A0A3Q0KNF8_SCHMA Loading...

Fe_hyd_lg_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 384 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	29.9	Very low	45.4	Very low	138 Å²	138	71.8 Å²	71.8	68%	0.68	38%	0.375	S	S	*	.				0	120.6	0	-154.6	165.5	-173.8	0	0	107.3	F3	M1-F3 HydrophobicContact CB-CE2 4.49Å; M1-F3 HydrophobicContact CE-CE1 3.74Å; M1-F3 HydrophobicContact CE-CE2 4.39Å; M1-F3 HydrophobicContact CE-CZ 3.51Å; M1-F3 HydrophobicContact CG-CE2 3.95Å; M1-F3 HydrophobicContact CG-CZ 4Å; M1-F3 HydrophobicContact SD-CE1 4.35Å; M1-F3 HydrophobicContact SD-CE2 3.92Å; M1-F3 HydrophobicContact SD-CZ 3.55Å; M1-F3 VanDerWaalsContact SD-CZ 3.55Å
2	V	36.4	Very low	45.8	Very low	56 Å²	56	65.9 Å²	65.9	34%	0.339	34%	0.344	S	S	.	.			trans	-110.7	119.5	173.1	169.3	0	0	0	0	104.3	K17	V2-K17 HydrophobicContact CG1-CD 4.22Å; V2-K17 HydrophobicContact CG1-CG 3.72Å
3	F	43.7	Very low	45.9	Very low	52 Å²	52	66.9 Å²	66.9	23%	0.228	35%	0.345	C	S	.	.			trans	-86.2	125.2	172	-70.3	-84.7	0	0	0	108	M1 K17 T18 Y49	M1-F3 HydrophobicContact CB-CE2 4.49Å; M1-F3 HydrophobicContact CE-CE1 3.74Å; M1-F3 HydrophobicContact CE-CE2 4.39Å; M1-F3 HydrophobicContact CE-CZ 3.51Å; M1-F3 HydrophobicContact CG-CE2 3.95Å; M1-F3 HydrophobicContact CG-CZ 4Å; M1-F3 HydrophobicContact SD-CE1 4.35Å; M1-F3 HydrophobicContact SD-CE2 3.92Å; M1-F3 HydrophobicContact SD-CZ 3.55Å; M1-F3 VanDerWaalsContact SD-CZ 3.55Å; F3-K17 WeakPolarHBondContact O-CA 3.31Å; F3-T18 PolarHBondContact O-N 2.92Å; F3-Y49 WeakPolarHBondContact CZ-OH 3.18Å
4	R	46.6	Very low	46.5	Very low	147 Å²	147	62.2 Å²	62.2	56%	0.555	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.9	173.5	-172.9	-170	-179.2	158.2	-0.7	106.2	E6 L15	R4-E6 IonicContact CZ-OE1 3Å; R4-E6 IonicContact NE-OE1 2.79Å; R4-E6 PolarHBondContact NE-OE1 3.43Å; R4-E6 IonicContact NH2-OE1 2.59Å; R4-E6 PolarHBondContact NH2-OE1 2.92Å; R4-L15 HydrophobicContact CG-CD1 3.5Å; R4-L15 VanDerWaalsContact CG-CD1 3.5Å
5	I	50.1	Low	46.9	Very low	21 Å²	21	58.9 Å²	58.9	11%	0.108	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.7	168.7	-50	175.6	0	0	0	107.3	V7 L15 L16 Y69 C370	I5-V7 HydrophobicContact CG2-CG2 3.83Å; I5-L15 WeakPolarHBondContact O-CA 3.31Å; I5-L16 HydrophobicContact CB-CB 4.19Å; I5-L16 HydrophobicContact CB-CD1 4.49Å; I5-L16 PolarHBondContact N-O 2.71Å; I5-L16 PolarHBondContact O-N 3.04Å; I5-Y69 HydrophobicContact CD1-CD2 3.45Å; I5-Y69 VanDerWaalsContact CD1-CD2 3.45Å; I5-Y69 HydrophobicContact CD1-CE2 3.55Å; I5-Y69 HydrophobicContact CG1-CE2 4.39Å; I5-C370 HydrophobicContact CD1-CB 3.99Å; I5-C370 WeakPolarHBondContact CD1-SG 2.86Å
6	E	44.8	Very low	47.4	Very low	115 Å²	115	55.3 Å²	55.3	54%	0.537	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.6	168.1	-70.2	-177.1	170.7	0	0	108.5	R4 L15	R4-E6 IonicContact CZ-OE1 3Å; R4-E6 IonicContact NE-OE1 2.79Å; R4-E6 PolarHBondContact NE-OE1 3.43Å; R4-E6 IonicContact NH2-OE1 2.59Å; R4-E6 PolarHBondContact NH2-OE1 2.92Å; E6-L15 HydrophobicContact CG-CD1 3.68Å
7	V	51.5	Low	47.7	Very low	19 Å²	19	53.8 Å²	53.8	12%	0.115	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.4	174.4	-169.8	0	0	0	0	107.9	I5 L9 L14 L64 I67	I5-V7 HydrophobicContact CG2-CG2 3.83Å; V7-L9 HydrophobicContact CB-CD2 4.34Å; V7-L9 HydrophobicContact CG1-CD2 3.94Å; V7-L14 HydrophobicContact CB-CB 4.27Å; V7-L14 PolarHBondContact N-O 3.16Å; V7-L14 PolarHBondContact O-N 3.48Å; V7-L64 HydrophobicContact CG1-CD1 4.2Å; V7-L64 HydrophobicContact CG1-CD2 3.75Å; V7-I67 HydrophobicContact CB-CD1 4.31Å; V7-I67 HydrophobicContact CG1-CD1 4.17Å; V7-I67 HydrophobicContact CG2-CD1 3.77Å
8	N	48.4	Very low	47.9	Very low	104 Å²	104	51.2 Å²	51.2	56%	0.556	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.1	171.3	-173.5	-9.4	0	0	0	108.9	G10 G12 F13	N8-G10 PolarHBondContact OD1-N 2.98Å; N8-G12 PolarHBondContact OD1-O 3.41Å; N8-F13 HydrophobicContact CB-CD1 4.34Å; N8-F13 HydrophobicContact CB-CE1 4.22Å
9	L	48.9	Very low	47.9	Very low	16 Å²	16	50.1 Å²	50.1	8%	0.084	26%	0.257	C	S	.	.			trans	-99	6	-177.2	-45.1	-175.2	0	0	0	112.5	V7 N11 G12 L14 L64 L111	V7-L9 HydrophobicContact CB-CD2 4.34Å; V7-L9 HydrophobicContact CG1-CD2 3.94Å; L9-N11 PolarHBondContact O-N 3.2Å; L9-G12 WeakPolarHBondContact CB-O 3.4Å; L9-G12 PolarHBondContact N-O 3.19Å; L9-L14 HydrophobicContact CD1-CB 4.23Å; L9-L14 HydrophobicContact CD2-CB 4.19Å; L9-L14 HydrophobicContact CG-CB 4.44Å; L9-L64 HydrophobicContact CD2-CD1 3.14Å; L9-L64 HydrophobicContact CD2-CD2 3.55Å; L9-L64 HydrophobicContact CD2-CG 3.46Å; L9-L64 VanDerWaalsContact CD2-CG 3.46Å; L9-L111 HydrophobicContact CD1-CD1 3.45Å; L9-L111 VanDerWaalsContact CD1-CD1 3.45Å; L9-L111 HydrophobicContact CD1-CD2 3.76Å; L9-L111 HydrophobicContact CD1-CG 4.25Å
10	G	50.5	Low	48.1	Very low	54 Å²	54	52.4 Å²	52.4	56%	0.557	27%	0.265	S	S	*	.	S	Bend	trans	76.1	-59.8	-169.4	0	0	0	0	0	111.9	N8	N8-G10 PolarHBondContact OD1-N 2.98Å
11	N	48.1	Very low	47.9	Very low	68 Å²	68	55.6 Å²	55.6	36%	0.364	27%	0.274	S	S	.	.	S	Bend	trans	-95	12.7	178.4	-62.5	-10.6	0	0	0	112.8	L9 I84	L9-N11 PolarHBondContact O-N 3.2Å; N11-I84 WeakPolarHBondContact O-CA 3.48Å; N11-I84 WeakPolarHBondContact O-CB 3.49Å; N11-I84 PolarHBondContact O-N 3.46Å
12	G	50	Low	48.4	Very low	1 Å²	1	54.5 Å²	54.5	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	175	-173.1	0	0	0	0	0	113.3	N8 L9 K82	N8-G12 PolarHBondContact OD1-O 3.41Å; L9-G12 WeakPolarHBondContact CB-O 3.4Å; L9-G12 PolarHBondContact N-O 3.19Å; G12-K82 CarbonylContact C-O 3.59Å; G12-K82 WeakPolarHBondContact CA-O 3.3Å
13	F	48.3	Very low	48.2	Very low	79 Å²	79	58.5 Å²	58.5	35%	0.346	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.7	171.9	-62.7	-86.7	0	0	0	109.4	N8 A81 K82 I84	N8-F13 HydrophobicContact CB-CD1 4.34Å; N8-F13 HydrophobicContact CB-CE1 4.22Å; F13-A81 CarbonylContact O-C 3.37Å; F13-A81 WeakPolarHBondContact O-CA 3.35Å; F13-K82 HydrophobicContact CB-CB 4.26Å; F13-K82 HydrophobicContact CD2-CD 4.08Å; F13-K82 PolarHBondContact N-O 3.04Å; F13-K82 PolarHBondContact O-N 2.84Å; F13-I84 HydrophobicContact CD2-CD1 4.19Å; F13-I84 HydrophobicContact CD2-CG1 4.38Å; F13-I84 HydrophobicContact CE2-CD1 3.63Å; F13-I84 HydrophobicContact CE2-CG1 4.15Å; F13-I84 HydrophobicContact CZ-CD1 4.32Å
14	L	53.3	Low	47.5	Very low	1 Å²	1	62.2 Å²	62.2	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.4	166.5	-173.9	73.6	0	0	0	108.2	V7 L9 L16 I59 I67 I79 M80 A81 L113	V7-L14 HydrophobicContact CB-CB 4.27Å; V7-L14 PolarHBondContact N-O 3.16Å; V7-L14 PolarHBondContact O-N 3.48Å; L9-L14 HydrophobicContact CD1-CB 4.23Å; L9-L14 HydrophobicContact CD2-CB 4.19Å; L9-L14 HydrophobicContact CG-CB 4.44Å; L14-L16 HydrophobicContact CD2-CD1 4.04Å; L14-L16 HydrophobicContact CD2-CG 4.25Å; L14-L16 HydrophobicContact CG-CG 4.34Å; L14-I59 HydrophobicContact CD2-CD1 4.44Å; L14-I59 HydrophobicContact CD2-CG2 4Å; L14-I67 HydrophobicContact CD2-CD1 4.01Å; L14-I79 HydrophobicContact CD1-CG2 3.57Å; L14-M80 CarbonylContact C-O 3.6Å; L14-M80 WeakPolarHBondContact CA-O 3.43Å; L14-A81 HydrophobicContact CD1-CB 4.19Å; L14-L113 HydrophobicContact CD1-CD1 3.87Å; L14-L113 HydrophobicContact CD1-CD2 3.89Å; L14-L113 HydrophobicContact CD2-CD2 3.93Å
15	L	52.3	Low	46.6	Very low	12 Å²	12	61.8 Å²	61.8	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.9	173.8	170.6	60.4	0	0	0	108.8	R4 I5 E6 M80	R4-L15 HydrophobicContact CG-CD1 3.5Å; R4-L15 VanDerWaalsContact CG-CD1 3.5Å; I5-L15 WeakPolarHBondContact O-CA 3.31Å; E6-L15 HydrophobicContact CG-CD1 3.68Å; L15-M80 HydrophobicContact CB-CB 4.13Å; L15-M80 HydrophobicContact CB-CE 4.45Å; L15-M80 HydrophobicContact CD2-CE 3.26Å; L15-M80 HydrophobicContact CD2-SD 4.43Å; L15-M80 HydrophobicContact CG-CE 3.71Å; L15-M80 PolarHBondContact N-O 2.97Å; L15-M80 PolarHBondContact O-N 3.02Å
16	L	55.9	Low	45.5	Very low	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.2	175.7	-66.8	155.5	0	0	0	108.4	I5 L14 I59 I67 L77 I79	I5-L16 HydrophobicContact CB-CB 4.19Å; I5-L16 HydrophobicContact CB-CD1 4.49Å; I5-L16 PolarHBondContact N-O 2.71Å; I5-L16 PolarHBondContact O-N 3.04Å; L14-L16 HydrophobicContact CD2-CD1 4.04Å; L14-L16 HydrophobicContact CD2-CG 4.25Å; L14-L16 HydrophobicContact CG-CG 4.34Å; L16-I59 HydrophobicContact CD1-CD1 3.67Å; L16-I59 HydrophobicContact CD2-CD1 3.28Å; L16-I59 HydrophobicContact CG-CD1 4.06Å; L16-I67 HydrophobicContact CD1-CG2 4.43Å; L16-L77 HydrophobicContact CD2-CD1 4.22Å; L16-L77 HydrophobicContact CD2-CD2 4.13Å; L16-I79 HydrophobicContact CD2-CB 4.44Å; L16-I79 HydrophobicContact CD2-CD1 4.32Å; L16-I79 HydrophobicContact CD2-CG1 3.84Å; L16-I79 HydrophobicContact CD2-CG2 4.2Å
17	K	52.6	Low	44.6	Very low	30 Å²	30	69.5 Å²	69.5	13%	0.13	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.9	176.7	-172.8	-178.4	-174.8	-178.7	0	109.9	V2 F3 M19 L78	V2-K17 HydrophobicContact CG1-CD 4.22Å; V2-K17 HydrophobicContact CG1-CG 3.72Å; F3-K17 WeakPolarHBondContact O-CA 3.31Å; K17-M19 HydrophobicContact CG-CG 4.43Å; K17-L78 HydrophobicContact CB-CB 4.28Å; K17-L78 PolarHBondContact N-O 3.34Å; K17-L78 WeakPolarHBondContact O-CB 3.39Å; K17-L78 PolarHBondContact O-N 3.21Å
18	T	51.2	Low	43.4	Very low	8 Å²	8	72.6 Å²	72.6	5%	0.049	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.5	167.6	37.9	0	0	0	0	111.3	F3 Y69 M71 E76 L77	F3-T18 PolarHBondContact O-N 2.92Å; T18-Y69 WeakPolarHBondContact CB-OH 3.47Å; T18-Y69 HydrophobicContact CG2-CE1 3.39Å; T18-Y69 WeakPolarHBondContact CG2-OH 3.05Å; T18-Y69 PolarHBondContact OG1-OH 2.79Å; T18-M71 HydrophobicContact CG2-CB 4.31Å; T18-M71 HydrophobicContact CG2-CE 3.98Å; T18-E76 CarbonylContact C-O 3.59Å; T18-E76 WeakPolarHBondContact CA-O 3.35Å; T18-L77 HydrophobicContact CG2-CD1 3.93Å
19	M	48.5	Very low	42.5	Very low	29 Å²	29	72.1 Å²	72.1	14%	0.143	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.5	176.7	-56.6	-173	-62.2	0	0	108.3	K17 R21 D75 E76 L78	K17-M19 HydrophobicContact CG-CG 4.43Å; M19-R21 PolarHBondContact O-N 2.83Å; M19-D75 CarbonylContact O-C 3.56Å; M19-D75 WeakPolarHBondContact O-CA 3.46Å; M19-E76 HydrophobicContact CB-CB 4.37Å; M19-E76 HydrophobicContact CE-CB 4.24Å; M19-E76 PolarHBondContact N-O 2.71Å; M19-E76 PolarHBondContact O-N 3.48Å; M19-L78 HydrophobicContact CE-CB 4.33Å
