0	0	110	L111 F113 L124 V164 F167 C168 F179 K181 L182 Y183	L111-L142 HydrophobicContact CB-CD1 3.84Å; L111-L142 CarbonylContact O-C 3.57Å; F113-L142 HydrophobicContact CD1-CD1 3.88Å; F113-L142 HydrophobicContact CD1-CG 4.25Å; F113-L142 HydrophobicContact CE1-CD1 4.13Å; F113-L142 HydrophobicContact CE1-CD2 4.2Å; F113-L142 HydrophobicContact CE1-CG 3.98Å; L124-L142 HydrophobicContact CD1-CD1 3.79Å; L124-L142 HydrophobicContact CD2-CD1 4.02Å; L142-V164 HydrophobicContact CD2-CG1 3.88Å; L142-F167 HydrophobicContact CD2-CD1 3.91Å; L142-F167 HydrophobicContact CD2-CE1 4.22Å; L142-C168 VanDerWaalsContact CD2-SG 3.59Å; L142-F179 HydrophobicContact CB-CD1 3.82Å; L142-F179 HydrophobicContact CB-CE1 3.97Å; L142-F179 HydrophobicContact CB-CG 4.35Å; L142-F179 HydrophobicContact CD1-CE1 4.48Å; L142-K181 PolarHBondContact N-O 2.82Å; L142-K181 VanDerWaalsContact N-O 3.09Å; L142-L182 HydrophobicContact CB-CD1 4.09Å; L142-L182 HydrophobicContact CD2-CD1 3.97Å; L142-L182 HydrophobicContact CG-CD1 3.88Å; L142-L182 CarbonylContact O-C 3.39Å; L142-L182 WeakPolarHBondContact O-CA 3.5Å; L142-Y183 PolarHBondContact O-N 3.46Å
143	C	96	Very high	87.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	110.8	-178.3	-175.2	0	0	0	0	110.1	L110 L111 V112 F113 Y183 V185 M196	L110-C143 HydrophobicContact CD1-CB 3.73Å; L110-C143 HydrophobicContact CD2-CB 4.23Å; L110-C143 HydrophobicContact CG-CB 3.93Å; L111-C143 PolarHBondContact O-N 3.42Å; V112-C143 WeakPolarHBondContact CA-O 3.11Å; V112-C143 HydrophobicContact CG1-CB 4.49Å; V112-C143 HydrophobicContact CG2-CB 4.25Å; F113-C143 WeakPolarHBondContact CD1-O 3.49Å; F113-C143 PolarHBondContact N-O 3.5Å; C143-Y183 WeakPolarHBondContact CA-O 3.43Å; C143-V185 WeakPolarHBondContact SG-CG2 3.34Å; C143-M196 HydrophobicContact CB-SD 4.18Å
144	G	95.7	Very high	87.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.5	167.9	0	0	0	0	0	110.1	Y183 V185	G144-Y183 PolarHBondContact N-O 2.95Å; G144-V185 PolarHBondContact O-N 3.13Å
145	N	95.9	Very high	87	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	166.2	-179.1	-174.5	38.7	0	0	0	112.4	V19 V112 F113 A114 Y115 V185 C187	V19-N145 PolarHBondContact O-ND2 3.22Å; V112-N145 HydrophobicContact CG1-CB 4.36Å; F113-N145 PolarHBondContact O-N 3.49Å; A114-N145 WeakPolarHBondContact CA-O 3.33Å; Y115-N145 WeakPolarHBondContact CD2-O 3.33Å; Y115-N145 PolarHBondContact N-O 3.09Å; N145-V185 CarbonylContact C-O 3.59Å; N145-V185 VanDerWaalsContact CA-O 3.28Å; N145-V185 WeakPolarHBondContact CA-O 3.34Å; N145-V185 HydrophobicContact CB-CG2 4.12Å; N145-V185 PolarHBondContact OD1-O 2.92Å; N145-C187 PolarHBondContact OD1-N 3.02Å; N145-C187 PolarHBondContact OD1-SG 3.16Å
146	K	95.1	Very high	86.3	Confident	45 Å²	45	57.3 Å²	57.3	20%	0.196	30%	0.299	C	S	.	.			trans	66.7	36.3	178.6	-45.7	-174.1	-160.8	160.2	0	113.8	G18 A114 D116 D148 L149 V185	G18-K146 WeakPolarHBondContact O-CE 3.13Å; G18-K146 PolarHBondContact O-NZ 3.14Å; A114-K146 HydrophobicContact CB-CD 3.91Å; A114-K146 HydrophobicContact CB-CG 4.1Å; D116-K146 VanDerWaalsContact CG-CD 3.49Å; D116-K146 VanDerWaalsContact OD1-CD 3.26Å; D116-K146 WeakPolarHBondContact OD1-CD 3.1Å; D116-K146 WeakPolarHBondContact OD1-CE 3.49Å; D116-K146 IonicContact OD1-NZ 2.74Å; D116-K146 PolarHBondContact OD1-NZ 3.19Å; D116-K146 VanDerWaalsContact OD2-CD 3.26Å; D116-K146 WeakPolarHBondContact OD2-CD 3.47Å; D116-K146 IonicContact OD2-NZ 3.08Å; D116-K146 PolarHBondContact OD2-NZ 2.88Å; K146-D148 WeakPolarHBondContact CA-OD1 3.44Å; K146-D148 PolarHBondContact O-N 2.8Å; K146-D148 VanDerWaalsContact O-N 3.15Å; K146-L149 HydrophobicContact CB-CD1 4.27Å; K146-L149 HydrophobicContact CD-CD1 4.43Å; K146-L149 PolarHBondContact O-N 3.47Å; K146-L149 VanDerWaalsContact O-N 3.14Å; K146-V185 PolarHBondContact N-O 3.19Å
147	I	94.4	Very high	85.9	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.051	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-62.6	-18.1	176	67.1	178.9	0	0	0	113.3	Y115 L149 Y150 R184 V185 E191	Y115-I147 HydrophobicContact CD2-CG2 3.81Å; Y115-I147 HydrophobicContact CE2-CG2 3.63Å; I147-L149 PolarHBondContact O-N 3.4Å; I147-Y150 CarbonylContact O-C 3.4Å; I147-Y150 VanDerWaalsContact O-C 3.26Å; I147-Y150 PolarHBondContact O-N 3.13Å; I147-R184 HydrophobicContact CD1-CB 4.39Å; I147-R184 HydrophobicContact CG2-CB 4.03Å; I147-V185 WeakPolarHBondContact CG1-O 3.44Å; I147-V185 PolarHBondContact N-O 2.59Å; I147-E191 HydrophobicContact CD1-CG 4.18Å
148	D	93.6	Very high	85.6	Confident	48 Å²	48	44.3 Å²	44.3	26%	0.257	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-61	-22.7	174.5	57.9	-73	0	0	0	113	K146 S186 K188 T189	K146-D148 WeakPolarHBondContact CA-OD1 3.44Å; K146-D148 PolarHBondContact O-N 2.8Å; K146-D148 VanDerWaalsContact O-N 3.15Å; D148-S186 VanDerWaalsContact CG-OG 3.25Å; D148-S186 VanDerWaalsContact OD1-CB 3.31Å; D148-S186 WeakPolarHBondContact OD1-CB 3.31Å; D148-S186 PolarHBondContact OD1-OG 3.14Å; D148-K188 VanDerWaalsContact OD2-CD 3.31Å; D148-K188 WeakPolarHBondContact OD2-CD 3.46Å; D148-T189 HydrophobicContact CB-CG2 3.91Å
149	L	91.4	Very high	85.2	Confident	88 Å²	88	44.5 Å²	44.5	46%	0.461	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-85.1	-11.1	174.7	-58.2	178.5	0	0	0	112.8	D116 K146 I147	D116-L149 HydrophobicContact CB-CD1 3.83Å; K146-L149 HydrophobicContact CB-CD1 4.27Å; K146-L149 HydrophobicContact CD-CD1 4.43Å; K146-L149 PolarHBondContact O-N 3.47Å; K146-L149 VanDerWaalsContact O-N 3.14Å; I147-L149 PolarHBondContact O-N 3.4Å
150	Y	85	Confident	84.9	Confident	42 Å²	42	43 Å²	43	17%	0.165	27%	0.269	C	S	.	.			trans	-135.8	61.5	-173.6	-62.6	-79.7	0	0	0	112.1	Y115 D116 I147 N152 G153 S154 T155	Y115-Y150 HydrophobicContact CG-CD2 4.35Å; Y115-Y150 WeakPolarHBondContact O-CE2 3.41Å; Y115-Y150 PolarHBondContact O-OH 2.84Å; D116-Y150 WeakPolarHBondContact CA-OH 3.47Å; D116-Y150 HydrophobicContact CB-CE2 3.88Å; I147-Y150 CarbonylContact O-C 3.4Å; I147-Y150 VanDerWaalsContact O-C 3.26Å; I147-Y150 PolarHBondContact O-N 3.13Å; Y150-N152 PolarHBondContact O-N 2.97Å; Y150-N152 VanDerWaalsContact O-N 3.13Å; Y150-G153 PolarHBondContact O-N 3.28Å; Y150-S154 WeakPolarHBondContact CD1-O 3.47Å; Y150-T155 HydrophobicContact CD1-CG2 3.65Å; Y150-T155 VanDerWaalsContact CE1-CA 3.44Å; Y150-T155 VanDerWaalsContact CE1-CB 3.46Å; Y150-T155 HydrophobicContact CE1-CG2 3.35Å; Y150-T155 HydrophobicContact CE2-CG2 4.35Å; Y150-T155 HydrophobicContact CG-CG2 4.26Å
151	P	77.4	Confident	84.6	Confident	110 Å²	110	43.9 Å²	43.9	71%	0.714	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.6	-176.3	24.5	-34.4	0	0	0	113.1
152	N	78.2	Confident	84.2	Confident	151 Å²	151	48.2 Å²	48.2	81%	0.807	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	1.2	179.9	-60.8	-20.7	0	0	0	113.8	Y150 S154	Y150-N152 PolarHBondContact O-N 2.97Å; Y150-N152 VanDerWaalsContact O-N 3.13Å; N152-S154 VanDerWaalsContact C-N 3.28Å; N152-S154 PolarHBondContact O-N 2.78Å
153	G	71.8	Confident	83.9	Confident	9 Å²	9	50.9 Å²	50.9	9%	0.093	32%	0.315	C	S	.	.	S	Bend	trans	71.6	13.2	177.9	0	0	0	0	0	116.1	Y150 D161	Y150-G153 PolarHBondContact O-N 3.28Å; G153-D161 PolarHBondContact O-N 3.34Å
154	S	73.5	Confident	83.6	Confident	74 Å²	74	50.9 Å²	50.9	52%	0.517	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-133.1	135	175.5	-61.1	0	0	0	0	110.3	Y150 N152	Y150-S154 WeakPolarHBondContact CD1-O 3.47Å; N152-S154 VanDerWaalsContact C-N 3.28Å; N152-S154 PolarHBondContact O-N 2.78Å
