A0A077ZH78_TRITR Loading...

Protein lethal(2) giant larvae

AlphaFold DB , UniProt , Accession A0A077ZH78, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 687 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	90.4	Very high	89.8	Confident	132 Å²	132	83.9 Å²	83.9	65%	0.65	49%	0.492	S	S	*	.				0	139.4	0	-166.5	-173.2	-63.7	0	0	107.8	F3 Q21	M1-F3 HydrophobicContact CG-CD1 4.15Å; M1-F3 HydrophobicContact SD-CD1 3.98Å; M1-F3 HydrophobicContact SD-CE1 3.97Å; M1-Q21 HydrophobicContact CB-CB 4.41Å; M1-Q21 PolarHBondContact N-O 3.15Å; M1-Q21 PolarHBondContact O-N 3.4Å
2	F	93.5	Very high	89.9	Confident	43 Å²	43	81.3 Å²	81.3	19%	0.189	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.5	180	-59.8	-100.8	0	0	0	107.6	S19 V20 L22 F38 I40 P52 L68	F2-S19 WeakPolarHBondContact CA-O 3.43Å; F2-V20 HydrophobicContact CD1-CB 4.35Å; F2-V20 HydrophobicContact CD1-CG1 3.94Å; F2-V20 HydrophobicContact CD1-CG2 3.75Å; F2-V20 HydrophobicContact CE1-CB 4.45Å; F2-V20 HydrophobicContact CE1-CG1 3.6Å; F2-V20 HydrophobicContact CE1-CG2 4.05Å; F2-V20 HydrophobicContact CZ-CG1 4.23Å; F2-L22 HydrophobicContact CE2-CD2 3.95Å; F2-L22 HydrophobicContact CZ-CD1 4.21Å; F2-L22 HydrophobicContact CZ-CD2 3.93Å; F2-L22 HydrophobicContact CZ-CG 4.39Å; F2-F38 HydrophobicContact CB-CE2 3.91Å; F2-F38 HydrophobicContact CB-CZ 4.4Å; F2-I40 HydrophobicContact CB-CD1 4.03Å; F2-I40 HydrophobicContact CD1-CD1 3.99Å; F2-I40 HydrophobicContact CD1-CG1 4.24Å; F2-I40 HydrophobicContact CD2-CD1 3.41Å; F2-I40 VanDerWaalsContact CD2-CD1 3.41Å; F2-I40 HydrophobicContact CD2-CG1 4.41Å; F2-I40 HydrophobicContact CE1-CD1 4.31Å; F2-I40 HydrophobicContact CE1-CG1 4.34Å; F2-I40 HydrophobicContact CE2-CD1 3.78Å; F2-I40 HydrophobicContact CG-CD1 3.55Å; F2-I40 HydrophobicContact CG-CG1 4.3Å; F2-I40 HydrophobicContact CZ-CD1 4.22Å; F2-I40 HydrophobicContact CZ-CG1 4.48Å; F2-I40 HydrophobicContact CZ-CG2 4.38Å; F2-P52 HydrophobicContact CE2-CB 4.22Å; F2-P52 HydrophobicContact CE2-CG 4.27Å; F2-P52 HydrophobicContact CZ-CB 3.83Å; F2-P52 HydrophobicContact CZ-CG 3.98Å; F2-L68 HydrophobicContact CE1-CD1 3.82Å; F2-L68 HydrophobicContact CZ-CD1 3.85Å
3	F	91.6	Very high	89.7	Confident	76 Å²	76	82 Å²	82	33%	0.333	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	145.3	175.5	58.5	-89.4	0	0	0	112.3	M1 S19	M1-F3 HydrophobicContact CG-CD1 4.15Å; M1-F3 HydrophobicContact SD-CD1 3.98Å; M1-F3 HydrophobicContact SD-CE1 3.97Å; F3-S19 WeakPolarHBondContact CE2-OG 3.37Å; F3-S19 PolarHBondContact N-O 2.91Å; F3-S19 PolarHBondContact O-N 2.93Å
4	I	90.3	Very high	89.7	Confident	86 Å²	86	84.4 Å²	84.4	44%	0.441	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140	170.6	-70.8	167.3	0	0	0	109.5	G6 V17 I18 V35 F38	I4-G6 PolarHBondContact O-N 2.98Å; I4-V17 WeakPolarHBondContact CA-O 3.32Å; I4-I18 HydrophobicContact CG1-CG1 3.87Å; I4-V35 HydrophobicContact CD1-CG1 3.86Å; I4-V35 HydrophobicContact CG1-CG1 4.25Å; I4-F38 HydrophobicContact CD1-CD1 3.68Å; I4-F38 HydrophobicContact CD1-CE1 3.87Å; I4-F38 HydrophobicContact CG1-CD1 3.99Å; I4-F38 HydrophobicContact CG1-CE1 3.97Å
5	G	85.8	Confident	89.8	Confident	20 Å²	20	85.5 Å²	85.5	21%	0.206	48%	0.484	C	S	.	.			trans	68.9	-127.6	172.2	0	0	0	0	0	113.6	M7 V17	G5-M7 VanDerWaalsContact O-CE 3.32Å; G5-M7 WeakPolarHBondContact O-CE 3.46Å; G5-M7 PolarHBondContact O-N 2.99Å; G5-V17 PolarHBondContact N-O 2.84Å
6	G	87.6	Confident	90.1	Very high	72 Å²	72	83.3 Å²	83.3	74%	0.742	47%	0.47	S	S	*	.			trans	74.4	7.4	-170.3	0	0	0	0	0	114.5	I4	I4-G6 PolarHBondContact O-N 2.98Å
7	M	90	Very high	90.5	Very high	36 Å²	36	78.5 Å²	78.5	18%	0.177	44%	0.443	C	S	.	.			trans	-75.2	148.5	-170	-70	-60.2	106.4	0	0	114.5	G5 R9 Y12 V17 V28 P192 F194	G5-M7 VanDerWaalsContact O-CE 3.32Å; G5-M7 WeakPolarHBondContact O-CE 3.46Å; G5-M7 PolarHBondContact O-N 2.99Å; M7-R9 PolarHBondContact O-N 3.45Å; M7-Y12 WeakPolarHBondContact CB-O 3.32Å; M7-V17 HydrophobicContact CE-CG2 4Å; M7-V17 HydrophobicContact CG-CG1 4.48Å; M7-V17 HydrophobicContact CG-CG2 3.48Å; M7-V17 VanDerWaalsContact CG-CG2 3.48Å; M7-V17 HydrophobicContact SD-CG2 4.06Å; M7-V28 HydrophobicContact CE-CG1 3.84Å; M7-V28 HydrophobicContact CE-CG2 4.25Å; M7-V28 HydrophobicContact SD-CG1 4.13Å; M7-P192 HydrophobicContact SD-CG 4.26Å; M7-F194 HydrophobicContact SD-CE1 3.85Å; M7-F194 HydrophobicContact SD-CZ 3.89Å
8	P	89.4	Confident	90.8	Very high	67 Å²	67	74.2 Å²	74.2	44%	0.435	42%	0.419	S	S	.	.			trans	-58.5	104.2	172.1	-24.1	33	0	0	0	112.8	A10 A11 Y12	P8-A10 PolarHBondContact O-N 3.03Å; P8-A11 PolarHBondContact O-N 2.99Å; P8-Y12 HydrophobicContact CB-CD2 4.08Å; P8-Y12 HydrophobicContact CG-CD2 4.08Å; P8-Y12 HydrophobicContact CG-CE2 4.4Å; P8-Y12 PolarHBondContact O-N 3Å
9	R	89.2	Confident	91	Very high	220 Å²	220	70.3 Å²	70.3	83%	0.83	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.5	-173.6	-162.8	-179.6	-172	180	6.5	115.6	M7	M7-R9 PolarHBondContact O-N 3.45Å
10	A	90.7	Very high	91.2	Very high	108 Å²	108	66.9 Å²	66.9	89%	0.893	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.2	178.5	0	0	0	0	0	114.1	P8	P8-A10 PolarHBondContact O-N 3.03Å
11	A	89.3	Confident	91.3	Very high	63 Å²	63	67.3 Å²	67.3	52%	0.521	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-23.6	-172.2	0	0	0	0	0	114.5	P8	P8-A11 PolarHBondContact O-N 2.99Å
12	Y	90.6	Very high	91.3	Very high	52 Å²	52	63.2 Å²	63.2	20%	0.204	36%	0.357	C	S	.	.			trans	-142.1	38.6	-171.3	-48.1	-79.7	0	0	0	112.1	M7 P8 D14 R15 F194	M7-Y12 WeakPolarHBondContact CB-O 3.32Å; P8-Y12 HydrophobicContact CB-CD2 4.08Å; P8-Y12 HydrophobicContact CG-CD2 4.08Å; P8-Y12 HydrophobicContact CG-CE2 4.4Å; P8-Y12 PolarHBondContact O-N 3Å; Y12-D14 PolarHBondContact O-N 3.17Å; Y12-R15 HydrophobicContact CD1-CG 4.32Å; Y12-F194 AromaticContact CD1-CE2 3.73Å; Y12-F194 HydrophobicContact CD1-CE2 3.73Å; Y12-F194 AromaticContact CD1-CZ 3.56Å; Y12-F194 HydrophobicContact CD1-CZ 3.56Å; Y12-F194 HydrophobicContact CD2-CZ 4.36Å; Y12-F194 HydrophobicContact CE1-CD2 4.46Å; Y12-F194 AromaticContact CE1-CE2 3.4Å; Y12-F194 HydrophobicContact CE1-CE2 3.4Å; Y12-F194 VanDerWaalsContact CE1-CE2 3.4Å; Y12-F194 AromaticContact CE1-CZ 3.76Å; Y12-F194 HydrophobicContact CE1-CZ 3.76Å; Y12-F194 HydrophobicContact CE2-CE2 4.41Å; Y12-F194 HydrophobicContact CG-CE2 4.36Å; Y12-F194 AromaticContact CG-CZ 3.88Å; Y12-F194 HydrophobicContact CG-CZ 3.88Å; Y12-F194 AromaticContact CZ-CE2 3.78Å
13	S	87.9	Confident	91.2	Very high	91 Å²	91	64.7 Å²	64.7	64%	0.636	38%	0.384	S	S	*	.	S	Bend	trans	-78	-8.6	-179.1	55.3	0	0	0	0	114.7
14	D	90.2	Very high	91.1	Very high	115 Å²	115	70.5 Å²	70.5	62%	0.615	41%	0.412	S	S	*	.	S	Bend	trans	-107.1	-15.5	-174.9	57.4	-34.8	0	0	0	113	Y12	Y12-D14 PolarHBondContact O-N 3.17Å
15	R	91.4	Very high	91.2	Very high	102 Å²	102	69.5 Å²	69.5	39%	0.385	41%	0.405	S	S	.	.			trans	-74.3	127	177.6	-64	-68.2	-173	124.3	11.5	111.2	Y12 V17 D30	Y12-R15 HydrophobicContact CD1-CG 4.32Å; R15-V17 HydrophobicContact CB-CG1 3.77Å; R15-D30 WeakPolarHBondContact CD-OD1 3.4Å; R15-D30 WeakPolarHBondContact CD-OD2 3.13Å; R15-D30 IonicContact CZ-OD2 3.85Å; R15-D30 IonicContact NE-OD2 4Å; R15-D30 IonicContact NH1-OD2 2.74Å; R15-D30 PolarHBondContact NH1-OD2 2.89Å
16	N	94.5	Very high	91.5	Very high	49 Å²	49	71.3 Å²	71.3	26%	0.262	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106	175.2	-52.4	-73.5	0	0	0	108.1	F31 S33 V35	N16-F31 HydrophobicContact CB-CB 4.32Å; N16-F31 WeakPolarHBondContact CB-O 3.49Å; N16-F31 PolarHBondContact ND2-O 2.87Å; N16-F31 WeakPolarHBondContact O-CD2 3.36Å; N16-F31 PolarHBondContact O-N 3.41Å; N16-S33 WeakPolarHBondContact CB-O 3.34Å; N16-S33 PolarHBondContact ND2-O 3.48Å; N16-V35 HydrophobicContact CB-CG2 4.37Å
17	V	95.5	Very high	91.8	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.2	-168.2	-53.3	0	0	0	0	115.8	I4 G5 M7 R15 V28 F29 D30 F194	I4-V17 WeakPolarHBondContact CA-O 3.32Å; G5-V17 PolarHBondContact N-O 2.84Å; M7-V17 HydrophobicContact CE-CG2 4Å; M7-V17 HydrophobicContact CG-CG1 4.48Å; M7-V17 HydrophobicContact CG-CG2 3.48Å; M7-V17 VanDerWaalsContact CG-CG2 3.48Å; M7-V17 HydrophobicContact SD-CG2 4.06Å; R15-V17 HydrophobicContact CB-CG1 3.77Å; V17-V28 HydrophobicContact CB-CG1 3.72Å; V17-V28 HydrophobicContact CG1-CG1 3.89Å; V17-V28 HydrophobicContact CG2-CG1 4.05Å; V17-F29 CarbonylContact C-O 3.59Å; V17-F29 WeakPolarHBondContact CA-O 3.3Å; V17-F29 WeakPolarHBondContact CB-O 3.4Å; V17-D30 HydrophobicContact CG1-CB 4.18Å; V17-D30 WeakPolarHBondContact CG1-OD1 3.39Å; V17-F194 HydrophobicContact CG1-CE1 4.2Å
18	I	96.2	Very high	92	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.2	161.6	-66	168.5	0	0	0	108.6	I4 V20 F29 F31 V35 F38 L55 V57	I4-I18 HydrophobicContact CG1-CG1 3.87Å; I18-V20 HydrophobicContact CG2-CG2 4.02Å; I18-F29 PolarHBondContact N-O 2.97Å; I18-F29 PolarHBondContact O-N 2.83Å; I18-F31 HydrophobicContact CB-CE2 4.26Å; I18-F31 HydrophobicContact CD1-CE2 4.21Å; I18-F31 HydrophobicContact CG1-CE2 4.25Å; I18-V35 HydrophobicContact CD1-CG1 4.05Å; I18-V35 HydrophobicContact CG1-CG1 4.36Å; I18-F38 HydrophobicContact CD1-CB 3.73Å; I18-F38 HydrophobicContact CD1-CD1 4.47Å; I18-F38 HydrophobicContact CD1-CG 4.03Å; I18-L55 HydrophobicContact CG2-CD2 4.08Å; I18-V57 HydrophobicContact CD1-CB 4.2Å; I18-V57 HydrophobicContact CD1-CG1 3.57Å; I18-V57 HydrophobicContact CD1-CG2 3.55Å
19	S	94.8	Very high	92.2	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.007	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.1	171.7	-62.2	0	0	0	0	110.1	F2 F3	F2-S19 WeakPolarHBondContact CA-O 3.43Å; F3-S19 WeakPolarHBondContact CE2-OG 3.37Å; F3-S19 PolarHBondContact N-O 2.91Å; F3-S19 PolarHBondContact O-N 2.93Å
20	V	95	Very high	92.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130	176.9	-178.1	0	0	0	0	109.3	F2 I18 L22 Q26 V27 F29 L55 W73	F2-V20 HydrophobicContact CD1-CB 4.35Å; F2-V20 HydrophobicContact CD1-CG1 3.94Å; F2-V20 HydrophobicContact CD1-CG2 3.75Å; F2-V20 HydrophobicContact CE1-CB 4.45Å; F2-V20 HydrophobicContact CE1-CG1 3.6Å; F2-V20 HydrophobicContact CE1-CG2 4.05Å; F2-V20 HydrophobicContact CZ-CG1 4.23Å; I18-V20 HydrophobicContact CG2-CG2 4.02Å; V20-L22 HydrophobicContact CG1-CD1 4.26Å; V20-L22 HydrophobicContact CG1-CG 4.13Å; V20-Q26 CarbonylContact O-C 3.55Å; V20-Q26 VanDerWaalsContact O-CA 3.3Å; V20-Q26 WeakPolarHBondContact O-CA 3.43Å; V20-V27 PolarHBondContact N-O 3.41Å; V20-V27 PolarHBondContact O-N 2.91Å; V20-F29 HydrophobicContact CB-CD2 4.42Å; V20-F29 HydrophobicContact CB-CE2 4.1Å; V20-F29 HydrophobicContact CG2-CD2 3.74Å; V20-F29 HydrophobicContact CG2-CE2 3.71Å; V20-L55 HydrophobicContact CG2-CD2 3.74Å; V20-W73 HydrophobicContact CB-CZ3 4.01Å; V20-W73 HydrophobicContact CG1-CE3 4.39Å; V20-W73 HydrophobicContact CG1-CH2 3.87Å; V20-W73 HydrophobicContact CG1-CZ3 3.72Å
21	Q	93.3	Very high	92.6	Very high	76 Å²	76	48.7 Å²	48.7	36%	0.355	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	118.6	173.3	-173.3	-174.5	15.9	0	0	109.8	M1 K25 Q26	M1-Q21 HydrophobicContact CB-CB 4.41Å; M1-Q21 PolarHBondContact N-O 3.15Å; M1-Q21 PolarHBondContact O-N 3.4Å; Q21-K25 CarbonylContact C-O 3.54Å; Q21-K25 WeakPolarHBondContact CA-O 3.48Å; Q21-Q26 HydrophobicContact CG-CB 4.36Å
22	L	91.7	Very high	92.7	Very high	47 Å²	47	47.3 Å²	47.3	25%	0.246	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	118.3	177.8	-61.5	173.4	0	0	0	108.7	F2 V20 E24 K25 P52 L68 W73	F2-L22 HydrophobicContact CE2-CD2 3.95Å; F2-L22 HydrophobicContact CZ-CD1 4.21Å; F2-L22 HydrophobicContact CZ-CD2 3.93Å; F2-L22 HydrophobicContact CZ-CG 4.39Å; V20-L22 HydrophobicContact CG1-CD1 4.26Å; V20-L22 HydrophobicContact CG1-CG 4.13Å; L22-E24 PolarHBondContact O-N 3.45Å; L22-K25 PolarHBondContact N-O 3.33Å; L22-K25 PolarHBondContact O-N 2.98Å; L22-K25 VanDerWaalsContact O-N 3.15Å; L22-P52 HydrophobicContact CD1-CG 3.92Å; L22-P52 HydrophobicContact CD2-CG 3.8Å; L22-L68 HydrophobicContact CD1-CB 4.49Å; L22-L68 HydrophobicContact CD1-CD1 4.45Å; L22-L68 HydrophobicContact CD1-CD2 4.41Å; L22-W73 HydrophobicContact CB-CH2 4.13Å; L22-W73 HydrophobicContact CB-CZ2 3.86Å; L22-W73 HydrophobicContact CD1-CH2 4.31Å; L22-W73 HydrophobicContact CD1-CZ2 3.77Å; L22-W73 HydrophobicContact CG-CH2 4.27Å; L22-W73 HydrophobicContact CG-CZ2 4.1Å
23	G	89.4	Confident	92.8	Very high	73 Å²	73	45.3 Å²	45.3	75%	0.753	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-127.6	-166	0	0	0	0	0	110.7
24	E	90.5	Very high	93.1	Very high	199 Å²	199	46.4 Å²	46.4	93%	0.93	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.9	177.4	-59.4	-176.4	159.6	0	0	113.1	L22	L22-E24 PolarHBondContact O-N 3.45Å
25	K	91.7	Very high	93.3	Very high	64 Å²	64	41.6 Å²	41.6	28%	0.278	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.1	-178.2	-174.1	176.8	172.1	-169.2	0	110.7	Q21 L22 D71 D72 W73	Q21-K25 CarbonylContact C-O 3.54Å; Q21-K25 WeakPolarHBondContact CA-O 3.48Å; L22-K25 PolarHBondContact N-O 3.33Å; L22-K25 PolarHBondContact O-N 2.98Å; L22-K25 VanDerWaalsContact O-N 3.15Å; K25-D71 PolarHBondContact NZ-O 2.84Å; K25-D72 PolarHBondContact NZ-O 2.7Å; K25-W73 HydrophobicContact CB-CH2 3.98Å; K25-W73 HydrophobicContact CB-CZ2 4.13Å; K25-W73 HydrophobicContact CD-CD2 4.06Å; K25-W73 HydrophobicContact CD-CE3 4.22Å; K25-W73 HydrophobicContact CD-CH2 3.79Å; K25-W73 HydrophobicContact CD-CZ2 3.59Å; K25-W73 HydrophobicContact CD-CZ3 4.11Å; K25-W73 HydrophobicContact CG-CH2 3.65Å; K25-W73 HydrophobicContact CG-CZ2 3.93Å; K25-W73 HydrophobicContact CG-CZ3 4.03Å
26	Q	92.6	Very high	93.5	Very high	59 Å²	59	41.4 Å²	41.4	28%	0.276	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.4	171.9	-178.1	179.5	-27.2	0	0	110.1	V20 Q21 P193	V20-Q26 CarbonylContact O-C 3.55Å; V20-Q26 VanDerWaalsContact O-CA 3.3Å; V20-Q26 WeakPolarHBondContact O-CA 3.43Å; Q21-Q26 HydrophobicContact CG-CB 4.36Å; Q26-P193 HydrophobicContact CG-CG 4.17Å
27	V	93.2	Very high	93.5	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.2	171.4	-179.3	0	0	0	0	108.9	V20 F29 W73 R195	V20-V27 PolarHBondContact N-O 3.41Å; V20-V27 PolarHBondContact O-N 2.91Å; V27-F29 HydrophobicContact CB-CE2 4.36Å; V27-F29 HydrophobicContact CB-CZ 4.24Å; V27-F29 HydrophobicContact CG1-CD1 3.87Å; V27-F29 HydrophobicContact CG1-CD2 4.42Å; V27-F29 HydrophobicContact CG1-CE1 3.71Å; V27-F29 HydrophobicContact CG1-CE2 4.27Å; V27-F29 HydrophobicContact CG1-CG 4.24Å; V27-F29 HydrophobicContact CG1-CZ 3.92Å; V27-W73 HydrophobicContact CB-CE3 3.99Å; V27-W73 HydrophobicContact CB-CZ3 3.89Å; V27-W73 HydrophobicContact CG2-CE3 3.62Å; V27-W73 HydrophobicContact CG2-CZ3 3.63Å; V27-R195 HydrophobicContact CG1-CB 3.91Å
28	V	94.5	Very high	93.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	97.4	169.7	-176	0	0	0	0	107.7	M7 V17 D30 P192 P193 F194 R195	M7-V28 HydrophobicContact CE-CG1 3.84Å; M7-V28 HydrophobicContact CE-CG2 4.25Å; M7-V28 HydrophobicContact SD-CG1 4.13Å; V17-V28 HydrophobicContact CB-CG1 3.72Å; V17-V28 HydrophobicContact CG1-CG1 3.89Å; V17-V28 HydrophobicContact CG2-CG1 4.05Å; V28-D30 PolarHBondContact O-N 2.9Å; V28-P192 HydrophobicContact CG2-CB 3.89Å; V28-P193 HydrophobicContact CG2-CG 4.39Å; V28-P193 PolarHBondContact N-O 3.45Å; V28-F194 HydrophobicContact CB-CD1 4.01Å; V28-F194 HydrophobicContact CB-CE1 4.35Å; V28-F194 HydrophobicContact CG1-CD1 3.71Å; V28-F194 HydrophobicContact CG1-CE1 3.7Å; V28-F194 CarbonylContact O-C 3.56Å; V28-F194 WeakPolarHBondContact O-CA 3.26Å; V28-R195 PolarHBondContact O-N 3.15Å
29	F	94.8	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.8	176.3	-67.7	-64.1	0	0	0	109.4	V17 I18 V20 V27 F31 L55 I66 W73 R195 V197	V17-F29 CarbonylContact C-O 3.59Å; V17-F29 WeakPolarHBondContact CA-O 3.3Å; V17-F29 WeakPolarHBondContact CB-O 3.4Å; I18-F29 PolarHBondContact N-O 2.97Å; I18-F29 PolarHBondContact O-N 2.83Å; V20-F29 HydrophobicContact CB-CD2 4.42Å; V20-F29 HydrophobicContact CB-CE2 4.1Å; V20-F29 HydrophobicContact CG2-CD2 3.74Å; V20-F29 HydrophobicContact CG2-CE2 3.71Å; V27-F29 HydrophobicContact CB-CE2 4.36Å; V27-F29 HydrophobicContact CB-CZ 4.24Å; V27-F29 HydrophobicContact CG1-CD1 3.87Å; V27-F29 HydrophobicContact CG1-CD2 4.42Å; V27-F29 HydrophobicContact CG1-CE1 3.71Å; V27-F29 HydrophobicContact CG1-CE2 4.27Å; V27-F29 HydrophobicContact CG1-CG 4.24Å; V27-F29 HydrophobicContact CG1-CZ 3.92Å; F29-F31 HydrophobicContact CB-CE2 3.79Å; F29-F31 HydrophobicContact CB-CZ 3.9Å; F29-F31 WeakPolarHBondContact O-CE2 3.17Å; F29-L55 HydrophobicContact CD2-CD2 4.24Å; F29-L55 HydrophobicContact CE2-CD2 4.42Å; F29-I66 HydrophobicContact CD1-CD1 3.82Å; F29-I66 HydrophobicContact CD2-CD1 3.9Å; F29-I66 HydrophobicContact CE1-CD1 3.87Å; F29-I66 HydrophobicContact CE1-CG2 4.29Å; F29-I66 HydrophobicContact CE2-CD1 3.96Å; F29-I66 HydrophobicContact CE2-CG2 4.32Å; F29-I66 HydrophobicContact CG-CD1 3.83Å; F29-I66 HydrophobicContact CZ-CD1 3.94Å; F29-I66 HydrophobicContact CZ-CG2 3.79Å; F29-W73 HydrophobicContact CE2-CE3 4.11Å; F29-W73 HydrophobicContact CZ-CB 4.05Å; F29-W73 AromaticContact CZ-CE3 3.87Å; F29-W73 HydrophobicContact CZ-CE3 3.87Å; F29-R195 WeakPolarHBondContact CA-O 3.32Å; F29-R195 HydrophobicContact CD1-CB 4.46Å; F29-V197 HydrophobicContact CB-CG2 3.8Å; F29-V197 HydrophobicContact CD1-CB 4.48Å; F29-V197 HydrophobicContact CD1-CG1 3.66Å; F29-V197 HydrophobicContact CD1-CG2 3.99Å; F29-V197 HydrophobicContact CE1-CG1 4.14Å; F29-V197 HydrophobicContact CG-CG2 4.29Å
30	D	93.3	Very high	93.3	Very high	13 Å²	13	53.2 Å²	53.2	7%	0.07	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.3	-176.3	-176.1	46.7	0	0	0	111	R15 V17 V28 F194 R195 K196 V197	R15-D30 WeakPolarHBondContact CD-OD1 3.4Å; R15-D30 WeakPolarHBondContact CD-OD2 3.13Å; R15-D30 IonicContact CZ-OD2 3.85Å; R15-D30 IonicContact NE-OD2 4Å; R15-D30 IonicContact NH1-OD2 2.74Å; R15-D30 PolarHBondContact NH1-OD2 2.89Å; V17-D30 HydrophobicContact CG1-CB 4.18Å; V17-D30 WeakPolarHBondContact CG1-OD1 3.39Å; V28-D30 PolarHBondContact O-N 2.9Å; D30-F194 HydrophobicContact CB-CD1 4.33Å; D30-R195 PolarHBondContact N-O 3.05Å; D30-K196 WeakPolarHBondContact O-CA 3.47Å; D30-V197 PolarHBondContact O-N 3.38Å
31	F	94	Very high	93	Very high	4 Å²	4	57 Å²	57	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.4	-171	-57.8	-89.2	0	0	0	110.8	N16 I18 F29 S33 V35 V57 C59 V64 V197	N16-F31 HydrophobicContact CB-CB 4.32Å; N16-F31 WeakPolarHBondContact CB-O 3.49Å; N16-F31 PolarHBondContact ND2-O 2.87Å; N16-F31 WeakPolarHBondContact O-CD2 3.36Å; N16-F31 PolarHBondContact O-N 3.41Å; I18-F31 HydrophobicContact CB-CE2 4.26Å; I18-F31 HydrophobicContact CD1-CE2 4.21Å; I18-F31 HydrophobicContact CG1-CE2 4.25Å; F29-F31 HydrophobicContact CB-CE2 3.79Å; F29-F31 HydrophobicContact CB-CZ 3.9Å; F29-F31 WeakPolarHBondContact O-CE2 3.17Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-S33 PolarHBondContact O-N 2.94Å; F31-V35 HydrophobicContact CB-CG2 4.41Å; F31-V35 HydrophobicContact CD2-CG2 3.67Å; F31-V35 HydrophobicContact CE2-CG2 4.23Å; F31-V35 HydrophobicContact CG-CG2 4.16Å; F31-V57 HydrophobicContact CE1-CB 4.2Å; F31-V57 HydrophobicContact CE1-CG1 4.05Å; F31-V57 HydrophobicContact CE1-CG2 4.34Å; F31-V57 HydrophobicContact CE2-CG1 4.25Å; F31-V57 HydrophobicContact CZ-CB 4.11Å; F31-V57 HydrophobicContact CZ-CG1 3.89Å; F31-V57 HydrophobicContact CZ-CG2 3.84Å; F31-C59 VanDerWaalsContact CD1-SG 3.51Å; F31-V64 HydrophobicContact CD1-CG2 4.11Å; F31-V64 HydrophobicContact CE1-CB 3.94Å; F31-V64 HydrophobicContact CE1-CG1 4.11Å; F31-V64 HydrophobicContact CE1-CG2 3.92Å; F31-V197 HydrophobicContact CD1-CG2 3.82Å; F31-V197 HydrophobicContact CE1-CB 4.47Å; F31-V197 HydrophobicContact CE1-CG2 3.39Å; F31-V197 HydrophobicContact CE2-CG2 4.22Å; F31-V197 HydrophobicContact CG-CG2 4.41Å; F31-V197 HydrophobicContact CZ-CG2 3.6Å
32	T	91.9	Very high	92.5	Very high	34 Å²	34	55.2 Å²	55.2	21%	0.209	30%	0.303	C	S	.	.	S	Bend	trans	-75.7	-14.8	-177.9	48	0	0	0	0	114.5	Y200	T32-Y200 VanDerWaalsContact CB-O 3.3Å; T32-Y200 WeakPolarHBondContact CB-O 3.34Å; T32-Y200 WeakPolarHBondContact CG2-O 3.41Å; T32-Y200 PolarHBondContact OG1-O 3.01Å
33	S	92.9	Very high	91.7	Very high	10 Å²	10	54.2 Å²	54.2	7%	0.07	30%	0.302	C	S	.	.	S	Bend	trans	-126.8	164.3	174	59.1	0	0	0	0	111	N16 F31 V35 C59 E61	N16-S33 WeakPolarHBondContact CB-O 3.34Å; N16-S33 PolarHBondContact ND2-O 3.48Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-S33 PolarHBondContact O-N 2.94Å; S33-V35 PolarHBondContact O-N 3.1Å; S33-C59 WeakPolarHBondContact OG-CB 3.21Å; S33-E61 PolarHBondContact OG-N 2.94Å
34	Q	93.6	Very high	90.6	Very high	113 Å²	113	58.7 Å²	58.7	53%	0.528	31%	0.309	S	S	.	.			trans	-62.6	129.1	-173.9	-176.6	174.1	0.3	0	0	111.7	L36 C59 E60	Q34-L36 PolarHBondContact O-N 2.69Å; Q34-C59 CarbonylContact O-C 3.54Å; Q34-C59 WeakPolarHBondContact O-CA 3.49Å; Q34-E60 HydrophobicContact CB-CB 4.46Å; Q34-E60 PolarHBondContact O-N 2.74Å
35	V	95	Very high	89.1	Confident	15 Å²	15	51.6 Å²	51.6	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	118.6	168.9	176	0	0	0	0	108.8	I4 N16 I18 F31 S33 V57	I4-V35 HydrophobicContact CD1-CG1 3.86Å; I4-V35 HydrophobicContact CG1-CG1 4.25Å; N16-V35 HydrophobicContact CB-CG2 4.37Å; I18-V35 HydrophobicContact CD1-CG1 4.05Å; I18-V35 HydrophobicContact CG1-CG1 4.36Å; F31-V35 HydrophobicContact CB-CG2 4.41Å; F31-V35 HydrophobicContact CD2-CG2 3.67Å; F31-V35 HydrophobicContact CE2-CG2 4.23Å; F31-V35 HydrophobicContact CG-CG2 4.16Å; S33-V35 PolarHBondContact O-N 3.1Å; V35-V57 HydrophobicContact CG1-CG1 4.04Å; V35-V57 HydrophobicContact CG2-CG1 4.2Å
36	L	94.4	Very high	87.2	Confident	97 Å²	97	57.4 Å²	57.4	51%	0.508	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-46.5	178.2	-59.3	-177.8	0	0	0	111.5	Q34 L58 E60	Q34-L36 PolarHBondContact O-N 2.69Å; L36-L58 HydrophobicContact CB-CG 4.5Å; L36-L58 WeakPolarHBondContact CB-O 3.47Å; L36-L58 HydrophobicContact CD1-CG 4.48Å; L36-L58 PolarHBondContact N-O 3.44Å; L36-E60 HydrophobicContact CD1-CB 4.35Å; L36-E60 HydrophobicContact CD2-CB 4.33Å; L36-E60 HydrophobicContact CG-CB 4.34Å
37	D	94.6	Very high	85.2	Confident	106 Å²	106	60.2 Å²	60.2	57%	0.567	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.8	162.6	178.9	-164.5	15.3	0	0	0	111.3	L58	D37-L58 PolarHBondContact N-O 2.98Å; D37-L58 PolarHBondContact O-N 3.49Å
38	F	95.4	Very high	83.5	Confident	56 Å²	56	63.2 Å²	63.2	25%	0.246	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149.7	173.3	78.9	-76.5	0	0	0	112.3	F2 I4 I18 I40 L55 F56 V57	F2-F38 HydrophobicContact CB-CE2 3.91Å; F2-F38 HydrophobicContact CB-CZ 4.4Å; I4-F38 HydrophobicContact CD1-CD1 3.68Å; I4-F38 HydrophobicContact CD1-CE1 3.87Å; I4-F38 HydrophobicContact CG1-CD1 3.99Å; I4-F38 HydrophobicContact CG1-CE1 3.97Å; I18-F38 HydrophobicContact CD1-CB 3.73Å; I18-F38 HydrophobicContact CD1-CD1 4.47Å; I18-F38 HydrophobicContact CD1-CG 4.03Å; F38-I40 HydrophobicContact CD2-CG1 4.48Å; F38-I40 HydrophobicContact CE2-CD1 4.26Å; F38-I40 HydrophobicContact CE2-CG1 4.37Å; F38-L55 HydrophobicContact CB-CD1 4.19Å; F38-L55 HydrophobicContact CD2-CD1 3.65Å; F38-L55 HydrophobicContact CG-CD1 4.37Å; F38-F56 CarbonylContact C-O 3.6Å; F38-F56 VanDerWaalsContact CA-O 3.25Å; F38-F56 WeakPolarHBondContact CA-O 3.38Å; F38-F56 WeakPolarHBondContact CB-O 3.38Å; F38-V57 HydrophobicContact CB-CG2 4.46Å
39	S	94.6	Very high	81.5	Confident	71 Å²	71	68 Å²	68	50%	0.497	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.2	179.9	-173.5	0	0	0	0	111.1	F56	S39-F56 PolarHBondContact N-O 3.04Å; S39-F56 PolarHBondContact O-N 3.3Å
40	I	92.6	Very high	80.3	Confident	69 Å²	69	73.5 Å²	73.5	35%	0.354	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.8	-179	-56.8	160.8	0	0	0	107.8	F2 F38 P52 A54	F2-I40 HydrophobicContact CB-CD1 4.03Å; F2-I40 HydrophobicContact CD1-CD1 3.99Å; F2-I40 HydrophobicContact CD1-CG1 4.24Å; F2-I40 HydrophobicContact CD2-CD1 3.41Å; F2-I40 VanDerWaalsContact CD2-CD1 3.41Å; F2-I40 HydrophobicContact CD2-CG1 4.41Å; F2-I40 HydrophobicContact CE1-CD1 4.31Å; F2-I40 HydrophobicContact CE1-CG1 4.34Å; F2-I40 HydrophobicContact CE2-CD1 3.78Å; F2-I40 HydrophobicContact CG-CD1 3.55Å; F2-I40 HydrophobicContact CG-CG1 4.3Å; F2-I40 HydrophobicContact CZ-CD1 4.22Å; F2-I40 HydrophobicContact CZ-CG1 4.48Å; F2-I40 HydrophobicContact CZ-CG2 4.38Å; F38-I40 HydrophobicContact CD2-CG1 4.48Å; F38-I40 HydrophobicContact CE2-CD1 4.26Å; F38-I40 HydrophobicContact CE2-CG1 4.37Å; I40-P52 HydrophobicContact CG2-CB 3.6Å; I40-A54 WeakPolarHBondContact CA-O 3.27Å
41	F	88.4	Confident	79.7	Confident	79 Å²	79	79.2 Å²	79.2	35%	0.346	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.1	172	-173.6	-99.5	0	0	0	108.8	G53 A54 F56 P126	F41-G53 WeakPolarHBondContact O-CA 3.38Å; F41-G53 PolarHBondContact O-N 2.7Å; F41-A54 HydrophobicContact CB-CB 4.04Å; F41-A54 PolarHBondContact N-O 3.44Å; F41-A54 PolarHBondContact O-N 2.99Å; F41-F56 HydrophobicContact CB-CD2 4.46Å; F41-F56 HydrophobicContact CB-CE2 3.7Å; F41-F56 HydrophobicContact CB-CZ 4.09Å; F41-F56 HydrophobicContact CD2-CE2 4.4Å; F41-F56 HydrophobicContact CG-CE2 4.27Å; F41-F56 HydrophobicContact CG-CZ 4.48Å; F41-P126 HydrophobicContact CD1-CB 4.28Å; F41-P126 HydrophobicContact CE1-CB 4.22Å
42	A	84.1	Confident	79.5	Confident	39 Å²	39	80.5 Å²	80.5	32%	0.322	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	144.5	168.7	0	0	0	0	0	110.4	T50 E51	A42-T50 HydrophobicContact CB-CG2 4.16Å; A42-E51 WeakPolarHBondContact CA-O 3.44Å
43	A	73.5	Confident	79.4	Confident	27 Å²	27	79 Å²	79	22%	0.223	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-72.1	148.5	165	0	0	0	0	0	110.5	G45 E51 L69	A43-G45 PolarHBondContact O-N 3.27Å; A43-E51 PolarHBondContact N-O 3.37Å; A43-L69 HydrophobicContact CB-CD1 4.2Å
44	D	67.4	Low	79.5	Confident	167 Å²	167	78.6 Å²	78.6	89%	0.893	47%	0.473	S	S	*	.			trans	-70.6	79.5	171.7	-69.7	-50.5	0	0	0	110.3
45	G	58	Low	79.6	Confident	49 Å²	49	73.2 Å²	73.2	51%	0.505	45%	0.448	S	S	.	.			trans	-89	169.3	173.9	0	0	0	0	0	113.3	A43	A43-G45 PolarHBondContact O-N 3.27Å
46	E	52.4	Low	79.6	Confident	186 Å²	186	73.5 Å²	73.5	87%	0.869	45%	0.448	S	S	*	.	S	Bend	trans	-59.6	147	171	-67.4	-166.3	149.7	0	0	111.4	G48 C49	E46-G48 PolarHBondContact O-N 3.42Å; E46-C49 PolarHBondContact O-N 3.46Å
47	A	50.8	Low	79.7	Confident	118 Å²	118	68.9 Å²	68.9	98%	0.975	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	90	-164.5	0	0	0	0	0	113.8
48	G	57.5	Low	79.8	Confident	75 Å²	75	68 Å²	68	77%	0.773	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	164.2	-31.7	175.6	0	0	0	0	0	114.2	E46	E46-G48 PolarHBondContact O-N 3.42Å
49	C	52.8	Low	79.8	Confident	101 Å²	101	65.4 Å²	65.4	68%	0.682	41%	0.408	S	S	*	.			trans	-126.7	90.7	-178.3	-74.9	0	0	0	0	111.8	E46 E51	E46-C49 PolarHBondContact O-N 3.46Å; C49-E51 PolarHBondContact O-N 2.86Å; C49-E51 VanDerWaalsContact O-N 3.16Å
50	T	68.2	Low	79.7	Confident	114 Å²	114	65.6 Å²	65.6	70%	0.699	40%	0.401	S	S	*	.			trans	-79.3	88.1	170.2	49.7	0	0	0	0	110.3	A42	A42-T50 HydrophobicContact CB-CG2 4.16Å
51	E	81.4	Confident	79.6	Confident	134 Å²	134	63 Å²	63	63%	0.626	39%	0.387	S	S	*	.			trans	-66.4	139.8	170.8	-65.8	-167.8	151.2	0	0	110.5	A42 A43 C49 G53	A42-E51 WeakPolarHBondContact CA-O 3.44Å; A43-E51 PolarHBondContact N-O 3.37Å; C49-E51 PolarHBondContact O-N 2.86Å; C49-E51 VanDerWaalsContact O-N 3.16Å; E51-G53 PolarHBondContact O-N 2.93Å
52	P	89.6	Confident	79.8	Confident	31 Å²	31	59.8 Å²	59.8	20%	0.201	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	112.9	-180	30.5	-33.8	0	0	0	109.1	F2 L22 I40 L68	F2-P52 HydrophobicContact CE2-CB 4.22Å; F2-P52 HydrophobicContact CE2-CG 4.27Å; F2-P52 HydrophobicContact CZ-CB 3.83Å; F2-P52 HydrophobicContact CZ-CG 3.98Å; L22-P52 HydrophobicContact CD1-CG 3.92Å; L22-P52 HydrophobicContact CD2-CG 3.8Å; I40-P52 HydrophobicContact CG2-CB 3.6Å; P52-L68 HydrophobicContact CB-CD1 3.89Å; P52-L68 HydrophobicContact CG-CD1 4.44Å; P52-L68 WeakPolarHBondContact O-CB 3.16Å
53	G	90.5	Very high	80.3	Confident	3 Å²	3	59.8 Å²	59.8	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-33.4	-174.7	0	0	0	0	0	114.6	F41 E51 L68	F41-G53 WeakPolarHBondContact O-CA 3.38Å; F41-G53 PolarHBondContact O-N 2.7Å; E51-G53 PolarHBondContact O-N 2.93Å; G53-L68 PolarHBondContact O-N 2.92Å
54	A	94.2	Very high	81.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147.9	173.5	0	0	0	0	0	112.1	I40 F41 F56 I66 W76 P126	I40-A54 WeakPolarHBondContact CA-O 3.27Å; F41-A54 HydrophobicContact CB-CB 4.04Å; F41-A54 PolarHBondContact N-O 3.44Å; F41-A54 PolarHBondContact O-N 2.99Å; A54-F56 HydrophobicContact CB-CD1 4.48Å; A54-F56 HydrophobicContact CB-CE1 3.89Å; A54-F56 HydrophobicContact CB-CZ 3.98Å; A54-I66 WeakPolarHBondContact CA-O 2.94Å; A54-W76 HydrophobicContact CB-CH2 3.86Å; A54-W76 HydrophobicContact CB-CZ3 3.47Å; A54-W76 VanDerWaalsContact CB-CZ3 3.47Å; A54-P126 HydrophobicContact CB-CG 4.4Å
55	L	96	Very high	82.6	Confident	0 Å²	0	51 Å²	51	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.5	163.5	168.9	61	0	0	0	108.3	I18 V20 F29 F38 V57 A65 I66 L68	I18-L55 HydrophobicContact CG2-CD2 4.08Å; V20-L55 HydrophobicContact CG2-CD2 3.74Å; F29-L55 HydrophobicContact CD2-CD2 4.24Å; F29-L55 HydrophobicContact CE2-CD2 4.42Å; F38-L55 HydrophobicContact CB-CD1 4.19Å; F38-L55 HydrophobicContact CD2-CD1 3.65Å; F38-L55 HydrophobicContact CG-CD1 4.37Å; L55-V57 HydrophobicContact CD1-CG2 4.05Å; L55-V57 HydrophobicContact CD2-CG2 4.22Å; L55-V57 HydrophobicContact CG-CG2 3.82Å; L55-A65 CarbonylContact O-C 3.56Å; L55-A65 WeakPolarHBondContact O-CA 3.41Å; L55-I66 HydrophobicContact CB-CB 4.37Å; L55-I66 HydrophobicContact CD2-CD1 4.32Å; L55-I66 PolarHBondContact N-O 3.5Å; L55-I66 PolarHBondContact O-N 2.7Å; L55-L68 HydrophobicContact CB-CD1 4.08Å; L55-L68 HydrophobicContact CB-CD2 4.4Å; L55-L68 HydrophobicContact CB-CG 4.37Å
56	F	96.2	Very high	84.3	Confident	22 Å²	22	48.6 Å²	48.6	10%	0.096	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.1	169.7	-56.1	-47	0	0	0	109.5	F38 S39 F41 A54 F63 A65 W125 P126 V127	F38-F56 CarbonylContact C-O 3.6Å; F38-F56 VanDerWaalsContact CA-O 3.25Å; F38-F56 WeakPolarHBondContact CA-O 3.38Å; F38-F56 WeakPolarHBondContact CB-O 3.38Å; S39-F56 PolarHBondContact N-O 3.04Å; S39-F56 PolarHBondContact O-N 3.3Å; F41-F56 HydrophobicContact CB-CD2 4.46Å; F41-F56 HydrophobicContact CB-CE2 3.7Å; F41-F56 HydrophobicContact CB-CZ 4.09Å; F41-F56 HydrophobicContact CD2-CE2 4.4Å; F41-F56 HydrophobicContact CG-CE2 4.27Å; F41-F56 HydrophobicContact CG-CZ 4.48Å; A54-F56 HydrophobicContact CB-CD1 4.48Å; A54-F56 HydrophobicContact CB-CE1 3.89Å; A54-F56 HydrophobicContact CB-CZ 3.98Å; F56-F63 HydrophobicContact CB-CE2 3.96Å; F56-F63 HydrophobicContact CB-CZ 4.02Å; F56-F63 HydrophobicContact CD1-CZ 4.06Å; F56-F63 HydrophobicContact CG-CZ 4.17Å; F56-A65 HydrophobicContact CD1-CB 3.72Å; F56-A65 HydrophobicContact CE1-CB 4.07Å; F56-W125 HydrophobicContact CE1-CH2 4.09Å; F56-P126 HydrophobicContact CE1-CG 3.9Å; F56-P126 HydrophobicContact CZ-CB 4.42Å; F56-P126 HydrophobicContact CZ-CG 3.72Å; F56-V127 HydrophobicContact CE1-CG2 4.14Å; F56-V127 HydrophobicContact CE2-CG2 3.78Å; F56-V127 HydrophobicContact CZ-CG2 3.42Å; F56-V127 VanDerWaalsContact CZ-CG2 3.42Å
57	V	96.4	Very high	86.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.1	-178.5	-171	0	0	0	0	108.3	I18 F31 V35 F38 L55 F63 V64	I18-V57 HydrophobicContact CD1-CB 4.2Å; I18-V57 HydrophobicContact CD1-CG1 3.57Å; I18-V57 HydrophobicContact CD1-CG2 3.55Å; F31-V57 HydrophobicContact CE1-CB 4.2Å; F31-V57 HydrophobicContact CE1-CG1 4.05Å; F31-V57 HydrophobicContact CE1-CG2 4.34Å; F31-V57 HydrophobicContact CE2-CG1 4.25Å; F31-V57 HydrophobicContact CZ-CB 4.11Å; F31-V57 HydrophobicContact CZ-CG1 3.89Å; F31-V57 HydrophobicContact CZ-CG2 3.84Å; V35-V57 HydrophobicContact CG1-CG1 4.04Å; V35-V57 HydrophobicContact CG2-CG1 4.2Å; F38-V57 HydrophobicContact CB-CG2 4.46Å; L55-V57 HydrophobicContact CD1-CG2 4.05Å; L55-V57 HydrophobicContact CD2-CG2 4.22Å; L55-V57 HydrophobicContact CG-CG2 3.82Å; V57-F63 VanDerWaalsContact O-CD2 3.23Å; V57-F63 WeakPolarHBondContact O-CD2 3.46Å; V57-V64 HydrophobicContact CB-CB 4.46Å; V57-V64 PolarHBondContact N-O 2.75Å; V57-V64 PolarHBondContact O-N 3.16Å
58	L	96	Very high	88.4	Confident	86 Å²	86	34.8 Å²	34.8	45%	0.45	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.4	169.1	-179.8	62.3	0	0	0	107.8	L36 D37	L36-L58 HydrophobicContact CB-CG 4.5Å; L36-L58 WeakPolarHBondContact CB-O 3.47Å; L36-L58 HydrophobicContact CD1-CG 4.48Å; L36-L58 PolarHBondContact N-O 3.44Å; D37-L58 PolarHBondContact N-O 2.98Å; D37-L58 PolarHBondContact O-N 3.49Å
59	C	94.7	Very high	90	Very high	2 Å²	2	34 Å²	34	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	172.6	166.9	-58	0	0	0	0	109.6	F31 S33 Q34 E62	F31-C59 VanDerWaalsContact CD1-SG 3.51Å; S33-C59 WeakPolarHBondContact OG-CB 3.21Å; Q34-C59 CarbonylContact O-C 3.54Å; Q34-C59 WeakPolarHBondContact O-CA 3.49Å; C59-E62 CarbonylContact C-O 3.3Å; C59-E62 WeakPolarHBondContact CA-O 3.35Å; C59-E62 WeakPolarHBondContact CB-O 2.92Å; C59-E62 PolarHBondContact N-O 3.33Å
60	E	93.3	Very high	91.8	Very high	76 Å²	76	30.8 Å²	30.8	36%	0.355	16%	0.163	S	C	.	.	S	Bend	trans	-66.8	-37.8	-178	-177.5	168.9	-170	0	0	113	Q34 L36 K492	Q34-E60 HydrophobicContact CB-CB 4.46Å; Q34-E60 PolarHBondContact O-N 2.74Å; L36-E60 HydrophobicContact CD1-CB 4.35Å; L36-E60 HydrophobicContact CD2-CB 4.33Å; L36-E60 HydrophobicContact CG-CB 4.34Å; E60-K492 VanDerWaalsContact CG-CE 3.5Å; E60-K492 WeakPolarHBondContact O-CE 3.41Å; E60-K492 IonicContact OE1-NZ 3.14Å; E60-K492 PolarHBondContact OE1-NZ 2.93Å
61	E	90.8	Very high	92.7	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.065	17%	0.166	C	C	.	.	S	Bend	trans	-103.8	-16.4	-177.5	-63.5	-54.6	133.2	0	0	114.4	S33 H85 Y200 E491 K492	S33-E61 PolarHBondContact OG-N 2.94Å; E61-H85 PolarHBondContact O-CE1 3.34Å; E61-H85 PolarHBondContact O-NE2 2.84Å; E61-H85 IonicContact OE2-CD2 2.72Å; E61-H85 PolarHBondContact OE2-CD2 3.16Å; E61-H85 VanDerWaalsContact OE2-CD2 3.31Å; E61-H85 IonicContact OE2-CE1 3Å; E61-H85 IonicContact OE2-NE2 2.66Å; E61-H85 PolarHBondContact OE2-NE2 2.92Å; E61-Y200 HydrophobicContact CB-CD1 3.73Å; E61-Y200 HydrophobicContact CB-CD2 3.79Å; E61-Y200 HydrophobicContact CB-CE1 3.9Å; E61-Y200 HydrophobicContact CB-CE2 3.96Å; E61-Y200 HydrophobicContact CB-CG 3.68Å; E61-Y200 HydrophobicContact CG-CD1 4.07Å; E61-Y200 HydrophobicContact CG-CD2 4.32Å; E61-Y200 HydrophobicContact CG-CE1 3.7Å; E61-Y200 HydrophobicContact CG-CE2 3.97Å; E61-Y200 HydrophobicContact CG-CG 4.38Å; E61-E491 WeakPolarHBondContact OE1-CB 3.46Å; E61-K492 WeakPolarHBondContact OE1-CE 3.43Å; E61-K492 IonicContact OE1-NZ 3.88Å; E61-K492 PolarHBondContact OE1-NZ 3.35Å; E61-K492 PolarHBondContact OE2-N 3.44Å; E61-K492 VanDerWaalsContact OE2-N 3.12Å
62	E	91.9	Very high	93	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.051	15%	0.152	C	C	.	.			trans	-151.8	162.1	179.2	69.2	-178.7	144.5	0	0	114.3	C59 V64 P83 G198 S199 Y200	C59-E62 CarbonylContact C-O 3.3Å; C59-E62 WeakPolarHBondContact CA-O 3.35Å; C59-E62 WeakPolarHBondContact CB-O 2.92Å; C59-E62 PolarHBondContact N-O 3.33Å; E62-V64 HydrophobicContact CG-CG2 4Å; E62-P83 HydrophobicContact CB-CB 4.01Å; E62-P83 HydrophobicContact CB-CG 3.74Å; E62-G198 VanDerWaalsContact OE1-CA 3.25Å; E62-G198 WeakPolarHBondContact OE1-CA 3.34Å; E62-S199 PolarHBondContact OE1-N 2.79Å; E62-S199 WeakPolarHBondContact OE2-CA 3.19Å; E62-S199 PolarHBondContact OE2-N 2.88Å; E62-S199 PolarHBondContact OE2-OG 2.96Å; E62-Y200 WeakPolarHBondContact OE1-CB 3.37Å; E62-Y200 PolarHBondContact OE1-N 2.91Å; E62-Y200 PolarHBondContact OE2-N 2.96Å
63	F	94	Very high	93.2	Very high	40 Å²	40	27.8 Å²	27.8	18%	0.175	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.4	168.7	179	-119.1	0	0	0	109	F56 V57 A65 L78 W125	F56-F63 HydrophobicContact CB-CE2 3.96Å; F56-F63 HydrophobicContact CB-CZ 4.02Å; F56-F63 HydrophobicContact CD1-CZ 4.06Å; F56-F63 HydrophobicContact CG-CZ 4.17Å; V57-F63 VanDerWaalsContact O-CD2 3.23Å; V57-F63 WeakPolarHBondContact O-CD2 3.46Å; F63-A65 HydrophobicContact CE1-CB 4.5Å; F63-L78 HydrophobicContact CB-CD1 4.41Å; F63-L78 HydrophobicContact CD1-CD1 3.95Å; F63-L78 HydrophobicContact CD1-CD2 3.87Å; F63-L78 HydrophobicContact CE1-CD2 4.05Å; F63-L78 WeakPolarHBondContact O-CD1 3.41Å; F63-W125 AromaticContact CE1-CH2 3.86Å; F63-W125 HydrophobicContact CE1-CH2 3.86Å; F63-W125 HydrophobicContact CE1-CZ2 4.25Å; F63-W125 HydrophobicContact CZ-CH2 4.49Å
64	V	94.4	Very high	93.2	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.3	178	-172.5	0	0	0	0	109.4	F31 V57 E62 I66	F31-V64 HydrophobicContact CD1-CG2 4.11Å; F31-V64 HydrophobicContact CE1-CB 3.94Å; F31-V64 HydrophobicContact CE1-CG1 4.11Å; F31-V64 HydrophobicContact CE1-CG2 3.92Å; V57-V64 HydrophobicContact CB-CB 4.46Å; V57-V64 PolarHBondContact N-O 2.75Å; V57-V64 PolarHBondContact O-N 3.16Å; E62-V64 HydrophobicContact CG-CG2 4Å; V64-I66 HydrophobicContact CG1-CD1 4.47Å; V64-I66 HydrophobicContact CG1-CG1 4.17Å
65	A	95	Very high	93.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129	179.7	0	0	0	0	0	109.5	L55 F56 F63 C75 W76 L78 W125	L55-A65 CarbonylContact O-C 3.56Å; L55-A65 WeakPolarHBondContact O-CA 3.41Å; F56-A65 HydrophobicContact CD1-CB 3.72Å; F56-A65 HydrophobicContact CE1-CB 4.07Å; F63-A65 HydrophobicContact CE1-CB 4.5Å; A65-C75 CarbonylContact O-C 3.6Å; A65-C75 VanDerWaalsContact O-CA 3.24Å; A65-C75 WeakPolarHBondContact O-CA 3.25Å; A65-W76 HydrophobicContact CB-CB 4.29Å; A65-W76 HydrophobicContact CB-CE3 4.12Å; A65-W76 PolarHBondContact O-N 3.01Å; A65-L78 HydrophobicContact CB-CD2 4.2Å; A65-W125 HydrophobicContact CB-CH2 3.63Å; A65-W125 HydrophobicContact CB-CZ3 3.53Å
66	I	95	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.8	-169.9	-57.9	171.5	0	0	0	109.4	F29 A54 L55 V64 L68 W73 W76	F29-I66 HydrophobicContact CD1-CD1 3.82Å; F29-I66 HydrophobicContact CD2-CD1 3.9Å; F29-I66 HydrophobicContact CE1-CD1 3.87Å; F29-I66 HydrophobicContact CE1-CG2 4.29Å; F29-I66 HydrophobicContact CE2-CD1 3.96Å; F29-I66 HydrophobicContact CE2-CG2 4.32Å; F29-I66 HydrophobicContact CG-CD1 3.83Å; F29-I66 HydrophobicContact CZ-CD1 3.94Å; F29-I66 HydrophobicContact CZ-CG2 3.79Å; A54-I66 WeakPolarHBondContact CA-O 2.94Å; L55-I66 HydrophobicContact CB-CB 4.37Å; L55-I66 HydrophobicContact CD2-CD1 4.32Å; L55-I66 PolarHBondContact N-O 3.5Å; L55-I66 PolarHBondContact O-N 2.7Å; V64-I66 HydrophobicContact CG1-CD1 4.47Å; V64-I66 HydrophobicContact CG1-CG1 4.17Å; I66-L68 HydrophobicContact CG2-CD2 4.4Å; I66-L68 PolarHBondContact O-N 3.42Å; I66-W73 HydrophobicContact CG2-CB 4.02Å; I66-W76 WeakPolarHBondContact O-CZ3 3.36Å
67	D	94.1	Very high	92.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	108.4	-178.7	177.2	9	0	0	0	110.8	L69 S70 W73 P74 W76 S121 R123	D67-L69 PolarHBondContact OD1-N 2.82Å; D67-S70 VanDerWaalsContact OD2-CB 3.28Å; D67-S70 WeakPolarHBondContact OD2-CB 3.35Å; D67-S70 PolarHBondContact OD2-OG 3.31Å; D67-W73 WeakPolarHBondContact O-CA 3.3Å; D67-P74 HydrophobicContact CB-CG 4.23Å; D67-P74 PolarHBondContact N-O 2.96Å; D67-W76 HydrophobicContact CB-CD2 4.38Å; D67-W76 HydrophobicContact CB-CE3 4.1Å; D67-W76 HydrophobicContact CB-CH2 3.54Å; D67-W76 HydrophobicContact CB-CZ2 3.83Å; D67-W76 HydrophobicContact CB-CZ3 3.68Å; D67-S121 WeakPolarHBondContact OD2-CB 3.31Å; D67-S121 PolarHBondContact OD2-OG 2.79Å; D67-R123 IonicContact OD1-NE 2.68Å; D67-R123 VanDerWaalsContact OD2-CD 3.3Å; D67-R123 WeakPolarHBondContact OD2-CD 3.16Å; D67-R123 IonicContact OD2-NE 3.25Å
68	L	94	Very high	92	Very high	14 Å²	14	33.1 Å²	33.1	7%	0.073	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-11.3	-176.9	-61	176.1	0	0	0	112.7	F2 L22 P52 G53 L55 I66 W73	F2-L68 HydrophobicContact CE1-CD1 3.82Å; F2-L68 HydrophobicContact CZ-CD1 3.85Å; L22-L68 HydrophobicContact CD1-CB 4.49Å; L22-L68 HydrophobicContact CD1-CD1 4.45Å; L22-L68 HydrophobicContact CD1-CD2 4.41Å; P52-L68 HydrophobicContact CB-CD1 3.89Å; P52-L68 HydrophobicContact CG-CD1 4.44Å; P52-L68 WeakPolarHBondContact O-CB 3.16Å; G53-L68 PolarHBondContact O-N 2.92Å; L55-L68 HydrophobicContact CB-CD1 4.08Å; L55-L68 HydrophobicContact CB-CD2 4.4Å; L55-L68 HydrophobicContact CB-CG 4.37Å; I66-L68 HydrophobicContact CG2-CD2 4.4Å; I66-L68 PolarHBondContact O-N 3.42Å; L68-W73 HydrophobicContact CD2-CD2 4.16Å; L68-W73 HydrophobicContact CD2-CG 4.21Å; L68-W73 PolarHBondContact O-NE1 2.89Å
69	L	91.5	Very high	91.6	Very high	59 Å²	59	31.2 Å²	31.2	31%	0.309	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	2.6	-179.2	-55.3	178.5	0	0	0	113.5	A43 D67 R123	A43-L69 HydrophobicContact CB-CD1 4.2Å; D67-L69 PolarHBondContact OD1-N 2.82Å; L69-R123 VanDerWaalsContact CB-CZ 3.45Å; L69-R123 PolarHBondContact O-NH2 3.3Å
70	S	91.3	Very high	91.2	Very high	32 Å²	32	34.9 Å²	34.9	22%	0.224	19%	0.186	C	C	.	.	S	Bend	trans	-119	131.8	178	-61.7	0	0	0	0	109.4	D67 D72 W73 R123	D67-S70 VanDerWaalsContact OD2-CB 3.28Å; D67-S70 WeakPolarHBondContact OD2-CB 3.35Å; D67-S70 PolarHBondContact OD2-OG 3.31Å; S70-D72 PolarHBondContact O-N 2.83Å; S70-W73 PolarHBondContact O-N 3.24Å; S70-R123 PolarHBondContact OG-NE 2.91Å
71	D	87.1	Confident	91	Very high	143 Å²	143	37.4 Å²	37.4	77%	0.765	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-40.7	-163.2	-58.6	-22.1	0	0	0	115.1	K25	K25-D71 PolarHBondContact NZ-O 2.84Å
72	D	87.6	Confident	90.8	Very high	61 Å²	61	38.5 Å²	38.5	33%	0.326	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.1	-176.5	-67.2	-57.9	0	0	0	114.6	K25 S70 R118 R195	K25-D72 PolarHBondContact NZ-O 2.7Å; S70-D72 PolarHBondContact O-N 2.83Å; D72-R118 IonicContact OD1-NH1 3.59Å; D72-R118 WeakPolarHBondContact OD2-CD 3.07Å; D72-R118 IonicContact OD2-CZ 2.7Å; D72-R118 IonicContact OD2-NE 3.93Å; D72-R118 IonicContact OD2-NH1 3.98Å; D72-R118 PolarHBondContact OD2-NH1 3.14Å; D72-R195 PolarHBondContact O-NH1 3.39Å
73	W	92.6	Very high	90.5	Very high	13 Å²	13	38.4 Å²	38.4	5%	0.049	21%	0.207	C	C	.	.			trans	57.8	65.6	-163.9	-56.2	-19.1	0	0	0	113.9	V20 L22 K25 V27 F29 I66 D67 L68 S70 R195	V20-W73 HydrophobicContact CB-CZ3 4.01Å; V20-W73 HydrophobicContact CG1-CE3 4.39Å; V20-W73 HydrophobicContact CG1-CH2 3.87Å; V20-W73 HydrophobicContact CG1-CZ3 3.72Å; L22-W73 HydrophobicContact CB-CH2 4.13Å; L22-W73 HydrophobicContact CB-CZ2 3.86Å; L22-W73 HydrophobicContact CD1-CH2 4.31Å; L22-W73 HydrophobicContact CD1-CZ2 3.77Å; L22-W73 HydrophobicContact CG-CH2 4.27Å; L22-W73 HydrophobicContact CG-CZ2 4.1Å; K25-W73 HydrophobicContact CB-CH2 3.98Å; K25-W73 HydrophobicContact CB-CZ2 4.13Å; K25-W73 HydrophobicContact CD-CD2 4.06Å; K25-W73 HydrophobicContact CD-CE3 4.22Å; K25-W73 HydrophobicContact CD-CH2 3.79Å; K25-W73 HydrophobicContact CD-CZ2 3.59Å; K25-W73 HydrophobicContact CD-CZ3 4.11Å; K25-W73 HydrophobicContact CG-CH2 3.65Å; K25-W73 HydrophobicContact CG-CZ2 3.93Å; K25-W73 HydrophobicContact CG-CZ3 4.03Å; V27-W73 HydrophobicContact CB-CE3 3.99Å; V27-W73 HydrophobicContact CB-CZ3 3.89Å; V27-W73 HydrophobicContact CG2-CE3 3.62Å; V27-W73 HydrophobicContact CG2-CZ3 3.63Å; F29-W73 HydrophobicContact CE2-CE3 4.11Å; F29-W73 HydrophobicContact CZ-CB 4.05Å; F29-W73 AromaticContact CZ-CE3 3.87Å; F29-W73 HydrophobicContact CZ-CE3 3.87Å; I66-W73 HydrophobicContact CG2-CB 4.02Å; D67-W73 WeakPolarHBondContact O-CA 3.3Å; L68-W73 HydrophobicContact CD2-CD2 4.16Å; L68-W73 HydrophobicContact CD2-CG 4.21Å; L68-W73 PolarHBondContact O-NE1 2.89Å; S70-W73 PolarHBondContact O-N 3.24Å; W73-R195 PolarHBondContact O-NH1 3.46Å
74	P	91.6	Very high	90.1	Very high	13 Å²	13	37.3 Å²	37.3	8%	0.084	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-76.7	161.3	175.6	34.7	-36.6	0	0	0	112.2	D67 R118	D67-P74 HydrophobicContact CB-CG 4.23Å; D67-P74 PolarHBondContact N-O 2.96Å; P74-R118 WeakPolarHBondContact CB-O 3.45Å
75	C	91.5	Very high	89.6	Confident	21 Å²	21	37.9 Å²	37.9	14%	0.142	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-79.6	161.3	172.6	-68	0	0	0	0	111.1	A65 T119 F120 S121	A65-C75 CarbonylContact O-C 3.6Å; A65-C75 VanDerWaalsContact O-CA 3.24Å; A65-C75 WeakPolarHBondContact O-CA 3.25Å; C75-T119 PolarHBondContact N-O 3.02Å; C75-T119 VanDerWaalsContact N-O 3.16Å; C75-F120 HydrophobicContact CB-CD1 4.38Å; C75-F120 CarbonylContact O-C 3.58Å; C75-F120 WeakPolarHBondContact O-CA 3.25Å; C75-S121 PolarHBondContact O-N 3.11Å
76	W	91.1	Very high	89.1	Confident	20 Å²	20	38.2 Å²	38.2	8%	0.076	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-88	140.5	164.7	-91.9	-72.4	0	0	0	111.2	A54 A65 I66 D67 L78 R123 W125 P126	A54-W76 HydrophobicContact CB-CH2 3.86Å; A54-W76 HydrophobicContact CB-CZ3 3.47Å; A54-W76 VanDerWaalsContact CB-CZ3 3.47Å; A65-W76 HydrophobicContact CB-CB 4.29Å; A65-W76 HydrophobicContact CB-CE3 4.12Å; A65-W76 PolarHBondContact O-N 3.01Å; I66-W76 WeakPolarHBondContact O-CZ3 3.36Å; D67-W76 HydrophobicContact CB-CD2 4.38Å; D67-W76 HydrophobicContact CB-CE3 4.1Å; D67-W76 HydrophobicContact CB-CH2 3.54Å; D67-W76 HydrophobicContact CB-CZ2 3.83Å; D67-W76 HydrophobicContact CB-CZ3 3.68Å; W76-L78 PolarHBondContact O-N 3.43Å; W76-R123 HydrophobicContact CZ2-CB 4.06Å; W76-R123 PolarHBondContact NE1-O 2.88Å; W76-W125 HydrophobicContact CB-CE3 3.75Å; W76-W125 HydrophobicContact CB-CZ3 3.62Å; W76-W125 HydrophobicContact CD2-CE3 4.22Å; W76-W125 HydrophobicContact CD2-CZ3 4.28Å; W76-W125 HydrophobicContact CE3-CZ3 4.45Å; W76-W125 AromaticContact CG-CE3 3.76Å; W76-W125 HydrophobicContact CG-CE3 3.76Å; W76-W125 AromaticContact CG-CZ3 3.95Å; W76-W125 HydrophobicContact CG-CZ3 3.95Å; W76-P126 HydrophobicContact CH2-CG 4.05Å; W76-P126 HydrophobicContact CZ2-CG 4.23Å; W76-P126 HydrophobicContact CZ3-CG 4.19Å