20	K	52	Low	41.4	Very low	96 Å²	96	79.1 Å²	79.1	42%	0.417	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.1	170.6	-68.8	-172.8	174	-170.5	0	108.2	K22 T48	K20-K22 PolarHBondContact O-N 3.45Å; K20-T48 HydrophobicContact CD-CG2 4.42Å; K20-T48 VanDerWaalsContact CE-OG1 3.27Å; K20-T48 WeakPolarHBondContact CE-OG1 3.36Å; K20-T48 HydrophobicContact CG-CG2 4.13Å; K20-T48 PolarHBondContact NZ-OG1 3.11Å
21	R	43.2	Very low	40.3	Very low	120 Å²	120	85.7 Å²	85.7	45%	0.453	42%	0.417	S	S	.	.			trans	-61.7	123.3	166.8	-163.9	171.5	-175.4	162.8	2.6	108	M19 F23 Y74 E76	M19-R21 PolarHBondContact O-N 2.83Å; R21-F23 PolarHBondContact O-N 3.31Å; R21-F23 VanDerWaalsContact O-N 3.15Å; R21-Y74 WeakPolarHBondContact CB-O 3.31Å; R21-Y74 PolarHBondContact N-O 3.32Å; R21-E76 HydrophobicContact CB-CG 4.43Å
22	K	40.2	Very low	39.3	Very low	115 Å²	115	90.3 Å²	90.3	50%	0.5	43%	0.434	S	S	.	.			trans	-70.2	109	166.3	-73.9	-178.2	-178.2	172.6	0	106	K20 D24 I337	K20-K22 PolarHBondContact O-N 3.45Å; K22-D24 PolarHBondContact O-N 3.15Å; K22-I337 VanDerWaalsContact NZ-CG2 3.26Å; K22-I337 PolarHBondContact NZ-O 3.16Å
23	F	32.3	Very low	38.1	Very low	140 Å²	140	98 Å²	98	61%	0.614	47%	0.474	S	S	*	.			trans	-68.8	92.5	159	-74.5	-82.7	0	0	0	106.3	R21 H25 Y74	R21-F23 PolarHBondContact O-N 3.31Å; R21-F23 VanDerWaalsContact O-N 3.15Å; F23-H25 VanDerWaalsContact C-N 3.27Å; F23-H25 PolarHBondContact O-N 3.32Å; F23-Y74 HydrophobicContact CE2-CD1 4.31Å; F23-Y74 HydrophobicContact CE2-CG 4.2Å; F23-Y74 AromaticContact CZ-CD1 3.67Å; F23-Y74 HydrophobicContact CZ-CD1 3.67Å; F23-Y74 HydrophobicContact CZ-CE1 4.22Å; F23-Y74 HydrophobicContact CZ-CG 4.02Å
24	D	29.9	Very low	37.1	Very low	131 Å²	131	99.5 Å²	99.5	70%	0.701	49%	0.485	S	S	*	.			trans	-62.2	106	154.5	-77.6	-23.9	0	0	0	104.8	K22 I26	K22-D24 PolarHBondContact O-N 3.15Å; D24-I26 PolarHBondContact O-N 3.21Å
25	H	27.5	Very low	35.7	Very low	137 Å²	137	107.2 Å²	107.2	63%	0.634	53%	0.526	S	S	*	.			trans	-62.2	85.2	179.8	-167.2	-31.8	0	0	0	107.4	F23 Q27	F23-H25 VanDerWaalsContact C-N 3.27Å; F23-H25 PolarHBondContact O-N 3.32Å; H25-Q27 PolarHBondContact O-N 2.81Å
26	I	26.1	Very low	34.7	Very low	123 Å²	123	111.2 Å²	111.2	63%	0.631	55%	0.547	S	S	*	.			trans	-61.1	110.2	165.8	-59.4	167.8	0	0	0	104.3	D24 S28	D24-I26 PolarHBondContact O-N 3.21Å; I26-S28 WeakPolarHBondContact CG2-OG 3.27Å; I26-S28 PolarHBondContact O-N 3.48Å
27	Q	26.3	Very low	33.4	Very low	176 Å²	176	116 Å²	116	82%	0.822	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-65.4	24.7	175.8	-79.8	-177.6	-24	0	0	113	H25	H25-Q27 PolarHBondContact O-N 2.81Å
28	S	26.6	Very low	32.2	Very low	83 Å²	83	124 Å²	124	58%	0.58	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-90.5	0.9	-179	64.7	0	0	0	0	114.5	I26 N30	I26-S28 WeakPolarHBondContact CG2-OG 3.27Å; I26-S28 PolarHBondContact O-N 3.48Å; S28-N30 PolarHBondContact O-N 2.7Å
29	V	28	Very low	31.1	Very low	95 Å²	95	132 Å²	132	58%	0.576	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-78.3	2.8	179.5	-162.1	0	0	0	0	113.4	K31	V29-K31 PolarHBondContact O-N 2.99Å; V29-K31 VanDerWaalsContact O-N 3.09Å
30	N	27.8	Very low	30.2	Very low	162 Å²	162	135.6 Å²	135.6	87%	0.866	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-75.3	13.2	175.3	-88.3	0.2	0	0	0	115.5	S28	S28-N30 PolarHBondContact O-N 2.7Å
31	K	27.3	Very low	29	Very low	193 Å²	193	141.2 Å²	141.2	84%	0.839	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-128.3	-2.7	171.8	-88.2	-173.2	176.6	-179.5	0	117.2	V29 N33	V29-K31 PolarHBondContact O-N 2.99Å; V29-K31 VanDerWaalsContact O-N 3.09Å; K31-N33 PolarHBondContact O-N 3.24Å
32	F	26.3	Very low	28.4	Very low	164 Å²	164	143.2 Å²	143.2	72%	0.719	70%	0.701	S	S	*	*			trans	-91.3	89	170.1	-78.8	-78.7	0	0	0	109.8	I34	F32-I34 HydrophobicContact CB-CD1 4.36Å; F32-I34 HydrophobicContact CB-CG1 4.28Å; F32-I34 HydrophobicContact CD1-CD1 4.46Å; F32-I34 PolarHBondContact O-N 2.7Å
33	N	24.3	Very low	27.9	Very low	162 Å²	162	141.6 Å²	141.6	87%	0.866	70%	0.703	S	S	*	*			trans	-69.6	66.4	169.9	-143.6	13.9	0	0	0	108.8	K31	K31-N33 PolarHBondContact O-N 3.24Å
34	I	27.6	Very low	27.8	Very low	111 Å²	111	141.7 Å²	141.7	57%	0.569	71%	0.705	S	S	*	*			trans	-98.5	118.2	170.4	-54	176.4	0	0	0	105.4	F32 I36	F32-I34 HydrophobicContact CB-CD1 4.36Å; F32-I34 HydrophobicContact CB-CG1 4.28Å; F32-I34 HydrophobicContact CD1-CD1 4.46Å; F32-I34 PolarHBondContact O-N 2.7Å; I34-I36 HydrophobicContact CB-CD1 4.2Å; I34-I36 HydrophobicContact CB-CG1 3.92Å; I34-I36 HydrophobicContact CG2-CD1 4.04Å; I34-I36 HydrophobicContact CG2-CG1 3.5Å; I34-I36 VanDerWaalsContact CG2-CG1 3.5Å; I34-I36 PolarHBondContact O-N 3.38Å
35	N	24.7	Very low	27.9	Very low	163 Å²	163	144.2 Å²	144.2	87%	0.872	71%	0.71	S	S	*	*			trans	-61.4	63.7	171.3	-83	-27.7	0	0	0	110.9
36	I	31.2	Very low	28	Very low	96 Å²	96	145.3 Å²	145.3	49%	0.492	71%	0.71	S	S	.	*			trans	-82.3	124.7	175	-57.6	-179.5	0	0	0	106.8	I34 K38 I40	I34-I36 HydrophobicContact CB-CD1 4.2Å; I34-I36 HydrophobicContact CB-CG1 3.92Å; I34-I36 HydrophobicContact CG2-CD1 4.04Å; I34-I36 HydrophobicContact CG2-CG1 3.5Å; I34-I36 VanDerWaalsContact CG2-CG1 3.5Å; I34-I36 PolarHBondContact O-N 3.38Å; I36-K38 PolarHBondContact O-N 3.35Å; I36-I40 HydrophobicContact CG2-CB 4.22Å; I36-I40 HydrophobicContact CG2-CD1 3.63Å; I36-I40 HydrophobicContact CG2-CG1 4.04Å
37	P	27.4	Very low	28.4	Very low	102 Å²	102	142.4 Å²	142.4	66%	0.662	70%	0.7	S	S	*	*			trans	-55.8	141	-174.9	19.2	-29.5	0	0	0	111	H39 I40	P37-H39 PolarHBondContact O-N 3.36Å; P37-I40 PolarHBondContact O-N 2.7Å
38	K	28.9	Very low	29	Very low	198 Å²	198	134.9 Å²	134.9	86%	0.861	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-49.2	-8.9	-169.4	-72.2	176.5	176.3	174.7	0	116.3	I36 I40	I36-K38 PolarHBondContact O-N 3.35Å; K38-I40 PolarHBondContact O-N 3.35Å
39	H	27.8	Very low	29.5	Very low	175 Å²	175	134.4 Å²	134.4	81%	0.81	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-73.9	-15.2	178.3	-96.8	-70.3	0	0	0	115.8	P37	P37-H39 PolarHBondContact O-N 3.36Å
40	I	29.8	Very low	30.2	Very low	106 Å²	106	132.8 Å²	132.8	54%	0.544	64%	0.644	S	S	.	*	G	3₁₀ helix	trans	-89	-11.3	-178.2	-54.5	-168.2	0	0	0	113.4	I36 P37 K38 H42 C43	I36-I40 HydrophobicContact CG2-CB 4.22Å; I36-I40 HydrophobicContact CG2-CD1 3.63Å; I36-I40 HydrophobicContact CG2-CG1 4.04Å; P37-I40 PolarHBondContact O-N 2.7Å; K38-I40 PolarHBondContact O-N 3.35Å; I40-H42 PolarHBondContact O-N 3.43Å; I40-C43 PolarHBondContact O-N 3.33Å
41	R	26.8	Very low	31	Very low	213 Å²	213	126.2 Å²	126.2	80%	0.804	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-67.8	-17.5	179.5	-76.4	-169.3	-176.4	-174.5	1.4	114.6
42	H	29.8	Very low	31.8	Very low	162 Å²	162	123.1 Å²	123.1	75%	0.75	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-100.2	-6.5	-178.5	-74.7	-31.2	0	0	0	115.6	I40	I40-H42 PolarHBondContact O-N 3.43Å
43	C	28.7	Very low	32.8	Very low	81 Å²	81	119.6 Å²	119.6	55%	0.547	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-2.7	176.7	-74.5	0	0	0	0	114.5	I40 K45	I40-C43 PolarHBondContact O-N 3.33Å; C43-K45 PolarHBondContact O-N 3.37Å
44	Q	30.8	Very low	34.1	Very low	142 Å²	142	114.7 Å²	114.7	66%	0.664	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-10.7	-178.8	-83.2	-178.1	-21.7	0	0	115.1
45	K	32.8	Very low	35.2	Very low	185 Å²	185	112.5 Å²	112.5	80%	0.804	55%	0.551	S	S	*	*	S	Bend	trans	-121.6	-3.7	-179	-81.8	-171.7	175.6	-176.8	0	116.2	C43	C43-K45 PolarHBondContact O-N 3.37Å
46	Y	29	Very low	36.5	Very low	159 Å²	159	105 Å²	105	62%	0.624	51%	0.511	S	S	*	.			trans	-115.1	100.7	-172.7	-63.3	-73.1	0	0	0	112.1	C50	Y46-C50 VanDerWaalsContact O-CB 3.31Å; Y46-C50 WeakPolarHBondContact O-CB 3.48Å
47	C	33.9	Very low	37.7	Very low	63 Å²	63	100.7 Å²	100.7	43%	0.426	49%	0.489	S	S	.	.				57.4	140.1	128.8	-151.9	0	0	0	0	119.6	Y49 C50	C47-Y49 PolarHBondContact O-N 3.02Å; C47-C50 PolarHBondContact O-N 3.28Å
48	T	39.2	Very low	38.9	Very low	18 Å²	18	96.7 Å²	96.7	11%	0.11	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-37.2	-6.5	159.8	30.2	0	0	0	0	117.2	K20 R54 C72 D75	K20-T48 HydrophobicContact CD-CG2 4.42Å; K20-T48 VanDerWaalsContact CE-OG1 3.27Å; K20-T48 WeakPolarHBondContact CE-OG1 3.36Å; K20-T48 HydrophobicContact CG-CG2 4.13Å; K20-T48 PolarHBondContact NZ-OG1 3.11Å; T48-R54 PolarHBondContact O-NH1 2.83Å; T48-R54 PolarHBondContact O-NH2 3.32Å; T48-C72 VanDerWaalsContact CA-SG 3.54Å; T48-C72 PolarHBondContact O-SG 3.44Å; T48-D75 WeakPolarHBondContact CG2-OD1 3.41Å; T48-D75 VanDerWaalsContact CG2-OD2 3.23Å; T48-D75 WeakPolarHBondContact CG2-OD2 3.23Å
49	Y	37.6	Very low	40.1	Very low	72 Å²	72	87.2 Å²	87.2	28%	0.282	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-11.7	-178.8	-70.7	-81.5	0	0	0	114.4	F3 C47 R54	F3-Y49 WeakPolarHBondContact CZ-OH 3.18Å; C47-Y49 PolarHBondContact O-N 3.02Å; Y49-R54 PolarHBondContact O-NH2 3.16Å
50	C	41.7	Very low	41.3	Very low	62 Å²	62	82.1 Å²	82.1	42%	0.419	40%	0.397	S	S	.	.	S	Bend	trans	-101.9	-10.6	-166.7	-56.5	0	0	0	0	115.1	Y46 C47 P52	Y46-C50 VanDerWaalsContact O-CB 3.31Å; Y46-C50 WeakPolarHBondContact O-CB 3.48Å; C47-C50 PolarHBondContact O-N 3.28Å; C50-P52 WeakPolarHBondContact O-CD 3.49Å
51	S	45.1	Very low	42.2	Very low	23 Å²	23	77.2 Å²	77.2	16%	0.161	37%	0.372	C	S	.	.			trans	-78.3	120	172.6	-179.4	0	0	0	0	109.3	E53 R54	S51-E53 WeakPolarHBondContact CB-O 3.15Å; S51-E53 PolarHBondContact O-N 3.24Å; S51-E53 PolarHBondContact OG-N 3.09Å; S51-E53 PolarHBondContact OG-O 3.22Å; S51-R54 PolarHBondContact O-NE 2.93Å
52	P	43.8	Very low	43.4	Very low	128 Å²	128	74.1 Å²	74.1	83%	0.831	37%	0.366	S	S	*	.	S	Bend	trans	-65.1	-23.8	170	27.4	-32.8	0	0	0	110.9	C50	C50-P52 WeakPolarHBondContact O-CD 3.49Å
53	E	47.4	Very low	44.2	Very low	91 Å²	91	72.2 Å²	72.2	43%	0.425	36%	0.358	S	S	.	.			trans	-79.9	123.9	173.3	-51.9	-161.2	160.1	0	0	110.1	S51 P73 K119	S51-E53 WeakPolarHBondContact CB-O 3.15Å; S51-E53 PolarHBondContact O-N 3.24Å; S51-E53 PolarHBondContact OG-N 3.09Å; S51-E53 PolarHBondContact OG-O 3.22Å; E53-P73 WeakPolarHBondContact O-CD 2.96Å; E53-K119 VanDerWaalsContact CD-CE 3.44Å; E53-K119 IonicContact OE1-NZ 2.68Å; E53-K119 PolarHBondContact OE1-NZ 3.08Å; E53-K119 WeakPolarHBondContact OE2-CE 3.39Å; E53-K119 IonicContact OE2-NZ 3.07Å; E53-K119 PolarHBondContact OE2-NZ 2.96Å; E53-K119 VanDerWaalsContact OE2-NZ 3.07Å