155	T	72.2	Confident	83.2	Confident	12 Å²	12	57.7 Å²	57.7	7%	0.074	34%	0.341	C	S	.	.			trans	-85.6	158.3	173.7	72.2	0	0	0	0	111.5	Y115 Y150 A157 G158 F159	Y115-T155 WeakPolarHBondContact O-CG2 3.27Å; Y150-T155 HydrophobicContact CD1-CG2 3.65Å; Y150-T155 VanDerWaalsContact CE1-CA 3.44Å; Y150-T155 VanDerWaalsContact CE1-CB 3.46Å; Y150-T155 HydrophobicContact CE1-CG2 3.35Å; Y150-T155 HydrophobicContact CE2-CG2 4.35Å; Y150-T155 HydrophobicContact CG-CG2 4.26Å; T155-A157 PolarHBondContact O-N 3.1Å; T155-A157 PolarHBondContact OG1-N 2.94Å; T155-G158 PolarHBondContact O-N 3.11Å; T155-G158 VanDerWaalsContact O-N 3.11Å; T155-G158 PolarHBondContact OG1-N 3.18Å; T155-F159 WeakPolarHBondContact CB-O 3.37Å; T155-F159 HydrophobicContact CG2-CB 4.24Å; T155-F159 HydrophobicContact CG2-CD1 3.8Å; T155-F159 VanDerWaalsContact CG2-O 3.27Å; T155-F159 WeakPolarHBondContact CG2-O 3.34Å; T155-F159 PolarHBondContact N-O 2.96Å; T155-F159 WeakPolarHBondContact OG1-CB 3.31Å; T155-F159 PolarHBondContact OG1-N 3.38Å; T155-F159 VanDerWaalsContact OG1-N 3.13Å; T155-F159 PolarHBondContact OG1-O 3.12Å
156	S	68.9	Low	82.9	Confident	130 Å²	130	62 Å²	62	91%	0.909	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.8	171.5	47.8	0	0	0	0	113.1	G158	S156-G158 VanDerWaalsContact C-N 3.29Å
157	A	70.1	Confident	82.7	Confident	76 Å²	76	60.5 Å²	60.5	63%	0.628	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	5.1	177.1	0	0	0	0	0	113.5	V118 T155 F159	V118-A157 HydrophobicContact CG2-CB 4.2Å; T155-A157 PolarHBondContact O-N 3.1Å; T155-A157 PolarHBondContact OG1-N 2.94Å; A157-F159 PolarHBondContact O-N 3.14Å
158	G	74.9	Confident	82.4	Confident	47 Å²	47	60.6 Å²	60.6	49%	0.485	36%	0.356	S	S	.	.	S	Bend	trans	84.3	-18.3	179.9	0	0	0	0	0	114.7	T155 S156 N160	T155-G158 PolarHBondContact O-N 3.11Å; T155-G158 VanDerWaalsContact O-N 3.11Å; T155-G158 PolarHBondContact OG1-N 3.18Å; S156-G158 VanDerWaalsContact C-N 3.29Å; G158-N160 PolarHBondContact O-N 3.31Å; G158-N160 PolarHBondContact O-ND2 3.04Å
159	F	81.3	Confident	82.1	Confident	13 Å²	13	62.6 Å²	62.6	6%	0.057	37%	0.366	C	S	.	.			trans	-59	129.2	171.6	175	-109.9	0	0	0	110.4	F113 Y115 V118 F121 T155 A157 D163 V164	F113-F159 HydrophobicContact CD2-CE1 4.35Å; F113-F159 HydrophobicContact CD2-CZ 4.19Å; F113-F159 AromaticContact CE2-CE1 3.8Å; F113-F159 HydrophobicContact CE2-CE1 3.8Å; F113-F159 AromaticContact CE2-CZ 3.64Å; F113-F159 HydrophobicContact CE2-CZ 3.64Å; F113-F159 HydrophobicContact CZ-CZ 4.32Å; Y115-F159 HydrophobicContact CD1-CD1 4.42Å; Y115-F159 AromaticContact CD1-CE1 3.91Å; Y115-F159 HydrophobicContact CD1-CE1 3.91Å; Y115-F159 HydrophobicContact CE1-CE1 4.31Å; V118-F159 HydrophobicContact CG1-CB 4.43Å; V118-F159 HydrophobicContact CG2-CB 4.13Å; F121-F159 HydrophobicContact CB-CE2 4.01Å; F121-F159 HydrophobicContact CB-CZ 3.81Å; F121-F159 HydrophobicContact CD1-CD2 4.06Å; F121-F159 AromaticContact CD1-CE2 3.34Å; F121-F159 HydrophobicContact CD1-CE2 3.34Å; F121-F159 AromaticContact CD1-CZ 4Å; F121-F159 HydrophobicContact CD1-CZ 4Å; F121-F159 AromaticContact CD2-CE2 3.63Å; F121-F159 HydrophobicContact CD2-CE2 3.63Å; F121-F159 AromaticContact CD2-CZ 3.52Å; F121-F159 HydrophobicContact CD2-CZ 3.52Å; F121-F159 HydrophobicContact CE1-CD2 4.31Å; F121-F159 AromaticContact CE1-CE2 3.57Å; F121-F159 HydrophobicContact CE1-CE2 3.57Å; F121-F159 HydrophobicContact CE1-CZ 4.45Å; F121-F159 AromaticContact CE2-CE2 3.86Å; F121-F159 HydrophobicContact CE2-CE2 3.86Å; F121-F159 HydrophobicContact CE2-CZ 4.05Å; F121-F159 HydrophobicContact CG-CD2 4.36Å; F121-F159 AromaticContact CG-CE2 3.35Å; F121-F159 HydrophobicContact CG-CE2 3.35Å; F121-F159 AromaticContact CG-CZ 3.48Å; F121-F159 HydrophobicContact CG-CZ 3.48Å; F121-F159 VanDerWaalsContact CG-CZ 3.48Å; F121-F159 AromaticContact CZ-CE2 3.81Å; F121-F159 HydrophobicContact CZ-CE2 3.81Å; F121-F159 HydrophobicContact CZ-CZ 4.46Å; T155-F159 WeakPolarHBondContact CB-O 3.37Å; T155-F159 HydrophobicContact CG2-CB 4.24Å; T155-F159 HydrophobicContact CG2-CD1 3.8Å; T155-F159 VanDerWaalsContact CG2-O 3.27Å; T155-F159 WeakPolarHBondContact CG2-O 3.34Å; T155-F159 PolarHBondContact N-O 2.96Å; T155-F159 WeakPolarHBondContact OG1-CB 3.31Å; T155-F159 PolarHBondContact OG1-N 3.38Å; T155-F159 VanDerWaalsContact OG1-N 3.13Å; T155-F159 PolarHBondContact OG1-O 3.12Å; A157-F159 PolarHBondContact O-N 3.14Å; F159-D163 WeakPolarHBondContact CA-OD2 3.06Å; F159-D163 HydrophobicContact CD2-CB 3.89Å; F159-D163 HydrophobicContact CE2-CB 3.99Å; F159-V164 HydrophobicContact CE1-CG2 4.21Å; F159-V164 HydrophobicContact CE2-CG2 3.74Å; F159-V164 HydrophobicContact CZ-CG2 3.35Å
160	N	83.5	Confident	81.8	Confident	37 Å²	37	64.4 Å²	64.4	20%	0.198	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-148.9	175.6	-172	65.7	68.6	0	0	0	112	G158 V162 D163 V164	G158-N160 PolarHBondContact O-N 3.31Å; G158-N160 PolarHBondContact O-ND2 3.04Å; N160-V162 PolarHBondContact O-N 2.9Å; N160-V162 VanDerWaalsContact O-N 3.13Å; N160-V162 VanDerWaalsContact OD1-CA 3.31Å; N160-V162 WeakPolarHBondContact OD1-CA 3.28Å; N160-V162 WeakPolarHBondContact OD1-CB 3.45Å; N160-V162 WeakPolarHBondContact OD1-CG2 3.5Å; N160-V162 PolarHBondContact OD1-N 3.1Å; N160-D163 PolarHBondContact N-OD2 3.26Å; N160-D163 PolarHBondContact ND2-OD2 2.91Å; N160-D163 VanDerWaalsContact ND2-OD2 3.16Å; N160-D163 PolarHBondContact O-N 3.03Å; N160-D163 VanDerWaalsContact O-N 3.14Å; N160-D163 PolarHBondContact OD1-N 2.98Å; N160-V164 PolarHBondContact O-N 3.17Å
161	D	86.1	Confident	81.5	Confident	27 Å²	27	64.7 Å²	64.7	14%	0.144	38%	0.377	C	S	.	.	H	α-helix	trans	-59.2	-23.3	-179	-78.7	12.9	0	0	0	113.8	Y115 G153 R165 R184	Y115-D161 WeakPolarHBondContact CE1-OD1 3.43Å; Y115-D161 PolarHBondContact OH-OD1 3.38Å; G153-D161 PolarHBondContact O-N 3.34Å; D161-R165 VanDerWaalsContact O-CG 3.25Å; D161-R165 WeakPolarHBondContact O-CG 3.35Å; D161-R165 PolarHBondContact O-N 2.68Å; D161-R165 VanDerWaalsContact O-N 3.11Å; D161-R184 IonicContact OD1-CZ 3.7Å; D161-R184 IonicContact OD1-NE 3.99Å; D161-R184 PolarHBondContact OD1-NE 3.41Å; D161-R184 VanDerWaalsContact OD1-NE 3.11Å; D161-R184 IonicContact OD1-NH2 3.53Å; D161-R184 PolarHBondContact OD1-NH2 3.39Å; D161-R184 IonicContact OD2-CZ 3.11Å; D161-R184 VanDerWaalsContact OD2-CZ 3.24Å; D161-R184 IonicContact OD2-NE 2.68Å; D161-R184 PolarHBondContact OD2-NE 3.01Å; D161-R184 VanDerWaalsContact OD2-NE 3.1Å; D161-R184 IonicContact OD2-NH2 3.41Å; D161-R184 PolarHBondContact OD2-NH2 3.11Å
162	V	87	Confident	81.1	Confident	91 Å²	91	62.9 Å²	62.9	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-69.4	-45	176	-174.4	0	0	0	0	110.4	N160 V164 R165 Q166	N160-V162 PolarHBondContact O-N 2.9Å; N160-V162 VanDerWaalsContact O-N 3.13Å; N160-V162 VanDerWaalsContact OD1-CA 3.31Å; N160-V162 WeakPolarHBondContact OD1-CA 3.28Å; N160-V162 WeakPolarHBondContact OD1-CB 3.45Å; N160-V162 WeakPolarHBondContact OD1-CG2 3.5Å; N160-V162 PolarHBondContact OD1-N 3.1Å; V162-V164 VanDerWaalsContact C-N 3.25Å; V162-V164 PolarHBondContact O-N 3.28Å; V162-R165 PolarHBondContact O-N 3.1Å; V162-R165 VanDerWaalsContact O-N 3.16Å; V162-Q166 WeakPolarHBondContact O-CB 3.32Å; V162-Q166 PolarHBondContact O-N 3.27Å