77	S	86.5	Confident	88.8	Confident	68 Å²	68	38.4 Å²	38.4	48%	0.476	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-69.8	120.9	159.9	-175	0	0	0	0	108.5
78	L	88.9	Confident	88.6	Confident	15 Å²	15	39.5 Å²	39.5	8%	0.079	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-78.1	129.8	-170.3	-67.1	-177.9	0	0	0	112.2	F63 A65 W76 Y80 Q82 W125	F63-L78 HydrophobicContact CB-CD1 4.41Å; F63-L78 HydrophobicContact CD1-CD1 3.95Å; F63-L78 HydrophobicContact CD1-CD2 3.87Å; F63-L78 HydrophobicContact CE1-CD2 4.05Å; F63-L78 WeakPolarHBondContact O-CD1 3.41Å; A65-L78 HydrophobicContact CB-CD2 4.2Å; W76-L78 PolarHBondContact O-N 3.43Å; L78-Y80 VanDerWaalsContact C-N 3.28Å; L78-Y80 WeakPolarHBondContact CB-O 3.44Å; L78-Y80 PolarHBondContact O-N 2.65Å; L78-Q82 HydrophobicContact CB-CB 4.39Å; L78-W125 HydrophobicContact CD2-CH2 3.73Å; L78-W125 HydrophobicContact CD2-CZ3 3.76Å
79	P	86.4	Confident	88.3	Confident	46 Å²	46	39.2 Å²	39.2	30%	0.299	21%	0.214	S	C	.	.	S	Bend	trans	-78.5	-10.9	174.4	32	-35	0	0	0	113.7	W125 A162	P79-W125 HydrophobicContact CG-CB 4.43Å; P79-W125 HydrophobicContact CG-CD2 3.94Å; P79-W125 HydrophobicContact CG-CG 3.77Å; P79-A162 WeakPolarHBondContact O-CB 3.23Å
80	Y	87.4	Confident	88.3	Confident	79 Å²	79	37 Å²	37	31%	0.31	20%	0.203	S	C	.	.	S	Bend	trans	-161.8	166	-179.8	43.8	-114.8	0	0	0	110	L78 Q82 W125 V127	L78-Y80 VanDerWaalsContact C-N 3.28Å; L78-Y80 WeakPolarHBondContact CB-O 3.44Å; L78-Y80 PolarHBondContact O-N 2.65Å; Y80-Q82 PolarHBondContact O-N 2.92Å; Y80-W125 HydrophobicContact CE2-CZ2 4.18Å; Y80-W125 AromaticContact CZ-NE1 3.46Å; Y80-W125 PolarHBondContact OH-NE1 2.77Å; Y80-V127 WeakPolarHBondContact OH-CB 3.24Å; Y80-V127 PolarHBondContact OH-O 3.29Å; Y80-V127 VanDerWaalsContact OH-O 3.09Å
81	L	87.9	Confident	88.2	Confident	128 Å²	128	35.6 Å²	35.6	67%	0.67	19%	0.194	S	C	*	.			trans	60.3	22.2	-179.2	-56.3	173.2	0	0	0	114.6
82	Q	86.2	Confident	88.3	Confident	37 Å²	37	29 Å²	29	17%	0.173	16%	0.159	C	C	.	.			trans	-72	132.3	175.2	-167.1	167.3	25.1	0	0	110.3	L78 Y80 F84 W156	L78-Q82 HydrophobicContact CB-CB 4.39Å; Y80-Q82 PolarHBondContact O-N 2.92Å; Q82-F84 PolarHBondContact O-N 2.86Å; Q82-F84 VanDerWaalsContact O-N 3.1Å; Q82-W156 HydrophobicContact CB-CZ3 4.25Å; Q82-W156 HydrophobicContact CG-CZ3 4.09Å
83	P	86.4	Confident	88.2	Confident	10 Å²	10	26.4 Å²	26.4	7%	0.065	15%	0.145	C	C	.	.			trans	-69.5	106.9	-175.7	26.7	-35.8	0	0	0	112.1	E62 H85 A86 S199	E62-P83 HydrophobicContact CB-CB 4.01Å; E62-P83 HydrophobicContact CB-CG 3.74Å; P83-H85 PolarHBondContact O-N 2.87Å; P83-A86 HydrophobicContact CB-CB 4.23Å; P83-A86 HydrophobicContact CG-CB 4.1Å; P83-A86 VanDerWaalsContact O-CB 3.27Å; P83-A86 WeakPolarHBondContact O-CB 3.33Å; P83-A86 PolarHBondContact O-N 2.66Å; P83-S199 VanDerWaalsContact CG-OG 3.25Å; P83-S199 WeakPolarHBondContact CG-OG 3.42Å
84	F	84.9	Confident	88	Confident	17 Å²	17	26.5 Å²	26.5	8%	0.075	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-60	-38.2	171.4	-82.2	-95	0	0	0	112	Q82 A86 L144 H148 W156 F163 A493 V495 F622	Q82-F84 PolarHBondContact O-N 2.86Å; Q82-F84 VanDerWaalsContact O-N 3.1Å; F84-A86 VanDerWaalsContact C-N 3.26Å; F84-A86 PolarHBondContact O-N 2.81Å; F84-L144 HydrophobicContact CE1-CD2 3.83Å; F84-L144 HydrophobicContact CZ-CD2 4.47Å; F84-H148 PolarHBondContact O-CE1 2.88Å; F84-W156 AromaticContact CD1-CD2 3.94Å; F84-W156 HydrophobicContact CD1-CD2 3.94Å; F84-W156 AromaticContact CD1-CE2 3.59Å; F84-W156 HydrophobicContact CD1-CE3 4.3Å; F84-W156 HydrophobicContact CD1-CG 4.5Å; F84-W156 HydrophobicContact CD1-CH2 4.05Å; F84-W156 AromaticContact CD1-CZ2 3.66Å; F84-W156 HydrophobicContact CD1-CZ2 3.66Å; F84-W156 HydrophobicContact CD1-CZ3 4.35Å; F84-W156 AromaticContact CD1-NE1 3.96Å; F84-W156 HydrophobicContact CD2-CZ3 4.43Å; F84-W156 HydrophobicContact CE1-CB 4.32Å; F84-W156 AromaticContact CE1-CD1 3.84Å; F84-W156 AromaticContact CE1-CD2 3.32Å; F84-W156 HydrophobicContact CE1-CD2 3.32Å; F84-W156 AromaticContact CE1-CE2 3.46Å; F84-W156 VanDerWaalsContact CE1-CE2 3.46Å; F84-W156 AromaticContact CE1-CE3 3.72Å; F84-W156 HydrophobicContact CE1-CE3 3.72Å; F84-W156 AromaticContact CE1-CG 3.6Å; F84-W156 HydrophobicContact CE1-CG 3.6Å; F84-W156 HydrophobicContact CE1-CH2 4.3Å; F84-W156 AromaticContact CE1-CZ2 3.97Å; F84-W156 HydrophobicContact CE1-CZ2 3.97Å; F84-W156 HydrophobicContact CE1-CZ3 4.18Å; F84-W156 AromaticContact CE1-NE1 3.76Å; F84-W156 HydrophobicContact CE2-CE3 4.21Å; F84-W156 HydrophobicContact CE2-CZ3 4.25Å; F84-W156 HydrophobicContact CG-CH2 4.17Å; F84-W156 HydrophobicContact CG-CZ2 4.17Å; F84-W156 HydrophobicContact CG-CZ3 4.47Å; F84-W156 HydrophobicContact CZ-CB 4.45Å; F84-W156 AromaticContact CZ-CD2 3.72Å; F84-W156 HydrophobicContact CZ-CD2 3.72Å; F84-W156 AromaticContact CZ-CE3 3.66Å; F84-W156 HydrophobicContact CZ-CE3 3.66Å; F84-W156 HydrophobicContact CZ-CG 4.09Å; F84-W156 HydrophobicContact CZ-CZ3 4.12Å; F84-F163 HydrophobicContact CE2-CB 4.39Å; F84-F163 HydrophobicContact CZ-CB 3.72Å; F84-F163 HydrophobicContact CZ-CG 4.45Å; F84-A493 HydrophobicContact CB-CB 4.07Å; F84-V495 HydrophobicContact CE2-CG2 4.25Å; F84-V495 HydrophobicContact CZ-CG2 4.37Å; F84-F622 HydrophobicContact CB-CD1 4.34Å; F84-F622 HydrophobicContact CD1-CD1 4.18Å; F84-F622 AromaticContact CD1-CE1 3.65Å; F84-F622 HydrophobicContact CD1-CE1 3.65Å; F84-F622 HydrophobicContact CE1-CE1 4.11Å; F84-F622 HydrophobicContact CG-CD1 4.4Å; F84-F622 HydrophobicContact CG-CE1 4.3Å
85	H	83.6	Confident	87.8	Confident	18 Å²	18	25.9 Å²	25.9	8%	0.083	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-88.3	16.4	-178	66.3	-61.1	0	0	0	113.4	E61 P83 S87 K492	E61-H85 PolarHBondContact O-CE1 3.34Å; E61-H85 PolarHBondContact O-NE2 2.84Å; E61-H85 IonicContact OE2-CD2 2.72Å; E61-H85 PolarHBondContact OE2-CD2 3.16Å; E61-H85 VanDerWaalsContact OE2-CD2 3.31Å; E61-H85 IonicContact OE2-CE1 3Å; E61-H85 IonicContact OE2-NE2 2.66Å; E61-H85 PolarHBondContact OE2-NE2 2.92Å; P83-H85 PolarHBondContact O-N 2.87Å; H85-S87 CarbonylContact C-O 3.57Å; H85-S87 CarbonylContact O-C 3.56Å; H85-S87 WeakPolarHBondContact O-CA 3.45Å; H85-S87 PolarHBondContact O-N 2.8Å; H85-K492 PolarHBondContact NE2-N 2.92Å
86	A	86.5	Confident	87.4	Confident	9 Å²	9	25.3 Å²	25.3	7%	0.074	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-48.4	-30.6	173.1	0	0	0	0	0	113.7	P83 F84 S199 D201	P83-A86 HydrophobicContact CB-CB 4.23Å; P83-A86 HydrophobicContact CG-CB 4.1Å; P83-A86 VanDerWaalsContact O-CB 3.27Å; P83-A86 WeakPolarHBondContact O-CB 3.33Å; P83-A86 PolarHBondContact O-N 2.66Å; F84-A86 VanDerWaalsContact C-N 3.26Å; F84-A86 PolarHBondContact O-N 2.81Å; A86-S199 WeakPolarHBondContact CB-O 3.44Å; A86-D201 PolarHBondContact O-N 2.91Å
87	S	88.4	Confident	87.2	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.021	15%	0.148	C	C	.	.	S	Bend	trans	-131.6	146.7	149.8	174.3	0	0	0	0	106.7	H85 V89 H148 D150	H85-S87 CarbonylContact C-O 3.57Å; H85-S87 CarbonylContact O-C 3.56Å; H85-S87 WeakPolarHBondContact O-CA 3.45Å; H85-S87 PolarHBondContact O-N 2.8Å; S87-V89 PolarHBondContact O-N 2.84Å; S87-H148 PolarHBondContact O-ND1 2.91Å; S87-D150 VanDerWaalsContact CB-CG 3.4Å; S87-D150 VanDerWaalsContact CB-OD2 3.29Å; S87-D150 WeakPolarHBondContact CB-OD2 3.25Å; S87-D150 WeakPolarHBondContact OG-CB 3.16Å; S87-D150 PolarHBondContact OG-N 2.78Å; S87-D150 VanDerWaalsContact OG-N 3.14Å
88	P	88.7	Confident	87.4	Confident	23 Å²	23	23.9 Å²	23.9	15%	0.149	13%	0.126	C	C	.	.			trans	-50.3	134.7	-175.4	-30.4	35.6	0	0	0	113.7	T90 H148 E149	P88-T90 PolarHBondContact O-N 2.79Å; P88-H148 CarbonylContact O-C 3.5Å; P88-H148 WeakPolarHBondContact O-CA 3.1Å; P88-E149 HydrophobicContact CB-CB 4.12Å; P88-E149 HydrophobicContact CG-CB 4.28Å; P88-E149 PolarHBondContact O-N 3.45Å
89	V	88.7	Confident	87.5	Confident	9 Å²	9	25.3 Å²	25.3	6%	0.055	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.9	-176.8	-177	0	0	0	0	110.3	S87 T146 L488 F622	S87-V89 PolarHBondContact O-N 2.84Å; V89-T146 HydrophobicContact CG1-CG2 4.06Å; V89-L488 VanDerWaalsContact O-CD1 3.29Å; V89-L488 WeakPolarHBondContact O-CD1 3.19Å; V89-F622 HydrophobicContact CB-CD2 4.39Å; V89-F622 HydrophobicContact CB-CG 4.39Å; V89-F622 HydrophobicContact CG1-CD2 3.81Å; V89-F622 HydrophobicContact CG1-CE2 3.99Å; V89-F622 HydrophobicContact CG1-CG 4.24Å; V89-F622 HydrophobicContact CG2-CD1 4.49Å; V89-F622 HydrophobicContact CG2-CG 4.38Å
90	T	90.8	Very high	87.9	Confident	11 Å²	11	28.5 Å²	28.5	7%	0.067	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-14.4	-173.3	54.1	0	0	0	0	113.8	P88 G147 H148 E149 T210 V211	P88-T90 PolarHBondContact O-N 2.79Å; T90-G147 PolarHBondContact N-O 3.15Å; T90-G147 PolarHBondContact OG1-O 2.97Å; T90-H148 VanDerWaalsContact OG1-C 3.25Å; T90-H148 WeakPolarHBondContact OG1-CA 3.42Å; T90-H148 PolarHBondContact OG1-O 2.88Å; T90-E149 HydrophobicContact CG2-CB 4.22Å; T90-T210 HydrophobicContact CG2-CG2 3.71Å; T90-V211 CarbonylContact C-O 3.53Å; T90-V211 WeakPolarHBondContact CB-O 3.42Å; T90-V211 PolarHBondContact OG1-O 3.05Å
91	A	89.4	Confident	88.2	Confident	4 Å²	4	28.2 Å²	28.2	3%	0.033	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155	171.1	0	0	0	0	0	111.7	T146 G147 V211 H212 I214	A91-T146 WeakPolarHBondContact O-CA 3.25Å; A91-G147 PolarHBondContact N-O 2.96Å; A91-G147 PolarHBondContact O-N 2.75Å; A91-V211 HydrophobicContact CB-CG1 4.03Å; A91-V211 WeakPolarHBondContact CB-O 3.41Å; A91-H212 WeakPolarHBondContact CB-O 3.48Å; A91-I214 HydrophobicContact CB-CD1 4.12Å; A91-I214 HydrophobicContact CB-CG1 4.28Å
92	C	88.2	Confident	88.6	Confident	5 Å²	5	22.5 Å²	22.5	3%	0.034	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	145.5	173.4	62.8	0	0	0	0	110.5	V145 S479 V611 F622	C92-V145 CarbonylContact C-O 3.52Å; C92-V145 WeakPolarHBondContact CA-O 3.48Å; C92-S479 PolarHBondContact O-OG 2.9Å; C92-V611 HydrophobicContact CB-CG2 4.11Å; C92-F622 HydrophobicContact CB-CE2 3.95Å
93	F	87.2	Confident	89	Confident	5 Å²	5	21.3 Å²	21.3	2%	0.022	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.8	172.7	-174	-90.1	0	0	0	108.8	L95 V145 I214 C215 L216 W477	F93-L95 HydrophobicContact CE1-CB 4.14Å; F93-V145 PolarHBondContact N-O 3.42Å; F93-V145 PolarHBondContact O-N 2.83Å; F93-I214 HydrophobicContact CB-CB 4.09Å; F93-I214 HydrophobicContact CB-CG2 3.58Å; F93-I214 VanDerWaalsContact CD2-O 3.28Å; F93-I214 WeakPolarHBondContact CD2-O 3.38Å; F93-I214 HydrophobicContact CG-CG2 4.16Å; F93-C215 HydrophobicContact CE2-CB 4.34Å; F93-L216 HydrophobicContact CD1-CB 4.34Å; F93-L216 HydrophobicContact CD1-CD1 3.47Å; F93-L216 VanDerWaalsContact CD1-CD1 3.47Å; F93-L216 HydrophobicContact CE1-CB 3.79Å; F93-L216 HydrophobicContact CE1-CD1 3.84Å; F93-L216 HydrophobicContact CE1-CG 4.45Å; F93-L216 HydrophobicContact CG-CD1 4.13Å; F93-L216 HydrophobicContact CZ-CB 4.29Å; F93-L216 VanDerWaalsContact CZ-N 3.35Å; F93-W477 HydrophobicContact CE1-CE3 4.35Å; F93-W477 HydrophobicContact CE2-CB 4.2Å; F93-W477 WeakPolarHBondContact CE2-O 3.48Å; F93-W477 HydrophobicContact CZ-CB 4.12Å; F93-W477 AromaticContact CZ-CE3 3.83Å; F93-W477 HydrophobicContact CZ-CE3 3.83Å
94	Y	87.2	Confident	89.5	Confident	16 Å²	16	24 Å²	24	6%	0.063	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.2	176.2	-157.1	-72.8	0	0	0	111.2	S96 D142 L143 L144 G158 F163 T613 Y618	Y94-S96 WeakPolarHBondContact CE1-OG 3.38Å; Y94-D142 HydrophobicContact CE1-CB 3.69Å; Y94-D142 WeakPolarHBondContact CE1-OD2 3.42Å; Y94-D142 VanDerWaalsContact OH-CB 3.28Å; Y94-D142 WeakPolarHBondContact OH-CB 3.48Å; Y94-L143 WeakPolarHBondContact CA-O 3.41Å; Y94-L144 HydrophobicContact CD2-CB 3.9Å; Y94-L144 HydrophobicContact CD2-CD1 4Å; Y94-L144 HydrophobicContact CE2-CB 3.92Å; Y94-G158 WeakPolarHBondContact OH-CA 3.19Å; Y94-G158 PolarHBondContact OH-O 3.18Å; Y94-F163 HydrophobicContact CE2-CE1 4.42Å; Y94-T613 HydrophobicContact CD1-CG2 3.74Å; Y94-T613 HydrophobicContact CD2-CG2 4.01Å; Y94-T613 HydrophobicContact CE1-CG2 4.33Å; Y94-T613 HydrophobicContact CG-CG2 3.56Å; Y94-Y618 HydrophobicContact CD2-CE2 4.04Å; Y94-Y618 HydrophobicContact CE1-CE2 4.23Å; Y94-Y618 AromaticContact CE1-CZ 3.91Å; Y94-Y618 WeakPolarHBondContact CE1-OH 3.19Å; Y94-Y618 AromaticContact CE2-CE2 3.53Å; Y94-Y618 HydrophobicContact CE2-CE2 3.53Å; Y94-Y618 AromaticContact CE2-CZ 3.98Å; Y94-Y618 AromaticContact CZ-CE2 3.63Å; Y94-Y618 AromaticContact CZ-CZ 3.55Å; Y94-Y618 PolarHBondContact OH-OH 2.71Å
95	L	87.5	Confident	90	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.9	177.4	171.9	56.5	0	0	0	108.3	F93 I98 D142 L143 W477	F93-L95 HydrophobicContact CE1-CB 4.14Å; L95-I98 HydrophobicContact CD2-CB 3.88Å; L95-I98 HydrophobicContact CD2-CD1 3.95Å; L95-I98 HydrophobicContact CD2-CG1 4.01Å; L95-I98 HydrophobicContact CG-CB 4.01Å; L95-D142 CarbonylContact O-C 3.54Å; L95-D142 WeakPolarHBondContact O-CA 3.41Å; L95-L143 HydrophobicContact CB-CB 4.44Å; L95-L143 PolarHBondContact N-O 3.47Å; L95-L143 PolarHBondContact O-N 3.16Å; L95-W477 HydrophobicContact CD1-CH2 3.62Å; L95-W477 HydrophobicContact CD1-CZ3 3.45Å; L95-W477 VanDerWaalsContact CD1-CZ3 3.45Å
96	S	84.1	Confident	90.6	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.063	14%	0.144	C	C	.	.	S	Bend	trans	-86.4	147.8	172.1	-74.4	0	0	0	0	111.3	Y94 I98 D142	Y94-S96 WeakPolarHBondContact CE1-OG 3.38Å; S96-I98 PolarHBondContact O-N 2.62Å; S96-D142 WeakPolarHBondContact CA-OD2 3.4Å; S96-D142 VanDerWaalsContact CB-OD2 3.27Å; S96-D142 WeakPolarHBondContact CB-OD2 3.2Å; S96-D142 PolarHBondContact OG-OD2 3.16Å
97	D	85.8	Confident	90.9	Very high	57 Å²	57	31 Å²	31	31%	0.305	16%	0.163	S	C	.	.	S	Bend	trans	52.9	43.2	175.5	-146.3	19.8	0	0	0	115	C140 L141 D142	D97-C140 HydrophobicContact CB-CB 4.01Å; D97-C140 WeakPolarHBondContact OD1-CA 3.27Å; D97-C140 WeakPolarHBondContact OD1-CB 3.46Å; D97-L141 CarbonylContact C-O 3.55Å; D97-L141 WeakPolarHBondContact CA-O 3.25Å; D97-L141 PolarHBondContact N-O 2.93Å; D97-D142 PolarHBondContact N-OD1 3.39Å
98	I	90.5	Very high	91.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.181	C	C	.	.			trans	-58.4	136.6	173	-178.9	177.9	0	0	0	110.4	L95 S96 R100 T102 F103 I106 L141 L143	L95-I98 HydrophobicContact CD2-CB 3.88Å; L95-I98 HydrophobicContact CD2-CD1 3.95Å; L95-I98 HydrophobicContact CD2-CG1 4.01Å; L95-I98 HydrophobicContact CG-CB 4.01Å; S96-I98 PolarHBondContact O-N 2.62Å; I98-R100 PolarHBondContact O-N 2.76Å; I98-T102 HydrophobicContact CD1-CG2 3.92Å; I98-F103 HydrophobicContact CG2-CB 4.15Å; I98-F103 HydrophobicContact CG2-CD2 3.93Å; I98-I106 HydrophobicContact CD1-CD1 3.87Å; I98-L141 HydrophobicContact CG2-CB 4.02Å; I98-L141 VanDerWaalsContact CG2-O 3.23Å; I98-L141 WeakPolarHBondContact CG2-O 3.5Å; I98-L141 PolarHBondContact N-O 2.8Å; I98-L143 HydrophobicContact CD1-CD1 3.56Å; I98-L143 HydrophobicContact CG2-CD1 4.01Å; I98-L143 HydrophobicContact CG2-CG 4.01Å
99	P	91.9	Very high	91.4	Very high	44 Å²	44	33.1 Å²	33.1	29%	0.286	18%	0.175	S	C	.	.			trans	-49.2	128.8	174.2	-30.8	36	0	0	0	113.2	A101 T102 F103	P99-A101 PolarHBondContact O-N 2.9Å; P99-A101 VanDerWaalsContact O-N 3.11Å; P99-T102 PolarHBondContact O-N 3.46Å; P99-F103 PolarHBondContact O-N 2.85Å
100	R	93.8	Very high	91.5	Very high	114 Å²	114	33.1 Å²	33.1	43%	0.43	18%	0.178	S	C	.	.	H	α-helix	trans	-55.2	-35.3	-174.8	-62.8	-173.1	173.2	-108.3	-5.1	113.6	I98 F103 S104 P138 P139 L141	I98-R100 PolarHBondContact O-N 2.76Å; R100-F103 PolarHBondContact O-N 3.06Å; R100-S104 PolarHBondContact O-N 3.47Å; R100-S104 PolarHBondContact O-OG 3.01Å; R100-P138 PolarHBondContact NH2-O 3.32Å; R100-P139 VanDerWaalsContact NH2-C 3.31Å; R100-P139 PolarHBondContact NH2-O 2.97Å; R100-L141 HydrophobicContact CB-CD1 4.16Å; R100-L141 HydrophobicContact CG-CD1 3.79Å; R100-L141 HydrophobicContact CG-CG 4.31Å
101	A	95	Very high	91.2	Very high	72 Å²	72	38.1 Å²	38.1	60%	0.595	20%	0.203	S	C	*	.	H	α-helix	trans	-62.4	-45.7	175	0	0	0	0	0	112.2	P99 S104 R105	P99-A101 PolarHBondContact O-N 2.9Å; P99-A101 VanDerWaalsContact O-N 3.11Å; A101-S104 PolarHBondContact O-N 2.91Å; A101-R105 WeakPolarHBondContact O-CG 3.32Å; A101-R105 PolarHBondContact O-N 2.58Å
102	T	95.9	Very high	90.9	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	23%	0.225	C	C	.	.	H	α-helix	trans	-65.7	-43.6	176.2	-44.1	0	0	0	0	111.3	I98 P99 S104 R105 I106 E219 G220 R221 L237	I98-T102 HydrophobicContact CD1-CG2 3.92Å; P99-T102 PolarHBondContact O-N 3.46Å; T102-S104 VanDerWaalsContact C-N 3.34Å; T102-S104 PolarHBondContact O-N 3.06Å; T102-R105 PolarHBondContact O-N 3.18Å; T102-R105 VanDerWaalsContact O-N 3.15Å; T102-I106 HydrophobicContact CG2-CD1 4.17Å; T102-I106 HydrophobicContact CG2-CG1 4.47Å; T102-I106 WeakPolarHBondContact O-CG1 3.19Å; T102-I106 PolarHBondContact O-N 2.93Å; T102-E219 VanDerWaalsContact CB-O 3.28Å; T102-E219 WeakPolarHBondContact CB-O 3.45Å; T102-E219 VanDerWaalsContact CG2-O 3.25Å; T102-E219 WeakPolarHBondContact CG2-O 3.18Å; T102-E219 PolarHBondContact OG1-O 3.44Å; T102-G220 WeakPolarHBondContact CG2-O 3.36Å; T102-R221 HydrophobicContact CG2-CG 3.8Å; T102-L237 HydrophobicContact CG2-CD2 3.52Å
103	F	95.5	Very high	90.4	Very high	11 Å²	11	47.3 Å²	47.3	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-57.4	-46.2	177.1	-175.3	-80.5	0	0	0	111.9	I98 P99 R100 R105 I106 R107 L141 L143 H157 I166	I98-F103 HydrophobicContact CG2-CB 4.15Å; I98-F103 HydrophobicContact CG2-CD2 3.93Å; P99-F103 PolarHBondContact O-N 2.85Å; R100-F103 PolarHBondContact O-N 3.06Å; F103-R105 PolarHBondContact O-N 3.25Å; F103-I106 PolarHBondContact O-N 3.45Å; F103-R107 PolarHBondContact O-N 3.22Å; F103-L141 HydrophobicContact CB-CB 4.44Å; F103-L141 HydrophobicContact CB-CD1 3.69Å; F103-L141 HydrophobicContact CD1-CD1 3.7Å; F103-L141 HydrophobicContact CD2-CB 3.92Å; F103-L141 HydrophobicContact CD2-CD1 4.16Å; F103-L141 HydrophobicContact CE1-CD1 4.41Å; F103-L141 HydrophobicContact CE2-CB 4.44Å; F103-L141 HydrophobicContact CG-CB 4.17Å; F103-L141 HydrophobicContact CG-CD1 3.57Å; F103-L141 HydrophobicContact CG-CG 4.42Å; F103-L143 HydrophobicContact CD2-CD2 3.85Å; F103-L143 HydrophobicContact CD2-CG 4.16Å; F103-L143 HydrophobicContact CE2-CD2 3.57Å; F103-L143 HydrophobicContact CE2-CG 4.29Å; F103-H157 HydrophobicContact CE2-CB 4.48Å; F103-H157 AromaticContact CE2-CE1 3.84Å; F103-H157 AromaticContact CE2-CG 3.93Å; F103-H157 AromaticContact CE2-ND1 3.58Å; F103-H157 HydrophobicContact CZ-CB 4.17Å; F103-H157 AromaticContact CZ-CD2 3.54Å; F103-H157 AromaticContact CZ-CE1 3.65Å; F103-H157 AromaticContact CZ-CG 3.54Å; F103-H157 AromaticContact CZ-ND1 3.59Å; F103-H157 AromaticContact CZ-NE2 3.63Å; F103-I166 HydrophobicContact CD2-CD1 4.27Å; F103-I166 HydrophobicContact CE1-CD1 4.39Å; F103-I166 HydrophobicContact CE2-CD1 3.74Å; F103-I166 HydrophobicContact CZ-CD1 3.78Å; F103-I166 HydrophobicContact CZ-CG2 4.46Å
104	S	95.4	Very high	89	Confident	66 Å²	66	49.8 Å²	49.8	46%	0.462	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-43.3	175.3	-67.6	0	0	0	0	112	R100 A101 T102 I106 R107 T108	R100-S104 PolarHBondContact O-N 3.47Å; R100-S104 PolarHBondContact O-OG 3.01Å; A101-S104 PolarHBondContact O-N 2.91Å; T102-S104 VanDerWaalsContact C-N 3.34Å; T102-S104 PolarHBondContact O-N 3.06Å; S104-I106 PolarHBondContact O-N 2.69Å; S104-R107 PolarHBondContact O-N 2.65Å; S104-T108 WeakPolarHBondContact O-CB 3.39Å; S104-T108 PolarHBondContact O-N 2.8Å; S104-T108 PolarHBondContact O-OG1 2.59Å; S104-T108 VanDerWaalsContact O-OG1 3.11Å
105	R	96.5	Very high	87.3	Confident	70 Å²	70	51.4 Å²	51.4	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-60	-43.8	175.7	-70.5	172.8	70.2	-133.5	2.3	112.4	A101 T102 F103 T108 A109 L237 D239	A101-R105 WeakPolarHBondContact O-CG 3.32Å; A101-R105 PolarHBondContact O-N 2.58Å; T102-R105 PolarHBondContact O-N 3.18Å; T102-R105 VanDerWaalsContact O-N 3.15Å; F103-R105 PolarHBondContact O-N 3.25Å; R105-T108 PolarHBondContact O-N 3.32Å; R105-A109 VanDerWaalsContact O-CB 3.3Å; R105-A109 WeakPolarHBondContact O-CB 3.43Å; R105-A109 PolarHBondContact O-N 2.73Å; R105-L237 HydrophobicContact CB-CD2 3.87Å; R105-L237 PolarHBondContact NH2-O 2.88Å; R105-D239 WeakPolarHBondContact CG-OD1 3.44Å; R105-D239 IonicContact CZ-OD1 2.76Å; R105-D239 IonicContact CZ-OD2 3.51Å; R105-D239 VanDerWaalsContact CZ-OD2 3.25Å; R105-D239 VanDerWaalsContact NE-CG 3.31Å; R105-D239 IonicContact NE-OD1 2.84Å; R105-D239 PolarHBondContact NE-OD1 2.82Å; R105-D239 IonicContact NE-OD2 2.82Å; R105-D239 PolarHBondContact NE-OD2 2.95Å; R105-D239 IonicContact NH2-OD1 3.63Å; R105-D239 IonicContact NH2-OD2 2.84Å; R105-D239 PolarHBondContact NH2-OD2 2.86Å
106	I	96.1	Very high	85.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-46.8	175.3	-65.1	169.1	0	0	0	110.7	I98 T102 F103 S104 A109 G110 L143 F155 I166 Y167 L237 F281	I98-I106 HydrophobicContact CD1-CD1 3.87Å; T102-I106 HydrophobicContact CG2-CD1 4.17Å; T102-I106 HydrophobicContact CG2-CG1 4.47Å; T102-I106 WeakPolarHBondContact O-CG1 3.19Å; T102-I106 PolarHBondContact O-N 2.93Å; F103-I106 PolarHBondContact O-N 3.45Å; S104-I106 PolarHBondContact O-N 2.69Å; I106-A109 WeakPolarHBondContact O-CB 3.28Å; I106-A109 PolarHBondContact O-N 3.12Å; I106-G110 PolarHBondContact O-N 2.71Å; I106-L143 HydrophobicContact CD1-CD1 3.94Å; I106-F155 HydrophobicContact CD1-CD1 4.42Å; I106-F155 HydrophobicContact CD1-CE1 4.29Å; I106-F155 HydrophobicContact CG2-CD1 4.09Å; I106-I166 HydrophobicContact CB-CD1 4.46Å; I106-I166 HydrophobicContact CG2-CD1 3.79Å; I106-I166 HydrophobicContact CG2-CG1 4.16Å; I106-Y167 HydrophobicContact CG2-CG 4.18Å; I106-L237 HydrophobicContact CD1-CD2 4.41Å; I106-L237 HydrophobicContact CG1-CD1 4.11Å; I106-L237 HydrophobicContact CG1-CD2 3.62Å; I106-F281 HydrophobicContact CD1-CE2 4.45Å; I106-F281 HydrophobicContact CD1-CZ 4.41Å; I106-F281 HydrophobicContact CG1-CE2 4.23Å
107	R	93.4	Very high	83.4	Confident	123 Å²	123	66.7 Å²	66.7	46%	0.464	34%	0.344	S	S	.	.	H	α-helix	trans	-64.3	-43.7	178.8	-173.3	180	179.1	-161.1	-2.6	112.1	F103 S104 A109 G110 L111	F103-R107 PolarHBondContact O-N 3.22Å; S104-R107 PolarHBondContact O-N 2.65Å; R107-A109 VanDerWaalsContact C-N 3.35Å; R107-G110 PolarHBondContact O-N 3.45Å; R107-G110 VanDerWaalsContact O-N 3.15Å; R107-L111 HydrophobicContact CG-CD1 4.41Å; R107-L111 WeakPolarHBondContact O-CG 2.96Å; R107-L111 PolarHBondContact O-N 3.08Å
108	T	93.5	Very high	81.8	Confident	66 Å²	66	72.6 Å²	72.6	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-36.8	176.7	-63.8	0	0	0	0	111.7	S104 R105 G110 L111 K112	S104-T108 WeakPolarHBondContact O-CB 3.39Å; S104-T108 PolarHBondContact O-N 2.8Å; S104-T108 PolarHBondContact O-OG1 2.59Å; S104-T108 VanDerWaalsContact O-OG1 3.11Å; R105-T108 PolarHBondContact O-N 3.32Å; T108-G110 VanDerWaalsContact C-N 3.33Å; T108-L111 PolarHBondContact O-N 2.79Å; T108-K112 HydrophobicContact CG2-CD 4.27Å; T108-K112 WeakPolarHBondContact O-CB 3.14Å; T108-K112 VanDerWaalsContact O-CG 3.28Å; T108-K112 WeakPolarHBondContact O-CG 3.43Å; T108-K112 PolarHBondContact O-N 2.88Å
109	A	93.4	Very high	80.6	Confident	3 Å²	3	76 Å²	76	3%	0.025	38%	0.383	C	S	.	.	H	α-helix	trans	-61.4	-40.1	170.3	0	0	0	0	0	112.2	R105 I106 R107 K112 R113 Y167 P279	R105-A109 VanDerWaalsContact O-CB 3.3Å; R105-A109 WeakPolarHBondContact O-CB 3.43Å; R105-A109 PolarHBondContact O-N 2.73Å; I106-A109 WeakPolarHBondContact O-CB 3.28Å; I106-A109 PolarHBondContact O-N 3.12Å; R107-A109 VanDerWaalsContact C-N 3.35Å; A109-K112 PolarHBondContact O-N 3.1Å; A109-R113 WeakPolarHBondContact O-CB 3.05Å; A109-R113 PolarHBondContact O-N 2.94Å; A109-Y167 HydrophobicContact CB-CD2 3.97Å; A109-Y167 HydrophobicContact CB-CE2 3.95Å; A109-P279 HydrophobicContact CB-CB 4.48Å
110	G	90.1	Very high	80.2	Confident	10 Å²	10	77.7 Å²	77.7	10%	0.103	39%	0.386	C	S	.	.	H	α-helix	trans	-64.9	-45.3	176.1	0	0	0	0	0	112.7	I106 R107 T108 K112 R113 A114 I166	I106-G110 PolarHBondContact O-N 2.71Å; R107-G110 PolarHBondContact O-N 3.45Å; R107-G110 VanDerWaalsContact O-N 3.15Å; T108-G110 VanDerWaalsContact C-N 3.33Å; G110-K112 PolarHBondContact O-N 3.29Å; G110-R113 PolarHBondContact O-N 3.12Å; G110-R113 VanDerWaalsContact O-N 3.09Å; G110-A114 PolarHBondContact O-N 3.31Å; G110-A114 VanDerWaalsContact O-N 3.1Å; G110-I166 WeakPolarHBondContact CA-O 3.3Å
111	L	86	Confident	80	Confident	115 Å²	115	73 Å²	73	60%	0.602	37%	0.371	S	S	*	.	H	α-helix	trans	-62.4	-39.9	174.5	-66.6	170.5	0	0	0	112.1	R107 T108 R113 A114	R107-L111 HydrophobicContact CG-CD1 4.41Å; R107-L111 WeakPolarHBondContact O-CG 2.96Å; R107-L111 PolarHBondContact O-N 3.08Å; T108-L111 PolarHBondContact O-N 2.79Å; L111-R113 VanDerWaalsContact C-N 3.25Å; L111-R113 PolarHBondContact O-N 3.21Å; L111-A114 PolarHBondContact O-N 3.17Å
112	K	83	Confident	79.6	Confident	116 Å²	116	78 Å²	78	50%	0.504	39%	0.386	S	S	.	.	H	α-helix	trans	-66.8	-23.3	173	-74.6	174.6	176	177.8	0	113.5	T108 A109 G110 D239 P279	T108-K112 HydrophobicContact CG2-CD 4.27Å; T108-K112 WeakPolarHBondContact O-CB 3.14Å; T108-K112 VanDerWaalsContact O-CG 3.28Å; T108-K112 WeakPolarHBondContact O-CG 3.43Å; T108-K112 PolarHBondContact O-N 2.88Å; A109-K112 PolarHBondContact O-N 3.1Å; G110-K112 PolarHBondContact O-N 3.29Å; K112-D239 PolarHBondContact NZ-O 2.9Å; K112-P279 HydrophobicContact CB-CB 4.48Å; K112-P279 HydrophobicContact CD-CB 3.91Å; K112-P279 HydrophobicContact CD-CG 3.97Å
113	R	76.5	Confident	79.3	Confident	87 Å²	87	83.2 Å²	83.2	33%	0.328	41%	0.405	S	S	.	.	H	α-helix	trans	-88.6	-18.5	179.8	-169.2	168	-162.6	146.7	14.4	113.1	A109 G110 L111 Y167 A168 V278	A109-R113 WeakPolarHBondContact O-CB 3.05Å; A109-R113 PolarHBondContact O-N 2.94Å; G110-R113 PolarHBondContact O-N 3.12Å; G110-R113 VanDerWaalsContact O-N 3.09Å; L111-R113 VanDerWaalsContact C-N 3.25Å; L111-R113 PolarHBondContact O-N 3.21Å; R113-Y167 PolarHBondContact NH1-OH 3.29Å; R113-Y167 VanDerWaalsContact NH1-OH 3.09Å; R113-A168 WeakPolarHBondContact CD-O 3.23Å; R113-A168 PolarHBondContact NH1-O 2.77Å; R113-V278 HydrophobicContact CG-CG2 4.02Å
114	A	58.3	Low	79	Confident	56 Å²	56	85.3 Å²	85.3	46%	0.463	42%	0.421	S	S	.	.	S	Bend	trans	-119.1	101.8	-178	0	0	0	0	0	112.4	G110 L111 F120	G110-A114 PolarHBondContact O-N 3.31Å; G110-A114 VanDerWaalsContact O-N 3.1Å; L111-A114 PolarHBondContact O-N 3.17Å; A114-F120 HydrophobicContact CB-CD2 4.31Å
115	P	52.1	Low	78.7	Confident	51 Å²	51	83.7 Å²	83.7	33%	0.331	41%	0.405	S	S	.	.			cis	-130.1	-178.8	-31.1	9.9	16	0	0	0	111.5	D117 T119 F120	P115-D117 WeakPolarHBondContact CB-O 3.36Å; P115-D117 WeakPolarHBondContact CG-O 3.06Å; P115-T119 WeakPolarHBondContact CG-OG1 3.25Å; P115-F120 HydrophobicContact CG-CD2 4Å
116	K	46.8	Very low	78.4	Confident	208 Å²	208	81.6 Å²	81.6	90%	0.904	40%	0.4	S	S	*	.	S	Bend	trans	-78.2	-32	163.8	-86.3	-172.6	173.6	-178.5	0	112.5
117	D	41.9	Very low	78.1	Confident	121 Å²	121	84.5 Å²	84.5	65%	0.647	42%	0.418	S	S	*	.	S	Bend	trans	-97.3	160.8	176.6	-62	-72.9	0	0	0	111.4	P115 T119	P115-D117 WeakPolarHBondContact CB-O 3.36Å; P115-D117 WeakPolarHBondContact CG-O 3.06Å; D117-T119 PolarHBondContact O-N 3.49Å
118	R	51.4	Low	77.8	Confident	182 Å²	182	84.5 Å²	84.5	69%	0.687	42%	0.421	S	S	*	.	S	Bend	trans	-81.4	37.3	-164.7	-57.6	180	179.2	178	-1.8	114.2	D72 P74 F120	D72-R118 IonicContact OD1-NH1 3.59Å; D72-R118 WeakPolarHBondContact OD2-CD 3.07Å; D72-R118 IonicContact OD2-CZ 2.7Å; D72-R118 IonicContact OD2-NE 3.93Å; D72-R118 IonicContact OD2-NH1 3.98Å; D72-R118 PolarHBondContact OD2-NH1 3.14Å; P74-R118 WeakPolarHBondContact CB-O 3.45Å; R118-F120 PolarHBondContact O-N 2.69Å
119	T	67	Low	77.6	Confident	71 Å²	71	85 Å²	85	44%	0.436	44%	0.44	S	S	.	.			trans	-73.1	-27.7	-172	65.1	0	0	0	0	113.6	C75 P115 D117	C75-T119 PolarHBondContact N-O 3.02Å; C75-T119 VanDerWaalsContact N-O 3.16Å; P115-T119 WeakPolarHBondContact CG-OG1 3.25Å; D117-T119 PolarHBondContact O-N 3.49Å
120	F	82.9	Confident	77.4	Confident	81 Å²	81	88.4 Å²	88.4	36%	0.355	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-115.3	144	177.9	-66.2	-64.1	0	0	0	114.1	C75 A114 P115 R118	C75-F120 HydrophobicContact CB-CD1 4.38Å; C75-F120 CarbonylContact O-C 3.58Å; C75-F120 WeakPolarHBondContact O-CA 3.25Å; A114-F120 HydrophobicContact CB-CD2 4.31Å; P115-F120 HydrophobicContact CG-CD2 4Å; R118-F120 PolarHBondContact O-N 2.69Å
121	S	88.9	Confident	77.1	Confident	16 Å²	16	99.5 Å²	99.5	11%	0.112	51%	0.514	C	S	.	.			trans	-68.3	136.5	174.3	179.3	0	0	0	0	111.5	D67 C75 R123	D67-S121 WeakPolarHBondContact OD2-CB 3.31Å; D67-S121 PolarHBondContact OD2-OG 2.79Å; C75-S121 PolarHBondContact O-N 3.11Å; S121-R123 VanDerWaalsContact C-N 3.34Å; S121-R123 WeakPolarHBondContact OG-CB 3.23Å; S121-R123 PolarHBondContact OG-N 2.83Å
122	L	87.1	Confident	76.4	Confident	175 Å²	175	98.8 Å²	98.8	92%	0.916	52%	0.517	S	S	*	.			trans	-84.9	-6.3	170.9	-58.5	176.5	0	0	0	112.7
123	R	89	Confident	76	Confident	120 Å²	120	100.9 Å²	100.9	45%	0.453	53%	0.534	S	S	.	.	S	Bend	trans	-74.8	144.2	178.2	-63.7	-172.7	178.9	-105.3	4.2	110.4	D67 L69 S70 W76 S121 W125	D67-R123 IonicContact OD1-NE 2.68Å; D67-R123 VanDerWaalsContact OD2-CD 3.3Å; D67-R123 WeakPolarHBondContact OD2-CD 3.16Å; D67-R123 IonicContact OD2-NE 3.25Å; L69-R123 VanDerWaalsContact CB-CZ 3.45Å; L69-R123 PolarHBondContact O-NH2 3.3Å; S70-R123 PolarHBondContact OG-NE 2.91Å; W76-R123 HydrophobicContact CZ2-CB 4.06Å; W76-R123 PolarHBondContact NE1-O 2.88Å; S121-R123 VanDerWaalsContact C-N 3.34Å; S121-R123 WeakPolarHBondContact OG-CB 3.23Å; S121-R123 PolarHBondContact OG-N 2.83Å; R123-W125 PolarHBondContact O-N 3.25Å
124	S	89.1	Confident	75.4	Confident	55 Å²	55	100.7 Å²	100.7	39%	0.385	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-59	138.6	174.9	71.5	0	0	0	0	111.5	K128	S124-K128 WeakPolarHBondContact OG-CE 3.49Å; S124-K128 PolarHBondContact OG-NZ 3.3Å
125	W	90.9	Very high	75.2	Confident	31 Å²	31	106.8 Å²	106.8	12%	0.117	57%	0.565	C	S	.	*	P	Polyproline II helix	trans	-47	125.3	177.5	178.4	-110.6	0	0	0	112.7	F56 F63 A65 W76 L78 P79 Y80 R123 V127 K128	F56-W125 HydrophobicContact CE1-CH2 4.09Å; F63-W125 AromaticContact CE1-CH2 3.86Å; F63-W125 HydrophobicContact CE1-CH2 3.86Å; F63-W125 HydrophobicContact CE1-CZ2 4.25Å; F63-W125 HydrophobicContact CZ-CH2 4.49Å; A65-W125 HydrophobicContact CB-CH2 3.63Å; A65-W125 HydrophobicContact CB-CZ3 3.53Å; W76-W125 HydrophobicContact CB-CE3 3.75Å; W76-W125 HydrophobicContact CB-CZ3 3.62Å; W76-W125 HydrophobicContact CD2-CE3 4.22Å; W76-W125 HydrophobicContact CD2-CZ3 4.28Å; W76-W125 HydrophobicContact CE3-CZ3 4.45Å; W76-W125 AromaticContact CG-CE3 3.76Å; W76-W125 HydrophobicContact CG-CE3 3.76Å; W76-W125 AromaticContact CG-CZ3 3.95Å; W76-W125 HydrophobicContact CG-CZ3 3.95Å; L78-W125 HydrophobicContact CD2-CH2 3.73Å; L78-W125 HydrophobicContact CD2-CZ3 3.76Å; P79-W125 HydrophobicContact CG-CB 4.43Å; P79-W125 HydrophobicContact CG-CD2 3.94Å; P79-W125 HydrophobicContact CG-CG 3.77Å; Y80-W125 HydrophobicContact CE2-CZ2 4.18Å; Y80-W125 AromaticContact CZ-NE1 3.46Å; Y80-W125 PolarHBondContact OH-NE1 2.77Å; R123-W125 PolarHBondContact O-N 3.25Å; W125-V127 HydrophobicContact CZ2-CB 4.08Å; W125-V127 HydrophobicContact CZ2-CG2 3.93Å; W125-V127 PolarHBondContact NE1-O 2.61Å; W125-K128 WeakPolarHBondContact O-CE 3.39Å; W125-K128 VanDerWaalsContact O-CG 3.26Å; W125-K128 WeakPolarHBondContact O-CG 3.29Å
126	P	90.1	Very high	75.8	Confident	26 Å²	26	108.6 Å²	108.6	17%	0.169	58%	0.578	C	S	.	*	S	Bend	trans	-72.5	-33.6	-172.5	24.5	-34.6	0	0	0	114.7	F41 A54 F56 W76 K128	F41-P126 HydrophobicContact CD1-CB 4.28Å; F41-P126 HydrophobicContact CE1-CB 4.22Å; A54-P126 HydrophobicContact CB-CG 4.4Å; F56-P126 HydrophobicContact CE1-CG 3.9Å; F56-P126 HydrophobicContact CZ-CB 4.42Å; F56-P126 HydrophobicContact CZ-CG 3.72Å; W76-P126 HydrophobicContact CH2-CG 4.05Å; W76-P126 HydrophobicContact CZ2-CG 4.23Å; W76-P126 HydrophobicContact CZ3-CG 4.19Å; P126-K128 VanDerWaalsContact C-N 3.34Å; P126-K128 PolarHBondContact O-N 3.46Å
127	V	89.9	Confident	77	Confident	61 Å²	61	102.6 Å²	102.6	37%	0.37	56%	0.563	S	S	.	*			trans	-83.5	78.5	-174.1	-169.4	0	0	0	0	110.9	F56 Y80 W125	F56-V127 HydrophobicContact CE1-CG2 4.14Å; F56-V127 HydrophobicContact CE2-CG2 3.78Å; F56-V127 HydrophobicContact CZ-CG2 3.42Å; F56-V127 VanDerWaalsContact CZ-CG2 3.42Å; Y80-V127 WeakPolarHBondContact OH-CB 3.24Å; Y80-V127 PolarHBondContact OH-O 3.29Å; Y80-V127 VanDerWaalsContact OH-O 3.09Å; W125-V127 HydrophobicContact CZ2-CB 4.08Å; W125-V127 HydrophobicContact CZ2-CG2 3.93Å; W125-V127 PolarHBondContact NE1-O 2.61Å
128	K	86.8	Confident	78.5	Confident	123 Å²	123	98.3 Å²	98.3	54%	0.535	54%	0.541	S	S	.	.			trans	-97.3	14.5	-176.6	-56.2	179	-175	175.7	0	114.5	S124 W125 P126	S124-K128 WeakPolarHBondContact OG-CE 3.49Å; S124-K128 PolarHBondContact OG-NZ 3.3Å; W125-K128 WeakPolarHBondContact O-CE 3.39Å; W125-K128 VanDerWaalsContact O-CG 3.26Å; W125-K128 WeakPolarHBondContact O-CG 3.29Å; P126-K128 VanDerWaalsContact C-N 3.34Å; P126-K128 PolarHBondContact O-N 3.46Å
129	G	88.4	Confident	79.7	Confident	78 Å²	78	92.4 Å²	92.4	80%	0.804	53%	0.527	S	S	*	.			trans	-65.4	141	-171.3	0	0	0	0	0	114.6
130	G	89	Confident	80.4	Confident	73 Å²	73	90.7 Å²	90.7	75%	0.753	52%	0.517	S	S	*	.	S	Bend	trans	96.9	-166.5	178	0	0	0	0	0	114.1
131	R	83.4	Confident	80.7	Confident	244 Å²	244	87.5 Å²	87.5	92%	0.921	50%	0.504	S	S	*	.			trans	-141.1	141.9	169.8	-69.4	-170.9	179.2	-164.3	-0.7	108.8
132	C	73.1	Confident	80.7	Confident	99 Å²	99	87.3 Å²	87.3	67%	0.669	50%	0.502	S	S	*	.			trans	-102.4	122.6	174.4	-163.4	0	0	0	0	109.8	S134	C132-S134 PolarHBondContact O-N 3.07Å; C132-S134 VanDerWaalsContact O-N 3.12Å; C132-S134 PolarHBondContact SG-OG 2.93Å; C132-S134 VanDerWaalsContact SG-OG 3.37Å
133	N	73.6	Confident	80.9	Confident	161 Å²	161	79 Å²	79	86%	0.861	46%	0.458	S	S	*	.	S	Bend	trans	-75.8	4.9	-174.8	-63.3	-7.1	0	0	0	113.8
134	S	63.7	Low	81	Confident	82 Å²	82	73.2 Å²	73.2	57%	0.573	44%	0.436	S	S	*	.			trans	-98.9	73.6	176.8	63.9	0	0	0	0	111.2	C132 S136	C132-S134 PolarHBondContact O-N 3.07Å; C132-S134 VanDerWaalsContact O-N 3.12Å; C132-S134 PolarHBondContact SG-OG 2.93Å; C132-S134 VanDerWaalsContact SG-OG 3.37Å; S134-S136 PolarHBondContact O-N 2.69Å
135	E	54.2	Low	81.2	Confident	185 Å²	185	70.6 Å²	70.6	86%	0.864	42%	0.418	S	S	*	.			trans	-72.5	-8	-179.9	-62.4	-178.3	163.5	0	0	113.9
136	S	65.5	Low	81.3	Confident	88 Å²	88	69.1 Å²	69.1	62%	0.615	41%	0.412	S	S	*	.	S	Bend	trans	-99.2	135.3	175.7	54.1	0	0	0	0	111.6	S134	S134-S136 PolarHBondContact O-N 2.69Å
137	S	70.7	Confident	81.5	Confident	83 Å²	83	67.9 Å²	67.9	58%	0.58	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-53.9	142.2	172.2	73.5	0	0	0	0	110.5
138	P	75.2	Confident	81.6	Confident	30 Å²	30	65 Å²	65	20%	0.195	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-55.4	143	-177.5	20.6	-31.9	0	0	0	111.7	R100 L141 L160	R100-P138 PolarHBondContact NH2-O 3.32Å; P138-L141 HydrophobicContact CG-CD2 3.85Å; P138-L160 HydrophobicContact CG-CD2 4.48Å
139	P	75.6	Confident	81.9	Confident	58 Å²	58	59.9 Å²	59.9	38%	0.377	37%	0.365	S	S	.	.	S	Bend	trans	-72.9	-40.9	-168.9	30.8	-37.8	0	0	0	112.7	R100 R502	R100-P139 VanDerWaalsContact NH2-C 3.31Å; R100-P139 PolarHBondContact NH2-O 2.97Å; P139-R502 HydrophobicContact CG-CG 4.29Å
140	C	81.4	Confident	82.1	Confident	36 Å²	36	58.6 Å²	58.6	24%	0.243	34%	0.339	C	S	.	.	S	Bend	trans	-110.2	145.7	169.7	57.4	0	0	0	0	107.8	D97 D142 S159	D97-C140 HydrophobicContact CB-CB 4.01Å; D97-C140 WeakPolarHBondContact OD1-CA 3.27Å; D97-C140 WeakPolarHBondContact OD1-CB 3.46Å; C140-D142 PolarHBondContact SG-OD1 2.82Å; C140-D142 VanDerWaalsContact SG-OD1 3.33Å; C140-S159 PolarHBondContact O-OG 2.85Å
141	L	89.3	Confident	82.3	Confident	13 Å²	13	55.1 Å²	55.1	7%	0.068	30%	0.304	C	S	.	.			trans	-100.3	123.3	170.2	-62.1	-177.4	0	0	0	107.6	D97 I98 R100 F103 P138 S159	D97-L141 CarbonylContact C-O 3.55Å; D97-L141 WeakPolarHBondContact CA-O 3.25Å; D97-L141 PolarHBondContact N-O 2.93Å; I98-L141 HydrophobicContact CG2-CB 4.02Å; I98-L141 VanDerWaalsContact CG2-O 3.23Å; I98-L141 WeakPolarHBondContact CG2-O 3.5Å; I98-L141 PolarHBondContact N-O 2.8Å; R100-L141 HydrophobicContact CB-CD1 4.16Å; R100-L141 HydrophobicContact CG-CD1 3.79Å; R100-L141 HydrophobicContact CG-CG 4.31Å; F103-L141 HydrophobicContact CB-CB 4.44Å; F103-L141 HydrophobicContact CB-CD1 3.69Å; F103-L141 HydrophobicContact CD1-CD1 3.7Å; F103-L141 HydrophobicContact CD2-CB 3.92Å; F103-L141 HydrophobicContact CD2-CD1 4.16Å; F103-L141 HydrophobicContact CE1-CD1 4.41Å; F103-L141 HydrophobicContact CE2-CB 4.44Å; F103-L141 HydrophobicContact CG-CB 4.17Å; F103-L141 HydrophobicContact CG-CD1 3.57Å; F103-L141 HydrophobicContact CG-CG 4.42Å; P138-L141 HydrophobicContact CG-CD2 3.85Å; L141-S159 WeakPolarHBondContact CA-OG 3.43Å
142	D	89.7	Confident	82.9	Confident	12 Å²	12	43.8 Å²	43.8	6%	0.064	26%	0.262	C	S	.	.			trans	-117.1	148.2	-178.4	-76.4	37.9	0	0	0	108.8	Y94 L95 S96 D97 C140 H157 G158 S159	Y94-D142 HydrophobicContact CE1-CB 3.69Å; Y94-D142 WeakPolarHBondContact CE1-OD2 3.42Å; Y94-D142 VanDerWaalsContact OH-CB 3.28Å; Y94-D142 WeakPolarHBondContact OH-CB 3.48Å; L95-D142 CarbonylContact O-C 3.54Å; L95-D142 WeakPolarHBondContact O-CA 3.41Å; S96-D142 WeakPolarHBondContact CA-OD2 3.4Å; S96-D142 VanDerWaalsContact CB-OD2 3.27Å; S96-D142 WeakPolarHBondContact CB-OD2 3.2Å; S96-D142 PolarHBondContact OG-OD2 3.16Å; D97-D142 PolarHBondContact N-OD1 3.39Å; C140-D142 PolarHBondContact SG-OD1 2.82Å; C140-D142 VanDerWaalsContact SG-OD1 3.33Å; D142-H157 PolarHBondContact O-ND1 2.89Å; D142-G158 WeakPolarHBondContact O-CA 3.37Å; D142-G158 PolarHBondContact O-N 2.84Å; D142-S159 PolarHBondContact N-OG 2.99Å
143	L	90.8	Very high	83.9	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.2	178	-70.5	175.5	0	0	0	110.9	Y94 L95 I98 F103 I106 V145 F155 I166	Y94-L143 WeakPolarHBondContact CA-O 3.41Å; L95-L143 HydrophobicContact CB-CB 4.44Å; L95-L143 PolarHBondContact N-O 3.47Å; L95-L143 PolarHBondContact O-N 3.16Å; I98-L143 HydrophobicContact CD1-CD1 3.56Å; I98-L143 HydrophobicContact CG2-CD1 4.01Å; I98-L143 HydrophobicContact CG2-CG 4.01Å; F103-L143 HydrophobicContact CD2-CD2 3.85Å; F103-L143 HydrophobicContact CD2-CG 4.16Å; F103-L143 HydrophobicContact CE2-CD2 3.57Å; F103-L143 HydrophobicContact CE2-CG 4.29Å; I106-L143 HydrophobicContact CD1-CD1 3.94Å; L143-V145 HydrophobicContact CB-CG2 4.39Å; L143-F155 HydrophobicContact CD1-CD1 4.32Å; L143-I166 HydrophobicContact CD2-CD1 3.54Å; L143-I166 HydrophobicContact CD2-CG1 4.38Å
144	L	91.2	Very high	84.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.9	157.2	171.9	65.8	0	0	0	107.4	F84 Y94 T146 W156 F163 V611 V620 F622	F84-L144 HydrophobicContact CE1-CD2 3.83Å; F84-L144 HydrophobicContact CZ-CD2 4.47Å; Y94-L144 HydrophobicContact CD2-CB 3.9Å; Y94-L144 HydrophobicContact CD2-CD1 4Å; Y94-L144 HydrophobicContact CE2-CB 3.92Å; L144-T146 HydrophobicContact CG-CG2 4.38Å; L144-W156 HydrophobicContact CB-CB 4.31Å; L144-W156 PolarHBondContact N-O 3.29Å; L144-W156 PolarHBondContact O-N 3.16Å; L144-F163 HydrophobicContact CB-CD1 4.27Å; L144-F163 HydrophobicContact CB-CE1 4.3Å; L144-F163 HydrophobicContact CD2-CD1 3.99Å; L144-F163 HydrophobicContact CD2-CE1 4.13Å; L144-V611 HydrophobicContact CD1-CG2 4.46Å; L144-V620 HydrophobicContact CD2-CG1 4.01Å; L144-V620 HydrophobicContact CD2-CG2 4.46Å; L144-F622 HydrophobicContact CD1-CZ 4.17Å; L144-F622 HydrophobicContact CD2-CE1 4.19Å; L144-F622 HydrophobicContact CD2-CZ 4Å
145	V	93.3	Very high	86.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.8	175.4	-172.9	0	0	0	0	108.6	C92 F93 L143 V153 K154 F155 I214 L216	C92-V145 CarbonylContact C-O 3.52Å; C92-V145 WeakPolarHBondContact CA-O 3.48Å; F93-V145 PolarHBondContact N-O 3.42Å; F93-V145 PolarHBondContact O-N 2.83Å; L143-V145 HydrophobicContact CB-CG2 4.39Å; V145-V153 HydrophobicContact CG1-CG1 3.53Å; V145-K154 WeakPolarHBondContact CA-O 3.38Å; V145-F155 HydrophobicContact CG1-CD1 4.44Å; V145-F155 HydrophobicContact CG1-CD2 3.92Å; V145-F155 HydrophobicContact CG1-CE1 4.37Å; V145-F155 HydrophobicContact CG1-CE2 3.84Å; V145-F155 HydrophobicContact CG1-CG 4.22Å; V145-F155 HydrophobicContact CG1-CZ 4.08Å; V145-F155 HydrophobicContact CG2-CD1 3.68Å; V145-F155 HydrophobicContact CG2-CE1 3.88Å; V145-F155 HydrophobicContact CG2-CG 4.04Å; V145-F155 HydrophobicContact CG2-CZ 4.4Å; V145-I214 HydrophobicContact CG1-CD1 4.35Å; V145-I214 HydrophobicContact CG1-CG2 4.29Å; V145-L216 HydrophobicContact CB-CD1 4.19Å; V145-L216 HydrophobicContact CG1-CD1 4.38Å; V145-L216 HydrophobicContact CG2-CD1 3.89Å
146	T	93.3	Very high	88.3	Confident	0 Å²	0	20 Å²	20	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	147.4	-179.9	54.3	0	0	0	0	110.9	V89 A91 L144 H148 V153 K154 W156 F622	V89-T146 HydrophobicContact CG1-CG2 4.06Å; A91-T146 WeakPolarHBondContact O-CA 3.25Å; L144-T146 HydrophobicContact CG-CG2 4.38Å; T146-H148 WeakPolarHBondContact CB-NE2 3.11Å; T146-H148 PolarHBondContact OG1-CE1 3.27Å; T146-H148 PolarHBondContact OG1-NE2 3.36Å; T146-V153 CarbonylContact O-C 3.43Å; T146-V153 VanDerWaalsContact O-CA 3.25Å; T146-V153 WeakPolarHBondContact O-CA 3.5Å; T146-K154 PolarHBondContact N-O 3.42Å; T146-K154 PolarHBondContact O-N 2.95Å; T146-W156 PolarHBondContact OG1-NE1 2.74Å; T146-F622 HydrophobicContact CG2-CE1 4.05Å; T146-F622 HydrophobicContact CG2-CE2 4.26Å; T146-F622 HydrophobicContact CG2-CZ 3.6Å
147	G	93.5	Very high	89.5	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.6	171.4	0	0	0	0	0	109.6	T90 A91 S152 I214	T90-G147 PolarHBondContact N-O 3.15Å; T90-G147 PolarHBondContact OG1-O 2.97Å; A91-G147 PolarHBondContact N-O 2.96Å; A91-G147 PolarHBondContact O-N 2.75Å; G147-S152 WeakPolarHBondContact CA-O 3.19Å; G147-I214 VanDerWaalsContact N-CD1 3.3Å
148	H	92.5	Very high	90.4	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	168.8	-163.7	-59.7	-94.8	0	0	0	113.4	F84 S87 P88 T90 T146 D150 G151 S152 K154 T210 V211	F84-H148 PolarHBondContact O-CE1 2.88Å; S87-H148 PolarHBondContact O-ND1 2.91Å; P88-H148 CarbonylContact O-C 3.5Å; P88-H148 WeakPolarHBondContact O-CA 3.1Å; T90-H148 VanDerWaalsContact OG1-C 3.25Å; T90-H148 WeakPolarHBondContact OG1-CA 3.42Å; T90-H148 PolarHBondContact OG1-O 2.88Å; T146-H148 WeakPolarHBondContact CB-NE2 3.11Å; T146-H148 PolarHBondContact OG1-CE1 3.27Å; T146-H148 PolarHBondContact OG1-NE2 3.36Å; H148-D150 VanDerWaalsContact C-N 3.34Å; H148-D150 WeakPolarHBondContact CB-OD1 3.09Å; H148-D150 PolarHBondContact O-N 3.49Å; H148-G151 PolarHBondContact O-N 2.84Å; H148-S152 WeakPolarHBondContact CB-OG 3.15Å; H148-S152 PolarHBondContact CD2-O 3.41Å; H148-S152 PolarHBondContact CD2-OG 3.3Å; H148-S152 PolarHBondContact N-O 3.17Å; H148-K154 WeakPolarHBondContact NE2-CD 3.45Å; H148-T210 WeakPolarHBondContact O-CA 3.28Å; H148-V211 PolarHBondContact O-N 3.24Å
149	E	92.8	Very high	90.9	Very high	15 Å²	15	13 Å²	13	7%	0.07	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-35.9	-179.4	-158.4	166.3	156.8	0	0	112.7	P88 T90 G151 T210 N487	P88-E149 HydrophobicContact CB-CB 4.12Å; P88-E149 HydrophobicContact CG-CB 4.28Å; P88-E149 PolarHBondContact O-N 3.45Å; T90-E149 HydrophobicContact CG2-CB 4.22Å; E149-G151 PolarHBondContact O-N 3.39Å; E149-G151 VanDerWaalsContact O-N 3.17Å; E149-T210 HydrophobicContact CG-CG2 4.28Å; E149-T210 VanDerWaalsContact CG-OG1 3.31Å; E149-T210 WeakPolarHBondContact CG-OG1 3.39Å; E149-T210 VanDerWaalsContact O-CA 3.23Å; E149-T210 WeakPolarHBondContact O-CA 3.25Å; E149-T210 PolarHBondContact O-N 2.97Å; E149-T210 PolarHBondContact O-OG1 3.01Å; E149-N487 PolarHBondContact OE1-ND2 3.33Å; E149-N487 PolarHBondContact OE2-ND2 2.84Å; E149-N487 VanDerWaalsContact OE2-ND2 3.12Å
150	D	92.1	Very high	91.3	Very high	51 Å²	51	13.2 Å²	13.2	27%	0.273	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	1.8	174.3	68.5	-2.4	0	0	0	115.4	S87 H148 S152 K154 N170	S87-D150 VanDerWaalsContact CB-CG 3.4Å; S87-D150 VanDerWaalsContact CB-OD2 3.29Å; S87-D150 WeakPolarHBondContact CB-OD2 3.25Å; S87-D150 WeakPolarHBondContact OG-CB 3.16Å; S87-D150 PolarHBondContact OG-N 2.78Å; S87-D150 VanDerWaalsContact OG-N 3.14Å; H148-D150 VanDerWaalsContact C-N 3.34Å; H148-D150 WeakPolarHBondContact CB-OD1 3.09Å; H148-D150 PolarHBondContact O-N 3.49Å; D150-S152 VanDerWaalsContact C-N 3.29Å; D150-S152 VanDerWaalsContact CG-OG 3.24Å; D150-S152 PolarHBondContact O-N 3.45Å; D150-S152 WeakPolarHBondContact OD1-CA 3.37Å; D150-S152 WeakPolarHBondContact OD1-CB 3.33Å; D150-S152 PolarHBondContact OD1-N 3.4Å; D150-S152 PolarHBondContact OD1-OG 2.66Å; D150-S152 PolarHBondContact OD2-OG 3.4Å; D150-S152 VanDerWaalsContact OD2-OG 3.07Å; D150-K154 IonicContact OD2-NZ 3.65Å; D150-N170 PolarHBondContact O-ND2 3.01Å; D150-N170 PolarHBondContact O-OD1 3.29Å
151	G	94.5	Very high	91.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	81.3	-0.4	-175.2	0	0	0	0	0	115.2	H148 E149 N170 S171 F209	H148-G151 PolarHBondContact O-N 2.84Å; E149-G151 PolarHBondContact O-N 3.39Å; E149-G151 VanDerWaalsContact O-N 3.17Å; G151-N170 WeakPolarHBondContact CA-OD1 3.43Å; G151-N170 PolarHBondContact O-OD1 3.28Å; G151-S171 WeakPolarHBondContact O-CB 3.38Å; G151-S171 PolarHBondContact O-N 3.09Å; G151-S171 PolarHBondContact O-OG 2.92Å; G151-F209 WeakPolarHBondContact CA-O 3.48Å