54	R	52.9	Low	45.1	Very low	58 Å²	58	69.6 Å²	69.6	22%	0.219	34%	0.338	C	S	.	.			trans	-121.6	137.5	177	-60.9	-62.2	-176.9	166	2	109.8	T48 Y49 S51 T70 C72 L120	T48-R54 PolarHBondContact O-NH1 2.83Å; T48-R54 PolarHBondContact O-NH2 3.32Å; Y49-R54 PolarHBondContact O-NH2 3.16Å; S51-R54 PolarHBondContact O-NE 2.93Å; R54-T70 HydrophobicContact CB-CG2 3.71Å; R54-T70 HydrophobicContact CG-CG2 4.16Å; R54-C72 PolarHBondContact NH1-SG 2.96Å; R54-L120 HydrophobicContact CB-CB 4.19Å; R54-L120 HydrophobicContact CB-CD2 4.43Å; R54-L120 PolarHBondContact O-N 3.22Å
55	Y	51.1	Low	46.1	Very low	65 Å²	65	67.1 Å²	67.1	26%	0.255	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	135.7	163	-71.6	-58.4	0	0	0	109.1	T70 M71 P73 G118	Y55-T70 CarbonylContact O-C 3.59Å; Y55-T70 VanDerWaalsContact O-CA 3.29Å; Y55-T70 WeakPolarHBondContact O-CA 3.37Å; Y55-M71 PolarHBondContact N-O 3.47Å; Y55-M71 PolarHBondContact O-N 3.41Å; Y55-P73 VanDerWaalsContact CD2-CA 3.41Å; Y55-P73 HydrophobicContact CD2-CB 3.73Å; Y55-P73 HydrophobicContact CE2-CB 3.24Å; Y55-G118 WeakPolarHBondContact CA-O 3.43Å
56	T	51.7	Low	47	Very low	7 Å²	7	59.8 Å²	59.8	4%	0.043	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.2	164.5	-55	0	0	0	0	107.5	Y69 G118 L120 F123	T56-Y69 CarbonylContact C-O 3.59Å; T56-G118 PolarHBondContact N-O 3.1Å; T56-G118 PolarHBondContact O-N 3.4Å; T56-L120 WeakPolarHBondContact OG1-CD1 3.32Å; T56-F123 HydrophobicContact CG2-CD2 4.49Å; T56-F123 HydrophobicContact CG2-CE2 4.48Å
57	I	55.2	Low	48.3	Very low	4 Å²	4	52.8 Å²	52.8	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.5	174.7	-57.1	-165.7	0	0	0	106.6	I59 Y69 M71 L77 I115 T116 L203	I57-I59 HydrophobicContact CG2-CD1 4.41Å; I57-I59 HydrophobicContact CG2-CG1 3.92Å; I57-Y69 PolarHBondContact N-O 3.03Å; I57-Y69 PolarHBondContact O-N 2.75Å; I57-M71 HydrophobicContact CD1-CE 3.18Å; I57-M71 HydrophobicContact CD1-SD 3.8Å; I57-M71 HydrophobicContact CG1-CE 3.98Å; I57-L77 HydrophobicContact CD1-CD2 3.51Å; I57-L77 HydrophobicContact CG2-CD2 4.41Å; I57-I115 HydrophobicContact CG2-CG2 3.6Å; I57-T116 CarbonylContact C-O 3.59Å; I57-T116 WeakPolarHBondContact CA-O 3.44Å; I57-L203 HydrophobicContact CD1-CD1 4.49Å
58	L	52.2	Low	49.3	Very low	18 Å²	18	52.2 Å²	52.2	9%	0.094	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.2	170.5	-168.6	73.6	0	0	0	107.9	Q66 I67 H68 I115 T116 P128	L58-Q66 HydrophobicContact CD1-CB 3.92Å; L58-Q66 HydrophobicContact CD1-CG 4.29Å; L58-I67 CarbonylContact C-O 3.51Å; L58-I67 WeakPolarHBondContact CA-O 3.5Å; L58-H68 WeakPolarHBondContact CD1-CE1 3.16Å; L58-H68 WeakPolarHBondContact CD1-NE2 3.33Å; L58-I115 WeakPolarHBondContact O-CA 3.34Å; L58-T116 PolarHBondContact N-O 2.93Å; L58-T116 PolarHBondContact O-N 3.18Å; L58-P128 HydrophobicContact CD2-CB 4.32Å
59	I	56	Low	50.1	Low	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118	173	-54.2	170.3	0	0	0	107.4	L14 L16 I57 I67 L113 S114 I115	L14-I59 HydrophobicContact CD2-CD1 4.44Å; L14-I59 HydrophobicContact CD2-CG2 4Å; L16-I59 HydrophobicContact CD1-CD1 3.67Å; L16-I59 HydrophobicContact CD2-CD1 3.28Å; L16-I59 HydrophobicContact CG-CD1 4.06Å; I57-I59 HydrophobicContact CG2-CD1 4.41Å; I57-I59 HydrophobicContact CG2-CG1 3.92Å; I59-I67 HydrophobicContact CB-CB 4.21Å; I59-I67 PolarHBondContact N-O 2.89Å; I59-I67 PolarHBondContact O-N 2.72Å; I59-L113 HydrophobicContact CG2-CD2 3.34Å; I59-S114 WeakPolarHBondContact CA-O 3.45Å; I59-I115 HydrophobicContact CG1-CG1 4.47Å
60	H	51	Low	50.8	Low	67 Å²	67	52 Å²	52	31%	0.31	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.4	179.4	179.6	-95.2	0	0	0	110.2	L113 S114	H60-L113 WeakPolarHBondContact O-CA 3.41Å; H60-S114 PolarHBondContact N-O 3.3Å; H60-S114 PolarHBondContact O-N 3.36Å
61	N	49.7	Very low	51.6	Low	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150	170.2	177.2	-85.1	0	0	0	107.9	H63 L64 L111 V112	N61-H63 PolarHBondContact O-N 2.86Å; N61-H63 VanDerWaalsContact O-N 3.11Å; N61-H63 WeakPolarHBondContact OD1-CB 3.49Å; N61-H63 PolarHBondContact OD1-N 3.24Å; N61-L64 HydrophobicContact CB-CB 4Å; N61-L64 HydrophobicContact CB-CD1 4.11Å; N61-L64 HydrophobicContact CB-CG 4.18Å; N61-L64 CarbonylContact O-C 3.57Å; N61-L64 PolarHBondContact O-N 3.07Å; N61-L111 WeakPolarHBondContact ND2-CD1 3.37Å; N61-V112 PolarHBondContact ND2-O 2.87Å
62	E	51.3	Low	52.1	Low	147 Å²	147	48.8 Å²	48.8	69%	0.687	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.4	179.5	-64.8	-177.5	173.7	0	0	113.6
63	H	47.2	Very low	52.5	Low	123 Å²	123	43.6 Å²	43.6	57%	0.569	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-9	178.6	-53.1	-53.8	0	0	0	114	N61	N61-H63 PolarHBondContact O-N 2.86Å; N61-H63 VanDerWaalsContact O-N 3.11Å; N61-H63 WeakPolarHBondContact OD1-CB 3.49Å; N61-H63 PolarHBondContact OD1-N 3.24Å
64	L	46.6	Very low	52.6	Low	25 Å²	25	45.5 Å²	45.5	13%	0.131	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.9	176.8	-72.3	175.5	0	0	0	111.2	V7 L9 N61 I67	V7-L64 HydrophobicContact CG1-CD1 4.2Å; V7-L64 HydrophobicContact CG1-CD2 3.75Å; L9-L64 HydrophobicContact CD2-CD1 3.14Å; L9-L64 HydrophobicContact CD2-CD2 3.55Å; L9-L64 HydrophobicContact CD2-CG 3.46Å; L9-L64 VanDerWaalsContact CD2-CG 3.46Å; N61-L64 HydrophobicContact CB-CB 4Å; N61-L64 HydrophobicContact CB-CD1 4.11Å; N61-L64 HydrophobicContact CB-CG 4.18Å; N61-L64 CarbonylContact O-C 3.57Å; N61-L64 PolarHBondContact O-N 3.07Å; L64-I67 HydrophobicContact CD1-CD1 3.8Å
65	N	51.7	Low	52.5	Low	91 Å²	91	44 Å²	44	49%	0.487	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	146.3	155.5	-71.5	-17.8	0	0	0	109.7	I67 M375	N65-I67 PolarHBondContact O-N 2.68Å; N65-M375 PolarHBondContact ND2-O 3.22Å
66	Q	52.3	Low	52.5	Low	30 Å²	30	42.9 Å²	42.9	14%	0.14	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.9	125.8	-176.2	-67.6	175.4	6	0	0	112.3	L58 H68	L58-Q66 HydrophobicContact CD1-CB 3.92Å; L58-Q66 HydrophobicContact CD1-CG 4.29Å; Q66-H68 PolarHBondContact OE1-NE2 2.83Å
67	I	55.9	Low	52.6	Low	12 Å²	12	42.6 Å²	42.6	6%	0.062	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.9	169.8	-57.5	158.2	0	0	0	107.8	V7 L14 L16 L58 I59 L64 N65	V7-I67 HydrophobicContact CB-CD1 4.31Å; V7-I67 HydrophobicContact CG1-CD1 4.17Å; V7-I67 HydrophobicContact CG2-CD1 3.77Å; L14-I67 HydrophobicContact CD2-CD1 4.01Å; L16-I67 HydrophobicContact CD1-CG2 4.43Å; L58-I67 CarbonylContact C-O 3.51Å; L58-I67 WeakPolarHBondContact CA-O 3.5Å; I59-I67 HydrophobicContact CB-CB 4.21Å; I59-I67 PolarHBondContact N-O 2.89Å; I59-I67 PolarHBondContact O-N 2.72Å; L64-I67 HydrophobicContact CD1-CD1 3.8Å; N65-I67 PolarHBondContact O-N 2.68Å
68	H	54.8	Low	52.5	Low	52 Å²	52	43 Å²	43	24%	0.241	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.8	171.7	-69.9	-113.4	0	0	0	108.6	L58 Q66	L58-H68 WeakPolarHBondContact CD1-CE1 3.16Å; L58-H68 WeakPolarHBondContact CD1-NE2 3.33Å; Q66-H68 PolarHBondContact OE1-NE2 2.83Å
69	Y	56.7	Low	52.6	Low	12 Å²	12	42.2 Å²	42.2	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.5	-179.9	-173.1	-95.5	0	0	0	111.1	I5 T18 T56 I57 M71 L77	I5-Y69 HydrophobicContact CD1-CD2 3.45Å; I5-Y69 VanDerWaalsContact CD1-CD2 3.45Å; I5-Y69 HydrophobicContact CD1-CE2 3.55Å; I5-Y69 HydrophobicContact CG1-CE2 4.39Å; T18-Y69 WeakPolarHBondContact CB-OH 3.47Å; T18-Y69 HydrophobicContact CG2-CE1 3.39Å; T18-Y69 WeakPolarHBondContact CG2-OH 3.05Å; T18-Y69 PolarHBondContact OG1-OH 2.79Å; T56-Y69 CarbonylContact C-O 3.59Å; I57-Y69 PolarHBondContact N-O 3.03Å; I57-Y69 PolarHBondContact O-N 2.75Å; Y69-M71 HydrophobicContact CD1-CB 4.4Å; Y69-M71 HydrophobicContact CD1-CE 3.54Å; Y69-M71 HydrophobicContact CE1-CB 3.88Å; Y69-M71 HydrophobicContact CE1-CE 3.45Å; Y69-M71 VanDerWaalsContact CE1-CE 3.45Å; Y69-L77 HydrophobicContact CE1-CD1 4.24Å
70	T	53.2	Low	52.3	Low	74 Å²	74	42.8 Å²	42.8	45%	0.454	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.3	179.3	-47.3	0	0	0	0	111	R54 Y55	R54-T70 HydrophobicContact CB-CG2 3.71Å; R54-T70 HydrophobicContact CG-CG2 4.16Å; Y55-T70 CarbonylContact O-C 3.59Å; Y55-T70 VanDerWaalsContact O-CA 3.29Å; Y55-T70 WeakPolarHBondContact O-CA 3.37Å
71	M	57.9	Low	52.3	Low	12 Å²	12	39.8 Å²	39.8	6%	0.059	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	167.2	179.8	69.4	174.7	61.2	0	0	113.7	T18 Y55 I57 Y69 L77	T18-M71 HydrophobicContact CG2-CB 4.31Å; T18-M71 HydrophobicContact CG2-CE 3.98Å; Y55-M71 PolarHBondContact N-O 3.47Å; Y55-M71 PolarHBondContact O-N 3.41Å; I57-M71 HydrophobicContact CD1-CE 3.18Å; I57-M71 HydrophobicContact CD1-SD 3.8Å; I57-M71 HydrophobicContact CG1-CE 3.98Å; Y69-M71 HydrophobicContact CD1-CB 4.4Å; Y69-M71 HydrophobicContact CD1-CE 3.54Å; Y69-M71 HydrophobicContact CE1-CB 3.88Å; Y69-M71 HydrophobicContact CE1-CE 3.45Å; Y69-M71 VanDerWaalsContact CE1-CE 3.45Å; M71-L77 HydrophobicContact CE-CB 3.47Å; M71-L77 VanDerWaalsContact CE-CB 3.47Å; M71-L77 HydrophobicContact CE-CD1 3.9Å; M71-L77 HydrophobicContact CE-CD2 3.64Å; M71-L77 HydrophobicContact CE-CG 3.83Å; M71-L77 HydrophobicContact SD-CB 4.22Å
72	C	55.7	Low	52.1	Low	5 Å²	5	41.6 Å²	41.6	3%	0.034	20%	0.201	C	C	.	.			trans	-75	150	168.3	-87.1	0	0	0	0	111.7	T48 R54 Y74 D75	T48-C72 VanDerWaalsContact CA-SG 3.54Å; T48-C72 PolarHBondContact O-SG 3.44Å; R54-C72 PolarHBondContact NH1-SG 2.96Å; C72-Y74 PolarHBondContact O-N 3.09Å; C72-Y74 VanDerWaalsContact O-N 3.14Å; C72-D75 WeakPolarHBondContact CB-OD2 3.43Å; C72-D75 PolarHBondContact N-OD2 3.12Å; C72-D75 PolarHBondContact O-N 3.26Å; C72-D75 VanDerWaalsContact O-N 3.13Å
73	P	51	Low	51.7	Low	18 Å²	18	34.8 Å²	34.8	12%	0.117	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17	175.7	26.7	-36.1	0	0	0	115.2	E53 Y55	E53-P73 WeakPolarHBondContact O-CD 2.96Å; Y55-P73 VanDerWaalsContact CD2-CA 3.41Å; Y55-P73 HydrophobicContact CD2-CB 3.73Å; Y55-P73 HydrophobicContact CE2-CB 3.24Å
74	Y	50.2	Low	51.2	Low	132 Å²	132	31.2 Å²	31.2	52%	0.518	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3.2	179.8	-53.8	-66.4	0	0	0	113.1	R21 F23 C72	R21-Y74 WeakPolarHBondContact CB-O 3.31Å; R21-Y74 PolarHBondContact N-O 3.32Å; F23-Y74 HydrophobicContact CE2-CD1 4.31Å; F23-Y74 HydrophobicContact CE2-CG 4.2Å; F23-Y74 AromaticContact CZ-CD1 3.67Å; F23-Y74 HydrophobicContact CZ-CD1 3.67Å; F23-Y74 HydrophobicContact CZ-CE1 4.22Å; F23-Y74 HydrophobicContact CZ-CG 4.02Å; C72-Y74 PolarHBondContact O-N 3.09Å; C72-Y74 VanDerWaalsContact O-N 3.14Å