163	D	88.9	Confident	80.3	Confident	55 Å²	55	61.9 Å²	61.9	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-60	-40.4	178.1	-53.3	-55.5	0	0	0	110.7	F159 N160 Q166 F167	F159-D163 WeakPolarHBondContact CA-OD2 3.06Å; F159-D163 HydrophobicContact CD2-CB 3.89Å; F159-D163 HydrophobicContact CE2-CB 3.99Å; N160-D163 PolarHBondContact N-OD2 3.26Å; N160-D163 PolarHBondContact ND2-OD2 2.91Å; N160-D163 VanDerWaalsContact ND2-OD2 3.16Å; N160-D163 PolarHBondContact O-N 3.03Å; N160-D163 VanDerWaalsContact O-N 3.14Å; N160-D163 PolarHBondContact OD1-N 2.98Å; D163-Q166 PolarHBondContact O-N 3.18Å; D163-F167 PolarHBondContact O-N 3.06Å
164	V	89.8	Confident	79.8	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-41.5	178	-173.7	0	0	0	0	111.8	F113 F121 L142 F159 N160 V162 F167 C168 L182	F113-V164 HydrophobicContact CE1-CG1 3.88Å; F113-V164 HydrophobicContact CE2-CG2 4.13Å; F113-V164 HydrophobicContact CZ-CB 4.39Å; F113-V164 HydrophobicContact CZ-CG1 3.71Å; F113-V164 HydrophobicContact CZ-CG2 3.65Å; F121-V164 HydrophobicContact CD2-CG2 4.33Å; F121-V164 HydrophobicContact CE2-CB 4.2Å; F121-V164 HydrophobicContact CE2-CG1 4.27Å; F121-V164 HydrophobicContact CE2-CG2 3.94Å; L142-V164 HydrophobicContact CD2-CG1 3.88Å; F159-V164 HydrophobicContact CE1-CG2 4.21Å; F159-V164 HydrophobicContact CE2-CG2 3.74Å; F159-V164 HydrophobicContact CZ-CG2 3.35Å; N160-V164 PolarHBondContact O-N 3.17Å; V162-V164 VanDerWaalsContact C-N 3.25Å; V162-V164 PolarHBondContact O-N 3.28Å; V164-F167 PolarHBondContact O-N 3.15Å; V164-C168 PolarHBondContact O-N 2.99Å; V164-L182 HydrophobicContact CB-CD2 4.3Å; V164-L182 HydrophobicContact CG1-CD1 3.57Å; V164-L182 HydrophobicContact CG1-CD2 3.58Å; V164-L182 HydrophobicContact CG1-CG 4.23Å
165	R	88.5	Confident	79.2	Confident	143 Å²	143	70.4 Å²	70.4	54%	0.54	40%	0.404	S	S	.	.	H	α-helix	trans	-67	-42.3	176.4	-72.9	171.4	-168.4	174	6.8	111.1	D161 V162 F167 C168 D169 L182	D161-R165 VanDerWaalsContact O-CG 3.25Å; D161-R165 WeakPolarHBondContact O-CG 3.35Å; D161-R165 PolarHBondContact O-N 2.68Å; D161-R165 VanDerWaalsContact O-N 3.11Å; V162-R165 PolarHBondContact O-N 3.1Å; V162-R165 VanDerWaalsContact O-N 3.16Å; R165-F167 VanDerWaalsContact C-N 3.32Å; R165-F167 PolarHBondContact O-N 3.29Å; R165-C168 WeakPolarHBondContact O-CA 3.48Å; R165-C168 WeakPolarHBondContact O-CB 3.01Å; R165-C168 PolarHBondContact O-N 3.41Å; R165-C168 VanDerWaalsContact O-N 3.09Å; R165-D169 WeakPolarHBondContact O-CB 3.36Å; R165-D169 VanDerWaalsContact O-CG 3.25Å; R165-D169 PolarHBondContact O-N 3.28Å; R165-L182 HydrophobicContact CG-CD2 4.37Å
166	Q	89.7	Confident	79	Confident	94 Å²	94	75.7 Å²	75.7	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-59.3	-43.6	176.2	-179.1	171.2	-3.4	0	0	111.4	V162 D163 C168 D169 E170	V162-Q166 WeakPolarHBondContact O-CB 3.32Å; V162-Q166 PolarHBondContact O-N 3.27Å; D163-Q166 PolarHBondContact O-N 3.18Å; Q166-C168 VanDerWaalsContact C-N 3.31Å; Q166-C168 PolarHBondContact O-N 3.37Å; Q166-D169 CarbonylContact O-C 3.59Å; Q166-D169 PolarHBondContact O-N 3.13Å; Q166-D169 VanDerWaalsContact O-N 3.08Å; Q166-E170 HydrophobicContact CG-CG 4.15Å; Q166-E170 VanDerWaalsContact CG-OE1 3.28Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.04Å; Q166-E170 PolarHBondContact NE2-OE1 3.24Å; Q166-E170 WeakPolarHBondContact O-CB 3.23Å; Q166-E170 WeakPolarHBondContact O-CG 3.39Å; Q166-E170 PolarHBondContact O-N 2.92Å
167	F	90	Very high	79.2	Confident	14 Å²	14	74.4 Å²	74.4	6%	0.061	41%	0.408	C	S	.	.	H	α-helix	trans	-60.2	-40.5	174.2	172.5	-97.1	0	0	0	112.6	F121 L124 P125 L128 L142 D163 V164 R165 D169 N171 F179	F121-F167 HydrophobicContact CE2-CB 4.01Å; F121-F167 HydrophobicContact CE2-CD1 4.42Å; F121-F167 HydrophobicContact CE2-CG 4.24Å; F121-F167 HydrophobicContact CZ-CB 3.56Å; F121-F167 HydrophobicContact CZ-CG 4.09Å; L124-F167 HydrophobicContact CB-CE1 4.03Å; L124-F167 HydrophobicContact CB-CE2 4.11Å; L124-F167 HydrophobicContact CB-CZ 3.61Å; L124-F167 HydrophobicContact CD1-CD1 4.24Å; L124-F167 HydrophobicContact CD1-CE1 3.95Å; L124-F167 HydrophobicContact CD1-CZ 4.36Å; P125-F167 HydrophobicContact CG-CE2 3.91Å; L128-F167 HydrophobicContact CD2-CZ 4.19Å; L142-F167 HydrophobicContact CD2-CD1 3.91Å; L142-F167 HydrophobicContact CD2-CE1 4.22Å; D163-F167 PolarHBondContact O-N 3.06Å; V164-F167 PolarHBondContact O-N 3.15Å; R165-F167 VanDerWaalsContact C-N 3.32Å; R165-F167 PolarHBondContact O-N 3.29Å; F167-D169 VanDerWaalsContact C-N 3.34Å; F167-N171 VanDerWaalsContact CD2-ND2 3.34Å; F167-N171 WeakPolarHBondContact CD2-ND2 3.13Å; F167-N171 WeakPolarHBondContact CE2-ND2 3.42Å; F167-N171 PolarHBondContact O-N 3.19Å; F167-N171 PolarHBondContact O-ND2 2.81Å; F167-F179 HydrophobicContact CD1-CE2 4.14Å; F167-F179 AromaticContact CE1-CE2 3.48Å; F167-F179 HydrophobicContact CE1-CE2 3.48Å; F167-F179 VanDerWaalsContact CE1-CE2 3.48Å; F167-F179 AromaticContact CE1-CZ 3.65Å; F167-F179 HydrophobicContact CE1-CZ 3.65Å; F167-F179 HydrophobicContact CZ-CE2 4.15Å; F167-F179 HydrophobicContact CZ-CZ 4.25Å
168	C	89.3	Confident	79.8	Confident	11 Å²	11	72.7 Å²	72.7	7%	0.074	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-47.6	172.4	-70.1	0	0	0	0	110.8	L142 V164 R165 Q166 N171 H172 F179	L142-C168 VanDerWaalsContact CD2-SG 3.59Å; V164-C168 PolarHBondContact O-N 2.99Å; R165-C168 WeakPolarHBondContact O-CA 3.48Å; R165-C168 WeakPolarHBondContact O-CB 3.01Å; R165-C168 PolarHBondContact O-N 3.41Å; R165-C168 VanDerWaalsContact O-N 3.09Å; Q166-C168 VanDerWaalsContact C-N 3.31Å; Q166-C168 PolarHBondContact O-N 3.37Å; C168-N171 CarbonylContact O-C 3.58Å; C168-N171 PolarHBondContact O-N 2.86Å; C168-H172 VanDerWaalsContact C-CE1 3.49Å; C168-H172 PolarHBondContact O-CE1 3.28Å; C168-H172 PolarHBondContact O-ND1 3.4Å; C168-F179 HydrophobicContact CB-CD2 4.38Å
169	D	86.8	Confident	80.4	Confident	90 Å²	90	70.6 Å²	70.6	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-35.7	-176.9	-67.9	-15.9	0	0	0	114.1	R165 Q166 F167 H172 Q177	R165-D169 WeakPolarHBondContact O-CB 3.36Å; R165-D169 VanDerWaalsContact O-CG 3.25Å; R165-D169 PolarHBondContact O-N 3.28Å; Q166-D169 CarbonylContact O-C 3.59Å; Q166-D169 PolarHBondContact O-N 3.13Å; Q166-D169 VanDerWaalsContact O-N 3.08Å; F167-D169 VanDerWaalsContact C-N 3.34Å; D169-H172 VanDerWaalsContact C-ND1 3.31Å; D169-H172 WeakPolarHBondContact CA-CE1 3.36Å; D169-H172 WeakPolarHBondContact CA-ND1 3.4Å; D169-H172 PolarHBondContact O-CE1 2.86Å; D169-H172 VanDerWaalsContact O-CG 3.22Å; D169-H172 PolarHBondContact O-ND1 3.04Å; D169-H172 IonicContact OD1-CE1 3.84Å; D169-Q177 PolarHBondContact OD1-NE2 3.31Å
170	E	85.6	Confident	80.8	Confident	126 Å²	126	74.4 Å²	74.4	59%	0.589	38%	0.378	S	S	*	.	H	α-helix	trans	-76	-34.2	178.1	-72.9	173.4	174.4	0	0	112.3	Q166 H172	Q166-E170 HydrophobicContact CG-CG 4.15Å; Q166-E170 VanDerWaalsContact CG-OE1 3.28Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.04Å; Q166-E170 PolarHBondContact NE2-OE1 3.24Å; Q166-E170 WeakPolarHBondContact O-CB 3.23Å; Q166-E170 WeakPolarHBondContact O-CG 3.39Å; Q166-E170 PolarHBondContact O-N 2.92Å; E170-H172 VanDerWaalsContact C-N 3.3Å; E170-H172 PolarHBondContact O-N 3.01Å; E170-H172 VanDerWaalsContact O-N 3.07Å
171	N	78.2	Confident	81.3	Confident	49 Å²	49	76.9 Å²	76.9	26%	0.262	39%	0.387	S	S	.	.	S	Bend	trans	-85.7	75.1	175.2	-69.1	-84.1	0	0	0	108.8	L128 F167 C168 F178 F179	L128-N171 HydrophobicContact CD2-CB 4.2Å; L128-N171 WeakPolarHBondContact CD2-OD1 3.41Å; F167-N171 VanDerWaalsContact CD2-ND2 3.34Å; F167-N171 WeakPolarHBondContact CD2-ND2 3.13Å; F167-N171 WeakPolarHBondContact CE2-ND2 3.42Å; F167-N171 PolarHBondContact O-N 3.19Å; F167-N171 PolarHBondContact O-ND2 2.81Å; C168-N171 CarbonylContact O-C 3.58Å; C168-N171 PolarHBondContact O-N 2.86Å; N171-F178 WeakPolarHBondContact O-CB 3.28Å; N171-F178 PolarHBondContact O-N 3.34Å; N171-F179 HydrophobicContact CB-CE2 4.18Å