152	S	93.9	Very high	90.9	Very high	6 Å²	6	18.2 Å²	18.2	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	153.7	-179.8	72.7	0	0	0	0	113.5	G147 H148 D150 K154 M169 N170	G147-S152 WeakPolarHBondContact CA-O 3.19Å; H148-S152 WeakPolarHBondContact CB-OG 3.15Å; H148-S152 PolarHBondContact CD2-O 3.41Å; H148-S152 PolarHBondContact CD2-OG 3.3Å; H148-S152 PolarHBondContact N-O 3.17Å; D150-S152 VanDerWaalsContact C-N 3.29Å; D150-S152 VanDerWaalsContact CG-OG 3.24Å; D150-S152 PolarHBondContact O-N 3.45Å; D150-S152 WeakPolarHBondContact OD1-CA 3.37Å; D150-S152 WeakPolarHBondContact OD1-CB 3.33Å; D150-S152 PolarHBondContact OD1-N 3.4Å; D150-S152 PolarHBondContact OD1-OG 2.66Å; D150-S152 PolarHBondContact OD2-OG 3.4Å; D150-S152 VanDerWaalsContact OD2-OG 3.07Å; S152-K154 WeakPolarHBondContact OG-CE 3.21Å; S152-K154 PolarHBondContact OG-NZ 3.41Å; S152-M169 CarbonylContact C-O 3.56Å; S152-M169 WeakPolarHBondContact CA-O 3.26Å; S152-N170 PolarHBondContact N-OD1 3.42Å
153	V	96.1	Very high	90.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118	172.4	-175.8	0	0	0	0	108.4	V145 T146 F155 A168 M169 V211 I214 L223 V225	V145-V153 HydrophobicContact CG1-CG1 3.53Å; T146-V153 CarbonylContact O-C 3.43Å; T146-V153 VanDerWaalsContact O-CA 3.25Å; T146-V153 WeakPolarHBondContact O-CA 3.5Å; V153-F155 HydrophobicContact CG1-CD2 4.39Å; V153-F155 HydrophobicContact CG1-CE2 3.88Å; V153-A168 WeakPolarHBondContact O-CA 3.47Å; V153-M169 HydrophobicContact CB-CG 3.94Å; V153-M169 PolarHBondContact N-O 2.97Å; V153-M169 PolarHBondContact O-N 3.41Å; V153-V211 HydrophobicContact CG2-CG2 4.04Å; V153-I214 HydrophobicContact CG1-CD1 3.94Å; V153-I214 HydrophobicContact CG2-CD1 4.42Å; V153-L223 HydrophobicContact CG1-CD2 4.24Å; V153-V225 HydrophobicContact CG2-CG1 4.22Å; V153-V225 HydrophobicContact CG2-CG2 4.16Å
154	K	94.6	Very high	90.8	Very high	27 Å²	27	19 Å²	19	12%	0.117	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.4	-171.9	-61.6	175.7	-172.1	145.4	0	109.9	V145 T146 H148 D150 S152 W156 M165 A168	V145-K154 WeakPolarHBondContact CA-O 3.38Å; T146-K154 PolarHBondContact N-O 3.42Å; T146-K154 PolarHBondContact O-N 2.95Å; H148-K154 WeakPolarHBondContact NE2-CD 3.45Å; D150-K154 IonicContact OD2-NZ 3.65Å; S152-K154 WeakPolarHBondContact OG-CE 3.21Å; S152-K154 PolarHBondContact OG-NZ 3.41Å; K154-W156 HydrophobicContact CB-CZ2 3.77Å; K154-W156 HydrophobicContact CD-CZ2 4.04Å; K154-W156 PolarHBondContact O-NE1 3.1Å; K154-M165 HydrophobicContact CB-SD 3.92Å; K154-M165 HydrophobicContact CD-SD 4.07Å; K154-M165 HydrophobicContact CG-SD 3.95Å; K154-A168 HydrophobicContact CG-CB 4.2Å
155	F	95.1	Very high	90.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.9	-174.4	-74	-121.3	0	0	0	109.6	I106 L143 V145 V153 M165 I166 Y167 L216 L223 F281	I106-F155 HydrophobicContact CD1-CD1 4.42Å; I106-F155 HydrophobicContact CD1-CE1 4.29Å; I106-F155 HydrophobicContact CG2-CD1 4.09Å; L143-F155 HydrophobicContact CD1-CD1 4.32Å; V145-F155 HydrophobicContact CG1-CD1 4.44Å; V145-F155 HydrophobicContact CG1-CD2 3.92Å; V145-F155 HydrophobicContact CG1-CE1 4.37Å; V145-F155 HydrophobicContact CG1-CE2 3.84Å; V145-F155 HydrophobicContact CG1-CG 4.22Å; V145-F155 HydrophobicContact CG1-CZ 4.08Å; V145-F155 HydrophobicContact CG2-CD1 3.68Å; V145-F155 HydrophobicContact CG2-CE1 3.88Å; V145-F155 HydrophobicContact CG2-CG 4.04Å; V145-F155 HydrophobicContact CG2-CZ 4.4Å; V153-F155 HydrophobicContact CG1-CD2 4.39Å; V153-F155 HydrophobicContact CG1-CE2 3.88Å; F155-M165 CarbonylContact O-C 3.51Å; F155-M165 WeakPolarHBondContact O-CA 3.34Å; F155-M165 WeakPolarHBondContact O-CG 3.22Å; F155-I166 HydrophobicContact CB-CG1 4.07Å; F155-I166 PolarHBondContact O-N 3.46Å; F155-Y167 AromaticContact CD2-CD1 3.73Å; F155-Y167 HydrophobicContact CD2-CD1 3.73Å; F155-Y167 AromaticContact CE2-CD1 3.95Å; F155-Y167 HydrophobicContact CE2-CD1 3.95Å; F155-Y167 HydrophobicContact CE2-CE1 4.38Å; F155-Y167 HydrophobicContact CG-CD1 4.28Å; F155-Y167 PolarHBondContact N-O 3.43Å; F155-L216 HydrophobicContact CE1-CD2 3.84Å; F155-L216 HydrophobicContact CZ-CD2 4.21Å; F155-L223 HydrophobicContact CE2-CD2 4.34Å; F155-L223 HydrophobicContact CZ-CD1 4.44Å; F155-L223 HydrophobicContact CZ-CD2 4.21Å; F155-F281 AromaticContact CE1-CE2 3.63Å; F155-F281 HydrophobicContact CE1-CE2 3.63Å; F155-F281 AromaticContact CE1-CZ 3.89Å; F155-F281 HydrophobicContact CE1-CZ 3.89Å; F155-F281 HydrophobicContact CE2-CD2 4.38Å; F155-F281 HydrophobicContact CE2-CE2 4.14Å; F155-F281 AromaticContact CZ-CD2 3.95Å; F155-F281 HydrophobicContact CZ-CD2 3.95Å; F155-F281 AromaticContact CZ-CE2 3.35Å; F155-F281 HydrophobicContact CZ-CE2 3.35Å; F155-F281 AromaticContact CZ-CZ 3.74Å; F155-F281 HydrophobicContact CZ-CZ 3.74Å
156	W	92.6	Very high	90.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.5	-171.8	-42.4	84.2	0	0	0	110.6	Q82 F84 L144 T146 K154 G158 F163 P164 M165	Q82-W156 HydrophobicContact CB-CZ3 4.25Å; Q82-W156 HydrophobicContact CG-CZ3 4.09Å; F84-W156 AromaticContact CD1-CD2 3.94Å; F84-W156 HydrophobicContact CD1-CD2 3.94Å; F84-W156 AromaticContact CD1-CE2 3.59Å; F84-W156 HydrophobicContact CD1-CE3 4.3Å; F84-W156 HydrophobicContact CD1-CG 4.5Å; F84-W156 HydrophobicContact CD1-CH2 4.05Å; F84-W156 AromaticContact CD1-CZ2 3.66Å; F84-W156 HydrophobicContact CD1-CZ2 3.66Å; F84-W156 HydrophobicContact CD1-CZ3 4.35Å; F84-W156 AromaticContact CD1-NE1 3.96Å; F84-W156 HydrophobicContact CD2-CZ3 4.43Å; F84-W156 HydrophobicContact CE1-CB 4.32Å; F84-W156 AromaticContact CE1-CD1 3.84Å; F84-W156 AromaticContact CE1-CD2 3.32Å; F84-W156 HydrophobicContact CE1-CD2 3.32Å; F84-W156 AromaticContact CE1-CE2 3.46Å; F84-W156 VanDerWaalsContact CE1-CE2 3.46Å; F84-W156 AromaticContact CE1-CE3 3.72Å; F84-W156 HydrophobicContact CE1-CE3 3.72Å; F84-W156 AromaticContact CE1-CG 3.6Å; F84-W156 HydrophobicContact CE1-CG 3.6Å; F84-W156 HydrophobicContact CE1-CH2 4.3Å; F84-W156 AromaticContact CE1-CZ2 3.97Å; F84-W156 HydrophobicContact CE1-CZ2 3.97Å; F84-W156 HydrophobicContact CE1-CZ3 4.18Å; F84-W156 AromaticContact CE1-NE1 3.76Å; F84-W156 HydrophobicContact CE2-CE3 4.21Å; F84-W156 HydrophobicContact CE2-CZ3 4.25Å; F84-W156 HydrophobicContact CG-CH2 4.17Å; F84-W156 HydrophobicContact CG-CZ2 4.17Å; F84-W156 HydrophobicContact CG-CZ3 4.47Å; F84-W156 HydrophobicContact CZ-CB 4.45Å; F84-W156 AromaticContact CZ-CD2 3.72Å; F84-W156 HydrophobicContact CZ-CD2 3.72Å; F84-W156 AromaticContact CZ-CE3 3.66Å; F84-W156 HydrophobicContact CZ-CE3 3.66Å; F84-W156 HydrophobicContact CZ-CG 4.09Å; F84-W156 HydrophobicContact CZ-CZ3 4.12Å; L144-W156 HydrophobicContact CB-CB 4.31Å; L144-W156 PolarHBondContact N-O 3.29Å; L144-W156 PolarHBondContact O-N 3.16Å; T146-W156 PolarHBondContact OG1-NE1 2.74Å; K154-W156 HydrophobicContact CB-CZ2 3.77Å; K154-W156 HydrophobicContact CD-CZ2 4.04Å; K154-W156 PolarHBondContact O-NE1 3.1Å; W156-G158 PolarHBondContact O-N 3.34Å; W156-F163 HydrophobicContact CB-CB 4.35Å; W156-P164 WeakPolarHBondContact CA-O 3.46Å; W156-M165 HydrophobicContact CD2-CB 4.3Å; W156-M165 HydrophobicContact CD2-CG 4.4Å; W156-M165 HydrophobicContact CE3-CB 3.63Å; W156-M165 HydrophobicContact CE3-CG 4.18Å; W156-M165 HydrophobicContact CH2-CB 4.44Å; W156-M165 HydrophobicContact CH2-SD 4.33Å; W156-M165 HydrophobicContact CZ3-CB 3.72Å; W156-M165 HydrophobicContact CZ3-CG 4.29Å
157	H	91.8	Very high	90.7	Very high	18 Å²	18	23 Å²	23	8%	0.083	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	97.6	-176.3	-171.3	3.3	0	0	0	111.9	F103 D142 S159 L160 P164 I166	F103-H157 HydrophobicContact CE2-CB 4.48Å; F103-H157 AromaticContact CE2-CE1 3.84Å; F103-H157 AromaticContact CE2-CG 3.93Å; F103-H157 AromaticContact CE2-ND1 3.58Å; F103-H157 HydrophobicContact CZ-CB 4.17Å; F103-H157 AromaticContact CZ-CD2 3.54Å; F103-H157 AromaticContact CZ-CE1 3.65Å; F103-H157 AromaticContact CZ-CG 3.54Å; F103-H157 AromaticContact CZ-ND1 3.59Å; F103-H157 AromaticContact CZ-NE2 3.63Å; D142-H157 PolarHBondContact O-ND1 2.89Å; H157-S159 VanDerWaalsContact C-N 3.33Å; H157-S159 PolarHBondContact O-N 3.23Å; H157-L160 HydrophobicContact CB-CD1 4.49Å; H157-L160 WeakPolarHBondContact CD2-CD1 3.48Å; H157-L160 PolarHBondContact O-N 3.27Å; H157-P164 HydrophobicContact CB-CG 4.12Å; H157-P164 PolarHBondContact N-O 3.03Å; H157-I166 HydrophobicContact CB-CG2 3.98Å
158	G	88.2	Confident	90.7	Very high	4 Å²	4	24.3 Å²	24.3	4%	0.041	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.1	-172.8	0	0	0	0	0	116	Y94 D142 W156 L160	Y94-G158 WeakPolarHBondContact OH-CA 3.19Å; Y94-G158 PolarHBondContact OH-O 3.18Å; D142-G158 WeakPolarHBondContact O-CA 3.37Å; D142-G158 PolarHBondContact O-N 2.84Å; W156-G158 PolarHBondContact O-N 3.34Å; G158-L160 VanDerWaalsContact C-N 3.27Å; G158-L160 PolarHBondContact O-N 2.98Å
159	S	85.8	Confident	90.7	Very high	32 Å²	32	24.7 Å²	24.7	22%	0.224	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.1	177.6	-40.3	0	0	0	0	114.4	C140 L141 D142 H157	C140-S159 PolarHBondContact O-OG 2.85Å; L141-S159 WeakPolarHBondContact CA-OG 3.43Å; D142-S159 PolarHBondContact N-OG 2.99Å; H157-S159 VanDerWaalsContact C-N 3.33Å; H157-S159 PolarHBondContact O-N 3.23Å
160	L	84.6	Confident	90.7	Very high	61 Å²	61	24.6 Å²	24.6	32%	0.319	15%	0.149	S	C	.	.	S	Bend	trans	-108.8	137.4	-176.1	-63.9	-176.6	0	0	0	111.2	P138 H157 G158 A162 F163 P164	P138-L160 HydrophobicContact CG-CD2 4.48Å; H157-L160 HydrophobicContact CB-CD1 4.49Å; H157-L160 WeakPolarHBondContact CD2-CD1 3.48Å; H157-L160 PolarHBondContact O-N 3.27Å; G158-L160 VanDerWaalsContact C-N 3.27Å; G158-L160 PolarHBondContact O-N 2.98Å; L160-A162 PolarHBondContact O-N 3.43Å; L160-F163 PolarHBondContact O-N 2.98Å; L160-P164 HydrophobicContact CD1-CG 4.04Å
161	P	80.1	Confident	90.8	Very high	111 Å²	111	22.4 Å²	22.4	72%	0.721	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29	-179.6	-28.7	35.8	0	0	0	115.2
162	A	83	Confident	90.8	Very high	43 Å²	43	22.4 Å²	22.4	36%	0.355	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-14	-178.4	0	0	0	0	0	114.8	P79 L160	P79-A162 WeakPolarHBondContact O-CB 3.23Å; L160-A162 PolarHBondContact O-N 3.43Å
163	F	87.9	Confident	90.7	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.013	14%	0.142	C	C	.	.			trans	41.1	55.4	-170.1	-67.9	-102.9	0	0	0	114.2	F84 Y94 L144 W156 L160 V495 M497 V620	F84-F163 HydrophobicContact CE2-CB 4.39Å; F84-F163 HydrophobicContact CZ-CB 3.72Å; F84-F163 HydrophobicContact CZ-CG 4.45Å; Y94-F163 HydrophobicContact CE2-CE1 4.42Å; L144-F163 HydrophobicContact CB-CD1 4.27Å; L144-F163 HydrophobicContact CB-CE1 4.3Å; L144-F163 HydrophobicContact CD2-CD1 3.99Å; L144-F163 HydrophobicContact CD2-CE1 4.13Å; W156-F163 HydrophobicContact CB-CB 4.35Å; L160-F163 PolarHBondContact O-N 2.98Å; F163-V495 HydrophobicContact CD2-CB 4.24Å; F163-V495 HydrophobicContact CD2-CG1 4.02Å; F163-V495 HydrophobicContact CD2-CG2 4.29Å; F163-V495 HydrophobicContact CE2-CB 4.06Å; F163-V495 HydrophobicContact CE2-CG1 3.38Å; F163-V495 HydrophobicContact CE2-CG2 4.46Å; F163-V495 HydrophobicContact CZ-CG1 3.77Å; F163-M497 HydrophobicContact CD2-CE 4.14Å; F163-M497 HydrophobicContact CE2-CE 3.29Å; F163-M497 HydrophobicContact CE2-CG 4.41Å; F163-M497 HydrophobicContact CZ-CE 3.65Å; F163-V620 HydrophobicContact CZ-CG2 4.41Å
164	P	89.2	Confident	90.6	Very high	25 Å²	25	23.4 Å²	23.4	16%	0.162	14%	0.142	C	C	.	.			trans	-60.9	141.3	178.9	26.9	-34.6	0	0	0	111.2	W156 H157 L160	W156-P164 WeakPolarHBondContact CA-O 3.46Å; H157-P164 HydrophobicContact CB-CG 4.12Å; H157-P164 PolarHBondContact N-O 3.03Å; L160-P164 HydrophobicContact CD1-CG 4.04Å
165	M	90.7	Very high	90.6	Very high	60 Å²	60	22.3 Å²	22.3	30%	0.296	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132	172.5	-164.2	175.1	68	0	0	109.7	K154 F155 W156 A168	K154-M165 HydrophobicContact CB-SD 3.92Å; K154-M165 HydrophobicContact CD-SD 4.07Å; K154-M165 HydrophobicContact CG-SD 3.95Å; F155-M165 CarbonylContact O-C 3.51Å; F155-M165 WeakPolarHBondContact O-CA 3.34Å; F155-M165 WeakPolarHBondContact O-CG 3.22Å; W156-M165 HydrophobicContact CD2-CB 4.3Å; W156-M165 HydrophobicContact CD2-CG 4.4Å; W156-M165 HydrophobicContact CE3-CB 3.63Å; W156-M165 HydrophobicContact CE3-CG 4.18Å; W156-M165 HydrophobicContact CH2-CB 4.44Å; W156-M165 HydrophobicContact CH2-SD 4.33Å; W156-M165 HydrophobicContact CZ3-CB 3.72Å; W156-M165 HydrophobicContact CZ3-CG 4.29Å; M165-A168 HydrophobicContact CE-CB 4.19Å; M165-A168 HydrophobicContact SD-CB 4.04Å
166	I	92.4	Very high	90.4	Very high	20 Å²	20	26.5 Å²	26.5	10%	0.103	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-19.5	-179.8	66.2	165	0	0	0	113.6	F103 I106 G110 L143 F155 H157	F103-I166 HydrophobicContact CD2-CD1 4.27Å; F103-I166 HydrophobicContact CE1-CD1 4.39Å; F103-I166 HydrophobicContact CE2-CD1 3.74Å; F103-I166 HydrophobicContact CZ-CD1 3.78Å; F103-I166 HydrophobicContact CZ-CG2 4.46Å; I106-I166 HydrophobicContact CB-CD1 4.46Å; I106-I166 HydrophobicContact CG2-CD1 3.79Å; I106-I166 HydrophobicContact CG2-CG1 4.16Å; G110-I166 WeakPolarHBondContact CA-O 3.3Å; L143-I166 HydrophobicContact CD2-CD1 3.54Å; L143-I166 HydrophobicContact CD2-CG1 4.38Å; F155-I166 HydrophobicContact CB-CG1 4.07Å; F155-I166 PolarHBondContact O-N 3.46Å; H157-I166 HydrophobicContact CB-CG2 3.98Å
167	Y	93.8	Very high	90	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	150.4	178.5	178.2	-96.6	0	0	0	110.1	I106 A109 R113 F155 M169 F281	I106-Y167 HydrophobicContact CG2-CG 4.18Å; A109-Y167 HydrophobicContact CB-CD2 3.97Å; A109-Y167 HydrophobicContact CB-CE2 3.95Å; R113-Y167 PolarHBondContact NH1-OH 3.29Å; R113-Y167 VanDerWaalsContact NH1-OH 3.09Å; F155-Y167 AromaticContact CD2-CD1 3.73Å; F155-Y167 HydrophobicContact CD2-CD1 3.73Å; F155-Y167 AromaticContact CE2-CD1 3.95Å; F155-Y167 HydrophobicContact CE2-CD1 3.95Å; F155-Y167 HydrophobicContact CE2-CE1 4.38Å; F155-Y167 HydrophobicContact CG-CD1 4.28Å; F155-Y167 PolarHBondContact N-O 3.43Å; Y167-M169 HydrophobicContact CE1-CB 3.84Å; Y167-M169 HydrophobicContact CE1-CG 3.94Å; Y167-M169 HydrophobicContact CE1-SD 4.34Å; Y167-F281 HydrophobicContact CD1-CD2 4.2Å; Y167-F281 AromaticContact CE1-CD2 3.67Å; Y167-F281 HydrophobicContact CE1-CD2 3.67Å; Y167-F281 HydrophobicContact CE1-CE2 4.43Å; Y167-F281 PolarHBondContact OH-N 3.32Å
168	A	92.3	Very high	89.8	Confident	28 Å²	28	29.7 Å²	29.7	23%	0.231	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.1	169.8	0	0	0	0	0	111	R113 V153 K154 M165	R113-A168 WeakPolarHBondContact CD-O 3.23Å; R113-A168 PolarHBondContact NH1-O 2.77Å; V153-A168 WeakPolarHBondContact O-CA 3.47Å; K154-A168 HydrophobicContact CG-CB 4.2Å; M165-A168 HydrophobicContact CE-CB 4.19Å; M165-A168 HydrophobicContact SD-CB 4.04Å
169	M	93.2	Very high	89.2	Confident	8 Å²	8	35 Å²	35	4%	0.039	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.8	169.4	56.9	174.5	-74	0	0	109.2	S152 V153 Y167 L223 W235 F281	S152-M169 CarbonylContact C-O 3.56Å; S152-M169 WeakPolarHBondContact CA-O 3.26Å; V153-M169 HydrophobicContact CB-CG 3.94Å; V153-M169 PolarHBondContact N-O 2.97Å; V153-M169 PolarHBondContact O-N 3.41Å; Y167-M169 HydrophobicContact CE1-CB 3.84Å; Y167-M169 HydrophobicContact CE1-CG 3.94Å; Y167-M169 HydrophobicContact CE1-SD 4.34Å; M169-L223 HydrophobicContact CE-CD2 4.3Å; M169-L223 HydrophobicContact SD-CD2 3.48Å; M169-L223 WeakPolarHBondContact SD-CD2 3.25Å; M169-W235 HydrophobicContact CE-CD2 3.56Å; M169-W235 HydrophobicContact CE-CE3 3.58Å; M169-W235 HydrophobicContact CE-CG 4.22Å; M169-W235 HydrophobicContact CE-CH2 3.76Å; M169-W235 HydrophobicContact CE-CZ2 3.74Å; M169-W235 HydrophobicContact CE-CZ3 3.66Å; M169-F281 HydrophobicContact SD-CB 3.7Å; M169-F281 HydrophobicContact SD-CG 4.31Å
170	N	93	Very high	88.5	Confident	14 Å²	14	36.3 Å²	36.3	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.3	164.7	-157.5	-35.1	0	0	0	110.1	D150 G151 S152 A172 L173 Y178	D150-N170 PolarHBondContact O-ND2 3.01Å; D150-N170 PolarHBondContact O-OD1 3.29Å; G151-N170 WeakPolarHBondContact CA-OD1 3.43Å; G151-N170 PolarHBondContact O-OD1 3.28Å; S152-N170 PolarHBondContact N-OD1 3.42Å; N170-A172 WeakPolarHBondContact OD1-CB 3.36Å; N170-A172 PolarHBondContact OD1-N 2.8Å; N170-L173 WeakPolarHBondContact O-CD2 3.21Å; N170-L173 VanDerWaalsContact O-CG 3.25Å; N170-L173 WeakPolarHBondContact O-CG 3.43Å; N170-Y178 HydrophobicContact CB-CE2 4.38Å; N170-Y178 WeakPolarHBondContact ND2-CE2 3.42Å
171	S	94.8	Very high	87.5	Confident	5 Å²	5	37.7 Å²	37.7	4%	0.035	23%	0.225	C	C	.	.	S	Bend	trans	-88	-18.8	172.4	67.1	0	0	0	0	112.7	G151 L173	G151-S171 WeakPolarHBondContact O-CB 3.38Å; G151-S171 PolarHBondContact O-N 3.09Å; G151-S171 PolarHBondContact O-OG 2.92Å; S171-L173 PolarHBondContact O-N 3.38Å
172	A	93.5	Very high	86.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25.8	175.7	0	0	0	0	0	113.2	N170 L174 F175 Y178 F209	N170-A172 WeakPolarHBondContact OD1-CB 3.36Å; N170-A172 PolarHBondContact OD1-N 2.8Å; A172-L174 PolarHBondContact O-N 2.95Å; A172-F175 WeakPolarHBondContact O-CB 3.48Å; A172-F175 PolarHBondContact O-N 2.84Å; A172-Y178 HydrophobicContact CB-CD2 3.52Å; A172-Y178 HydrophobicContact CB-CE2 4.22Å; A172-Y178 HydrophobicContact CB-CG 3.78Å; A172-Y178 WeakPolarHBondContact O-CB 3.5Å; A172-F209 HydrophobicContact CB-CB 4.06Å; A172-F209 HydrophobicContact CB-CD1 3.6Å; A172-F209 HydrophobicContact CB-CD2 3.99Å; A172-F209 HydrophobicContact CB-CE1 4Å; A172-F209 HydrophobicContact CB-CE2 4.34Å; A172-F209 HydrophobicContact CB-CG 3.62Å; A172-F209 HydrophobicContact CB-CZ 4.36Å
173	L	92.1	Very high	85	Confident	26 Å²	26	42.3 Å²	42.3	14%	0.136	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.9	-11.3	-179.8	69.1	82	0	0	0	115.3	N170 S171 F175 Y178 R271 V275 F277	N170-L173 WeakPolarHBondContact O-CD2 3.21Å; N170-L173 VanDerWaalsContact O-CG 3.25Å; N170-L173 WeakPolarHBondContact O-CG 3.43Å; S171-L173 PolarHBondContact O-N 3.38Å; L173-F175 VanDerWaalsContact C-N 3.26Å; L173-Y178 HydrophobicContact CB-CD1 3.86Å; L173-Y178 HydrophobicContact CB-CE1 3.77Å; L173-R271 WeakPolarHBondContact O-CD 3.48Å; L173-V275 HydrophobicContact CD1-CG1 3.52Å; L173-F277 HydrophobicContact CD1-CE1 3.99Å
174	L	93.6	Very high	83.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-77.7	-11	172.9	-57.4	179	0	0	0	113.2	A172 W235 V246 R271 F277 L283 L286	A172-L174 PolarHBondContact O-N 2.95Å; L174-W235 HydrophobicContact CD1-CH2 3.91Å; L174-W235 HydrophobicContact CD1-CZ2 3.69Å; L174-W235 HydrophobicContact CD2-CH2 4.08Å; L174-W235 HydrophobicContact CG-CH2 4.03Å; L174-W235 HydrophobicContact CG-CZ2 4.29Å; L174-V246 HydrophobicContact CD2-CG2 3.86Å; L174-R271 PolarHBondContact O-N 3.11Å; L174-F277 HydrophobicContact CD2-CE1 4.13Å; L174-F277 HydrophobicContact CD2-CZ 3.87Å; L174-L283 HydrophobicContact CD1-CD1 4.11Å; L174-L283 HydrophobicContact CD1-CD2 4.02Å; L174-L283 HydrophobicContact CD2-CD2 3.79Å; L174-L286 HydrophobicContact CD1-CD1 4.22Å; L174-L286 HydrophobicContact CD1-CD2 4.3Å
175	F	93.9	Very high	81.7	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.018	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-123.9	157.9	-163.6	-55.8	-74.1	0	0	0	113.2	A172 L173 F209 Q231 L268 K269 L270 R271 L286	A172-F175 WeakPolarHBondContact O-CB 3.48Å; A172-F175 PolarHBondContact O-N 2.84Å; L173-F175 VanDerWaalsContact C-N 3.26Å; F175-F209 HydrophobicContact CB-CE1 3.9Å; F175-F209 HydrophobicContact CD2-CD1 4.43Å; F175-F209 HydrophobicContact CD2-CE1 4.39Å; F175-F209 HydrophobicContact CG-CE1 4.48Å; F175-Q231 HydrophobicContact CE2-CG 4.28Å; F175-Q231 HydrophobicContact CZ-CB 3.99Å; F175-Q231 HydrophobicContact CZ-CG 3.93Å; F175-L268 HydrophobicContact CB-CB 4.35Å; F175-L268 HydrophobicContact CD1-CB 3.39Å; F175-L268 HydrophobicContact CD1-CD1 4.09Å; F175-L268 HydrophobicContact CD1-CG 4.35Å; F175-L268 HydrophobicContact CD2-CB 4.49Å; F175-L268 HydrophobicContact CD2-CD1 3.71Å; F175-L268 HydrophobicContact CE1-CB 3.69Å; F175-L268 HydrophobicContact CE1-CD1 4.15Å; F175-L268 HydrophobicContact CE2-CD1 3.78Å; F175-L268 HydrophobicContact CG-CB 3.83Å; F175-L268 HydrophobicContact CG-CD1 3.87Å; F175-L268 HydrophobicContact CG-CG 4.38Å; F175-L268 HydrophobicContact CZ-CB 4.37Å; F175-L268 HydrophobicContact CZ-CD1 4Å; F175-K269 CarbonylContact C-O 3.58Å; F175-K269 WeakPolarHBondContact CA-O 3.49Å; F175-K269 VanDerWaalsContact CB-O 3.25Å; F175-K269 WeakPolarHBondContact CB-O 3.42Å; F175-K269 WeakPolarHBondContact CD1-O 3.2Å; F175-L270 HydrophobicContact CD1-CD2 3.73Å; F175-L270 HydrophobicContact CD1-CG 4.49Å; F175-L270 HydrophobicContact CE1-CD2 3.54Å; F175-R271 VanDerWaalsContact C-CG 3.48Å; F175-R271 VanDerWaalsContact O-CG 3.25Å; F175-R271 WeakPolarHBondContact O-CG 3.46Å; F175-R271 PolarHBondContact O-NE 2.86Å; F175-L286 HydrophobicContact CZ-CD1 4.39Å
176	E	91.6	Very high	80.3	Confident	88 Å²	88	55.7 Å²	55.7	41%	0.411	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	148	169.3	-59.4	-177.5	169	0	0	110.3	Y178 K269	E176-Y178 VanDerWaalsContact C-N 3.32Å; E176-Y178 PolarHBondContact O-N 2.74Å; E176-K269 HydrophobicContact CB-CB 4.2Å; E176-K269 HydrophobicContact CG-CB 4.01Å; E176-K269 PolarHBondContact N-O 2.82Å; E176-K269 WeakPolarHBondContact OE2-CB 3.45Å; E176-K269 WeakPolarHBondContact OE2-CD 3.2Å; E176-K269 IonicContact OE2-NZ 3.71Å
177	G	85.2	Confident	79.3	Confident	57 Å²	57	59.5 Å²	59.5	59%	0.588	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-22.4	176.6	0	0	0	0	0	115	N179	G177-N179 PolarHBondContact O-N 2.95Å
178	Y	86	Confident	78.3	Confident	31 Å²	31	65.2 Å²	65.2	12%	0.122	37%	0.372	C	S	.	.			trans	-69.8	125.5	163.3	177.1	-103.8	0	0	0	109.4	N170 A172 L173 E176 D180 R271	N170-Y178 HydrophobicContact CB-CE2 4.38Å; N170-Y178 WeakPolarHBondContact ND2-CE2 3.42Å; A172-Y178 HydrophobicContact CB-CD2 3.52Å; A172-Y178 HydrophobicContact CB-CE2 4.22Å; A172-Y178 HydrophobicContact CB-CG 3.78Å; A172-Y178 WeakPolarHBondContact O-CB 3.5Å; L173-Y178 HydrophobicContact CB-CD1 3.86Å; L173-Y178 HydrophobicContact CB-CE1 3.77Å; E176-Y178 VanDerWaalsContact C-N 3.32Å; E176-Y178 PolarHBondContact O-N 2.74Å; Y178-D180 HydrophobicContact CE1-CB 4.31Å; Y178-D180 PolarHBondContact OH-OD2 3.03Å; Y178-R271 PolarHBondContact O-NH2 2.83Å
179	N	77.4	Confident	77.7	Confident	114 Å²	114	71 Å²	71	61%	0.61	40%	0.399	S	S	*	.			trans	-118.2	141.6	166.2	-66.8	-23.1	0	0	0	107.8	G177 L181	G177-N179 PolarHBondContact O-N 2.95Å; N179-L181 PolarHBondContact O-N 3.19Å
180	D	70.5	Confident	77.3	Confident	61 Å²	61	74 Å²	74	33%	0.326	41%	0.413	S	S	.	.			trans	-83.3	115.1	173.1	-158.2	-54.4	0	0	0	108.6	Y178 S182 E183	Y178-D180 HydrophobicContact CE1-CB 4.31Å; Y178-D180 PolarHBondContact OH-OD2 3.03Å; D180-S182 PolarHBondContact O-N 3.05Å; D180-S182 WeakPolarHBondContact OD1-CB 3.39Å; D180-S182 PolarHBondContact OD1-N 3.09Å; D180-S182 VanDerWaalsContact OD1-N 3.16Å; D180-S182 PolarHBondContact OD1-OG 2.91Å; D180-E183 HydrophobicContact CB-CG 4.45Å; D180-E183 PolarHBondContact O-N 3.48Å
181	L	63.8	Low	77	Confident	89 Å²	89	82.1 Å²	82.1	47%	0.466	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-63.4	-12.7	-176.4	-65.6	177.3	0	0	0	113.1	N179 E183 M184	N179-L181 PolarHBondContact O-N 3.19Å; L181-E183 VanDerWaalsContact C-N 3.27Å; L181-E183 PolarHBondContact O-N 3.09Å; L181-M184 HydrophobicContact CD2-SD 4.22Å; L181-M184 PolarHBondContact O-N 3.49Å
182	S	57	Low	76.8	Confident	92 Å²	92	82.4 Å²	82.4	64%	0.643	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-71.5	-16.7	171.2	62.8	0	0	0	0	114.2	D180	D180-S182 PolarHBondContact O-N 3.05Å; D180-S182 WeakPolarHBondContact OD1-CB 3.39Å; D180-S182 PolarHBondContact OD1-N 3.09Å; D180-S182 VanDerWaalsContact OD1-N 3.16Å; D180-S182 PolarHBondContact OD1-OG 2.91Å
183	E	51.9	Low	76.7	Confident	159 Å²	159	84 Å²	84	74%	0.743	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-88.2	-2	176.6	-61.3	-178.3	160.8	0	0	113.3	D180 L181 D185	D180-E183 HydrophobicContact CB-CG 4.45Å; D180-E183 PolarHBondContact O-N 3.48Å; L181-E183 VanDerWaalsContact C-N 3.27Å; L181-E183 PolarHBondContact O-N 3.09Å; E183-D185 PolarHBondContact O-N 3.1Å; E183-D185 VanDerWaalsContact O-N 3.1Å
184	M	54.8	Low	76.6	Confident	147 Å²	147	83.4 Å²	83.4	72%	0.724	45%	0.451	S	S	*	.			trans	-84	77.9	174.2	-67.1	-161.9	71.6	0	0	111	L181 S186	L181-M184 HydrophobicContact CD2-SD 4.22Å; L181-M184 PolarHBondContact O-N 3.49Å; M184-S186 PolarHBondContact O-N 2.87Å
185	D	54	Low	76.4	Confident	160 Å²	160	87 Å²	87	86%	0.856	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-49.3	126.3	170.5	-93.3	-35.3	0	0	0	111	E183 D187	E183-D185 PolarHBondContact O-N 3.1Å; E183-D185 VanDerWaalsContact O-N 3.1Å; D185-D187 PolarHBondContact O-N 2.83Å
186	S	61.3	Low	76.2	Confident	63 Å²	63	92.4 Å²	92.4	44%	0.441	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-67	123.8	171	54.2	0	0	0	0	109.5	M184 P188	M184-S186 PolarHBondContact O-N 2.87Å; S186-P188 WeakPolarHBondContact O-CD 3.49Å; S186-P188 VanDerWaalsContact O-N 3.15Å
187	D	71.6	Confident	76.2	Confident	99 Å²	99	88.8 Å²	88.8	53%	0.529	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-56.2	117	178.3	-177.8	-10.6	0	0	0	109.8	D185 D189 E190	D185-D187 PolarHBondContact O-N 2.83Å; D187-D189 PolarHBondContact O-N 3.38Å; D187-D189 PolarHBondContact OD1-N 3.01Å; D187-E190 HydrophobicContact CB-CB 4.25Å; D187-E190 WeakPolarHBondContact O-CB 3.5Å; D187-E190 PolarHBondContact O-N 3.4Å
188	P	72	Confident	76.3	Confident	125 Å²	125	88 Å²	88	81%	0.812	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.2	-175.2	28.6	-36.2	0	0	0	113.3	S186	S186-P188 WeakPolarHBondContact O-CD 3.49Å; S186-P188 VanDerWaalsContact O-N 3.15Å
189	D	80.2	Confident	76.4	Confident	149 Å²	149	89.8 Å²	89.8	80%	0.797	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	2.8	173.7	-70.5	-41.7	0	0	0	112.7	D187 W191	D187-D189 PolarHBondContact O-N 3.38Å; D187-D189 PolarHBondContact OD1-N 3.01Å; D189-W191 PolarHBondContact O-N 2.9Å
190	E	84.9	Confident	76.9	Confident	72 Å²	72	86.2 Å²	86.2	34%	0.336	46%	0.459	S	S	.	.			trans	-66.8	129.7	177.5	-167.8	176	-168.6	0	0	111.9	D187 P192 P193 F194	D187-E190 HydrophobicContact CB-CB 4.25Å; D187-E190 WeakPolarHBondContact O-CB 3.5Å; D187-E190 PolarHBondContact O-N 3.4Å; E190-P192 CarbonylContact C-O 3.48Å; E190-P192 CarbonylContact O-C 3.45Å; E190-P193 WeakPolarHBondContact O-CA 3.43Å; E190-F194 HydrophobicContact CG-CD2 4.46Å
191	W	86.5	Confident	77.7	Confident	183 Å²	183	84.9 Å²	84.9	69%	0.693	45%	0.452	S	S	*	.	S	Bend	trans	-128.6	123.8	174.2	-177.1	-90.8	0	0	0	112.2	D189 P193	D189-W191 PolarHBondContact O-N 2.9Å; W191-P193 HydrophobicContact CE3-CG 4.43Å; W191-P193 HydrophobicContact CZ3-CG 4.26Å
192	P	89.9	Confident	78.7	Confident	11 Å²	11	83.5 Å²	83.5	7%	0.071	45%	0.448	C	S	.	.	S	Bend	cis	-61.3	153.2	-1.1	-22.8	33.7	0	0	0	114.2	M7 V28 E190 F194	M7-P192 HydrophobicContact SD-CG 4.26Å; V28-P192 HydrophobicContact CG2-CB 3.89Å; E190-P192 CarbonylContact C-O 3.48Å; E190-P192 CarbonylContact O-C 3.45Å; P192-F194 VanDerWaalsContact C-N 3.29Å; P192-F194 HydrophobicContact CB-CE2 4.07Å; P192-F194 HydrophobicContact CB-CZ 4.11Å; P192-F194 HydrophobicContact CG-CE2 4.15Å; P192-F194 HydrophobicContact CG-CZ 4.09Å; P192-F194 WeakPolarHBondContact O-CD2 3.01Å; P192-F194 PolarHBondContact O-N 2.96Å
193	P	91.5	Very high	80	Confident	35 Å²	35	86 Å²	86	23%	0.227	45%	0.448	C	S	.	.			trans	-76.3	80.9	-175.4	31.2	-35.4	0	0	0	110.2	Q26 V28 E190 W191	Q26-P193 HydrophobicContact CG-CG 4.17Å; V28-P193 HydrophobicContact CG2-CG 4.39Å; V28-P193 PolarHBondContact N-O 3.45Å; E190-P193 WeakPolarHBondContact O-CA 3.43Å; W191-P193 HydrophobicContact CE3-CG 4.43Å; W191-P193 HydrophobicContact CZ3-CG 4.26Å
194	F	90.6	Very high	81.1	Confident	12 Å²	12	80.9 Å²	80.9	5%	0.053	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	144.1	-177.6	-70.1	-71.1	0	0	0	111.9	M7 Y12 V17 V28 D30 E190 P192	M7-F194 HydrophobicContact SD-CE1 3.85Å; M7-F194 HydrophobicContact SD-CZ 3.89Å; Y12-F194 AromaticContact CD1-CE2 3.73Å; Y12-F194 HydrophobicContact CD1-CE2 3.73Å; Y12-F194 AromaticContact CD1-CZ 3.56Å; Y12-F194 HydrophobicContact CD1-CZ 3.56Å; Y12-F194 HydrophobicContact CD2-CZ 4.36Å; Y12-F194 HydrophobicContact CE1-CD2 4.46Å; Y12-F194 AromaticContact CE1-CE2 3.4Å; Y12-F194 HydrophobicContact CE1-CE2 3.4Å; Y12-F194 VanDerWaalsContact CE1-CE2 3.4Å; Y12-F194 AromaticContact CE1-CZ 3.76Å; Y12-F194 HydrophobicContact CE1-CZ 3.76Å; Y12-F194 HydrophobicContact CE2-CE2 4.41Å; Y12-F194 HydrophobicContact CG-CE2 4.36Å; Y12-F194 AromaticContact CG-CZ 3.88Å; Y12-F194 HydrophobicContact CG-CZ 3.88Å; Y12-F194 AromaticContact CZ-CE2 3.78Å; V17-F194 HydrophobicContact CG1-CE1 4.2Å; V28-F194 HydrophobicContact CB-CD1 4.01Å; V28-F194 HydrophobicContact CB-CE1 4.35Å; V28-F194 HydrophobicContact CG1-CD1 3.71Å; V28-F194 HydrophobicContact CG1-CE1 3.7Å; V28-F194 CarbonylContact O-C 3.56Å; V28-F194 WeakPolarHBondContact O-CA 3.26Å; D30-F194 HydrophobicContact CB-CD1 4.33Å; E190-F194 HydrophobicContact CG-CD2 4.46Å; P192-F194 VanDerWaalsContact C-N 3.29Å; P192-F194 HydrophobicContact CB-CE2 4.07Å; P192-F194 HydrophobicContact CB-CZ 4.11Å; P192-F194 HydrophobicContact CG-CE2 4.15Å; P192-F194 HydrophobicContact CG-CZ 4.09Å; P192-F194 WeakPolarHBondContact O-CD2 3.01Å; P192-F194 PolarHBondContact O-N 2.96Å
195	R	90.9	Very high	82.2	Confident	77 Å²	77	79.8 Å²	79.8	29%	0.291	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	113.3	162.5	-176.9	-179.7	-74.4	176.3	-4.6	109.1	V27 V28 F29 D30 D72 W73 V197	V27-R195 HydrophobicContact CG1-CB 3.91Å; V28-R195 PolarHBondContact O-N 3.15Å; F29-R195 WeakPolarHBondContact CA-O 3.32Å; F29-R195 HydrophobicContact CD1-CB 4.46Å; D30-R195 PolarHBondContact N-O 3.05Å; D72-R195 PolarHBondContact O-NH1 3.39Å; W73-R195 PolarHBondContact O-NH1 3.46Å; R195-V197 HydrophobicContact CG-CG1 4.13Å; R195-V197 PolarHBondContact O-N 3Å
196	K	89.7	Confident	84	Confident	117 Å²	117	73.9 Å²	73.9	51%	0.509	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.7	168.9	-169.2	-178.1	-179.1	-172.5	0	108.4	D30 D201	D30-K196 WeakPolarHBondContact O-CA 3.47Å; K196-D201 IonicContact NZ-OD2 2.84Å
197	V	89.8	Confident	85.5	Confident	12 Å²	12	73 Å²	73	7%	0.073	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	165.6	177.9	-74.6	0	0	0	0	110.3	F29 D30 F31 R195	F29-V197 HydrophobicContact CB-CG2 3.8Å; F29-V197 HydrophobicContact CD1-CB 4.48Å; F29-V197 HydrophobicContact CD1-CG1 3.66Å; F29-V197 HydrophobicContact CD1-CG2 3.99Å; F29-V197 HydrophobicContact CE1-CG1 4.14Å; F29-V197 HydrophobicContact CG-CG2 4.29Å; D30-V197 PolarHBondContact O-N 3.38Å; F31-V197 HydrophobicContact CD1-CG2 3.82Å; F31-V197 HydrophobicContact CE1-CB 4.47Å; F31-V197 HydrophobicContact CE1-CG2 3.39Å; F31-V197 HydrophobicContact CE2-CG2 4.22Å; F31-V197 HydrophobicContact CG-CG2 4.41Å; F31-V197 HydrophobicContact CZ-CG2 3.6Å; R195-V197 HydrophobicContact CG-CG1 4.13Å; R195-V197 PolarHBondContact O-N 3Å
198	G	88.2	Confident	86.7	Confident	41 Å²	41	71.1 Å²	71.1	42%	0.423	38%	0.377	S	S	.	.	S	Bend	trans	90.3	-169.4	-167.1	0	0	0	0	0	112	E62	E62-G198 VanDerWaalsContact OE1-CA 3.25Å; E62-G198 WeakPolarHBondContact OE1-CA 3.34Å
199	S	87	Confident	87.8	Confident	68 Å²	68	65.4 Å²	65.4	48%	0.476	34%	0.339	S	S	.	.	S	Bend	trans	-143.5	-11.5	-170.3	63.5	0	0	0	0	113.4	E62 P83 A86	E62-S199 PolarHBondContact OE1-N 2.79Å; E62-S199 WeakPolarHBondContact OE2-CA 3.19Å; E62-S199 PolarHBondContact OE2-N 2.88Å; E62-S199 PolarHBondContact OE2-OG 2.96Å; P83-S199 VanDerWaalsContact CG-OG 3.25Å; P83-S199 WeakPolarHBondContact CG-OG 3.42Å; A86-S199 WeakPolarHBondContact CB-O 3.44Å
200	Y	89.1	Confident	88.6	Confident	39 Å²	39	58.5 Å²	58.5	15%	0.153	30%	0.303	C	S	.	.			trans	-73.7	126.8	175.5	173.8	-105.3	0	0	0	110.8	T32 E61 E62 P202	T32-Y200 VanDerWaalsContact CB-O 3.3Å; T32-Y200 WeakPolarHBondContact CB-O 3.34Å; T32-Y200 WeakPolarHBondContact CG2-O 3.41Å; T32-Y200 PolarHBondContact OG1-O 3.01Å; E61-Y200 HydrophobicContact CB-CD1 3.73Å; E61-Y200 HydrophobicContact CB-CD2 3.79Å; E61-Y200 HydrophobicContact CB-CE1 3.9Å; E61-Y200 HydrophobicContact CB-CE2 3.96Å; E61-Y200 HydrophobicContact CB-CG 3.68Å; E61-Y200 HydrophobicContact CG-CD1 4.07Å; E61-Y200 HydrophobicContact CG-CD2 4.32Å; E61-Y200 HydrophobicContact CG-CE1 3.7Å; E61-Y200 HydrophobicContact CG-CE2 3.97Å; E61-Y200 HydrophobicContact CG-CG 4.38Å; E62-Y200 WeakPolarHBondContact OE1-CB 3.37Å; E62-Y200 PolarHBondContact OE1-N 2.91Å; E62-Y200 PolarHBondContact OE2-N 2.96Å; Y200-P202 HydrophobicContact CE1-CB 3.74Å; Y200-P202 HydrophobicContact CE1-CG 4.12Å
201	D	87.1	Confident	89.2	Confident	33 Å²	33	55.1 Å²	55.1	18%	0.176	29%	0.287	C	S	.	.			trans	-114.9	114.3	170	-151.1	-38.2	0	0	0	110.6	A86 K196 F203	A86-D201 PolarHBondContact O-N 2.91Å; K196-D201 IonicContact NZ-OD2 2.84Å; D201-F203 PolarHBondContact O-N 3.17Å; D201-F203 WeakPolarHBondContact OD1-CB 3.43Å; D201-F203 VanDerWaalsContact OD1-CD2 3.27Å; D201-F203 WeakPolarHBondContact OD1-CD2 3.33Å; D201-F203 PolarHBondContact OD1-N 2.86Å
202	P	84.9	Confident	89.6	Confident	59 Å²	59	47.7 Å²	47.7	38%	0.383	26%	0.26	S	S	.	.	S	Bend	trans	-75.4	-7	173.6	30.7	-34.3	0	0	0	112.9	Y200	Y200-P202 HydrophobicContact CE1-CB 3.74Å; Y200-P202 HydrophobicContact CE1-CG 4.12Å
203	F	83.8	Confident	89.8	Confident	146 Å²	146	48.3 Å²	48.3	64%	0.64	26%	0.261	S	S	*	.			trans	-98.8	169.7	179.9	-51.7	-65.4	0	0	0	111.7	D201	D201-F203 PolarHBondContact O-N 3.17Å; D201-F203 WeakPolarHBondContact OD1-CB 3.43Å; D201-F203 VanDerWaalsContact OD1-CD2 3.27Å; D201-F203 WeakPolarHBondContact OD1-CD2 3.33Å; D201-F203 PolarHBondContact OD1-N 2.86Å
204	S	75.1	Confident	89.9	Confident	50 Å²	50	47 Å²	47	35%	0.35	25%	0.252	S	S	.	.			trans	-148.6	109	171.9	-74.6	0	0	0	0	108.5	D206	S204-D206 PolarHBondContact O-N 3.12Å
205	D	78.8	Confident	90	Very high	124 Å²	124	46.7 Å²	46.7	66%	0.663	25%	0.251	S	S	*	.	S	Bend	trans	-59.7	-45.1	-171.5	-62.5	-43.5	0	0	0	112.7
206	D	92.2	Very high	89.9	Confident	36 Å²	36	43.2 Å²	43.2	19%	0.193	24%	0.238	C	C	.	.			trans	-154.2	108.2	179.5	-167.2	-18.6	0	0	0	111.4	S204 R208 F209	S204-D206 PolarHBondContact O-N 3.12Å; D206-R208 PolarHBondContact O-N 3.14Å; D206-R208 WeakPolarHBondContact OD1-CB 3.43Å; D206-R208 WeakPolarHBondContact OD1-CG 3.37Å; D206-R208 PolarHBondContact OD1-N 3.15Å; D206-R208 IonicContact OD1-NE 3.55Å; D206-R208 PolarHBondContact OD1-NE 2.54Å; D206-R208 VanDerWaalsContact OD1-NE 3.11Å; D206-R208 IonicContact OD2-CZ 3.73Å; D206-R208 IonicContact OD2-NE 2.7Å; D206-R208 PolarHBondContact OD2-NE 3.29Å; D206-R208 IonicContact OD2-NH2 3.58Å; D206-R208 PolarHBondContact OD2-NH2 2.78Å; D206-F209 HydrophobicContact CB-CD2 3.84Å; D206-F209 HydrophobicContact CB-CE2 3.75Å; D206-F209 HydrophobicContact CB-CZ 4.36Å; D206-F209 PolarHBondContact O-N 3.17Å
207	A	92.5	Very high	89.8	Confident	45 Å²	45	38.1 Å²	38.1	37%	0.372	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	1	176.1	0	0	0	0	0	114.4	T210 A228	A207-T210 PolarHBondContact O-OG1 2.84Å; A207-T210 VanDerWaalsContact O-OG1 3.1Å; A207-A228 VanDerWaalsContact O-CB 3.25Å; A207-A228 WeakPolarHBondContact O-CB 3.49Å
208	R	95.8	Very high	89.4	Confident	59 Å²	59	40.4 Å²	40.4	22%	0.223	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-26.8	166.5	-66.2	-175.8	-65.3	168.6	4	113.4	D206 T210 A229 Q231 H265 D266 R267 L268	D206-R208 PolarHBondContact O-N 3.14Å; D206-R208 WeakPolarHBondContact OD1-CB 3.43Å; D206-R208 WeakPolarHBondContact OD1-CG 3.37Å; D206-R208 PolarHBondContact OD1-N 3.15Å; D206-R208 IonicContact OD1-NE 3.55Å; D206-R208 PolarHBondContact OD1-NE 2.54Å; D206-R208 VanDerWaalsContact OD1-NE 3.11Å; D206-R208 IonicContact OD2-CZ 3.73Å; D206-R208 IonicContact OD2-NE 2.7Å; D206-R208 PolarHBondContact OD2-NE 3.29Å; D206-R208 IonicContact OD2-NH2 3.58Å; D206-R208 PolarHBondContact OD2-NH2 2.78Å; R208-T210 VanDerWaalsContact C-N 3.29Å; R208-A229 HydrophobicContact CB-CB 3.77Å; R208-A229 HydrophobicContact CG-CB 3.97Å; R208-Q231 PolarHBondContact O-NE2 3.24Å; R208-H265 HydrophobicContact CG-CB 3.92Å; R208-D266 WeakPolarHBondContact CD-O 3.35Å; R208-D266 PolarHBondContact NH1-O 3.48Å; R208-R267 PolarHBondContact NH1-O 2.93Å; R208-L268 HydrophobicContact CB-CD1 4.47Å; R208-L268 HydrophobicContact CB-CD2 3.64Å; R208-L268 HydrophobicContact CB-CG 4.01Å
209	F	95.6	Very high	89.3	Confident	5 Å²	5	42 Å²	42	2%	0.022	23%	0.229	C	C	.	.	S	Bend	trans	-68.4	-30.8	177.4	-65.1	-42.3	0	0	0	112.5	G151 A172 F175 D206 V211 L268	G151-F209 WeakPolarHBondContact CA-O 3.48Å; A172-F209 HydrophobicContact CB-CB 4.06Å; A172-F209 HydrophobicContact CB-CD1 3.6Å; A172-F209 HydrophobicContact CB-CD2 3.99Å; A172-F209 HydrophobicContact CB-CE1 4Å; A172-F209 HydrophobicContact CB-CE2 4.34Å; A172-F209 HydrophobicContact CB-CG 3.62Å; A172-F209 HydrophobicContact CB-CZ 4.36Å; F175-F209 HydrophobicContact CB-CE1 3.9Å; F175-F209 HydrophobicContact CD2-CD1 4.43Å; F175-F209 HydrophobicContact CD2-CE1 4.39Å; F175-F209 HydrophobicContact CG-CE1 4.48Å; D206-F209 HydrophobicContact CB-CD2 3.84Å; D206-F209 HydrophobicContact CB-CE2 3.75Å; D206-F209 HydrophobicContact CB-CZ 4.36Å; D206-F209 PolarHBondContact O-N 3.17Å; F209-V211 PolarHBondContact O-N 3.1Å; F209-L268 HydrophobicContact CD1-CD1 3.67Å; F209-L268 HydrophobicContact CD1-CD2 3.83Å; F209-L268 HydrophobicContact CD1-CG 4.43Å; F209-L268 HydrophobicContact CE1-CD1 4.05Å; F209-L268 HydrophobicContact CE1-CD2 3.59Å; F209-L268 HydrophobicContact CE1-CG 4.46Å; F209-L268 HydrophobicContact CZ-CD2 4.43Å
210	T	96.5	Very high	89.4	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.031	21%	0.206	C	C	.	.			trans	-39.3	125.1	-174.3	-55.1	0	0	0	0	115	T90 H148 E149 A207 R208 H212 G227 A228	T90-T210 HydrophobicContact CG2-CG2 3.71Å; H148-T210 WeakPolarHBondContact O-CA 3.28Å; E149-T210 HydrophobicContact CG-CG2 4.28Å; E149-T210 VanDerWaalsContact CG-OG1 3.31Å; E149-T210 WeakPolarHBondContact CG-OG1 3.39Å; E149-T210 VanDerWaalsContact O-CA 3.23Å; E149-T210 WeakPolarHBondContact O-CA 3.25Å; E149-T210 PolarHBondContact O-N 2.97Å; E149-T210 PolarHBondContact O-OG1 3.01Å; A207-T210 PolarHBondContact O-OG1 2.84Å; A207-T210 VanDerWaalsContact O-OG1 3.1Å; R208-T210 VanDerWaalsContact C-N 3.29Å; T210-H212 PolarHBondContact O-N 3.27Å; T210-G227 CarbonylContact O-C 3.34Å; T210-G227 VanDerWaalsContact O-CA 3.23Å; T210-G227 WeakPolarHBondContact O-CA 3.5Å; T210-A228 PolarHBondContact O-N 3.48Å
211	V	96.9	Very high	89.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	117	177.9	179.7	0	0	0	0	109.8	T90 A91 H148 V153 F209 I214 V225	T90-V211 CarbonylContact C-O 3.53Å; T90-V211 WeakPolarHBondContact CB-O 3.42Å; T90-V211 PolarHBondContact OG1-O 3.05Å; A91-V211 HydrophobicContact CB-CG1 4.03Å; A91-V211 WeakPolarHBondContact CB-O 3.41Å; H148-V211 PolarHBondContact O-N 3.24Å; V153-V211 HydrophobicContact CG2-CG2 4.04Å; F209-V211 PolarHBondContact O-N 3.1Å; V211-I214 HydrophobicContact CG1-CD1 4Å; V211-I214 HydrophobicContact CG1-CG1 3.72Å; V211-V225 HydrophobicContact CB-CG1 4.34Å; V211-V225 HydrophobicContact CG1-CG1 3.66Å; V211-V225 HydrophobicContact CG2-CG1 3.83Å
212	H	95.2	Very high	90	Very high	28 Å²	28	42.4 Å²	42.4	13%	0.13	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-32.7	176.7	-75.1	155.2	0	0	0	113.6	A91 T210 G226 S294 Q483	A91-H212 WeakPolarHBondContact CB-O 3.48Å; T210-H212 PolarHBondContact O-N 3.27Å; H212-G226 PolarHBondContact N-O 3.44Å; H212-S294 PolarHBondContact CE1-OG 3.15Å; H212-S294 PolarHBondContact ND1-OG 3.12Å; H212-Q483 PolarHBondContact CD2-NE2 3.46Å
213	R	94	Very high	90.6	Very high	24 Å²	24	39.6 Å²	39.6	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.2	179.1	-63.6	-65.7	175.6	-79.9	-8.6	111.1	V225 G226 I295 T296 A298 F481 Q483	R213-V225 WeakPolarHBondContact O-CA 3.26Å; R213-G226 PolarHBondContact N-O 2.88Å; R213-G226 PolarHBondContact O-N 2.83Å; R213-I295 HydrophobicContact CG-CG2 4.29Å; R213-I295 VanDerWaalsContact CG-O 3.29Å; R213-I295 WeakPolarHBondContact CG-O 3.21Å; R213-T296 VanDerWaalsContact CZ-O 3.24Å; R213-T296 PolarHBondContact NE-O 2.82Å; R213-T296 PolarHBondContact NH2-O 2.87Å; R213-A298 HydrophobicContact CB-CB 3.89Å; R213-A298 HydrophobicContact CG-CB 4.42Å; R213-F481 PolarHBondContact NH2-O 3.06Å; R213-Q483 VanDerWaalsContact CZ-OE1 3.32Å
214	I	94	Very high	91.2	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.5	171.6	-70.1	168.7	0	0	0	107.1	A91 F93 V145 G147 V153 V211 L216 L223 L224	A91-I214 HydrophobicContact CB-CD1 4.12Å; A91-I214 HydrophobicContact CB-CG1 4.28Å; F93-I214 HydrophobicContact CB-CB 4.09Å; F93-I214 HydrophobicContact CB-CG2 3.58Å; F93-I214 VanDerWaalsContact CD2-O 3.28Å; F93-I214 WeakPolarHBondContact CD2-O 3.38Å; F93-I214 HydrophobicContact CG-CG2 4.16Å; V145-I214 HydrophobicContact CG1-CD1 4.35Å; V145-I214 HydrophobicContact CG1-CG2 4.29Å; G147-I214 VanDerWaalsContact N-CD1 3.3Å; V153-I214 HydrophobicContact CG1-CD1 3.94Å; V153-I214 HydrophobicContact CG2-CD1 4.42Å; V211-I214 HydrophobicContact CG1-CD1 4Å; V211-I214 HydrophobicContact CG1-CG1 3.72Å; I214-L216 HydrophobicContact CG2-CD1 3.86Å; I214-L223 HydrophobicContact CG2-CD1 3.78Å; I214-L224 WeakPolarHBondContact CA-O 3.47Å
215	C	92.1	Very high	92.3	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.2	162.7	-57.5	0	0	0	0	108.5	F93 L224 A298 V300	F93-C215 HydrophobicContact CE2-CB 4.34Å; C215-L224 HydrophobicContact CB-CB 4.28Å; C215-L224 PolarHBondContact N-O 3.05Å; C215-L224 PolarHBondContact O-N 2.85Å; C215-A298 PolarHBondContact SG-O 3.48Å; C215-V300 HydrophobicContact CB-CG1 4.1Å
216	L	90.4	Very high	93.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	158.4	162	-68.8	94	0	0	0	110.5	F93 V145 F155 I214 W222 L223	F93-L216 HydrophobicContact CD1-CB 4.34Å; F93-L216 HydrophobicContact CD1-CD1 3.47Å; F93-L216 VanDerWaalsContact CD1-CD1 3.47Å; F93-L216 HydrophobicContact CE1-CB 3.79Å; F93-L216 HydrophobicContact CE1-CD1 3.84Å; F93-L216 HydrophobicContact CE1-CG 4.45Å; F93-L216 HydrophobicContact CG-CD1 4.13Å; F93-L216 HydrophobicContact CZ-CB 4.29Å; F93-L216 VanDerWaalsContact CZ-N 3.35Å; V145-L216 HydrophobicContact CB-CD1 4.19Å; V145-L216 HydrophobicContact CG1-CD1 4.38Å; V145-L216 HydrophobicContact CG2-CD1 3.89Å; F155-L216 HydrophobicContact CE1-CD2 3.84Å; F155-L216 HydrophobicContact CZ-CD2 4.21Å; I214-L216 HydrophobicContact CG2-CD1 3.86Å; L216-W222 VanDerWaalsContact CA-O 3.25Å; L216-W222 WeakPolarHBondContact CA-O 3.26Å; L216-L223 HydrophobicContact CD1-CD1 3.86Å; L216-L223 HydrophobicContact CD2-CD1 4.45Å; L216-L223 HydrophobicContact CG-CD1 3.88Å
217	D	88	Confident	93.5	Very high	11 Å²	11	22.9 Å²	22.9	6%	0.059	11%	0.114	C	C	.	.			trans	-73.5	168.1	165.1	73.1	-37	0	0	0	111.4	E219 G220 R221 W222 T302	D217-E219 PolarHBondContact O-N 3.37Å; D217-G220 PolarHBondContact O-N 3.11Å; D217-G220 VanDerWaalsContact O-N 3.08Å; D217-G220 WeakPolarHBondContact OD1-CA 3.42Å; D217-G220 PolarHBondContact OD1-N 2.83Å; D217-G220 VanDerWaalsContact OD1-N 3.13Å; D217-R221 PolarHBondContact OD1-N 3.48Å; D217-W222 HydrophobicContact CB-CB 4.24Å; D217-W222 PolarHBondContact N-O 2.85Å; D217-W222 PolarHBondContact OD1-N 2.98Å; D217-T302 HydrophobicContact CB-CG2 3.83Å
218	S	80.1	Confident	93.7	Very high	59 Å²	59	21.7 Å²	21.7	41%	0.413	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.6	179.7	57.3	0	0	0	0	113.1	G220	S218-G220 VanDerWaalsContact C-N 3.31Å
219	E	86.7	Confident	93.7	Very high	74 Å²	74	18.9 Å²	18.9	35%	0.346	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.2	-179.1	-52.1	-53.3	108.6	0	0	113	T102 D217 R221	T102-E219 VanDerWaalsContact CB-O 3.28Å; T102-E219 WeakPolarHBondContact CB-O 3.45Å; T102-E219 VanDerWaalsContact CG2-O 3.25Å; T102-E219 WeakPolarHBondContact CG2-O 3.18Å; T102-E219 PolarHBondContact OG1-O 3.44Å; D217-E219 PolarHBondContact O-N 3.37Å; E219-R221 HydrophobicContact CB-CB 4.47Å; E219-R221 HydrophobicContact CB-CG 3.88Å; E219-R221 PolarHBondContact O-N 2.87Å
220	G	89.6	Confident	93.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	65.6	20.7	-173.8	0	0	0	0	0	114.7	T102 D217 S218	T102-G220 WeakPolarHBondContact CG2-O 3.36Å; D217-G220 PolarHBondContact O-N 3.11Å; D217-G220 VanDerWaalsContact O-N 3.08Å; D217-G220 WeakPolarHBondContact OD1-CA 3.42Å; D217-G220 PolarHBondContact OD1-N 2.83Å; D217-G220 VanDerWaalsContact OD1-N 3.13Å; S218-G220 VanDerWaalsContact C-N 3.31Å
221	R	93.6	Very high	93.9	Very high	103 Å²	103	18.7 Å²	18.7	39%	0.389	9%	0.092	S	C	.	.			trans	-92.1	-25	-178.1	-64.4	-177.9	-60.5	160.6	-0.8	112.7	T102 D217 E219 E236 L237	T102-R221 HydrophobicContact CG2-CG 3.8Å; D217-R221 PolarHBondContact OD1-N 3.48Å; E219-R221 HydrophobicContact CB-CB 4.47Å; E219-R221 HydrophobicContact CB-CG 3.88Å; E219-R221 PolarHBondContact O-N 2.87Å; R221-E236 WeakPolarHBondContact O-CA 3.41Å; R221-L237 WeakPolarHBondContact O-CB 3.13Å; R221-L237 PolarHBondContact O-N 2.81Å