75	D	51.1	Low	50.7	Low	26 Å²	26	31.2 Å²	31.2	14%	0.139	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	149.8	174.2	-64.3	-28.2	0	0	0	110.4	M19 T48 C72	M19-D75 CarbonylContact O-C 3.56Å; M19-D75 WeakPolarHBondContact O-CA 3.46Å; T48-D75 WeakPolarHBondContact CG2-OD1 3.41Å; T48-D75 VanDerWaalsContact CG2-OD2 3.23Å; T48-D75 WeakPolarHBondContact CG2-OD2 3.23Å; C72-D75 WeakPolarHBondContact CB-OD2 3.43Å; C72-D75 PolarHBondContact N-OD2 3.12Å; C72-D75 PolarHBondContact O-N 3.26Å; C72-D75 VanDerWaalsContact O-N 3.13Å
76	E	51.7	Low	49.7	Very low	41 Å²	41	30.8 Å²	30.8	19%	0.192	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.1	169.3	-58.3	-178.7	165.6	0	0	108.6	T18 M19 R21 S204	T18-E76 CarbonylContact C-O 3.59Å; T18-E76 WeakPolarHBondContact CA-O 3.35Å; M19-E76 HydrophobicContact CB-CB 4.37Å; M19-E76 HydrophobicContact CE-CB 4.24Å; M19-E76 PolarHBondContact N-O 2.71Å; M19-E76 PolarHBondContact O-N 3.48Å; R21-E76 HydrophobicContact CB-CG 4.43Å; E76-S204 WeakPolarHBondContact OE1-CB 3.29Å
77	L	53.5	Low	48.6	Very low	1 Å²	1	34 Å²	34	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.4	170.4	-176.5	65.2	0	0	0	110.1	L16 T18 I57 Y69 M71 I79 L203	L16-L77 HydrophobicContact CD2-CD1 4.22Å; L16-L77 HydrophobicContact CD2-CD2 4.13Å; T18-L77 HydrophobicContact CG2-CD1 3.93Å; I57-L77 HydrophobicContact CD1-CD2 3.51Å; I57-L77 HydrophobicContact CG2-CD2 4.41Å; Y69-L77 HydrophobicContact CE1-CD1 4.24Å; M71-L77 HydrophobicContact CE-CB 3.47Å; M71-L77 VanDerWaalsContact CE-CB 3.47Å; M71-L77 HydrophobicContact CE-CD1 3.9Å; M71-L77 HydrophobicContact CE-CD2 3.64Å; M71-L77 HydrophobicContact CE-CG 3.83Å; M71-L77 HydrophobicContact SD-CB 4.22Å; L77-I79 HydrophobicContact CD2-CD1 3.83Å; L77-I79 HydrophobicContact CD2-CG1 3.74Å; L77-I79 HydrophobicContact CG-CD1 4.45Å; L77-I79 HydrophobicContact CG-CG1 3.86Å; L77-L203 HydrophobicContact CB-CB 4.47Å; L77-L203 HydrophobicContact CB-CD1 4.27Å; L77-L203 HydrophobicContact CD2-CD1 4.1Å; L77-L203 HydrophobicContact CG-CD1 4.49Å; L77-L203 PolarHBondContact O-N 3.1Å; L77-L203 VanDerWaalsContact O-N 3.1Å
78	L	53.4	Low	47.1	Very low	12 Å²	12	40.3 Å²	40.3	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.8	167.8	-167.8	67.2	0	0	0	108.5	K17 M19 M80 I200 I201	K17-L78 HydrophobicContact CB-CB 4.28Å; K17-L78 PolarHBondContact N-O 3.34Å; K17-L78 WeakPolarHBondContact O-CB 3.39Å; K17-L78 PolarHBondContact O-N 3.21Å; M19-L78 HydrophobicContact CE-CB 4.33Å; L78-M80 HydrophobicContact CD2-CE 3.67Å; L78-M80 HydrophobicContact CD2-SD 4.2Å; L78-M80 HydrophobicContact CG-CE 4.23Å; L78-M80 HydrophobicContact CG-CG 4.29Å; L78-I200 HydrophobicContact CD1-CG2 3.4Å; L78-I200 HydrophobicContact CG-CG2 4.43Å; L78-I201 WeakPolarHBondContact CA-O 3.48Å
79	I	53.4	Low	45.7	Very low	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.6	172.3	-49.9	-179	0	0	0	107.4	L14 L16 L77 I115 I201 L203	L14-I79 HydrophobicContact CD1-CG2 3.57Å; L16-I79 HydrophobicContact CD2-CB 4.44Å; L16-I79 HydrophobicContact CD2-CD1 4.32Å; L16-I79 HydrophobicContact CD2-CG1 3.84Å; L16-I79 HydrophobicContact CD2-CG2 4.2Å; L77-I79 HydrophobicContact CD2-CD1 3.83Å; L77-I79 HydrophobicContact CD2-CG1 3.74Å; L77-I79 HydrophobicContact CG-CD1 4.45Å; L77-I79 HydrophobicContact CG-CG1 3.86Å; I79-I115 HydrophobicContact CD1-CD1 3.43Å; I79-I115 VanDerWaalsContact CD1-CD1 3.43Å; I79-I115 HydrophobicContact CD1-CG1 4.15Å; I79-I115 HydrophobicContact CD1-CG2 4.48Å; I79-I201 HydrophobicContact CB-CB 4.32Å; I79-I201 PolarHBondContact N-O 2.85Å; I79-I201 PolarHBondContact O-N 2.96Å; I79-L203 HydrophobicContact CD1-CD1 3.92Å
80	M	50.8	Low	44.3	Very low	13 Å²	13	49.9 Å²	49.9	6%	0.064	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.3	175.5	-74.5	-179.2	-74.8	0	0	109.5	L14 L15 L78 W198 G199 I200	L14-M80 CarbonylContact C-O 3.6Å; L14-M80 WeakPolarHBondContact CA-O 3.43Å; L15-M80 HydrophobicContact CB-CB 4.13Å; L15-M80 HydrophobicContact CB-CE 4.45Å; L15-M80 HydrophobicContact CD2-CE 3.26Å; L15-M80 HydrophobicContact CD2-SD 4.43Å; L15-M80 HydrophobicContact CG-CE 3.71Å; L15-M80 PolarHBondContact N-O 2.97Å; L15-M80 PolarHBondContact O-N 3.02Å; L78-M80 HydrophobicContact CD2-CE 3.67Å; L78-M80 HydrophobicContact CD2-SD 4.2Å; L78-M80 HydrophobicContact CG-CE 4.23Å; L78-M80 HydrophobicContact CG-CG 4.29Å; M80-W198 HydrophobicContact CB-CE3 3.82Å; M80-W198 HydrophobicContact CB-CZ3 3.93Å; M80-G199 WeakPolarHBondContact CA-O 3.49Å; M80-I200 HydrophobicContact CG-CG1 4.26Å
81	A	49.5	Very low	43.1	Very low	3 Å²	3	53.4 Å²	53.4	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.4	177.5	0	0	0	0	0	110.4	F13 L14 L111 L113 I172 W198 G199	F13-A81 CarbonylContact O-C 3.37Å; F13-A81 WeakPolarHBondContact O-CA 3.35Å; L14-A81 HydrophobicContact CD1-CB 4.19Å; A81-L111 HydrophobicContact CB-CD2 3.79Å; A81-L113 HydrophobicContact CB-CD1 4.1Å; A81-I172 HydrophobicContact CB-CD1 3.42Å; A81-I172 VanDerWaalsContact CB-CD1 3.42Å; A81-W198 WeakPolarHBondContact O-CA 3.17Å; A81-G199 PolarHBondContact N-O 2.76Å; A81-G199 PolarHBondContact O-N 3.11Å
82	K	45.8	Very low	41.6	Very low	43 Å²	43	59.6 Å²	59.6	19%	0.187	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.2	174	-169.6	-176.1	-168.1	174.2	0	107.8	G12 F13 S196 W198	G12-K82 CarbonylContact C-O 3.59Å; G12-K82 WeakPolarHBondContact CA-O 3.3Å; F13-K82 HydrophobicContact CB-CB 4.26Å; F13-K82 HydrophobicContact CD2-CD 4.08Å; F13-K82 PolarHBondContact N-O 3.04Å; F13-K82 PolarHBondContact O-N 2.84Å; K82-S196 WeakPolarHBondContact CE-OG 3.37Å; K82-W198 HydrophobicContact CB-CD2 4.06Å; K82-W198 HydrophobicContact CB-CE3 3.84Å; K82-W198 HydrophobicContact CB-CH2 3.81Å; K82-W198 HydrophobicContact CB-CZ2 4Å; K82-W198 HydrophobicContact CB-CZ3 3.72Å; K82-W198 HydrophobicContact CD-CH2 4.11Å; K82-W198 HydrophobicContact CD-CZ2 3.65Å; K82-W198 HydrophobicContact CG-CD2 4.42Å; K82-W198 HydrophobicContact CG-CH2 4.44Å; K82-W198 HydrophobicContact CG-CZ2 4.14Å
83	S	43	Very low	40.4	Very low	4 Å²	4	66.5 Å²	66.5	3%	0.028	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	134.1	165.9	-176.6	0	0	0	0	109.5	T174 S196	S83-T174 PolarHBondContact OG-OG1 3.3Å; S83-S196 WeakPolarHBondContact O-CB 3.47Å
84	I	37	Very low	39.4	Very low	48 Å²	48	72.5 Å²	72.5	25%	0.246	38%	0.382	C	S	.	.			trans	-91.3	108.5	165.9	-58.3	168.1	0	0	0	105.7	N11 F13 T86	N11-I84 WeakPolarHBondContact O-CA 3.48Å; N11-I84 WeakPolarHBondContact O-CB 3.49Å; N11-I84 PolarHBondContact O-N 3.46Å; F13-I84 HydrophobicContact CD2-CD1 4.19Å; F13-I84 HydrophobicContact CD2-CG1 4.38Å; F13-I84 HydrophobicContact CE2-CD1 3.63Å; F13-I84 HydrophobicContact CE2-CG1 4.15Å; F13-I84 HydrophobicContact CZ-CD1 4.32Å; I84-T86 VanDerWaalsContact C-N 3.35Å; I84-T86 HydrophobicContact CG2-CG2 4.46Å; I84-T86 PolarHBondContact O-N 2.89Å
85	C	35.6	Very low	38.5	Very low	25 Å²	25	73.3 Å²	73.3	17%	0.169	40%	0.395	C	S	.	.			trans	-64.2	102.7	156.7	-89.2	0	0	0	0	107.6	N87 T174 T194	C85-N87 VanDerWaalsContact C-N 3.34Å; C85-N87 PolarHBondContact O-N 2.97Å; C85-N87 VanDerWaalsContact O-N 3.13Å; C85-T174 HydrophobicContact CB-CG2 4.33Å; C85-T174 WeakPolarHBondContact SG-CB 3.5Å; C85-T174 WeakPolarHBondContact SG-CG2 3.25Å; C85-T194 HydrophobicContact CB-CG2 3.96Å
86	T	31.4	Very low	37.6	Very low	81 Å²	81	79.8 Å²	79.8	50%	0.497	42%	0.424	S	S	.	.			trans	-67.4	106.6	149.8	46.5	0	0	0	0	105	I84 L88	I84-T86 VanDerWaalsContact C-N 3.35Å; I84-T86 HydrophobicContact CG2-CG2 4.46Å; I84-T86 PolarHBondContact O-N 2.89Å; T86-L88 PolarHBondContact O-N 2.96Å
87	N	28.8	Very low	36.6	Very low	98 Å²	98	84.2 Å²	84.2	52%	0.524	45%	0.449	S	S	.	.			trans	-60.4	96.4	153.8	-72.5	-22.6	0	0	0	103.9	C85 M89	C85-N87 VanDerWaalsContact C-N 3.34Å; C85-N87 PolarHBondContact O-N 2.97Å; C85-N87 VanDerWaalsContact O-N 3.13Å; N87-M89 PolarHBondContact O-N 2.71Å
88	L	24.9	Very low	35.4	Very low	144 Å²	144	91.6 Å²	91.6	75%	0.754	49%	0.489	S	S	*	.			trans	-54.8	97.3	154.5	-85.9	153.2	0	0	0	103.9	T86 P90	T86-L88 PolarHBondContact O-N 2.96Å; L88-P90 WeakPolarHBondContact O-CD 3.42Å
89	M	24.6	Very low	34.4	Very low	157 Å²	157	99.7 Å²	99.7	77%	0.773	53%	0.526	S	S	*	.			trans	-57.4	124.6	165.6	-73.1	-161.2	95.4	0	0	104.6	N87 D91	N87-M89 PolarHBondContact O-N 2.71Å; M89-D91 PolarHBondContact O-N 3.15Å
90	P	28.1	Very low	33.1	Very low	108 Å²	108	106.8 Å²	106.8	70%	0.701	56%	0.564	S	S	*	*			trans	-58.7	119.6	164.9	23.8	-28.7	0	0	0	105.8	L88 N92	L88-P90 WeakPolarHBondContact O-CD 3.42Å; P90-N92 PolarHBondContact O-N 3.22Å
91	D	27.1	Very low	32.2	Very low	148 Å²	148	113.2 Å²	113.2	79%	0.791	60%	0.599	S	S	*	*			trans	-52.5	114.6	168.6	-79	-35.6	0	0	0	106.4	M89 N93	M89-D91 PolarHBondContact O-N 3.15Å; D91-N93 PolarHBondContact O-N 3.43Å
92	N	27.2	Very low	31.1	Very low	143 Å²	143	120.3 Å²	120.3	77%	0.765	64%	0.637	S	S	*	*			trans	-68.9	68.9	171.9	-88	-19.8	0	0	0	108.3	P90 N94	P90-N92 PolarHBondContact O-N 3.22Å; N92-N94 VanDerWaalsContact C-N 3.34Å; N92-N94 PolarHBondContact O-N 3.45Å
93	N	29.5	Very low	30.2	Very low	149 Å²	149	124.8 Å²	124.8	80%	0.797	66%	0.662	S	S	*	*			trans	-89	90	155.6	-78.2	-11.6	0	0	0	106.3	D91 D95	D91-N93 PolarHBondContact O-N 3.43Å; N93-D95 PolarHBondContact O-N 2.8Å
94	N	30.8	Very low	29.5	Very low	144 Å²	144	132.3 Å²	132.3	77%	0.77	70%	0.702	S	S	*	*			trans	-50.5	106	154.7	-76.3	-33	0	0	0	107.5	N92	N92-N94 VanDerWaalsContact C-N 3.34Å; N92-N94 PolarHBondContact O-N 3.45Å
95	D	30.9	Very low	29	Very low	150 Å²	150	136 Å²	136	80%	0.802	72%	0.723	S	S	*	*			trans	-152.9	114.8	147.2	-90.2	-34.4	0	0	0	109.7	N93	N93-D95 PolarHBondContact O-N 2.8Å
96	H	33.4	Very low	28.8	Very low	161 Å²	161	139 Å²	139	75%	0.745	74%	0.744	S	S	*	*			trans	19.4	129.2	154.2	-78.1	-63.1	0	0	0	121.3
97	N	30.4	Very low	28.6	Very low	134 Å²	134	139.7 Å²	139.7	72%	0.717	75%	0.752	S	S	*	*			trans	63.4	92.4	143.4	-60.1	-12.2	0	0	0	117.1
98	N	28.4	Very low	28.9	Very low	156 Å²	156	139.2 Å²	139.2	83%	0.834	75%	0.748	S	S	*	*				179.5	135.5	104.5	-100.7	-27.4	0	0	0	111	N100	N98-N100 PolarHBondContact O-N 3.13Å
99	Q	30.8	Very low	29.3	Very low	182 Å²	182	134.5 Å²	134.5	85%	0.85	73%	0.726	S	S	*	*			trans	-53.8	118.4	153.2	-71.5	162.8	-71.5	0	0	108.3
100	N	26.9	Very low	29.9	Very low	151 Å²	151	130.7 Å²	130.7	81%	0.807	71%	0.708	S	S	*	*			trans	-167	138.7	139.6	-101.4	-14.3	0	0	0	110.2	N98 N102	N98-N100 PolarHBondContact O-N 3.13Å; N100-N102 PolarHBondContact O-N 2.79Å
101	D	31.6	Very low	30.6	Very low	149 Å²	149	126.2 Å²	126.2	80%	0.797	68%	0.678	S	S	*	*			trans	-35.9	124.7	178.5	-57.5	-53.8	0	0	0	113.2