172	H	69.5	Low	81.6	Confident	72 Å²	72	77.8 Å²	77.8	33%	0.333	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.8	176	-77.8	35	0	0	0	110.8	C168 D169 E170 Q177	C168-H172 VanDerWaalsContact C-CE1 3.49Å; C168-H172 PolarHBondContact O-CE1 3.28Å; C168-H172 PolarHBondContact O-ND1 3.4Å; D169-H172 VanDerWaalsContact C-ND1 3.31Å; D169-H172 WeakPolarHBondContact CA-CE1 3.36Å; D169-H172 WeakPolarHBondContact CA-ND1 3.4Å; D169-H172 PolarHBondContact O-CE1 2.86Å; D169-H172 VanDerWaalsContact O-CG 3.22Å; D169-H172 PolarHBondContact O-ND1 3.04Å; D169-H172 IonicContact OD1-CE1 3.84Å; E170-H172 VanDerWaalsContact C-N 3.3Å; E170-H172 PolarHBondContact O-N 3.01Å; E170-H172 VanDerWaalsContact O-N 3.07Å; H172-Q177 PolarHBondContact CE1-NE2 2.89Å; H172-Q177 WeakPolarHBondContact NE2-CA 3.27Å; H172-Q177 WeakPolarHBondContact NE2-CB 3.34Å; H172-Q177 WeakPolarHBondContact NE2-CG 3.43Å; H172-Q177 PolarHBondContact NE2-NE2 3.36Å
173	M	61.3	Low	82.1	Confident	130 Å²	130	74.1 Å²	74.1	64%	0.64	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	160.2	166.4	-65.6	-117.5	76.8	0	0	108.6	G175 E176 F178	M173-G175 PolarHBondContact O-N 3.05Å; M173-E176 PolarHBondContact N-O 2.83Å; M173-E176 VanDerWaalsContact N-O 3.09Å; M173-E176 PolarHBondContact O-N 3.25Å; M173-E176 VanDerWaalsContact O-N 3.12Å; M173-E176 VanDerWaalsContact O-O 3.1Å; M173-F178 HydrophobicContact CG-CD2 4.07Å
174	I	61.4	Low	82.4	Confident	186 Å²	186	75.5 Å²	75.5	95%	0.954	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	107.7	178.2	-60.4	173.2	0	0	0	109.3
175	G	60.5	Low	82.7	Confident	75 Å²	75	75.6 Å²	75.6	77%	0.773	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-5.6	175.1	0	0	0	0	0	117.3	M173	M173-G175 PolarHBondContact O-N 3.05Å
176	E	67.4	Low	83.1	Confident	124 Å²	124	68.8 Å²	68.8	58%	0.579	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	142.4	177.3	-71	-163.9	171.2	0	0	113.2	M173 F178	M173-E176 PolarHBondContact N-O 2.83Å; M173-E176 VanDerWaalsContact N-O 3.09Å; M173-E176 PolarHBondContact O-N 3.25Å; M173-E176 VanDerWaalsContact O-N 3.12Å; M173-E176 VanDerWaalsContact O-O 3.1Å; E176-F178 PolarHBondContact O-N 3.13Å
177	Q	73.1	Confident	83.3	Confident	103 Å²	103	64.4 Å²	64.4	48%	0.481	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	130.2	169.5	-46.1	-149.8	-66.2	0	0	109.5	D169 H172	D169-Q177 PolarHBondContact OD1-NE2 3.31Å; H172-Q177 PolarHBondContact CE1-NE2 2.89Å; H172-Q177 WeakPolarHBondContact NE2-CA 3.27Å; H172-Q177 WeakPolarHBondContact NE2-CB 3.34Å; H172-Q177 WeakPolarHBondContact NE2-CG 3.43Å; H172-Q177 PolarHBondContact NE2-NE2 3.36Å
178	F	82.7	Confident	83.5	Confident	39 Å²	39	69 Å²	69	17%	0.171	34%	0.343	C	S	.	.	S	Bend	trans	-67.2	-47.3	179.6	-176.5	-88.9	0	0	0	111.1	L128 I132 F140 N171 M173 E176	L128-F178 HydrophobicContact CD1-CD1 4.07Å; L128-F178 HydrophobicContact CD1-CE1 3.3Å; L128-F178 HydrophobicContact CD1-CZ 3.79Å; L128-F178 HydrophobicContact CG-CE1 4.48Å; I132-F178 HydrophobicContact CD1-CE1 4.3Å; I132-F178 HydrophobicContact CD1-CE2 3.68Å; I132-F178 HydrophobicContact CD1-CZ 3.48Å; I132-F178 VanDerWaalsContact CD1-CZ 3.48Å; I132-F178 HydrophobicContact CG1-CE1 4.43Å; I132-F178 HydrophobicContact CG1-CE2 3.92Å; I132-F178 HydrophobicContact CG1-CZ 3.45Å; I132-F178 VanDerWaalsContact CG1-CZ 3.45Å; F140-F178 HydrophobicContact CB-CD1 3.89Å; F140-F178 HydrophobicContact CB-CE1 3.31Å; F140-F178 HydrophobicContact CB-CZ 4.05Å; F140-F178 AromaticContact CD1-CE1 3.55Å; F140-F178 HydrophobicContact CD1-CE1 3.55Å; F140-F178 AromaticContact CD1-CZ 3.8Å; F140-F178 HydrophobicContact CD1-CZ 3.8Å; F140-F178 AromaticContact CD2-CE1 3.52Å; F140-F178 HydrophobicContact CD2-CE1 3.52Å; F140-F178 HydrophobicContact CD2-CE2 4.17Å; F140-F178 AromaticContact CD2-CZ 3.27Å; F140-F178 HydrophobicContact CD2-CZ 3.27Å; F140-F178 HydrophobicContact CE1-CE1 4.2Å; F140-F178 HydrophobicContact CE1-CZ 4.02Å; F140-F178 HydrophobicContact CE2-CE1 4.2Å; F140-F178 HydrophobicContact CE2-CE2 4.37Å; F140-F178 AromaticContact CE2-CZ 3.55Å; F140-F178 HydrophobicContact CE2-CZ 3.55Å; F140-F178 HydrophobicContact CG-CD1 4.19Å; F140-F178 AromaticContact CG-CE1 3.16Å; F140-F178 HydrophobicContact CG-CE1 3.16Å; F140-F178 AromaticContact CG-CZ 3.43Å; F140-F178 HydrophobicContact CG-CZ 3.43Å; F140-F178 VanDerWaalsContact CG-CZ 3.43Å; F140-F178 AromaticContact CZ-CZ 3.93Å; F140-F178 HydrophobicContact CZ-CZ 3.93Å; N171-F178 WeakPolarHBondContact O-CB 3.28Å; N171-F178 PolarHBondContact O-N 3.34Å; M173-F178 HydrophobicContact CG-CD2 4.07Å; E176-F178 PolarHBondContact O-N 3.13Å
179	F	88.5	Confident	83.8	Confident	3 Å²	3	72.3 Å²	72.3	1%	0.013	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.5	173.1	-70.1	-76.8	0	0	0	110	L111 L128 F140 L142 F167 C168 N171 K181	L111-F179 HydrophobicContact CB-CE1 4.43Å; L111-F179 HydrophobicContact CD1-CE1 4.04Å; L111-F179 HydrophobicContact CD2-CE1 4.36Å; L111-F179 HydrophobicContact CD2-CZ 4.18Å; L111-F179 HydrophobicContact CG-CE1 4.5Å; L128-F179 HydrophobicContact CD1-CZ 4.14Å; L128-F179 HydrophobicContact CD2-CE2 4.26Å; L128-F179 HydrophobicContact CD2-CZ 4.2Å; F140-F179 HydrophobicContact CB-CD1 4.17Å; F140-F179 HydrophobicContact CB-CE1 4.34Å; L142-F179 HydrophobicContact CB-CD1 3.82Å; L142-F179 HydrophobicContact CB-CE1 3.97Å; L142-F179 HydrophobicContact CB-CG 4.35Å; L142-F179 HydrophobicContact CD1-CE1 4.48Å; F167-F179 HydrophobicContact CD1-CE2 4.14Å; F167-F179 AromaticContact CE1-CE2 3.48Å; F167-F179 HydrophobicContact CE1-CE2 3.48Å; F167-F179 VanDerWaalsContact CE1-CE2 3.48Å; F167-F179 AromaticContact CE1-CZ 3.65Å; F167-F179 HydrophobicContact CE1-CZ 3.65Å; F167-F179 HydrophobicContact CZ-CE2 4.15Å; F167-F179 HydrophobicContact CZ-CZ 4.25Å; C168-F179 HydrophobicContact CB-CD2 4.38Å; N171-F179 HydrophobicContact CB-CE2 4.18Å; F179-K181 VanDerWaalsContact C-N 3.31Å; F179-K181 PolarHBondContact O-N 2.83Å
180	R	89.7	Confident	84.1	Confident	93 Å²	93	69 Å²	69	35%	0.351	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-33.4	177.3	-66.3	-62.8	-124	178.2	5.6	112.6	R139 F140 F141 Q203	R139-R180 HydrophobicContact CB-CG 4.27Å; F140-R180 PolarHBondContact O-N 3.49Å; F141-R180 HydrophobicContact CD1-CB 3.96Å; F141-R180 HydrophobicContact CE1-CB 3.72Å; F141-R180 HydrophobicContact CE1-CG 4.29Å; F141-R180 HydrophobicContact CZ-CB 4.46Å; R180-Q203 VanDerWaalsContact CB-OE1 3.31Å
181	K	93	Very high	84.6	Confident	90 Å²	90	68.5 Å²	68.5	39%	0.391	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	147.6	179.8	-164.7	157.5	169.1	-175.5	0	111.7	L142 F179 Y183 D199	L142-K181 PolarHBondContact N-O 2.82Å; L142-K181 VanDerWaalsContact N-O 3.09Å; F179-K181 VanDerWaalsContact C-N 3.31Å; F179-K181 PolarHBondContact O-N 2.83Å; K181-Y183 HydrophobicContact CB-CE1 4.36Å; K181-Y183 HydrophobicContact CB-CE2 4Å; K181-Y183 HydrophobicContact CD-CD1 4.43Å; K181-Y183 HydrophobicContact CD-CE1 3.64Å; K181-Y183 HydrophobicContact CG-CD1 4.38Å; K181-Y183 HydrophobicContact CG-CE1 3.93Å; K181-Y183 HydrophobicContact CG-CE2 4.36Å; K181-D199 VanDerWaalsContact CD-OD2 3.24Å; K181-D199 WeakPolarHBondContact CD-OD2 3.49Å; K181-D199 WeakPolarHBondContact CE-OD2 3.39Å; K181-D199 IonicContact NZ-OD1 3.86Å; K181-D199 IonicContact NZ-OD2 2.78Å; K181-D199 PolarHBondContact NZ-OD2 3.03Å