222	W	94.2	Very high	93.9	Very high	47 Å²	47	18.7 Å²	18.7	18%	0.178	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.1	-178.2	-67.5	84.4	0	0	0	110.5	L216 D217 L234 W235 E236 V284 T302	L216-W222 VanDerWaalsContact CA-O 3.25Å; L216-W222 WeakPolarHBondContact CA-O 3.26Å; D217-W222 HydrophobicContact CB-CB 4.24Å; D217-W222 PolarHBondContact N-O 2.85Å; D217-W222 PolarHBondContact OD1-N 2.98Å; W222-L234 HydrophobicContact CE3-CD1 3.91Å; W222-L234 HydrophobicContact CE3-CD2 3.96Å; W222-L234 HydrophobicContact CE3-CG 3.84Å; W222-L234 HydrophobicContact CZ3-CD2 3.87Å; W222-L234 HydrophobicContact CZ3-CG 4.04Å; W222-W235 WeakPolarHBondContact CA-O 3.45Å; W222-E236 HydrophobicContact CD2-CB 4.29Å; W222-E236 HydrophobicContact CD2-CG 4.44Å; W222-E236 HydrophobicContact CE3-CB 4.02Å; W222-E236 HydrophobicContact CH2-CB 4.05Å; W222-E236 HydrophobicContact CH2-CG 4.13Å; W222-E236 HydrophobicContact CZ2-CB 4.31Å; W222-E236 HydrophobicContact CZ2-CG 3.95Å; W222-E236 WeakPolarHBondContact CZ2-OE1 3.29Å; W222-E236 HydrophobicContact CZ3-CB 3.91Å; W222-E236 HydrophobicContact CZ3-CG 4.45Å; W222-V284 HydrophobicContact CH2-CG1 4.23Å; W222-V284 HydrophobicContact CH2-CG2 4.18Å; W222-V284 HydrophobicContact CZ3-CB 4.04Å; W222-V284 HydrophobicContact CZ3-CG1 3.99Å; W222-V284 HydrophobicContact CZ3-CG2 3.79Å; W222-T302 HydrophobicContact CB-CG2 3.62Å; W222-T302 VanDerWaalsContact CD1-CG2 3.46Å; W222-T302 HydrophobicContact CD2-CG2 3.94Å; W222-T302 HydrophobicContact CG-CG2 3.38Å
223	L	96.5	Very high	94	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.5	-179	173.2	72.8	0	0	0	109.1	V153 F155 M169 I214 L216 V225 W235 F281	V153-L223 HydrophobicContact CG1-CD2 4.24Å; F155-L223 HydrophobicContact CE2-CD2 4.34Å; F155-L223 HydrophobicContact CZ-CD1 4.44Å; F155-L223 HydrophobicContact CZ-CD2 4.21Å; M169-L223 HydrophobicContact CE-CD2 4.3Å; M169-L223 HydrophobicContact SD-CD2 3.48Å; M169-L223 WeakPolarHBondContact SD-CD2 3.25Å; I214-L223 HydrophobicContact CG2-CD1 3.78Å; L216-L223 HydrophobicContact CD1-CD1 3.86Å; L216-L223 HydrophobicContact CD2-CD1 4.45Å; L216-L223 HydrophobicContact CG-CD1 3.88Å; L223-V225 HydrophobicContact CD1-CG2 4.31Å; L223-V225 HydrophobicContact CD2-CG2 3.85Å; L223-V225 HydrophobicContact CG-CG2 3.76Å; L223-W235 HydrophobicContact CB-CB 4.31Å; L223-W235 PolarHBondContact N-O 2.85Å; L223-W235 PolarHBondContact O-N 2.7Å; L223-F281 HydrophobicContact CB-CD1 3.7Å; L223-F281 HydrophobicContact CB-CE1 3.7Å; L223-F281 HydrophobicContact CD2-CD1 4.34Å; L223-F281 HydrophobicContact CD2-CG 4.35Å
224	L	97.1	Very high	94.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.8	171.7	-177.2	64.5	0	0	0	109.5	I214 C215 V232 L234 A298 A299 V300 I307	I214-L224 WeakPolarHBondContact CA-O 3.47Å; C215-L224 HydrophobicContact CB-CB 4.28Å; C215-L224 PolarHBondContact N-O 3.05Å; C215-L224 PolarHBondContact O-N 2.85Å; L224-V232 HydrophobicContact CD1-CG1 3.57Å; L224-V232 HydrophobicContact CG-CG1 4.41Å; L224-L234 HydrophobicContact CB-CD1 4.33Å; L224-L234 HydrophobicContact CD1-CB 4.26Å; L224-L234 HydrophobicContact CD1-CD1 4.35Å; L224-A298 HydrophobicContact CD2-CB 3.96Å; L224-A299 VanDerWaalsContact CD2-O 3.3Å; L224-A299 WeakPolarHBondContact CD2-O 3.36Å; L224-V300 HydrophobicContact CB-CB 4.24Å; L224-V300 HydrophobicContact CB-CG1 4.29Å; L224-V300 HydrophobicContact CD2-CB 4.06Å; L224-I307 HydrophobicContact CD1-CB 4.26Å; L224-I307 HydrophobicContact CD1-CD1 4.21Å; L224-I307 HydrophobicContact CD1-CG2 3.84Å; L224-I307 HydrophobicContact CD2-CB 4.21Å; L224-I307 HydrophobicContact CD2-CG2 4.13Å
225	V	98.2	Very high	94.3	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.012	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.4	-179.3	-171.1	0	0	0	0	109.6	V153 V211 R213 L223 V232 S233	V153-V225 HydrophobicContact CG2-CG1 4.22Å; V153-V225 HydrophobicContact CG2-CG2 4.16Å; V211-V225 HydrophobicContact CB-CG1 4.34Å; V211-V225 HydrophobicContact CG1-CG1 3.66Å; V211-V225 HydrophobicContact CG2-CG1 3.83Å; R213-V225 WeakPolarHBondContact O-CA 3.26Å; L223-V225 HydrophobicContact CD1-CG2 4.31Å; L223-V225 HydrophobicContact CD2-CG2 3.85Å; L223-V225 HydrophobicContact CG-CG2 3.76Å; V225-V232 CarbonylContact O-C 3.37Å; V225-V232 WeakPolarHBondContact O-CA 3.44Å; V225-S233 PolarHBondContact N-O 2.9Å; V225-S233 PolarHBondContact O-N 2.83Å; V225-S233 PolarHBondContact O-OG 3.34Å
226	G	98.2	Very high	94.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.6	175.1	0	0	0	0	0	111.6	H212 R213	H212-G226 PolarHBondContact N-O 3.44Å; R213-G226 PolarHBondContact N-O 2.88Å; R213-G226 PolarHBondContact O-N 2.83Å
227	G	97.4	Very high	94.7	Very high	3 Å²	3	18.8 Å²	18.8	3%	0.031	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-174.2	-171.5	0	0	0	0	0	116.1	T210 Q231 I295	T210-G227 CarbonylContact O-C 3.34Å; T210-G227 VanDerWaalsContact O-CA 3.23Å; T210-G227 WeakPolarHBondContact O-CA 3.5Å; G227-Q231 PolarHBondContact N-O 2.86Å; G227-I295 WeakPolarHBondContact O-CG1 3.48Å; G227-I295 PolarHBondContact O-N 3.4Å; G227-I295 VanDerWaalsContact O-N 3.11Å
228	A	97	Very high	95	Very high	19 Å²	19	20.7 Å²	20.7	16%	0.157	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-32.1	-176.6	0	0	0	0	0	115.1	A207 T210 G230 A293 S294	A207-A228 VanDerWaalsContact O-CB 3.25Å; A207-A228 WeakPolarHBondContact O-CB 3.49Å; T210-A228 PolarHBondContact O-N 3.48Å; A228-G230 PolarHBondContact O-N 2.92Å; A228-A293 CarbonylContact O-C 3.56Å; A228-S294 WeakPolarHBondContact O-CA 3.2Å; A228-S294 PolarHBondContact O-N 3.49Å
229	A	97.1	Very high	95.6	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	29.1	179.7	0	0	0	0	0	113.6	R208 Q231 L268 Q288 P292	R208-A229 HydrophobicContact CB-CB 3.77Å; R208-A229 HydrophobicContact CG-CB 3.97Å; A229-Q231 VanDerWaalsContact C-N 3.28Å; A229-Q231 VanDerWaalsContact CA-OE1 3.28Å; A229-Q231 PolarHBondContact O-N 2.9Å; A229-L268 HydrophobicContact CB-CG 4.3Å; A229-Q288 PolarHBondContact O-NE2 2.82Å; A229-P292 CarbonylContact C-O 3.39Å; A229-P292 WeakPolarHBondContact CA-O 3.31Å; A229-P292 CarbonylContact O-C 3.58Å; A229-P292 WeakPolarHBondContact O-CA 3.48Å; A229-P292 WeakPolarHBondContact O-CB 3.31Å
230	G	97.3	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	75.5	7.1	176.4	0	0	0	0	0	115.6	A228 C289 A293	A228-G230 PolarHBondContact O-N 2.92Å; G230-C289 WeakPolarHBondContact O-CB 3.29Å; G230-C289 PolarHBondContact O-N 2.88Å; G230-A293 WeakPolarHBondContact CA-O 3.08Å; G230-A293 PolarHBondContact N-O 3.39Å
231	Q	97.8	Very high	95.7	Very high	5 Å²	5	28.2 Å²	28.2	2%	0.023	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.1	172.1	73.3	-78.4	19.5	0	0	111.4	F175 R208 G227 A229 L268	F175-Q231 HydrophobicContact CE2-CG 4.28Å; F175-Q231 HydrophobicContact CZ-CB 3.99Å; F175-Q231 HydrophobicContact CZ-CG 3.93Å; R208-Q231 PolarHBondContact O-NE2 3.24Å; G227-Q231 PolarHBondContact N-O 2.86Å; A229-Q231 VanDerWaalsContact C-N 3.28Å; A229-Q231 VanDerWaalsContact CA-OE1 3.28Å; A229-Q231 PolarHBondContact O-N 2.9Å; Q231-L268 HydrophobicContact CG-CD1 4.4Å
232	V	98.3	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.5	173.6	179.3	0	0	0	0	108.3	L224 V225 V287 I295 I307 F309	L224-V232 HydrophobicContact CD1-CG1 3.57Å; L224-V232 HydrophobicContact CG-CG1 4.41Å; V225-V232 CarbonylContact O-C 3.37Å; V225-V232 WeakPolarHBondContact O-CA 3.44Å; V232-V287 HydrophobicContact CB-CB 4.34Å; V232-V287 PolarHBondContact N-O 3.1Å; V232-V287 PolarHBondContact O-N 2.92Å; V232-I295 HydrophobicContact CG2-CD1 3.43Å; V232-I295 VanDerWaalsContact CG2-CD1 3.43Å; V232-I295 HydrophobicContact CG2-CG1 3.66Å; V232-I295 HydrophobicContact CG2-CG2 4.36Å; V232-I307 HydrophobicContact CG1-CD1 4.02Å; V232-F309 HydrophobicContact CG1-CD1 4.45Å; V232-F309 HydrophobicContact CG2-CB 4.03Å; V232-F309 HydrophobicContact CG2-CD1 4.11Å; V232-F309 HydrophobicContact CG2-CD2 4.06Å; V232-F309 HydrophobicContact CG2-CG 3.8Å
233	S	97.4	Very high	95.1	Very high	4 Å²	4	31 Å²	31	3%	0.028	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.9	-175	53.7	0	0	0	0	111.1	V225 W235 S285	V225-S233 PolarHBondContact N-O 2.9Å; V225-S233 PolarHBondContact O-N 2.83Å; V225-S233 PolarHBondContact O-OG 3.34Å; S233-W235 PolarHBondContact OG-NE1 3.47Å; S233-S285 WeakPolarHBondContact CA-O 3.41Å
234	L	96.5	Very high	94.5	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.7	176.4	-179.8	66.7	0	0	0	109.4	W222 L224 V284 S285 V300 I307 C320	W222-L234 HydrophobicContact CE3-CD1 3.91Å; W222-L234 HydrophobicContact CE3-CD2 3.96Å; W222-L234 HydrophobicContact CE3-CG 3.84Å; W222-L234 HydrophobicContact CZ3-CD2 3.87Å; W222-L234 HydrophobicContact CZ3-CG 4.04Å; L224-L234 HydrophobicContact CB-CD1 4.33Å; L224-L234 HydrophobicContact CD1-CB 4.26Å; L224-L234 HydrophobicContact CD1-CD1 4.35Å; L234-V284 PolarHBondContact O-N 3.37Å; L234-S285 PolarHBondContact N-O 2.79Å; L234-S285 PolarHBondContact O-N 2.69Å; L234-S285 VanDerWaalsContact O-N 3.15Å; L234-V300 HydrophobicContact CD1-CG2 4.04Å; L234-I307 HydrophobicContact CD1-CG2 4.3Å; L234-I307 HydrophobicContact CD2-CG2 4.07Å; L234-C320 HydrophobicContact CD2-CB 3.95Å; L234-C320 VanDerWaalsContact CD2-SG 3.59Å
235	W	96.5	Very high	93.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.7	-173.6	-49.3	73.6	0	0	0	111.1	M169 L174 W222 L223 S233 F277 F281 R282 L283	M169-W235 HydrophobicContact CE-CD2 3.56Å; M169-W235 HydrophobicContact CE-CE3 3.58Å; M169-W235 HydrophobicContact CE-CG 4.22Å; M169-W235 HydrophobicContact CE-CH2 3.76Å; M169-W235 HydrophobicContact CE-CZ2 3.74Å; M169-W235 HydrophobicContact CE-CZ3 3.66Å; L174-W235 HydrophobicContact CD1-CH2 3.91Å; L174-W235 HydrophobicContact CD1-CZ2 3.69Å; L174-W235 HydrophobicContact CD2-CH2 4.08Å; L174-W235 HydrophobicContact CG-CH2 4.03Å; L174-W235 HydrophobicContact CG-CZ2 4.29Å; W222-W235 WeakPolarHBondContact CA-O 3.45Å; L223-W235 HydrophobicContact CB-CB 4.31Å; L223-W235 PolarHBondContact N-O 2.85Å; L223-W235 PolarHBondContact O-N 2.7Å; S233-W235 PolarHBondContact OG-NE1 3.47Å; W235-F277 HydrophobicContact CE3-CE1 4.49Å; W235-F277 HydrophobicContact CH2-CE1 4.2Å; W235-F277 HydrophobicContact CZ3-CD1 4.05Å; W235-F277 AromaticContact CZ3-CE1 3.6Å; W235-F277 HydrophobicContact CZ3-CE1 3.6Å; W235-F281 HydrophobicContact CB-CB 4.03Å; W235-F281 HydrophobicContact CB-CD1 4.2Å; W235-R282 CarbonylContact C-O 3.36Å; W235-R282 WeakPolarHBondContact CA-O 3.48Å; W235-L283 HydrophobicContact CD2-CB 4.46Å; W235-L283 HydrophobicContact CD2-CD1 4.18Å; W235-L283 HydrophobicContact CE3-CB 4.06Å; W235-L283 HydrophobicContact CH2-CB 4.49Å; W235-L283 HydrophobicContact CZ2-CD1 4.17Å; W235-L283 HydrophobicContact CZ3-CB 4.1Å
236	E	95.7	Very high	93.4	Very high	50 Å²	50	37.7 Å²	37.7	23%	0.234	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138	-176.8	177.6	-177.1	-137.9	0	0	110.5	R221 W222 H238 F281 R282 V284	R221-E236 WeakPolarHBondContact O-CA 3.41Å; W222-E236 HydrophobicContact CD2-CB 4.29Å; W222-E236 HydrophobicContact CD2-CG 4.44Å; W222-E236 HydrophobicContact CE3-CB 4.02Å; W222-E236 HydrophobicContact CH2-CB 4.05Å; W222-E236 HydrophobicContact CH2-CG 4.13Å; W222-E236 HydrophobicContact CZ2-CB 4.31Å; W222-E236 HydrophobicContact CZ2-CG 3.95Å; W222-E236 WeakPolarHBondContact CZ2-OE1 3.29Å; W222-E236 HydrophobicContact CZ3-CB 3.91Å; W222-E236 HydrophobicContact CZ3-CG 4.45Å; E236-H238 PolarHBondContact O-N 2.84Å; E236-H238 IonicContact OE2-CD2 3.89Å; E236-F281 WeakPolarHBondContact O-CA 3.35Å; E236-R282 PolarHBondContact N-O 3.4Å; E236-R282 PolarHBondContact O-N 3.03Å; E236-R282 IonicContact OE2-CZ 3.85Å; E236-R282 IonicContact OE2-NH2 3.31Å; E236-R282 PolarHBondContact OE2-NH2 2.91Å; E236-V284 HydrophobicContact CB-CG2 3.45Å; E236-V284 VanDerWaalsContact CB-CG2 3.45Å
237	L	96	Very high	92.9	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114.2	-179.8	-178.4	64.4	0	0	0	112.2	T102 R105 I106 R221 F281	T102-L237 HydrophobicContact CG2-CD2 3.52Å; R105-L237 HydrophobicContact CB-CD2 3.87Å; R105-L237 PolarHBondContact NH2-O 2.88Å; I106-L237 HydrophobicContact CD1-CD2 4.41Å; I106-L237 HydrophobicContact CG1-CD1 4.11Å; I106-L237 HydrophobicContact CG1-CD2 3.62Å; R221-L237 WeakPolarHBondContact O-CB 3.13Å; R221-L237 PolarHBondContact O-N 2.81Å; L237-F281 HydrophobicContact CB-CD1 4.43Å; L237-F281 HydrophobicContact CB-CE1 4.1Å; L237-F281 HydrophobicContact CB-CZ 4.23Å; L237-F281 HydrophobicContact CD1-CD2 4.29Å; L237-F281 HydrophobicContact CD1-CE2 4.11Å; L237-F281 HydrophobicContact CD1-CZ 4.44Å
238	H	94.6	Very high	92.7	Very high	52 Å²	52	47.3 Å²	47.3	24%	0.241	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.1	178.7	-114.6	-106.1	0	0	0	111.5	E236 M242 G280 R282	E236-H238 PolarHBondContact O-N 2.84Å; E236-H238 IonicContact OE2-CD2 3.89Å; H238-M242 PolarHBondContact CE1-SD 2.85Å; H238-M242 PolarHBondContact ND1-SD 3.15Å; H238-G280 PolarHBondContact N-O 2.97Å; H238-G280 PolarHBondContact O-N 2.89Å; H238-R282 HydrophobicContact CB-CB 4.35Å
239	D	92.6	Very high	92.7	Very high	61 Å²	61	48.2 Å²	48.2	33%	0.326	25%	0.252	S	S	.	.	S	Bend	trans	-95.8	-5.8	-174.5	-51.9	-77.9	0	0	0	114.5	R105 K112 P279	R105-D239 WeakPolarHBondContact CG-OD1 3.44Å; R105-D239 IonicContact CZ-OD1 2.76Å; R105-D239 IonicContact CZ-OD2 3.51Å; R105-D239 VanDerWaalsContact CZ-OD2 3.25Å; R105-D239 VanDerWaalsContact NE-CG 3.31Å; R105-D239 IonicContact NE-OD1 2.84Å; R105-D239 PolarHBondContact NE-OD1 2.82Å; R105-D239 IonicContact NE-OD2 2.82Å; R105-D239 PolarHBondContact NE-OD2 2.95Å; R105-D239 IonicContact NH2-OD1 3.63Å; R105-D239 IonicContact NH2-OD2 2.84Å; R105-D239 PolarHBondContact NH2-OD2 2.86Å; K112-D239 PolarHBondContact NZ-O 2.9Å; D239-P279 WeakPolarHBondContact O-CG 3.39Å
240	E	89.9	Confident	92.7	Very high	142 Å²	142	52.4 Å²	52.4	66%	0.664	27%	0.274	S	S	*	.	S	Bend	trans	-123.7	154.3	-172.8	-63	-175	160.9	0	0	111.5
241	T	88.9	Confident	92.7	Very high	87 Å²	87	52.5 Å²	52.5	53%	0.534	28%	0.275	S	S	.	.			trans	-71.4	132.5	173.5	-50.4	0	0	0	0	110.4	F277	T241-F277 CarbonylContact C-O 3.59Å; T241-F277 VanDerWaalsContact CA-O 3.26Å; T241-F277 WeakPolarHBondContact CA-O 3.3Å; T241-F277 WeakPolarHBondContact CG2-O 3.39Å
242	M	87.2	Confident	92.7	Very high	68 Å²	68	54.2 Å²	54.2	34%	0.335	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133	176	-67.5	-172	73.2	0	0	112	H238 F277 R282	H238-M242 PolarHBondContact CE1-SD 2.85Å; H238-M242 PolarHBondContact ND1-SD 3.15Å; M242-F277 PolarHBondContact N-O 2.82Å; M242-F277 WeakPolarHBondContact O-CB 3.47Å; M242-F277 PolarHBondContact O-N 3.18Å; M242-R282 WeakPolarHBondContact SD-CD 3.27Å
243	E	87.5	Confident	92.6	Very high	140 Å²	140	54.5 Å²	54.5	65%	0.654	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	135.8	166.2	-69.7	177.8	179.4	0	0	110.4	V275	E243-V275 WeakPolarHBondContact CA-O 3.45Å
244	C	83.3	Confident	92.4	Very high	33 Å²	33	54.5 Å²	54.5	22%	0.223	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	136.3	178.7	-79.3	0	0	0	0	111.7	V246 V275 F277	C244-V246 PolarHBondContact O-N 3.45Å; C244-V275 PolarHBondContact N-O 3.12Å; C244-V275 PolarHBondContact O-N 2.75Å; C244-V275 VanDerWaalsContact O-N 3.16Å; C244-F277 HydrophobicContact CB-CD2 4.13Å; C244-F277 HydrophobicContact CB-CE2 3.81Å
245	S	85.3	Confident	92.1	Very high	83 Å²	83	59.8 Å²	59.8	58%	0.58	31%	0.31	S	S	*	.			trans	-73.7	120.8	169.2	63.6	0	0	0	0	110	K247	S245-K247 PolarHBondContact O-N 2.84Å
246	V	86.7	Confident	91.6	Very high	27 Å²	27	67.4 Å²	67.4	16%	0.164	35%	0.346	C	S	.	.			trans	-71.5	118.4	178.1	-176.3	0	0	0	0	109.8	L174 C244 L270 V275 L283 L286	L174-V246 HydrophobicContact CD2-CG2 3.86Å; C244-V246 PolarHBondContact O-N 3.45Å; V246-L270 HydrophobicContact CG1-CD2 4.1Å; V246-V275 HydrophobicContact CG2-CB 4.33Å; V246-V275 HydrophobicContact CG2-CG2 3.79Å; V246-L283 HydrophobicContact CG1-CD2 3.96Å; V246-L283 HydrophobicContact CG2-CD2 4.3Å; V246-L286 HydrophobicContact CG1-CD2 3.6Å
247	K	87.8	Confident	91.2	Very high	163 Å²	163	66.9 Å²	66.9	71%	0.709	35%	0.346	S	S	*	.			trans	-113.6	128.8	173.2	-67.9	-179.9	-177.5	174.1	0	109.4	S245	S245-K247 PolarHBondContact O-N 2.84Å
248	V	94.4	Very high	90.6	Very high	42 Å²	42	72.3 Å²	72.3	26%	0.255	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.4	175.6	68.7	0	0	0	0	111	L270 L286 Q288	V248-L270 HydrophobicContact CB-CD1 3.7Å; V248-L270 HydrophobicContact CG1-CD1 3.5Å; V248-L270 VanDerWaalsContact CG1-CD1 3.5Å; V248-L270 HydrophobicContact CG2-CD1 4.48Å; V248-L286 CarbonylContact C-O 3.49Å; V248-L286 WeakPolarHBondContact CA-O 3.3Å; V248-L286 HydrophobicContact CB-CD2 4.4Å; V248-L286 HydrophobicContact CG2-CD2 4.47Å; V248-L286 HydrophobicContact CG2-CG 4.23Å; V248-Q288 HydrophobicContact CG2-CB 3.69Å
249	T	96.4	Very high	90.1	Very high	39 Å²	39	78.7 Å²	78.7	24%	0.239	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.7	162.2	-52.2	0	0	0	0	109.8	L286 V287 Q288 F318	T249-L286 PolarHBondContact N-O 2.92Å; T249-V287 WeakPolarHBondContact O-CA 3.43Å; T249-Q288 PolarHBondContact O-N 3.24Å; T249-F318 HydrophobicContact CG2-CE2 3.81Å; T249-F318 HydrophobicContact CG2-CZ 4.35Å
250	D	97.1	Very high	89.9	Confident	88 Å²	88	78.7 Å²	78.7	47%	0.471	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.9	175.7	-60.6	-78.3	0	0	0	111.2	R267 Q288	D250-R267 IonicContact OD1-CZ 2.8Å; D250-R267 IonicContact OD1-NH1 3.77Å; D250-R267 PolarHBondContact OD1-NH1 2.82Å; D250-R267 IonicContact OD1-NH2 3.72Å; D250-R267 IonicContact OD2-NH1 2.69Å; D250-Q288 CarbonylContact C-O 3.41Å; D250-Q288 WeakPolarHBondContact CA-O 3.39Å; D250-Q288 WeakPolarHBondContact OD1-CB 3.47Å
251	I	97.6	Very high	90	Very high	2 Å²	2	78.2 Å²	78.2	1%	0.01	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	104.8	178.7	-57.2	-173.3	0	0	0	109.4	L253 V287 Q288 F290 F309 A316 F318 V325 R328	I251-L253 HydrophobicContact CG2-CD2 4.43Å; I251-L253 PolarHBondContact O-N 2.85Å; I251-V287 HydrophobicContact CB-CG1 4.43Å; I251-V287 HydrophobicContact CD1-CG1 3.57Å; I251-V287 HydrophobicContact CG1-CG1 3.83Å; I251-Q288 PolarHBondContact N-O 3.46Å; I251-F290 PolarHBondContact O-N 3.06Å; I251-F309 HydrophobicContact CB-CZ 4.39Å; I251-F309 HydrophobicContact CD1-CE1 4.12Å; I251-F309 HydrophobicContact CD1-CZ 4.05Å; I251-A316 HydrophobicContact CG2-CB 3.88Å; I251-F318 HydrophobicContact CD1-CB 4.2Å; I251-F318 HydrophobicContact CD1-CD2 3.79Å; I251-F318 HydrophobicContact CD1-CG 4.28Å; I251-V325 HydrophobicContact CD1-CG1 4.35Å; I251-V325 HydrophobicContact CD1-CG2 3.74Å; I251-V325 HydrophobicContact CG1-CG2 3.73Å; I251-V325 HydrophobicContact CG2-CG1 4.3Å; I251-R328 HydrophobicContact CG2-CB 4.5Å
252	N	96.8	Very high	90.1	Very high	42 Å²	42	77.8 Å²	77.8	23%	0.225	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	114.3	174.9	-173.7	-6.7	0	0	0	111	V254 E255 F290 R328	N252-V254 WeakPolarHBondContact OD1-CA 3.46Å; N252-V254 WeakPolarHBondContact OD1-CG2 3.42Å; N252-V254 PolarHBondContact OD1-N 2.82Å; N252-E255 HydrophobicContact CB-CB 4.25Å; N252-E255 PolarHBondContact OD1-N 3.36Å; N252-F290 HydrophobicContact CB-CB 4.43Å; N252-R328 WeakPolarHBondContact O-CD 3.25Å; N252-R328 PolarHBondContact O-NH1 3.37Å
253	L	96	Very high	90.2	Very high	5 Å²	5	82.1 Å²	82.1	3%	0.026	41%	0.409	C	S	.	.	S	Bend	trans	-84.7	-12.2	175.7	-64.9	-176.2	0	0	0	113.9	I251 C289 F290 T311 Y315 A316 R328 C330	I251-L253 HydrophobicContact CG2-CD2 4.43Å; I251-L253 PolarHBondContact O-N 2.85Å; L253-C289 WeakPolarHBondContact CD1-SG 3.4Å; L253-F290 PolarHBondContact N-O 3.04Å; L253-T311 HydrophobicContact CD1-CG2 4.21Å; L253-T311 WeakPolarHBondContact CD1-OG1 3.21Å; L253-Y315 WeakPolarHBondContact CD2-O 3.35Å; L253-A316 HydrophobicContact CD2-CB 3.94Å; L253-R328 HydrophobicContact CD2-CB 4.22Å; L253-C330 WeakPolarHBondContact O-CB 3.13Å; L253-C330 PolarHBondContact O-SG 3.48Å; L253-C330 VanDerWaalsContact O-SG 3.36Å
254	V	94.2	Very high	90.4	Very high	5 Å²	5	77.4 Å²	77.4	3%	0.03	40%	0.398	C	S	.	.	S	Bend	trans	-120.8	14.5	-171.1	-67	0	0	0	0	112.6	N252 E256 T257 F260 F290 P291 H313 L332	N252-V254 WeakPolarHBondContact OD1-CA 3.46Å; N252-V254 WeakPolarHBondContact OD1-CG2 3.42Å; N252-V254 PolarHBondContact OD1-N 2.82Å; V254-E256 PolarHBondContact O-N 3.37Å; V254-T257 WeakPolarHBondContact CB-OG1 3.48Å; V254-T257 PolarHBondContact O-N 3.45Å; V254-T257 PolarHBondContact O-OG1 2.83Å; V254-F260 HydrophobicContact CB-CB 4.38Å; V254-F260 HydrophobicContact CB-CD1 4.3Å; V254-F260 HydrophobicContact CB-CD2 4.15Å; V254-F260 HydrophobicContact CB-CG 3.98Å; V254-F260 HydrophobicContact CG1-CD2 3.96Å; V254-F260 HydrophobicContact CG1-CE2 4.03Å; V254-F260 HydrophobicContact CG1-CG 4.26Å; V254-F260 HydrophobicContact CG1-CZ 4.4Å; V254-F260 HydrophobicContact CG2-CB 4.49Å; V254-F260 HydrophobicContact CG2-CD1 3.81Å; V254-F260 HydrophobicContact CG2-CE1 4.23Å; V254-F260 HydrophobicContact CG2-CG 3.99Å; V254-F290 HydrophobicContact CG2-CD1 3.63Å; V254-F290 HydrophobicContact CG2-CE1 3.61Å; V254-P291 HydrophobicContact CG1-CG 3.95Å; V254-P291 HydrophobicContact CG2-CG 3.88Å; V254-H313 HydrophobicContact CG1-CB 4.28Å; V254-L332 HydrophobicContact CG1-CD1 3.92Å
255	E	89.5	Confident	90.7	Very high	118 Å²	118	81.9 Å²	81.9	55%	0.551	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.2	-177.3	-161.9	170.4	107.9	0	0	113.4	N252 R328	N252-E255 HydrophobicContact CB-CB 4.25Å; N252-E255 PolarHBondContact OD1-N 3.36Å; E255-R328 VanDerWaalsContact CD-NH1 3.26Å; E255-R328 IonicContact OE1-CZ 2.65Å; E255-R328 IonicContact OE1-NH1 3.95Å; E255-R328 IonicContact OE1-NH2 2.71Å; E255-R328 PolarHBondContact OE1-NH2 2.85Å; E255-R328 IonicContact OE2-CZ 3.22Å; E255-R328 IonicContact OE2-NH1 3.59Å; E255-R328 PolarHBondContact OE2-NH1 2.87Å; E255-R328 IonicContact OE2-NH2 2.8Å; E255-R328 PolarHBondContact OE2-NH2 3.01Å
256	E	86.4	Confident	91.2	Very high	161 Å²	161	83 Å²	83	75%	0.752	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.8	177.9	-64.5	173	-169.8	0	0	112.9	V254 V258	V254-E256 PolarHBondContact O-N 3.37Å; E256-V258 PolarHBondContact O-N 3.27Å
257	T	87	Confident	91.6	Very high	39 Å²	39	84.9 Å²	84.9	24%	0.239	42%	0.419	C	S	.	.	S	Bend	trans	-93.6	102.5	-178	52.8	0	0	0	0	111.7	V254 F260	V254-T257 WeakPolarHBondContact CB-OG1 3.48Å; V254-T257 PolarHBondContact O-N 3.45Å; V254-T257 PolarHBondContact O-OG1 2.83Å; T257-F260 PolarHBondContact O-N 2.61Å
258	V	83.1	Confident	92	Very high	121 Å²	121	77.1 Å²	77.1	73%	0.733	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	137.7	177.2	-160	0	0	0	0	110.7	E256 F260	E256-V258 PolarHBondContact O-N 3.27Å; V258-F260 VanDerWaalsContact C-N 3.29Å; V258-F260 PolarHBondContact O-N 2.98Å
259	H	85.1	Confident	92.1	Very high	186 Å²	186	81.6 Å²	81.6	86%	0.861	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	26.1	-179.3	-50.1	-62.2	0	0	0	115.8	E261	H259-E261 PolarHBondContact O-N 3.31Å
260	F	88.3	Confident	91.9	Very high	61 Å²	61	81.6 Å²	81.6	27%	0.268	40%	0.4	S	S	.	.			trans	-63.6	132.2	168	-174	-85.2	0	0	0	111.5	V254 T257 V258 W262 F290 P291 H313 L332	V254-F260 HydrophobicContact CB-CB 4.38Å; V254-F260 HydrophobicContact CB-CD1 4.3Å; V254-F260 HydrophobicContact CB-CD2 4.15Å; V254-F260 HydrophobicContact CB-CG 3.98Å; V254-F260 HydrophobicContact CG1-CD2 3.96Å; V254-F260 HydrophobicContact CG1-CE2 4.03Å; V254-F260 HydrophobicContact CG1-CG 4.26Å; V254-F260 HydrophobicContact CG1-CZ 4.4Å; V254-F260 HydrophobicContact CG2-CB 4.49Å; V254-F260 HydrophobicContact CG2-CD1 3.81Å; V254-F260 HydrophobicContact CG2-CE1 4.23Å; V254-F260 HydrophobicContact CG2-CG 3.99Å; T257-F260 PolarHBondContact O-N 2.61Å; V258-F260 VanDerWaalsContact C-N 3.29Å; V258-F260 PolarHBondContact O-N 2.98Å; F260-W262 HydrophobicContact CE1-CB 4.1Å; F260-W262 HydrophobicContact CZ-CE3 4.43Å; F260-F290 HydrophobicContact CD1-CE1 4.47Å; F260-P291 HydrophobicContact CD1-CG 4.3Å; F260-P291 HydrophobicContact CE1-CB 4.08Å; F260-P291 HydrophobicContact CE1-CG 3.37Å; F260-P291 HydrophobicContact CE2-CG 4.31Å; F260-P291 HydrophobicContact CZ-CB 4.22Å; F260-P291 HydrophobicContact CZ-CG 3.38Å; F260-H313 AromaticContact CE2-CD2 3.98Å; F260-H313 AromaticContact CZ-NE2 3.83Å; F260-L332 HydrophobicContact CD2-CD1 3.76Å; F260-L332 HydrophobicContact CE2-CD1 3.69Å
261	E	90.6	Very high	91.5	Very high	133 Å²	133	81.7 Å²	81.7	62%	0.621	39%	0.394	S	S	*	.			trans	-129.5	123.9	178.8	-170.1	-169.5	170.5	0	0	109.3	H259 K263	H259-E261 PolarHBondContact O-N 3.31Å; E261-K263 WeakPolarHBondContact OE1-CE 3.37Å; E261-K263 IonicContact OE1-NZ 3.11Å; E261-K263 PolarHBondContact OE1-NZ 2.84Å; E261-K263 WeakPolarHBondContact OE2-CE 3.45Å; E261-K263 IonicContact OE2-NZ 3.68Å; E261-K263 PolarHBondContact OE2-NZ 3.37Å
262	W	92.6	Very high	90.7	Very high	78 Å²	78	87.3 Å²	87.3	30%	0.295	43%	0.433	S	S	.	.			trans	-85.4	137.5	178.1	179.8	-123.5	0	0	0	111.4	F260 G264 H265 P291 P292 A293 H313	F260-W262 HydrophobicContact CE1-CB 4.1Å; F260-W262 HydrophobicContact CZ-CE3 4.43Å; W262-G264 PolarHBondContact NE1-O 3.04Å; W262-H265 PolarHBondContact NE1-O 2.74Å; W262-P291 HydrophobicContact CD2-CB 3.88Å; W262-P291 HydrophobicContact CE3-CB 3.68Å; W262-P291 HydrophobicContact CG-CB 4.32Å; W262-P291 HydrophobicContact CZ3-CB 4.18Å; W262-P292 HydrophobicContact CZ2-CG 4.47Å; W262-A293 HydrophobicContact CH2-CB 3.59Å; W262-A293 HydrophobicContact CZ2-CB 4.26Å; W262-A293 HydrophobicContact CZ3-CB 4.07Å; W262-H313 AromaticContact CZ3-CE1 3.62Å; W262-H313 AromaticContact CZ3-NE2 3.94Å
263	K	88.8	Confident	90	Very high	159 Å²	159	92.5 Å²	92.5	69%	0.691	46%	0.456	S	S	*	.			trans	-134.3	19.7	-175.2	-59.4	-168.4	179.1	-174.2	0	114.1	E261	E261-K263 WeakPolarHBondContact OE1-CE 3.37Å; E261-K263 IonicContact OE1-NZ 3.11Å; E261-K263 PolarHBondContact OE1-NZ 2.84Å; E261-K263 WeakPolarHBondContact OE2-CE 3.45Å; E261-K263 IonicContact OE2-NZ 3.68Å; E261-K263 PolarHBondContact OE2-NZ 3.37Å
264	G	90.6	Very high	89.4	Confident	40 Å²	40	96 Å²	96	41%	0.412	48%	0.481	S	S	.	.	S	Bend	trans	-109.6	-164.1	172.3	0	0	0	0	0	111.7	W262	W262-G264 PolarHBondContact NE1-O 3.04Å
265	H	90.9	Very high	89.1	Confident	127 Å²	127	96.5 Å²	96.5	59%	0.588	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-57.4	137.6	174.9	-69.7	-93.6	0	0	0	111.9	R208 W262	R208-H265 HydrophobicContact CG-CB 3.92Å; W262-H265 PolarHBondContact NE1-O 2.74Å
266	D	94.9	Very high	89	Confident	108 Å²	108	94 Å²	94	58%	0.578	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-74.7	159.1	173.3	-166.8	16.8	0	0	0	111.3	R208	R208-D266 WeakPolarHBondContact CD-O 3.35Å; R208-D266 PolarHBondContact NH1-O 3.48Å
267	R	96.4	Very high	89	Confident	66 Å²	66	86.9 Å²	86.9	25%	0.249	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-53	155.5	-178.7	67.3	172	-65.8	161.3	11	112.5	R208 D250 P292	R208-R267 PolarHBondContact NH1-O 2.93Å; D250-R267 IonicContact OD1-CZ 2.8Å; D250-R267 IonicContact OD1-NH1 3.77Å; D250-R267 PolarHBondContact OD1-NH1 2.82Å; D250-R267 IonicContact OD1-NH2 3.72Å; D250-R267 IonicContact OD2-NH1 2.69Å; R267-P292 HydrophobicContact CB-CB 3.94Å; R267-P292 HydrophobicContact CB-CG 4.46Å
268	L	96.2	Very high	89.1	Confident	0 Å²	0	87.6 Å²	87.6	0%	0	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-67.6	144.8	164.8	-68.7	172.1	0	0	0	110.4	F175 R208 F209 A229 Q231	F175-L268 HydrophobicContact CB-CB 4.35Å; F175-L268 HydrophobicContact CD1-CB 3.39Å; F175-L268 HydrophobicContact CD1-CD1 4.09Å; F175-L268 HydrophobicContact CD1-CG 4.35Å; F175-L268 HydrophobicContact CD2-CB 4.49Å; F175-L268 HydrophobicContact CD2-CD1 3.71Å; F175-L268 HydrophobicContact CE1-CB 3.69Å; F175-L268 HydrophobicContact CE1-CD1 4.15Å; F175-L268 HydrophobicContact CE2-CD1 3.78Å; F175-L268 HydrophobicContact CG-CB 3.83Å; F175-L268 HydrophobicContact CG-CD1 3.87Å; F175-L268 HydrophobicContact CG-CG 4.38Å; F175-L268 HydrophobicContact CZ-CB 4.37Å; F175-L268 HydrophobicContact CZ-CD1 4Å; R208-L268 HydrophobicContact CB-CD1 4.47Å; R208-L268 HydrophobicContact CB-CD2 3.64Å; R208-L268 HydrophobicContact CB-CG 4.01Å; F209-L268 HydrophobicContact CD1-CD1 3.67Å; F209-L268 HydrophobicContact CD1-CD2 3.83Å; F209-L268 HydrophobicContact CD1-CG 4.43Å; F209-L268 HydrophobicContact CE1-CD1 4.05Å; F209-L268 HydrophobicContact CE1-CD2 3.59Å; F209-L268 HydrophobicContact CE1-CG 4.46Å; F209-L268 HydrophobicContact CZ-CD2 4.43Å; A229-L268 HydrophobicContact CB-CG 4.3Å; Q231-L268 HydrophobicContact CG-CD1 4.4Å
269	K	95	Very high	89.5	Confident	135 Å²	135	82.4 Å²	82.4	59%	0.587	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-92.3	139.7	172.1	-64.7	179.5	179.4	179.2	0	109.2	F175 E176	F175-K269 CarbonylContact C-O 3.58Å; F175-K269 WeakPolarHBondContact CA-O 3.49Å; F175-K269 VanDerWaalsContact CB-O 3.25Å; F175-K269 WeakPolarHBondContact CB-O 3.42Å; F175-K269 WeakPolarHBondContact CD1-O 3.2Å; E176-K269 HydrophobicContact CB-CB 4.2Å; E176-K269 HydrophobicContact CG-CB 4.01Å; E176-K269 PolarHBondContact N-O 2.82Å; E176-K269 WeakPolarHBondContact OE2-CB 3.45Å; E176-K269 WeakPolarHBondContact OE2-CD 3.2Å; E176-K269 IonicContact OE2-NZ 3.71Å
270	L	93.3	Very high	89.9	Confident	40 Å²	40	73.6 Å²	73.6	21%	0.209	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-85.1	145.6	-177.5	-63.5	163.5	0	0	0	110.6	F175 V246 V248 L286	F175-L270 HydrophobicContact CD1-CD2 3.73Å; F175-L270 HydrophobicContact CD1-CG 4.49Å; F175-L270 HydrophobicContact CE1-CD2 3.54Å; V246-L270 HydrophobicContact CG1-CD2 4.1Å; V248-L270 HydrophobicContact CB-CD1 3.7Å; V248-L270 HydrophobicContact CG1-CD1 3.5Å; V248-L270 VanDerWaalsContact CG1-CD1 3.5Å; V248-L270 HydrophobicContact CG2-CD1 4.48Å; L270-L286 HydrophobicContact CD2-CD2 3.44Å; L270-L286 VanDerWaalsContact CD2-CD2 3.44Å
271	R	89	Confident	90.2	Very high	89 Å²	89	70.9 Å²	70.9	34%	0.336	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-59.7	140.3	167.5	-66.4	-170.2	171	-158.1	-2.1	109.6	L173 L174 F175 Y178 E273	L173-R271 WeakPolarHBondContact O-CD 3.48Å; L174-R271 PolarHBondContact O-N 3.11Å; F175-R271 VanDerWaalsContact C-CG 3.48Å; F175-R271 VanDerWaalsContact O-CG 3.25Å; F175-R271 WeakPolarHBondContact O-CG 3.46Å; F175-R271 PolarHBondContact O-NE 2.86Å; Y178-R271 PolarHBondContact O-NH2 2.83Å; R271-E273 VanDerWaalsContact C-N 3.27Å
272	S	80.4	Confident	90.4	Very high	121 Å²	121	66.3 Å²	66.3	85%	0.846	34%	0.344	S	S	*	.	S	Bend	trans	-79.6	-11	177.9	-67.4	0	0	0	0	113.4
273	E	81.7	Confident	90.5	Very high	150 Å²	150	63.2 Å²	63.2	70%	0.701	33%	0.333	S	S	*	.	S	Bend	trans	-101.2	160.9	-171	-64.5	173.6	175	0	0	112.1	R271 V275	R271-E273 VanDerWaalsContact C-N 3.27Å; E273-V275 PolarHBondContact O-N 3.47Å
274	S	84	Confident	90.7	Very high	79 Å²	79	58.2 Å²	58.2	55%	0.552	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-68.3	125.3	171.5	44	0	0	0	0	110.6
275	V	86.6	Confident	90.8	Very high	15 Å²	15	56.9 Å²	56.9	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.5	178.6	176.5	0	0	0	0	109.3	L173 E243 C244 V246 E273 F277	L173-V275 HydrophobicContact CD1-CG1 3.52Å; E243-V275 WeakPolarHBondContact CA-O 3.45Å; C244-V275 PolarHBondContact N-O 3.12Å; C244-V275 PolarHBondContact O-N 2.75Å; C244-V275 VanDerWaalsContact O-N 3.16Å; V246-V275 HydrophobicContact CG2-CB 4.33Å; V246-V275 HydrophobicContact CG2-CG2 3.79Å; E273-V275 PolarHBondContact O-N 3.47Å; V275-F277 HydrophobicContact CB-CD2 4.43Å; V275-F277 HydrophobicContact CB-CE2 3.64Å; V275-F277 HydrophobicContact CB-CZ 3.76Å; V275-F277 HydrophobicContact CG1-CD1 4.3Å; V275-F277 HydrophobicContact CG1-CD2 4.09Å; V275-F277 HydrophobicContact CG1-CE1 3.79Å; V275-F277 HydrophobicContact CG1-CE2 3.55Å; V275-F277 HydrophobicContact CG1-CG 4.43Å; V275-F277 HydrophobicContact CG1-CZ 3.39Å; V275-F277 WeakPolarHBondContact O-CD2 3.39Å; V275-F277 WeakPolarHBondContact O-CE2 3.37Å
276	S	87.7	Confident	91.1	Very high	67 Å²	67	50.9 Å²	50.9	47%	0.469	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.5	173.5	-158.7	0	0	0	0	110
277	F	87.7	Confident	91.2	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.044	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.9	179.5	-61.1	-90.3	0	0	0	109.1	L173 L174 W235 T241 M242 C244 V275 R282 L283	L173-F277 HydrophobicContact CD1-CE1 3.99Å; L174-F277 HydrophobicContact CD2-CE1 4.13Å; L174-F277 HydrophobicContact CD2-CZ 3.87Å; W235-F277 HydrophobicContact CE3-CE1 4.49Å; W235-F277 HydrophobicContact CH2-CE1 4.2Å; W235-F277 HydrophobicContact CZ3-CD1 4.05Å; W235-F277 AromaticContact CZ3-CE1 3.6Å; W235-F277 HydrophobicContact CZ3-CE1 3.6Å; T241-F277 CarbonylContact C-O 3.59Å; T241-F277 VanDerWaalsContact CA-O 3.26Å; T241-F277 WeakPolarHBondContact CA-O 3.3Å; T241-F277 WeakPolarHBondContact CG2-O 3.39Å; M242-F277 PolarHBondContact N-O 2.82Å; M242-F277 WeakPolarHBondContact O-CB 3.47Å; M242-F277 PolarHBondContact O-N 3.18Å; C244-F277 HydrophobicContact CB-CD2 4.13Å; C244-F277 HydrophobicContact CB-CE2 3.81Å; V275-F277 HydrophobicContact CB-CD2 4.43Å; V275-F277 HydrophobicContact CB-CE2 3.64Å; V275-F277 HydrophobicContact CB-CZ 3.76Å; V275-F277 HydrophobicContact CG1-CD1 4.3Å; V275-F277 HydrophobicContact CG1-CD2 4.09Å; V275-F277 HydrophobicContact CG1-CE1 3.79Å; V275-F277 HydrophobicContact CG1-CE2 3.55Å; V275-F277 HydrophobicContact CG1-CG 4.43Å; V275-F277 HydrophobicContact CG1-CZ 3.39Å; V275-F277 WeakPolarHBondContact O-CD2 3.39Å; V275-F277 WeakPolarHBondContact O-CE2 3.37Å; F277-R282 HydrophobicContact CB-CG 4.36Å; F277-R282 HydrophobicContact CD2-CG 4.49Å; F277-R282 HydrophobicContact CG-CG 4.35Å; F277-L283 HydrophobicContact CE1-CB 3.92Å; F277-L283 HydrophobicContact CE2-CB 4.5Å; F277-L283 HydrophobicContact CZ-CB 3.75Å
278	V	88.2	Confident	91.3	Very high	55 Å²	55	42.9 Å²	42.9	33%	0.333	24%	0.235	S	C	.	.			trans	-63.4	159.8	167.4	-64.4	0	0	0	0	111.2	R113	R113-V278 HydrophobicContact CG-CG2 4.02Å
279	P	91.4	Very high	91.4	Very high	12 Å²	12	43 Å²	43	8%	0.078	24%	0.235	C	C	.	.	S	Bend	trans	-47.5	140.6	177.5	-32.3	38.7	0	0	0	113.6	A109 K112 D239	A109-P279 HydrophobicContact CB-CB 4.48Å; K112-P279 HydrophobicContact CB-CB 4.48Å; K112-P279 HydrophobicContact CD-CB 3.91Å; K112-P279 HydrophobicContact CD-CG 3.97Å; D239-P279 WeakPolarHBondContact O-CG 3.39Å
280	G	94	Very high	91.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.5	-144.6	-168.2	0	0	0	0	0	111.5	H238 R282	H238-G280 PolarHBondContact N-O 2.97Å; H238-G280 PolarHBondContact O-N 2.89Å; G280-R282 PolarHBondContact O-N 3.12Å
281	F	95	Very high	91.6	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.9	-176.8	-74.2	-89.6	0	0	0	111.5	I106 F155 Y167 M169 L223 W235 E236 L237	I106-F281 HydrophobicContact CD1-CE2 4.45Å; I106-F281 HydrophobicContact CD1-CZ 4.41Å; I106-F281 HydrophobicContact CG1-CE2 4.23Å; F155-F281 AromaticContact CE1-CE2 3.63Å; F155-F281 HydrophobicContact CE1-CE2 3.63Å; F155-F281 AromaticContact CE1-CZ 3.89Å; F155-F281 HydrophobicContact CE1-CZ 3.89Å; F155-F281 HydrophobicContact CE2-CD2 4.38Å; F155-F281 HydrophobicContact CE2-CE2 4.14Å; F155-F281 AromaticContact CZ-CD2 3.95Å; F155-F281 HydrophobicContact CZ-CD2 3.95Å; F155-F281 AromaticContact CZ-CE2 3.35Å; F155-F281 HydrophobicContact CZ-CE2 3.35Å; F155-F281 AromaticContact CZ-CZ 3.74Å; F155-F281 HydrophobicContact CZ-CZ 3.74Å; Y167-F281 HydrophobicContact CD1-CD2 4.2Å; Y167-F281 AromaticContact CE1-CD2 3.67Å; Y167-F281 HydrophobicContact CE1-CD2 3.67Å; Y167-F281 HydrophobicContact CE1-CE2 4.43Å; Y167-F281 PolarHBondContact OH-N 3.32Å; M169-F281 HydrophobicContact SD-CB 3.7Å; M169-F281 HydrophobicContact SD-CG 4.31Å; L223-F281 HydrophobicContact CB-CD1 3.7Å; L223-F281 HydrophobicContact CB-CE1 3.7Å; L223-F281 HydrophobicContact CD2-CD1 4.34Å; L223-F281 HydrophobicContact CD2-CG 4.35Å; W235-F281 HydrophobicContact CB-CB 4.03Å; W235-F281 HydrophobicContact CB-CD1 4.2Å; E236-F281 WeakPolarHBondContact O-CA 3.35Å; L237-F281 HydrophobicContact CB-CD1 4.43Å; L237-F281 HydrophobicContact CB-CE1 4.1Å; L237-F281 HydrophobicContact CB-CZ 4.23Å; L237-F281 HydrophobicContact CD1-CD2 4.29Å; L237-F281 HydrophobicContact CD1-CE2 4.11Å; L237-F281 HydrophobicContact CD1-CZ 4.44Å
282	R	93.3	Very high	92	Very high	37 Å²	37	34.7 Å²	34.7	14%	0.14	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.9	175.7	-178.8	-174.8	65	73.2	1	110	W235 E236 H238 M242 F277 G280 V284	W235-R282 CarbonylContact C-O 3.36Å; W235-R282 WeakPolarHBondContact CA-O 3.48Å; E236-R282 PolarHBondContact N-O 3.4Å; E236-R282 PolarHBondContact O-N 3.03Å; E236-R282 IonicContact OE2-CZ 3.85Å; E236-R282 IonicContact OE2-NH2 3.31Å; E236-R282 PolarHBondContact OE2-NH2 2.91Å; H238-R282 HydrophobicContact CB-CB 4.35Å; M242-R282 WeakPolarHBondContact SD-CD 3.27Å; F277-R282 HydrophobicContact CB-CG 4.36Å; F277-R282 HydrophobicContact CD2-CG 4.49Å; F277-R282 HydrophobicContact CG-CG 4.35Å; G280-R282 PolarHBondContact O-N 3.12Å; R282-V284 PolarHBondContact O-N 3.49Å
283	L	95	Very high	92.8	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.073	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	131.7	174.7	-177.2	70.8	0	0	0	111	L174 W235 V246 F277 S285 L286	L174-L283 HydrophobicContact CD1-CD1 4.11Å; L174-L283 HydrophobicContact CD1-CD2 4.02Å; L174-L283 HydrophobicContact CD2-CD2 3.79Å; W235-L283 HydrophobicContact CD2-CB 4.46Å; W235-L283 HydrophobicContact CD2-CD1 4.18Å; W235-L283 HydrophobicContact CE3-CB 4.06Å; W235-L283 HydrophobicContact CH2-CB 4.49Å; W235-L283 HydrophobicContact CZ2-CD1 4.17Å; W235-L283 HydrophobicContact CZ3-CB 4.1Å; V246-L283 HydrophobicContact CG1-CD2 3.96Å; V246-L283 HydrophobicContact CG2-CD2 4.3Å; F277-L283 HydrophobicContact CE1-CB 3.92Å; F277-L283 HydrophobicContact CE2-CB 4.5Å; F277-L283 HydrophobicContact CZ-CB 3.75Å; L283-S285 WeakPolarHBondContact CD1-O 3.29Å; L283-L286 HydrophobicContact CD1-CB 4.48Å; L283-L286 HydrophobicContact CD2-CB 4.3Å
284	V	92.8	Very high	93.5	Very high	54 Å²	54	23.4 Å²	23.4	33%	0.327	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-41	173.1	-178.7	0	0	0	0	111.7	W222 L234 E236 R282	W222-V284 HydrophobicContact CH2-CG1 4.23Å; W222-V284 HydrophobicContact CH2-CG2 4.18Å; W222-V284 HydrophobicContact CZ3-CB 4.04Å; W222-V284 HydrophobicContact CZ3-CG1 3.99Å; W222-V284 HydrophobicContact CZ3-CG2 3.79Å; L234-V284 PolarHBondContact O-N 3.37Å; E236-V284 HydrophobicContact CB-CG2 3.45Å; E236-V284 VanDerWaalsContact CB-CG2 3.45Å; R282-V284 PolarHBondContact O-N 3.49Å
285	S	94.4	Very high	94.1	Very high	11 Å²	11	19.6 Å²	19.6	8%	0.077	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.2	179.1	-159.2	0	0	0	0	112.2	S233 L234 L283 F318	S233-S285 WeakPolarHBondContact CA-O 3.41Å; L234-S285 PolarHBondContact N-O 2.79Å; L234-S285 PolarHBondContact O-N 2.69Å; L234-S285 VanDerWaalsContact O-N 3.15Å; L283-S285 WeakPolarHBondContact CD1-O 3.29Å; S285-F318 WeakPolarHBondContact OG-CE1 3.29Å
286	L	96.6	Very high	94.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.6	175.9	-177.2	65.7	0	0	0	110	L174 F175 V246 V248 T249 L270 L283	L174-L286 HydrophobicContact CD1-CD1 4.22Å; L174-L286 HydrophobicContact CD1-CD2 4.3Å; F175-L286 HydrophobicContact CZ-CD1 4.39Å; V246-L286 HydrophobicContact CG1-CD2 3.6Å; V248-L286 CarbonylContact C-O 3.49Å; V248-L286 WeakPolarHBondContact CA-O 3.3Å; V248-L286 HydrophobicContact CB-CD2 4.4Å; V248-L286 HydrophobicContact CG2-CD2 4.47Å; V248-L286 HydrophobicContact CG2-CG 4.23Å; T249-L286 PolarHBondContact N-O 2.92Å; L270-L286 HydrophobicContact CD2-CD2 3.44Å; L270-L286 VanDerWaalsContact CD2-CD2 3.44Å; L283-L286 HydrophobicContact CD1-CB 4.48Å; L283-L286 HydrophobicContact CD2-CB 4.3Å
287	V	97.8	Very high	94.9	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.9	178.3	171.3	0	0	0	0	108.9	V232 T249 I251 I307 F309 F318	V232-V287 HydrophobicContact CB-CB 4.34Å; V232-V287 PolarHBondContact N-O 3.1Å; V232-V287 PolarHBondContact O-N 2.92Å; T249-V287 WeakPolarHBondContact O-CA 3.43Å; I251-V287 HydrophobicContact CB-CG1 4.43Å; I251-V287 HydrophobicContact CD1-CG1 3.57Å; I251-V287 HydrophobicContact CG1-CG1 3.83Å; V287-I307 HydrophobicContact CG2-CD1 4.33Å; V287-F309 HydrophobicContact CG1-CE1 3.7Å; V287-F309 HydrophobicContact CG1-CZ 3.69Å; V287-F318 HydrophobicContact CG2-CD1 3.67Å; V287-F318 HydrophobicContact CG2-CD2 4.25Å; V287-F318 HydrophobicContact CG2-CE1 3.73Å; V287-F318 HydrophobicContact CG2-CE2 4.31Å; V287-F318 HydrophobicContact CG2-CG 3.92Å; V287-F318 HydrophobicContact CG2-CZ 4.05Å
288	Q	97.9	Very high	95.3	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.023	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.6	170.6	175.5	68.7	61.4	0	0	109.3	A229 V248 T249 D250 I251	A229-Q288 PolarHBondContact O-NE2 2.82Å; V248-Q288 HydrophobicContact CG2-CB 3.69Å; T249-Q288 PolarHBondContact O-N 3.24Å; D250-Q288 CarbonylContact C-O 3.41Å; D250-Q288 WeakPolarHBondContact CA-O 3.39Å; D250-Q288 WeakPolarHBondContact OD1-CB 3.47Å; I251-Q288 PolarHBondContact N-O 3.46Å
289	C	97.7	Very high	95.4	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.6	167.6	-177.3	0	0	0	0	110.7	G230 L253 P291 P292 F309	G230-C289 WeakPolarHBondContact O-CB 3.29Å; G230-C289 PolarHBondContact O-N 2.88Å; L253-C289 WeakPolarHBondContact CD1-SG 3.4Å; C289-P291 CarbonylContact C-O 3.54Å; C289-P291 CarbonylContact O-C 3.51Å; C289-P291 PolarHBondContact SG-O 2.91Å; C289-P292 WeakPolarHBondContact O-CA 3.32Å; C289-F309 HydrophobicContact CB-CE2 3.93Å
290	F	97.1	Very high	95.4	Very high	88 Å²	88	14.9 Å²	14.9	39%	0.386	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.2	157.4	-175	-89.2	0	0	0	109.3	I251 N252 L253 V254 F260	I251-F290 PolarHBondContact O-N 3.06Å; N252-F290 HydrophobicContact CB-CB 4.43Å; L253-F290 PolarHBondContact N-O 3.04Å; V254-F290 HydrophobicContact CG2-CD1 3.63Å; V254-F290 HydrophobicContact CG2-CE1 3.61Å; F260-F290 HydrophobicContact CD1-CE1 4.47Å
291	P	96.5	Very high	95.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	S	Bend	cis	-67.4	152.8	2.3	-16.5	33	0	0	0	111.6	V254 F260 W262 C289 A293	V254-P291 HydrophobicContact CG1-CG 3.95Å; V254-P291 HydrophobicContact CG2-CG 3.88Å; F260-P291 HydrophobicContact CD1-CG 4.3Å; F260-P291 HydrophobicContact CE1-CB 4.08Å; F260-P291 HydrophobicContact CE1-CG 3.37Å; F260-P291 HydrophobicContact CE2-CG 4.31Å; F260-P291 HydrophobicContact CZ-CB 4.22Å; F260-P291 HydrophobicContact CZ-CG 3.38Å; W262-P291 HydrophobicContact CD2-CB 3.88Å; W262-P291 HydrophobicContact CE3-CB 3.68Å; W262-P291 HydrophobicContact CG-CB 4.32Å; W262-P291 HydrophobicContact CZ3-CB 4.18Å; C289-P291 CarbonylContact C-O 3.54Å; C289-P291 CarbonylContact O-C 3.51Å; C289-P291 PolarHBondContact SG-O 2.91Å; P291-A293 PolarHBondContact O-N 3.41Å
292	P	97.2	Very high	94.8	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.019	10%	0.096	C	C	.	.			trans	-75.8	61.2	-179.6	32.9	-35.9	0	0	0	111	A229 W262 R267 C289	A229-P292 CarbonylContact C-O 3.39Å; A229-P292 WeakPolarHBondContact CA-O 3.31Å; A229-P292 CarbonylContact O-C 3.58Å; A229-P292 WeakPolarHBondContact O-CA 3.48Å; A229-P292 WeakPolarHBondContact O-CB 3.31Å; W262-P292 HydrophobicContact CZ2-CG 4.47Å; R267-P292 HydrophobicContact CB-CB 3.94Å; R267-P292 HydrophobicContact CB-CG 4.46Å; C289-P292 WeakPolarHBondContact O-CA 3.32Å
293	A	95.6	Very high	94.3	Very high	8 Å²	8	20 Å²	20	7%	0.066	11%	0.114	C	C	.	.			trans	-105.8	151.4	-176.8	0	0	0	0	0	111.3	A228 G230 W262 P291 I295	A228-A293 CarbonylContact O-C 3.56Å; G230-A293 WeakPolarHBondContact CA-O 3.08Å; G230-A293 PolarHBondContact N-O 3.39Å; W262-A293 HydrophobicContact CH2-CB 3.59Å; W262-A293 HydrophobicContact CZ2-CB 4.26Å; W262-A293 HydrophobicContact CZ3-CB 4.07Å; P291-A293 PolarHBondContact O-N 3.41Å; A293-I295 PolarHBondContact O-N 3.32Å
294	S	96.6	Very high	93.9	Very high	25 Å²	25	19.6 Å²	19.6	18%	0.175	11%	0.111	C	C	.	.			trans	-41.7	132.1	-179.9	174.7	0	0	0	0	113.9	H212 A228 T296	H212-S294 PolarHBondContact CE1-OG 3.15Å; H212-S294 PolarHBondContact ND1-OG 3.12Å; A228-S294 WeakPolarHBondContact O-CA 3.2Å; A228-S294 PolarHBondContact O-N 3.49Å; S294-T296 PolarHBondContact O-N 2.93Å; S294-T296 VanDerWaalsContact O-N 3.15Å
295	I	97.8	Very high	93.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.			trans	-73.5	100.5	172.2	-55.8	-59.8	0	0	0	108.9	R213 G227 V232 A293 S297 A298 F309 G310 T311	R213-I295 HydrophobicContact CG-CG2 4.29Å; R213-I295 VanDerWaalsContact CG-O 3.29Å; R213-I295 WeakPolarHBondContact CG-O 3.21Å; G227-I295 WeakPolarHBondContact O-CG1 3.48Å; G227-I295 PolarHBondContact O-N 3.4Å; G227-I295 VanDerWaalsContact O-N 3.11Å; V232-I295 HydrophobicContact CG2-CD1 3.43Å; V232-I295 VanDerWaalsContact CG2-CD1 3.43Å; V232-I295 HydrophobicContact CG2-CG1 3.66Å; V232-I295 HydrophobicContact CG2-CG2 4.36Å; A293-I295 PolarHBondContact O-N 3.32Å; I295-S297 WeakPolarHBondContact CG2-O 3.23Å; I295-A298 HydrophobicContact CG2-CB 4.38Å; I295-F309 HydrophobicContact CD1-CD2 3.89Å; I295-F309 HydrophobicContact CG2-CB 4.23Å; I295-G310 CarbonylContact C-O 3.58Å; I295-G310 WeakPolarHBondContact CA-O 3.44Å; I295-T311 HydrophobicContact CD1-CG2 4.06Å
296	T	95.4	Very high	93.7	Very high	13 Å²	13	16.9 Å²	16.9	8%	0.08	10%	0.096	C	C	.	.			trans	-83.3	-14.3	-176.1	60.5	0	0	0	0	113.1	R213 S294 G310 T311 L382 V383	R213-T296 VanDerWaalsContact CZ-O 3.24Å; R213-T296 PolarHBondContact NE-O 2.82Å; R213-T296 PolarHBondContact NH2-O 2.87Å; S294-T296 PolarHBondContact O-N 2.93Å; S294-T296 VanDerWaalsContact O-N 3.15Å; T296-G310 PolarHBondContact N-O 3.13Å; T296-G310 PolarHBondContact OG1-O 2.83Å; T296-T311 WeakPolarHBondContact OG1-CA 3.45Å; T296-T311 PolarHBondContact OG1-N 2.87Å; T296-T311 PolarHBondContact OG1-O 2.66Å; T296-L382 HydrophobicContact CG2-CD1 4.1Å; T296-L382 HydrophobicContact CG2-CG 4.19Å; T296-V383 VanDerWaalsContact CB-O 3.28Å; T296-V383 WeakPolarHBondContact CB-O 3.47Å; T296-V383 PolarHBondContact OG1-O 3.43Å