102	N	27.2	Very low	31.3	Very low	152 Å²	152	121.8 Å²	121.8	81%	0.813	66%	0.656	S	S	*	*			trans	-150.6	121.9	146.8	-96.7	-38.1	0	0	0	109.1	N100 N104	N100-N102 PolarHBondContact O-N 2.79Å; N102-N104 PolarHBondContact O-N 3.21Å
103	N	27.2	Very low	32.1	Very low	136 Å²	136	115 Å²	115	73%	0.727	62%	0.62	S	S	*	*			trans	-30.8	107.2	163.8	-70.9	-42.2	0	0	0	109.6	N105	N103-N105 PolarHBondContact O-N 2.89Å
104	N	28.3	Very low	32.8	Very low	162 Å²	162	109.2 Å²	109.2	87%	0.866	59%	0.591	S	S	*	*			trans	-65.8	73.2	154.2	-79	-24	0	0	0	105.8	N102 S106	N102-N104 PolarHBondContact O-N 3.21Å; N104-S106 PolarHBondContact O-N 2.83Å
105	N	25.9	Very low	33.5	Very low	126 Å²	126	102.4 Å²	102.4	67%	0.674	56%	0.555	S	S	*	*			trans	-60.4	81.7	154.9	-77.1	-14	0	0	0	103.8	N103 S107	N103-N105 PolarHBondContact O-N 2.89Å; N105-S107 PolarHBondContact O-N 3.14Å
106	S	30.9	Very low	34.1	Very low	88 Å²	88	96.1 Å²	96.1	62%	0.615	52%	0.521	S	S	*	.			trans	-47.4	107	155.6	52.9	0	0	0	0	103.5	N104 I108	N104-S106 PolarHBondContact O-N 2.83Å; S106-I108 VanDerWaalsContact C-N 3.26Å; S106-I108 PolarHBondContact O-N 2.96Å
107	S	28.7	Very low	34.5	Very low	95 Å²	95	91.1 Å²	91.1	66%	0.664	50%	0.504	S	S	*	.			trans	-60.2	99.4	-174.2	-50.6	0	0	0	0	105.7	N105 T109	N105-S107 PolarHBondContact O-N 3.14Å; S107-T109 VanDerWaalsContact C-N 3.3Å; S107-T109 PolarHBondContact O-N 2.83Å; S107-T109 PolarHBondContact O-OG1 2.91Å
108	I	33.6	Very low	35	Very low	88 Å²	88	85.4 Å²	85.4	45%	0.451	48%	0.477	S	S	.	.			trans	-65	104.2	176.7	-60.9	169.9	0	0	0	102.9	S106 I110 Q173	S106-I108 VanDerWaalsContact C-N 3.26Å; S106-I108 PolarHBondContact O-N 2.96Å; I108-I110 HydrophobicContact CB-CG1 4.24Å; I108-I110 HydrophobicContact CG2-CD1 4.37Å; I108-I110 HydrophobicContact CG2-CG1 3.55Å; I108-I110 PolarHBondContact O-N 2.8Å; I108-Q173 HydrophobicContact CG2-CG 4.25Å
109	T	33.6	Very low	35.6	Very low	45 Å²	45	81.5 Å²	81.5	28%	0.276	45%	0.453	S	S	.	.			trans	-74.9	85.2	174	-12.1	0	0	0	0	105.8	S107 L111	S107-T109 VanDerWaalsContact C-N 3.3Å; S107-T109 PolarHBondContact O-N 2.83Å; S107-T109 PolarHBondContact O-OG1 2.91Å; T109-L111 PolarHBondContact O-N 2.74Å
110	I	38.3	Very low	35.9	Very low	77 Å²	77	76.4 Å²	76.4	40%	0.395	43%	0.431	S	S	.	.			trans	-72.3	109.5	176.1	-58.9	177.1	0	0	0	106.2	I108 V112 N171	I108-I110 HydrophobicContact CB-CG1 4.24Å; I108-I110 HydrophobicContact CG2-CD1 4.37Å; I108-I110 HydrophobicContact CG2-CG1 3.55Å; I108-I110 PolarHBondContact O-N 2.8Å; I110-V112 VanDerWaalsContact C-N 3.31Å; I110-V112 HydrophobicContact CB-CG2 4.41Å; I110-V112 HydrophobicContact CG2-CG2 3.56Å; I110-V112 PolarHBondContact O-N 2.89Å; I110-N171 HydrophobicContact CG2-CB 4.47Å
111	L	41	Very low	36.2	Very low	15 Å²	15	72.6 Å²	72.6	8%	0.079	42%	0.416	C	S	.	.			trans	-77.1	86.9	170.4	-173.5	75.9	0	0	0	109.4	L9 N61 A81 T109 L113 I170 I172	L9-L111 HydrophobicContact CD1-CD1 3.45Å; L9-L111 VanDerWaalsContact CD1-CD1 3.45Å; L9-L111 HydrophobicContact CD1-CD2 3.76Å; L9-L111 HydrophobicContact CD1-CG 4.25Å; N61-L111 WeakPolarHBondContact ND2-CD1 3.37Å; A81-L111 HydrophobicContact CB-CD2 3.79Å; T109-L111 PolarHBondContact O-N 2.74Å; L111-L113 HydrophobicContact CD2-CD1 3.52Å; L111-L113 HydrophobicContact CD2-CG 4.29Å; L111-L113 HydrophobicContact CG-CD1 3.97Å; L111-L113 HydrophobicContact CG-CG 4.28Å; L111-L113 PolarHBondContact O-N 2.78Å; L111-I170 CarbonylContact C-O 3.6Å; L111-I172 HydrophobicContact CB-CB 4.47Å; L111-I172 HydrophobicContact CB-CD1 4.07Å; L111-I172 HydrophobicContact CB-CG1 4.32Å; L111-I172 HydrophobicContact CD2-CD1 3.81Å
112	V	42.4	Very low	36.1	Very low	55 Å²	55	69 Å²	69	33%	0.333	40%	0.397	S	S	.	.			trans	-77.2	107.2	171.4	-173.5	0	0	0	0	108.5	N61 I110	N61-V112 PolarHBondContact ND2-O 2.87Å; I110-V112 VanDerWaalsContact C-N 3.31Å; I110-V112 HydrophobicContact CB-CG2 4.41Å; I110-V112 HydrophobicContact CG2-CG2 3.56Å; I110-V112 PolarHBondContact O-N 2.89Å
113	L	44.3	Very low	36.2	Very low	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.369	C	S	.	.			trans	-97.6	128	165.3	-76.5	138.4	0	0	0	107.4	L14 I59 H60 A81 L111 I168 I170	L14-L113 HydrophobicContact CD1-CD1 3.87Å; L14-L113 HydrophobicContact CD1-CD2 3.89Å; L14-L113 HydrophobicContact CD2-CD2 3.93Å; I59-L113 HydrophobicContact CG2-CD2 3.34Å; H60-L113 WeakPolarHBondContact O-CA 3.41Å; A81-L113 HydrophobicContact CB-CD1 4.1Å; L111-L113 HydrophobicContact CD2-CD1 3.52Å; L111-L113 HydrophobicContact CD2-CG 4.29Å; L111-L113 HydrophobicContact CG-CD1 3.97Å; L111-L113 HydrophobicContact CG-CG 4.28Å; L111-L113 PolarHBondContact O-N 2.78Å; L113-I168 CarbonylContact C-O 3.6Å; L113-I170 HydrophobicContact CB-CD1 3.93Å; L113-I170 HydrophobicContact CB-CG1 4.41Å; L113-I170 HydrophobicContact CD1-CD1 3.82Å
114	S	43.9	Very low	36.1	Very low	27 Å²	27	63.4 Å²	63.4	19%	0.189	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.1	164	171	0	0	0	0	108.5	I59 H60 I168	I59-S114 WeakPolarHBondContact CA-O 3.45Å; H60-S114 PolarHBondContact N-O 3.3Å; H60-S114 PolarHBondContact O-N 3.36Å; S114-I168 WeakPolarHBondContact CA-O 3.47Å
115	I	45.3	Very low	35.9	Very low	2 Å²	2	64.6 Å²	64.6	1%	0.01	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.2	178.7	-58.6	157.7	0	0	0	107.9	I57 L58 I59 I79 I168 I170 I201	I57-I115 HydrophobicContact CG2-CG2 3.6Å; L58-I115 WeakPolarHBondContact O-CA 3.34Å; I59-I115 HydrophobicContact CG1-CG1 4.47Å; I79-I115 HydrophobicContact CD1-CD1 3.43Å; I79-I115 VanDerWaalsContact CD1-CD1 3.43Å; I79-I115 HydrophobicContact CD1-CG1 4.15Å; I79-I115 HydrophobicContact CD1-CG2 4.48Å; I115-I168 HydrophobicContact CB-CB 4.31Å; I115-I168 HydrophobicContact CB-CD1 4.43Å; I115-I168 HydrophobicContact CD1-CB 4.41Å; I115-I168 HydrophobicContact CD1-CG2 4.26Å; I115-I170 HydrophobicContact CD1-CD1 4.27Å; I115-I201 HydrophobicContact CD1-CD1 4.46Å
116	T	43.9	Very low	35.7	Very low	17 Å²	17	62.6 Å²	62.6	10%	0.104	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.1	173.1	-50.2	0	0	0	0	109.6	I57 L58 N165	I57-T116 CarbonylContact C-O 3.59Å; I57-T116 WeakPolarHBondContact CA-O 3.44Å; L58-T116 PolarHBondContact N-O 2.93Å; L58-T116 PolarHBondContact O-N 3.18Å; T116-N165 HydrophobicContact CG2-CB 4.45Å
117	C	41.7	Very low	35.3	Very low	57 Å²	57	65.4 Å²	65.4	39%	0.385	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.1	176.6	-61.8	0	0	0	0	109.8
118	G	41	Very low	35	Very low	14 Å²	14	63.6 Å²	63.6	14%	0.144	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157.8	174.9	0	0	0	0	0	113.2	Y55 T56 F123	Y55-G118 WeakPolarHBondContact CA-O 3.43Å; T56-G118 PolarHBondContact N-O 3.1Å; T56-G118 PolarHBondContact O-N 3.4Å; G118-F123 VanDerWaalsContact CA-CE2 3.46Å; G118-F123 WeakPolarHBondContact O-CE2 3.33Å
119	K	41	Very low	34.4	Very low	74 Å²	74	65.2 Å²	65.2	32%	0.322	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137.4	172.6	-163.2	170.8	-176	165.5	0	108.7	E53 S121 N122	E53-K119 VanDerWaalsContact CD-CE 3.44Å; E53-K119 IonicContact OE1-NZ 2.68Å; E53-K119 PolarHBondContact OE1-NZ 3.08Å; E53-K119 WeakPolarHBondContact OE2-CE 3.39Å; E53-K119 IonicContact OE2-NZ 3.07Å; E53-K119 PolarHBondContact OE2-NZ 2.96Å; E53-K119 VanDerWaalsContact OE2-NZ 3.07Å; K119-S121 PolarHBondContact O-N 3.06Å; K119-N122 WeakPolarHBondContact O-CB 2.95Å; K119-N122 PolarHBondContact O-N 2.84Å
120	L	36.5	Very low	33.7	Very low	75 Å²	75	69 Å²	69	39%	0.393	38%	0.378	S	S	.	.	H	α-helix	trans	-52.1	-32.7	-177.4	-167.6	76.1	0	0	0	112.9	R54 T56 N122 F123 T124	R54-L120 HydrophobicContact CB-CB 4.19Å; R54-L120 HydrophobicContact CB-CD2 4.43Å; R54-L120 PolarHBondContact O-N 3.22Å; T56-L120 WeakPolarHBondContact OG1-CD1 3.32Å; L120-N122 PolarHBondContact O-N 3.3Å; L120-N122 VanDerWaalsContact O-N 3.09Å; L120-F123 PolarHBondContact O-N 3.37Å; L120-F123 VanDerWaalsContact O-N 3.12Å; L120-T124 PolarHBondContact O-N 3.19Å
121	S	33.2	Very low	32.9	Very low	71 Å²	71	70.7 Å²	70.7	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-55.8	-24.9	175.1	57.4	0	0	0	0	114.4	K119 T124	K119-S121 PolarHBondContact O-N 3.06Å; S121-T124 PolarHBondContact O-OG1 2.83Å
122	N	31	Very low	32	Very low	74 Å²	74	76 Å²	76	40%	0.396	42%	0.416	S	S	.	.	H	α-helix	trans	-90.6	-22.4	-177.6	-63.1	1	0	0	0	112.3	K119 L120	K119-N122 WeakPolarHBondContact O-CB 2.95Å; K119-N122 PolarHBondContact O-N 2.84Å; L120-N122 PolarHBondContact O-N 3.3Å; L120-N122 VanDerWaalsContact O-N 3.09Å
123	F	28.6	Very low	30.9	Very low	53 Å²	53	82.9 Å²	82.9	23%	0.232	44%	0.435	C	S	.	.	H	α-helix	trans	-85.8	-26.8	-178.6	-73.9	-75.1	0	0	0	113.1	T56 G118 L120 K125 H126	T56-F123 HydrophobicContact CG2-CD2 4.49Å; T56-F123 HydrophobicContact CG2-CE2 4.48Å; G118-F123 VanDerWaalsContact CA-CE2 3.46Å; G118-F123 WeakPolarHBondContact O-CE2 3.33Å; L120-F123 PolarHBondContact O-N 3.37Å; L120-F123 VanDerWaalsContact O-N 3.12Å; F123-K125 PolarHBondContact O-N 3.49Å; F123-H126 CarbonylContact O-C 3.55Å; F123-H126 PolarHBondContact O-N 2.78Å
124	T	25.5	Very low	29.8	Very low	117 Å²	117	88.2 Å²	88.2	72%	0.718	46%	0.464	S	S	*	.	S	Bend	trans	-67	-15.7	176.4	46.4	0	0	0	0	113.9	L120 S121	L120-T124 PolarHBondContact O-N 3.19Å; S121-T124 PolarHBondContact O-OG1 2.83Å
125	K	23.5	Very low	28.8	Very low	186 Å²	186	92.9 Å²	92.9	81%	0.809	49%	0.486	S	S	*	.	S	Bend	trans	-105.2	-14.1	175.5	-90.2	-174.7	175.9	-178.5	0	114.4	F123	F123-K125 PolarHBondContact O-N 3.49Å
126	H	22.9	Very low	27.6	Very low	85 Å²	85	99.3 Å²	99.3	39%	0.394	52%	0.52	S	S	.	.			trans	-119.8	98.9	-179.3	-66.1	-38.5	0	0	0	108.4	F123	F123-H126 CarbonylContact O-C 3.55Å; F123-H126 PolarHBondContact O-N 2.78Å
127	N	21.1	Very low	26.5	Very low	147 Å²	147	105 Å²	105	79%	0.786	56%	0.555	S	S	*	*			trans	-44.7	127.7	151.6	-86.4	-19.6	0	0	0	106.8	V129	N127-V129 PolarHBondContact O-N 2.59Å
128	P	23.3	Very low	25.5	Very low	56 Å²	56	106.9 Å²	106.9	36%	0.364	57%	0.568	S	S	.	*			trans	-56.4	107.2	-179.9	21.4	-30.8	0	0	0	107.8	L58 L130	L58-P128 HydrophobicContact CD2-CB 4.32Å; P128-L130 PolarHBondContact O-N 3.34Å
129	V	19.9	Very low	24.5	Very low	123 Å²	123	111.8 Å²	111.8	75%	0.745	60%	0.596	S	S	*	*			trans	-65.7	108.3	171.5	175.7	0	0	0	0	104.9	N127 I131	N127-V129 PolarHBondContact O-N 2.59Å; V129-I131 VanDerWaalsContact C-N 3.33Å; V129-I131 PolarHBondContact O-N 2.79Å
130	L	20.7	Very low	23.6	Very low	125 Å²	125	114.8 Å²	114.8	65%	0.654	62%	0.615	S	S	*	*			trans	-50.5	98.1	166.4	-92.8	131.2	0	0	0	108.3	P128 N132	P128-L130 PolarHBondContact O-N 3.34Å; L130-N132 PolarHBondContact O-N 2.85Å