182	L	93.7	Very high	85.5	Confident	45 Å²	45	67.7 Å²	67.7	24%	0.236	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.5	164.7	170.8	62.4	0	0	0	109.6	F113 L142 V164 R165	F113-L182 HydrophobicContact CE1-CD1 4.49Å; L142-L182 HydrophobicContact CB-CD1 4.09Å; L142-L182 HydrophobicContact CD2-CD1 3.97Å; L142-L182 HydrophobicContact CG-CD1 3.88Å; L142-L182 CarbonylContact O-C 3.39Å; L142-L182 WeakPolarHBondContact O-CA 3.5Å; V164-L182 HydrophobicContact CB-CD2 4.3Å; V164-L182 HydrophobicContact CG1-CD1 3.57Å; V164-L182 HydrophobicContact CG1-CD2 3.58Å; V164-L182 HydrophobicContact CG1-CG 4.23Å; R165-L182 HydrophobicContact CG-CD2 4.37Å
183	Y	96.1	Very high	86.7	Confident	14 Å²	14	64.5 Å²	64.5	6%	0.055	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.4	173.6	-57.4	-78.7	0	0	0	110.9	L110 F141 L142 C143 G144 K181 M196 D199 I200 Q203	L110-Y183 HydrophobicContact CD1-CD2 4.48Å; F141-Y183 HydrophobicContact CB-CD2 4.47Å; F141-Y183 HydrophobicContact CB-CE2 4.03Å; F141-Y183 AromaticContact CD1-CE2 3.73Å; F141-Y183 HydrophobicContact CD1-CE2 3.73Å; F141-Y183 HydrophobicContact CG-CE2 4.2Å; L142-Y183 PolarHBondContact O-N 3.46Å; C143-Y183 WeakPolarHBondContact CA-O 3.43Å; G144-Y183 PolarHBondContact N-O 2.95Å; K181-Y183 HydrophobicContact CB-CE1 4.36Å; K181-Y183 HydrophobicContact CB-CE2 4Å; K181-Y183 HydrophobicContact CD-CD1 4.43Å; K181-Y183 HydrophobicContact CD-CE1 3.64Å; K181-Y183 HydrophobicContact CG-CD1 4.38Å; K181-Y183 HydrophobicContact CG-CE1 3.93Å; K181-Y183 HydrophobicContact CG-CE2 4.36Å; Y183-M196 HydrophobicContact CD1-CB 3.85Å; Y183-M196 HydrophobicContact CD1-CG 3.69Å; Y183-M196 HydrophobicContact CD2-CG 3.66Å; Y183-M196 HydrophobicContact CD2-SD 4.02Å; Y183-M196 HydrophobicContact CE1-CB 4.32Å; Y183-M196 HydrophobicContact CE1-CG 4.1Å; Y183-M196 HydrophobicContact CE2-CG 4.06Å; Y183-M196 HydrophobicContact CG-CB 4.05Å; Y183-M196 HydrophobicContact CG-CG 3.45Å; Y183-M196 VanDerWaalsContact CG-CG 3.45Å; Y183-M196 HydrophobicContact CG-SD 3.88Å; Y183-D199 HydrophobicContact CE1-CB 4.16Å; Y183-D199 WeakPolarHBondContact CE1-OD2 3.19Å; Y183-D199 PolarHBondContact OH-OD2 3.48Å; Y183-I200 HydrophobicContact CD2-CD1 4.45Å; Y183-I200 HydrophobicContact CE2-CD1 3.92Å; Y183-I200 HydrophobicContact CE2-CG1 3.69Å; Y183-Q203 PolarHBondContact OH-NE2 3Å; Y183-Q203 VanDerWaalsContact OH-NE2 3.13Å
184	R	95.1	Very high	88	Confident	85 Å²	85	61.8 Å²	61.8	32%	0.321	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.7	174.7	-68.3	-177.5	86.6	-120.6	11.4	107.3	Y115 I147 D161	Y115-R184 PolarHBondContact OH-NE 3.01Å; Y115-R184 VanDerWaalsContact OH-NE 3.14Å; I147-R184 HydrophobicContact CD1-CB 4.39Å; I147-R184 HydrophobicContact CG2-CB 4.03Å; D161-R184 IonicContact OD1-CZ 3.7Å; D161-R184 IonicContact OD1-NE 3.99Å; D161-R184 PolarHBondContact OD1-NE 3.41Å; D161-R184 VanDerWaalsContact OD1-NE 3.11Å; D161-R184 IonicContact OD1-NH2 3.53Å; D161-R184 PolarHBondContact OD1-NH2 3.39Å; D161-R184 IonicContact OD2-CZ 3.11Å; D161-R184 VanDerWaalsContact OD2-CZ 3.24Å; D161-R184 IonicContact OD2-NE 2.68Å; D161-R184 PolarHBondContact OD2-NE 3.01Å; D161-R184 VanDerWaalsContact OD2-NE 3.1Å; D161-R184 IonicContact OD2-NH2 3.41Å; D161-R184 PolarHBondContact OD2-NH2 3.11Å
185	V	96.4	Very high	89.5	Confident	1 Å²	1	56 Å²	56	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	156.8	-173.3	-54.9	0	0	0	0	112.2	L24 C143 G144 N145 K146 I147 E191 V193 M196	L24-V185 HydrophobicContact CD2-CG2 4.14Å; C143-V185 WeakPolarHBondContact SG-CG2 3.34Å; G144-V185 PolarHBondContact O-N 3.13Å; N145-V185 CarbonylContact C-O 3.59Å; N145-V185 VanDerWaalsContact CA-O 3.28Å; N145-V185 WeakPolarHBondContact CA-O 3.34Å; N145-V185 HydrophobicContact CB-CG2 4.12Å; N145-V185 PolarHBondContact OD1-O 2.92Å; K146-V185 PolarHBondContact N-O 3.19Å; I147-V185 WeakPolarHBondContact CG1-O 3.44Å; I147-V185 PolarHBondContact N-O 2.59Å; V185-E191 CarbonylContact C-O 3.26Å; V185-E191 VanDerWaalsContact CA-O 3.27Å; V185-E191 WeakPolarHBondContact CA-O 3.43Å; V185-E191 WeakPolarHBondContact CB-O 3.46Å; V185-V193 HydrophobicContact CB-CG2 4Å; V185-V193 HydrophobicContact CG2-CG2 4.49Å; V185-M196 HydrophobicContact CG1-CB 4.22Å; V185-M196 HydrophobicContact CG1-CE 4.47Å; V185-M196 HydrophobicContact CG1-SD 3.88Å
186	S	96.4	Very high	91.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.			trans	-123.4	113.7	163.2	173.2	0	0	0	0	109.1	D148 K188 T189 G190 E191	D148-S186 VanDerWaalsContact CG-OG 3.25Å; D148-S186 VanDerWaalsContact OD1-CB 3.31Å; D148-S186 WeakPolarHBondContact OD1-CB 3.31Å; D148-S186 PolarHBondContact OD1-OG 3.14Å; S186-K188 PolarHBondContact O-N 3.31Å; S186-K188 PolarHBondContact OG-N 3.22Å; S186-T189 VanDerWaalsContact CB-OG1 3.24Å; S186-T189 WeakPolarHBondContact CB-OG1 3.24Å; S186-T189 PolarHBondContact OG-N 3.3Å; S186-T189 VanDerWaalsContact OG-N 3.14Å; S186-T189 PolarHBondContact OG-OG1 3.21Å; S186-G190 CarbonylContact O-C 3.53Å; S186-G190 WeakPolarHBondContact O-CA 3.31Å; S186-G190 PolarHBondContact O-N 2.79Å; S186-E191 PolarHBondContact N-O 3.3Å; S186-E191 PolarHBondContact O-N 3.34Å
187	C	94.6	Very high	92.3	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.5	169.9	-65.7	0	0	0	0	112.5	L24 R27 F33 N145	L24-C187 WeakPolarHBondContact CD2-SG 3.49Å; L24-C187 VanDerWaalsContact CG-SG 3.52Å; R27-C187 HydrophobicContact CG-CB 4.5Å; R27-C187 PolarHBondContact NE-O 3.12Å; R27-C187 PolarHBondContact NH2-O 3.36Å; F33-C187 WeakPolarHBondContact CB-O 3.21Å; F33-C187 HydrophobicContact CD2-CB 4.11Å; F33-C187 VanDerWaalsContact CD2-O 3.25Å; F33-C187 WeakPolarHBondContact CD2-O 3.19Å; F33-C187 HydrophobicContact CE2-CB 4.23Å; N145-C187 PolarHBondContact OD1-N 3.02Å; N145-C187 PolarHBondContact OD1-SG 3.16Å
188	K	94.9	Very high	93	Very high	112 Å²	112	46.1 Å²	46.1	49%	0.487	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-53.2	-178	-173.3	-177.5	-176.8	-178.3	0	110.1	R27 F33 D148 S186	R27-K188 PolarHBondContact NH2-O 2.62Å; F33-K188 HydrophobicContact CD1-CB 4.41Å; F33-K188 HydrophobicContact CD1-CG 4.11Å; F33-K188 HydrophobicContact CE1-CB 4.2Å; F33-K188 HydrophobicContact CE1-CG 3.88Å; F33-K188 HydrophobicContact CE2-CB 4.44Å; F33-K188 HydrophobicContact CZ-CB 4.22Å; F33-K188 HydrophobicContact CZ-CG 4.34Å; D148-K188 VanDerWaalsContact OD2-CD 3.31Å; D148-K188 WeakPolarHBondContact OD2-CD 3.46Å; S186-K188 PolarHBondContact O-N 3.31Å; S186-K188 PolarHBondContact OG-N 3.22Å
189	T	94.4	Very high	93.3	Very high	80 Å²	80	45.5 Å²	45.5	49%	0.491	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-25.3	-179.8	67	0	0	0	0	112.5	D148 S186 E191	D148-T189 HydrophobicContact CB-CG2 3.91Å; S186-T189 VanDerWaalsContact CB-OG1 3.24Å; S186-T189 WeakPolarHBondContact CB-OG1 3.24Å; S186-T189 PolarHBondContact OG-N 3.3Å; S186-T189 VanDerWaalsContact OG-N 3.14Å; S186-T189 PolarHBondContact OG-OG1 3.21Å; T189-E191 VanDerWaalsContact C-N 3.35Å; T189-E191 VanDerWaalsContact OG1-CB 3.28Å; T189-E191 WeakPolarHBondContact OG1-CB 2.91Å; T189-E191 PolarHBondContact OG1-N 2.87Å
190	G	94.7	Very high	93.4	Very high	20 Å²	20	45.3 Å²	45.3	21%	0.206	25%	0.246	C	C	.	.			trans	92.3	-4.2	-171.6	0	0	0	0	0	113.2	S186 G192 V193	S186-G190 CarbonylContact O-C 3.53Å; S186-G190 WeakPolarHBondContact O-CA 3.31Å; S186-G190 PolarHBondContact O-N 2.79Å; G190-G192 PolarHBondContact O-N 2.95Å; G190-V193 PolarHBondContact O-N 3.39Å