297	S	95	Very high	93.6	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.028	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	146.9	176.2	50.8	0	0	0	0	110.4	I295 F309 G310 V383 I386	I295-S297 WeakPolarHBondContact CG2-O 3.23Å; S297-F309 CarbonylContact O-C 3.57Å; S297-F309 VanDerWaalsContact O-CA 3.32Å; S297-F309 WeakPolarHBondContact O-CA 3.5Å; S297-G310 PolarHBondContact N-O 3.36Å; S297-G310 PolarHBondContact O-N 2.87Å; S297-V383 VanDerWaalsContact OG-CG1 3.26Å; S297-V383 WeakPolarHBondContact OG-CG1 3.18Å; S297-I386 WeakPolarHBondContact OG-CD1 3.38Å; S297-I386 WeakPolarHBondContact OG-CG1 3.43Å
298	A	95.4	Very high	93.6	Very high	5 Å²	5	16.8 Å²	16.8	4%	0.041	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.7	177.9	0	0	0	0	0	110	R213 C215 L224 I295 A308	R213-A298 HydrophobicContact CB-CB 3.89Å; R213-A298 HydrophobicContact CG-CB 4.42Å; C215-A298 PolarHBondContact SG-O 3.48Å; L224-A298 HydrophobicContact CD2-CB 3.96Å; I295-A298 HydrophobicContact CG2-CB 4.38Å; A298-A308 CarbonylContact C-O 3.58Å; A298-A308 WeakPolarHBondContact CA-O 3.22Å
299	A	92	Very high	93.6	Very high	10 Å²	10	16.6 Å²	16.6	8%	0.083	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	149.9	169	0	0	0	0	0	109.9	L224 I307 A308 I386 F388	L224-A299 VanDerWaalsContact CD2-O 3.3Å; L224-A299 WeakPolarHBondContact CD2-O 3.36Å; A299-I307 WeakPolarHBondContact O-CA 3.28Å; A299-A308 PolarHBondContact N-O 3.32Å; A299-A308 PolarHBondContact O-N 3.41Å; A299-I386 HydrophobicContact CB-CG2 3.91Å; A299-F388 HydrophobicContact CB-CD2 3.92Å; A299-F388 HydrophobicContact CB-CE2 4.03Å
300	V	91.3	Very high	93.5	Very high	27 Å²	27	16.5 Å²	16.5	16%	0.164	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.8	173	57.6	0	0	0	0	109.2	C215 L224 L234 T302 L306 I307	C215-V300 HydrophobicContact CB-CG1 4.1Å; L224-V300 HydrophobicContact CB-CB 4.24Å; L224-V300 HydrophobicContact CB-CG1 4.29Å; L224-V300 HydrophobicContact CD2-CB 4.06Å; L234-V300 HydrophobicContact CD1-CG2 4.04Å; V300-T302 HydrophobicContact CG2-CG2 4Å; V300-L306 WeakPolarHBondContact CA-O 3.37Å; V300-I307 HydrophobicContact CB-CG2 4.24Å; V300-I307 HydrophobicContact CG2-CG2 4.01Å
301	D	90.1	Very high	93.5	Very high	18 Å²	18	12.3 Å²	12.3	10%	0.096	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	108.3	164.8	-171.5	-61.2	0	0	0	107.6	D303 W304 G305 L306 F388	D301-D303 PolarHBondContact OD1-N 3.46Å; D301-W304 HydrophobicContact CB-CB 4.39Å; D301-W304 HydrophobicContact CB-CD2 4.17Å; D301-W304 HydrophobicContact CB-CE3 3.91Å; D301-W304 HydrophobicContact CB-CG 4.46Å; D301-W304 HydrophobicContact CB-CZ3 4.47Å; D301-W304 VanDerWaalsContact CG-CD2 3.4Å; D301-W304 WeakPolarHBondContact OD1-CB 3.49Å; D301-W304 PolarHBondContact OD1-N 2.69Å; D301-G305 WeakPolarHBondContact O-CA 3.26Å; D301-G305 PolarHBondContact O-N 3.39Å; D301-L306 PolarHBondContact N-O 3.46Å; D301-L306 PolarHBondContact O-N 3.22Å; D301-F388 HydrophobicContact CB-CB 4.12Å; D301-F388 HydrophobicContact CB-CD2 3.58Å; D301-F388 HydrophobicContact CB-CE2 4.09Å; D301-F388 HydrophobicContact CB-CG 3.85Å
302	T	84.7	Confident	93.5	Very high	34 Å²	34	13.9 Å²	13.9	21%	0.209	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-36	-170.6	44.2	0	0	0	0	112.4	D217 W222 V300 W304 G305	D217-T302 HydrophobicContact CB-CG2 3.83Å; W222-T302 HydrophobicContact CB-CG2 3.62Å; W222-T302 VanDerWaalsContact CD1-CG2 3.46Å; W222-T302 HydrophobicContact CD2-CG2 3.94Å; W222-T302 HydrophobicContact CG-CG2 3.38Å; V300-T302 HydrophobicContact CG2-CG2 4Å; T302-W304 VanDerWaalsContact C-N 3.34Å; T302-G305 PolarHBondContact O-N 3.08Å; T302-G305 VanDerWaalsContact O-N 3.14Å
303	D	83.5	Confident	93.3	Very high	96 Å²	96	14.7 Å²	14.7	51%	0.513	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-47	175.7	-62.7	-14.9	0	0	0	109.6	D301 G305 K321	D301-D303 PolarHBondContact OD1-N 3.46Å; D303-G305 VanDerWaalsContact C-N 3.31Å; D303-G305 PolarHBondContact O-N 2.84Å; D303-K321 PolarHBondContact O-NZ 3.36Å
304	W	86.4	Confident	93.3	Very high	6 Å²	6	14.3 Å²	14.3	2%	0.023	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-20.9	176.5	-53.2	-15.2	0	0	0	112.5	D301 T302 L306 F388 R390 P401 L417 V419	D301-W304 HydrophobicContact CB-CB 4.39Å; D301-W304 HydrophobicContact CB-CD2 4.17Å; D301-W304 HydrophobicContact CB-CE3 3.91Å; D301-W304 HydrophobicContact CB-CG 4.46Å; D301-W304 HydrophobicContact CB-CZ3 4.47Å; D301-W304 VanDerWaalsContact CG-CD2 3.4Å; D301-W304 WeakPolarHBondContact OD1-CB 3.49Å; D301-W304 PolarHBondContact OD1-N 2.69Å; T302-W304 VanDerWaalsContact C-N 3.34Å; W304-L306 VanDerWaalsContact C-N 3.32Å; W304-L306 HydrophobicContact CB-CB 4.39Å; W304-L306 HydrophobicContact CB-CD1 3.99Å; W304-L306 HydrophobicContact CB-CG 3.85Å; W304-L306 HydrophobicContact CE3-CD1 4.29Å; W304-F388 HydrophobicContact CE3-CB 4.43Å; W304-F388 HydrophobicContact CE3-CD1 4.03Å; W304-F388 HydrophobicContact CE3-CG 4.34Å; W304-F388 HydrophobicContact CH2-CB 4.29Å; W304-F388 HydrophobicContact CZ3-CB 3.71Å; W304-F388 AromaticContact CZ3-CD1 3.75Å; W304-F388 HydrophobicContact CZ3-CD1 3.75Å; W304-F388 HydrophobicContact CZ3-CG 4Å; W304-R390 HydrophobicContact CH2-CG 4.11Å; W304-R390 HydrophobicContact CZ2-CG 3.54Å; W304-P401 HydrophobicContact CD2-CB 3.99Å; W304-P401 HydrophobicContact CD2-CG 4.42Å; W304-P401 HydrophobicContact CE3-CB 4.03Å; W304-P401 HydrophobicContact CH2-CB 3.61Å; W304-P401 HydrophobicContact CH2-CG 4.37Å; W304-P401 HydrophobicContact CZ2-CB 3.53Å; W304-P401 HydrophobicContact CZ2-CG 3.8Å; W304-P401 HydrophobicContact CZ3-CB 3.82Å; W304-L417 HydrophobicContact CE3-CD1 3.72Å; W304-L417 HydrophobicContact CZ3-CD1 3.63Å; W304-V419 HydrophobicContact CB-CG1 4.07Å; W304-V419 HydrophobicContact CB-CG2 3.95Å; W304-V419 HydrophobicContact CD2-CG2 4.16Å; W304-V419 HydrophobicContact CG-CB 4.48Å; W304-V419 HydrophobicContact CG-CG1 4.25Å; W304-V419 HydrophobicContact CG-CG2 3.81Å
305	G	88.9	Confident	93.4	Very high	9 Å²	9	13.1 Å²	13.1	9%	0.093	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	26.2	-174.6	0	0	0	0	0	113	D301 T302 D303 C320	D301-G305 WeakPolarHBondContact O-CA 3.26Å; D301-G305 PolarHBondContact O-N 3.39Å; T302-G305 PolarHBondContact O-N 3.08Å; T302-G305 VanDerWaalsContact O-N 3.14Å; D303-G305 VanDerWaalsContact C-N 3.31Å; D303-G305 PolarHBondContact O-N 2.84Å; G305-C320 PolarHBondContact O-N 3.04Å
306	L	93.2	Very high	93.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.3	-174.1	-62.5	-177.8	0	0	0	111.2	V300 D301 W304 F318 D319 V326 F388 L417 V419 V431	V300-L306 WeakPolarHBondContact CA-O 3.37Å; D301-L306 PolarHBondContact N-O 3.46Å; D301-L306 PolarHBondContact O-N 3.22Å; W304-L306 VanDerWaalsContact C-N 3.32Å; W304-L306 HydrophobicContact CB-CB 4.39Å; W304-L306 HydrophobicContact CB-CD1 3.99Å; W304-L306 HydrophobicContact CB-CG 3.85Å; W304-L306 HydrophobicContact CE3-CD1 4.29Å; L306-F318 WeakPolarHBondContact CA-O 3.21Å; L306-D319 HydrophobicContact CD2-CB 3.88Å; L306-V326 HydrophobicContact CD2-CG2 4.3Å; L306-F388 HydrophobicContact CB-CE1 4.19Å; L306-F388 HydrophobicContact CB-CE2 4.34Å; L306-F388 HydrophobicContact CB-CZ 3.73Å; L306-F388 HydrophobicContact CD1-CE1 4.26Å; L306-L417 HydrophobicContact CD1-CD1 3.98Å; L306-L417 HydrophobicContact CD1-CD2 4.44Å; L306-V419 HydrophobicContact CD1-CG2 4.3Å; L306-V431 HydrophobicContact CD1-CG1 4.19Å; L306-V431 HydrophobicContact CD2-CB 4.49Å; L306-V431 HydrophobicContact CD2-CG1 4.26Å; L306-V431 HydrophobicContact CD2-CG2 4.25Å
307	I	95.6	Very high	93.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	148.1	160.2	64.7	177.5	0	0	0	109.1	L224 V232 L234 V287 A299 V300 V317 F318	L224-I307 HydrophobicContact CD1-CB 4.26Å; L224-I307 HydrophobicContact CD1-CD1 4.21Å; L224-I307 HydrophobicContact CD1-CG2 3.84Å; L224-I307 HydrophobicContact CD2-CB 4.21Å; L224-I307 HydrophobicContact CD2-CG2 4.13Å; V232-I307 HydrophobicContact CG1-CD1 4.02Å; L234-I307 HydrophobicContact CD1-CG2 4.3Å; L234-I307 HydrophobicContact CD2-CG2 4.07Å; V287-I307 HydrophobicContact CG2-CD1 4.33Å; A299-I307 WeakPolarHBondContact O-CA 3.28Å; V300-I307 HydrophobicContact CB-CG2 4.24Å; V300-I307 HydrophobicContact CG2-CG2 4.01Å; I307-V317 WeakPolarHBondContact O-CA 3.38Å; I307-F318 HydrophobicContact CD1-CB 4.4Å; I307-F318 HydrophobicContact CD1-CD1 4.03Å; I307-F318 HydrophobicContact CG1-CB 3.88Å; I307-F318 HydrophobicContact CG1-CD1 4.11Å; I307-F318 PolarHBondContact N-O 2.97Å; I307-F318 PolarHBondContact O-N 2.71Å
308	A	97.1	Very high	93.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.7	172	0	0	0	0	0	109.6	A298 A299 A316 V317 I386 F388 L403	A298-A308 CarbonylContact C-O 3.58Å; A298-A308 WeakPolarHBondContact CA-O 3.22Å; A299-A308 PolarHBondContact N-O 3.32Å; A299-A308 PolarHBondContact O-N 3.41Å; A308-A316 VanDerWaalsContact CA-O 3.29Å; A308-A316 WeakPolarHBondContact CA-O 3.37Å; A308-V317 HydrophobicContact CB-CG2 4.17Å; A308-I386 HydrophobicContact CB-CG2 3.52Å; A308-F388 HydrophobicContact CB-CE1 4.31Å; A308-F388 HydrophobicContact CB-CE2 4.12Å; A308-F388 HydrophobicContact CB-CZ 3.6Å; A308-L403 HydrophobicContact CB-CD1 4.06Å; A308-L403 HydrophobicContact CB-CD2 4.21Å
309	F	97.8	Very high	93.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.2	-175.2	65.5	-91.5	0	0	0	111.6	V232 I251 V287 C289 I295 S297 Y315 A316 I386	V232-F309 HydrophobicContact CG1-CD1 4.45Å; V232-F309 HydrophobicContact CG2-CB 4.03Å; V232-F309 HydrophobicContact CG2-CD1 4.11Å; V232-F309 HydrophobicContact CG2-CD2 4.06Å; V232-F309 HydrophobicContact CG2-CG 3.8Å; I251-F309 HydrophobicContact CB-CZ 4.39Å; I251-F309 HydrophobicContact CD1-CE1 4.12Å; I251-F309 HydrophobicContact CD1-CZ 4.05Å; V287-F309 HydrophobicContact CG1-CE1 3.7Å; V287-F309 HydrophobicContact CG1-CZ 3.69Å; C289-F309 HydrophobicContact CB-CE2 3.93Å; I295-F309 HydrophobicContact CD1-CD2 3.89Å; I295-F309 HydrophobicContact CG2-CB 4.23Å; S297-F309 CarbonylContact O-C 3.57Å; S297-F309 VanDerWaalsContact O-CA 3.32Å; S297-F309 WeakPolarHBondContact O-CA 3.5Å; F309-Y315 CarbonylContact O-C 3.6Å; F309-Y315 WeakPolarHBondContact O-CA 3.32Å; F309-Y315 VanDerWaalsContact O-CB 3.25Å; F309-Y315 WeakPolarHBondContact O-CB 3.35Å; F309-A316 HydrophobicContact CE1-CB 3.98Å; F309-A316 HydrophobicContact CE2-CB 4.25Å; F309-A316 HydrophobicContact CZ-CB 3.77Å; F309-A316 PolarHBondContact N-O 3.15Å; F309-A316 PolarHBondContact O-N 2.75Å; F309-I386 WeakPolarHBondContact O-CD1 3.43Å
310	G	97.4	Very high	93.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.6	-176.2	0	0	0	0	0	112.1	I295 T296 S297 G314 I386	I295-G310 CarbonylContact C-O 3.58Å; I295-G310 WeakPolarHBondContact CA-O 3.44Å; T296-G310 PolarHBondContact N-O 3.13Å; T296-G310 PolarHBondContact OG1-O 2.83Å; S297-G310 PolarHBondContact N-O 3.36Å; S297-G310 PolarHBondContact O-N 2.87Å; G310-G314 CarbonylContact C-O 3.52Å; G310-G314 WeakPolarHBondContact CA-O 3.25Å; G310-I386 VanDerWaalsContact N-CD1 3.33Å
311	T	96.7	Very high	93.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.			trans	-134.5	-172.2	-179.7	66.3	0	0	0	0	110.6	L253 I295 T296 H313 G314 V383	L253-T311 HydrophobicContact CD1-CG2 4.21Å; L253-T311 WeakPolarHBondContact CD1-OG1 3.21Å; I295-T311 HydrophobicContact CD1-CG2 4.06Å; T296-T311 WeakPolarHBondContact OG1-CA 3.45Å; T296-T311 PolarHBondContact OG1-N 2.87Å; T296-T311 PolarHBondContact OG1-O 2.66Å; T311-H313 PolarHBondContact O-N 3.46Å; T311-H313 PolarHBondContact OG1-N 3.26Å; T311-H313 VanDerWaalsContact OG1-N 3.1Å; T311-G314 PolarHBondContact N-O 3.42Å; T311-G314 PolarHBondContact OG1-O 3.45Å; T311-V383 PolarHBondContact O-N 3.22Å; T311-V383 VanDerWaalsContact O-N 3.08Å
312	A	94.8	Very high	93.3	Very high	32 Å²	32	15.6 Å²	15.6	26%	0.264	9%	0.087	S	C	.	.	S	Bend	trans	-59.3	-22.2	166.3	0	0	0	0	0	114.2	S381 L382	A312-S381 CarbonylContact O-C 3.37Å; A312-S381 VanDerWaalsContact O-C 3.3Å; A312-S381 VanDerWaalsContact O-CB 3.31Å; A312-S381 WeakPolarHBondContact O-CB 2.83Å; A312-S381 PolarHBondContact O-OG 2.68Å; A312-L382 HydrophobicContact CB-CD1 4.44Å; A312-L382 PolarHBondContact O-N 3Å
313	H	94.7	Very high	93.7	Very high	20 Å²	20	17.4 Å²	17.4	9%	0.093	10%	0.101	C	C	.	.	S	Bend	trans	-102.1	-24.5	-170.2	-53.1	102.8	0	0	0	114.4	V254 F260 W262 T311 L331	V254-H313 HydrophobicContact CG1-CB 4.28Å; F260-H313 AromaticContact CE2-CD2 3.98Å; F260-H313 AromaticContact CZ-NE2 3.83Å; W262-H313 AromaticContact CZ3-CE1 3.62Å; W262-H313 AromaticContact CZ3-NE2 3.94Å; T311-H313 PolarHBondContact O-N 3.46Å; T311-H313 PolarHBondContact OG1-N 3.26Å; T311-H313 VanDerWaalsContact OG1-N 3.1Å; H313-L331 PolarHBondContact O-N 3.27Å
314	G	95.7	Very high	94.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-164.3	-167.5	0	0	0	0	0	112.7	G310 T311 R329 V383	G310-G314 CarbonylContact C-O 3.52Å; G310-G314 WeakPolarHBondContact CA-O 3.25Å; T311-G314 PolarHBondContact N-O 3.42Å; T311-G314 PolarHBondContact OG1-O 3.45Å; G314-R329 WeakPolarHBondContact CA-O 3.47Å; G314-V383 WeakPolarHBondContact O-CG2 3.33Å
315	Y	97.7	Very high	94.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.8	-179.2	55.2	-87.1	0	0	0	113.4	L253 F309 L327 R328 R329 L331 V383 V405 F413 Y415	L253-Y315 WeakPolarHBondContact CD2-O 3.35Å; F309-Y315 CarbonylContact O-C 3.6Å; F309-Y315 WeakPolarHBondContact O-CA 3.32Å; F309-Y315 VanDerWaalsContact O-CB 3.25Å; F309-Y315 WeakPolarHBondContact O-CB 3.35Å; Y315-L327 HydrophobicContact CE2-CD2 4.09Å; Y315-R328 CarbonylContact O-C 3.57Å; Y315-R328 WeakPolarHBondContact O-CA 3.28Å; Y315-R329 HydrophobicContact CE1-CB 4.31Å; Y315-R329 HydrophobicContact CE1-CG 4.4Å; Y315-R329 HydrophobicContact CE2-CB 4.2Å; Y315-R329 PolarHBondContact N-O 3.02Å; Y315-R329 PolarHBondContact O-N 2.84Å; Y315-L331 HydrophobicContact CD1-CD1 3.86Å; Y315-L331 HydrophobicContact CD1-CG 4.27Å; Y315-L331 HydrophobicContact CE1-CD1 3.84Å; Y315-L331 HydrophobicContact CE1-CD2 4.09Å; Y315-L331 HydrophobicContact CE1-CG 4.11Å; Y315-V383 HydrophobicContact CD1-CG2 3.87Å; Y315-V405 HydrophobicContact CD1-CG1 3.66Å; Y315-V405 HydrophobicContact CD2-CG1 4.3Å; Y315-V405 HydrophobicContact CD2-CG2 4.04Å; Y315-V405 HydrophobicContact CE1-CB 4.28Å; Y315-V405 HydrophobicContact CE1-CG1 3.66Å; Y315-V405 HydrophobicContact CE2-CB 4.34Å; Y315-V405 HydrophobicContact CE2-CG1 4.32Å; Y315-V405 HydrophobicContact CE2-CG2 3.86Å; Y315-V405 HydrophobicContact CG-CG1 3.97Å; Y315-F413 AromaticContact CE1-CD2 4Å; Y315-F413 HydrophobicContact CE1-CD2 4Å; Y315-F413 HydrophobicContact CE1-CE2 4.2Å; Y315-F413 WeakPolarHBondContact OH-CB 3.38Å; Y315-F413 WeakPolarHBondContact OH-CD2 3.45Å; Y315-F413 WeakPolarHBondContact OH-CG 3.39Å; Y315-Y415 AromaticContact CE2-CE2 3.82Å; Y315-Y415 HydrophobicContact CE2-CE2 3.82Å; Y315-Y415 WeakPolarHBondContact OH-CE2 3.35Å; Y315-Y415 PolarHBondContact OH-OH 2.82Å
316	A	98.2	Very high	94.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.6	173.1	0	0	0	0	0	112.6	I251 L253 A308 F309 L327 R328	I251-A316 HydrophobicContact CG2-CB 3.88Å; L253-A316 HydrophobicContact CD2-CB 3.94Å; A308-A316 VanDerWaalsContact CA-O 3.29Å; A308-A316 WeakPolarHBondContact CA-O 3.37Å; F309-A316 HydrophobicContact CE1-CB 3.98Å; F309-A316 HydrophobicContact CE2-CB 4.25Å; F309-A316 HydrophobicContact CZ-CB 3.77Å; F309-A316 PolarHBondContact N-O 3.15Å; F309-A316 PolarHBondContact O-N 2.75Å; A316-L327 CarbonylContact C-O 3.48Å; A316-L327 WeakPolarHBondContact CA-O 3.46Å; A316-L327 WeakPolarHBondContact CB-O 3.39Å; A316-R328 HydrophobicContact CB-CB 4.36Å
317	V	97.9	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.3	171	-171.4	0	0	0	0	107	I307 A308 V326 L327 L403	I307-V317 WeakPolarHBondContact O-CA 3.38Å; A308-V317 HydrophobicContact CB-CG2 4.17Å; V317-V326 HydrophobicContact CB-CB 4.25Å; V317-V326 HydrophobicContact CG1-CB 4.21Å; V317-V326 PolarHBondContact O-N 3.03Å; V317-L327 HydrophobicContact CB-CB 4.03Å; V317-L327 HydrophobicContact CG2-CB 3.93Å; V317-L327 HydrophobicContact CG2-CD2 4.12Å; V317-L327 PolarHBondContact N-O 2.82Å; V317-L327 PolarHBondContact O-N 3.32Å; V317-L403 HydrophobicContact CG2-CD2 3.25Å
318	F	96.9	Very high	95.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.4	-175.6	-177.8	-101.4	0	0	0	109.9	T249 I251 S285 V287 L306 I307 S323 K324 V325	T249-F318 HydrophobicContact CG2-CE2 3.81Å; T249-F318 HydrophobicContact CG2-CZ 4.35Å; I251-F318 HydrophobicContact CD1-CB 4.2Å; I251-F318 HydrophobicContact CD1-CD2 3.79Å; I251-F318 HydrophobicContact CD1-CG 4.28Å; S285-F318 WeakPolarHBondContact OG-CE1 3.29Å; V287-F318 HydrophobicContact CG2-CD1 3.67Å; V287-F318 HydrophobicContact CG2-CD2 4.25Å; V287-F318 HydrophobicContact CG2-CE1 3.73Å; V287-F318 HydrophobicContact CG2-CE2 4.31Å; V287-F318 HydrophobicContact CG2-CG 3.92Å; V287-F318 HydrophobicContact CG2-CZ 4.05Å; L306-F318 WeakPolarHBondContact CA-O 3.21Å; I307-F318 HydrophobicContact CD1-CB 4.4Å; I307-F318 HydrophobicContact CD1-CD1 4.03Å; I307-F318 HydrophobicContact CG1-CB 3.88Å; I307-F318 HydrophobicContact CG1-CD1 4.11Å; I307-F318 PolarHBondContact N-O 2.97Å; I307-F318 PolarHBondContact O-N 2.71Å; F318-S323 VanDerWaalsContact CE2-C 3.47Å; F318-S323 VanDerWaalsContact CZ-C 3.44Å; F318-K324 VanDerWaalsContact CD2-C 3.42Å; F318-K324 VanDerWaalsContact CD2-O 3.31Å; F318-K324 WeakPolarHBondContact CD2-O 3.48Å; F318-V325 HydrophobicContact CD2-CG2 4.34Å
319	D	94.7	Very high	95	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.1	176.2	179.4	-26	0	0	0	108.4	L306 K321 N322 S323 K324 V326 V431	L306-D319 HydrophobicContact CD2-CB 3.88Å; D319-K321 VanDerWaalsContact C-N 3.34Å; D319-K321 WeakPolarHBondContact OD1-CB 3.3Å; D319-K321 PolarHBondContact OD1-N 2.84Å; D319-N322 HydrophobicContact CB-CB 4.28Å; D319-N322 PolarHBondContact OD1-N 2.93Å; D319-N322 PolarHBondContact OD2-ND2 2.92Å; D319-S323 CarbonylContact O-C 3.47Å; D319-S323 WeakPolarHBondContact O-CA 3.31Å; D319-S323 PolarHBondContact O-N 2.89Å; D319-K324 PolarHBondContact N-O 3.02Å; D319-K324 PolarHBondContact O-N 2.83Å; D319-V326 HydrophobicContact CB-CG2 3.58Å; D319-V431 WeakPolarHBondContact OD2-CG2 3.25Å
320	C	91.6	Very high	94.8	Very high	17 Å²	17	29.2 Å²	29.2	12%	0.115	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-24.5	-176.5	-64.5	0	0	0	0	112.5	L234 G305	L234-C320 HydrophobicContact CD2-CB 3.95Å; L234-C320 VanDerWaalsContact CD2-SG 3.59Å; G305-C320 PolarHBondContact O-N 3.04Å
321	K	87.8	Confident	94.6	Very high	82 Å²	82	30.9 Å²	30.9	36%	0.357	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-48.8	176.7	-65.2	171.9	-179.9	171.8	0	109.4	D303 D319 R426	D303-K321 PolarHBondContact O-NZ 3.36Å; D319-K321 VanDerWaalsContact C-N 3.34Å; D319-K321 WeakPolarHBondContact OD1-CB 3.3Å; D319-K321 PolarHBondContact OD1-N 2.84Å; K321-R426 CarbonylContact C-O 3.42Å
322	N	89.1	Confident	94.3	Very high	27 Å²	27	33.3 Å²	33.3	14%	0.144	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.8	178	-73.3	-51.1	0	0	0	114.9	D319 K324 R426 I427 R428	D319-N322 HydrophobicContact CB-CB 4.28Å; D319-N322 PolarHBondContact OD1-N 2.93Å; D319-N322 PolarHBondContact OD2-ND2 2.92Å; N322-K324 VanDerWaalsContact C-N 3.29Å; N322-K324 HydrophobicContact CB-CB 3.93Å; N322-K324 PolarHBondContact O-N 3.05Å; N322-R426 VanDerWaalsContact OD1-C 3.27Å; N322-R426 PolarHBondContact OD1-O 2.89Å; N322-I427 VanDerWaalsContact OD1-CA 3.26Å; N322-I427 WeakPolarHBondContact OD1-CA 3.27Å; N322-I427 PolarHBondContact OD1-N 3.05Å; N322-R428 PolarHBondContact OD1-N 2.81Å
323	S	91.5	Very high	93.3	Very high	72 Å²	72	36.3 Å²	36.3	50%	0.503	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	47	-167	-63.7	0	0	0	0	112.9	F318 D319	F318-S323 VanDerWaalsContact CE2-C 3.47Å; F318-S323 VanDerWaalsContact CZ-C 3.44Å; D319-S323 CarbonylContact O-C 3.47Å; D319-S323 WeakPolarHBondContact O-CA 3.31Å; D319-S323 PolarHBondContact O-N 2.89Å
324	K	92.8	Very high	91.2	Very high	71 Å²	71	40.1 Å²	40.1	31%	0.309	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.6	-168.8	-168.3	-171.5	176.5	-170	0	113.1	F318 D319 N322 V326 D430	F318-K324 VanDerWaalsContact CD2-C 3.42Å; F318-K324 VanDerWaalsContact CD2-O 3.31Å; F318-K324 WeakPolarHBondContact CD2-O 3.48Å; D319-K324 PolarHBondContact N-O 3.02Å; D319-K324 PolarHBondContact O-N 2.83Å; N322-K324 VanDerWaalsContact C-N 3.29Å; N322-K324 HydrophobicContact CB-CB 3.93Å; N322-K324 PolarHBondContact O-N 3.05Å; K324-V326 PolarHBondContact O-N 3.29Å; K324-D430 WeakPolarHBondContact CD-OD1 3.34Å; K324-D430 IonicContact NZ-OD1 3.68Å; K324-D430 PolarHBondContact NZ-OD1 2.82Å; K324-D430 IonicContact NZ-OD2 2.64Å; K324-D430 PolarHBondContact NZ-OD2 2.87Å
325	V	95.6	Very high	88.4	Confident	52 Å²	52	46 Å²	46	32%	0.315	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	115.8	166.5	-167.5	0	0	0	0	109.7	I251 F318 R328	I251-V325 HydrophobicContact CD1-CG1 4.35Å; I251-V325 HydrophobicContact CD1-CG2 3.74Å; I251-V325 HydrophobicContact CG1-CG2 3.73Å; I251-V325 HydrophobicContact CG2-CG1 4.3Å; F318-V325 HydrophobicContact CD2-CG2 4.34Å; V325-R328 HydrophobicContact CG1-CB 4.5Å
326	V	96	Very high	85.2	Confident	29 Å²	29	50 Å²	50	18%	0.176	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-42.1	177.8	177.8	0	0	0	0	110.5	L306 V317 D319 K324 V431 C433	L306-V326 HydrophobicContact CD2-CG2 4.3Å; V317-V326 HydrophobicContact CB-CB 4.25Å; V317-V326 HydrophobicContact CG1-CB 4.21Å; V317-V326 PolarHBondContact O-N 3.03Å; D319-V326 HydrophobicContact CB-CG2 3.58Å; K324-V326 PolarHBondContact O-N 3.29Å; V326-V431 HydrophobicContact CG1-CB 4.35Å; V326-V431 HydrophobicContact CG1-CG1 4.03Å; V326-V431 HydrophobicContact CG2-CB 4.13Å; V326-V431 HydrophobicContact CG2-CG1 4.43Å; V326-C433 HydrophobicContact CG1-CB 3.66Å
327	L	96.4	Very high	81.7	Confident	27 Å²	27	53 Å²	53	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.9	177.9	175.4	67.9	0	0	0	109.3	Y315 A316 V317 Y415 C433	Y315-L327 HydrophobicContact CE2-CD2 4.09Å; A316-L327 CarbonylContact C-O 3.48Å; A316-L327 WeakPolarHBondContact CA-O 3.46Å; A316-L327 WeakPolarHBondContact CB-O 3.39Å; V317-L327 HydrophobicContact CB-CB 4.03Å; V317-L327 HydrophobicContact CG2-CB 3.93Å; V317-L327 HydrophobicContact CG2-CD2 4.12Å; V317-L327 PolarHBondContact N-O 2.82Å; V317-L327 PolarHBondContact O-N 3.32Å; L327-Y415 HydrophobicContact CD1-CE1 4.46Å; L327-Y415 HydrophobicContact CD2-CD1 3.99Å; L327-Y415 HydrophobicContact CD2-CE1 3.44Å; L327-Y415 VanDerWaalsContact CD2-CE1 3.44Å; L327-Y415 HydrophobicContact CD2-CE2 4.14Å; L327-C433 HydrophobicContact CB-CB 4.28Å
328	R	95.8	Very high	78.3	Confident	85 Å²	85	63.8 Å²	63.8	32%	0.321	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148	157.7	52.5	172.7	175.8	-173.3	-0.8	108.5	I251 N252 L253 E255 Y315 A316 V325	I251-R328 HydrophobicContact CG2-CB 4.5Å; N252-R328 WeakPolarHBondContact O-CD 3.25Å; N252-R328 PolarHBondContact O-NH1 3.37Å; L253-R328 HydrophobicContact CD2-CB 4.22Å; E255-R328 VanDerWaalsContact CD-NH1 3.26Å; E255-R328 IonicContact OE1-CZ 2.65Å; E255-R328 IonicContact OE1-NH1 3.95Å; E255-R328 IonicContact OE1-NH2 2.71Å; E255-R328 PolarHBondContact OE1-NH2 2.85Å; E255-R328 IonicContact OE2-CZ 3.22Å; E255-R328 IonicContact OE2-NH1 3.59Å; E255-R328 PolarHBondContact OE2-NH1 2.87Å; E255-R328 IonicContact OE2-NH2 2.8Å; E255-R328 PolarHBondContact OE2-NH2 3.01Å; Y315-R328 CarbonylContact O-C 3.57Å; Y315-R328 WeakPolarHBondContact O-CA 3.28Å; A316-R328 HydrophobicContact CB-CB 4.36Å; V325-R328 HydrophobicContact CG1-CB 4.5Å
329	R	95.4	Very high	75	Confident	68 Å²	68	68.9 Å²	68.9	26%	0.257	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	119.4	174.5	178.4	165.8	-66.8	-167.6	-0.5	110.5	G314 Y315 L331 Y415	G314-R329 WeakPolarHBondContact CA-O 3.47Å; Y315-R329 HydrophobicContact CE1-CB 4.31Å; Y315-R329 HydrophobicContact CE1-CG 4.4Å; Y315-R329 HydrophobicContact CE2-CB 4.2Å; Y315-R329 PolarHBondContact N-O 3.02Å; Y315-R329 PolarHBondContact O-N 2.84Å; R329-L331 HydrophobicContact CG-CD2 4.16Å; R329-Y415 PolarHBondContact NE-OH 2.79Å; R329-Y415 PolarHBondContact NH1-OH 2.72Å
330	C	94.8	Very high	71.7	Confident	29 Å²	29	77.2 Å²	77.2	20%	0.196	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143	163.1	-154.8	0	0	0	0	109.9	L253	L253-C330 WeakPolarHBondContact O-CB 3.13Å; L253-C330 PolarHBondContact O-SG 3.48Å; L253-C330 VanDerWaalsContact O-SG 3.36Å
331	L	93.6	Very high	68.7	Low	35 Å²	35	80.8 Å²	80.8	18%	0.183	48%	0.482	C	S	.	.			trans	-118.2	0.7	173.1	-67.1	178.6	0	0	0	112.8	H313 Y315 R329 S333 S381 V383 T407 F413	H313-L331 PolarHBondContact O-N 3.27Å; Y315-L331 HydrophobicContact CD1-CD1 3.86Å; Y315-L331 HydrophobicContact CD1-CG 4.27Å; Y315-L331 HydrophobicContact CE1-CD1 3.84Å; Y315-L331 HydrophobicContact CE1-CD2 4.09Å; Y315-L331 HydrophobicContact CE1-CG 4.11Å; R329-L331 HydrophobicContact CG-CD2 4.16Å; L331-S333 PolarHBondContact O-N 2.88Å; L331-S381 VanDerWaalsContact C-CB 3.49Å; L331-S381 VanDerWaalsContact CD1-O 3.31Å; L331-S381 WeakPolarHBondContact CD1-O 3.4Å; L331-S381 WeakPolarHBondContact O-CB 3.17Å; L331-V383 HydrophobicContact CD1-CG2 3.78Å; L331-T407 HydrophobicContact CD1-CG2 3.62Å; L331-F413 HydrophobicContact CD1-CE2 4.48Å; L331-F413 HydrophobicContact CD2-CE2 3.59Å; L331-F413 HydrophobicContact CD2-CZ 3.65Å
332	L	89.8	Confident	66	Low	51 Å²	51	82.2 Å²	82.2	27%	0.267	50%	0.502	S	S	.	.	S	Bend	trans	-60.6	134.6	171.7	-62.6	175.9	0	0	0	109.8	V254 F260	V254-L332 HydrophobicContact CG1-CD1 3.92Å; F260-L332 HydrophobicContact CD2-CD1 3.76Å; F260-L332 HydrophobicContact CE2-CD1 3.69Å
333	S	72.6	Confident	63	Low	95 Å²	95	90.8 Å²	90.8	66%	0.664	54%	0.538	S	S	*	.			trans	-70.6	135.2	176.7	-155	0	0	0	0	109.7	L331 T335	L331-S333 PolarHBondContact O-N 2.88Å; S333-T335 PolarHBondContact O-N 2.84Å; S333-T335 PolarHBondContact O-OG1 2.93Å
334	A	51.9	Low	60.1	Low	99 Å²	99	94.1 Å²	94.1	82%	0.818	56%	0.555	S	S	*	*			trans	-75.1	55.1	-177.4	0	0	0	0	0	112.8	G336	A334-G336 VanDerWaalsContact C-N 3.34Å; A334-G336 PolarHBondContact O-N 2.94Å; A334-G336 VanDerWaalsContact O-N 3.17Å
335	T	37.2	Very low	56.9	Low	124 Å²	124	95.9 Å²	95.9	76%	0.761	58%	0.583	S	S	*	*			trans	-90	66.5	-178.6	52.2	0	0	0	0	111.3	S333	S333-T335 PolarHBondContact O-N 2.84Å; S333-T335 PolarHBondContact O-OG1 2.93Å
336	G	29	Very low	53.9	Low	84 Å²	84	99.1 Å²	99.1	87%	0.866	61%	0.608	S	S	*	*	S	Bend	trans	-142.3	21.9	174.8	0	0	0	0	0	113.2	A334	A334-G336 VanDerWaalsContact C-N 3.34Å; A334-G336 PolarHBondContact O-N 2.94Å; A334-G336 VanDerWaalsContact O-N 3.17Å
337	G	25.3	Very low	50.6	Low	64 Å²	64	102.7 Å²	102.7	66%	0.66	64%	0.641	S	S	*	*			trans	-143.4	37.4	-163.1	0	0	0	0	0	115.7
338	Y	27.2	Very low	47.5	Very low	226 Å²	226	109.7 Å²	109.7	89%	0.886	68%	0.678	S	S	*	*			trans	-131.8	132.3	162.9	-94.8	-92.1	0	0	0	109.2
339	P	27.9	Very low	44.4	Very low	106 Å²	106	110.3 Å²	110.3	69%	0.688	70%	0.695	S	S	*	*			trans	-75.6	137.2	178.9	30.6	-34	0	0	0	111.4	S341	P339-S341 PolarHBondContact O-N 3.3Å; P339-S341 PolarHBondContact O-OG 2.82Å; P339-S341 VanDerWaalsContact O-OG 3.11Å
340	D	25.6	Very low	41.3	Very low	178 Å²	178	113 Å²	113	95%	0.952	72%	0.721	S	S	*	*			trans	-53	119.8	175.5	-94.3	-40	0	0	0	111.3
341	S	26.9	Very low	38.3	Very low	93 Å²	93	121 Å²	121	65%	0.65	76%	0.755	S	S	*	*			trans	-137.8	113.3	-178.2	36	0	0	0	0	110.7	P339	P339-S341 PolarHBondContact O-N 3.3Å; P339-S341 PolarHBondContact O-OG 2.82Å; P339-S341 VanDerWaalsContact O-OG 3.11Å
342	S	31.8	Very low	35	Very low	112 Å²	112	129.9 Å²	129.9	78%	0.783	79%	0.786	S	S	*	*			trans	60.7	119.6	-165.5	67.1	0	0	0	0	114.4
343	K	27	Very low	32	Very low	206 Å²	206	134.1 Å²	134.1	90%	0.896	81%	0.809	S	S	*	*			cis	59.9	81.5	47.6	-62	-170.7	175.8	179.9	0	115
344	T	29.4	Very low	30	Very low	142 Å²	142	139.6 Å²	139.6	87%	0.871	82%	0.821	S	S	*	*			trans	-145.3	119.3	131	20.3	0	0	0	0	108.9
345	A	25.8	Very low	28.6	Very low	109 Å²	109	141 Å²	141	90%	0.901	82%	0.819	S	S	*	*			trans	-89.1	125.8	169.9	0	0	0	0	0	109.1
346	S	32.2	Very low	28	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	82%	0.824	S	S	*	*			trans	-125.6	119.5	160.3	48.2	0	0	0	0	107.8
347	A	26.8	Very low	27.8	Very low	104 Å²	104	143.8 Å²	143.8	86%	0.86	82%	0.818	S	S	*	*			trans	-89.4	142.7	-177.9	0	0	0	0	0	110.9
348	L	32.1	Very low	27.7	Very low	174 Å²	174	147.5 Å²	147.5	91%	0.911	82%	0.823	S	S	*	*			trans	-143.5	154.9	153	-103.7	167.4	0	0	0	109.1
349	S	30.5	Very low	27.7	Very low	97 Å²	97	148.3 Å²	148.3	68%	0.678	83%	0.826	S	S	*	*			trans	-90	154.4	-155.3	47.1	0	0	0	0	115.2
350	P	29.9	Very low	27.6	Very low	124 Å²	124	152.1 Å²	152.1	81%	0.805	84%	0.835	S	S	*	*			trans	-75.7	143.8	169.7	32.3	-34.5	0	0	0	111.5
351	Q	31.4	Very low	27.6	Very low	198 Å²	198	148.8 Å²	148.8	93%	0.925	83%	0.832	S	S	*	*			trans	-119.8	161.7	158.1	-82.5	-155.9	-9.6	0	0	111.1
352	R	25.9	Very low	27.6	Very low	221 Å²	221	147.7 Å²	147.7	83%	0.834	84%	0.836	S	S	*	*			trans	-138.6	124.7	-154.3	-177.7	-177.6	-172.9	-177.7	3.5	111
353	N	26.6	Very low	27.3	Very low	140 Å²	140	151.4 Å²	151.4	75%	0.749	85%	0.846	S	S	*	*			trans	55.6	127.7	163.9	-59.1	15.1	0	0	0	118.2
354	K	28.9	Very low	27.3	Very low	210 Å²	210	149.8 Å²	149.8	91%	0.913	84%	0.841	S	S	*	*				-160.3	145.5	114.5	-109.8	167.1	-174.3	-178.8	0	112.8
355	V	23.5	Very low	27.2	Very low	128 Å²	128	149.2 Å²	149.2	78%	0.776	84%	0.84	S	S	*	*			trans	-85.3	146.5	168.9	173.5	0	0	0	0	108.8
356	C	24.8	Very low	27.4	Very low	127 Å²	127	151.2 Å²	151.2	86%	0.858	83%	0.833	S	S	*	*			trans	-157.8	145	151.6	-104.1	0	0	0	0	110.3
357	N	23.6	Very low	27.3	Very low	140 Å²	140	154.2 Å²	154.2	75%	0.749	83%	0.833	S	S	*	*			trans	-93.9	164.4	176.2	-85.8	2.2	0	0	0	112.1
358	N	24.8	Very low	27.5	Very low	142 Å²	142	159 Å²	159	76%	0.759	83%	0.829	S	S	*	*			trans	58	121	156.5	-63.6	4.7	0	0	0	119
359	Y	27.5	Very low	27.3	Very low	243 Å²	243	154.4 Å²	154.4	95%	0.953	82%	0.816	S	S	*	*				-145.4	148.9	125.3	-99.5	-71.7	0	0	0	110.7
360	Q	23.8	Very low	27.7	Very low	186 Å²	186	156.1 Å²	156.1	87%	0.869	82%	0.816	S	S	*	*			trans	-89.8	172.4	172.1	-68	172.1	-71.6	0	0	111.2
361	A	26.6	Very low	27.6	Very low	108 Å²	108	158.7 Å²	158.7	89%	0.893	82%	0.818	S	S	*	*			trans	75.3	136.8	166.9	0	0	0	0	0	117.1
362	G	26.8	Very low	27.5	Very low	71 Å²	71	153.8 Å²	153.8	73%	0.732	81%	0.811	S	S	*	*			trans	125	53.9	175.1	0	0	0	0	0	115.5	Q364	G362-Q364 PolarHBondContact O-N 3.39Å
363	L	25.8	Very low	28.3	Very low	189 Å²	189	150.7 Å²	150.7	99%	0.99	80%	0.799	S	S	*	*			trans	-71.9	80.9	166	-75.1	174.9	0	0	0	110.3
364	Q	26.7	Very low	28.7	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	79%	0.794	S	S	*	*			trans	-98.6	146.7	158.3	-70.1	-168	-13	0	0	109.3	G362 M366	G362-Q364 PolarHBondContact O-N 3.39Å; Q364-M366 PolarHBondContact O-N 2.96Å
365	P	27.7	Very low	29.1	Very low	130 Å²	130	145.6 Å²	145.6	84%	0.844	78%	0.784	S	S	*	*			trans	-61.6	109.7	174	-19.6	32.3	0	0	0	109.6	E367	P365-E367 PolarHBondContact O-N 2.88Å
366	M	29.5	Very low	29.9	Very low	152 Å²	152	143.8 Å²	143.8	75%	0.749	77%	0.774	S	S	*	*			trans	-74.3	92.1	179.3	-169.7	-173.9	-165.9	0	0	109.3	Q364 R368	Q364-M366 PolarHBondContact O-N 2.96Å; M366-R368 VanDerWaalsContact C-N 3.29Å; M366-R368 HydrophobicContact CG-CG 4.28Å; M366-R368 PolarHBondContact O-N 2.85Å; M366-R368 HydrophobicContact SD-CG 4.3Å
367	E	29.5	Very low	31	Very low	182 Å²	182	144.7 Å²	144.7	85%	0.85	76%	0.763	S	S	*	*			trans	-61.6	89.6	171.5	-169.6	-171.1	152.3	0	0	109.6	P365 A369	P365-E367 PolarHBondContact O-N 2.88Å; E367-A369 PolarHBondContact O-N 3.02Å
368	R	32.1	Very low	32.5	Very low	206 Å²	206	145.9 Å²	145.9	78%	0.777	76%	0.764	S	S	*	*			trans	-74.8	97.9	173.6	-66.7	-170.8	-172.1	176.7	5.6	108.2	M366 I370	M366-R368 VanDerWaalsContact C-N 3.29Å; M366-R368 HydrophobicContact CG-CG 4.28Å; M366-R368 PolarHBondContact O-N 2.85Å; M366-R368 HydrophobicContact SD-CG 4.3Å; R368-I370 PolarHBondContact O-N 2.85Å
369	A	28.6	Very low	34.9	Very low	77 Å²	77	143.3 Å²	143.3	64%	0.636	75%	0.75	S	S	*	*			trans	-43.8	136.9	167.6	0	0	0	0	0	110.2	E367 E371	E367-A369 PolarHBondContact O-N 3.02Å; A369-E371 VanDerWaalsContact C-N 3.3Å; A369-E371 PolarHBondContact O-N 2.89Å
370	I	37.9	Very low	37.6	Very low	132 Å²	132	133 Å²	133	68%	0.677	72%	0.717	S	S	*	*			trans	-73.1	88.1	-176.1	-55	176.5	0	0	0	108.6	R368 A372	R368-I370 PolarHBondContact O-N 2.85Å; I370-A372 PolarHBondContact O-N 2.93Å
371	E	27.1	Very low	40.9	Very low	178 Å²	178	124.3 Å²	124.3	83%	0.832	68%	0.677	S	S	*	*			trans	-54.9	124.8	170	-69.7	-168.2	140.8	0	0	109.2	A369 R373	A369-E371 VanDerWaalsContact C-N 3.3Å; A369-E371 PolarHBondContact O-N 2.89Å; E371-R373 PolarHBondContact O-N 3.4Å; E371-R373 VanDerWaalsContact O-N 3.12Å
372	A	29.6	Very low	44	Very low	95 Å²	95	120.1 Å²	120.1	79%	0.785	64%	0.64	S	S	*	*			trans	-59.7	118.6	171.5	0	0	0	0	0	107.9	I370 S374	I370-A372 PolarHBondContact O-N 2.93Å; A372-S374 PolarHBondContact O-N 3.15Å
373	R	43.1	Very low	47.3	Very low	156 Å²	156	116.8 Å²	116.8	59%	0.589	61%	0.605	S	S	*	*			trans	-46.2	109.5	-175.6	-78.5	-179.1	171.1	157.5	-1.2	109.9	E371 P446 D523	E371-R373 PolarHBondContact O-N 3.4Å; E371-R373 VanDerWaalsContact O-N 3.12Å; R373-P446 VanDerWaalsContact NH1-CD 3.28Å; R373-D523 IonicContact CZ-OD2 3.49Å; R373-D523 IonicContact NH1-OD2 3.55Å; R373-D523 IonicContact NH2-OD2 3.13Å; R373-D523 PolarHBondContact NH2-OD2 3.04Å
374	S	35.3	Very low	50.3	Low	92 Å²	92	109.1 Å²	109.1	64%	0.643	56%	0.563	S	S	*	*			trans	-58.3	145.8	171.1	54.7	0	0	0	0	109.2	A372 T376	A372-S374 PolarHBondContact O-N 3.15Å; S374-T376 PolarHBondContact O-N 3.47Å; S374-T376 PolarHBondContact O-OG1 3.33Å
375	E	37.7	Very low	53.3	Low	151 Å²	151	101.2 Å²	101.2	71%	0.706	53%	0.526	S	S	*	.			trans	-73.5	67.5	-173.9	-63.3	-165.7	144.9	0	0	112.7	K377	E375-K377 HydrophobicContact CB-CG 4.24Å; E375-K377 PolarHBondContact O-N 3.47Å; E375-K377 WeakPolarHBondContact OE2-CE 3.48Å; E375-K377 IonicContact OE2-NZ 3.59Å; E375-K377 PolarHBondContact OE2-NZ 3.49Å
376	T	38.9	Very low	56.5	Low	91 Å²	91	95 Å²	95	56%	0.558	49%	0.486	S	S	*	.			trans	-70.1	71.7	162.1	39.1	0	0	0	0	109.5	S374 Q378 L379	S374-T376 PolarHBondContact O-N 3.47Å; S374-T376 PolarHBondContact O-OG1 3.33Å; T376-Q378 PolarHBondContact O-N 3.05Å; T376-L379 PolarHBondContact O-N 3.11Å
377	K	48.4	Very low	59.4	Low	145 Å²	145	88.3 Å²	88.3	63%	0.63	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-50.5	-29.1	-176	-71.9	171.4	-177.8	166.6	0	113.4	E375 L379 G380	E375-K377 HydrophobicContact CB-CG 4.24Å; E375-K377 PolarHBondContact O-N 3.47Å; E375-K377 WeakPolarHBondContact OE2-CE 3.48Å; E375-K377 IonicContact OE2-NZ 3.59Å; E375-K377 PolarHBondContact OE2-NZ 3.49Å; K377-L379 PolarHBondContact O-N 2.97Å; K377-G380 PolarHBondContact O-N 3.22Å; K377-G380 VanDerWaalsContact O-N 3.1Å
378	Q	55.2	Low	62.3	Low	166 Å²	166	80.1 Å²	80.1	78%	0.776	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-54.1	-30.3	172.8	-68.8	175.3	-30.7	0	0	114.4	T376 S381	T376-Q378 PolarHBondContact O-N 3.05Å; Q378-S381 PolarHBondContact O-OG 2.66Å; Q378-S381 VanDerWaalsContact O-OG 3.06Å
379	L	76.1	Confident	64.9	Low	88 Å²	88	70.4 Å²	70.4	46%	0.461	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-87.7	-6.8	-179.8	-148.3	72.4	0	0	0	113.1	T376 K377 S381 L382 N408	T376-L379 PolarHBondContact O-N 3.11Å; K377-L379 PolarHBondContact O-N 2.97Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-L382 HydrophobicContact CD1-CD1 3.96Å; L379-L382 PolarHBondContact O-N 3.4Å; L379-N408 VanDerWaalsContact O-CB 3.27Å; L379-N408 WeakPolarHBondContact O-CB 3.26Å; L379-N408 PolarHBondContact O-ND2 3Å
380	G	84	Confident	67.5	Low	25 Å²	25	70.5 Å²	70.5	26%	0.258	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-30.7	179.4	0	0	0	0	0	113.6	K377 L382 A409	K377-G380 PolarHBondContact O-N 3.22Å; K377-G380 VanDerWaalsContact O-N 3.1Å; G380-L382 VanDerWaalsContact C-N 3.28Å; G380-L382 PolarHBondContact O-N 2.92Å; G380-A409 VanDerWaalsContact O-CB 3.28Å; G380-A409 WeakPolarHBondContact O-CB 3.02Å; G380-A409 PolarHBondContact O-N 3.16Å
381	S	91.6	Very high	69.6	Low	5 Å²	5	64.2 Å²	64.2	4%	0.035	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.8	178.4	49.7	0	0	0	0	114.2	A312 L331 Q378 L379 V383	A312-S381 CarbonylContact O-C 3.37Å; A312-S381 VanDerWaalsContact O-C 3.3Å; A312-S381 VanDerWaalsContact O-CB 3.31Å; A312-S381 WeakPolarHBondContact O-CB 2.83Å; A312-S381 PolarHBondContact O-OG 2.68Å; L331-S381 VanDerWaalsContact C-CB 3.49Å; L331-S381 VanDerWaalsContact CD1-O 3.31Å; L331-S381 WeakPolarHBondContact CD1-O 3.4Å; L331-S381 WeakPolarHBondContact O-CB 3.17Å; Q378-S381 PolarHBondContact O-OG 2.66Å; Q378-S381 VanDerWaalsContact O-OG 3.06Å; L379-S381 VanDerWaalsContact C-N 3.34Å; S381-V383 PolarHBondContact O-N 2.78Å
382	L	93.8	Very high	72.3	Confident	20 Å²	20	56.4 Å²	56.4	11%	0.105	30%	0.295	C	S	.	.			trans	-65.4	127	-176	-177.1	147	0	0	0	111.4	T296 A312 L379 G380 R384 T407 N408	T296-L382 HydrophobicContact CG2-CD1 4.1Å; T296-L382 HydrophobicContact CG2-CG 4.19Å; A312-L382 HydrophobicContact CB-CD1 4.44Å; A312-L382 PolarHBondContact O-N 3Å; L379-L382 HydrophobicContact CD1-CD1 3.96Å; L379-L382 PolarHBondContact O-N 3.4Å; G380-L382 VanDerWaalsContact C-N 3.28Å; G380-L382 PolarHBondContact O-N 2.92Å; L382-R384 VanDerWaalsContact CD2-CD 3.49Å; L382-R384 HydrophobicContact CD2-CG 3.88Å; L382-T407 WeakPolarHBondContact O-CA 3.06Å; L382-N408 HydrophobicContact CB-CB 4.06Å; L382-N408 HydrophobicContact CD2-CB 4.18Å; L382-N408 WeakPolarHBondContact O-CB 3.29Å; L382-N408 PolarHBondContact O-N 3.29Å
383	V	95.3	Very high	74.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122	177.1	-171.2	0	0	0	0	109.2	T296 S297 T311 G314 Y315 L331 S381 I386 V405	T296-V383 VanDerWaalsContact CB-O 3.28Å; T296-V383 WeakPolarHBondContact CB-O 3.47Å; T296-V383 PolarHBondContact OG1-O 3.43Å; S297-V383 VanDerWaalsContact OG-CG1 3.26Å; S297-V383 WeakPolarHBondContact OG-CG1 3.18Å; T311-V383 PolarHBondContact O-N 3.22Å; T311-V383 VanDerWaalsContact O-N 3.08Å; G314-V383 WeakPolarHBondContact O-CG2 3.33Å; Y315-V383 HydrophobicContact CD1-CG2 3.87Å; L331-V383 HydrophobicContact CD1-CG2 3.78Å; S381-V383 PolarHBondContact O-N 2.78Å; V383-I386 HydrophobicContact CG1-CD1 4.12Å; V383-I386 HydrophobicContact CG1-CG1 3.81Å; V383-V405 HydrophobicContact CG1-CG1 3.49Å; V383-V405 VanDerWaalsContact CG1-CG1 3.49Å
384	R	89.4	Confident	76.3	Confident	29 Å²	29	47.1 Å²	47.1	11%	0.109	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-34.4	-175.6	-69.6	-75.6	-73.3	-96.7	-4.8	112.3	L382 G406 N408 V447 S482 D523	L382-R384 VanDerWaalsContact CD2-CD 3.49Å; L382-R384 HydrophobicContact CD2-CG 3.88Å; R384-G406 PolarHBondContact N-O 2.72Å; R384-N408 HydrophobicContact CG-CB 4.02Å; R384-N408 PolarHBondContact NH1-OD1 2.84Å; R384-V447 WeakPolarHBondContact CB-O 3.22Å; R384-S482 PolarHBondContact NH2-OG 3.35Å; R384-S482 VanDerWaalsContact NH2-OG 3.09Å; R384-D523 IonicContact CZ-OD1 2.71Å; R384-D523 IonicContact NH1-OD1 3.85Å; R384-D523 IonicContact NH2-OD1 2.71Å; R384-D523 PolarHBondContact NH2-OD1 3.39Å
385	F	89.8	Confident	78.2	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.022	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156.5	172.3	82.9	-93.8	0	0	0	111.9	T387 W404 G406 V412 V447 L448 T449 V450	F385-T387 HydrophobicContact CD2-CG2 4.22Å; F385-T387 HydrophobicContact CE2-CG2 4Å; F385-W404 HydrophobicContact CE2-CB 4.18Å; F385-G406 PolarHBondContact N-O 2.78Å; F385-G406 PolarHBondContact O-N 3.12Å; F385-V412 HydrophobicContact CZ-CG1 4.28Å; F385-V447 HydrophobicContact CD1-CG1 4.39Å; F385-V447 HydrophobicContact CE1-CB 4.07Å; F385-V447 HydrophobicContact CE1-CG1 3.68Å; F385-L448 WeakPolarHBondContact CB-O 3.28Å; F385-T449 VanDerWaalsContact CD1-CA 3.49Å; F385-V450 HydrophobicContact CE1-CG1 4.07Å; F385-V450 HydrophobicContact CE2-CG1 4.39Å; F385-V450 HydrophobicContact CE2-CG2 3.64Å; F385-V450 HydrophobicContact CZ-CB 4.13Å; F385-V450 HydrophobicContact CZ-CG1 3.56Å; F385-V450 HydrophobicContact CZ-CG2 3.68Å
386	I	94.2	Very high	79.8	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.7	169	-69.3	178.4	0	0	0	106.5	S297 A299 A308 F309 G310 V383 L403 W404 V405	S297-I386 WeakPolarHBondContact OG-CD1 3.38Å; S297-I386 WeakPolarHBondContact OG-CG1 3.43Å; A299-I386 HydrophobicContact CB-CG2 3.91Å; A308-I386 HydrophobicContact CB-CG2 3.52Å; F309-I386 WeakPolarHBondContact O-CD1 3.43Å; G310-I386 VanDerWaalsContact N-CD1 3.33Å; V383-I386 HydrophobicContact CG1-CD1 4.12Å; V383-I386 HydrophobicContact CG1-CG1 3.81Å; I386-L403 HydrophobicContact CG2-CD1 3.59Å; I386-W404 CarbonylContact C-O 3.58Å; I386-W404 WeakPolarHBondContact CA-O 3.37Å; I386-V405 HydrophobicContact CG1-CB 4.48Å; I386-V405 HydrophobicContact CG1-CG1 3.95Å; I386-V405 HydrophobicContact CG1-CG2 4.13Å
387	T	90.8	Very high	81.4	Confident	10 Å²	10	45 Å²	45	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	144.4	173.6	-172	0	0	0	0	112.2	F385 L403 W404 V450 F452 P476	F385-T387 HydrophobicContact CD2-CG2 4.22Å; F385-T387 HydrophobicContact CE2-CG2 4Å; T387-L403 VanDerWaalsContact O-CD1 3.25Å; T387-L403 WeakPolarHBondContact O-CD1 3.28Å; T387-W404 HydrophobicContact CG2-CB 3.87Å; T387-W404 PolarHBondContact N-O 3.26Å; T387-W404 PolarHBondContact O-N 3.44Å; T387-V450 HydrophobicContact CG2-CG2 4Å; T387-F452 HydrophobicContact CG2-CE2 4.47Å; T387-P476 HydrophobicContact CG2-CB 4.32Å; T387-P476 HydrophobicContact CG2-CG 3.82Å; T387-P476 VanDerWaalsContact OG1-CB 3.32Å; T387-P476 WeakPolarHBondContact OG1-CB 3.24Å; T387-P476 WeakPolarHBondContact OG1-CG 3.11Å
388	F	89.5	Confident	82.9	Confident	11 Å²	11	41.5 Å²	41.5	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	152.7	165.1	-64.3	-65.3	0	0	0	110.8	A299 D301 W304 L306 A308 T402 L403 L417	A299-F388 HydrophobicContact CB-CD2 3.92Å; A299-F388 HydrophobicContact CB-CE2 4.03Å; D301-F388 HydrophobicContact CB-CB 4.12Å; D301-F388 HydrophobicContact CB-CD2 3.58Å; D301-F388 HydrophobicContact CB-CE2 4.09Å; D301-F388 HydrophobicContact CB-CG 3.85Å; W304-F388 HydrophobicContact CE3-CB 4.43Å; W304-F388 HydrophobicContact CE3-CD1 4.03Å; W304-F388 HydrophobicContact CE3-CG 4.34Å; W304-F388 HydrophobicContact CH2-CB 4.29Å; W304-F388 HydrophobicContact CZ3-CB 3.71Å; W304-F388 AromaticContact CZ3-CD1 3.75Å; W304-F388 HydrophobicContact CZ3-CD1 3.75Å; W304-F388 HydrophobicContact CZ3-CG 4Å; L306-F388 HydrophobicContact CB-CE1 4.19Å; L306-F388 HydrophobicContact CB-CE2 4.34Å; L306-F388 HydrophobicContact CB-CZ 3.73Å; L306-F388 HydrophobicContact CD1-CE1 4.26Å; A308-F388 HydrophobicContact CB-CE1 4.31Å; A308-F388 HydrophobicContact CB-CE2 4.12Å; A308-F388 HydrophobicContact CB-CZ 3.6Å; F388-T402 WeakPolarHBondContact CA-O 3.32Å; F388-L403 HydrophobicContact CD1-CB 4.12Å; F388-L403 HydrophobicContact CD1-CD1 3.71Å; F388-L403 HydrophobicContact CD1-CG 4.47Å; F388-L403 HydrophobicContact CE1-CB 4.17Å; F388-L403 HydrophobicContact CE1-CD1 3.65Å; F388-L403 HydrophobicContact CE1-CD2 4.44Å; F388-L403 HydrophobicContact CE1-CG 4.29Å; F388-L403 HydrophobicContact CG-CD1 4.35Å; F388-L403 HydrophobicContact CZ-CD1 4.24Å; F388-L417 HydrophobicContact CD1-CD1 3.8Å; F388-L417 HydrophobicContact CE1-CD1 3.89Å
389	A	86.2	Confident	84.1	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	146.2	175	0	0	0	0	0	113	V391 T402 F452 W474	A389-V391 HydrophobicContact CB-CG1 4.46Å; A389-V391 HydrophobicContact CB-CG2 4.32Å; A389-T402 PolarHBondContact N-O 2.78Å; A389-T402 PolarHBondContact O-N 2.97Å; A389-T402 PolarHBondContact O-OG1 3.5Å; A389-F452 HydrophobicContact CB-CD2 3.82Å; A389-F452 HydrophobicContact CB-CE2 3.67Å; A389-F452 HydrophobicContact CB-CZ 4.3Å; A389-W474 HydrophobicContact CB-CE3 4.25Å
390	R	83.7	Confident	84.6	Confident	80 Å²	80	32.7 Å²	32.7	30%	0.302	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	93	168.3	-66.5	-179.6	92.7	135.6	-0	110.9	W304 S400 E422 W474	W304-R390 HydrophobicContact CH2-CG 4.11Å; W304-R390 HydrophobicContact CZ2-CG 3.54Å; R390-S400 WeakPolarHBondContact CA-O 3.39Å; R390-E422 IonicContact NH1-OE1 2.83Å; R390-W474 HydrophobicContact CB-CH2 4.26Å; R390-W474 HydrophobicContact CB-CZ2 3.81Å; R390-W474 HydrophobicContact CG-CH2 3.85Å; R390-W474 HydrophobicContact CG-CZ2 3.77Å
391	V	82.3	Confident	84.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.7	-177.5	-69.4	0	0	0	0	112.8	A389 I393 S400 T402 W404 F452 W516	A389-V391 HydrophobicContact CB-CG1 4.46Å; A389-V391 HydrophobicContact CB-CG2 4.32Å; V391-I393 HydrophobicContact CG2-CG1 4.24Å; V391-I393 PolarHBondContact O-N 2.76Å; V391-S400 PolarHBondContact N-O 2.74Å; V391-S400 VanDerWaalsContact N-O 3.15Å; V391-T402 HydrophobicContact CG2-CG2 4.21Å; V391-T402 WeakPolarHBondContact CG2-OG1 3.47Å; V391-W404 HydrophobicContact CG2-CZ2 4.17Å; V391-F452 HydrophobicContact CG1-CB 3.97Å; V391-F452 HydrophobicContact CG1-CD1 3.85Å; V391-F452 HydrophobicContact CG1-CG 3.89Å; V391-F452 HydrophobicContact CG2-CD1 4.29Å; V391-F452 HydrophobicContact CG2-CE1 4.22Å; V391-W516 HydrophobicContact CG1-CD2 4.13Å; V391-W516 HydrophobicContact CG1-CE3 4.26Å; V391-W516 HydrophobicContact CG1-CG 4.42Å
392	S	82.6	Confident	84.9	Confident	14 Å²	14	32.2 Å²	32.2	10%	0.098	20%	0.196	C	C	.	.			trans	-85.2	109.6	173.9	-176.8	0	0	0	0	111.2	V394 H397	S392-V394 PolarHBondContact OG-O 3.14Å; S392-H397 WeakPolarHBondContact CB-O 3.43Å; S392-H397 PolarHBondContact OG-O 3.1Å