131	I	20.7	Very low	22.9	Very low	111 Å²	111	118.5 Å²	118.5	57%	0.569	64%	0.636	S	S	*	*			trans	-79.9	78.8	159.8	-55.1	179.3	0	0	0	105.3	V129 R133	V129-I131 VanDerWaalsContact C-N 3.33Å; V129-I131 PolarHBondContact O-N 2.79Å; I131-R133 HydrophobicContact CG2-CB 4.18Å; I131-R133 HydrophobicContact CG2-CG 3.87Å; I131-R133 PolarHBondContact O-N 2.92Å
132	N	20.9	Very low	22.6	Very low	128 Å²	128	122.7 Å²	122.7	68%	0.684	65%	0.652	S	S	*	*			trans	-74.1	74.3	164.8	-163.5	8.7	0	0	0	107.4	L130 N134	L130-N132 PolarHBondContact O-N 2.85Å; N132-N134 PolarHBondContact O-N 2.87Å
133	R	20.3	Very low	22.1	Very low	198 Å²	198	127.5 Å²	127.5	75%	0.747	67%	0.67	S	S	*	*			trans	-80.4	77.7	166.1	-96	-176.4	-179	166.9	2.5	107.5	I131 I135	I131-R133 HydrophobicContact CG2-CB 4.18Å; I131-R133 HydrophobicContact CG2-CG 3.87Å; I131-R133 PolarHBondContact O-N 2.92Å; R133-I135 HydrophobicContact CB-CD1 4.45Å; R133-I135 HydrophobicContact CB-CG1 4.24Å; R133-I135 HydrophobicContact CG-CD1 4.41Å; R133-I135 HydrophobicContact CG-CG1 4.46Å; R133-I135 PolarHBondContact O-N 3.38Å
134	N	21.9	Very low	21.8	Very low	113 Å²	113	131.4 Å²	131.4	60%	0.604	69%	0.693	S	S	*	*			trans	-67.3	74.6	161.8	-158	9.2	0	0	0	107.7	N132 N136	N132-N134 PolarHBondContact O-N 2.87Å; N134-N136 PolarHBondContact O-N 2.84Å
135	I	21.3	Very low	21.8	Very low	125 Å²	125	133.3 Å²	133.3	64%	0.641	70%	0.699	S	S	*	*			trans	-91.4	69.8	168.6	-54.1	176.5	0	0	0	106.6	R133	R133-I135 HydrophobicContact CB-CD1 4.45Å; R133-I135 HydrophobicContact CB-CG1 4.24Å; R133-I135 HydrophobicContact CG-CD1 4.41Å; R133-I135 HydrophobicContact CG-CG1 4.46Å; R133-I135 PolarHBondContact O-N 3.38Å
136	N	22	Very low	21.6	Very low	137 Å²	137	131.3 Å²	131.3	73%	0.733	70%	0.702	S	S	*	*			trans	-132.4	56.5	153.9	-88.5	-23	0	0	0	107.5	N134 S138	N134-N136 PolarHBondContact O-N 2.84Å; N136-S138 PolarHBondContact O-N 2.79Å
137	T	20	Very low	21.5	Very low	136 Å²	136	133.2 Å²	133.2	83%	0.834	72%	0.721	S	S	*	*			trans	-78.1	69.3	155.1	52.2	0	0	0	0	108.2
138	S	20.1	Very low	21.4	Very low	96 Å²	96	132.8 Å²	132.8	67%	0.671	72%	0.723	S	S	*	*			trans	-108.9	89.4	154.1	177.8	0	0	0	0	106.2	N136	N136-S138 PolarHBondContact O-N 2.79Å
139	T	20.3	Very low	21.6	Very low	117 Å²	117	135.1 Å²	135.1	72%	0.718	74%	0.739	S	S	*	*			trans	177.2	125.6	131	26	0	0	0	0	111.8
140	N	22.1	Very low	21.5	Very low	137 Å²	137	134.8 Å²	134.8	73%	0.733	74%	0.737	S	S	*	*			trans	74.5	101.3	143.8	-64.5	-13.9	0	0	0	120.4	N142	N140-N142 PolarHBondContact O-N 2.83Å
141	N	22.9	Very low	21.5	Very low	154 Å²	154	136.3 Å²	136.3	82%	0.824	75%	0.746	S	S	*	*				28.7	92.1	112.2	-72.8	-13.5	0	0	0	115.4
142	N	25.1	Very low	21.6	Very low	158 Å²	158	138.5 Å²	138.5	85%	0.845	76%	0.757	S	S	*	*			trans	-149.5	108.2	135	-109.7	-19.8	0	0	0	111.2	N140	N140-N142 PolarHBondContact O-N 2.83Å
143	K	21.5	Very low	21.5	Very low	175 Å²	175	137.7 Å²	137.7	76%	0.761	76%	0.761	S	S	*	*			trans	11.3	127.8	145.6	-99.1	169.1	171.4	171.7	0	117.8
144	N	22.5	Very low	21.6	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	76%	0.757	S	S	*	*			trans	51.8	97.8	137.6	-59.9	-1.8	0	0	0	116.3
145	N	24.7	Very low	21.5	Very low	157 Å²	157	132.9 Å²	132.9	84%	0.84	76%	0.762	S	S	*	*			trans	-157.4	104.4	133.1	-91.4	-23.5	0	0	0	110	T147	N145-T147 PolarHBondContact O-N 2.83Å
146	T	18.7	Very low	21.5	Very low	143 Å²	143	134.6 Å²	134.6	88%	0.877	77%	0.773	S	S	*	*			trans	-49.1	113.3	158.7	23.6	0	0	0	0	110.5
147	T	21.4	Very low	21.6	Very low	126 Å²	126	136.7 Å²	136.7	77%	0.773	78%	0.777	S	S	*	*			trans	-142.9	91.6	156.4	36.7	0	0	0	0	109.3	N145	N145-T147 PolarHBondContact O-N 2.83Å
148	T	19.1	Very low	21.6	Very low	138 Å²	138	136.2 Å²	136.2	85%	0.847	77%	0.774	S	S	*	*			trans	-60.7	135.1	138	32	0	0	0	0	106.9
149	P	27.6	Very low	21.6	Very low	105 Å²	105	142.1 Å²	142.1	68%	0.682	79%	0.788	S	S	*	*				-156.7	166.5	78.3	42.4	-22.3	0	0	0	118.3
150	T	18.2	Very low	21.8	Very low	115 Å²	115	140.1 Å²	140.1	71%	0.706	78%	0.779	S	S	*	*			trans	67.6	104.6	139.7	36.4	0	0	0	0	121.8	I152	T150-I152 PolarHBondContact O-N 2.86Å
151	N	21.3	Very low	21.8	Very low	158 Å²	158	138.7 Å²	138.7	85%	0.845	78%	0.78	S	S	*	*				16.6	99.6	117.6	-81.4	-10.7	0	0	0	115.7
152	I	22.7	Very low	21.8	Very low	157 Å²	157	137.6 Å²	137.6	81%	0.805	77%	0.774	S	S	*	*			trans	-98.7	96.9	149.3	-57.4	174.9	0	0	0	106.2	T150	T150-I152 PolarHBondContact O-N 2.86Å
153	S	18.3	Very low	21.8	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	75%	0.747	S	S	*	*			trans	-67.9	124.4	159.9	53.8	0	0	0	0	109.2
154	S	21.8	Very low	21.9	Very low	94 Å²	94	129 Å²	129	66%	0.657	74%	0.738	S	S	*	*			trans	-164.4	107.5	143.9	36.1	0	0	0	0	111.6
155	T	20.5	Very low	22.1	Very low	117 Å²	117	126.5 Å²	126.5	72%	0.718	73%	0.725	S	S	*	*			trans	62.7	97.1	133.7	52.6	0	0	0	0	119.1	H157	T155-H157 PolarHBondContact O-N 3.04Å
156	N	20.7	Very low	22.2	Very low	161 Å²	161	120 Å²	120	86%	0.861	69%	0.691	S	S	*	*				29.5	85.6	119.8	-65.9	-13.2	0	0	0	116.3
157	H	23.6	Very low	22.6	Very low	180 Å²	180	115.7 Å²	115.7	83%	0.833	66%	0.664	S	S	*	*			trans	-114.5	116	142.4	-85.4	-66.8	0	0	0	108.8	T155	T155-H157 PolarHBondContact O-N 3.04Å
158	T	20.6	Very low	23	Very low	126 Å²	126	110.1 Å²	110.1	77%	0.773	63%	0.629	S	S	*	*			trans	-2.7	125.9	155.2	23.6	0	0	0	0	114.5	S160	T158-S160 PolarHBondContact O-N 3.3Å
159	K	20.8	Very low	23.3	Very low	221 Å²	221	105.6 Å²	105.6	96%	0.961	60%	0.604	S	S	*	*			trans	-47.4	78.5	171.4	-72	176.8	177.3	176.7	0	111.4	S161	K159-S161 PolarHBondContact O-N 2.78Å
160	S	23.2	Very low	23.4	Very low	75 Å²	75	101 Å²	101	52%	0.524	57%	0.573	S	S	.	*			trans	-63.5	112.2	154.8	170.5	0	0	0	0	103.6	T158 N162	T158-S160 PolarHBondContact O-N 3.3Å; S160-N162 VanDerWaalsContact C-N 3.28Å; S160-N162 PolarHBondContact O-N 3.22Å
161	S	21.8	Very low	23.8	Very low	107 Å²	107	97.4 Å²	97.4	75%	0.748	55%	0.55	S	S	*	.			trans	-49	102.9	165.6	50.2	0	0	0	0	106.4	K159 P163	K159-S161 PolarHBondContact O-N 2.78Å; S161-P163 VanDerWaalsContact O-N 3.1Å
162	N	23	Very low	24	Very low	130 Å²	130	90 Å²	90	70%	0.695	51%	0.51	S	S	*	.			trans	-47.7	125.9	171.8	-77.5	-20.5	0	0	0	105.3	S160 L164	S160-N162 VanDerWaalsContact C-N 3.28Å; S160-N162 PolarHBondContact O-N 3.22Å; N162-L164 PolarHBondContact O-N 2.81Å
163	P	25	Very low	24.1	Very low	44 Å²	44	85.1 Å²	85.1	29%	0.286	48%	0.484	S	S	.	.			trans	-51.6	117.8	165.7	22.5	-29.9	0	0	0	104.6	S161 N165	S161-P163 VanDerWaalsContact O-N 3.1Å; P163-N165 PolarHBondContact O-N 3.01Å; P163-N165 PolarHBondContact O-OD1 2.61Å
164	L	25.1	Very low	24.4	Very low	109 Å²	109	81.4 Å²	81.4	57%	0.571	46%	0.457	S	S	*	.			trans	-65.6	94.9	178.4	-96.1	104.3	0	0	0	105.3	N162 T166 H210	N162-L164 PolarHBondContact O-N 2.81Å; L164-T166 PolarHBondContact O-N 2.94Å; L164-H210 WeakPolarHBondContact CB-ND1 3.02Å; L164-H210 WeakPolarHBondContact CD1-CE1 3.39Å; L164-H210 WeakPolarHBondContact CD1-ND1 3.42Å; L164-H210 HydrophobicContact CD2-CB 4.42Å; L164-H210 VanDerWaalsContact CD2-ND1 3.25Å; L164-H210 WeakPolarHBondContact CD2-ND1 3.35Å; L164-H210 VanDerWaalsContact CG-ND1 3.34Å; L164-H210 WeakPolarHBondContact CG-ND1 3.12Å
165	N	26.7	Very low	24.4	Very low	84 Å²	84	80 Å²	80	45%	0.449	44%	0.441	S	S	.	.			trans	-68.9	87.4	176.2	-70.7	-11	0	0	0	106.3	T116 P163 T167	T116-N165 HydrophobicContact CG2-CB 4.45Å; P163-N165 PolarHBondContact O-N 3.01Å; P163-N165 PolarHBondContact O-OD1 2.61Å; N165-T167 PolarHBondContact O-N 3.32Å; N165-T167 VanDerWaalsContact O-N 3.09Å
166	T	26.4	Very low	24.4	Very low	21 Å²	21	78 Å²	78	13%	0.129	43%	0.432	C	S	.	.			trans	-64.9	110.6	168.7	-48.2	0	0	0	0	106.9	L164 I168 I209 S211	L164-T166 PolarHBondContact O-N 2.94Å; T166-I168 HydrophobicContact CG2-CG1 4.4Å; T166-I168 PolarHBondContact O-N 2.81Å; T166-I209 HydrophobicContact CG2-CG2 4.44Å; T166-I209 PolarHBondContact OG1-O 2.78Å; T166-S211 WeakPolarHBondContact CG2-O 3.41Å
167	T	26.3	Very low	24.5	Very low	52 Å²	52	76.5 Å²	76.5	32%	0.319	42%	0.417	S	S	.	.			trans	-94.9	96.6	176.7	-57.7	0	0	0	0	106.7	N165 S169	N165-T167 PolarHBondContact O-N 3.32Å; N165-T167 VanDerWaalsContact O-N 3.09Å; T167-S169 PolarHBondContact O-N 3.06Å
168	I	29.7	Very low	24.3	Very low	8 Å²	8	73.6 Å²	73.6	4%	0.041	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.4	170.2	-58.4	-176.7	0	0	0	106.1	L113 S114 I115 T166 I170 L203 I213	L113-I168 CarbonylContact C-O 3.6Å; S114-I168 WeakPolarHBondContact CA-O 3.47Å; I115-I168 HydrophobicContact CB-CB 4.31Å; I115-I168 HydrophobicContact CB-CD1 4.43Å; I115-I168 HydrophobicContact CD1-CB 4.41Å; I115-I168 HydrophobicContact CD1-CG2 4.26Å; T166-I168 HydrophobicContact CG2-CG1 4.4Å; T166-I168 PolarHBondContact O-N 2.81Å; I168-I170 HydrophobicContact CG2-CG1 4.15Å; I168-L203 HydrophobicContact CD1-CD2 4.22Å; I168-I213 HydrophobicContact CD1-CB 4.12Å; I168-I213 HydrophobicContact CD1-CD1 4Å; I168-I213 HydrophobicContact CD1-CG1 4.37Å; I168-I213 HydrophobicContact CG1-CB 3.97Å; I168-I213 HydrophobicContact CG1-CG1 4.5Å; I168-I213 HydrophobicContact CG2-CB 4.11Å; I168-I213 HydrophobicContact CG2-CG2 4.39Å; I168-I213 VanDerWaalsContact CG2-O 3.23Å; I168-I213 WeakPolarHBondContact CG2-O 3.18Å
169	S	26.1	Very low	24.4	Very low	44 Å²	44	74.1 Å²	74.1	31%	0.308	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.2	171.8	-69.3	0	0	0	0	108.4	T167	T167-S169 PolarHBondContact O-N 3.06Å
170	I	28.6	Very low	24.3	Very low	7 Å²	7	71.4 Å²	71.4	4%	0.036	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.6	177.3	-51.6	172.3	0	0	0	108.4	L111 L113 I115 I168 I172 I201	L111-I170 CarbonylContact C-O 3.6Å; L113-I170 HydrophobicContact CB-CD1 3.93Å; L113-I170 HydrophobicContact CB-CG1 4.41Å; L113-I170 HydrophobicContact CD1-CD1 3.82Å; I115-I170 HydrophobicContact CD1-CD1 4.27Å; I168-I170 HydrophobicContact CG2-CG1 4.15Å; I170-I172 HydrophobicContact CG2-CD1 4.3Å; I170-I172 HydrophobicContact CG2-CG1 3.72Å; I170-I201 HydrophobicContact CD1-CD1 3.24Å; I170-I201 HydrophobicContact CD1-CG1 4.48Å; I170-I201 HydrophobicContact CG1-CD1 3.8Å
171	N	26.5	Very low	24.2	Very low	41 Å²	41	79.4 Å²	79.4	22%	0.219	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	105.2	168.9	-170.1	-11.9	0	0	0	109.2	I110 I215 L217	I110-N171 HydrophobicContact CG2-CB 4.47Å; N171-I215 PolarHBondContact N-O 2.89Å; N171-L217 PolarHBondContact O-N 3.2Å