191	E	96	Very high	93.1	Very high	116 Å²	116	40.9 Å²	40.9	54%	0.542	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	129.8	-178.6	-172.7	179.9	166.8	0	0	111.8	I147 V185 S186 T189 V193	I147-E191 HydrophobicContact CD1-CG 4.18Å; V185-E191 CarbonylContact C-O 3.26Å; V185-E191 VanDerWaalsContact CA-O 3.27Å; V185-E191 WeakPolarHBondContact CA-O 3.43Å; V185-E191 WeakPolarHBondContact CB-O 3.46Å; S186-E191 PolarHBondContact N-O 3.3Å; S186-E191 PolarHBondContact O-N 3.34Å; T189-E191 VanDerWaalsContact C-N 3.35Å; T189-E191 VanDerWaalsContact OG1-CB 3.28Å; T189-E191 WeakPolarHBondContact OG1-CB 2.91Å; T189-E191 PolarHBondContact OG1-N 2.87Å; E191-V193 PolarHBondContact O-N 3.27Å
192	G	95.6	Very high	92.7	Very high	31 Å²	31	39.9 Å²	39.9	32%	0.32	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	-16.4	176.9	0	0	0	0	0	115.9	G190 M196	G190-G192 PolarHBondContact O-N 2.95Å; G192-M196 VanDerWaalsContact O-CB 3.23Å; G192-M196 WeakPolarHBondContact O-CB 3.43Å; G192-M196 PolarHBondContact O-N 2.82Å
193	V	94.9	Very high	92.4	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-48.5	-170.9	-178.5	0	0	0	0	112.5	L24 R27 V185 G190 E191 M196 F197	L24-V193 HydrophobicContact CD2-CG1 4.14Å; L24-V193 HydrophobicContact CD2-CG2 4.29Å; R27-V193 HydrophobicContact CB-CG1 3.82Å; V185-V193 HydrophobicContact CB-CG2 4Å; V185-V193 HydrophobicContact CG2-CG2 4.49Å; G190-V193 PolarHBondContact O-N 3.39Å; E191-V193 PolarHBondContact O-N 3.27Å; V193-M196 PolarHBondContact O-N 3.02Å; V193-F197 HydrophobicContact CG1-CD2 3.83Å; V193-F197 HydrophobicContact CG1-CE2 3.68Å; V193-F197 VanDerWaalsContact O-CD2 3.31Å; V193-F197 WeakPolarHBondContact O-CD2 3.46Å; V193-F197 PolarHBondContact O-N 3.49Å; V193-F197 VanDerWaalsContact O-N 3.15Å
194	A	89.9	Confident	91.9	Very high	73 Å²	73	38.8 Å²	38.8	60%	0.603	22%	0.217	S	C	*	.	H	α-helix	trans	-63.4	-47.7	-179.8	0	0	0	0	0	111.5	M196 F197 E198	A194-M196 VanDerWaalsContact C-N 3.33Å; A194-M196 PolarHBondContact O-N 3.24Å; A194-F197 PolarHBondContact O-N 2.94Å; A194-E198 WeakPolarHBondContact O-CB 3.3Å; A194-E198 PolarHBondContact O-N 2.94Å
195	A	92.4	Very high	91	Very high	64 Å²	64	34.9 Å²	34.9	53%	0.529	20%	0.203	S	C	.	.	H	α-helix	trans	-61.5	-39.4	178.2	0	0	0	0	0	112.3	D199	A195-D199 VanDerWaalsContact O-CB 3.23Å; A195-D199 WeakPolarHBondContact O-CB 3.5Å; A195-D199 PolarHBondContact O-N 2.77Å
196	M	95.1	Very high	90.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-52.5	174.8	173.6	-177.2	78	0	0	111.4	L24 L110 C143 Y183 V185 G192 V193 A194 E198 D199 I200	L24-M196 HydrophobicContact CD2-CE 3.72Å; L110-M196 HydrophobicContact CD1-SD 4.37Å; L110-M196 HydrophobicContact CD2-CE 3.88Å; L110-M196 HydrophobicContact CD2-SD 4.18Å; C143-M196 HydrophobicContact CB-SD 4.18Å; Y183-M196 HydrophobicContact CD1-CB 3.85Å; Y183-M196 HydrophobicContact CD1-CG 3.69Å; Y183-M196 HydrophobicContact CD2-CG 3.66Å; Y183-M196 HydrophobicContact CD2-SD 4.02Å; Y183-M196 HydrophobicContact CE1-CB 4.32Å; Y183-M196 HydrophobicContact CE1-CG 4.1Å; Y183-M196 HydrophobicContact CE2-CG 4.06Å; Y183-M196 HydrophobicContact CG-CB 4.05Å; Y183-M196 HydrophobicContact CG-CG 3.45Å; Y183-M196 VanDerWaalsContact CG-CG 3.45Å; Y183-M196 HydrophobicContact CG-SD 3.88Å; V185-M196 HydrophobicContact CG1-CB 4.22Å; V185-M196 HydrophobicContact CG1-CE 4.47Å; V185-M196 HydrophobicContact CG1-SD 3.88Å; G192-M196 VanDerWaalsContact O-CB 3.23Å; G192-M196 WeakPolarHBondContact O-CB 3.43Å; G192-M196 PolarHBondContact O-N 2.82Å; V193-M196 PolarHBondContact O-N 3.02Å; A194-M196 VanDerWaalsContact C-N 3.33Å; A194-M196 PolarHBondContact O-N 3.24Å; M196-E198 PolarHBondContact O-N 3.22Å; M196-D199 PolarHBondContact O-N 3.19Å; M196-I200 HydrophobicContact CG-CD1 3.74Å; M196-I200 HydrophobicContact CG-CG1 4.43Å; M196-I200 VanDerWaalsContact O-CG1 3.31Å; M196-I200 WeakPolarHBondContact O-CG1 3.05Å; M196-I200 PolarHBondContact O-N 3.21Å; M196-I200 HydrophobicContact SD-CD1 4.45Å
197	F	91	Very high	89.2	Confident	3 Å²	3	37.8 Å²	37.8	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-67.6	-36.3	-177.1	-77.2	-61.4	0	0	0	113	L11 L24 F28 Y52 L84 L86 V193 A194 A201	L11-F197 HydrophobicContact CD2-CD1 4.38Å; L11-F197 HydrophobicContact CD2-CE1 4.06Å; L24-F197 HydrophobicContact CB-CZ 4.43Å; L24-F197 HydrophobicContact CD2-CE2 4.47Å; F28-F197 HydrophobicContact CB-CD2 4.27Å; F28-F197 HydrophobicContact CB-CE2 3.76Å; F28-F197 HydrophobicContact CB-CZ 4.01Å; F28-F197 HydrophobicContact CD2-CB 4.29Å; F28-F197 AromaticContact CD2-CD1 3.96Å; F28-F197 HydrophobicContact CD2-CD1 3.96Å; F28-F197 AromaticContact CD2-CD2 3.79Å; F28-F197 HydrophobicContact CD2-CD2 3.79Å; F28-F197 HydrophobicContact CD2-CE1 4.17Å; F28-F197 HydrophobicContact CD2-CE2 4.01Å; F28-F197 AromaticContact CD2-CG 3.76Å; F28-F197 HydrophobicContact CD2-CG 3.76Å; F28-F197 HydrophobicContact CD2-CZ 4.19Å; F28-F197 HydrophobicContact CE2-CB 4.49Å; F28-F197 HydrophobicContact CE2-CD1 4.34Å; F28-F197 HydrophobicContact CE2-CG 4.3Å; F28-F197 HydrophobicContact CG-CE2 4.32Å; F28-F197 HydrophobicContact CG-CZ 4.39Å; Y52-F197 VanDerWaalsContact OH-CB 3.29Å; Y52-F197 WeakPolarHBondContact OH-CB 3.36Å; L84-F197 HydrophobicContact CD2-CD1 3.45Å; L84-F197 VanDerWaalsContact CD2-CD1 3.45Å; L84-F197 HydrophobicContact CD2-CE1 3.68Å; L84-F197 HydrophobicContact CD2-CG 4.44Å; L86-F197 HydrophobicContact CD1-CE1 4.11Å; L86-F197 HydrophobicContact CD2-CZ 4.3Å; V193-F197 HydrophobicContact CG1-CD2 3.83Å; V193-F197 HydrophobicContact CG1-CE2 3.68Å; V193-F197 VanDerWaalsContact O-CD2 3.31Å; V193-F197 WeakPolarHBondContact O-CD2 3.46Å; V193-F197 PolarHBondContact O-N 3.49Å; V193-F197 VanDerWaalsContact O-N 3.15Å; A194-F197 PolarHBondContact O-N 2.94Å; F197-A201 WeakPolarHBondContact O-CB 3.24Å; F197-A201 PolarHBondContact O-N 3.19Å
198	E	87.2	Confident	88.1	Confident	91 Å²	91	38.7 Å²	38.7	43%	0.425	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-44.5	173.5	-170.3	-167.1	137.7	0	0	111.4	Y52 A194 M196 A201 R202	Y52-E198 HydrophobicContact CD1-CB 4.33Å; Y52-E198 HydrophobicContact CD1-CG 4.28Å; Y52-E198 HydrophobicContact CE1-CB 4.12Å; A194-E198 WeakPolarHBondContact O-CB 3.3Å; A194-E198 PolarHBondContact O-N 2.94Å; M196-E198 PolarHBondContact O-N 3.22Å; E198-A201 PolarHBondContact O-N 3.23Å; E198-R202 PolarHBondContact O-N 3.08Å; E198-R202 IonicContact OE1-CZ 3.9Å; E198-R202 IonicContact OE1-NH2 3.75Å; E198-R202 PolarHBondContact OE1-NH2 3.17Å
199	D	90.5	Very high	86.7	Confident	25 Å²	25	35.9 Å²	35.9	13%	0.134	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-42.2	178.9	-171.9	61.5	0	0	0	112.5	K181 Y183 A195 M196 A201 R202 Q203	K181-D199 VanDerWaalsContact CD-OD2 3.24Å; K181-D199 WeakPolarHBondContact CD-OD2 3.49Å; K181-D199 WeakPolarHBondContact CE-OD2 3.39Å; K181-D199 IonicContact NZ-OD1 3.86Å; K181-D199 IonicContact NZ-OD2 2.78Å; K181-D199 PolarHBondContact NZ-OD2 3.03Å; Y183-D199 HydrophobicContact CE1-CB 4.16Å; Y183-D199 WeakPolarHBondContact CE1-OD2 3.19Å; Y183-D199 PolarHBondContact OH-OD2 3.48Å; A195-D199 VanDerWaalsContact O-CB 3.23Å; A195-D199 WeakPolarHBondContact O-CB 3.5Å; A195-D199 PolarHBondContact O-N 2.77Å; M196-D199 PolarHBondContact O-N 3.19Å; D199-A201 VanDerWaalsContact C-N 3.31Å; D199-A201 PolarHBondContact O-N 2.62Å; D199-R202 WeakPolarHBondContact O-CB 3.41Å; D199-R202 PolarHBondContact O-N 2.96Å; D199-R202 IonicContact OD1-NH1 2.81Å; D199-Q203 WeakPolarHBondContact O-CB 3.23Å; D199-Q203 WeakPolarHBondContact O-CG 3.41Å; D199-Q203 PolarHBondContact O-N 2.73Å; D199-Q203 PolarHBondContact OD2-NE2 2.54Å