393	I	80.1	Confident	84.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.191	C	C	.	.			trans	-94.1	-28	176.5	-65.5	-179	0	0	0	112	V391 T402 W404 A414 A436 K437 P532	V391-I393 HydrophobicContact CG2-CG1 4.24Å; V391-I393 PolarHBondContact O-N 2.76Å; I393-T402 HydrophobicContact CD1-CG2 3.4Å; I393-T402 VanDerWaalsContact CD1-CG2 3.4Å; I393-T402 HydrophobicContact CG1-CG2 3.92Å; I393-W404 HydrophobicContact CD1-CH2 4.16Å; I393-W404 HydrophobicContact CD1-CZ2 3.39Å; I393-W404 HydrophobicContact CG1-CH2 4.37Å; I393-W404 HydrophobicContact CG1-CZ2 3.68Å; I393-A414 HydrophobicContact CD1-CB 4.07Å; I393-A436 HydrophobicContact CG2-CB 3.8Å; I393-K437 HydrophobicContact CG2-CD 3.92Å; I393-K437 HydrophobicContact CG2-CG 4.06Å; I393-K437 WeakPolarHBondContact O-CE 3.47Å; I393-K437 PolarHBondContact O-NZ 3.39Å; I393-P532 VanDerWaalsContact O-CB 3.3Å; I393-P532 WeakPolarHBondContact O-CB 3.44Å
394	V	78.1	Confident	84.8	Confident	54 Å²	54	31.3 Å²	31.3	33%	0.327	19%	0.191	S	C	.	.	S	Bend	trans	-104.3	124.4	-176.2	-170.5	0	0	0	0	109.4	S392 G396 H397	S392-V394 PolarHBondContact OG-O 3.14Å; V394-G396 PolarHBondContact O-N 3.4Å; V394-H397 HydrophobicContact CB-CB 4.27Å; V394-H397 VanDerWaalsContact CG1-CD2 3.41Å; V394-H397 WeakPolarHBondContact CG1-CD2 3.38Å; V394-H397 PolarHBondContact O-N 3.23Å; V394-H397 VanDerWaalsContact O-N 3.16Å
395	P	74.4	Confident	85	Confident	88 Å²	88	30 Å²	30	57%	0.571	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	129.1	179	-25.4	34.6	0	0	0	112.9	P532	P395-P532 HydrophobicContact CB-CG 4.16Å; P395-P532 HydrophobicContact CG-CB 4.14Å; P395-P532 HydrophobicContact CG-CG 4.04Å
396	G	72.1	Confident	85.1	Confident	87 Å²	87	29.7 Å²	29.7	90%	0.897	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	-3.4	179.4	0	0	0	0	0	115.5	V394	V394-G396 PolarHBondContact O-N 3.4Å
397	H	71.5	Confident	85	Confident	116 Å²	116	29.9 Å²	29.9	54%	0.537	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-96.5	150.5	175.4	-68.9	-107.5	0	0	0	112.1	S392 V394	S392-H397 WeakPolarHBondContact CB-O 3.43Å; S392-H397 PolarHBondContact OG-O 3.1Å; V394-H397 HydrophobicContact CB-CB 4.27Å; V394-H397 VanDerWaalsContact CG1-CD2 3.41Å; V394-H397 WeakPolarHBondContact CG1-CD2 3.38Å; V394-H397 PolarHBondContact O-N 3.23Å; V394-H397 VanDerWaalsContact O-N 3.16Å
398	S	79.8	Confident	85	Confident	71 Å²	71	30.5 Å²	30.5	50%	0.497	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-62.7	170.6	173.2	49.2	0	0	0	0	113.1	S400	S398-S400 PolarHBondContact O-N 2.77Å; S398-S400 PolarHBondContact O-OG 2.89Å
399	L	81.6	Confident	85	Confident	48 Å²	48	31.9 Å²	31.9	25%	0.251	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-56.8	125.5	169.8	-56.3	-180	0	0	0	109.3	W516	L399-W516 HydrophobicContact CD1-CZ2 4.3Å; L399-W516 HydrophobicContact CD2-CZ2 3.81Å; L399-W516 VanDerWaalsContact CD2-NE1 3.29Å
400	S	85.3	Confident	85.1	Confident	20 Å²	20	31.9 Å²	31.9	14%	0.14	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.4	-178.2	24.6	0	0	0	0	110.2	R390 V391 S398 T402 L416	R390-S400 WeakPolarHBondContact CA-O 3.39Å; V391-S400 PolarHBondContact N-O 2.74Å; V391-S400 VanDerWaalsContact N-O 3.15Å; S398-S400 PolarHBondContact O-N 2.77Å; S398-S400 PolarHBondContact O-OG 2.89Å; S400-T402 PolarHBondContact O-N 2.76Å; S400-L416 WeakPolarHBondContact OG-CD1 3.38Å
401	P	90	Very high	85.4	Confident	21 Å²	21	29 Å²	29	14%	0.136	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	130.6	166.2	-30.6	40.5	0	0	0	111.8	W304 L417 V419	W304-P401 HydrophobicContact CD2-CB 3.99Å; W304-P401 HydrophobicContact CD2-CG 4.42Å; W304-P401 HydrophobicContact CE3-CB 4.03Å; W304-P401 HydrophobicContact CH2-CB 3.61Å; W304-P401 HydrophobicContact CH2-CG 4.37Å; W304-P401 HydrophobicContact CZ2-CB 3.53Å; W304-P401 HydrophobicContact CZ2-CG 3.8Å; W304-P401 HydrophobicContact CZ3-CB 3.82Å; P401-L417 HydrophobicContact CB-CB 3.86Å; P401-L417 HydrophobicContact CB-CD1 4.48Å; P401-L417 PolarHBondContact O-N 3.45Å; P401-V419 HydrophobicContact CB-CG2 4.16Å; P401-V419 HydrophobicContact CG-CG2 4.4Å
402	T	91.5	Very high	85.8	Confident	0 Å²	0	29 Å²	29	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.1	-179.2	65.8	0	0	0	0	111.7	F388 A389 V391 I393 S400 W404 Y415	F388-T402 WeakPolarHBondContact CA-O 3.32Å; A389-T402 PolarHBondContact N-O 2.78Å; A389-T402 PolarHBondContact O-N 2.97Å; A389-T402 PolarHBondContact O-OG1 3.5Å; V391-T402 HydrophobicContact CG2-CG2 4.21Å; V391-T402 WeakPolarHBondContact CG2-OG1 3.47Å; I393-T402 HydrophobicContact CD1-CG2 3.4Å; I393-T402 VanDerWaalsContact CD1-CG2 3.4Å; I393-T402 HydrophobicContact CG1-CG2 3.92Å; S400-T402 PolarHBondContact O-N 2.76Å; T402-W404 PolarHBondContact OG1-NE1 3.39Å; T402-Y415 WeakPolarHBondContact CA-O 3.44Å; T402-Y415 WeakPolarHBondContact CB-O 3.28Å
403	L	93.8	Very high	86.4	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.5	172.8	174.7	67.5	0	0	0	110.1	A308 V317 I386 T387 F388 V405 A414 Y415 L417	A308-L403 HydrophobicContact CB-CD1 4.06Å; A308-L403 HydrophobicContact CB-CD2 4.21Å; V317-L403 HydrophobicContact CG2-CD2 3.25Å; I386-L403 HydrophobicContact CG2-CD1 3.59Å; T387-L403 VanDerWaalsContact O-CD1 3.25Å; T387-L403 WeakPolarHBondContact O-CD1 3.28Å; F388-L403 HydrophobicContact CD1-CB 4.12Å; F388-L403 HydrophobicContact CD1-CD1 3.71Å; F388-L403 HydrophobicContact CD1-CG 4.47Å; F388-L403 HydrophobicContact CE1-CB 4.17Å; F388-L403 HydrophobicContact CE1-CD1 3.65Å; F388-L403 HydrophobicContact CE1-CD2 4.44Å; F388-L403 HydrophobicContact CE1-CG 4.29Å; F388-L403 HydrophobicContact CG-CD1 4.35Å; F388-L403 HydrophobicContact CZ-CD1 4.24Å; L403-V405 HydrophobicContact CD1-CG2 4.49Å; L403-V405 HydrophobicContact CD2-CG2 4.21Å; L403-V405 HydrophobicContact CG-CG2 4.06Å; L403-A414 CarbonylContact O-C 3.47Å; L403-A414 WeakPolarHBondContact O-CA 3.47Å; L403-Y415 PolarHBondContact N-O 3.13Å; L403-Y415 VanDerWaalsContact N-O 3.07Å; L403-Y415 PolarHBondContact O-N 3.22Å; L403-L417 HydrophobicContact CB-CD1 4.12Å; L403-L417 HydrophobicContact CB-CD2 4.41Å; L403-L417 HydrophobicContact CB-CG 4.35Å
404	W	93.3	Very high	87	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.9	179.8	-63.1	78.1	0	0	0	110.4	F385 I386 T387 V391 I393 T402 V412 F413 A414 I439 V450 F452 F518 L531	F385-W404 HydrophobicContact CE2-CB 4.18Å; I386-W404 CarbonylContact C-O 3.58Å; I386-W404 WeakPolarHBondContact CA-O 3.37Å; T387-W404 HydrophobicContact CG2-CB 3.87Å; T387-W404 PolarHBondContact N-O 3.26Å; T387-W404 PolarHBondContact O-N 3.44Å; V391-W404 HydrophobicContact CG2-CZ2 4.17Å; I393-W404 HydrophobicContact CD1-CH2 4.16Å; I393-W404 HydrophobicContact CD1-CZ2 3.39Å; I393-W404 HydrophobicContact CG1-CH2 4.37Å; I393-W404 HydrophobicContact CG1-CZ2 3.68Å; T402-W404 PolarHBondContact OG1-NE1 3.39Å; W404-V412 HydrophobicContact CE3-CG1 3.88Å; W404-V412 HydrophobicContact CZ3-CG1 4.46Å; W404-F413 WeakPolarHBondContact CA-O 3.46Å; W404-A414 HydrophobicContact CD2-CB 3.78Å; W404-A414 HydrophobicContact CE3-CB 3.47Å; W404-A414 VanDerWaalsContact CE3-CB 3.47Å; W404-A414 HydrophobicContact CH2-CB 3.77Å; W404-A414 HydrophobicContact CZ2-CB 4.06Å; W404-A414 HydrophobicContact CZ3-CB 3.45Å; W404-A414 VanDerWaalsContact CZ3-CB 3.45Å; W404-I439 HydrophobicContact CZ3-CD1 4.07Å; W404-V450 HydrophobicContact CB-CG2 4.14Å; W404-F452 AromaticContact CD1-CZ 3.56Å; W404-F452 HydrophobicContact CD2-CE1 4.09Å; W404-F452 AromaticContact CD2-CZ 3.64Å; W404-F452 HydrophobicContact CD2-CZ 3.64Å; W404-F452 AromaticContact CE2-CE1 3.57Å; W404-F452 AromaticContact CE2-CZ 3.45Å; W404-F452 VanDerWaalsContact CE2-CZ 3.45Å; W404-F452 HydrophobicContact CE3-CZ 4.36Å; W404-F452 HydrophobicContact CG-CE2 4.49Å; W404-F452 AromaticContact CG-CZ 3.7Å; W404-F452 HydrophobicContact CG-CZ 3.7Å; W404-F452 HydrophobicContact CH2-CE1 4.2Å; W404-F452 AromaticContact CZ2-CE1 3.62Å; W404-F452 HydrophobicContact CZ2-CE1 3.62Å; W404-F452 HydrophobicContact CZ2-CZ 4.02Å; W404-F452 AromaticContact NE1-CE1 3.83Å; W404-F452 AromaticContact NE1-CZ 3.43Å; W404-F518 HydrophobicContact CD2-CE2 4.36Å; W404-F518 AromaticContact CE3-CE2 3.62Å; W404-F518 HydrophobicContact CE3-CE2 3.62Å; W404-F518 AromaticContact CE3-CZ 3.74Å; W404-F518 HydrophobicContact CE3-CZ 3.74Å; W404-F518 HydrophobicContact CH2-CD2 4.18Å; W404-F518 HydrophobicContact CH2-CE1 4.44Å; W404-F518 AromaticContact CH2-CE2 3.83Å; W404-F518 HydrophobicContact CH2-CE2 3.83Å; W404-F518 AromaticContact CH2-CZ 3.99Å; W404-F518 HydrophobicContact CH2-CZ 3.99Å; W404-F518 HydrophobicContact CZ3-CD2 4.14Å; W404-F518 AromaticContact CZ3-CE1 3.93Å; W404-F518 HydrophobicContact CZ3-CE1 3.93Å; W404-F518 AromaticContact CZ3-CE2 3.33Å; W404-F518 HydrophobicContact CZ3-CE2 3.33Å; W404-F518 AromaticContact CZ3-CZ 3.23Å; W404-F518 HydrophobicContact CZ3-CZ 3.23Å; W404-L531 HydrophobicContact CH2-CD1 4.18Å; W404-L531 HydrophobicContact CH2-CD2 4.17Å; W404-L531 HydrophobicContact CZ2-CD1 4.08Å
405	V	95.4	Very high	87.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.8	-174.3	-175.5	0	0	0	0	110.2	Y315 V383 I386 L403 V412 F413	Y315-V405 HydrophobicContact CD1-CG1 3.66Å; Y315-V405 HydrophobicContact CD2-CG1 4.3Å; Y315-V405 HydrophobicContact CD2-CG2 4.04Å; Y315-V405 HydrophobicContact CE1-CB 4.28Å; Y315-V405 HydrophobicContact CE1-CG1 3.66Å; Y315-V405 HydrophobicContact CE2-CB 4.34Å; Y315-V405 HydrophobicContact CE2-CG1 4.32Å; Y315-V405 HydrophobicContact CE2-CG2 3.86Å; Y315-V405 HydrophobicContact CG-CG1 3.97Å; V383-V405 HydrophobicContact CG1-CG1 3.49Å; V383-V405 VanDerWaalsContact CG1-CG1 3.49Å; I386-V405 HydrophobicContact CG1-CB 4.48Å; I386-V405 HydrophobicContact CG1-CG1 3.95Å; I386-V405 HydrophobicContact CG1-CG2 4.13Å; L403-V405 HydrophobicContact CD1-CG2 4.49Å; L403-V405 HydrophobicContact CD2-CG2 4.21Å; L403-V405 HydrophobicContact CG-CG2 4.06Å; V405-V412 CarbonylContact O-C 3.58Å; V405-V412 WeakPolarHBondContact O-CA 3.34Å; V405-F413 HydrophobicContact CB-CB 4.46Å; V405-F413 PolarHBondContact N-O 3.21Å; V405-F413 PolarHBondContact O-N 3.06Å
406	G	91.3	Very high	88.7	Confident	0 Å²	0	24 Å²	24	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.1	179.4	0	0	0	0	0	113.4	R384 F385	R384-G406 PolarHBondContact N-O 2.72Å; F385-G406 PolarHBondContact N-O 2.78Å; F385-G406 PolarHBondContact O-N 3.12Å
407	T	92.2	Very high	89.6	Confident	4 Å²	4	20 Å²	20	3%	0.025	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	159.6	179.6	72.9	0	0	0	0	113.3	L331 L382 A409 G410 V411 F413 V447	L331-T407 HydrophobicContact CD1-CG2 3.62Å; L382-T407 WeakPolarHBondContact O-CA 3.06Å; T407-A409 PolarHBondContact O-N 2.86Å; T407-A409 PolarHBondContact OG1-N 2.83Å; T407-G410 PolarHBondContact O-N 2.77Å; T407-V411 HydrophobicContact CG2-CB 4.47Å; T407-V411 PolarHBondContact N-O 3.5Å; T407-V411 WeakPolarHBondContact OG1-CB 3.31Å; T407-V411 PolarHBondContact OG1-N 2.84Å; T407-V411 VanDerWaalsContact OG1-N 3.1Å; T407-V411 PolarHBondContact OG1-O 3.09Å; T407-F413 HydrophobicContact CG2-CD2 4.29Å; T407-F413 HydrophobicContact CG2-CE2 3.77Å; T407-V447 PolarHBondContact O-N 3.4Å; T407-V447 VanDerWaalsContact O-N 3.16Å
408	N	90.5	Very high	90.6	Very high	23 Å²	23	19.6 Å²	19.6	12%	0.123	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.8	173	-165.2	63.4	0	0	0	112.9	L379 L382 R384 G410 P446	L379-N408 VanDerWaalsContact O-CB 3.27Å; L379-N408 WeakPolarHBondContact O-CB 3.26Å; L379-N408 PolarHBondContact O-ND2 3Å; L382-N408 HydrophobicContact CB-CB 4.06Å; L382-N408 HydrophobicContact CD2-CB 4.18Å; L382-N408 WeakPolarHBondContact O-CB 3.29Å; L382-N408 PolarHBondContact O-N 3.29Å; R384-N408 HydrophobicContact CG-CB 4.02Å; R384-N408 PolarHBondContact NH1-OD1 2.84Å; N408-G410 VanDerWaalsContact C-N 3.25Å; N408-G410 PolarHBondContact O-N 3.1Å; N408-P446 WeakPolarHBondContact O-CA 3.44Å; N408-P446 WeakPolarHBondContact O-CG 3.46Å; N408-P446 WeakPolarHBondContact OD1-CB 3.25Å; N408-P446 VanDerWaalsContact OD1-CG 3.24Å; N408-P446 WeakPolarHBondContact OD1-CG 3.25Å
409	A	89.8	Confident	91	Very high	41 Å²	41	17.9 Å²	17.9	34%	0.339	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	8.9	170.5	0	0	0	0	0	114.7	G380 T407 A444	G380-A409 VanDerWaalsContact O-CB 3.28Å; G380-A409 WeakPolarHBondContact O-CB 3.02Å; G380-A409 PolarHBondContact O-N 3.16Å; T407-A409 PolarHBondContact O-N 2.86Å; T407-A409 PolarHBondContact OG1-N 2.83Å; A409-A444 CarbonylContact C-O 3.4Å
410	G	87.9	Confident	91.1	Very high	1 Å²	1	17 Å²	17	1%	0.01	10%	0.099	C	C	.	.	S	Bend	trans	71.1	36.2	178.8	0	0	0	0	0	113.9	T407 N408 L441 A445	T407-G410 PolarHBondContact O-N 2.77Å; N408-G410 VanDerWaalsContact C-N 3.25Å; N408-G410 PolarHBondContact O-N 3.1Å; G410-L441 VanDerWaalsContact O-CB 3.24Å; G410-L441 WeakPolarHBondContact O-CB 3.47Å; G410-L441 WeakPolarHBondContact O-CG 3.35Å; G410-L441 PolarHBondContact O-N 2.82Å; G410-A445 WeakPolarHBondContact CA-O 3.27Å
411	V	90.9	Very high	90.4	Very high	20 Å²	20	22.3 Å²	22.3	12%	0.121	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.9	172.3	-171.7	0	0	0	0	109.2	T407 F413 E438 I439 R440	T407-V411 HydrophobicContact CG2-CB 4.47Å; T407-V411 PolarHBondContact N-O 3.5Å; T407-V411 WeakPolarHBondContact OG1-CB 3.31Å; T407-V411 PolarHBondContact OG1-N 2.84Å; T407-V411 VanDerWaalsContact OG1-N 3.1Å; T407-V411 PolarHBondContact OG1-O 3.09Å; V411-F413 HydrophobicContact CB-CE2 4.47Å; V411-F413 HydrophobicContact CG1-CD2 4.43Å; V411-F413 HydrophobicContact CG1-CE1 4.26Å; V411-F413 HydrophobicContact CG1-CE2 4.04Å; V411-F413 HydrophobicContact CG1-CZ 3.94Å; V411-E438 HydrophobicContact CG1-CG 3.64Å; V411-I439 WeakPolarHBondContact CA-O 3.49Å; V411-R440 HydrophobicContact CG1-CG 4.2Å; V411-R440 HydrophobicContact CG2-CG 4.13Å
412	V	90.6	Very high	88.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.1	167.7	-173.4	0	0	0	0	109.1	F385 W404 V405 I439 V447 V450 I520	F385-V412 HydrophobicContact CZ-CG1 4.28Å; W404-V412 HydrophobicContact CE3-CG1 3.88Å; W404-V412 HydrophobicContact CZ3-CG1 4.46Å; V405-V412 CarbonylContact O-C 3.58Å; V405-V412 WeakPolarHBondContact O-CA 3.34Å; V412-I439 HydrophobicContact CB-CB 4.26Å; V412-I439 PolarHBondContact N-O 2.98Å; V412-I439 PolarHBondContact O-N 3.08Å; V412-V447 HydrophobicContact CG2-CB 4.31Å; V412-V447 HydrophobicContact CG2-CG1 3.88Å; V412-V447 HydrophobicContact CG2-CG2 3.85Å; V412-V450 HydrophobicContact CG1-CG1 4.41Å; V412-I520 HydrophobicContact CG2-CD1 4.47Å
413	F	94.3	Very high	87.1	Confident	11 Å²	11	35.2 Å²	35.2	5%	0.048	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.5	168.2	-57.1	-86.1	0	0	0	109.3	Y315 L331 W404 V405 T407 V411 Y415 L435 E438	Y315-F413 AromaticContact CE1-CD2 4Å; Y315-F413 HydrophobicContact CE1-CD2 4Å; Y315-F413 HydrophobicContact CE1-CE2 4.2Å; Y315-F413 WeakPolarHBondContact OH-CB 3.38Å; Y315-F413 WeakPolarHBondContact OH-CD2 3.45Å; Y315-F413 WeakPolarHBondContact OH-CG 3.39Å; L331-F413 HydrophobicContact CD1-CE2 4.48Å; L331-F413 HydrophobicContact CD2-CE2 3.59Å; L331-F413 HydrophobicContact CD2-CZ 3.65Å; W404-F413 WeakPolarHBondContact CA-O 3.46Å; V405-F413 HydrophobicContact CB-CB 4.46Å; V405-F413 PolarHBondContact N-O 3.21Å; V405-F413 PolarHBondContact O-N 3.06Å; T407-F413 HydrophobicContact CG2-CD2 4.29Å; T407-F413 HydrophobicContact CG2-CE2 3.77Å; V411-F413 HydrophobicContact CB-CE2 4.47Å; V411-F413 HydrophobicContact CG1-CD2 4.43Å; V411-F413 HydrophobicContact CG1-CE1 4.26Å; V411-F413 HydrophobicContact CG1-CE2 4.04Å; V411-F413 HydrophobicContact CG1-CZ 3.94Å; F413-Y415 HydrophobicContact CB-CD2 4.42Å; F413-Y415 HydrophobicContact CB-CE2 3.7Å; F413-L435 HydrophobicContact CB-CD1 4.09Å; F413-L435 HydrophobicContact CD1-CD1 4Å; F413-E438 HydrophobicContact CD1-CB 4.3Å; F413-E438 HydrophobicContact CD1-CG 3.84Å; F413-E438 HydrophobicContact CE1-CG 3.71Å; F413-E438 WeakPolarHBondContact CE1-OE2 3.45Å
414	A	92.2	Very high	85.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.9	175.8	0	0	0	0	0	109.6	I393 L403 W404 A436 K437	I393-A414 HydrophobicContact CD1-CB 4.07Å; L403-A414 CarbonylContact O-C 3.47Å; L403-A414 WeakPolarHBondContact O-CA 3.47Å; W404-A414 HydrophobicContact CD2-CB 3.78Å; W404-A414 HydrophobicContact CE3-CB 3.47Å; W404-A414 VanDerWaalsContact CE3-CB 3.47Å; W404-A414 HydrophobicContact CH2-CB 3.77Å; W404-A414 HydrophobicContact CZ2-CB 4.06Å; W404-A414 HydrophobicContact CZ3-CB 3.45Å; W404-A414 VanDerWaalsContact CZ3-CB 3.45Å; A414-A436 WeakPolarHBondContact O-CA 3.23Å; A414-A436 PolarHBondContact O-N 2.93Å; A414-K437 HydrophobicContact CB-CB 4.25Å; A414-K437 PolarHBondContact N-O 2.76Å; A414-K437 PolarHBondContact O-N 2.93Å
415	Y	94.7	Very high	83.3	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.9	-177.3	-65.3	-98.5	0	0	0	110.8	Y315 L327 R329 T402 L403 F413 C433 I434 L435	Y315-Y415 AromaticContact CE2-CE2 3.82Å; Y315-Y415 HydrophobicContact CE2-CE2 3.82Å; Y315-Y415 WeakPolarHBondContact OH-CE2 3.35Å; Y315-Y415 PolarHBondContact OH-OH 2.82Å; L327-Y415 HydrophobicContact CD1-CE1 4.46Å; L327-Y415 HydrophobicContact CD2-CD1 3.99Å; L327-Y415 HydrophobicContact CD2-CE1 3.44Å; L327-Y415 VanDerWaalsContact CD2-CE1 3.44Å; L327-Y415 HydrophobicContact CD2-CE2 4.14Å; R329-Y415 PolarHBondContact NE-OH 2.79Å; R329-Y415 PolarHBondContact NH1-OH 2.72Å; T402-Y415 WeakPolarHBondContact CA-O 3.44Å; T402-Y415 WeakPolarHBondContact CB-O 3.28Å; L403-Y415 PolarHBondContact N-O 3.13Å; L403-Y415 VanDerWaalsContact N-O 3.07Å; L403-Y415 PolarHBondContact O-N 3.22Å; F413-Y415 HydrophobicContact CB-CD2 4.42Å; F413-Y415 HydrophobicContact CB-CE2 3.7Å; Y415-C433 WeakPolarHBondContact CD1-SG 2.91Å; Y415-I434 CarbonylContact C-O 3.59Å; Y415-I434 VanDerWaalsContact CA-O 3.23Å; Y415-I434 WeakPolarHBondContact CA-O 3.16Å; Y415-L435 VanDerWaalsContact CD1-CA 3.5Å; Y415-L435 HydrophobicContact CD1-CB 4.02Å; Y415-L435 HydrophobicContact CD1-CD1 4.21Å; Y415-L435 HydrophobicContact CD2-CD1 4.37Å; Y415-L435 HydrophobicContact CE1-CB 3.75Å; Y415-L435 HydrophobicContact CE1-CD1 3.79Å; Y415-L435 HydrophobicContact CE1-CG 4.39Å; Y415-L435 HydrophobicContact CE2-CD1 3.97Å; Y415-L435 HydrophobicContact CG-CD1 4.47Å
416	L	93.5	Very high	81.6	Confident	39 Å²	39	48 Å²	48	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127	161.7	-179.9	65.6	0	0	0	108.1	S400 I434 A436	S400-L416 WeakPolarHBondContact OG-CD1 3.38Å; L416-I434 PolarHBondContact N-O 3.12Å; L416-I434 PolarHBondContact O-N 3.28Å; L416-A436 HydrophobicContact CB-CB 4.39Å
417	L	91.9	Very high	79.9	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.5	174.6	-61.5	169.7	0	0	0	109	W304 L306 F388 P401 L403 V419 S432 C433	W304-L417 HydrophobicContact CE3-CD1 3.72Å; W304-L417 HydrophobicContact CZ3-CD1 3.63Å; L306-L417 HydrophobicContact CD1-CD1 3.98Å; L306-L417 HydrophobicContact CD1-CD2 4.44Å; F388-L417 HydrophobicContact CD1-CD1 3.8Å; F388-L417 HydrophobicContact CE1-CD1 3.89Å; P401-L417 HydrophobicContact CB-CB 3.86Å; P401-L417 HydrophobicContact CB-CD1 4.48Å; P401-L417 PolarHBondContact O-N 3.45Å; L403-L417 HydrophobicContact CB-CD1 4.12Å; L403-L417 HydrophobicContact CB-CD2 4.41Å; L403-L417 HydrophobicContact CB-CG 4.35Å; L417-V419 HydrophobicContact CB-CG2 4.23Å; L417-S432 WeakPolarHBondContact CA-O 3.41Å; L417-C433 HydrophobicContact CD2-CB 3.81Å; L417-C433 VanDerWaalsContact CD2-SG 3.53Å
418	Q	91.8	Very high	78.4	Confident	106 Å²	106	63.1 Å²	63.1	50%	0.495	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	88.7	169.7	-62.8	-178.5	-53.6	0	0	107.6	V431 S432	Q418-V431 WeakPolarHBondContact O-CA 3.41Å; Q418-S432 PolarHBondContact N-O 2.8Å; Q418-S432 PolarHBondContact O-N 3.03Å; Q418-S432 PolarHBondContact OE1-OG 2.89Å
419	V	87.7	Confident	77.5	Confident	36 Å²	36	66 Å²	66	22%	0.218	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-88	118.1	173.1	-174.6	0	0	0	0	107.2	W304 L306 P401 L417 V431	W304-V419 HydrophobicContact CB-CG1 4.07Å; W304-V419 HydrophobicContact CB-CG2 3.95Å; W304-V419 HydrophobicContact CD2-CG2 4.16Å; W304-V419 HydrophobicContact CG-CB 4.48Å; W304-V419 HydrophobicContact CG-CG1 4.25Å; W304-V419 HydrophobicContact CG-CG2 3.81Å; L306-V419 HydrophobicContact CD1-CG2 4.3Å; P401-V419 HydrophobicContact CB-CG2 4.16Å; P401-V419 HydrophobicContact CG-CG2 4.4Å; L417-V419 HydrophobicContact CB-CG2 4.23Å; V419-V431 HydrophobicContact CG1-CG2 4.5Å; V419-V431 HydrophobicContact CG2-CG1 4.27Å
420	P	84.5	Confident	77.3	Confident	30 Å²	30	67 Å²	67	20%	0.195	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-76	148.7	177.8	30.6	-32.2	0	0	0	110.9	R426 P429	P420-R426 VanDerWaalsContact C-NH2 3.32Å; P420-R426 PolarHBondContact O-NE 3.41Å; P420-R426 PolarHBondContact O-NH2 2.91Å; P420-P429 HydrophobicContact CB-CB 4.33Å; P420-P429 HydrophobicContact CG-CB 4.15Å
421	D	71.1	Confident	77.5	Confident	130 Å²	130	67.6 Å²	67.6	70%	0.695	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-53.1	155.7	-155.5	-53.4	-71	0	0	0	117.1	D423 R426	D421-D423 VanDerWaalsContact C-N 3.32Å; D421-D423 PolarHBondContact O-N 2.86Å; D421-D423 VanDerWaalsContact O-N 3.16Å; D421-R426 PolarHBondContact O-NE 3.37Å; D421-R426 PolarHBondContact O-NH2 2.85Å
422	E	58.3	Low	77.6	Confident	126 Å²	126	68.4 Å²	68.4	59%	0.589	35%	0.349	S	S	*	.	S	Bend	trans	-70.2	-18.3	-155.9	-66.1	167.3	-175.4	0	0	115.1	R390 S424	R390-E422 IonicContact NH1-OE1 2.83Å; E422-S424 PolarHBondContact O-N 3.14Å
423	D	53.1	Low	77.8	Confident	167 Å²	167	69.6 Å²	69.6	89%	0.893	36%	0.356	S	S	*	.	S	Bend	trans	-65	20.1	-174.6	-72.9	-33.4	0	0	0	117	D421	D421-D423 VanDerWaalsContact C-N 3.32Å; D421-D423 PolarHBondContact O-N 2.86Å; D421-D423 VanDerWaalsContact O-N 3.16Å
424	S	51.1	Low	77.8	Confident	43 Å²	43	72.9 Å²	72.9	30%	0.301	37%	0.374	S	S	.	.			trans	-151.2	137.3	179.8	39.3	0	0	0	0	116.4	E422 R426	E422-S424 PolarHBondContact O-N 3.14Å; S424-R426 WeakPolarHBondContact O-CG 3.5Å; S424-R426 PolarHBondContact O-N 3.45Å; S424-R426 VanDerWaalsContact OG-CG 3.25Å; S424-R426 WeakPolarHBondContact OG-CG 3.46Å; S424-R426 PolarHBondContact OG-NE 3.2Å; S424-R426 VanDerWaalsContact OG-NE 3.17Å; S424-R426 PolarHBondContact OG-NH2 2.9Å
425	H	55.6	Low	77.9	Confident	190 Å²	190	75.9 Å²	75.9	88%	0.88	39%	0.389	S	S	*	.			trans	-74.2	68.8	166.8	-54.3	-91.2	0	0	0	109.2
426	R	61.5	Low	77.7	Confident	35 Å²	35	77.8 Å²	77.8	13%	0.132	41%	0.405	C	S	.	.			trans	-59.4	137.5	-153.8	-78.6	167.4	179.7	-72.1	-6.3	115.8	K321 N322 P420 D421 S424 P429	K321-R426 CarbonylContact C-O 3.42Å; N322-R426 VanDerWaalsContact OD1-C 3.27Å; N322-R426 PolarHBondContact OD1-O 2.89Å; P420-R426 VanDerWaalsContact C-NH2 3.32Å; P420-R426 PolarHBondContact O-NE 3.41Å; P420-R426 PolarHBondContact O-NH2 2.91Å; D421-R426 PolarHBondContact O-NE 3.37Å; D421-R426 PolarHBondContact O-NH2 2.85Å; S424-R426 WeakPolarHBondContact O-CG 3.5Å; S424-R426 PolarHBondContact O-N 3.45Å; S424-R426 VanDerWaalsContact OG-CG 3.25Å; S424-R426 WeakPolarHBondContact OG-CG 3.46Å; S424-R426 PolarHBondContact OG-NE 3.2Å; S424-R426 VanDerWaalsContact OG-NE 3.17Å; S424-R426 PolarHBondContact OG-NH2 2.9Å; R426-P429 VanDerWaalsContact NH1-CD 3.34Å
427	I	55	Low	77.5	Confident	156 Å²	156	78.2 Å²	78.2	80%	0.8	41%	0.405	S	S	*	.	S	Bend	trans	-127.8	59.5	166.7	-54.7	175.1	0	0	0	106.1	N322	N322-I427 VanDerWaalsContact OD1-CA 3.26Å; N322-I427 WeakPolarHBondContact OD1-CA 3.27Å; N322-I427 PolarHBondContact OD1-N 3.05Å
428	R	59.5	Low	77.5	Confident	167 Å²	167	81.7 Å²	81.7	63%	0.63	42%	0.422	S	S	*	.			trans	69.4	164.9	-161.5	-49.9	-170.2	-172	162.1	5.3	113.4	N322 D430	N322-R428 PolarHBondContact OD1-N 2.81Å; R428-D430 WeakPolarHBondContact CG-OD1 3.5Å; R428-D430 IonicContact NE-OD1 3.26Å
429	P	72.4	Confident	77.3	Confident	84 Å²	84	77.7 Å²	77.7	55%	0.545	40%	0.403	S	S	.	.	S	Bend	cis	-43.4	145.9	-9.5	-33.2	33	0	0	0	116.7	P420 R426	P420-P429 HydrophobicContact CB-CB 4.33Å; P420-P429 HydrophobicContact CG-CB 4.15Å; R426-P429 VanDerWaalsContact NH1-CD 3.34Å
430	D	85.9	Confident	77.3	Confident	62 Å²	62	85.1 Å²	85.1	33%	0.332	43%	0.427	S	S	.	.			trans	-76.1	144.3	-178.1	-68.5	-55.3	0	0	0	112.5	K324 R428	K324-D430 WeakPolarHBondContact CD-OD1 3.34Å; K324-D430 IonicContact NZ-OD1 3.68Å; K324-D430 PolarHBondContact NZ-OD1 2.82Å; K324-D430 IonicContact NZ-OD2 2.64Å; K324-D430 PolarHBondContact NZ-OD2 2.87Å; R428-D430 WeakPolarHBondContact CG-OD1 3.5Å; R428-D430 IonicContact NE-OD1 3.26Å
431	V	91.9	Very high	76.9	Confident	13 Å²	13	84.6 Å²	84.6	8%	0.079	42%	0.423	C	S	.	.			trans	-69.1	139.8	165	177.4	0	0	0	0	110.3	L306 D319 V326 Q418 V419	L306-V431 HydrophobicContact CD1-CG1 4.19Å; L306-V431 HydrophobicContact CD2-CB 4.49Å; L306-V431 HydrophobicContact CD2-CG1 4.26Å; L306-V431 HydrophobicContact CD2-CG2 4.25Å; D319-V431 WeakPolarHBondContact OD2-CG2 3.25Å; V326-V431 HydrophobicContact CG1-CB 4.35Å; V326-V431 HydrophobicContact CG1-CG1 4.03Å; V326-V431 HydrophobicContact CG2-CB 4.13Å; V326-V431 HydrophobicContact CG2-CG1 4.43Å; Q418-V431 WeakPolarHBondContact O-CA 3.41Å; V419-V431 HydrophobicContact CG1-CG2 4.5Å; V419-V431 HydrophobicContact CG2-CG1 4.27Å
432	S	92.7	Very high	77.1	Confident	37 Å²	37	90.2 Å²	90.2	26%	0.259	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.4	173.1	133.5	0	0	0	0	111.1	L417 Q418	L417-S432 WeakPolarHBondContact CA-O 3.41Å; Q418-S432 PolarHBondContact N-O 2.8Å; Q418-S432 PolarHBondContact O-N 3.03Å; Q418-S432 PolarHBondContact OE1-OG 2.89Å
433	C	94.3	Very high	77.8	Confident	24 Å²	24	89.3 Å²	89.3	16%	0.162	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	106.7	179.7	-175.7	0	0	0	0	110	V326 L327 Y415 L417	V326-C433 HydrophobicContact CG1-CB 3.66Å; L327-C433 HydrophobicContact CB-CB 4.28Å; Y415-C433 WeakPolarHBondContact CD1-SG 2.91Å; L417-C433 HydrophobicContact CD2-CB 3.81Å; L417-C433 VanDerWaalsContact CD2-SG 3.53Å
434	I	94.8	Very high	79.1	Confident	80 Å²	80	84.1 Å²	84.1	41%	0.41	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.3	-170.5	-58.2	173	0	0	0	108.9	Y415 L416 A436	Y415-I434 CarbonylContact C-O 3.59Å; Y415-I434 VanDerWaalsContact CA-O 3.23Å; Y415-I434 WeakPolarHBondContact CA-O 3.16Å; L416-I434 PolarHBondContact N-O 3.12Å; L416-I434 PolarHBondContact O-N 3.28Å; I434-A436 PolarHBondContact O-N 2.87Å
435	L	94.6	Very high	80.5	Confident	64 Å²	64	82.5 Å²	82.5	34%	0.335	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	109.1	175.2	-178	73.4	0	0	0	109.4	F413 Y415 K437	F413-L435 HydrophobicContact CB-CD1 4.09Å; F413-L435 HydrophobicContact CD1-CD1 4Å; Y415-L435 VanDerWaalsContact CD1-CA 3.5Å; Y415-L435 HydrophobicContact CD1-CB 4.02Å; Y415-L435 HydrophobicContact CD1-CD1 4.21Å; Y415-L435 HydrophobicContact CD2-CD1 4.37Å; Y415-L435 HydrophobicContact CE1-CB 3.75Å; Y415-L435 HydrophobicContact CE1-CD1 3.79Å; Y415-L435 HydrophobicContact CE1-CG 4.39Å; Y415-L435 HydrophobicContact CE2-CD1 3.97Å; Y415-L435 HydrophobicContact CG-CD1 4.47Å; L435-K437 WeakPolarHBondContact CD1-O 3.42Å
436	A	91.3	Very high	81.9	Confident	40 Å²	40	73.4 Å²	73.4	33%	0.331	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-40.6	179.1	0	0	0	0	0	111.4	I393 A414 L416 I434	I393-A436 HydrophobicContact CG2-CB 3.8Å; A414-A436 WeakPolarHBondContact O-CA 3.23Å; A414-A436 PolarHBondContact O-N 2.93Å; L416-A436 HydrophobicContact CB-CB 4.39Å; I434-A436 PolarHBondContact O-N 2.87Å
437	K	89.3	Confident	83	Confident	49 Å²	49	71.8 Å²	71.8	21%	0.213	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150	-178.8	-57.5	-171	-177.3	173.6	0	113.1	I393 A414 L435 I439 P532 L534	I393-K437 HydrophobicContact CG2-CD 3.92Å; I393-K437 HydrophobicContact CG2-CG 4.06Å; I393-K437 WeakPolarHBondContact O-CE 3.47Å; I393-K437 PolarHBondContact O-NZ 3.39Å; A414-K437 HydrophobicContact CB-CB 4.25Å; A414-K437 PolarHBondContact N-O 2.76Å; A414-K437 PolarHBondContact O-N 2.93Å; L435-K437 WeakPolarHBondContact CD1-O 3.42Å; K437-I439 HydrophobicContact CB-CG1 4.48Å; K437-P532 PolarHBondContact NZ-O 3.13Å; K437-L534 HydrophobicContact CD-CD1 3.52Å; K437-L534 HydrophobicContact CD-CG 4.2Å
438	E	91.5	Very high	84.4	Confident	77 Å²	77	64.4 Å²	64.4	36%	0.36	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121	165.7	-173.6	-178.3	135	0	0	108.6	V411 F413 R440	V411-E438 HydrophobicContact CG1-CG 3.64Å; F413-E438 HydrophobicContact CD1-CB 4.3Å; F413-E438 HydrophobicContact CD1-CG 3.84Å; F413-E438 HydrophobicContact CE1-CG 3.71Å; F413-E438 WeakPolarHBondContact CE1-OE2 3.45Å; E438-R440 IonicContact OE1-CZ 3.93Å; E438-R440 IonicContact OE1-NE 3.51Å; E438-R440 PolarHBondContact OE1-NE 3.23Å; E438-R440 IonicContact OE1-NH2 3.46Å; E438-R440 PolarHBondContact OE1-NH2 2.84Å
439	I	87.5	Confident	85.5	Confident	22 Å²	22	56.9 Å²	56.9	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	100.8	-172.2	-48.3	174.7	0	0	0	108.2	W404 V411 V412 K437 F518 I520 L534	W404-I439 HydrophobicContact CZ3-CD1 4.07Å; V411-I439 WeakPolarHBondContact CA-O 3.49Å; V412-I439 HydrophobicContact CB-CB 4.26Å; V412-I439 PolarHBondContact N-O 2.98Å; V412-I439 PolarHBondContact O-N 3.08Å; K437-I439 HydrophobicContact CB-CG1 4.48Å; I439-F518 HydrophobicContact CD1-CE1 3.7Å; I439-F518 HydrophobicContact CD1-CZ 4.07Å; I439-I520 HydrophobicContact CG2-CD1 4.38Å; I439-L534 HydrophobicContact CD1-CD1 3.51Å; I439-L534 HydrophobicContact CD1-CD2 4.06Å; I439-L534 HydrophobicContact CD1-CG 4.46Å; I439-L534 HydrophobicContact CG1-CD1 3.78Å
440	R	87.2	Confident	86	Confident	191 Å²	191	52.9 Å²	52.9	72%	0.721	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.9	176.5	-59.2	-169.6	-179.1	-174.4	0.9	110.9	V411 E438	V411-R440 HydrophobicContact CG1-CG 4.2Å; V411-R440 HydrophobicContact CG2-CG 4.13Å; E438-R440 IonicContact OE1-CZ 3.93Å; E438-R440 IonicContact OE1-NE 3.51Å; E438-R440 PolarHBondContact OE1-NE 3.23Å; E438-R440 IonicContact OE1-NH2 3.46Å; E438-R440 PolarHBondContact OE1-NH2 2.84Å
441	L	77.1	Confident	85.6	Confident	20 Å²	20	50.1 Å²	50.1	11%	0.105	25%	0.245	C	C	.	.			trans	-89.9	128.7	-178.8	-57.3	169.6	0	0	0	110.2	G410 H443 A444 V447 I520 K522	G410-L441 VanDerWaalsContact O-CB 3.24Å; G410-L441 WeakPolarHBondContact O-CB 3.47Å; G410-L441 WeakPolarHBondContact O-CG 3.35Å; G410-L441 PolarHBondContact O-N 2.82Å; L441-H443 PolarHBondContact O-N 2.7Å; L441-A444 PolarHBondContact O-N 3.49Å; L441-V447 HydrophobicContact CD1-CG2 3.63Å; L441-I520 HydrophobicContact CD1-CG2 4.1Å; L441-I520 HydrophobicContact CD2-CD1 3.89Å; L441-I520 HydrophobicContact CD2-CG2 4.49Å; L441-K522 HydrophobicContact CD1-CD 3.96Å; L441-K522 HydrophobicContact CD1-CG 4.28Å
442	R	73.5	Confident	84.9	Confident	248 Å²	248	49.5 Å²	49.5	94%	0.936	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.2	-171.9	-68.1	-171.7	-177.4	-177.3	-0.1	115.8
443	H	74.9	Confident	83.9	Confident	107 Å²	107	47.8 Å²	47.8	50%	0.495	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	2.6	-177.3	-59	-52.3	0	0	0	113.4	L441 A445 E525 R542	L441-H443 PolarHBondContact O-N 2.7Å; H443-A445 PolarHBondContact O-N 3.14Å; H443-E525 IonicContact CD2-OE1 3.37Å; H443-R542 PolarHBondContact NE2-NH2 3.03Å
444	A	80.4	Confident	82.8	Confident	58 Å²	58	47.2 Å²	47.2	48%	0.479	22%	0.224	S	C	.	.			trans	51	16.5	-175.6	0	0	0	0	0	115.3	A409 L441	A409-A444 CarbonylContact C-O 3.4Å; L441-A444 PolarHBondContact O-N 3.49Å
445	A	79.3	Confident	81.2	Confident	8 Å²	8	45.3 Å²	45.3	7%	0.066	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66	135.4	-179.3	0	0	0	0	0	110.6	G410 H443 V447 K522 D524	G410-A445 WeakPolarHBondContact CA-O 3.27Å; H443-A445 PolarHBondContact O-N 3.14Å; A445-V447 PolarHBondContact O-N 2.94Å; A445-K522 HydrophobicContact CB-CB 4.34Å; A445-K522 HydrophobicContact CB-CD 4.09Å; A445-D524 VanDerWaalsContact CB-OD1 3.29Å; A445-D524 WeakPolarHBondContact CB-OD1 3.48Å
446	P	84.4	Confident	79.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-54	138	-178.7	-27.6	33.5	0	0	0	113	R373 N408 K522 D523	R373-P446 VanDerWaalsContact NH1-CD 3.28Å; N408-P446 WeakPolarHBondContact O-CA 3.44Å; N408-P446 WeakPolarHBondContact O-CG 3.46Å; N408-P446 WeakPolarHBondContact OD1-CB 3.25Å; N408-P446 VanDerWaalsContact OD1-CG 3.24Å; N408-P446 WeakPolarHBondContact OD1-CG 3.25Å; P446-K522 WeakPolarHBondContact O-CA 3.28Å; P446-K522 WeakPolarHBondContact O-CB 3.33Å; P446-D523 WeakPolarHBondContact CD-OD2 3.23Å; P446-D523 WeakPolarHBondContact CG-OD2 3.39Å; P446-D523 PolarHBondContact O-N 2.94Å
447	V	85.2	Confident	77.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.3	177.5	-156.6	0	0	0	0	109.5	R384 F385 T407 V412 L441 A445 I520 V521	R384-V447 WeakPolarHBondContact CB-O 3.22Å; F385-V447 HydrophobicContact CD1-CG1 4.39Å; F385-V447 HydrophobicContact CE1-CB 4.07Å; F385-V447 HydrophobicContact CE1-CG1 3.68Å; T407-V447 PolarHBondContact O-N 3.4Å; T407-V447 VanDerWaalsContact O-N 3.16Å; V412-V447 HydrophobicContact CG2-CB 4.31Å; V412-V447 HydrophobicContact CG2-CG1 3.88Å; V412-V447 HydrophobicContact CG2-CG2 3.85Å; L441-V447 HydrophobicContact CD1-CG2 3.63Å; A445-V447 PolarHBondContact O-N 2.94Å; V447-I520 HydrophobicContact CG1-CG2 3.53Å; V447-V521 WeakPolarHBondContact CG1-O 3.47Å
448	L	83.7	Confident	74.2	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-48.8	-179.8	-77.7	171	0	0	0	111.7	F385 V480 V521 K522 I551	F385-L448 WeakPolarHBondContact CB-O 3.28Å; L448-V480 HydrophobicContact CB-CG1 4.15Å; L448-V480 HydrophobicContact CD2-CG1 3.75Å; L448-V480 VanDerWaalsContact O-CG1 3.31Å; L448-V480 WeakPolarHBondContact O-CG1 3.35Å; L448-V521 HydrophobicContact CB-CB 4.37Å; L448-V521 HydrophobicContact CB-CG1 4.08Å; L448-V521 HydrophobicContact CD1-CG1 4.13Å; L448-V521 PolarHBondContact N-O 2.67Å; L448-K522 WeakPolarHBondContact CD1-O 3.19Å; L448-I551 HydrophobicContact CD1-CB 3.59Å; L448-I551 HydrophobicContact CD1-CG2 3.49Å; L448-I551 VanDerWaalsContact CD1-CG2 3.49Å; L448-I551 WeakPolarHBondContact CD1-O 3.49Å
449	T	83.4	Confident	71.1	Confident	9 Å²	9	51.6 Å²	51.6	6%	0.055	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	174.2	176.2	-166.3	0	0	0	0	110.8	F385 V480 V521 T554	F385-T449 VanDerWaalsContact CD1-CA 3.49Å; T449-V480 HydrophobicContact CG2-CG2 4.24Å; T449-V521 HydrophobicContact CG2-CB 4.09Å; T449-V521 HydrophobicContact CG2-CG2 3.98Å; T449-V521 PolarHBondContact O-N 3.28Å; T449-T554 VanDerWaalsContact CG2-OG1 3.24Å; T449-T554 WeakPolarHBondContact CG2-OG1 3.21Å
450	V	82.6	Confident	68.1	Low	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.1	166.6	-65.3	0	0	0	0	110.1	F385 T387 W404 V412 F452 P476 F518 G519 I520	F385-V450 HydrophobicContact CE1-CG1 4.07Å; F385-V450 HydrophobicContact CE2-CG1 4.39Å; F385-V450 HydrophobicContact CE2-CG2 3.64Å; F385-V450 HydrophobicContact CZ-CB 4.13Å; F385-V450 HydrophobicContact CZ-CG1 3.56Å; F385-V450 HydrophobicContact CZ-CG2 3.68Å; T387-V450 HydrophobicContact CG2-CG2 4Å; W404-V450 HydrophobicContact CB-CG2 4.14Å; V412-V450 HydrophobicContact CG1-CG1 4.41Å; V450-F452 HydrophobicContact CB-CZ 4.49Å; V450-F452 HydrophobicContact CG2-CE2 3.94Å; V450-F452 HydrophobicContact CG2-CZ 3.76Å; V450-P476 WeakPolarHBondContact O-CD 3.46Å; V450-P476 WeakPolarHBondContact O-CG 3.29Å; V450-F518 HydrophobicContact CB-CD2 4.28Å; V450-F518 HydrophobicContact CB-CE2 3.56Å; V450-F518 HydrophobicContact CB-CZ 4.31Å; V450-F518 HydrophobicContact CG1-CE2 3.49Å; V450-F518 VanDerWaalsContact CG1-CE2 3.49Å; V450-F518 HydrophobicContact CG1-CZ 3.72Å; V450-F518 HydrophobicContact CG2-CE2 4.12Å; V450-G519 WeakPolarHBondContact CA-O 3.12Å; V450-G519 WeakPolarHBondContact CB-O 3.38Å; V450-I520 HydrophobicContact CG1-CG1 4.32Å
451	Y	77.8	Confident	65.2	Low	4 Å²	4	56.2 Å²	56.2	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.8	175.2	59.9	-95.7	0	0	0	111.5	V453 L517 F518 G519 V521 M556 L573 V587	Y451-V453 HydrophobicContact CD2-CG2 3.94Å; Y451-V453 HydrophobicContact CE2-CG2 4.42Å; Y451-L517 HydrophobicContact CE2-CD2 3.8Å; Y451-F518 WeakPolarHBondContact O-CA 3.3Å; Y451-G519 PolarHBondContact N-O 2.85Å; Y451-G519 VanDerWaalsContact N-O 3.13Å; Y451-G519 PolarHBondContact O-N 2.91Å; Y451-V521 HydrophobicContact CD1-CG2 4.05Å; Y451-V521 HydrophobicContact CE1-CG2 3.89Å; Y451-M556 HydrophobicContact CD2-SD 3.97Å; Y451-M556 HydrophobicContact CG-SD 4.31Å; Y451-L573 HydrophobicContact CD1-CD1 4.11Å; Y451-L573 HydrophobicContact CE1-CD1 4.04Å; Y451-L573 HydrophobicContact CE1-CD2 3.72Å; Y451-L573 HydrophobicContact CE1-CG 4.47Å; Y451-V587 HydrophobicContact CE2-CG1 4.35Å
452	F	77.3	Confident	62.7	Low	1 Å²	1	61.1 Å²	61.1	0%	0.004	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.3	-177	-51.8	-80	0	0	0	110.2	T387 A389 V391 W404 V450 W474 W516 F518 L531	T387-F452 HydrophobicContact CG2-CE2 4.47Å; A389-F452 HydrophobicContact CB-CD2 3.82Å; A389-F452 HydrophobicContact CB-CE2 3.67Å; A389-F452 HydrophobicContact CB-CZ 4.3Å; V391-F452 HydrophobicContact CG1-CB 3.97Å; V391-F452 HydrophobicContact CG1-CD1 3.85Å; V391-F452 HydrophobicContact CG1-CG 3.89Å; V391-F452 HydrophobicContact CG2-CD1 4.29Å; V391-F452 HydrophobicContact CG2-CE1 4.22Å; W404-F452 AromaticContact CD1-CZ 3.56Å; W404-F452 HydrophobicContact CD2-CE1 4.09Å; W404-F452 AromaticContact CD2-CZ 3.64Å; W404-F452 HydrophobicContact CD2-CZ 3.64Å; W404-F452 AromaticContact CE2-CE1 3.57Å; W404-F452 AromaticContact CE2-CZ 3.45Å; W404-F452 VanDerWaalsContact CE2-CZ 3.45Å; W404-F452 HydrophobicContact CE3-CZ 4.36Å; W404-F452 HydrophobicContact CG-CE2 4.49Å; W404-F452 AromaticContact CG-CZ 3.7Å; W404-F452 HydrophobicContact CG-CZ 3.7Å; W404-F452 HydrophobicContact CH2-CE1 4.2Å; W404-F452 AromaticContact CZ2-CE1 3.62Å; W404-F452 HydrophobicContact CZ2-CE1 3.62Å; W404-F452 HydrophobicContact CZ2-CZ 4.02Å; W404-F452 AromaticContact NE1-CE1 3.83Å; W404-F452 AromaticContact NE1-CZ 3.43Å; V450-F452 HydrophobicContact CB-CZ 4.49Å; V450-F452 HydrophobicContact CG2-CE2 3.94Å; V450-F452 HydrophobicContact CG2-CZ 3.76Å; F452-W474 HydrophobicContact CB-CB 4.21Å; F452-W474 PolarHBondContact N-O 3.41Å; F452-W516 HydrophobicContact CB-CE3 4.28Å; F452-F518 AromaticContact CD1-CD2 3.98Å; F452-F518 HydrophobicContact CD1-CD2 3.98Å; F452-F518 AromaticContact CE1-CD2 3.42Å; F452-F518 HydrophobicContact CE1-CD2 3.42Å; F452-F518 VanDerWaalsContact CE1-CD2 3.42Å; F452-F518 AromaticContact CE1-CE2 3.83Å; F452-F518 HydrophobicContact CE1-CE2 3.83Å; F452-F518 HydrophobicContact CE1-CG 4.48Å; F452-F518 HydrophobicContact CZ-CD2 4.14Å; F452-F518 HydrophobicContact CZ-CE2 4.14Å; F452-L531 HydrophobicContact CD1-CD1 4.07Å; F452-L531 HydrophobicContact CE1-CD1 4.12Å
453	V	72	Confident	60.3	Low	0 Å²	0	56.4 Å²	56.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.9	-175.4	172.7	0	0	0	0	109.2	Y451 T455 W516 L517 M556 V587 Y588	Y451-V453 HydrophobicContact CD2-CG2 3.94Å; Y451-V453 HydrophobicContact CE2-CG2 4.42Å; V453-T455 PolarHBondContact O-N 3.45Å; V453-W516 CarbonylContact O-C 3.58Å; V453-W516 WeakPolarHBondContact O-CA 3.24Å; V453-L517 HydrophobicContact CB-CB 4.33Å; V453-L517 PolarHBondContact N-O 2.93Å; V453-L517 PolarHBondContact O-N 3.36Å; V453-M556 HydrophobicContact CG2-CE 3.99Å; V453-M556 HydrophobicContact CG2-SD 3.31Å; V453-M556 WeakPolarHBondContact CG2-SD 3.24Å; V453-V587 HydrophobicContact CB-CG1 4.09Å; V453-V587 HydrophobicContact CG1-CG1 3.82Å; V453-V587 HydrophobicContact CG2-CG1 3.62Å; V453-Y588 HydrophobicContact CG1-CD1 4.48Å; V453-Y588 HydrophobicContact CG1-CE1 3.67Å
454	D	70.1	Confident	58	Low	12 Å²	12	60.1 Å²	60.1	6%	0.064	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	122.7	168	-173.6	-32	0	0	0	109	P456 V471 V514 W516	D454-P456 WeakPolarHBondContact O-CD 3.2Å; D454-V471 HydrophobicContact CB-CG1 3.88Å; D454-V514 HydrophobicContact CB-CG1 4Å; D454-V514 WeakPolarHBondContact OD1-CG1 3.35Å; D454-V514 WeakPolarHBondContact OD2-CG2 3.32Å; D454-W516 HydrophobicContact CB-CE3 4.45Å; D454-W516 HydrophobicContact CB-CH2 4.25Å; D454-W516 HydrophobicContact CB-CZ3 4.03Å
455	T	62.7	Low	55.4	Low	40 Å²	40	63.8 Å²	63.8	25%	0.245	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.3	170.2	68.8	0	0	0	0	109.2	V453 G457 R515 L517	V453-T455 PolarHBondContact O-N 3.45Å; T455-G457 PolarHBondContact O-N 3.04Å; T455-R515 PolarHBondContact N-O 3.33Å; T455-R515 WeakPolarHBondContact OG1-CB 3.47Å; T455-R515 PolarHBondContact OG1-O 3.49Å; T455-R515 VanDerWaalsContact OG1-O 3.07Å; T455-L517 HydrophobicContact CG2-CB 3.8Å
456	P	54.3	Low	52.8	Low	81 Å²	81	70 Å²	70	53%	0.526	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-50.1	129.3	179.5	-28.2	35.3	0	0	0	111.9	D454 S458	D454-P456 WeakPolarHBondContact O-CD 3.2Å; P456-S458 PolarHBondContact O-N 2.9Å; P456-S458 VanDerWaalsContact O-N 3.13Å
457	G	46	Very low	50	Low	77 Å²	77	78.5 Å²	78.5	79%	0.794	46%	0.455	S	S	*	.			trans	-59	115.7	-175.8	0	0	0	0	0	111.6	T455 S459	T455-G457 PolarHBondContact O-N 3.04Å; G457-S459 PolarHBondContact O-N 3.11Å
458	S	27.6	Very low	47	Very low	104 Å²	104	83.1 Å²	83.1	73%	0.727	49%	0.487	S	S	*	.			trans	-69	97.1	177	59.1	0	0	0	0	110.5	P456	P456-S458 PolarHBondContact O-N 2.9Å; P456-S458 VanDerWaalsContact O-N 3.13Å
459	S	26	Very low	44.1	Very low	101 Å²	101	86.4 Å²	86.4	71%	0.706	52%	0.521	S	S	*	.			trans	52.9	108.7	168.2	61.9	0	0	0	0	117.5	G457	G457-S459 PolarHBondContact O-N 3.11Å
460	H	25.6	Very low	41.3	Very low	193 Å²	193	86.6 Å²	86.6	89%	0.894	53%	0.525	S	S	*	.			trans	-127.3	117.7	134	-103.8	-88.2	0	0	0	108.3
461	S	25	Very low	38.8	Very low	117 Å²	117	89 Å²	89	82%	0.818	54%	0.539	S	S	*	.			trans	-99.1	95.4	-179.9	54.8	0	0	0	0	110.3
462	T	24.6	Very low	36.8	Very low	123 Å²	123	88.9 Å²	88.9	76%	0.755	54%	0.539	S	S	*	.			trans	-153.6	140.8	162.6	36.4	0	0	0	0	109.2
463	D	24.3	Very low	34.5	Very low	149 Å²	149	91.7 Å²	91.7	80%	0.797	55%	0.554	S	S	*	*			trans	-56.4	133.3	-172.5	-47.5	-83.9	0	0	0	114.5
464	H	26.9	Very low	32.5	Very low	184 Å²	184	94.1 Å²	94.1	85%	0.852	56%	0.563	S	S	*	*				-171.4	159.3	118.1	-99	-67.4	0	0	0	110.8	D466	H464-D466 PolarHBondContact O-N 3.29Å
465	N	24	Very low	30.8	Very low	136 Å²	136	94.5 Å²	94.5	73%	0.727	57%	0.567	S	S	*	*			trans	-78.5	100.4	-176.8	-72.2	-13	0	0	0	112.1
466	D	25.4	Very low	29.3	Very low	138 Å²	138	93.2 Å²	93.2	74%	0.738	56%	0.559	S	S	*	*			trans	-122.4	90.8	161.9	-101.7	-44.7	0	0	0	110.5	H464 S468	H464-D466 PolarHBondContact O-N 3.29Å; D466-S468 PolarHBondContact O-N 3.06Å
467	H	25	Very low	28.2	Very low	179 Å²	179	94.8 Å²	94.8	83%	0.829	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	53.9	-178.6	-64	-46.8	0	0	0	112.7
468	S	23.4	Very low	27.5	Very low	96 Å²	96	92.2 Å²	92.2	67%	0.671	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147	10.3	-175	60.7	0	0	0	0	115.2	D466 G470	D466-S468 PolarHBondContact O-N 3.06Å; S468-G470 VanDerWaalsContact C-N 3.29Å; S468-G470 PolarHBondContact O-N 2.92Å
469	G	23.1	Very low	27.5	Very low	70 Å²	70	88.9 Å²	88.9	72%	0.722	50%	0.501	S	S	*	.			trans	-68.9	67.9	-176.3	0	0	0	0	0	115.9
470	G	24.2	Very low	27.6	Very low	14 Å²	14	84.4 Å²	84.4	14%	0.144	47%	0.47	C	S	.	.			trans	-63.3	137.2	167.3	0	0	0	0	0	111.5	S468 S509	S468-G470 VanDerWaalsContact C-N 3.29Å; S468-G470 PolarHBondContact O-N 2.92Å; G470-S509 VanDerWaalsContact O-CB 3.27Å; G470-S509 WeakPolarHBondContact O-CB 3.43Å
471	V	30.8	Very low	27.7	Very low	49 Å²	49	76.5 Å²	76.5	30%	0.297	43%	0.433	S	S	.	.			trans	-119.1	123.2	-178.8	-174.5	0	0	0	0	109.7	D454 R571	D454-V471 HydrophobicContact CB-CG1 3.88Å; V471-R571 PolarHBondContact O-NH2 2.96Å
472	N	34	Very low	27.8	Very low	3 Å²	3	72.1 Å²	72.1	2%	0.016	40%	0.403	C	S	.	.			trans	-77	164.2	-154	-51.3	-11.6	0	0	0	113.7	P507 I508 S509 W516	N472-P507 PolarHBondContact OD1-O 2.71Å; N472-I508 WeakPolarHBondContact OD1-CA 3.46Å; N472-S509 PolarHBondContact ND2-N 2.91Å; N472-S509 PolarHBondContact ND2-O 2.85Å; N472-S509 PolarHBondContact OD1-N 2.89Å; N472-W516 HydrophobicContact CB-CH2 4.43Å
473	L	29	Very low	28	Very low	60 Å²	60	68.8 Å²	68.8	31%	0.314	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.9	165.7	-159	76.7	0	0	0	109.8	M556 R571	L473-M556 HydrophobicContact CD1-CE 3.65Å; L473-M556 HydrophobicContact CD1-CG 4.05Å; L473-M556 HydrophobicContact CD1-SD 3.92Å; L473-M556 HydrophobicContact CG-CE 3.91Å; L473-R571 HydrophobicContact CD1-CG 4.43Å
474	W	31.5	Very low	28	Very low	50 Å²	50	63.6 Å²	63.6	19%	0.189	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	79.3	166.7	-81.3	82.9	0	0	0	108.5	A389 R390 F452 I508	A389-W474 HydrophobicContact CB-CE3 4.25Å; R390-W474 HydrophobicContact CB-CH2 4.26Å; R390-W474 HydrophobicContact CB-CZ2 3.81Å; R390-W474 HydrophobicContact CG-CH2 3.85Å; R390-W474 HydrophobicContact CG-CZ2 3.77Å; F452-W474 HydrophobicContact CB-CB 4.21Å; F452-W474 PolarHBondContact N-O 3.41Å; W474-I508 HydrophobicContact CZ2-CD1 4.02Å
475	S	33.3	Very low	27.8	Very low	21 Å²	21	62.7 Å²	62.7	15%	0.147	36%	0.361	C	S	.	.			trans	-85.5	133.6	163.1	51.2	0	0	0	0	109.4	W477	S475-W477 PolarHBondContact O-N 2.88Å
476	P	31.3	Very low	27.9	Very low	13 Å²	13	63.9 Å²	63.9	8%	0.084	36%	0.36	C	S	.	.			trans	-54.6	127.3	167.9	-28.5	38.5	0	0	0	111.1	T387 V450 S478	T387-P476 HydrophobicContact CG2-CB 4.32Å; T387-P476 HydrophobicContact CG2-CG 3.82Å; T387-P476 VanDerWaalsContact OG1-CB 3.32Å; T387-P476 WeakPolarHBondContact OG1-CB 3.24Å; T387-P476 WeakPolarHBondContact OG1-CG 3.11Å; V450-P476 WeakPolarHBondContact O-CD 3.46Å; V450-P476 WeakPolarHBondContact O-CG 3.29Å; P476-S478 WeakPolarHBondContact CB-OG 3.48Å; P476-S478 PolarHBondContact O-N 2.73Å