172	I	26.6	Very low	24.1	Very low	2 Å²	2	78.7 Å²	78.7	1%	0.01	42%	0.419	C	S	.	.			trans	-95.5	92.7	172.5	-49.2	-174	0	0	0	108.2	A81 L111 I170 L217	A81-I172 HydrophobicContact CB-CD1 3.42Å; A81-I172 VanDerWaalsContact CB-CD1 3.42Å; L111-I172 HydrophobicContact CB-CB 4.47Å; L111-I172 HydrophobicContact CB-CD1 4.07Å; L111-I172 HydrophobicContact CB-CG1 4.32Å; L111-I172 HydrophobicContact CD2-CD1 3.81Å; I170-I172 HydrophobicContact CG2-CD1 4.3Å; I170-I172 HydrophobicContact CG2-CG1 3.72Å; I172-L217 HydrophobicContact CG1-CD1 4.13Å; I172-L217 HydrophobicContact CG2-CD1 4.29Å
173	Q	24.9	Very low	24	Very low	54 Å²	54	82 Å²	82	25%	0.252	43%	0.428	S	S	.	.			trans	-78.2	124.4	167.6	-70.1	-162.2	10.8	0	0	110.3	I108 N218	I108-Q173 HydrophobicContact CG2-CG 4.25Å; Q173-N218 WeakPolarHBondContact CB-OD1 3.27Å; Q173-N218 WeakPolarHBondContact CG-OD1 2.88Å; Q173-N218 PolarHBondContact NE2-ND2 3.47Å; Q173-N218 PolarHBondContact NE2-OD1 3.49Å; Q173-N218 VanDerWaalsContact NE2-OD1 3.1Å; Q173-N218 PolarHBondContact OE1-OD1 2.71Å
174	T	24.9	Very low	23.9	Very low	33 Å²	33	88.3 Å²	88.3	20%	0.202	46%	0.458	C	S	.	.			trans	-97.1	113.1	168.4	-39.1	0	0	0	0	108.9	S83 C85 S176	S83-T174 PolarHBondContact OG-OG1 3.3Å; C85-T174 HydrophobicContact CB-CG2 4.33Å; C85-T174 WeakPolarHBondContact SG-CB 3.5Å; C85-T174 WeakPolarHBondContact SG-CG2 3.25Å; T174-S176 PolarHBondContact O-N 3.4Å
175	I	21.1	Very low	23.6	Very low	65 Å²	65	91.5 Å²	91.5	33%	0.333	47%	0.47	S	S	.	.			trans	-79.9	100.3	177.4	-60.5	175.2	0	0	0	108.2	K177 T219	I175-K177 HydrophobicContact CG2-CG 4.15Å; I175-K177 PolarHBondContact O-N 3.43Å; I175-T219 WeakPolarHBondContact CD1-O 3.34Å
176	S	21.6	Very low	23.4	Very low	73 Å²	73	97.8 Å²	97.8	51%	0.51	49%	0.493	S	S	.	.			trans	-77.7	96.5	162.1	-172.1	0	0	0	0	108.1	T174 T178	T174-S176 PolarHBondContact O-N 3.4Å; S176-T178 PolarHBondContact O-N 3.3Å
177	K	22	Very low	23.1	Very low	130 Å²	130	103.2 Å²	103.2	57%	0.565	53%	0.526	S	S	*	.			trans	-72.6	112.6	165.9	-92.9	-173.3	173.2	178.5	0	107.2	I175 I179 A221	I175-K177 HydrophobicContact CG2-CG 4.15Å; I175-K177 PolarHBondContact O-N 3.43Å; K177-I179 PolarHBondContact O-N 2.69Å; K177-A221 PolarHBondContact NZ-O 3.34Å
178	T	19.8	Very low	22.7	Very low	120 Å²	120	107.8 Å²	107.8	74%	0.736	55%	0.549	S	S	*	.			trans	-45.2	105.4	168.6	-17.7	0	0	0	0	109.4	S176 Q180	S176-T178 PolarHBondContact O-N 3.3Å; T178-Q180 HydrophobicContact CG2-CG 4.5Å; T178-Q180 PolarHBondContact O-N 2.92Å
179	I	21.4	Very low	22.2	Very low	137 Å²	137	118.6 Å²	118.6	70%	0.703	59%	0.59	S	S	*	*			trans	-73.6	85.1	166.7	-62.7	174.7	0	0	0	105.5	K177 R181	K177-I179 PolarHBondContact O-N 2.69Å; I179-R181 PolarHBondContact O-N 3.36Å
180	Q	20.3	Very low	21.9	Very low	164 Å²	164	125.6 Å²	125.6	77%	0.766	62%	0.615	S	S	*	*			trans	-68.7	117.8	166.2	-78.7	-173.6	-11.3	0	0	108.4	T178	T178-Q180 HydrophobicContact CG2-CG 4.5Å; T178-Q180 PolarHBondContact O-N 2.92Å
181	R	20.6	Very low	21.6	Very low	243 Å²	243	132 Å²	132	92%	0.917	65%	0.645	S	S	*	*			trans	54.1	79.5	151.2	-64.8	179.2	173.4	173.1	-2	116.5	I179	I179-R181 PolarHBondContact O-N 3.36Å
182	A	19.3	Very low	21.3	Very low	92 Å²	92	134.5 Å²	134.5	76%	0.76	67%	0.666	S	S	*	*			trans	-100.5	116.9	136.9	0	0	0	0	0	106.9	L184	A182-L184 PolarHBondContact O-N 2.79Å; A182-L184 VanDerWaalsContact O-N 3.15Å
183	K	20.4	Very low	21	Very low	200 Å²	200	145.1 Å²	145.1	87%	0.87	71%	0.706	S	S	*	*			trans	-47.7	115.2	-178.5	-81.3	169.4	167.4	177.5	0	111.4	E185	K183-E185 PolarHBondContact O-N 3.18Å
184	L	23.1	Very low	21.1	Very low	175 Å²	175	144.6 Å²	144.6	92%	0.916	71%	0.707	S	S	*	*				17.2	76.1	129.8	-128.4	111.2	0	0	0	116.1	A182	A182-L184 PolarHBondContact O-N 2.79Å; A182-L184 VanDerWaalsContact O-N 3.15Å
185	E	19.3	Very low	21.2	Very low	177 Å²	177	151.1 Å²	151.1	83%	0.827	73%	0.732	S	S	*	*			trans	-133.8	132.1	151.4	-77	-168.9	161.8	0	0	108.7	K183 V187	K183-E185 PolarHBondContact O-N 3.18Å; E185-V187 PolarHBondContact O-N 3.29Å; E185-V187 VanDerWaalsContact O-N 3.16Å
186	K	21.5	Very low	21.6	Very low	215 Å²	215	148.4 Å²	148.4	94%	0.935	72%	0.719	S	S	*	*			trans	-37	109.8	-173.9	-65.5	166.3	175.4	175.4	0	113.1
187	V	20.3	Very low	22.2	Very low	135 Å²	135	148.3 Å²	148.3	82%	0.818	71%	0.71	S	S	*	*			trans	-134.2	114.6	164.4	-171.5	0	0	0	0	111.4	E185	E185-V187 PolarHBondContact O-N 3.29Å; E185-V187 VanDerWaalsContact O-N 3.16Å
188	N	19.2	Very low	22.5	Very low	149 Å²	149	145.1 Å²	145.1	80%	0.797	69%	0.694	S	S	*	*			trans	-49.3	135.6	169.3	-137	-19.6	0	0	0	111.2	K190	N188-K190 PolarHBondContact O-N 2.76Å; N188-K190 VanDerWaalsContact O-N 3.11Å
189	Y	19.2	Very low	23.2	Very low	234 Å²	234	139.8 Å²	139.8	92%	0.918	66%	0.663	S	S	*	*			trans	-29.8	105.6	-178.6	-80.2	-98.9	0	0	0	114.9
190	K	19.6	Very low	23.6	Very low	191 Å²	191	137.8 Å²	137.8	83%	0.83	65%	0.653	S	S	*	*			trans	-136.8	114.1	157.4	-82.6	-170	177.7	179.7	0	110.5	N188	N188-K190 PolarHBondContact O-N 2.76Å; N188-K190 VanDerWaalsContact O-N 3.11Å
191	Q	21.4	Very low	24.3	Very low	141 Å²	141	130.6 Å²	130.6	66%	0.659	62%	0.619	S	S	*	*			trans	51.4	110.9	158.4	-81.8	166.7	-36.1	0	0	118	R193	Q191-R193 PolarHBondContact O-N 3.3Å
192	S	21.4	Very low	24.8	Very low	95 Å²	95	122.6 Å²	122.6	66%	0.664	60%	0.595	S	S	*	*			trans	-51.5	107.6	160.4	57.1	0	0	0	0	110.2	T194	S192-T194 PolarHBondContact O-N 2.76Å
193	R	20.6	Very low	25.5	Very low	224 Å²	224	118.9 Å²	118.9	85%	0.845	56%	0.562	S	S	*	*			trans	-68.7	53.3	168.9	-75	179.5	161.1	-175.6	-3.5	111.8	Q191 K195	Q191-R193 PolarHBondContact O-N 3.3Å; R193-K195 PolarHBondContact O-N 3.01Å
194	T	26.6	Very low	25.9	Very low	43 Å²	43	110.8 Å²	110.8	26%	0.264	53%	0.531	S	S	.	.			trans	-87.1	100.3	170.8	49.2	0	0	0	0	108.2	C85 S192 S196	C85-T194 HydrophobicContact CB-CG2 3.96Å; S192-T194 PolarHBondContact O-N 2.76Å; T194-S196 PolarHBondContact O-N 3.45Å
195	K	27.1	Very low	26.1	Very low	170 Å²	170	106.7 Å²	106.7	74%	0.739	51%	0.513	S	S	*	.			trans	-64.8	78.8	166.9	-72.8	-176	175.9	-172.7	0	108.7	R193 K197	R193-K195 PolarHBondContact O-N 3.01Å; K195-K197 PolarHBondContact O-N 3.34Å
196	S	28.3	Very low	26.5	Very low	9 Å²	9	100.2 Å²	100.2	6%	0.063	49%	0.487	C	S	.	.			trans	-69.3	111.6	173.4	47.5	0	0	0	0	108.9	K82 S83 T194	K82-S196 WeakPolarHBondContact CE-OG 3.37Å; S83-S196 WeakPolarHBondContact O-CB 3.47Å; T194-S196 PolarHBondContact O-N 3.45Å
197	K	34	Very low	26.7	Very low	71 Å²	71	94.6 Å²	94.6	31%	0.309	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-77.2	129.6	175.3	-66.9	179.1	-176.8	174.2	0	108.9	K195 T219	K195-K197 PolarHBondContact O-N 3.34Å; K197-T219 PolarHBondContact NZ-O 3.42Å; K197-T219 PolarHBondContact NZ-OG1 2.84Å
198	W	29.5	Very low	26.8	Very low	62 Å²	62	94.6 Å²	94.6	24%	0.235	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132	171.4	-69.7	91.3	0	0	0	109.8	M80 A81 K82 V327	M80-W198 HydrophobicContact CB-CE3 3.82Å; M80-W198 HydrophobicContact CB-CZ3 3.93Å; A81-W198 WeakPolarHBondContact O-CA 3.17Å; K82-W198 HydrophobicContact CB-CD2 4.06Å; K82-W198 HydrophobicContact CB-CE3 3.84Å; K82-W198 HydrophobicContact CB-CH2 3.81Å; K82-W198 HydrophobicContact CB-CZ2 4Å; K82-W198 HydrophobicContact CB-CZ3 3.72Å; K82-W198 HydrophobicContact CD-CH2 4.11Å; K82-W198 HydrophobicContact CD-CZ2 3.65Å; K82-W198 HydrophobicContact CG-CD2 4.42Å; K82-W198 HydrophobicContact CG-CH2 4.44Å; K82-W198 HydrophobicContact CG-CZ2 4.14Å; W198-V327 HydrophobicContact CD2-CG2 4.49Å; W198-V327 HydrophobicContact CG-CG2 4.09Å
199	G	34.2	Very low	27.1	Very low	9 Å²	9	89 Å²	89	9%	0.093	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.3	162	0	0	0	0	0	109.6	M80 A81	M80-G199 WeakPolarHBondContact CA-O 3.49Å; A81-G199 PolarHBondContact N-O 2.76Å; A81-G199 PolarHBondContact O-N 3.11Å
200	I	28.8	Very low	27.3	Very low	94 Å²	94	83.8 Å²	83.8	48%	0.482	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.7	175.4	-57.3	178.5	0	0	0	108.4	L78 M80	L78-I200 HydrophobicContact CD1-CG2 3.4Å; L78-I200 HydrophobicContact CG-CG2 4.43Å; M80-I200 HydrophobicContact CG-CG1 4.26Å
201	I	36.3	Very low	27.4	Very low	13 Å²	13	76.9 Å²	76.9	7%	0.067	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.7	172.2	-51.7	-175.7	0	0	0	108.6	L78 I79 I115 I170 L203 I215	L78-I201 WeakPolarHBondContact CA-O 3.48Å; I79-I201 HydrophobicContact CB-CB 4.32Å; I79-I201 PolarHBondContact N-O 2.85Å; I79-I201 PolarHBondContact O-N 2.96Å; I115-I201 HydrophobicContact CD1-CD1 4.46Å; I170-I201 HydrophobicContact CD1-CD1 3.24Å; I170-I201 HydrophobicContact CD1-CG1 4.48Å; I170-I201 HydrophobicContact CG1-CD1 3.8Å; I201-L203 HydrophobicContact CG2-CD2 3.83Å; I201-L203 HydrophobicContact CG2-CG 4.04Å; I201-I215 HydrophobicContact CD1-CD1 3.31Å; I201-I215 HydrophobicContact CG1-CD1 3.46Å; I201-I215 VanDerWaalsContact CG1-CD1 3.46Å; I201-I215 HydrophobicContact CG2-CD1 4.48Å
202	N	29.8	Very low	27.4	Very low	75 Å²	75	76 Å²	76	40%	0.401	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.7	169	-173.3	-3.1	0	0	0	109.2	S204	N202-S204 VanDerWaalsContact C-N 3.29Å; N202-S204 PolarHBondContact ND2-OG 3.05Å; N202-S204 PolarHBondContact O-N 3.26Å; N202-S204 VanDerWaalsContact OD1-CB 3.25Å; N202-S204 WeakPolarHBondContact OD1-CB 3.25Å; N202-S204 PolarHBondContact OD1-N 3.48Å; N202-S204 PolarHBondContact OD1-OG 2.98Å
203	L	34.2	Very low	27.6	Very low	15 Å²	15	73 Å²	73	8%	0.079	37%	0.368	C	S	.	.			trans	-91.7	25	178.4	-63.6	171	0	0	0	112.9	I57 L77 I79 I168 I201 T205 C206	I57-L203 HydrophobicContact CD1-CD1 4.49Å; L77-L203 HydrophobicContact CB-CB 4.47Å; L77-L203 HydrophobicContact CB-CD1 4.27Å; L77-L203 HydrophobicContact CD2-CD1 4.1Å; L77-L203 HydrophobicContact CG-CD1 4.49Å; L77-L203 PolarHBondContact O-N 3.1Å; L77-L203 VanDerWaalsContact O-N 3.1Å; I79-L203 HydrophobicContact CD1-CD1 3.92Å; I168-L203 HydrophobicContact CD1-CD2 4.22Å; I201-L203 HydrophobicContact CG2-CD2 3.83Å; I201-L203 HydrophobicContact CG2-CG 4.04Å; L203-T205 PolarHBondContact O-N 2.82Å; L203-T205 VanDerWaalsContact O-N 3.11Å; L203-C206 HydrophobicContact CB-CB 4.43Å; L203-C206 WeakPolarHBondContact CD2-SG 3.46Å; L203-C206 PolarHBondContact O-N 2.86Å
204	S	29.2	Very low	27.7	Very low	30 Å²	30	68.6 Å²	68.6	21%	0.21	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.9	-177.4	56.9	0	0	0	0	115.2	E76 N202	E76-S204 WeakPolarHBondContact OE1-CB 3.29Å; N202-S204 VanDerWaalsContact C-N 3.29Å; N202-S204 PolarHBondContact ND2-OG 3.05Å; N202-S204 PolarHBondContact O-N 3.26Å; N202-S204 VanDerWaalsContact OD1-CB 3.25Å; N202-S204 WeakPolarHBondContact OD1-CB 3.25Å; N202-S204 PolarHBondContact OD1-N 3.48Å; N202-S204 PolarHBondContact OD1-OG 2.98Å