200	I	90.8	Very high	85.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-45.8	172.8	-70.1	169.7	0	0	0	110.1	L11 L110 F141 Y183 M196 R202 Q203 L204	L11-I200 HydrophobicContact CD1-CG2 4.03Å; L11-I200 HydrophobicContact CD2-CD1 4.3Å; L11-I200 HydrophobicContact CD2-CG2 4.11Å; L110-I200 HydrophobicContact CD1-CD1 3.86Å; L110-I200 HydrophobicContact CD2-CD1 4.4Å; F141-I200 HydrophobicContact CD1-CG1 4.02Å; F141-I200 HydrophobicContact CD2-CG1 4.29Å; F141-I200 HydrophobicContact CD2-CG2 4.28Å; F141-I200 HydrophobicContact CE1-CG1 4.11Å; F141-I200 HydrophobicContact CE2-CG1 4.4Å; F141-I200 HydrophobicContact CE2-CG2 3.85Å; F141-I200 HydrophobicContact CG-CD1 4.37Å; F141-I200 HydrophobicContact CG-CG1 4.1Å; F141-I200 HydrophobicContact CZ-CB 4.46Å; F141-I200 HydrophobicContact CZ-CG1 4.3Å; F141-I200 HydrophobicContact CZ-CG2 4.07Å; Y183-I200 HydrophobicContact CD2-CD1 4.45Å; Y183-I200 HydrophobicContact CE2-CD1 3.92Å; Y183-I200 HydrophobicContact CE2-CG1 3.69Å; M196-I200 HydrophobicContact CG-CD1 3.74Å; M196-I200 HydrophobicContact CG-CG1 4.43Å; M196-I200 VanDerWaalsContact O-CG1 3.31Å; M196-I200 WeakPolarHBondContact O-CG1 3.05Å; M196-I200 PolarHBondContact O-N 3.21Å; M196-I200 HydrophobicContact SD-CD1 4.45Å; I200-R202 VanDerWaalsContact C-N 3.34Å; I200-R202 PolarHBondContact O-N 3.07Å; I200-Q203 PolarHBondContact O-N 2.71Å; I200-L204 HydrophobicContact CG2-CD1 3.84Å; I200-L204 HydrophobicContact CG2-CG 4.18Å; I200-L204 WeakPolarHBondContact O-CB 3.26Å; I200-L204 VanDerWaalsContact O-CG 3.31Å; I200-L204 WeakPolarHBondContact O-CG 3.34Å; I200-L204 PolarHBondContact O-N 3.34Å
201	A	83.1	Confident	83.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-46	178.3	0	0	0	0	0	111.4	Y52 I54 F82 F197 E198 D199 L204 A205	Y52-A201 HydrophobicContact CD2-CB 4.2Å; Y52-A201 HydrophobicContact CG-CB 4.16Å; I54-A201 HydrophobicContact CD1-CB 4.26Å; F82-A201 HydrophobicContact CD1-CB 3.7Å; F82-A201 HydrophobicContact CD2-CB 4.1Å; F82-A201 HydrophobicContact CE1-CB 3.62Å; F82-A201 HydrophobicContact CE2-CB 4.03Å; F82-A201 HydrophobicContact CG-CB 3.96Å; F82-A201 HydrophobicContact CZ-CB 3.82Å; F197-A201 WeakPolarHBondContact O-CB 3.24Å; F197-A201 PolarHBondContact O-N 3.19Å; E198-A201 PolarHBondContact O-N 3.23Å; D199-A201 VanDerWaalsContact C-N 3.31Å; D199-A201 PolarHBondContact O-N 2.62Å; A201-L204 PolarHBondContact O-N 3.46Å; A201-A205 WeakPolarHBondContact O-CB 3.39Å; A201-A205 PolarHBondContact O-N 3.07Å
202	R	83.8	Confident	81.2	Confident	68 Å²	68	36.8 Å²	36.8	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-57.5	-50.5	175	-173.8	-174.5	-67	103.4	5.8	111.6	I54 E58 E198 D199 I200 L204 A205 I206	I54-R202 HydrophobicContact CG2-CG 4.32Å; E58-R202 IonicContact OE2-NE 3.28Å; E198-R202 PolarHBondContact O-N 3.08Å; E198-R202 IonicContact OE1-CZ 3.9Å; E198-R202 IonicContact OE1-NH2 3.75Å; E198-R202 PolarHBondContact OE1-NH2 3.17Å; D199-R202 WeakPolarHBondContact O-CB 3.41Å; D199-R202 PolarHBondContact O-N 2.96Å; D199-R202 IonicContact OD1-NH1 2.81Å; I200-R202 VanDerWaalsContact C-N 3.34Å; I200-R202 PolarHBondContact O-N 3.07Å; R202-L204 PolarHBondContact O-N 2.88Å; R202-A205 PolarHBondContact O-N 2.69Å; R202-I206 HydrophobicContact CG-CD1 4.03Å; R202-I206 WeakPolarHBondContact O-CG1 3.22Å; R202-I206 PolarHBondContact O-N 3.23Å; R202-I206 VanDerWaalsContact O-N 3.09Å
203	Q	86.9	Confident	79.2	Confident	37 Å²	37	37.2 Å²	37.2	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-38.8	-178.3	-70.8	-169.9	51.1	0	0	112.7	F141 R180 Y183 D199 I200 S207	F141-Q203 HydrophobicContact CE1-CB 4.24Å; F141-Q203 HydrophobicContact CZ-CB 4.16Å; R180-Q203 VanDerWaalsContact CB-OE1 3.31Å; Y183-Q203 PolarHBondContact OH-NE2 3Å; Y183-Q203 VanDerWaalsContact OH-NE2 3.13Å; D199-Q203 WeakPolarHBondContact O-CB 3.23Å; D199-Q203 WeakPolarHBondContact O-CG 3.41Å; D199-Q203 PolarHBondContact O-N 2.73Å; D199-Q203 PolarHBondContact OD2-NE2 2.54Å; I200-Q203 PolarHBondContact O-N 2.71Å; Q203-S207 WeakPolarHBondContact O-CB 3.36Å; Q203-S207 PolarHBondContact O-N 3.23Å; Q203-S207 PolarHBondContact O-OG 3.24Å
204	L	85.3	Confident	77	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-40.2	175.1	-70.4	-179	0	0	0	111.9	Y9 F82 N107 R139 F141 I200 A201 R202 I206 S207 C208	Y9-L204 HydrophobicContact CD1-CB 3.99Å; Y9-L204 HydrophobicContact CE1-CB 4.43Å; Y9-L204 WeakPolarHBondContact CE1-O 3.38Å; Y9-L204 HydrophobicContact CG-CB 4.35Å; F82-L204 HydrophobicContact CE2-CB 4Å; F82-L204 HydrophobicContact CE2-CD1 4.25Å; F82-L204 HydrophobicContact CZ-CD1 4.13Å; N107-L204 HydrophobicContact CB-CD2 4.35Å; N107-L204 WeakPolarHBondContact O-CD2 3.33Å; R139-L204 HydrophobicContact CB-CD2 3.89Å; R139-L204 HydrophobicContact CG-CD2 4Å; F141-L204 HydrophobicContact CE2-CD2 4.12Å; F141-L204 HydrophobicContact CE2-CG 4.37Å; F141-L204 HydrophobicContact CZ-CD2 4.35Å; F141-L204 HydrophobicContact CZ-CG 4.44Å; I200-L204 HydrophobicContact CG2-CD1 3.84Å; I200-L204 HydrophobicContact CG2-CG 4.18Å; I200-L204 WeakPolarHBondContact O-CB 3.26Å; I200-L204 VanDerWaalsContact O-CG 3.31Å; I200-L204 WeakPolarHBondContact O-CG 3.34Å; I200-L204 PolarHBondContact O-N 3.34Å; A201-L204 PolarHBondContact O-N 3.46Å; R202-L204 PolarHBondContact O-N 2.88Å; L204-I206 VanDerWaalsContact C-N 3.33Å; L204-I206 PolarHBondContact O-N 3.11Å; L204-S207 PolarHBondContact O-N 2.74Å; L204-C208 WeakPolarHBondContact O-CB 3.49Å; L204-C208 PolarHBondContact O-N 2.83Å
205	A	77.2	Confident	75.1	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-38.6	177.7	0	0	0	0	0	112.9	I54 I59 A201 R202	I54-A205 HydrophobicContact CD1-CB 3.74Å; I59-A205 HydrophobicContact CD1-CB 3.88Å; A201-A205 WeakPolarHBondContact O-CB 3.39Å; A201-A205 PolarHBondContact O-N 3.07Å; R202-A205 PolarHBondContact O-N 2.69Å
206	I	77.9	Confident	72.8	Confident	44 Å²	44	42.4 Å²	42.4	23%	0.226	23%	0.231	C	C	.	.	H	α-helix	trans	-73	-41.3	177.1	-65.8	166.1	0	0	0	111.1	I59 F62 R202 L204	I59-I206 HydrophobicContact CG1-CG1 4.24Å; F62-I206 HydrophobicContact CB-CG2 4.49Å; F62-I206 HydrophobicContact CD1-CG2 3.98Å; F62-I206 HydrophobicContact CD2-CG2 3.84Å; F62-I206 HydrophobicContact CE1-CG2 4.11Å; F62-I206 WeakPolarHBondContact CE1-O 3.44Å; F62-I206 HydrophobicContact CE2-CG2 3.97Å; F62-I206 HydrophobicContact CG-CG2 3.84Å; F62-I206 HydrophobicContact CZ-CG2 4.11Å; R202-I206 HydrophobicContact CG-CD1 4.03Å; R202-I206 WeakPolarHBondContact O-CG1 3.22Å; R202-I206 PolarHBondContact O-N 3.23Å; R202-I206 VanDerWaalsContact O-N 3.09Å; L204-I206 VanDerWaalsContact C-N 3.33Å; L204-I206 PolarHBondContact O-N 3.11Å
207	S	77.4	Confident	70.5	Confident	18 Å²	18	43.3 Å²	43.3	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-97.4	-16.7	-165.4	70.5	0	0	0	0	115.7	R139 Q203 L204	R139-S207 WeakPolarHBondContact CG-OG 3.35Å; R139-S207 PolarHBondContact NE-OG 2.79Å; R139-S207 PolarHBondContact NH2-O 2.82Å; Q203-S207 WeakPolarHBondContact O-CB 3.36Å; Q203-S207 PolarHBondContact O-N 3.23Å; Q203-S207 PolarHBondContact O-OG 3.24Å; L204-S207 PolarHBondContact O-N 2.74Å
208	C	72	Confident	68.3	Low	21 Å²	21	46.9 Å²	46.9	14%	0.142	25%	0.254	C	S	.	.	S	Bend	trans	-125	47.1	-179.4	-67.3	0	0	0	0	113.1	Y9 L204 K210	Y9-C208 HydrophobicContact CD1-CB 4.21Å; Y9-C208 HydrophobicContact CE1-CB 3.76Å; Y9-C208 VanDerWaalsContact CE1-O 3.27Å; Y9-C208 WeakPolarHBondContact CE1-O 3.26Å; Y9-C208 PolarHBondContact OH-O 2.95Å; L204-C208 WeakPolarHBondContact O-CB 3.49Å; L204-C208 PolarHBondContact O-N 2.83Å; C208-K210 PolarHBondContact O-N 3.42Å