477	W	31.9	Very low	27.9	Very low	113 Å²	113	61.9 Å²	61.9	43%	0.428	35%	0.349	S	S	.	.	S	Bend	trans	-75.3	65.9	168.2	-66.7	86.1	0	0	0	109	F93 L95 S475	F93-W477 HydrophobicContact CE1-CE3 4.35Å; F93-W477 HydrophobicContact CE2-CB 4.2Å; F93-W477 WeakPolarHBondContact CE2-O 3.48Å; F93-W477 HydrophobicContact CZ-CB 4.12Å; F93-W477 AromaticContact CZ-CE3 3.83Å; F93-W477 HydrophobicContact CZ-CE3 3.83Å; L95-W477 HydrophobicContact CD1-CH2 3.62Å; L95-W477 HydrophobicContact CD1-CZ3 3.45Å; L95-W477 VanDerWaalsContact CD1-CZ3 3.45Å; S475-W477 PolarHBondContact O-N 2.88Å
478	S	30.2	Very low	28	Very low	23 Å²	23	55 Å²	55	16%	0.161	32%	0.318	C	S	.	.			trans	-148.6	100.9	-178.6	66.7	0	0	0	0	109.9	P476 V480	P476-S478 WeakPolarHBondContact CB-OG 3.48Å; P476-S478 PolarHBondContact O-N 2.73Å; S478-V480 PolarHBondContact O-N 2.96Å
479	S	28.5	Very low	28.2	Very low	34 Å²	34	55.5 Å²	55.5	24%	0.238	32%	0.321	C	S	.	.			trans	-58.9	110.5	164.7	49.1	0	0	0	0	109	C92 F481	C92-S479 PolarHBondContact O-OG 2.9Å; S479-F481 PolarHBondContact O-N 2.9Å
480	V	28.1	Very low	28.4	Very low	8 Å²	8	53.7 Å²	53.7	5%	0.048	30%	0.298	C	S	.	.			trans	-69.5	89.9	-174.6	-174.4	0	0	0	0	110.2	L448 T449 S478 S482 K553	L448-V480 HydrophobicContact CB-CG1 4.15Å; L448-V480 HydrophobicContact CD2-CG1 3.75Å; L448-V480 VanDerWaalsContact O-CG1 3.31Å; L448-V480 WeakPolarHBondContact O-CG1 3.35Å; T449-V480 HydrophobicContact CG2-CG2 4.24Å; S478-V480 PolarHBondContact O-N 2.96Å; V480-S482 PolarHBondContact O-N 2.9Å; V480-K553 VanDerWaalsContact O-CG 3.29Å; V480-K553 WeakPolarHBondContact O-CG 3.1Å
481	F	27.9	Very low	28.8	Very low	26 Å²	26	58 Å²	58	11%	0.114	31%	0.314	C	S	.	.			trans	-81.4	98.9	172.7	-126.4	-79.8	0	0	0	109.2	R213 S479 Q483 L608	R213-F481 PolarHBondContact NH2-O 3.06Å; S479-F481 PolarHBondContact O-N 2.9Å; F481-Q483 HydrophobicContact CD1-CG 4.11Å; F481-Q483 PolarHBondContact O-N 3.26Å; F481-L608 WeakPolarHBondContact CE2-O 3.31Å; F481-L608 WeakPolarHBondContact CZ-O 3.47Å
482	S	26.5	Very low	28.9	Very low	26 Å²	26	58.4 Å²	58.4	18%	0.182	31%	0.312	C	S	.	.			trans	-73.5	67.3	175.2	-177	0	0	0	0	111.2	R384 V480 G484	R384-S482 PolarHBondContact NH2-OG 3.35Å; R384-S482 VanDerWaalsContact NH2-OG 3.09Å; V480-S482 PolarHBondContact O-N 2.9Å; S482-G484 PolarHBondContact O-N 3.34Å
483	Q	28.9	Very low	28.5	Very low	52 Å²	52	59.5 Å²	59.5	24%	0.243	32%	0.322	C	S	.	.			trans	-62	106.6	176.7	-81.7	177.8	-30.9	0	0	111.6	H212 R213 F481	H212-Q483 PolarHBondContact CD2-NE2 3.46Å; R213-Q483 VanDerWaalsContact CZ-OE1 3.32Å; F481-Q483 HydrophobicContact CD1-CG 4.11Å; F481-Q483 PolarHBondContact O-N 3.26Å
484	G	23.8	Very low	28.7	Very low	41 Å²	41	62.8 Å²	62.8	42%	0.423	33%	0.333	S	S	.	.				-70.2	158.2	125.8	0	0	0	0	0	109.4	S482 F486	S482-G484 PolarHBondContact O-N 3.34Å; G484-F486 PolarHBondContact O-N 2.94Å; G484-F486 VanDerWaalsContact O-N 3.15Å
485	L	24.2	Very low	28.5	Very low	164 Å²	164	62.5 Å²	62.5	86%	0.859	34%	0.337	S	S	*	.	S	Bend	trans	-67.5	107	175.4	-73.9	153.1	0	0	0	109.7
486	F	25.3	Very low	28.3	Very low	161 Å²	161	66.2 Å²	66.2	71%	0.706	35%	0.351	S	S	*	.			trans	-147.2	122.8	174.4	-64	-70	0	0	0	109.9	G484	G484-F486 PolarHBondContact O-N 2.94Å; G484-F486 VanDerWaalsContact O-N 3.15Å
487	N	24.7	Very low	28	Very low	96 Å²	96	69.5 Å²	69.5	51%	0.513	37%	0.366	S	S	.	.			trans	-72.4	139.3	160	-68.3	29.5	0	0	0	107.9	E149 S489	E149-N487 PolarHBondContact OE1-ND2 3.33Å; E149-N487 PolarHBondContact OE2-ND2 2.84Å; E149-N487 VanDerWaalsContact OE2-ND2 3.12Å; N487-S489 PolarHBondContact O-N 3.18Å; N487-S489 VanDerWaalsContact O-N 3.15Å
488	L	27.4	Very low	27.7	Very low	36 Å²	36	71.9 Å²	71.9	19%	0.188	38%	0.381	C	S	.	.			trans	-88	57.1	172.8	-93.4	154	0	0	0	110	V89 S490	V89-L488 VanDerWaalsContact O-CD1 3.29Å; V89-L488 WeakPolarHBondContact O-CD1 3.19Å; L488-S490 PolarHBondContact O-N 3.29Å
489	S	27.2	Very low	27.4	Very low	105 Å²	105	75.9 Å²	75.9	73%	0.734	41%	0.41	S	S	*	.			trans	-76.8	71.9	169.1	63.5	0	0	0	0	109.5	N487	N487-S489 PolarHBondContact O-N 3.18Å; N487-S489 VanDerWaalsContact O-N 3.15Å
490	S	28.6	Very low	27.2	Very low	32 Å²	32	79.1 Å²	79.1	22%	0.224	43%	0.43	C	S	.	.			trans	-138.2	129.2	175.6	54.3	0	0	0	0	109.1	L488	L488-S490 PolarHBondContact O-N 3.29Å
491	E	31.5	Very low	27	Very low	106 Å²	106	85 Å²	85	50%	0.495	46%	0.459	S	S	.	.			trans	-77.1	151.2	-169	-65.1	154.7	-161.9	0	0	113	E61	E61-E491 WeakPolarHBondContact OE1-CB 3.46Å
492	K	32.9	Very low	26.8	Very low	57 Å²	57	92.1 Å²	92.1	25%	0.248	49%	0.486	C	S	.	.			trans	57.6	129.2	176.6	-50.2	109.5	179.2	132.4	0	116.7	E60 E61 H85 D623 C624	E60-K492 VanDerWaalsContact CG-CE 3.5Å; E60-K492 WeakPolarHBondContact O-CE 3.41Å; E60-K492 IonicContact OE1-NZ 3.14Å; E60-K492 PolarHBondContact OE1-NZ 2.93Å; E61-K492 WeakPolarHBondContact OE1-CE 3.43Å; E61-K492 IonicContact OE1-NZ 3.88Å; E61-K492 PolarHBondContact OE1-NZ 3.35Å; E61-K492 PolarHBondContact OE2-N 3.44Å; E61-K492 VanDerWaalsContact OE2-N 3.12Å; H85-K492 PolarHBondContact NE2-N 2.92Å; K492-D623 CarbonylContact O-C 3.58Å; K492-C624 VanDerWaalsContact C-SG 3.56Å; K492-C624 VanDerWaalsContact CB-SG 3.6Å; K492-C624 PolarHBondContact O-N 3.49Å; K492-C624 PolarHBondContact O-SG 2.88Å
493	A	26.9	Very low	26.6	Very low	26 Å²	26	91.8 Å²	91.8	22%	0.215	48%	0.481	C	S	.	.			trans	-112.9	143.6	176	0	0	0	0	0	113.3	F84 F622	F84-A493 HydrophobicContact CB-CB 4.07Å; A493-F622 VanDerWaalsContact CB-O 3.25Å; A493-F622 WeakPolarHBondContact CB-O 3.47Å
494	K	31.5	Very low	26.4	Very low	129 Å²	129	93.8 Å²	93.8	56%	0.561	50%	0.497	S	S	*	.			trans	-139.4	125.9	170.4	-86.2	175.2	178.2	159.4	0	112.7	F496 C621 C624	K494-F496 HydrophobicContact CB-CE2 4.03Å; K494-F496 HydrophobicContact CB-CZ 4.43Å; K494-F496 WeakPolarHBondContact O-CD2 3.46Å; K494-C621 VanDerWaalsContact O-O 3.11Å; K494-C624 HydrophobicContact CB-CB 3.83Å; K494-C624 HydrophobicContact CD-CB 4.09Å; K494-C624 HydrophobicContact CG-CB 4.12Å
495	V	28	Very low	26.4	Very low	44 Å²	44	95 Å²	95	27%	0.267	50%	0.503	S	S	.	.			trans	-88.4	128.6	175.8	-165.4	0	0	0	0	111	F84 F163 V620	F84-V495 HydrophobicContact CE2-CG2 4.25Å; F84-V495 HydrophobicContact CZ-CG2 4.37Å; F163-V495 HydrophobicContact CD2-CB 4.24Å; F163-V495 HydrophobicContact CD2-CG1 4.02Å; F163-V495 HydrophobicContact CD2-CG2 4.29Å; F163-V495 HydrophobicContact CE2-CB 4.06Å; F163-V495 HydrophobicContact CE2-CG1 3.38Å; F163-V495 HydrophobicContact CE2-CG2 4.46Å; F163-V495 HydrophobicContact CZ-CG1 3.77Å; V495-V620 HydrophobicContact CG1-CB 4.45Å; V495-V620 HydrophobicContact CG1-CG1 4.15Å; V495-V620 HydrophobicContact CG1-CG2 4.03Å; V495-V620 HydrophobicContact CG2-CG1 4.27Å
496	F	28.9	Very low	26.5	Very low	98 Å²	98	90.9 Å²	90.9	43%	0.43	48%	0.481	S	S	.	.			trans	-106.7	125.8	176.8	-68.3	-88.4	0	0	0	110.9	K494 L628	K494-F496 HydrophobicContact CB-CE2 4.03Å; K494-F496 HydrophobicContact CB-CZ 4.43Å; K494-F496 WeakPolarHBondContact O-CD2 3.46Å; F496-L628 HydrophobicContact CD1-CD1 4.05Å; F496-L628 HydrophobicContact CE1-CD1 3.51Å; F496-L628 HydrophobicContact CE2-CD1 4.4Å; F496-L628 HydrophobicContact CZ-CD1 3.71Å; F496-L628 HydrophobicContact CZ-CG 4.42Å
497	M	25.7	Very low	26.5	Very low	83 Å²	83	87.9 Å²	87.9	41%	0.409	48%	0.478	S	S	.	.			trans	-111.8	139.1	173.7	-74.3	-164.1	176.9	0	0	111.6	F163	F163-M497 HydrophobicContact CD2-CE 4.14Å; F163-M497 HydrophobicContact CE2-CE 3.29Å; F163-M497 HydrophobicContact CE2-CG 4.41Å; F163-M497 HydrophobicContact CZ-CE 3.65Å
498	H	25.2	Very low	26.8	Very low	162 Å²	162	88 Å²	88	75%	0.75	48%	0.478	S	S	*	.			trans	-110.6	159.1	151.7	-81.7	-80.6	0	0	0	109.6
499	S	23.4	Very low	26.9	Very low	108 Å²	108	88.5 Å²	88.5	76%	0.755	48%	0.484	S	S	*	.			trans	-59.2	132.9	-167.8	54.6	0	0	0	0	114.1
500	P	25.3	Very low	27.2	Very low	102 Å²	102	88.9 Å²	88.9	66%	0.662	48%	0.482	S	S	*	.			trans	-77.5	146.1	-176	31.3	-35.9	0	0	0	113.4
501	I	23.1	Very low	27.5	Very low	130 Å²	130	89.8 Å²	89.8	67%	0.667	49%	0.492	S	S	*	.			trans	-111.4	118	167.3	-61.6	178.4	0	0	0	107.3
502	R	23.5	Very low	27.7	Very low	177 Å²	177	92.5 Å²	92.5	67%	0.668	51%	0.507	S	S	*	.			trans	-75.7	133.4	-168.1	-60.3	176.5	-179.9	-161.3	-7.3	113.3	P139	P139-R502 HydrophobicContact CG-CG 4.29Å
503	M	23.4	Very low	28	Very low	19 Å²	19	97.5 Å²	97.5	9%	0.094	54%	0.536	C	S	.	.			trans	-148.1	140.3	169.8	-68.6	170.8	-80.7	0	0	113.1	C558 L559 K560 H615	M503-C558 WeakPolarHBondContact CE-O 3.42Å; M503-L559 HydrophobicContact CE-CD2 3.72Å; M503-L559 WeakPolarHBondContact SD-CA 3.4Å; M503-L559 HydrophobicContact SD-CB 4.47Å; M503-K560 HydrophobicContact CB-CD 4.36Å; M503-K560 HydrophobicContact CB-CG 4.49Å; M503-K560 HydrophobicContact CG-CB 4.04Å; M503-K560 HydrophobicContact CG-CD 4.04Å; M503-K560 HydrophobicContact CG-CG 3.84Å; M503-K560 HydrophobicContact SD-CB 3.98Å; M503-K560 HydrophobicContact SD-CG 3.84Å; M503-K560 PolarHBondContact SD-N 2.87Å; M503-H615 WeakPolarHBondContact CE-O 3.44Å; M503-H615 PolarHBondContact O-CD2 3.42Å
504	V	23.7	Very low	28.9	Very low	93 Å²	93	97.8 Å²	97.8	56%	0.564	54%	0.535	S	S	*	.			trans	-97.5	142.8	177.8	-171	0	0	0	0	110.6	K560	V504-K560 WeakPolarHBondContact O-CE 3.5Å; V504-K560 PolarHBondContact O-NZ 2.88Å
505	A	24.6	Very low	29.9	Very low	68 Å²	68	100 Å²	100	56%	0.562	54%	0.54	S	S	*	.			trans	-62.9	169.3	171.2	0	0	0	0	0	113.1
506	L	25.7	Very low	31.2	Very low	76 Å²	76	98.1 Å²	98.1	40%	0.398	53%	0.528	S	S	.	.			trans	-133.1	145.5	179.8	-72.7	176.1	0	0	0	111.7
507	P	25.5	Very low	32.7	Very low	98 Å²	98	93.7 Å²	93.7	64%	0.636	51%	0.509	S	S	*	.			trans	-76	167.3	-172.7	32.3	-37.4	0	0	0	113.7	N472 S509	N472-P507 PolarHBondContact OD1-O 2.71Å; P507-S509 PolarHBondContact O-N 2.71Å
508	I	30.1	Very low	34.5	Very low	99 Å²	99	89.7 Å²	89.7	51%	0.508	49%	0.489	S	S	.	.			trans	-82	108.5	-170.3	-63.5	171.5	0	0	0	112	N472 W474	N472-I508 WeakPolarHBondContact OD1-CA 3.46Å; W474-I508 HydrophobicContact CZ2-CD1 4.02Å
509	S	30.1	Very low	36.3	Very low	46 Å²	46	82 Å²	82	32%	0.322	45%	0.453	S	S	.	.			trans	-68.1	141.6	160.9	174.6	0	0	0	0	111.6	G470 N472 P507	G470-S509 VanDerWaalsContact O-CB 3.27Å; G470-S509 WeakPolarHBondContact O-CB 3.43Å; N472-S509 PolarHBondContact ND2-N 2.91Å; N472-S509 PolarHBondContact ND2-O 2.85Å; N472-S509 PolarHBondContact OD1-N 2.89Å; P507-S509 PolarHBondContact O-N 2.71Å
510	T	34.4	Very low	38.2	Very low	114 Å²	114	76.9 Å²	76.9	70%	0.699	42%	0.417	S	S	*	.			trans	-110.1	13.3	-172.2	52.1	0	0	0	0	113.9	M512	T510-M512 PolarHBondContact O-N 2.87Å
511	A	34.5	Very low	40.1	Very low	51 Å²	51	72 Å²	72	42%	0.421	39%	0.386	S	S	.	.			trans	-61	124.5	-170.4	0	0	0	0	0	114.3	N513 V514	A511-N513 PolarHBondContact O-N 2.88Å; A511-N513 VanDerWaalsContact O-N 3.08Å; A511-V514 HydrophobicContact CB-CG2 4.32Å
512	M	36.1	Very low	42.3	Very low	163 Å²	163	66.1 Å²	66.1	80%	0.803	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-11	-171.4	-74.9	-173.9	163.2	0	0	116.5	T510	T510-M512 PolarHBondContact O-N 2.87Å
513	N	38.6	Very low	44.3	Very low	162 Å²	162	58.2 Å²	58.2	87%	0.866	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	14.7	-174.2	-81.5	-50.2	0	0	0	114.7	A511 R515	A511-N513 PolarHBondContact O-N 2.88Å; A511-N513 VanDerWaalsContact O-N 3.08Å; N513-R515 PolarHBondContact O-N 3.3Å
514	V	46.2	Very low	46.4	Very low	32 Å²	32	58.9 Å²	58.9	19%	0.194	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-64.4	125.4	174.5	172.7	0	0	0	0	111	D454 A511 W516	D454-V514 HydrophobicContact CB-CG1 4Å; D454-V514 WeakPolarHBondContact OD1-CG1 3.35Å; D454-V514 WeakPolarHBondContact OD2-CG2 3.32Å; A511-V514 HydrophobicContact CB-CG2 4.32Å; V514-W516 HydrophobicContact CB-CZ2 4.4Å; V514-W516 HydrophobicContact CG1-CD2 3.89Å; V514-W516 VanDerWaalsContact CG1-CE2 3.46Å; V514-W516 HydrophobicContact CG1-CG 4.16Å; V514-W516 HydrophobicContact CG1-CH2 4.48Å; V514-W516 HydrophobicContact CG1-CZ2 3.79Å
515	R	51.6	Low	48.7	Very low	175 Å²	175	54.6 Å²	54.6	66%	0.66	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	130	161.6	-73.9	179	-175.3	163.4	4.6	108.4	T455 N513	T455-R515 PolarHBondContact N-O 3.33Å; T455-R515 WeakPolarHBondContact OG1-CB 3.47Å; T455-R515 PolarHBondContact OG1-O 3.49Å; T455-R515 VanDerWaalsContact OG1-O 3.07Å; N513-R515 PolarHBondContact O-N 3.3Å
516	W	56	Low	50.6	Low	4 Å²	4	51.5 Å²	51.5	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.4	177.9	-64.1	87.2	0	0	0	110.3	V391 L399 F452 V453 D454 N472 V514 L531	V391-W516 HydrophobicContact CG1-CD2 4.13Å; V391-W516 HydrophobicContact CG1-CE3 4.26Å; V391-W516 HydrophobicContact CG1-CG 4.42Å; L399-W516 HydrophobicContact CD1-CZ2 4.3Å; L399-W516 HydrophobicContact CD2-CZ2 3.81Å; L399-W516 VanDerWaalsContact CD2-NE1 3.29Å; F452-W516 HydrophobicContact CB-CE3 4.28Å; V453-W516 CarbonylContact O-C 3.58Å; V453-W516 WeakPolarHBondContact O-CA 3.24Å; D454-W516 HydrophobicContact CB-CE3 4.45Å; D454-W516 HydrophobicContact CB-CH2 4.25Å; D454-W516 HydrophobicContact CB-CZ3 4.03Å; N472-W516 HydrophobicContact CB-CH2 4.43Å; V514-W516 HydrophobicContact CB-CZ2 4.4Å; V514-W516 HydrophobicContact CG1-CD2 3.89Å; V514-W516 VanDerWaalsContact CG1-CE2 3.46Å; V514-W516 HydrophobicContact CG1-CG 4.16Å; V514-W516 HydrophobicContact CG1-CH2 4.48Å; V514-W516 HydrophobicContact CG1-CZ2 3.79Å; W516-L531 HydrophobicContact CB-CB 4.01Å; W516-L531 HydrophobicContact CB-CD1 4.4Å; W516-L531 PolarHBondContact O-N 2.7Å
517	L	59.2	Low	52.8	Low	5 Å²	5	48 Å²	48	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.3	165.8	-174	157.9	0	0	0	107.7	Y451 V453 T455 A528 L537 Y588	Y451-L517 HydrophobicContact CE2-CD2 3.8Å; V453-L517 HydrophobicContact CB-CB 4.33Å; V453-L517 PolarHBondContact N-O 2.93Å; V453-L517 PolarHBondContact O-N 3.36Å; T455-L517 HydrophobicContact CG2-CB 3.8Å; L517-A528 HydrophobicContact CD1-CB 4.44Å; L517-A528 HydrophobicContact CD2-CB 3.85Å; L517-A528 HydrophobicContact CG-CB 4.15Å; L517-L537 HydrophobicContact CD1-CD1 3.67Å; L517-L537 HydrophobicContact CG-CD1 3.91Å; L517-Y588 HydrophobicContact CD1-CD1 4.11Å
518	F	64.9	Low	54.9	Low	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	109.6	177.9	169.4	-120.2	0	0	0	108.7	W404 I439 V450 Y451 F452 I520 A528 F529 L531 L534	W404-F518 HydrophobicContact CD2-CE2 4.36Å; W404-F518 AromaticContact CE3-CE2 3.62Å; W404-F518 HydrophobicContact CE3-CE2 3.62Å; W404-F518 AromaticContact CE3-CZ 3.74Å; W404-F518 HydrophobicContact CE3-CZ 3.74Å; W404-F518 HydrophobicContact CH2-CD2 4.18Å; W404-F518 HydrophobicContact CH2-CE1 4.44Å; W404-F518 AromaticContact CH2-CE2 3.83Å; W404-F518 HydrophobicContact CH2-CE2 3.83Å; W404-F518 AromaticContact CH2-CZ 3.99Å; W404-F518 HydrophobicContact CH2-CZ 3.99Å; W404-F518 HydrophobicContact CZ3-CD2 4.14Å; W404-F518 AromaticContact CZ3-CE1 3.93Å; W404-F518 HydrophobicContact CZ3-CE1 3.93Å; W404-F518 AromaticContact CZ3-CE2 3.33Å; W404-F518 HydrophobicContact CZ3-CE2 3.33Å; W404-F518 AromaticContact CZ3-CZ 3.23Å; W404-F518 HydrophobicContact CZ3-CZ 3.23Å; I439-F518 HydrophobicContact CD1-CE1 3.7Å; I439-F518 HydrophobicContact CD1-CZ 4.07Å; V450-F518 HydrophobicContact CB-CD2 4.28Å; V450-F518 HydrophobicContact CB-CE2 3.56Å; V450-F518 HydrophobicContact CB-CZ 4.31Å; V450-F518 HydrophobicContact CG1-CE2 3.49Å; V450-F518 VanDerWaalsContact CG1-CE2 3.49Å; V450-F518 HydrophobicContact CG1-CZ 3.72Å; V450-F518 HydrophobicContact CG2-CE2 4.12Å; Y451-F518 WeakPolarHBondContact O-CA 3.3Å; F452-F518 AromaticContact CD1-CD2 3.98Å; F452-F518 HydrophobicContact CD1-CD2 3.98Å; F452-F518 AromaticContact CE1-CD2 3.42Å; F452-F518 HydrophobicContact CE1-CD2 3.42Å; F452-F518 VanDerWaalsContact CE1-CD2 3.42Å; F452-F518 AromaticContact CE1-CE2 3.83Å; F452-F518 HydrophobicContact CE1-CE2 3.83Å; F452-F518 HydrophobicContact CE1-CG 4.48Å; F452-F518 HydrophobicContact CZ-CD2 4.14Å; F452-F518 HydrophobicContact CZ-CE2 4.14Å; F518-I520 HydrophobicContact CD1-CG1 4.26Å; F518-I520 HydrophobicContact CE1-CD1 3.68Å; F518-I520 HydrophobicContact CE1-CG1 3.58Å; F518-I520 HydrophobicContact CZ-CD1 4.06Å; F518-I520 HydrophobicContact CZ-CG1 3.73Å; F518-A528 CarbonylContact O-C 3.5Å; F518-A528 WeakPolarHBondContact O-CA 3.43Å; F518-F529 HydrophobicContact CD1-CB 4.16Å; F518-F529 HydrophobicContact CD1-CD2 4.1Å; F518-F529 HydrophobicContact CD1-CG 4.4Å; F518-F529 PolarHBondContact N-O 2.81Å; F518-F529 PolarHBondContact O-N 2.74Å; F518-L531 HydrophobicContact CB-CD1 3.82Å; F518-L531 HydrophobicContact CB-CG 3.81Å; F518-L531 HydrophobicContact CD2-CD1 4.49Å; F518-L531 HydrophobicContact CG-CD1 4.27Å; F518-L531 HydrophobicContact CG-CG 4.39Å; F518-L534 HydrophobicContact CD1-CD2 3.67Å; F518-L534 HydrophobicContact CE1-CD2 3.98Å
519	G	61.9	Low	57	Low	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.8	173.6	0	0	0	0	0	111.8	V450 Y451	V450-G519 WeakPolarHBondContact CA-O 3.12Å; V450-G519 WeakPolarHBondContact CB-O 3.38Å; Y451-G519 PolarHBondContact N-O 2.85Å; Y451-G519 VanDerWaalsContact N-O 3.13Å; Y451-G519 PolarHBondContact O-N 2.91Å
520	I	64	Low	58.9	Low	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.6	165.9	-55.4	-177.1	0	0	0	108	V412 I439 L441 V447 V450 F518 K522 S526 A527 F529	V412-I520 HydrophobicContact CG2-CD1 4.47Å; I439-I520 HydrophobicContact CG2-CD1 4.38Å; L441-I520 HydrophobicContact CD1-CG2 4.1Å; L441-I520 HydrophobicContact CD2-CD1 3.89Å; L441-I520 HydrophobicContact CD2-CG2 4.49Å; V447-I520 HydrophobicContact CG1-CG2 3.53Å; V450-I520 HydrophobicContact CG1-CG1 4.32Å; F518-I520 HydrophobicContact CD1-CG1 4.26Å; F518-I520 HydrophobicContact CE1-CD1 3.68Å; F518-I520 HydrophobicContact CE1-CG1 3.58Å; F518-I520 HydrophobicContact CZ-CD1 4.06Å; F518-I520 HydrophobicContact CZ-CG1 3.73Å; I520-K522 HydrophobicContact CG2-CG 4.31Å; I520-S526 WeakPolarHBondContact O-CA 3.47Å; I520-A527 PolarHBondContact N-O 3.28Å; I520-A527 PolarHBondContact O-N 3.41Å; I520-F529 HydrophobicContact CB-CE2 4.25Å; I520-F529 HydrophobicContact CD1-CD2 4.13Å; I520-F529 HydrophobicContact CD1-CE2 3.51Å; I520-F529 HydrophobicContact CD1-CZ 4.09Å; I520-F529 HydrophobicContact CG1-CD2 4.13Å; I520-F529 HydrophobicContact CG1-CE2 3.75Å
521	V	65.4	Low	60.5	Low	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.7	174.1	-175.5	0	0	0	0	109.3	V447 L448 T449 Y451 I551 T554 L573	V447-V521 WeakPolarHBondContact CG1-O 3.47Å; L448-V521 HydrophobicContact CB-CB 4.37Å; L448-V521 HydrophobicContact CB-CG1 4.08Å; L448-V521 HydrophobicContact CD1-CG1 4.13Å; L448-V521 PolarHBondContact N-O 2.67Å; T449-V521 HydrophobicContact CG2-CB 4.09Å; T449-V521 HydrophobicContact CG2-CG2 3.98Å; T449-V521 PolarHBondContact O-N 3.28Å; Y451-V521 HydrophobicContact CD1-CG2 4.05Å; Y451-V521 HydrophobicContact CE1-CG2 3.89Å; V521-I551 HydrophobicContact CG1-CD1 3.77Å; V521-I551 HydrophobicContact CG1-CG2 4.1Å; V521-T554 HydrophobicContact CG1-CG2 3.59Å; V521-T554 HydrophobicContact CG2-CG2 4.35Å; V521-L573 HydrophobicContact CG2-CD2 4.36Å
522	K	68.2	Low	62.2	Low	6 Å²	6	33 Å²	33	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	172.3	179.8	-48	175.5	-151.7	-178.3	0	111	L441 A445 P446 L448 I520 D524 E525 I551	L441-K522 HydrophobicContact CD1-CD 3.96Å; L441-K522 HydrophobicContact CD1-CG 4.28Å; A445-K522 HydrophobicContact CB-CB 4.34Å; A445-K522 HydrophobicContact CB-CD 4.09Å; P446-K522 WeakPolarHBondContact O-CA 3.28Å; P446-K522 WeakPolarHBondContact O-CB 3.33Å; L448-K522 WeakPolarHBondContact CD1-O 3.19Å; I520-K522 HydrophobicContact CG2-CG 4.31Å; K522-D524 WeakPolarHBondContact CB-OD1 3.34Å; K522-D524 PolarHBondContact O-N 3.33Å; K522-E525 WeakPolarHBondContact CB-O 3.45Å; K522-E525 HydrophobicContact CD-CG 3.83Å; K522-E525 WeakPolarHBondContact CG-O 3.25Å; K522-E525 PolarHBondContact N-O 2.85Å; K522-E525 IonicContact NZ-OE1 2.69Å; K522-E525 PolarHBondContact NZ-OE1 2.88Å; K522-I551 WeakPolarHBondContact O-CD1 3.13Å
523	D	65.7	Low	64.1	Low	12 Å²	12	28.8 Å²	28.8	6%	0.064	15%	0.147	C	C	.	.	S	Bend	trans	-47.4	-32.4	169.6	-75.1	4.7	0	0	0	113	R373 R384 P446 R550 I551	R373-D523 IonicContact CZ-OD2 3.49Å; R373-D523 IonicContact NH1-OD2 3.55Å; R373-D523 IonicContact NH2-OD2 3.13Å; R373-D523 PolarHBondContact NH2-OD2 3.04Å; R384-D523 IonicContact CZ-OD1 2.71Å; R384-D523 IonicContact NH1-OD1 3.85Å; R384-D523 IonicContact NH2-OD1 2.71Å; R384-D523 PolarHBondContact NH2-OD1 3.39Å; P446-D523 WeakPolarHBondContact CD-OD2 3.23Å; P446-D523 WeakPolarHBondContact CG-OD2 3.39Å; P446-D523 PolarHBondContact O-N 2.94Å; D523-R550 CarbonylContact O-C 3.44Å; D523-R550 WeakPolarHBondContact O-CA 3.35Å; D523-R550 WeakPolarHBondContact O-CB 3.34Å; D523-R550 IonicContact OD2-NH1 2.69Å; D523-I551 PolarHBondContact O-N 3.07Å
524	D	67.6	Low	65.8	Low	32 Å²	32	22.9 Å²	22.9	17%	0.171	12%	0.116	C	C	.	.	S	Bend	trans	-129.2	-30.1	-164.1	68.6	-36.2	0	0	0	117.1	A445 K522 L543 T544	A445-D524 VanDerWaalsContact CB-OD1 3.29Å; A445-D524 WeakPolarHBondContact CB-OD1 3.48Å; K522-D524 WeakPolarHBondContact CB-OD1 3.34Å; K522-D524 PolarHBondContact O-N 3.33Å; D524-L543 PolarHBondContact O-N 2.73Å; D524-T544 HydrophobicContact CB-CG2 4.09Å
525	E	71.8	Confident	67.1	Low	4 Å²	4	28.1 Å²	28.1	2%	0.019	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147	179.8	67.4	172.6	-161.7	0	0	113.1	H443 K522 Y541 R542	H443-E525 IonicContact CD2-OE1 3.37Å; K522-E525 WeakPolarHBondContact CB-O 3.45Å; K522-E525 HydrophobicContact CD-CG 3.83Å; K522-E525 WeakPolarHBondContact CG-O 3.25Å; K522-E525 PolarHBondContact N-O 2.85Å; K522-E525 IonicContact NZ-OE1 2.69Å; K522-E525 PolarHBondContact NZ-OE1 2.88Å; E525-Y541 CarbonylContact C-O 3.57Å; E525-Y541 VanDerWaalsContact CA-O 3.29Å; E525-Y541 WeakPolarHBondContact CA-O 3.03Å; E525-Y541 WeakPolarHBondContact CB-O 3.39Å; E525-R542 HydrophobicContact CB-CG 3.88Å; E525-R542 IonicContact OE2-CZ 2.7Å; E525-R542 VanDerWaalsContact OE2-CZ 3.26Å; E525-R542 IonicContact OE2-NE 2.78Å; E525-R542 PolarHBondContact OE2-NE 2.94Å; E525-R542 IonicContact OE2-NH2 3.55Å; E525-R542 PolarHBondContact OE2-NH2 2.77Å
526	S	65.8	Low	68	Low	3 Å²	3	23.8 Å²	23.8	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.9	166.8	67.5	0	0	0	0	110.6	I520 K540 Y541	I520-S526 WeakPolarHBondContact O-CA 3.47Å; S526-K540 WeakPolarHBondContact O-CA 3.32Å; S526-Y541 PolarHBondContact N-O 2.98Å; S526-Y541 PolarHBondContact O-N 3.05Å
527	A	70.7	Confident	68.5	Low	2 Å²	2	26.3 Å²	26.3	2%	0.017	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	131	-177	0	0	0	0	0	111.3	I520 F529 K540	I520-A527 PolarHBondContact N-O 3.28Å; I520-A527 PolarHBondContact O-N 3.41Å; A527-F529 HydrophobicContact CB-CE2 3.91Å; A527-F529 HydrophobicContact CB-CZ 4.2Å; A527-F529 WeakPolarHBondContact O-CE2 3.27Å; A527-K540 HydrophobicContact CB-CD 4.42Å; A527-K540 HydrophobicContact CB-CG 4.09Å
528	A	69.8	Low	68.4	Low	3 Å²	3	38.1 Å²	38.1	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.3	179	0	0	0	0	0	112.3	L517 F518 L537 L590	L517-A528 HydrophobicContact CD1-CB 4.44Å; L517-A528 HydrophobicContact CD2-CB 3.85Å; L517-A528 HydrophobicContact CG-CB 4.15Å; F518-A528 CarbonylContact O-C 3.5Å; F518-A528 WeakPolarHBondContact O-CA 3.43Å; A528-L537 HydrophobicContact CB-CB 4.42Å; A528-L537 HydrophobicContact CB-CD1 3.92Å; A528-L537 PolarHBondContact O-N 2.81Å; A528-L590 HydrophobicContact CB-CD1 4.09Å
529	F	74.4	Confident	68.3	Low	29 Å²	29	42.3 Å²	42.3	13%	0.127	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	154.7	-178.4	-53.4	-102.8	0	0	0	109.8	F518 I520 A527 K535 P536	F518-F529 HydrophobicContact CD1-CB 4.16Å; F518-F529 HydrophobicContact CD1-CD2 4.1Å; F518-F529 HydrophobicContact CD1-CG 4.4Å; F518-F529 PolarHBondContact N-O 2.81Å; F518-F529 PolarHBondContact O-N 2.74Å; I520-F529 HydrophobicContact CB-CE2 4.25Å; I520-F529 HydrophobicContact CD1-CD2 4.13Å; I520-F529 HydrophobicContact CD1-CE2 3.51Å; I520-F529 HydrophobicContact CD1-CZ 4.09Å; I520-F529 HydrophobicContact CG1-CD2 4.13Å; I520-F529 HydrophobicContact CG1-CE2 3.75Å; A527-F529 HydrophobicContact CB-CE2 3.91Å; A527-F529 HydrophobicContact CB-CZ 4.2Å; A527-F529 WeakPolarHBondContact O-CE2 3.27Å; F529-K535 CarbonylContact C-O 3.55Å; F529-K535 VanDerWaalsContact CA-O 3.31Å; F529-K535 WeakPolarHBondContact CA-O 3.45Å; F529-P536 HydrophobicContact CD1-CB 3.87Å; F529-P536 HydrophobicContact CE1-CB 3.92Å
530	S	70.1	Confident	68.4	Low	31 Å²	31	47.6 Å²	47.6	22%	0.217	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.7	173.5	56.3	0	0	0	0	112.3	T533 L534 K535	S530-T533 CarbonylContact O-C 3.58Å; S530-T533 PolarHBondContact O-N 2.73Å; S530-T533 PolarHBondContact O-OG1 3.04Å; S530-T533 PolarHBondContact OG-OG1 3.32Å; S530-L534 PolarHBondContact O-N 2.71Å; S530-K535 PolarHBondContact N-O 3.06Å; S530-K535 PolarHBondContact OG-O 3.16Å
531	L	67.7	Low	68.4	Low	3 Å²	3	50.7 Å²	50.7	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	151.3	166.4	-82	172.9	0	0	0	110.8	W404 F452 W516 F518 T533 L534	W404-L531 HydrophobicContact CH2-CD1 4.18Å; W404-L531 HydrophobicContact CH2-CD2 4.17Å; W404-L531 HydrophobicContact CZ2-CD1 4.08Å; F452-L531 HydrophobicContact CD1-CD1 4.07Å; F452-L531 HydrophobicContact CE1-CD1 4.12Å; W516-L531 HydrophobicContact CB-CB 4.01Å; W516-L531 HydrophobicContact CB-CD1 4.4Å; W516-L531 PolarHBondContact O-N 2.7Å; F518-L531 HydrophobicContact CB-CD1 3.82Å; F518-L531 HydrophobicContact CB-CG 3.81Å; F518-L531 HydrophobicContact CD2-CD1 4.49Å; F518-L531 HydrophobicContact CG-CD1 4.27Å; F518-L531 HydrophobicContact CG-CG 4.39Å; L531-T533 VanDerWaalsContact C-N 3.3Å; L531-L534 HydrophobicContact CD2-CD2 3.71Å; L531-L534 HydrophobicContact CD2-CG 4.35Å; L531-L534 HydrophobicContact CG-CD2 4.37Å
532	P	71.4	Confident	68.4	Low	28 Å²	28	56.4 Å²	56.4	18%	0.182	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	cis	-76.3	-6.3	-4.4	27	-31.1	0	0	0	113.9	I393 P395 K437 L534	I393-P532 VanDerWaalsContact O-CB 3.3Å; I393-P532 WeakPolarHBondContact O-CB 3.44Å; P395-P532 HydrophobicContact CB-CG 4.16Å; P395-P532 HydrophobicContact CG-CB 4.14Å; P395-P532 HydrophobicContact CG-CG 4.04Å; K437-P532 PolarHBondContact NZ-O 3.13Å; P532-L534 PolarHBondContact O-N 3.44Å
533	T	75.2	Confident	68.2	Low	73 Å²	73	56.6 Å²	56.6	45%	0.448	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.2	-167.4	72.5	0	0	0	0	116.3	S530 L531 K535	S530-T533 CarbonylContact O-C 3.58Å; S530-T533 PolarHBondContact O-N 2.73Å; S530-T533 PolarHBondContact O-OG1 3.04Å; S530-T533 PolarHBondContact OG-OG1 3.32Å; L531-T533 VanDerWaalsContact C-N 3.3Å; T533-K535 PolarHBondContact O-N 3.17Å; T533-K535 VanDerWaalsContact O-N 3.16Å; T533-K535 WeakPolarHBondContact OG1-CG 3.38Å; T533-K535 PolarHBondContact OG1-N 3.19Å
534	L	73.9	Confident	67.5	Low	39 Å²	39	60.3 Å²	60.3	20%	0.204	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	25.1	-167.9	-63	-177.4	0	0	0	114.6	K437 I439 F518 S530 L531 P532	K437-L534 HydrophobicContact CD-CD1 3.52Å; K437-L534 HydrophobicContact CD-CG 4.2Å; I439-L534 HydrophobicContact CD1-CD1 3.51Å; I439-L534 HydrophobicContact CD1-CD2 4.06Å; I439-L534 HydrophobicContact CD1-CG 4.46Å; I439-L534 HydrophobicContact CG1-CD1 3.78Å; F518-L534 HydrophobicContact CD1-CD2 3.67Å; F518-L534 HydrophobicContact CE1-CD2 3.98Å; S530-L534 PolarHBondContact O-N 2.71Å; L531-L534 HydrophobicContact CD2-CD2 3.71Å; L531-L534 HydrophobicContact CD2-CG 4.35Å; L531-L534 HydrophobicContact CG-CD2 4.37Å; P532-L534 PolarHBondContact O-N 3.44Å
535	K	74.8	Confident	66.8	Low	141 Å²	141	63.3 Å²	63.3	61%	0.613	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	125	170.6	-72.3	175.6	-179.9	-180	0	108.3	F529 S530 T533 L537	F529-K535 CarbonylContact C-O 3.55Å; F529-K535 VanDerWaalsContact CA-O 3.31Å; F529-K535 WeakPolarHBondContact CA-O 3.45Å; S530-K535 PolarHBondContact N-O 3.06Å; S530-K535 PolarHBondContact OG-O 3.16Å; T533-K535 PolarHBondContact O-N 3.17Å; T533-K535 VanDerWaalsContact O-N 3.16Å; T533-K535 WeakPolarHBondContact OG1-CG 3.38Å; T533-K535 PolarHBondContact OG1-N 3.19Å; K535-L537 PolarHBondContact O-N 2.89Å
536	P	70.2	Confident	66	Low	84 Å²	84	67.3 Å²	67.3	55%	0.545	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	134.8	177.1	26.8	-33.6	0	0	0	109.6	F529	F529-P536 HydrophobicContact CD1-CB 3.87Å; F529-P536 HydrophobicContact CE1-CB 3.92Å
537	L	65.4	Low	65.5	Low	58 Å²	58	76.2 Å²	76.2	30%	0.304	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	157.5	167.4	-62.4	176.6	0	0	0	108.9	L517 A528 K535 Q539	L517-L537 HydrophobicContact CD1-CD1 3.67Å; L517-L537 HydrophobicContact CG-CD1 3.91Å; A528-L537 HydrophobicContact CB-CB 4.42Å; A528-L537 HydrophobicContact CB-CD1 3.92Å; A528-L537 PolarHBondContact O-N 2.81Å; K535-L537 PolarHBondContact O-N 2.89Å; L537-Q539 VanDerWaalsContact C-N 3.26Å; L537-Q539 PolarHBondContact O-N 2.85Å
538	R	57.9	Low	65.5	Low	252 Å²	252	78 Å²	78	95%	0.951	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	-28.2	-175.4	-81	-175.5	172.6	174.1	-2.6	112.5
539	Q	62.1	Low	65.9	Low	88 Å²	88	78.5 Å²	78.5	41%	0.411	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.4	176.8	-64.4	107.8	-48.1	0	0	112.3	L537 A589 L590	L537-Q539 VanDerWaalsContact C-N 3.26Å; L537-Q539 PolarHBondContact O-N 2.85Å; Q539-A589 WeakPolarHBondContact CB-O 3.47Å; Q539-A589 VanDerWaalsContact CG-O 3.25Å; Q539-A589 WeakPolarHBondContact CG-O 3.46Å; Q539-L590 HydrophobicContact CB-CB 4.34Å
540	K	63.6	Low	66.1	Low	111 Å²	111	81.6 Å²	81.6	48%	0.483	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.3	164.3	-66.4	-177.1	177.6	-172.9	0	106.9	S526 A527	S526-K540 WeakPolarHBondContact O-CA 3.32Å; A527-K540 HydrophobicContact CB-CD 4.42Å; A527-K540 HydrophobicContact CB-CG 4.09Å
541	Y	65.7	Low	66.8	Low	65 Å²	65	80.2 Å²	80.2	26%	0.255	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.3	172.1	-173.3	-102	0	0	0	109.9	E525 S526 L543 F585 P592	E525-Y541 CarbonylContact C-O 3.57Å; E525-Y541 VanDerWaalsContact CA-O 3.29Å; E525-Y541 WeakPolarHBondContact CA-O 3.03Å; E525-Y541 WeakPolarHBondContact CB-O 3.39Å; S526-Y541 PolarHBondContact N-O 2.98Å; S526-Y541 PolarHBondContact O-N 3.05Å; Y541-L543 HydrophobicContact CD1-CD1 3.93Å; Y541-L543 HydrophobicContact CD1-CG 4.34Å; Y541-L543 HydrophobicContact CE1-CD1 3.89Å; Y541-L543 HydrophobicContact CE1-CG 3.8Å; Y541-F585 HydrophobicContact CD1-CD1 4.39Å; Y541-F585 AromaticContact CD1-CE1 3.38Å; Y541-F585 HydrophobicContact CD1-CE1 3.38Å; Y541-F585 AromaticContact CD1-CZ 3.57Å; Y541-F585 HydrophobicContact CD1-CZ 3.57Å; Y541-F585 AromaticContact CD2-CE1 3.84Å; Y541-F585 HydrophobicContact CD2-CE1 3.84Å; Y541-F585 AromaticContact CE1-CE1 3.38Å; Y541-F585 HydrophobicContact CE1-CE1 3.38Å; Y541-F585 HydrophobicContact CE1-CE2 4.48Å; Y541-F585 AromaticContact CE1-CZ 3.26Å; Y541-F585 HydrophobicContact CE1-CZ 3.26Å; Y541-F585 AromaticContact CE2-CE1 3.86Å; Y541-F585 HydrophobicContact CE2-CE1 3.86Å; Y541-F585 HydrophobicContact CE2-CZ 4.47Å; Y541-F585 HydrophobicContact CG-CD1 4.37Å; Y541-F585 AromaticContact CG-CE1 3.61Å; Y541-F585 HydrophobicContact CG-CE1 3.61Å; Y541-F585 HydrophobicContact CG-CZ 4.27Å; Y541-F585 AromaticContact CZ-CE1 3.63Å; Y541-F585 AromaticContact CZ-CZ 3.77Å; Y541-P592 HydrophobicContact CE2-CG 4.19Å
542	R	64.8	Low	67.4	Low	120 Å²	120	81.1 Å²	81.1	45%	0.453	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.3	-176.9	-75.1	-176.6	159.1	-157.5	-17.3	108.9	H443 E525 T544	H443-R542 PolarHBondContact NE2-NH2 3.03Å; E525-R542 HydrophobicContact CB-CG 3.88Å; E525-R542 IonicContact OE2-CZ 2.7Å; E525-R542 VanDerWaalsContact OE2-CZ 3.26Å; E525-R542 IonicContact OE2-NE 2.78Å; E525-R542 PolarHBondContact OE2-NE 2.94Å; E525-R542 IonicContact OE2-NH2 3.55Å; E525-R542 PolarHBondContact OE2-NH2 2.77Å; R542-T544 VanDerWaalsContact C-N 3.26Å
543	L	62.8	Low	67.9	Low	11 Å²	11	80.1 Å²	80.1	6%	0.058	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-77.6	-17.5	174	-72	94.6	0	0	0	112	D524 Y541 A545 V546 I551 T577	D524-L543 PolarHBondContact O-N 2.73Å; Y541-L543 HydrophobicContact CD1-CD1 3.93Å; Y541-L543 HydrophobicContact CD1-CG 4.34Å; Y541-L543 HydrophobicContact CE1-CD1 3.89Å; Y541-L543 HydrophobicContact CE1-CG 3.8Å; L543-A545 PolarHBondContact O-N 2.88Å; L543-V546 PolarHBondContact O-N 2.89Å; L543-I551 HydrophobicContact CD1-CD1 3.75Å; L543-I551 HydrophobicContact CD1-CG1 3.69Å; L543-I551 HydrophobicContact CD2-CG1 4.35Å; L543-T577 HydrophobicContact CD2-CG2 3.61Å
544	T	52.3	Low	68.2	Low	90 Å²	90	77.2 Å²	77.2	55%	0.552	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-63	10.3	177.9	28.6	0	0	0	0	116.1	D524 R542	D524-T544 HydrophobicContact CB-CG2 4.09Å; R542-T544 VanDerWaalsContact C-N 3.26Å
545	A	52.1	Low	68.5	Low	94 Å²	94	76.5 Å²	76.5	78%	0.777	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-97.3	-6.1	164.9	0	0	0	0	0	113.4	L543	L543-A545 PolarHBondContact O-N 2.88Å
546	V	54.7	Low	68.6	Low	89 Å²	89	70 Å²	70	54%	0.539	35%	0.354	S	S	.	.	S	Bend	trans	-119.2	121.6	174.6	-175.8	0	0	0	0	107.9	L543 G548 S549	L543-V546 PolarHBondContact O-N 2.89Å; V546-G548 PolarHBondContact O-N 2.64Å; V546-S549 PolarHBondContact O-N 2.86Å
547	E	56.5	Low	68.9	Low	189 Å²	189	66 Å²	66	88%	0.883	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	131.6	-165.6	-64.1	-179.1	139.9	0	0	112.9	S549	E547-S549 PolarHBondContact O-N 2.85Å
548	G	70.5	Confident	69.3	Low	39 Å²	39	64.4 Å²	64.4	40%	0.402	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	-7	177.7	0	0	0	0	0	116.9	V546 N578	V546-G548 PolarHBondContact O-N 2.64Å; G548-N578 PolarHBondContact O-ND2 3.23Å
549	S	78.1	Confident	69.7	Low	15 Å²	15	54.9 Å²	54.9	11%	0.105	29%	0.289	C	S	.	.			trans	-71.8	130.6	-175.5	-167.2	0	0	0	0	112.9	V546 E547 N578	V546-S549 PolarHBondContact O-N 2.86Å; E547-S549 PolarHBondContact O-N 2.85Å; S549-N578 WeakPolarHBondContact CA-OD1 3.21Å
550	R	79.3	Confident	69.8	Low	93 Å²	93	52.4 Å²	52.4	35%	0.351	28%	0.277	S	S	.	.			trans	-137.2	145	179.6	-63.4	177.5	-176.9	-96.7	-2.4	110.1	D523 T577 N578	D523-R550 CarbonylContact O-C 3.44Å; D523-R550 WeakPolarHBondContact O-CA 3.35Å; D523-R550 WeakPolarHBondContact O-CB 3.34Å; D523-R550 IonicContact OD2-NH1 2.69Å; R550-T577 CarbonylContact O-C 3.51Å; R550-T577 WeakPolarHBondContact O-CA 3.43Å; R550-T577 VanDerWaalsContact O-CB 3.32Å; R550-T577 WeakPolarHBondContact O-CB 3.46Å; R550-N578 HydrophobicContact CB-CB 4.37Å; R550-N578 PolarHBondContact N-OD1 3.05Å; R550-N578 PolarHBondContact O-N 3.23Å; R550-N578 PolarHBondContact O-OD1 3.01Å
551	I	83.5	Confident	69.3	Low	3 Å²	3	52.2 Å²	52.2	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.9	170.3	-52.4	-174.6	0	0	0	109.4	L448 V521 K522 D523 L543 T554 V575	L448-I551 HydrophobicContact CD1-CB 3.59Å; L448-I551 HydrophobicContact CD1-CG2 3.49Å; L448-I551 VanDerWaalsContact CD1-CG2 3.49Å; L448-I551 WeakPolarHBondContact CD1-O 3.49Å; V521-I551 HydrophobicContact CG1-CD1 3.77Å; V521-I551 HydrophobicContact CG1-CG2 4.1Å; K522-I551 WeakPolarHBondContact O-CD1 3.13Å; D523-I551 PolarHBondContact O-N 3.07Å; L543-I551 HydrophobicContact CD1-CD1 3.75Å; L543-I551 HydrophobicContact CD1-CG1 3.69Å; L543-I551 HydrophobicContact CD2-CG1 4.35Å; I551-T554 HydrophobicContact CG2-CG2 3.58Å; I551-V575 HydrophobicContact CB-CG1 4.27Å; I551-V575 HydrophobicContact CD1-CG1 3.8Å; I551-V575 HydrophobicContact CG1-CG1 3.71Å; I551-V575 HydrophobicContact CG2-CG1 3.81Å
552	I	81.7	Confident	68.7	Low	22 Å²	22	51.5 Å²	51.5	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-51.7	173.6	-67.4	-63.9	0	0	0	110.6	L576 N578 V607 L608	I552-L576 PolarHBondContact N-O 2.86Å; I552-N578 HydrophobicContact CD1-CB 4.06Å; I552-N578 HydrophobicContact CG1-CB 3.84Å; I552-V607 HydrophobicContact CB-CG1 4.37Å; I552-V607 HydrophobicContact CG1-CG1 4.14Å; I552-V607 HydrophobicContact CG2-CG1 4.29Å; I552-L608 HydrophobicContact CG2-CD2 4.1Å
553	K	80.5	Confident	68.1	Low	7 Å²	7	51 Å²	51	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.9	178.8	-79.8	173.2	-172.1	-177	0	110.8	V480 L576 L608 S609 A610 L612	V480-K553 VanDerWaalsContact O-CG 3.29Å; V480-K553 WeakPolarHBondContact O-CG 3.1Å; K553-L576 HydrophobicContact CB-CB 4.4Å; K553-L576 PolarHBondContact N-O 3.04Å; K553-L576 PolarHBondContact O-N 2.81Å; K553-L608 WeakPolarHBondContact CE-O 3.46Å; K553-L608 PolarHBondContact NZ-O 3.39Å; K553-S609 PolarHBondContact NZ-O 3.05Å; K553-A610 WeakPolarHBondContact CD-O 3.4Å; K553-A610 WeakPolarHBondContact CE-O 3.5Å; K553-A610 PolarHBondContact NZ-O 2.99Å; K553-L612 HydrophobicContact CB-CD1 4.11Å
554	T	81.9	Confident	67.4	Low	12 Å²	12	56 Å²	56	7%	0.074	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.9	169.6	56.3	0	0	0	0	110.8	T449 V521 I551 L574 V575	T449-T554 VanDerWaalsContact CG2-OG1 3.24Å; T449-T554 WeakPolarHBondContact CG2-OG1 3.21Å; V521-T554 HydrophobicContact CG1-CG2 3.59Å; V521-T554 HydrophobicContact CG2-CG2 4.35Å; I551-T554 HydrophobicContact CG2-CG2 3.58Å; T554-L574 WeakPolarHBondContact CA-O 3.19Å; T554-L574 VanDerWaalsContact CB-O 3.3Å; T554-L574 WeakPolarHBondContact CB-O 3.46Å; T554-V575 HydrophobicContact CG2-CB 4.33Å; T554-V575 HydrophobicContact CG2-CG1 4.29Å; T554-V575 HydrophobicContact CG2-CG2 3.95Å
555	Q	80.8	Confident	67.2	Low	23 Å²	23	55.9 Å²	55.9	11%	0.107	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.5	172	179.7	54.4	36.8	0	0	108.9	V557 L574 L612	Q555-V557 HydrophobicContact CG-CG2 3.97Å; Q555-L574 PolarHBondContact N-O 3.38Å; Q555-L574 VanDerWaalsContact N-O 3.12Å; Q555-L574 WeakPolarHBondContact O-CB 3.48Å; Q555-L574 PolarHBondContact O-N 3.46Å; Q555-L612 HydrophobicContact CB-CB 3.59Å; Q555-L612 HydrophobicContact CB-CD1 4.3Å; Q555-L612 HydrophobicContact CG-CB 4.37Å
556	M	77.2	Confident	67	Low	6 Å²	6	57.4 Å²	57.4	3%	0.03	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.5	170.5	-169.8	161.5	50.9	0	0	109	Y451 V453 L473	Y451-M556 HydrophobicContact CD2-SD 3.97Å; Y451-M556 HydrophobicContact CG-SD 4.31Å; V453-M556 HydrophobicContact CG2-CE 3.99Å; V453-M556 HydrophobicContact CG2-SD 3.31Å; V453-M556 WeakPolarHBondContact CG2-SD 3.24Å; L473-M556 HydrophobicContact CD1-CE 3.65Å; L473-M556 HydrophobicContact CD1-CG 4.05Å; L473-M556 HydrophobicContact CD1-SD 3.92Å; L473-M556 HydrophobicContact CG-CE 3.91Å
557	V	76.2	Confident	66.9	Low	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.8	-171.7	174.1	0	0	0	0	109.2	Q555 L559 F572 L574 T613	Q555-V557 HydrophobicContact CG-CG2 3.97Å; V557-L559 HydrophobicContact CG1-CD2 3.62Å; V557-L559 HydrophobicContact CG1-CG 4.17Å; V557-F572 PolarHBondContact N-O 3.12Å; V557-F572 PolarHBondContact O-N 2.87Å; V557-L574 HydrophobicContact CB-CD1 4.41Å; V557-L574 HydrophobicContact CB-CG 4.21Å; V557-L574 HydrophobicContact CG2-CD1 3.6Å; V557-L574 HydrophobicContact CG2-CG 3.69Å; V557-T613 VanDerWaalsContact CG2-O 3.23Å; V557-T613 WeakPolarHBondContact CG2-O 3.44Å
558	C	72.4	Confident	66.9	Low	24 Å²	24	53 Å²	53	16%	0.162	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123	173.1	-159.2	0	0	0	0	107.3	M503 Q570	M503-C558 WeakPolarHBondContact CE-O 3.42Å; C558-Q570 CarbonylContact C-O 3.49Å; C558-Q570 WeakPolarHBondContact CA-O 3.5Å
559	L	67.7	Low	66.6	Low	52 Å²	52	52.3 Å²	52.3	27%	0.272	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.6	171.5	-50	175.9	0	0	0	109.8	M503 V557 Q570 F572 F617	M503-L559 HydrophobicContact CE-CD2 3.72Å; M503-L559 WeakPolarHBondContact SD-CA 3.4Å; M503-L559 HydrophobicContact SD-CB 4.47Å; V557-L559 HydrophobicContact CG1-CD2 3.62Å; V557-L559 HydrophobicContact CG1-CG 4.17Å; L559-Q570 PolarHBondContact N-O 2.82Å; L559-Q570 PolarHBondContact O-N 2.71Å; L559-F572 HydrophobicContact CB-CD2 3.92Å; L559-F572 HydrophobicContact CB-CE2 3.52Å; L559-F572 HydrophobicContact CB-CZ 4.45Å; L559-F572 HydrophobicContact CD1-CD2 3.71Å; L559-F572 HydrophobicContact CD1-CE2 3.73Å; L559-F572 HydrophobicContact CD1-CG 4.26Å; L559-F572 HydrophobicContact CD1-CZ 4.26Å; L559-F572 HydrophobicContact CG-CD2 3.55Å; L559-F572 HydrophobicContact CG-CE2 3.67Å; L559-F572 HydrophobicContact CG-CG 4.47Å; L559-F617 HydrophobicContact CD1-CE2 4.33Å; L559-F617 HydrophobicContact CD2-CE2 4.32Å
560	K	63.8	Low	66.3	Low	35 Å²	35	57.3 Å²	57.3	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.8	176	-61	-173.4	-169.4	-170.9	0	109.1	M503 V504 S562 C569	M503-K560 HydrophobicContact CB-CD 4.36Å; M503-K560 HydrophobicContact CB-CG 4.49Å; M503-K560 HydrophobicContact CG-CB 4.04Å; M503-K560 HydrophobicContact CG-CD 4.04Å; M503-K560 HydrophobicContact CG-CG 3.84Å; M503-K560 HydrophobicContact SD-CB 3.98Å; M503-K560 HydrophobicContact SD-CG 3.84Å; M503-K560 PolarHBondContact SD-N 2.87Å; V504-K560 WeakPolarHBondContact O-CE 3.5Å; V504-K560 PolarHBondContact O-NZ 2.88Å; K560-S562 VanDerWaalsContact C-N 3.32Å; K560-S562 PolarHBondContact O-N 2.8Å; K560-C569 HydrophobicContact CG-CB 4.09Å
561	C	53.8	Low	66	Low	107 Å²	107	53.3 Å²	53.3	72%	0.723	31%	0.307	S	S	*	.	S	Bend	trans	-74.8	-20.3	-172	-160.9	0	0	0	0	113.9	N568	C561-N568 PolarHBondContact N-O 3.41Å
562	S	51.5	Low	65.9	Low	50 Å²	50	53.9 Å²	53.9	35%	0.35	31%	0.309	S	S	.	.			trans	-152	171.7	169.4	78.4	0	0	0	0	110.6	K560 V564 D565	K560-S562 VanDerWaalsContact C-N 3.32Å; K560-S562 PolarHBondContact O-N 2.8Å; S562-V564 PolarHBondContact O-N 3.13Å; S562-V564 PolarHBondContact OG-N 2.86Å; S562-V564 VanDerWaalsContact OG-N 3.14Å; S562-D565 PolarHBondContact OG-N 2.97Å; S562-D565 VanDerWaalsContact OG-N 3.11Å
563	S	53.9	Low	65.8	Low	109 Å²	109	53 Å²	53	76%	0.762	31%	0.305	S	S	*	.	S	Bend	trans	-74	-11.7	170.3	49.5	0	0	0	0	113.7	H566	S563-H566 PolarHBondContact O-CE1 3.02Å
564	V	47.9	Very low	66	Low	118 Å²	118	52.8 Å²	52.8	72%	0.715	30%	0.304	S	S	*	.	S	Bend	trans	-102	-43.8	-169.4	-171.4	0	0	0	0	111.6	S562 H566	S562-V564 PolarHBondContact O-N 3.13Å; S562-V564 PolarHBondContact OG-N 2.86Å; S562-V564 VanDerWaalsContact OG-N 3.14Å; V564-H566 PolarHBondContact O-N 3.02Å
565	D	47.2	Very low	66.2	Low	86 Å²	86	52.3 Å²	52.3	46%	0.46	30%	0.301	S	S	.	.			trans	-88.6	96.6	179	-90	-44.5	0	0	0	111.6	S562 S567	S562-D565 PolarHBondContact OG-N 2.97Å; S562-D565 VanDerWaalsContact OG-N 3.11Å; D565-S567 PolarHBondContact O-N 2.87Å
566	H	48	Very low	66.4	Low	127 Å²	127	51.3 Å²	51.3	59%	0.588	30%	0.296	S	S	*	.	S	Bend	trans	-70.9	-14.6	175.9	-64.2	-2	0	0	0	113.8	S563 V564	S563-H566 PolarHBondContact O-CE1 3.02Å; V564-H566 PolarHBondContact O-N 3.02Å
567	S	52.2	Low	66.9	Low	85 Å²	85	51.1 Å²	51.1	59%	0.594	30%	0.296	S	S	*	.	S	Bend	trans	-75.8	-42.6	178.8	53	0	0	0	0	113.3	D565 C569	D565-S567 PolarHBondContact O-N 2.87Å; S567-C569 VanDerWaalsContact C-N 3.35Å; S567-C569 PolarHBondContact O-N 2.84Å
568	N	57.5	Low	67.3	Low	99 Å²	99	53.2 Å²	53.2	53%	0.529	31%	0.307	S	S	.	.			trans	-85.8	73	-174.5	-84.6	-48.6	0	0	0	112.3	C561	C561-N568 PolarHBondContact N-O 3.41Å
569	C	64.2	Low	68	Low	25 Å²	25	54.7 Å²	54.7	17%	0.169	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.2	169.9	62.7	0	0	0	0	111.4	K560 S567	K560-C569 HydrophobicContact CG-CB 4.09Å; S567-C569 VanDerWaalsContact C-N 3.35Å; S567-C569 PolarHBondContact O-N 2.84Å
570	Q	71.4	Confident	68.8	Low	120 Å²	120	52.2 Å²	52.2	56%	0.561	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	149.1	175.5	-68.7	-176.3	-0.2	0	0	109.9	C558 L559 F572	C558-Q570 CarbonylContact C-O 3.49Å; C558-Q570 WeakPolarHBondContact CA-O 3.5Å; L559-Q570 PolarHBondContact N-O 2.82Å; L559-Q570 PolarHBondContact O-N 2.71Å; Q570-F572 VanDerWaalsContact C-CE2 3.44Å; Q570-F572 HydrophobicContact CB-CE2 3.41Å; Q570-F572 VanDerWaalsContact CB-CE2 3.41Å; Q570-F572 HydrophobicContact CB-CZ 3.45Å; Q570-F572 VanDerWaalsContact CB-CZ 3.45Å; Q570-F572 VanDerWaalsContact O-CE2 3.31Å; Q570-F572 WeakPolarHBondContact O-CE2 3.36Å
571	R	72.7	Confident	69.9	Low	10 Å²	10	52 Å²	52	4%	0.038	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.7	-175.3	-63.7	-176.8	-176.2	79.8	18.4	110.6	V471 L473 V587 Y588	V471-R571 PolarHBondContact O-NH2 2.96Å; L473-R571 HydrophobicContact CD1-CG 4.43Å; R571-V587 VanDerWaalsContact C-CG2 3.49Å; R571-V587 HydrophobicContact CB-CB 4.21Å; R571-V587 HydrophobicContact CB-CG2 4.06Å; R571-V587 WeakPolarHBondContact O-CB 3.17Å; R571-V587 VanDerWaalsContact O-CG2 3.3Å; R571-V587 WeakPolarHBondContact O-CG2 3.38Å; R571-V587 PolarHBondContact O-N 3.08Å; R571-Y588 PolarHBondContact NH1-OH 2.78Å
572	F	80.6	Confident	71.5	Confident	15 Å²	15	47.9 Å²	47.9	7%	0.066	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.3	-174.1	-54.5	-89.1	0	0	0	110.5	V557 L559 Q570 F585 V587 I593	V557-F572 PolarHBondContact N-O 3.12Å; V557-F572 PolarHBondContact O-N 2.87Å; L559-F572 HydrophobicContact CB-CD2 3.92Å; L559-F572 HydrophobicContact CB-CE2 3.52Å; L559-F572 HydrophobicContact CB-CZ 4.45Å; L559-F572 HydrophobicContact CD1-CD2 3.71Å; L559-F572 HydrophobicContact CD1-CE2 3.73Å; L559-F572 HydrophobicContact CD1-CG 4.26Å; L559-F572 HydrophobicContact CD1-CZ 4.26Å; L559-F572 HydrophobicContact CG-CD2 3.55Å; L559-F572 HydrophobicContact CG-CE2 3.67Å; L559-F572 HydrophobicContact CG-CG 4.47Å; Q570-F572 VanDerWaalsContact C-CE2 3.44Å; Q570-F572 HydrophobicContact CB-CE2 3.41Å; Q570-F572 VanDerWaalsContact CB-CE2 3.41Å; Q570-F572 HydrophobicContact CB-CZ 3.45Å; Q570-F572 VanDerWaalsContact CB-CZ 3.45Å; Q570-F572 VanDerWaalsContact O-CE2 3.31Å; Q570-F572 WeakPolarHBondContact O-CE2 3.36Å; F572-F585 CarbonylContact C-O 3.54Å; F572-F585 VanDerWaalsContact CA-O 3.24Å; F572-F585 WeakPolarHBondContact CA-O 3.23Å; F572-V587 VanDerWaalsContact C-CG2 3.44Å; F572-I593 HydrophobicContact CD1-CD1 3.74Å; F572-I593 HydrophobicContact CE1-CD1 3.48Å; F572-I593 VanDerWaalsContact CE1-CD1 3.48Å