209	P	64.5	Low	66.7	Low	53 Å²	53	44.8 Å²	44.8	34%	0.344	24%	0.243	S	C	.	.			trans	-59.2	122.1	-177.1	19.7	-28.6	0	0	0	112.1	W63	W63-P209 HydrophobicContact CH2-CB 3.84Å; W63-P209 HydrophobicContact CH2-CG 4.27Å; W63-P209 HydrophobicContact CZ2-CB 3.2Å; W63-P209 HydrophobicContact CZ2-CG 3.92Å
210	K	63.1	Low	64.2	Low	122 Å²	122	50.5 Å²	50.5	53%	0.53	27%	0.273	S	S	.	.	S	Bend	trans	-82.5	-28.9	176.6	-70.5	-173.4	172.2	-179.6	0	112.9	V8 C208	V8-K210 VanDerWaalsContact O-CE 3.32Å; V8-K210 WeakPolarHBondContact O-CE 3.31Å; V8-K210 PolarHBondContact O-NZ 3.01Å; C208-K210 PolarHBondContact O-N 3.42Å
211	S	54.9	Low	61.5	Low	39 Å²	39	57.9 Å²	57.9	27%	0.273	31%	0.307	S	S	.	.	S	Bend	trans	-161.3	150.6	175.8	30.4	0	0	0	0	109	H5	H5-S211 PolarHBondContact CE1-OG 2.99Å
212	P	52.4	Low	59.1	Low	74 Å²	74	69 Å²	69	48%	0.481	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-56.1	142.6	167.2	22.9	-29.5	0	0	0	109	W63 D214	W63-P212 HydrophobicContact CH2-CB 4.1Å; W63-P212 HydrophobicContact CZ2-CB 4.29Å; W63-P212 HydrophobicContact CZ3-CB 4.28Å; P212-D214 PolarHBondContact O-N 2.68Å; P212-D214 VanDerWaalsContact O-N 3.12Å
213	P	51.9	Low	56.8	Low	41 Å²	41	74.4 Å²	74.4	27%	0.266	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-55.3	123.2	178	20.5	-29.4	0	0	0	109.2
214	D	48.7	Very low	54.3	Low	48 Å²	48	79.1 Å²	79.1	26%	0.257	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-56.4	127.6	174.3	175.5	1.2	0	0	0	108.3	P212 D216 S217	P212-D214 PolarHBondContact O-N 2.68Å; P212-D214 VanDerWaalsContact O-N 3.12Å; D214-D216 PolarHBondContact O-N 3.38Å; D214-D216 PolarHBondContact OD1-N 3.22Å; D214-S217 WeakPolarHBondContact O-CB 3.25Å; D214-S217 PolarHBondContact O-N 3.45Å; D214-S217 PolarHBondContact O-OG 3.14Å
215	P	50.2	Low	52	Low	93 Å²	93	88.4 Å²	88.4	60%	0.604	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.8	176.6	21.6	-31.4	0	0	0	114.2	F218	P215-F218 VanDerWaalsContact C-CE2 3.49Å; P215-F218 HydrophobicContact CB-CE2 3.94Å; P215-F218 WeakPolarHBondContact O-CD2 3.44Å; P215-F218 WeakPolarHBondContact O-CE2 3.29Å
216	D	44.8	Very low	50.1	Low	109 Å²	109	93.5 Å²	93.5	58%	0.583	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4	172	-73.9	-11.1	0	0	0	113.6	R4 D214 F218	R4-D216 IonicContact NH1-OD2 3.48Å; D214-D216 PolarHBondContact O-N 3.38Å; D214-D216 PolarHBondContact OD1-N 3.22Å; D216-F218 PolarHBondContact O-N 3.15Å
217	S	46.6	Very low	48.3	Very low	21 Å²	21	100.6 Å²	100.6	15%	0.147	51%	0.514	C	S	.	.			trans	-80.6	5	179.7	68.2	0	0	0	0	114.2	D214	D214-S217 WeakPolarHBondContact O-CB 3.25Å; D214-S217 PolarHBondContact O-N 3.45Å; D214-S217 PolarHBondContact O-OG 3.14Å
218	F	45.9	Very low	46.4	Very low	78 Å²	78	110.9 Å²	110.9	34%	0.342	55%	0.55	S	S	.	*			trans	-76.1	130.2	-177.6	-58.7	-53.5	0	0	0	112.8	V76 A78 P215 D216	V76-F218 HydrophobicContact CB-CB 4.38Å; V76-F218 HydrophobicContact CG1-CB 4.25Å; A78-F218 HydrophobicContact CB-CD1 3.51Å; A78-F218 HydrophobicContact CB-CE1 3.77Å; P215-F218 VanDerWaalsContact C-CE2 3.49Å; P215-F218 HydrophobicContact CB-CE2 3.94Å; P215-F218 WeakPolarHBondContact O-CD2 3.44Å; P215-F218 WeakPolarHBondContact O-CE2 3.29Å; D216-F218 PolarHBondContact O-N 3.15Å
219	F	52.9	Low	44.6	Very low	47 Å²	47	115.7 Å²	115.7	21%	0.206	58%	0.583	C	S	.	*			trans	-93.7	123.4	176.1	-66.2	-88	0	0	0	110.2	I3 V76 V81	I3-F219 HydrophobicContact CB-CZ 4.28Å; I3-F219 HydrophobicContact CG1-CE1 4.09Å; I3-F219 HydrophobicContact CG1-CZ 3.94Å; I3-F219 HydrophobicContact CG2-CZ 4.23Å; V76-F219 WeakPolarHBondContact CG1-O 3.31Å; V81-F219 HydrophobicContact CG2-CE2 4.09Å; V81-F219 HydrophobicContact CG2-CZ 4.08Å
220	L	37.4	Very low	43.6	Very low	145 Å²	145	118.4 Å²	118.4	76%	0.759	60%	0.602	S	S	*	*			trans	-89.5	99.2	167.7	-72.3	161	0	0	0	108.6	V76 R222	V76-L220 HydrophobicContact CG1-CD2 3.86Å; V76-L220 HydrophobicContact CG1-CG 4.27Å; V76-L220 HydrophobicContact CG2-CD2 4.31Å; L220-R222 PolarHBondContact O-N 3.41Å
221	E	35.1	Very low	42.7	Very low	155 Å²	155	118.4 Å²	118.4	72%	0.724	62%	0.617	S	S	*	*			trans	-70.8	110	157.3	-98.1	-179.3	161.6	0	0	107.7	E223	E221-E223 PolarHBondContact O-N 2.9Å; E221-E223 VanDerWaalsContact O-N 3.12Å
222	R	32.1	Very low	42	Very low	234 Å²	234	121.7 Å²	121.7	88%	0.883	64%	0.64	S	S	*	*			trans	-70.1	107.2	167.2	-77.7	-176.1	178.2	177.3	-0.3	107.1	L220 T224	L220-R222 PolarHBondContact O-N 3.41Å; R222-T224 PolarHBondContact O-N 3.45Å
223	E	34.6	Very low	41.8	Very low	181 Å²	181	127.7 Å²	127.7	85%	0.846	68%	0.684	S	S	*	*			trans	-50.2	111	163.8	-77.3	-174.5	161.4	0	0	108.4	E221 K225	E221-E223 PolarHBondContact O-N 2.9Å; E221-E223 VanDerWaalsContact O-N 3.12Å; E223-K225 VanDerWaalsContact C-N 3.29Å; E223-K225 PolarHBondContact O-N 3.33Å
224	T	36.1	Very low	41.3	Very low	136 Å²	136	132.1 Å²	132.1	83%	0.834	71%	0.705	S	S	*	*			trans	-66.9	95.3	170.3	41.9	0	0	0	0	107.3	R222 S226	R222-T224 PolarHBondContact O-N 3.45Å; T224-S226 PolarHBondContact O-N 2.86Å
225	K	35.1	Very low	40.9	Very low	196 Å²	196	136.5 Å²	136.5	85%	0.852	73%	0.729	S	S	*	*			trans	-50.5	113.7	169.9	-82	-175.6	175.5	179.3	0	108.4	E223 K227	E223-K225 VanDerWaalsContact C-N 3.29Å; E223-K225 PolarHBondContact O-N 3.33Å; K225-K227 PolarHBondContact O-N 3.44Å; K225-K227 VanDerWaalsContact O-N 3.15Å
226	S	37.7	Very low	40.4	Very low	109 Å²	109	138.9 Å²	138.9	76%	0.762	74%	0.735	S	S	*	*			trans	-46.3	119	171.9	177.2	0	0	0	0	109.5	T224 R228	T224-S226 PolarHBondContact O-N 2.86Å; S226-R228 PolarHBondContact O-N 3.24Å
227	K	40.1	Very low	40.1	Very low	192 Å²	192	140.6 Å²	140.6	84%	0.835	74%	0.744	S	S	*	*			trans	-60.4	101.2	178.2	-73.1	-179.6	175.7	179.5	0	108.6	K225 C229	K225-K227 PolarHBondContact O-N 3.44Å; K225-K227 VanDerWaalsContact O-N 3.15Å; K227-C229 PolarHBondContact O-N 3.18Å; K227-C229 VanDerWaalsContact O-N 3.16Å
228	R	37.2	Very low	39.7	Very low	234 Å²	234	148.1 Å²	148.1	88%	0.883	78%	0.782	S	S	*	*			trans	-72.3	101.4	160.4	-76.3	-175.5	-176.2	179.4	1.1	107.6	S226 C230	S226-R228 PolarHBondContact O-N 3.24Å; R228-C230 PolarHBondContact O-N 3.17Å
229	C	36	Very low	39.3	Very low	123 Å²	123	152.8 Å²	152.8	83%	0.831	81%	0.811	S	S	*	*			trans	-61.5	110.2	167.9	-66	0	0	0	0	108.8	K227 S231	K227-C229 PolarHBondContact O-N 3.18Å; K227-C229 VanDerWaalsContact O-N 3.16Å; C229-S231 PolarHBondContact O-N 3.45Å
230	C	42.2	Very low	38.3	Very low	109 Å²	109	160.4 Å²	160.4	74%	0.736	85%	0.854	S	S	*	*			trans	-84.5	105.9	165.6	-63.8	0	0	0	0	107.3	R228 S232	R228-C230 PolarHBondContact O-N 3.17Å; C230-S232 PolarHBondContact O-N 3.2Å; C230-S232 PolarHBondContact O-OG 3.1Å
231	S	45.5	Very low	38.4	Very low	123 Å²	123	161.5 Å²	161.5	86%	0.86	86%	0.862	S	S	*	*			trans	-63	115.1	168.5	46.7	0	0	0	0	108.8	C229	C229-S231 PolarHBondContact O-N 3.45Å
232	S	39.2	Very low	38.6	Very low	107 Å²	107	162.1 Å²	162.1	75%	0.748	87%	0.873	S	S	*	*			trans	-112.8	107	173.6	-45.2	0	0	0	0	107	C230	C230-S232 PolarHBondContact O-N 3.2Å; C230-S232 PolarHBondContact O-OG 3.1Å
233	S	47.8	Very low	39.2	Very low	201 Å²	201	155.5 Å²	155.5	100%	1.406	87%	0.872	S	S	*	*			trans	-175.7	0	151.6	-72.5	0	0	0	0	108.3

Retrieved 233 of 233 residues in 111 ms (Link to these results)

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