573	L	81.6	Confident	73.1	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.5	168.2	-178.7	69.2	0	0	0	107.4	Y451 V521 V575 F585 V587	Y451-L573 HydrophobicContact CD1-CD1 4.11Å; Y451-L573 HydrophobicContact CE1-CD1 4.04Å; Y451-L573 HydrophobicContact CE1-CD2 3.72Å; Y451-L573 HydrophobicContact CE1-CG 4.47Å; V521-L573 HydrophobicContact CG2-CD2 4.36Å; L573-V575 HydrophobicContact CD2-CG2 4.17Å; L573-V575 HydrophobicContact CG-CG2 4.04Å; L573-F585 HydrophobicContact CB-CB 4.37Å; L573-F585 PolarHBondContact N-O 2.66Å; L573-F585 PolarHBondContact O-N 2.86Å; L573-V587 HydrophobicContact CB-CG2 4.21Å
574	L	84.3	Confident	74.5	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.2	169.3	-58.4	-164.8	0	0	0	109.5	T554 Q555 V557 L582 T583 A584 L612 F617	T554-L574 WeakPolarHBondContact CA-O 3.19Å; T554-L574 VanDerWaalsContact CB-O 3.3Å; T554-L574 WeakPolarHBondContact CB-O 3.46Å; Q555-L574 PolarHBondContact N-O 3.38Å; Q555-L574 VanDerWaalsContact N-O 3.12Å; Q555-L574 WeakPolarHBondContact O-CB 3.48Å; Q555-L574 PolarHBondContact O-N 3.46Å; V557-L574 HydrophobicContact CB-CD1 4.41Å; V557-L574 HydrophobicContact CB-CG 4.21Å; V557-L574 HydrophobicContact CG2-CD1 3.6Å; V557-L574 HydrophobicContact CG2-CG 3.69Å; L574-L582 HydrophobicContact CB-CD1 4.23Å; L574-T583 WeakPolarHBondContact CA-O 3.09Å; L574-A584 HydrophobicContact CD2-CB 3.6Å; L574-L612 HydrophobicContact CB-CD1 4.43Å; L574-F617 HydrophobicContact CD1-CD1 3.89Å; L574-F617 HydrophobicContact CD1-CE1 3.55Å; L574-F617 HydrophobicContact CD1-CZ 4.07Å; L574-F617 HydrophobicContact CD2-CE1 3.51Å; L574-F617 HydrophobicContact CD2-CZ 3.67Å; L574-F617 HydrophobicContact CG-CE1 4.2Å
575	V	84.8	Confident	76.2	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	111.7	-177.1	-178.2	0	0	0	0	108.6	I551 T554 L573 L582 T583 F585	I551-V575 HydrophobicContact CB-CG1 4.27Å; I551-V575 HydrophobicContact CD1-CG1 3.8Å; I551-V575 HydrophobicContact CG1-CG1 3.71Å; I551-V575 HydrophobicContact CG2-CG1 3.81Å; T554-V575 HydrophobicContact CG2-CB 4.33Å; T554-V575 HydrophobicContact CG2-CG1 4.29Å; T554-V575 HydrophobicContact CG2-CG2 3.95Å; L573-V575 HydrophobicContact CD2-CG2 4.17Å; L573-V575 HydrophobicContact CG-CG2 4.04Å; V575-L582 WeakPolarHBondContact O-CA 3.35Å; V575-T583 PolarHBondContact N-O 2.83Å; V575-T583 PolarHBondContact O-N 2.88Å; V575-F585 HydrophobicContact CB-CD2 4.2Å; V575-F585 HydrophobicContact CB-CE2 3.82Å; V575-F585 HydrophobicContact CG1-CE2 4.47Å; V575-F585 HydrophobicContact CG2-CD2 3.55Å; V575-F585 HydrophobicContact CG2-CE2 3.57Å
576	L	85.2	Confident	77.8	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.9	170.5	179.6	64.2	0	0	0	109.4	I552 K553 V581 L582 I599 V607 A610 L612	I552-L576 PolarHBondContact N-O 2.86Å; K553-L576 HydrophobicContact CB-CB 4.4Å; K553-L576 PolarHBondContact N-O 3.04Å; K553-L576 PolarHBondContact O-N 2.81Å; L576-V581 WeakPolarHBondContact CA-O 3.46Å; L576-L582 HydrophobicContact CB-CD1 4.19Å; L576-L582 HydrophobicContact CD1-CB 4.34Å; L576-I599 HydrophobicContact CD1-CD1 4.44Å; L576-I599 HydrophobicContact CD2-CD1 4.37Å; L576-V607 HydrophobicContact CD2-CG1 4.36Å; L576-V607 HydrophobicContact CG-CG1 4.4Å; L576-A610 HydrophobicContact CD2-CB 3.43Å; L576-A610 VanDerWaalsContact CD2-CB 3.43Å; L576-L612 HydrophobicContact CB-CD1 4.09Å
577	T	87.1	Confident	79.1	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	162.3	179.3	70.4	0	0	0	0	113	L543 R550 L579 G580 V581 V607	L543-T577 HydrophobicContact CD2-CG2 3.61Å; R550-T577 CarbonylContact O-C 3.51Å; R550-T577 WeakPolarHBondContact O-CA 3.43Å; R550-T577 VanDerWaalsContact O-CB 3.32Å; R550-T577 WeakPolarHBondContact O-CB 3.46Å; T577-L579 PolarHBondContact O-N 2.86Å; T577-L579 VanDerWaalsContact O-N 3.14Å; T577-L579 PolarHBondContact OG1-N 2.87Å; T577-G580 PolarHBondContact O-N 3.05Å; T577-V581 PolarHBondContact N-O 2.83Å; T577-V581 WeakPolarHBondContact OG1-CB 3.16Å; T577-V581 PolarHBondContact OG1-N 2.78Å; T577-V581 PolarHBondContact OG1-O 2.91Å; T577-V607 WeakPolarHBondContact O-CG1 3.34Å
578	N	85.4	Confident	80.1	Confident	44 Å²	44	27 Å²	27	24%	0.235	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.6	171.4	66.6	-39.9	0	0	0	113.9	G548 S549 R550 I552 G580	G548-N578 PolarHBondContact O-ND2 3.23Å; S549-N578 WeakPolarHBondContact CA-OD1 3.21Å; R550-N578 HydrophobicContact CB-CB 4.37Å; R550-N578 PolarHBondContact N-OD1 3.05Å; R550-N578 PolarHBondContact O-N 3.23Å; R550-N578 PolarHBondContact O-OD1 3.01Å; I552-N578 HydrophobicContact CD1-CB 4.06Å; I552-N578 HydrophobicContact CG1-CB 3.84Å; N578-G580 VanDerWaalsContact C-N 3.3Å
579	L	87.4	Confident	81	Confident	55 Å²	55	24 Å²	24	29%	0.288	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5	176.4	-57	179.9	0	0	0	112.7	T577 V581 Q597 S601	T577-L579 PolarHBondContact O-N 2.86Å; T577-L579 VanDerWaalsContact O-N 3.14Å; T577-L579 PolarHBondContact OG1-N 2.87Å; L579-V581 VanDerWaalsContact C-N 3.33Å; L579-V581 HydrophobicContact CB-CG2 4.47Å; L579-V581 PolarHBondContact O-N 2.94Å; L579-Q597 PolarHBondContact O-NE2 3.39Å; L579-S601 WeakPolarHBondContact O-CB 3.43Å
580	G	84.9	Confident	81.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	73.3	22.1	-179.8	0	0	0	0	0	114.6	T577 N578 Q597 C598 I599	T577-G580 PolarHBondContact O-N 3.05Å; N578-G580 VanDerWaalsContact C-N 3.3Å; G580-Q597 PolarHBondContact O-NE2 3.13Å; G580-C598 PolarHBondContact O-N 2.9Å; G580-C598 PolarHBondContact O-SG 2.94Å; G580-C598 VanDerWaalsContact O-SG 3.34Å; G580-I599 WeakPolarHBondContact CA-O 3.3Å; G580-I599 PolarHBondContact O-N 3.45Å; G580-I599 VanDerWaalsContact O-N 3.13Å
581	V	86.5	Confident	81.9	Confident	30 Å²	30	24.4 Å²	24.4	18%	0.182	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.1	172.3	-175.8	0	0	0	0	109.1	L576 T577 L579 S595 V596 Q597	L576-V581 WeakPolarHBondContact CA-O 3.46Å; T577-V581 PolarHBondContact N-O 2.83Å; T577-V581 WeakPolarHBondContact OG1-CB 3.16Å; T577-V581 PolarHBondContact OG1-N 2.78Å; T577-V581 PolarHBondContact OG1-O 2.91Å; L579-V581 VanDerWaalsContact C-N 3.33Å; L579-V581 HydrophobicContact CB-CG2 4.47Å; L579-V581 PolarHBondContact O-N 2.94Å; V581-S595 WeakPolarHBondContact CG1-OG 3.31Å; V581-V596 WeakPolarHBondContact CA-O 3.2Å; V581-Q597 VanDerWaalsContact CG2-OE1 3.3Å
582	L	86.7	Confident	82.3	Confident	21 Å²	21	26.3 Å²	26.3	11%	0.11	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.1	171	-178	58.4	0	0	0	109.7	L574 V575 L576 S595 V596 L612 F617	L574-L582 HydrophobicContact CB-CD1 4.23Å; V575-L582 WeakPolarHBondContact O-CA 3.35Å; L576-L582 HydrophobicContact CB-CD1 4.19Å; L576-L582 HydrophobicContact CD1-CB 4.34Å; L582-S595 WeakPolarHBondContact O-CA 3.49Å; L582-V596 PolarHBondContact N-O 3.38Å; L582-V596 PolarHBondContact O-N 2.83Å; L582-L612 HydrophobicContact CD1-CD1 4.25Å; L582-L612 HydrophobicContact CD1-CD2 3.88Å; L582-L612 HydrophobicContact CD2-CD2 4.16Å; L582-F617 HydrophobicContact CD2-CD1 3.9Å; L582-F617 HydrophobicContact CD2-CE1 4.41Å
583	T	85.2	Confident	82.5	Confident	12 Å²	12	30.5 Å²	30.5	7%	0.074	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.7	-178.1	-53.9	0	0	0	0	110.9	L574 V575 F585 P592 L594 S595	L574-T583 WeakPolarHBondContact CA-O 3.09Å; V575-T583 PolarHBondContact N-O 2.83Å; V575-T583 PolarHBondContact O-N 2.88Å; T583-F585 HydrophobicContact CG2-CD2 4Å; T583-F585 HydrophobicContact CG2-CE1 4.33Å; T583-F585 HydrophobicContact CG2-CE2 3.34Å; T583-F585 HydrophobicContact CG2-CZ 3.52Å; T583-P592 HydrophobicContact CG2-CB 3.82Å; T583-L594 CarbonylContact C-O 3.59Å; T583-L594 WeakPolarHBondContact CA-O 3.49Å; T583-L594 WeakPolarHBondContact CG2-O 3.24Å; T583-S595 PolarHBondContact OG1-OG 3.13Å
584	A	84.8	Confident	82.6	Confident	8 Å²	8	35.2 Å²	35.2	7%	0.066	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.6	174.5	0	0	0	0	0	110.2	L574 I593 L594	L574-A584 HydrophobicContact CD2-CB 3.6Å; A584-I593 PolarHBondContact O-N 2.82Å; A584-L594 PolarHBondContact N-O 2.99Å
585	F	82.1	Confident	82.7	Confident	3 Å²	3	38.4 Å²	38.4	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144	178.9	-67	-96.8	0	0	0	111.6	Y541 F572 L573 V575 T583 V587 K591 P592	Y541-F585 HydrophobicContact CD1-CD1 4.39Å; Y541-F585 AromaticContact CD1-CE1 3.38Å; Y541-F585 HydrophobicContact CD1-CE1 3.38Å; Y541-F585 AromaticContact CD1-CZ 3.57Å; Y541-F585 HydrophobicContact CD1-CZ 3.57Å; Y541-F585 AromaticContact CD2-CE1 3.84Å; Y541-F585 HydrophobicContact CD2-CE1 3.84Å; Y541-F585 AromaticContact CE1-CE1 3.38Å; Y541-F585 HydrophobicContact CE1-CE1 3.38Å; Y541-F585 HydrophobicContact CE1-CE2 4.48Å; Y541-F585 AromaticContact CE1-CZ 3.26Å; Y541-F585 HydrophobicContact CE1-CZ 3.26Å; Y541-F585 AromaticContact CE2-CE1 3.86Å; Y541-F585 HydrophobicContact CE2-CE1 3.86Å; Y541-F585 HydrophobicContact CE2-CZ 4.47Å; Y541-F585 HydrophobicContact CG-CD1 4.37Å; Y541-F585 AromaticContact CG-CE1 3.61Å; Y541-F585 HydrophobicContact CG-CE1 3.61Å; Y541-F585 HydrophobicContact CG-CZ 4.27Å; Y541-F585 AromaticContact CZ-CE1 3.63Å; Y541-F585 AromaticContact CZ-CZ 3.77Å; F572-F585 CarbonylContact C-O 3.54Å; F572-F585 VanDerWaalsContact CA-O 3.24Å; F572-F585 WeakPolarHBondContact CA-O 3.23Å; L573-F585 HydrophobicContact CB-CB 4.37Å; L573-F585 PolarHBondContact N-O 2.66Å; L573-F585 PolarHBondContact O-N 2.86Å; V575-F585 HydrophobicContact CB-CD2 4.2Å; V575-F585 HydrophobicContact CB-CE2 3.82Å; V575-F585 HydrophobicContact CG1-CE2 4.47Å; V575-F585 HydrophobicContact CG2-CD2 3.55Å; V575-F585 HydrophobicContact CG2-CE2 3.57Å; T583-F585 HydrophobicContact CG2-CD2 4Å; T583-F585 HydrophobicContact CG2-CE1 4.33Å; T583-F585 HydrophobicContact CG2-CE2 3.34Å; T583-F585 HydrophobicContact CG2-CZ 3.52Å; F585-V587 PolarHBondContact O-N 2.81Å; F585-K591 WeakPolarHBondContact CA-O 3.44Å; F585-P592 HydrophobicContact CD1-CB 4.01Å; F585-P592 HydrophobicContact CE1-CB 3.66Å; F585-P592 HydrophobicContact CE1-CG 4.07Å; F585-P592 HydrophobicContact CZ-CB 4.14Å
586	D	80.3	Confident	82.8	Confident	45 Å²	45	41.7 Å²	41.7	24%	0.241	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128	161.1	-175	-81.6	0	0	0	109.7	Y588 A589 L590 K591 I593	D586-Y588 PolarHBondContact O-N 3.48Å; D586-Y588 WeakPolarHBondContact OD1-CA 3.29Å; D586-Y588 PolarHBondContact OD1-N 3.15Å; D586-A589 HydrophobicContact CB-CB 4.15Å; D586-A589 WeakPolarHBondContact OD1-CB 3.19Å; D586-A589 PolarHBondContact OD1-N 3.38Å; D586-L590 VanDerWaalsContact O-CA 3.23Å; D586-L590 WeakPolarHBondContact O-CA 3.38Å; D586-L590 PolarHBondContact O-N 3.4Å; D586-K591 PolarHBondContact N-O 3.27Å; D586-I593 HydrophobicContact CB-CD1 4.04Å
587	V	75.5	Confident	82.9	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.6	-175.1	157.7	0	0	0	0	113.9	Y451 V453 R571 F572 L573 F585	Y451-V587 HydrophobicContact CE2-CG1 4.35Å; V453-V587 HydrophobicContact CB-CG1 4.09Å; V453-V587 HydrophobicContact CG1-CG1 3.82Å; V453-V587 HydrophobicContact CG2-CG1 3.62Å; R571-V587 VanDerWaalsContact C-CG2 3.49Å; R571-V587 HydrophobicContact CB-CB 4.21Å; R571-V587 HydrophobicContact CB-CG2 4.06Å; R571-V587 WeakPolarHBondContact O-CB 3.17Å; R571-V587 VanDerWaalsContact O-CG2 3.3Å; R571-V587 WeakPolarHBondContact O-CG2 3.38Å; R571-V587 PolarHBondContact O-N 3.08Å; F572-V587 VanDerWaalsContact C-CG2 3.44Å; L573-V587 HydrophobicContact CB-CG2 4.21Å; F585-V587 PolarHBondContact O-N 2.81Å
588	Y	74	Confident	82.7	Confident	69 Å²	69	49.5 Å²	49.5	27%	0.271	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-37.9	-175.8	-48.9	-80.1	0	0	0	111.6	V453 L517 R571 D586	V453-Y588 HydrophobicContact CG1-CD1 4.48Å; V453-Y588 HydrophobicContact CG1-CE1 3.67Å; L517-Y588 HydrophobicContact CD1-CD1 4.11Å; R571-Y588 PolarHBondContact NH1-OH 2.78Å; D586-Y588 PolarHBondContact O-N 3.48Å; D586-Y588 WeakPolarHBondContact OD1-CA 3.29Å; D586-Y588 PolarHBondContact OD1-N 3.15Å
589	A	76.2	Confident	82.6	Confident	36 Å²	36	47.9 Å²	47.9	30%	0.298	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-15.2	-177.6	0	0	0	0	0	114	Q539 D586 K591	Q539-A589 WeakPolarHBondContact CB-O 3.47Å; Q539-A589 VanDerWaalsContact CG-O 3.25Å; Q539-A589 WeakPolarHBondContact CG-O 3.46Å; D586-A589 HydrophobicContact CB-CB 4.15Å; D586-A589 WeakPolarHBondContact OD1-CB 3.19Å; D586-A589 PolarHBondContact OD1-N 3.38Å; A589-K591 HydrophobicContact CB-CB 4.4Å; A589-K591 PolarHBondContact O-N 3.26Å; A589-K591 VanDerWaalsContact O-N 3.13Å
590	L	75.9	Confident	82.4	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	25%	0.254	C	S	.	.			trans	49.6	32.8	-172.4	-69.5	178.5	0	0	0	113.4	A528 Q539 D586	A528-L590 HydrophobicContact CB-CD1 4.09Å; Q539-L590 HydrophobicContact CB-CB 4.34Å; D586-L590 VanDerWaalsContact O-CA 3.23Å; D586-L590 WeakPolarHBondContact O-CA 3.38Å; D586-L590 PolarHBondContact O-N 3.4Å
591	K	78.8	Confident	82.3	Confident	146 Å²	146	49.5 Å²	49.5	64%	0.635	28%	0.276	S	S	*	.			trans	-94.6	131.3	175.5	-172	-172.4	172.6	-171.3	0	109.1	F585 D586 A589	F585-K591 WeakPolarHBondContact CA-O 3.44Å; D586-K591 PolarHBondContact N-O 3.27Å; A589-K591 HydrophobicContact CB-CB 4.4Å; A589-K591 PolarHBondContact O-N 3.26Å; A589-K591 VanDerWaalsContact O-N 3.13Å
592	P	81.4	Confident	82.2	Confident	50 Å²	50	55.4 Å²	55.4	33%	0.325	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.2	170.8	27.7	-32.5	0	0	0	109.9	Y541 T583 F585	Y541-P592 HydrophobicContact CE2-CG 4.19Å; T583-P592 HydrophobicContact CG2-CB 3.82Å; F585-P592 HydrophobicContact CD1-CB 4.01Å; F585-P592 HydrophobicContact CE1-CB 3.66Å; F585-P592 HydrophobicContact CE1-CG 4.07Å; F585-P592 HydrophobicContact CZ-CB 4.14Å
593	I	84.3	Confident	81.8	Confident	103 Å²	103	55.3 Å²	55.3	53%	0.528	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-45.4	179.9	-58.7	174.6	0	0	0	109.9	F572 A584 D586	F572-I593 HydrophobicContact CD1-CD1 3.74Å; F572-I593 HydrophobicContact CE1-CD1 3.48Å; F572-I593 VanDerWaalsContact CE1-CD1 3.48Å; A584-I593 PolarHBondContact O-N 2.82Å; D586-I593 HydrophobicContact CB-CD1 4.04Å
594	L	84.5	Confident	81.6	Confident	102 Å²	102	60.2 Å²	60.2	53%	0.534	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.7	179.5	178.8	63.3	0	0	0	108.9	T583 A584 V596	T583-L594 CarbonylContact C-O 3.59Å; T583-L594 WeakPolarHBondContact CA-O 3.49Å; T583-L594 WeakPolarHBondContact CG2-O 3.24Å; A584-L594 PolarHBondContact N-O 2.99Å; L594-V596 HydrophobicContact CD1-CG2 4.11Å; L594-V596 HydrophobicContact CD2-CG2 4.3Å; L594-V596 HydrophobicContact CG-CG2 4Å
595	S	86	Confident	81	Confident	69 Å²	69	61 Å²	61	48%	0.483	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.8	175	-165.5	0	0	0	0	108.7	V581 L582 T583	V581-S595 WeakPolarHBondContact CG1-OG 3.31Å; L582-S595 WeakPolarHBondContact O-CA 3.49Å; T583-S595 PolarHBondContact OG1-OG 3.13Å
596	V	86.8	Confident	80.7	Confident	73 Å²	73	60.9 Å²	60.9	44%	0.442	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.5	-173.3	-175.9	0	0	0	0	109.3	V581 L582 L594 C598	V581-V596 WeakPolarHBondContact CA-O 3.2Å; L582-V596 PolarHBondContact N-O 3.38Å; L582-V596 PolarHBondContact O-N 2.83Å; L594-V596 HydrophobicContact CD1-CG2 4.11Å; L594-V596 HydrophobicContact CD2-CG2 4.3Å; L594-V596 HydrophobicContact CG-CG2 4Å; V596-C598 PolarHBondContact O-N 2.95Å
597	Q	86.3	Confident	80.6	Confident	113 Å²	113	58.9 Å²	58.9	53%	0.528	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	111.8	165.9	-170.7	75	41.8	0	0	108.1	L579 G580 V581 I599	L579-Q597 PolarHBondContact O-NE2 3.39Å; G580-Q597 PolarHBondContact O-NE2 3.13Å; V581-Q597 VanDerWaalsContact CG2-OE1 3.3Å; Q597-I599 PolarHBondContact NE2-O 2.88Å
598	C	82.9	Confident	80.6	Confident	54 Å²	54	60.6 Å²	60.6	37%	0.365	32%	0.322	S	S	.	.			trans	-113.6	-21	-176.6	61.4	0	0	0	0	114	G580 V596	G580-C598 PolarHBondContact O-N 2.9Å; G580-C598 PolarHBondContact O-SG 2.94Å; G580-C598 VanDerWaalsContact O-SG 3.34Å; V596-C598 PolarHBondContact O-N 2.95Å
599	I	83.4	Confident	80.6	Confident	11 Å²	11	57.3 Å²	57.3	6%	0.056	31%	0.309	C	S	.	.	S	Bend	trans	-135	140.3	178.5	-55.3	170.8	0	0	0	107.7	L576 G580 Q597 F603 V607 A610	L576-I599 HydrophobicContact CD1-CD1 4.44Å; L576-I599 HydrophobicContact CD2-CD1 4.37Å; G580-I599 WeakPolarHBondContact CA-O 3.3Å; G580-I599 PolarHBondContact O-N 3.45Å; G580-I599 VanDerWaalsContact O-N 3.13Å; Q597-I599 PolarHBondContact NE2-O 2.88Å; I599-F603 HydrophobicContact CG2-CB 4.16Å; I599-F603 HydrophobicContact CG2-CD1 3.96Å; I599-V607 HydrophobicContact CB-CG2 3.98Å; I599-V607 HydrophobicContact CD1-CG2 4.17Å; I599-V607 HydrophobicContact CG2-CG2 3.63Å; I599-A610 HydrophobicContact CD1-CB 3.71Å
600	P	83.3	Confident	80.8	Confident	23 Å²	23	55.6 Å²	55.6	15%	0.149	30%	0.295	C	S	.	.			trans	-63.5	139.4	175	-23.4	35.5	0	0	0	112.2	Y602 F603 V626	P600-Y602 HydrophobicContact CB-CD1 3.99Å; P600-Y602 HydrophobicContact CB-CD2 4.27Å; P600-Y602 HydrophobicContact CB-CE1 3.51Å; P600-Y602 HydrophobicContact CB-CE2 3.81Å; P600-Y602 HydrophobicContact CB-CG 4.35Å; P600-Y602 VanDerWaalsContact CB-CZ 3.4Å; P600-Y602 HydrophobicContact CG-CE2 4.45Å; P600-Y602 PolarHBondContact O-N 3.48Å; P600-F603 HydrophobicContact CB-CB 4.36Å; P600-F603 WeakPolarHBondContact O-CB 3.34Å; P600-F603 PolarHBondContact O-N 2.85Å; P600-V626 HydrophobicContact CG-CG1 4.27Å
601	S	83.3	Confident	80.8	Confident	66 Å²	66	55.4 Å²	55.4	46%	0.462	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.3	-173.6	57.2	0	0	0	0	115	L579 F603	L579-S601 WeakPolarHBondContact O-CB 3.43Å; S601-F603 VanDerWaalsContact C-N 3.31Å
602	Y	83.6	Confident	80.8	Confident	153 Å²	153	49.5 Å²	49.5	60%	0.6	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-15.1	171.2	54.4	-101.2	0	0	0	113.1	P600 I604 V626	P600-Y602 HydrophobicContact CB-CD1 3.99Å; P600-Y602 HydrophobicContact CB-CD2 4.27Å; P600-Y602 HydrophobicContact CB-CE1 3.51Å; P600-Y602 HydrophobicContact CB-CE2 3.81Å; P600-Y602 HydrophobicContact CB-CG 4.35Å; P600-Y602 VanDerWaalsContact CB-CZ 3.4Å; P600-Y602 HydrophobicContact CG-CE2 4.45Å; P600-Y602 PolarHBondContact O-N 3.48Å; Y602-I604 PolarHBondContact O-N 2.94Å; Y602-I604 VanDerWaalsContact O-N 3.12Å; Y602-V626 HydrophobicContact CE2-CG1 3.89Å; Y602-V626 HydrophobicContact CE2-CG2 3.82Å; Y602-V626 WeakPolarHBondContact OH-CG1 3.36Å
603	F	79.6	Confident	80.4	Confident	20 Å²	20	47.2 Å²	47.2	9%	0.088	26%	0.255	C	S	.	.			trans	-93.3	67.3	-170.1	-163.4	-145.1	0	0	0	112.2	I599 P600 S601 S605 G606 V607 C621 D623 V626	I599-F603 HydrophobicContact CG2-CB 4.16Å; I599-F603 HydrophobicContact CG2-CD1 3.96Å; P600-F603 HydrophobicContact CB-CB 4.36Å; P600-F603 WeakPolarHBondContact O-CB 3.34Å; P600-F603 PolarHBondContact O-N 2.85Å; S601-F603 VanDerWaalsContact C-N 3.31Å; F603-S605 WeakPolarHBondContact CE2-OG 3.37Å; F603-S605 PolarHBondContact O-N 2.87Å; F603-G606 PolarHBondContact O-N 2.76Å; F603-G606 VanDerWaalsContact O-N 3.12Å; F603-V607 PolarHBondContact O-N 2.84Å; F603-C621 VanDerWaalsContact CE1-SG 3.56Å; F603-D623 HydrophobicContact CE2-CB 3.97Å; F603-D623 WeakPolarHBondContact CE2-OD1 3.34Å; F603-D623 VanDerWaalsContact CE2-OD2 3.26Å; F603-D623 WeakPolarHBondContact CE2-OD2 3.44Å; F603-D623 HydrophobicContact CZ-CB 3.62Å; F603-D623 VanDerWaalsContact CZ-CG 3.41Å; F603-D623 WeakPolarHBondContact CZ-O 3.35Å; F603-D623 WeakPolarHBondContact CZ-OD1 3.4Å; F603-V626 HydrophobicContact CB-CG2 4.31Å; F603-V626 HydrophobicContact CD1-CG2 4.06Å; F603-V626 HydrophobicContact CD2-CG2 3.45Å; F603-V626 VanDerWaalsContact CD2-CG2 3.45Å; F603-V626 HydrophobicContact CE1-CB 4.46Å; F603-V626 HydrophobicContact CE1-CG2 4.16Å; F603-V626 HydrophobicContact CE2-CG2 3.58Å; F603-V626 HydrophobicContact CG-CG2 3.71Å; F603-V626 HydrophobicContact CZ-CB 4.44Å; F603-V626 HydrophobicContact CZ-CG2 3.93Å
604	I	80.6	Confident	79.5	Confident	114 Å²	114	43.3 Å²	43.3	59%	0.585	24%	0.236	S	C	*	.	H	α-helix	trans	-60.2	-42.7	-171.2	-61.7	166.8	0	0	0	112	Y602 G606 V607 L608	Y602-I604 PolarHBondContact O-N 2.94Å; Y602-I604 VanDerWaalsContact O-N 3.12Å; I604-G606 VanDerWaalsContact C-N 3.35Å; I604-G606 PolarHBondContact O-N 3.44Å; I604-V607 PolarHBondContact O-N 3.37Å; I604-L608 HydrophobicContact CG2-CD1 3.87Å; I604-L608 HydrophobicContact CG2-CG 4.35Å; I604-L608 WeakPolarHBondContact O-CB 3.35Å; I604-L608 VanDerWaalsContact O-CG 3.29Å; I604-L608 WeakPolarHBondContact O-CG 3.47Å; I604-L608 PolarHBondContact O-N 3.01Å
605	S	72.8	Confident	78.5	Confident	26 Å²	26	40 Å²	40	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-58.1	-43.2	174	42.9	0	0	0	0	112.2	F603 L608 S609 D623	F603-S605 WeakPolarHBondContact CE2-OG 3.37Å; F603-S605 PolarHBondContact O-N 2.87Å; S605-L608 PolarHBondContact O-N 3.02Å; S605-S609 WeakPolarHBondContact O-CB 3.4Å; S605-S609 PolarHBondContact O-N 3.16Å; S605-S609 PolarHBondContact O-OG 3.29Å; S605-D623 WeakPolarHBondContact CB-OD2 3.27Å; S605-D623 PolarHBondContact OG-OD2 3.33Å
606	G	75	Confident	76.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-47.2	174.3	0	0	0	0	0	113.1	F603 I604 L608 S609 A610 C621	F603-G606 PolarHBondContact O-N 2.76Å; F603-G606 VanDerWaalsContact O-N 3.12Å; I604-G606 VanDerWaalsContact C-N 3.35Å; I604-G606 PolarHBondContact O-N 3.44Å; G606-L608 VanDerWaalsContact C-N 3.31Å; G606-L608 PolarHBondContact O-N 2.79Å; G606-S609 WeakPolarHBondContact CA-OG 3.23Å; G606-S609 PolarHBondContact O-N 3.33Å; G606-S609 PolarHBondContact O-OG 2.79Å; G606-S609 VanDerWaalsContact O-OG 3.12Å; G606-A610 VanDerWaalsContact O-CB 3.3Å; G606-A610 WeakPolarHBondContact O-CB 3.25Å; G606-A610 PolarHBondContact O-N 2.84Å; G606-C621 WeakPolarHBondContact CA-SG 3.4Å
607	V	79.4	Confident	75	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-34.3	176.9	177.8	0	0	0	0	112.4	I552 L576 T577 I599 F603 I604	I552-V607 HydrophobicContact CB-CG1 4.37Å; I552-V607 HydrophobicContact CG1-CG1 4.14Å; I552-V607 HydrophobicContact CG2-CG1 4.29Å; L576-V607 HydrophobicContact CD2-CG1 4.36Å; L576-V607 HydrophobicContact CG-CG1 4.4Å; T577-V607 WeakPolarHBondContact O-CG1 3.34Å; I599-V607 HydrophobicContact CB-CG2 3.98Å; I599-V607 HydrophobicContact CD1-CG2 4.17Å; I599-V607 HydrophobicContact CG2-CG2 3.63Å; F603-V607 PolarHBondContact O-N 2.84Å; I604-V607 PolarHBondContact O-N 3.37Å
608	L	74.9	Confident	73.4	Confident	35 Å²	35	34.4 Å²	34.4	18%	0.183	18%	0.179	C	C	.	.	H	α-helix	trans	-76.4	-37.9	177.2	-72.1	174.9	0	0	0	112.7	F481 I552 K553 I604 S605 G606	F481-L608 WeakPolarHBondContact CE2-O 3.31Å; F481-L608 WeakPolarHBondContact CZ-O 3.47Å; I552-L608 HydrophobicContact CG2-CD2 4.1Å; K553-L608 WeakPolarHBondContact CE-O 3.46Å; K553-L608 PolarHBondContact NZ-O 3.39Å; I604-L608 HydrophobicContact CG2-CD1 3.87Å; I604-L608 HydrophobicContact CG2-CG 4.35Å; I604-L608 WeakPolarHBondContact O-CB 3.35Å; I604-L608 VanDerWaalsContact O-CG 3.29Å; I604-L608 WeakPolarHBondContact O-CG 3.47Å; I604-L608 PolarHBondContact O-N 3.01Å; S605-L608 PolarHBondContact O-N 3.02Å; G606-L608 VanDerWaalsContact C-N 3.31Å; G606-L608 PolarHBondContact O-N 2.79Å
609	S	74.4	Confident	71.6	Confident	1 Å²	1	33 Å²	33	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-71.5	-44.6	176.7	51.4	0	0	0	0	112.3	K553 S605 G606 V611 F622	K553-S609 PolarHBondContact NZ-O 3.05Å; S605-S609 WeakPolarHBondContact O-CB 3.4Å; S605-S609 PolarHBondContact O-N 3.16Å; S605-S609 PolarHBondContact O-OG 3.29Å; G606-S609 WeakPolarHBondContact CA-OG 3.23Å; G606-S609 PolarHBondContact O-N 3.33Å; G606-S609 PolarHBondContact O-OG 2.79Å; G606-S609 VanDerWaalsContact O-OG 3.12Å; S609-V611 PolarHBondContact O-N 2.8Å; S609-V611 VanDerWaalsContact O-N 3.15Å; S609-F622 PolarHBondContact OG-N 2.73Å
610	A	79.1	Confident	70.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.			trans	-25.6	105.9	179.4	0	0	0	0	0	115.5	K553 L576 I599 G606 S619 V620	K553-A610 WeakPolarHBondContact CD-O 3.4Å; K553-A610 WeakPolarHBondContact CE-O 3.5Å; K553-A610 PolarHBondContact NZ-O 2.99Å; L576-A610 HydrophobicContact CD2-CB 3.43Å; L576-A610 VanDerWaalsContact CD2-CB 3.43Å; I599-A610 HydrophobicContact CD1-CB 3.71Å; G606-A610 VanDerWaalsContact O-CB 3.3Å; G606-A610 WeakPolarHBondContact O-CB 3.25Å; G606-A610 PolarHBondContact O-N 2.84Å; A610-S619 VanDerWaalsContact CB-OG 3.27Å; A610-S619 WeakPolarHBondContact CB-OG 3.43Å; A610-V620 VanDerWaalsContact CA-O 3.23Å; A610-V620 WeakPolarHBondContact CA-O 3.41Å; A610-V620 PolarHBondContact N-O 3.32Å
611	V	76.7	Confident	68.7	Low	2 Å²	2	31.9 Å²	31.9	1%	0.012	16%	0.164	C	C	.	.			trans	-82.9	142.2	174.4	-168.4	0	0	0	0	110	C92 L144 S609 T613 S619 V620	C92-V611 HydrophobicContact CB-CG2 4.11Å; L144-V611 HydrophobicContact CD1-CG2 4.46Å; S609-V611 PolarHBondContact O-N 2.8Å; S609-V611 VanDerWaalsContact O-N 3.15Å; V611-T613 HydrophobicContact CG1-CG2 4.06Å; V611-S619 WeakPolarHBondContact O-CA 3.4Å; V611-V620 HydrophobicContact CB-CB 4.31Å; V611-V620 HydrophobicContact CG2-CB 4.04Å; V611-V620 PolarHBondContact N-O 3.16Å
612	L	77.9	Confident	67.2	Low	22 Å²	22	29.4 Å²	29.4	12%	0.115	14%	0.144	C	C	.	.			trans	-119.8	140.1	170.8	-61.4	178.8	0	0	0	108.3	K553 Q555 L574 L576 L582	K553-L612 HydrophobicContact CB-CD1 4.11Å; Q555-L612 HydrophobicContact CB-CB 3.59Å; Q555-L612 HydrophobicContact CB-CD1 4.3Å; Q555-L612 HydrophobicContact CG-CB 4.37Å; L574-L612 HydrophobicContact CB-CD1 4.43Å; L576-L612 HydrophobicContact CB-CD1 4.09Å; L582-L612 HydrophobicContact CD1-CD1 4.25Å; L582-L612 HydrophobicContact CD1-CD2 3.88Å; L582-L612 HydrophobicContact CD2-CD2 4.16Å
613	T	74.5	Confident	65.6	Low	2 Å²	2	22.4 Å²	22.4	1%	0.012	12%	0.118	C	C	.	.			trans	-131.1	165.1	-168.5	70.3	0	0	0	0	114	Y94 V557 V611 H615 A616 Y618	Y94-T613 HydrophobicContact CD1-CG2 3.74Å; Y94-T613 HydrophobicContact CD2-CG2 4.01Å; Y94-T613 HydrophobicContact CE1-CG2 4.33Å; Y94-T613 HydrophobicContact CG-CG2 3.56Å; V557-T613 VanDerWaalsContact CG2-O 3.23Å; V557-T613 WeakPolarHBondContact CG2-O 3.44Å; V611-T613 HydrophobicContact CG1-CG2 4.06Å; T613-H615 VanDerWaalsContact C-N 3.34Å; T613-H615 PolarHBondContact O-N 2.84Å; T613-A616 PolarHBondContact OG1-O 3.01Å; T613-Y618 WeakPolarHBondContact CB-OH 3.31Å; T613-Y618 HydrophobicContact CG2-CD2 4.23Å; T613-Y618 HydrophobicContact CG2-CE2 3.31Å; T613-Y618 WeakPolarHBondContact CG2-OH 3.3Å; T613-Y618 PolarHBondContact OG1-OH 3.2Å
614	P	65.2	Low	63.7	Low	20 Å²	20	22.9 Å²	22.9	13%	0.13	12%	0.123	C	C	.	.	S	Bend	trans	-73.2	-16.9	-167.2	-20.8	34.9	0	0	0	115.9
615	H	62.2	Low	61.8	Low	33 Å²	33	21.5 Å²	21.5	15%	0.153	12%	0.123	C	C	.	.	S	Bend	trans	-128.8	-16.1	-164.8	-63.3	-18	0	0	0	115.4	M503 T613	M503-H615 WeakPolarHBondContact CE-O 3.44Å; M503-H615 PolarHBondContact O-CD2 3.42Å; T613-H615 VanDerWaalsContact C-N 3.34Å; T613-H615 PolarHBondContact O-N 2.84Å
616	A	50.4	Low	60.2	Low	14 Å²	14	21.6 Å²	21.6	12%	0.116	12%	0.123	C	C	.	.	S	Bend	trans	-153.2	168.5	176.3	0	0	0	0	0	113	T613 Y618	T613-A616 PolarHBondContact OG1-O 3.01Å; A616-Y618 HydrophobicContact CB-CD1 3.99Å; A616-Y618 HydrophobicContact CB-CE1 3.87Å; A616-Y618 PolarHBondContact O-N 3.49Å
617	F	49.5	Very low	58.3	Low	92 Å²	92	29.2 Å²	29.2	40%	0.404	16%	0.163	S	C	.	.			trans	-94.9	87.7	176.8	-68	-98	0	0	0	110.7	L559 L574 L582	L559-F617 HydrophobicContact CD1-CE2 4.33Å; L559-F617 HydrophobicContact CD2-CE2 4.32Å; L574-F617 HydrophobicContact CD1-CD1 3.89Å; L574-F617 HydrophobicContact CD1-CE1 3.55Å; L574-F617 HydrophobicContact CD1-CZ 4.07Å; L574-F617 HydrophobicContact CD2-CE1 3.51Å; L574-F617 HydrophobicContact CD2-CZ 3.67Å; L574-F617 HydrophobicContact CG-CE1 4.2Å; L582-F617 HydrophobicContact CD2-CD1 3.9Å; L582-F617 HydrophobicContact CD2-CE1 4.41Å
618	Y	52	Low	56.2	Low	31 Å²	31	33.1 Å²	33.1	12%	0.122	18%	0.184	C	C	.	.			trans	-129.6	139.3	162.1	48.1	-97.2	0	0	0	109.5	Y94 T613 A616 V620	Y94-Y618 HydrophobicContact CD2-CE2 4.04Å; Y94-Y618 HydrophobicContact CE1-CE2 4.23Å; Y94-Y618 AromaticContact CE1-CZ 3.91Å; Y94-Y618 WeakPolarHBondContact CE1-OH 3.19Å; Y94-Y618 AromaticContact CE2-CE2 3.53Å; Y94-Y618 HydrophobicContact CE2-CE2 3.53Å; Y94-Y618 AromaticContact CE2-CZ 3.98Å; Y94-Y618 AromaticContact CZ-CE2 3.63Å; Y94-Y618 AromaticContact CZ-CZ 3.55Å; Y94-Y618 PolarHBondContact OH-OH 2.71Å; T613-Y618 WeakPolarHBondContact CB-OH 3.31Å; T613-Y618 HydrophobicContact CG2-CD2 4.23Å; T613-Y618 HydrophobicContact CG2-CE2 3.31Å; T613-Y618 WeakPolarHBondContact CG2-OH 3.3Å; T613-Y618 PolarHBondContact OG1-OH 3.2Å; A616-Y618 HydrophobicContact CB-CD1 3.99Å; A616-Y618 HydrophobicContact CB-CE1 3.87Å; A616-Y618 PolarHBondContact O-N 3.49Å; Y618-V620 HydrophobicContact CD2-CG2 4.29Å
619	S	45.9	Very low	54.1	Low	25 Å²	25	36.5 Å²	36.5	18%	0.175	21%	0.208	C	C	.	.			trans	-113.9	96.4	177.8	172.2	0	0	0	0	108.4	A610 V611 C621	A610-S619 VanDerWaalsContact CB-OG 3.27Å; A610-S619 WeakPolarHBondContact CB-OG 3.43Å; V611-S619 WeakPolarHBondContact O-CA 3.4Å; S619-C621 PolarHBondContact O-N 3.28Å; S619-C621 VanDerWaalsContact O-N 3.13Å
620	V	52.9	Low	52.1	Low	1 Å²	1	40.9 Å²	40.9	1%	0.006	24%	0.239	C	C	.	.			trans	-69	111	173.9	-177.8	0	0	0	0	108.4	L144 F163 V495 A610 V611 Y618 F622	L144-V620 HydrophobicContact CD2-CG1 4.01Å; L144-V620 HydrophobicContact CD2-CG2 4.46Å; F163-V620 HydrophobicContact CZ-CG2 4.41Å; V495-V620 HydrophobicContact CG1-CB 4.45Å; V495-V620 HydrophobicContact CG1-CG1 4.15Å; V495-V620 HydrophobicContact CG1-CG2 4.03Å; V495-V620 HydrophobicContact CG2-CG1 4.27Å; A610-V620 VanDerWaalsContact CA-O 3.23Å; A610-V620 WeakPolarHBondContact CA-O 3.41Å; A610-V620 PolarHBondContact N-O 3.32Å; V611-V620 HydrophobicContact CB-CB 4.31Å; V611-V620 HydrophobicContact CG2-CB 4.04Å; V611-V620 PolarHBondContact N-O 3.16Å; Y618-V620 HydrophobicContact CD2-CG2 4.29Å; V620-F622 HydrophobicContact CB-CZ 4.5Å; V620-F622 HydrophobicContact CG1-CD1 4.12Å; V620-F622 HydrophobicContact CG1-CE1 3.47Å; V620-F622 VanDerWaalsContact CG1-CE1 3.47Å; V620-F622 HydrophobicContact CG1-CE2 4.07Å; V620-F622 HydrophobicContact CG1-CZ 3.44Å; V620-F622 VanDerWaalsContact CG1-CZ 3.44Å
621	C	53.4	Low	50	Low	10 Å²	10	48.4 Å²	48.4	7%	0.068	28%	0.279	C	S	.	.			trans	-102	132.6	174.2	-176.9	0	0	0	0	108.2	K494 F603 G606 S619 D623	K494-C621 VanDerWaalsContact O-O 3.11Å; F603-C621 VanDerWaalsContact CE1-SG 3.56Å; G606-C621 WeakPolarHBondContact CA-SG 3.4Å; S619-C621 PolarHBondContact O-N 3.28Å; S619-C621 VanDerWaalsContact O-N 3.13Å; C621-D623 PolarHBondContact SG-O 3.33Å
622	F	52.4	Low	47.6	Very low	13 Å²	13	55 Å²	55	6%	0.057	31%	0.314	C	S	.	.	S	Bend	trans	-102.3	4.9	-177.4	-66.2	-61.2	0	0	0	114.4	F84 V89 C92 L144 T146 A493 S609 V620	F84-F622 HydrophobicContact CB-CD1 4.34Å; F84-F622 HydrophobicContact CD1-CD1 4.18Å; F84-F622 AromaticContact CD1-CE1 3.65Å; F84-F622 HydrophobicContact CD1-CE1 3.65Å; F84-F622 HydrophobicContact CE1-CE1 4.11Å; F84-F622 HydrophobicContact CG-CD1 4.4Å; F84-F622 HydrophobicContact CG-CE1 4.3Å; V89-F622 HydrophobicContact CB-CD2 4.39Å; V89-F622 HydrophobicContact CB-CG 4.39Å; V89-F622 HydrophobicContact CG1-CD2 3.81Å; V89-F622 HydrophobicContact CG1-CE2 3.99Å; V89-F622 HydrophobicContact CG1-CG 4.24Å; V89-F622 HydrophobicContact CG2-CD1 4.49Å; V89-F622 HydrophobicContact CG2-CG 4.38Å; C92-F622 HydrophobicContact CB-CE2 3.95Å; L144-F622 HydrophobicContact CD1-CZ 4.17Å; L144-F622 HydrophobicContact CD2-CE1 4.19Å; L144-F622 HydrophobicContact CD2-CZ 4Å; T146-F622 HydrophobicContact CG2-CE1 4.05Å; T146-F622 HydrophobicContact CG2-CE2 4.26Å; T146-F622 HydrophobicContact CG2-CZ 3.6Å; A493-F622 VanDerWaalsContact CB-O 3.25Å; A493-F622 WeakPolarHBondContact CB-O 3.47Å; S609-F622 PolarHBondContact OG-N 2.73Å; V620-F622 HydrophobicContact CB-CZ 4.5Å; V620-F622 HydrophobicContact CG1-CD1 4.12Å; V620-F622 HydrophobicContact CG1-CE1 3.47Å; V620-F622 VanDerWaalsContact CG1-CE1 3.47Å; V620-F622 HydrophobicContact CG1-CE2 4.07Å; V620-F622 HydrophobicContact CG1-CZ 3.44Å; V620-F622 VanDerWaalsContact CG1-CZ 3.44Å
623	D	49	Very low	45.1	Very low	7 Å²	7	64.1 Å²	64.1	4%	0.037	35%	0.347	C	S	.	.			trans	-119.8	143.1	174.8	-179.6	-17.1	0	0	0	107.3	K492 F603 S605 C621 S625	K492-D623 CarbonylContact O-C 3.58Å; F603-D623 HydrophobicContact CE2-CB 3.97Å; F603-D623 WeakPolarHBondContact CE2-OD1 3.34Å; F603-D623 VanDerWaalsContact CE2-OD2 3.26Å; F603-D623 WeakPolarHBondContact CE2-OD2 3.44Å; F603-D623 HydrophobicContact CZ-CB 3.62Å; F603-D623 VanDerWaalsContact CZ-CG 3.41Å; F603-D623 WeakPolarHBondContact CZ-O 3.35Å; F603-D623 WeakPolarHBondContact CZ-OD1 3.4Å; S605-D623 WeakPolarHBondContact CB-OD2 3.27Å; S605-D623 PolarHBondContact OG-OD2 3.33Å; C621-D623 PolarHBondContact SG-O 3.33Å; D623-S625 VanDerWaalsContact OD1-CB 3.26Å; D623-S625 WeakPolarHBondContact OD1-CB 3.41Å; D623-S625 PolarHBondContact OD1-N 3.48Å; D623-S625 PolarHBondContact OD1-OG 3.35Å
624	C	40.5	Very low	42.8	Very low	30 Å²	30	69.5 Å²	69.5	20%	0.203	38%	0.382	C	S	.	.			trans	-133.7	33.9	171.1	70.4	0	0	0	0	114.9	K492 K494 V626	K492-C624 VanDerWaalsContact C-SG 3.56Å; K492-C624 VanDerWaalsContact CB-SG 3.6Å; K492-C624 PolarHBondContact O-N 3.49Å; K492-C624 PolarHBondContact O-SG 2.88Å; K494-C624 HydrophobicContact CB-CB 3.83Å; K494-C624 HydrophobicContact CD-CB 4.09Å; K494-C624 HydrophobicContact CG-CB 4.12Å; C624-V626 PolarHBondContact O-N 2.88Å
625	S	41	Very low	40.9	Very low	85 Å²	85	75.9 Å²	75.9	59%	0.594	42%	0.415	S	S	*	.			trans	-64.7	18.8	170.4	-51.2	0	0	0	0	114.8	D623	D623-S625 VanDerWaalsContact OD1-CB 3.26Å; D623-S625 WeakPolarHBondContact OD1-CB 3.41Å; D623-S625 PolarHBondContact OD1-N 3.48Å; D623-S625 PolarHBondContact OD1-OG 3.35Å
626	V	37.3	Very low	39.2	Very low	27 Å²	27	81.6 Å²	81.6	16%	0.164	45%	0.446	C	S	.	.	S	Bend	trans	-142.2	112.6	-173.1	-177.5	0	0	0	0	110.2	P600 Y602 F603 C624 L628	P600-V626 HydrophobicContact CG-CG1 4.27Å; Y602-V626 HydrophobicContact CE2-CG1 3.89Å; Y602-V626 HydrophobicContact CE2-CG2 3.82Å; Y602-V626 WeakPolarHBondContact OH-CG1 3.36Å; F603-V626 HydrophobicContact CB-CG2 4.31Å; F603-V626 HydrophobicContact CD1-CG2 4.06Å; F603-V626 HydrophobicContact CD2-CG2 3.45Å; F603-V626 VanDerWaalsContact CD2-CG2 3.45Å; F603-V626 HydrophobicContact CE1-CB 4.46Å; F603-V626 HydrophobicContact CE1-CG2 4.16Å; F603-V626 HydrophobicContact CE2-CG2 3.58Å; F603-V626 HydrophobicContact CG-CG2 3.71Å; F603-V626 HydrophobicContact CZ-CB 4.44Å; F603-V626 HydrophobicContact CZ-CG2 3.93Å; C624-V626 PolarHBondContact O-N 2.88Å; V626-L628 PolarHBondContact O-N 2.8Å; V626-L628 VanDerWaalsContact O-N 3.12Å
627	D	35.3	Very low	37.9	Very low	160 Å²	160	88.4 Å²	88.4	86%	0.856	48%	0.476	S	S	*	.			trans	-60.8	110.7	156.3	-75.8	-49.3	0	0	0	108.2
628	L	35.3	Very low	36.8	Very low	86 Å²	86	89 Å²	89	45%	0.45	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-56.3	138	166.5	-73.6	174.3	0	0	0	108	F496 V626 S630	F496-L628 HydrophobicContact CD1-CD1 4.05Å; F496-L628 HydrophobicContact CE1-CD1 3.51Å; F496-L628 HydrophobicContact CE2-CD1 4.4Å; F496-L628 HydrophobicContact CZ-CD1 3.71Å; F496-L628 HydrophobicContact CZ-CG 4.42Å; V626-L628 PolarHBondContact O-N 2.8Å; V626-L628 VanDerWaalsContact O-N 3.12Å; L628-S630 PolarHBondContact O-N 3.38Å; L628-S630 VanDerWaalsContact O-N 3.1Å
629	P	32.1	Very low	35.5	Very low	106 Å²	106	93 Å²	93	69%	0.688	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-54	126.3	172.5	24.5	-33.3	0	0	0	107.8	N631	P629-N631 PolarHBondContact O-N 2.95Å
630	S	32.3	Very low	34.4	Very low	93 Å²	93	97 Å²	97	65%	0.65	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-51.4	130.8	176.2	45.4	0	0	0	0	108.2	L628 D632	L628-S630 PolarHBondContact O-N 3.38Å; L628-S630 VanDerWaalsContact O-N 3.1Å; S630-D632 PolarHBondContact O-N 2.78Å
631	N	33.7	Very low	33	Very low	158 Å²	158	107.1 Å²	107.1	85%	0.845	59%	0.594	S	S	*	*			trans	-64.9	90.5	168.5	-103	-39	0	0	0	107.1	P629 R633	P629-N631 PolarHBondContact O-N 2.95Å; N631-R633 PolarHBondContact O-N 2.9Å
632	D	27.9	Very low	31.7	Very low	140 Å²	140	110 Å²	110	75%	0.749	62%	0.619	S	S	*	*			trans	-60.2	81	159.8	-80.8	-15.3	0	0	0	106.7	S630 P634	S630-D632 PolarHBondContact O-N 2.78Å; D632-P634 VanDerWaalsContact O-CD 3.28Å; D632-P634 WeakPolarHBondContact O-CD 3.39Å; D632-P634 VanDerWaalsContact O-N 3.09Å
633	R	24.7	Very low	30.3	Very low	213 Å²	213	118 Å²	118	80%	0.804	66%	0.66	S	S	*	*			trans	-52.5	117.1	163.5	-73.5	-178.8	171.4	-176.4	-2	105.2	N631 N635	N631-R633 PolarHBondContact O-N 2.9Å; R633-N635 PolarHBondContact O-N 3.23Å
634	P	27	Very low	29.1	Very low	115 Å²	115	126.4 Å²	126.4	75%	0.747	70%	0.7	S	S	*	*			trans	-61.3	109.5	177.5	23.9	-31.9	0	0	0	107.6	D632 N636	D632-P634 VanDerWaalsContact O-CD 3.28Å; D632-P634 WeakPolarHBondContact O-CD 3.39Å; D632-P634 VanDerWaalsContact O-N 3.09Å; P634-N636 PolarHBondContact O-N 3.07Å
635	N	24.6	Very low	28.3	Very low	155 Å²	155	130.1 Å²	130.1	83%	0.829	73%	0.726	S	S	*	*	S	Bend	trans	-63	113.4	176.1	-85.5	-38.4	0	0	0	107.5	R633	R633-N635 PolarHBondContact O-N 3.23Å
636	N	26	Very low	27.6	Very low	152 Å²	152	131.3 Å²	131.3	81%	0.813	74%	0.735	S	S	*	*			trans	68.8	96.5	-171	-45.1	-50.4	0	0	0	114.5	P634	P634-N636 PolarHBondContact O-N 3.07Å
637	E	24.3	Very low	27.1	Very low	158 Å²	158	135.3 Å²	135.3	74%	0.738	76%	0.761	S	S	*	*				-146.7	122	99.5	-117.8	-176.6	-143.5	0	0	111.1	N639	E637-N639 PolarHBondContact O-N 2.97Å; E637-N639 PolarHBondContact OE2-ND2 3.37Å
638	A	24.8	Very low	26.8	Very low	105 Å²	105	136.4 Å²	136.4	87%	0.868	77%	0.766	S	S	*	*			trans	-85.2	54.1	-179.3	0	0	0	0	0	111.5	S640	A638-S640 PolarHBondContact O-N 3.26Å
639	N	24.9	Very low	26.4	Very low	115 Å²	115	138 Å²	138	62%	0.615	78%	0.779	S	S	*	*			trans	-84.1	93.5	175.6	-94.8	-48.3	0	0	0	110.2	E637 F641	E637-N639 PolarHBondContact O-N 2.97Å; E637-N639 PolarHBondContact OE2-ND2 3.37Å; N639-F641 PolarHBondContact O-N 3.11Å; N639-F641 VanDerWaalsContact O-N 3.13Å
640	S	23.9	Very low	26.2	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	79%	0.786	S	S	*	*			trans	-66.5	105.2	174.1	54	0	0	0	0	110.7	A638 A642	A638-S640 PolarHBondContact O-N 3.26Å; S640-A642 PolarHBondContact O-N 3.14Å
641	F	23	Very low	26.1	Very low	213 Å²	213	140.3 Å²	140.3	93%	0.934	79%	0.785	S	S	*	*			trans	-69.2	80.4	161.1	-89.1	-84	0	0	0	109.6	N639	N639-F641 PolarHBondContact O-N 3.11Å; N639-F641 VanDerWaalsContact O-N 3.13Å
642	A	25.2	Very low	26	Very low	71 Å²	71	140 Å²	140	59%	0.587	78%	0.783	S	S	*	*			trans	-61.5	144.1	160.6	0	0	0	0	0	109	S640 E644	S640-A642 PolarHBondContact O-N 3.14Å; A642-E644 VanDerWaalsContact C-N 3.27Å; A642-E644 PolarHBondContact O-N 2.98Å
643	L	23.6	Very low	26	Very low	179 Å²	179	138.3 Å²	138.3	94%	0.937	78%	0.782	S	S	*	*			trans	-71.6	88.2	165.1	-83.8	154.2	0	0	0	108.1	S645	L643-S645 VanDerWaalsContact C-N 3.34Å; L643-S645 PolarHBondContact O-N 3.08Å
644	E	23.8	Very low	26.3	Very low	184 Å²	184	137.4 Å²	137.4	86%	0.86	79%	0.787	S	S	*	*			trans	-66	93.6	172.2	-73.2	-162	134.8	0	0	110.2	A642 S646	A642-E644 VanDerWaalsContact C-N 3.27Å; A642-E644 PolarHBondContact O-N 2.98Å; E644-S646 PolarHBondContact O-N 3.1Å; E644-S646 VanDerWaalsContact O-N 3.1Å
645	S	24.3	Very low	26.4	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	79%	0.789	S	S	*	*			trans	-62.5	106.3	160.7	54.8	0	0	0	0	108.5	L643 P647	L643-S645 VanDerWaalsContact C-N 3.34Å; L643-S645 PolarHBondContact O-N 3.08Å; S645-P647 WeakPolarHBondContact O-CD 3.36Å
646	S	25.2	Very low	27.3	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-54.4	117.7	-178.1	54.6	0	0	0	0	112.2	E644	E644-S646 PolarHBondContact O-N 3.1Å; E644-S646 VanDerWaalsContact O-N 3.1Å
647	P	27.1	Very low	28	Very low	111 Å²	111	133.5 Å²	133.5	72%	0.721	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-80.8	126.4	178.1	31.1	-32.4	0	0	0	111.1	S645 V649	S645-P647 WeakPolarHBondContact O-CD 3.36Å; P647-V649 HydrophobicContact CB-CG2 4.49Å
648	L	28.3	Very low	28.1	Very low	182 Å²	182	130.4 Å²	130.4	95%	0.953	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.9	127.5	158.2	-84.6	160.8	0	0	0	108.3
649	V	28.4	Very low	28.4	Very low	120 Å²	120	136.3 Å²	136.3	73%	0.727	78%	0.778	S	S	*	*			trans	-115	111.2	-178.6	-179.6	0	0	0	0	109.8	P647	P647-V649 HydrophobicContact CB-CG2 4.49Å
650	D	28.3	Very low	28.8	Very low	157 Å²	157	134 Å²	134	84%	0.84	78%	0.782	S	S	*	*			trans	-178.3	135.9	151	-95.2	-27.7	0	0	0	107.4
651	S	30.1	Very low	29.1	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	78%	0.784	S	S	*	*			cis	-164.4	168.5	-10.2	56.8	0	0	0	0	109.4
652	L	30.6	Very low	29.3	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	77%	0.773	S	S	*	*			trans	68.1	108.7	164.8	-59.4	170.4	0	0	0	117
653	S	28.3	Very low	29.5	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	79%	0.788	S	S	*	*				69.6	134.4	89.5	75.8	0	0	0	0	114.9
654	E	29.7	Very low	29.8	Very low	194 Å²	194	137.1 Å²	137.1	91%	0.907	78%	0.781	S	S	*	*			cis	-139.9	-166.2	20.5	-63	-179	116.5	0	0	113.3
655	S	30	Very low	30	Very low	114 Å²	114	133.5 Å²	133.5	80%	0.797	78%	0.776	S	S	*	*			trans	-109.7	161.8	-172.8	52.8	0	0	0	0	115.5
656	P	44.3	Very low	30.7	Very low	116 Å²	116	133.8 Å²	133.8	75%	0.753	78%	0.776	S	S	*	*			trans	-96.9	-173.9	-171	42.3	-39.1	0	0	0	113.5
657	P	39.3	Very low	30.9	Very low	110 Å²	110	136 Å²	136	71%	0.714	78%	0.778	S	S	*	*				-160.8	164.6	90.3	42.3	-22	0	0	0	120
658	S	26.9	Very low	30.9	Very low	94 Å²	94	135.3 Å²	135.3	66%	0.657	78%	0.776	S	S	*	*			trans	53.7	129.8	140.2	67.6	0	0	0	0	124.5
659	Y	31.5	Very low	31	Very low	228 Å²	228	135.6 Å²	135.6	89%	0.894	77%	0.772	S	S	*	*				166.9	138.1	129.9	-96.6	-70.1	0	0	0	108.6
660	G	32.2	Very low	31.1	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	77%	0.774	S	S	*	*			cis	-179	-179.7	-7.5	0	0	0	0	0	112.2
661	K	30.3	Very low	31.1	Very low	186 Å²	186	134.2 Å²	134.2	81%	0.809	77%	0.772	S	S	*	*			trans	18.1	150.7	154.9	-60.9	178.9	173.4	-174.4	0	121.6
662	Q	27.7	Very low	30.9	Very low	152 Å²	152	136.7 Å²	136.7	71%	0.71	78%	0.778	S	S	*	*			cis	-177.5	153.6	-9.7	-105.8	173	-61.1	0	0	107
663	N	29.1	Very low	30.8	Very low	166 Å²	166	137.9 Å²	137.9	89%	0.888	79%	0.785	S	S	*	*			trans	-175.5	167.3	137.2	-102.4	-10.9	0	0	0	116.5
664	V	31.3	Very low	30.5	Very low	133 Å²	133	139.4 Å²	139.4	81%	0.806	79%	0.79	S	S	*	*			trans	-149.3	143.9	-153.7	147.3	0	0	0	0	109.3
665	S	27.5	Very low	30.4	Very low	108 Å²	108	133.6 Å²	133.6	76%	0.755	78%	0.782	S	S	*	*			cis	-159	-146.8	-10.5	66.8	0	0	0	0	110.3
666	P	39.4	Very low	30.1	Very low	114 Å²	114	135.7 Å²	135.7	74%	0.74	79%	0.785	S	S	*	*			trans	-106.2	170.2	-157.6	45.1	-38.7	0	0	0	117.2
667	L	29.6	Very low	29.2	Very low	158 Å²	158	137.4 Å²	137.4	83%	0.827	79%	0.787	S	S	*	*			trans	-159.1	125.5	154.3	-95.9	159.1	0	0	0	107
668	S	26.2	Very low	28.6	Very low	96 Å²	96	136.3 Å²	136.3	67%	0.671	78%	0.782	S	S	*	*				62.5	143	100.7	82.6	0	0	0	0	115.4
669	E	30.4	Very low	28.5	Very low	189 Å²	189	138.4 Å²	138.4	88%	0.883	79%	0.791	S	S	*	*			cis	-136.8	-177.2	15.3	-66.4	177.9	124.9	0	0	112.5
670	T	29.8	Very low	28.2	Very low	125 Å²	125	131.8 Å²	131.8	77%	0.767	78%	0.778	S	S	*	*			trans	-93.6	176.6	177.3	58.9	0	0	0	0	112.4
671	P	29.6	Very low	27.8	Very low	123 Å²	123	133 Å²	133	80%	0.799	77%	0.768	S	S	*	*				-142.6	172.6	94.1	39.7	-25.8	0	0	0	115.4
672	N	24.7	Very low	27.7	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	77%	0.771	S	S	*	*			trans	-62	148.1	179.9	-52	-37.8	0	0	0	113.4
673	L	28.4	Very low	27.6	Very low	179 Å²	179	134 Å²	134	94%	0.937	77%	0.772	S	S	*	*			trans	-113.6	98.8	149.6	-79.9	172	0	0	0	108.8
674	T	23.7	Very low	27.4	Very low	134 Å²	134	129.7 Å²	129.7	82%	0.822	76%	0.755	S	S	*	*			trans	-75.3	127.9	154	44.6	0	0	0	0	107.9
675	G	26.5	Very low	27	Very low	73 Å²	73	130.8 Å²	130.8	75%	0.753	75%	0.751	S	S	*	*			trans	-161.8	109.3	176.6	0	0	0	0	0	109.5
676	D	23.3	Very low	26.9	Very low	158 Å²	158	132.6 Å²	132.6	85%	0.845	76%	0.757	S	S	*	*			trans	-71.5	137	168.1	-58.3	-77.1	0	0	0	109.7
677	D	26.6	Very low	26.3	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	78%	0.783	S	S	*	*			trans	179.2	104.7	140.8	-98.1	-38.4	0	0	0	107.6
678	S	25.8	Very low	26.2	Very low	86 Å²	86	139.3 Å²	139.3	60%	0.601	78%	0.781	S	S	*	*				97.9	112.9	62.4	70.5	0	0	0	0	110.9	S680	S678-S680 PolarHBondContact O-N 3.13Å
679	V	24.7	Very low	26.2	Very low	138 Å²	138	141.5 Å²	141.5	84%	0.836	79%	0.786	S	S	*	*	S	Bend	trans	-99.2	66.9	-167.4	-174	0	0	0	0	110.4
680	S	24.6	Very low	25.9	Very low	89 Å²	89	138.9 Å²	138.9	62%	0.622	78%	0.781	S	S	*	*			trans	-160.8	56.1	-174.1	57.8	0	0	0	0	115.9	S678	S678-S680 PolarHBondContact O-N 3.13Å
681	D	25.1	Very low	25.7	Very low	92 Å²	92	139.7 Å²	139.7	49%	0.492	78%	0.782	S	S	.	*			trans	-151.6	95	162.3	-125.3	-23.8	0	0	0	114	S684 Q685	D681-S684 PolarHBondContact OD1-OG 2.93Å; D681-Q685 PolarHBondContact OD2-NE2 3.24Å
682	Y	28.2	Very low	25.4	Very low	222 Å²	222	140.8 Å²	140.8	87%	0.871	78%	0.781	S	S	*	*	S	Bend	trans	-152.5	13.1	165	-99.5	-68.8	0	0	0	112.9
683	L	25.7	Very low	25.5	Very low	139 Å²	139	140.7 Å²	140.7	73%	0.728	78%	0.783	S	S	*	*	S	Bend	trans	-123.6	1.8	179	-81.2	167.3	0	0	0	112.9
684	S	24.5	Very low	25.3	Very low	75 Å²	75	138 Å²	138	52%	0.524	77%	0.772	S	S	.	*	S	Bend	trans	-145.3	37.9	-160.4	29.9	0	0	0	0	113.9	D681	D681-S684 PolarHBondContact OD1-OG 2.93Å
685	Q	22.8	Very low	25.4	Very low	156 Å²	156	138.3 Å²	138.3	73%	0.729	77%	0.768	S	S	*	*			trans	-159.7	91.5	167.5	-113.9	156.1	97.2	0	0	113.9	D681	D681-Q685 PolarHBondContact OD2-NE2 3.24Å
686	T	26.4	Very low	25.3	Very low	145 Å²	145	143.8 Å²	143.8	89%	0.89	77%	0.769	S	S	*	*			trans	-167.7	110.6	139.4	6.1	0	0	0	0	107.6
687	E	26.2	Very low	25.5	Very low	273 Å²	273	142.5 Å²	142.5	100%	1.276	76%	0.762	S	S	*	*			trans	-72.4	0	163.6	-62.4	-177.6	123.8	0	0	110.6

Retrieved 687 of 687 residues in 1151.3 ms (Link to these results)

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