205	T	27.2	Very low	27.7	Very low	89 Å²	89	67.7 Å²	67.7	55%	0.546	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	10.1	-177.4	47.3	0	0	0	0	113.9	L203 N207	L203-T205 PolarHBondContact O-N 2.82Å; L203-T205 VanDerWaalsContact O-N 3.11Å; T205-N207 PolarHBondContact O-N 3.46Å
206	C	28.2	Very low	27.5	Very low	41 Å²	41	63.7 Å²	63.7	28%	0.277	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	28.6	-175.4	-67.5	0	0	0	0	115.8	L203 N208 I209	L203-C206 HydrophobicContact CB-CB 4.43Å; L203-C206 WeakPolarHBondContact CD2-SG 3.46Å; L203-C206 PolarHBondContact O-N 2.86Å; C206-N208 PolarHBondContact O-N 2.89Å; C206-I209 HydrophobicContact CB-CD1 4.48Å
207	N	26.4	Very low	27.3	Very low	96 Å²	96	65.2 Å²	65.2	51%	0.513	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.1	175	-87.9	0	0	0	0	113.3	T205	T205-N207 PolarHBondContact O-N 3.46Å
208	N	22.7	Very low	26.8	Very low	136 Å²	136	65.1 Å²	65.1	73%	0.727	35%	0.35	S	S	*	.	S	Bend	trans	-153.4	25.3	-177.5	-84.1	-32.9	0	0	0	115.3	C206 H210	C206-N208 PolarHBondContact O-N 2.89Å; N208-H210 PolarHBondContact O-N 2.91Å
209	I	24.9	Very low	26.4	Very low	31 Å²	31	65.5 Å²	65.5	16%	0.159	36%	0.36	C	S	.	.			trans	-79	92.6	-174.1	-57.5	-175.4	0	0	0	110.8	T166 C206 S211 I213 T234	T166-I209 HydrophobicContact CG2-CG2 4.44Å; T166-I209 PolarHBondContact OG1-O 2.78Å; C206-I209 HydrophobicContact CB-CD1 4.48Å; I209-S211 VanDerWaalsContact CG2-O 3.24Å; I209-S211 WeakPolarHBondContact CG2-O 3.35Å; I209-S211 VanDerWaalsContact CG2-OG 3.23Å; I209-S211 WeakPolarHBondContact CG2-OG 3.32Å; I209-S211 PolarHBondContact O-N 2.95Å; I209-I213 HydrophobicContact CD1-CD1 4.06Å; I209-I213 HydrophobicContact CG2-CD1 4.26Å; I209-I213 HydrophobicContact CG2-CG1 4.35Å; I209-T234 HydrophobicContact CD1-CG2 4.34Å
210	H	23.3	Very low	25.8	Very low	125 Å²	125	69.7 Å²	69.7	58%	0.579	39%	0.387	S	S	*	.			trans	-76.9	15.5	161	-82.4	-66.7	0	0	0	113.3	L164 N208	L164-H210 WeakPolarHBondContact CB-ND1 3.02Å; L164-H210 WeakPolarHBondContact CD1-CE1 3.39Å; L164-H210 WeakPolarHBondContact CD1-ND1 3.42Å; L164-H210 HydrophobicContact CD2-CB 4.42Å; L164-H210 VanDerWaalsContact CD2-ND1 3.25Å; L164-H210 WeakPolarHBondContact CD2-ND1 3.35Å; L164-H210 VanDerWaalsContact CG-ND1 3.34Å; L164-H210 WeakPolarHBondContact CG-ND1 3.12Å; N208-H210 PolarHBondContact O-N 2.91Å
211	S	21.4	Very low	25.6	Very low	45 Å²	45	67.6 Å²	67.6	32%	0.315	39%	0.385	S	S	.	.	S	Bend	trans	-125.7	128.7	-169.7	39.8	0	0	0	0	113.8	T166 I209 I213	T166-S211 WeakPolarHBondContact CG2-O 3.41Å; I209-S211 VanDerWaalsContact CG2-O 3.24Å; I209-S211 WeakPolarHBondContact CG2-O 3.35Å; I209-S211 VanDerWaalsContact CG2-OG 3.23Å; I209-S211 WeakPolarHBondContact CG2-OG 3.32Å; I209-S211 PolarHBondContact O-N 2.95Å; S211-I213 PolarHBondContact O-N 2.91Å; S211-I213 VanDerWaalsContact O-N 3.11Å
212	D	22.4	Very low	24.8	Very low	122 Å²	122	74.1 Å²	74.1	65%	0.652	42%	0.419	S	S	*	.			trans	-52.8	112.9	172.3	-61.7	-43.1	0	0	0	109.9	L214	D212-L214 PolarHBondContact O-N 3.5Å
213	I	25.2	Very low	24.4	Very low	33 Å²	33	75.8 Å²	75.8	17%	0.169	44%	0.437	C	S	.	.			trans	-88.7	102.3	171.3	-61.1	176.7	0	0	0	106.7	I168 I209 S211 I215 T234	I168-I213 HydrophobicContact CD1-CB 4.12Å; I168-I213 HydrophobicContact CD1-CD1 4Å; I168-I213 HydrophobicContact CD1-CG1 4.37Å; I168-I213 HydrophobicContact CG1-CB 3.97Å; I168-I213 HydrophobicContact CG1-CG1 4.5Å; I168-I213 HydrophobicContact CG2-CB 4.11Å; I168-I213 HydrophobicContact CG2-CG2 4.39Å; I168-I213 VanDerWaalsContact CG2-O 3.23Å; I168-I213 WeakPolarHBondContact CG2-O 3.18Å; I209-I213 HydrophobicContact CD1-CD1 4.06Å; I209-I213 HydrophobicContact CG2-CD1 4.26Å; I209-I213 HydrophobicContact CG2-CG1 4.35Å; S211-I213 PolarHBondContact O-N 2.91Å; S211-I213 VanDerWaalsContact O-N 3.11Å; I213-I215 HydrophobicContact CG2-CD1 3.96Å; I213-I215 HydrophobicContact CG2-CG1 3.82Å; I213-T234 HydrophobicContact CD1-CG2 4.43Å
214	L	22.6	Very low	23.8	Very low	132 Å²	132	83.4 Å²	83.4	69%	0.691	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.6	168	-151.4	98.9	0	0	0	108	D212	D212-L214 PolarHBondContact O-N 3.5Å
215	I	26	Very low	23.4	Very low	23 Å²	23	88.7 Å²	88.7	12%	0.118	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	106	172.4	-65.6	159.5	0	0	0	107.4	N171 I201 I213 L217	N171-I215 PolarHBondContact N-O 2.89Å; I201-I215 HydrophobicContact CD1-CD1 3.31Å; I201-I215 HydrophobicContact CG1-CD1 3.46Å; I201-I215 VanDerWaalsContact CG1-CD1 3.46Å; I201-I215 HydrophobicContact CG2-CD1 4.48Å; I213-I215 HydrophobicContact CG2-CD1 3.96Å; I213-I215 HydrophobicContact CG2-CG1 3.82Å; I215-L217 HydrophobicContact CG2-CD2 4.18Å; I215-L217 HydrophobicContact CG2-CG 4.05Å
216	D	22.6	Very low	23.1	Very low	86 Å²	86	91.1 Å²	91.1	46%	0.46	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	104.8	172.3	-163.2	15.4	0	0	0	109.2	N218	D216-N218 VanDerWaalsContact CG-ND2 3.28Å; D216-N218 PolarHBondContact O-N 2.89Å; D216-N218 VanDerWaalsContact O-N 3.1Å; D216-N218 PolarHBondContact OD1-ND2 3.04Å; D216-N218 PolarHBondContact OD1-OD1 3.11Å; D216-N218 PolarHBondContact OD2-ND2 2.85Å
217	L	25.2	Very low	22.8	Very low	42 Å²	42	93 Å²	93	22%	0.22	54%	0.536	C	S	.	.			trans	-83.7	44.7	173	-67.9	172.5	0	0	0	111.4	N171 I172 I215 T219	N171-L217 PolarHBondContact O-N 3.2Å; I172-L217 HydrophobicContact CG1-CD1 4.13Å; I172-L217 HydrophobicContact CG2-CD1 4.29Å; I215-L217 HydrophobicContact CG2-CD2 4.18Å; I215-L217 HydrophobicContact CG2-CG 4.05Å; L217-T219 PolarHBondContact O-N 2.73Å
218	N	22.2	Very low	22.5	Very low	68 Å²	68	96.7 Å²	96.7	36%	0.364	55%	0.548	S	S	.	.			trans	-86.2	85.8	173.1	-77.8	-13	0	0	0	111.2	Q173 D216	Q173-N218 WeakPolarHBondContact CB-OD1 3.27Å; Q173-N218 WeakPolarHBondContact CG-OD1 2.88Å; Q173-N218 PolarHBondContact NE2-ND2 3.47Å; Q173-N218 PolarHBondContact NE2-OD1 3.49Å; Q173-N218 VanDerWaalsContact NE2-OD1 3.1Å; Q173-N218 PolarHBondContact OE1-OD1 2.71Å; D216-N218 VanDerWaalsContact CG-ND2 3.28Å; D216-N218 PolarHBondContact O-N 2.89Å; D216-N218 VanDerWaalsContact O-N 3.1Å; D216-N218 PolarHBondContact OD1-ND2 3.04Å; D216-N218 PolarHBondContact OD1-OD1 3.11Å; D216-N218 PolarHBondContact OD2-ND2 2.85Å
219	T	22.4	Very low	22.6	Very low	70 Å²	70	95.9 Å²	95.9	43%	0.429	54%	0.538	S	S	.	.			trans	-99.6	83.4	161.1	31.6	0	0	0	0	109.1	I175 K197 L217 A221	I175-T219 WeakPolarHBondContact CD1-O 3.34Å; K197-T219 PolarHBondContact NZ-O 3.42Å; K197-T219 PolarHBondContact NZ-OG1 2.84Å; L217-T219 PolarHBondContact O-N 2.73Å; T219-A221 PolarHBondContact O-N 3.15Å
220	S	21.3	Very low	22.5	Very low	97 Å²	97	101 Å²	101	68%	0.678	57%	0.565	S	S	*	*			trans	-57.7	120.7	164.8	62	0	0	0	0	108	N222	S220-N222 PolarHBondContact O-N 3.21Å
221	A	23.3	Very low	22.5	Very low	51 Å²	51	100.7 Å²	100.7	42%	0.421	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	43.5	-164.5	0	0	0	0	0	114	K177 T219	K177-A221 PolarHBondContact NZ-O 3.34Å; T219-A221 PolarHBondContact O-N 3.15Å
222	N	21.1	Very low	22.6	Very low	149 Å²	149	103.6 Å²	103.6	80%	0.797	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	5.9	177.2	-80.5	5.6	0	0	0	114.7	S220 M224	S220-N222 PolarHBondContact O-N 3.21Å; N222-M224 PolarHBondContact O-N 3.1Å
223	S	19.9	Very low	22.5	Very low	111 Å²	111	105.1 Å²	105.1	78%	0.776	58%	0.584	S	S	*	*			trans	-99.5	64.8	163.5	-175.2	0	0	0	0	109.5	N225	S223-N225 VanDerWaalsContact C-N 3.33Å; S223-N225 PolarHBondContact O-N 3.17Å
224	M	21.8	Very low	22.3	Very low	175 Å²	175	106.9 Å²	106.9	86%	0.862	60%	0.596	S	S	*	*			trans	-83.1	87.7	158.5	-91.1	-177.4	154.1	0	0	106	N222	N222-M224 PolarHBondContact O-N 3.1Å
225	N	21	Very low	22.2	Very low	140 Å²	140	111.1 Å²	111.1	75%	0.749	61%	0.605	S	S	*	*	S	Bend	trans	-170.5	127.8	148.1	-88.6	-17.5	0	0	0	107.3	S223	S223-N225 VanDerWaalsContact C-N 3.33Å; S223-N225 PolarHBondContact O-N 3.17Å
226	D	21.7	Very low	22	Very low	140 Å²	140	115.1 Å²	115.1	75%	0.749	63%	0.627	S	S	*	*	S	Bend	trans	65.9	85.2	172.8	-55.5	-23	0	0	0	118.2	K228	D226-K228 PolarHBondContact O-N 3Å
227	G	21.6	Very low	21.9	Very low	80 Å²	80	118.3 Å²	118.3	83%	0.825	64%	0.643	S	S	*	*				53.1	2.4	123.2	0	0	0	0	0	122.1	K229	G227-K229 PolarHBondContact O-N 2.92Å
228	K	20.9	Very low	21.8	Very low	175 Å²	175	124.7 Å²	124.7	76%	0.761	67%	0.672	S	S	*	*			trans	-90.8	94.4	-176.2	-71	-178	-178.6	176.6	0	110.4	D226 N230	D226-K228 PolarHBondContact O-N 3Å; K228-N230 PolarHBondContact O-N 3.26Å
229	K	24.5	Very low	21.7	Very low	119 Å²	119	130.5 Å²	130.5	52%	0.517	69%	0.69	S	S	.	*			trans	-65.9	117	164.1	-72.8	-173.6	169.8	-163.3	0	108.3	G227 L231 E326	G227-K229 PolarHBondContact O-N 2.92Å; K229-L231 PolarHBondContact O-N 3.23Å; K229-E326 IonicContact NZ-OE1 2.81Å; K229-E326 PolarHBondContact NZ-OE1 3.45Å
230	N	22.8	Very low	21.6	Very low	137 Å²	137	135 Å²	135	73%	0.733	71%	0.706	S	S	*	*			trans	-69.8	98.2	175	-72.5	-20	0	0	0	109.7	K228	K228-N230 PolarHBondContact O-N 3.26Å
231	L	22.7	Very low	21.6	Very low	119 Å²	119	139.6 Å²	139.6	62%	0.623	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-85.7	118.1	153.9	-101.2	105.4	0	0	0	107.3	K229 Y233	K229-L231 PolarHBondContact O-N 3.23Å; L231-Y233 HydrophobicContact CB-CE2 4.47Å; L231-Y233 PolarHBondContact O-N 3.43Å
232	C	23.3	Very low	21.5	Very low	107 Å²	107	146.3 Å²	146.3	72%	0.723	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-71.5	122.2	171.9	-71.5	0	0	0	0	109.6
233	Y	21.2	Very low	21.5	Very low	153 Å²	153	143.1 Å²	143.1	60%	0.6	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-94.6	135.8	167.9	-67.5	-86	0	0	0	109.3	L231	L231-Y233 HydrophobicContact CB-CE2 4.47Å; L231-Y233 PolarHBondContact O-N 3.43Å
234	T	21.2	Very low	21.5	Very low	70 Å²	70	143.4 Å²	143.4	43%	0.429	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-70.1	122.5	167	41.9	0	0	0	0	109.4	I209 I213 D236	I209-T234 HydrophobicContact CD1-CG2 4.34Å; I213-T234 HydrophobicContact CD1-CG2 4.43Å; T234-D236 PolarHBondContact O-N 2.97Å; T234-D236 VanDerWaalsContact O-N 3.16Å
235	Y	19.6	Very low	21.4	Very low	221 Å²	221	142.5 Å²	142.5	87%	0.867	70%	0.703	S	S	*	*			trans	-75.5	95.1	167	-85.2	-91.6	0	0	0	108.8
236	D	21.4	Very low	21.3	Very low	108 Å²	108	146.1 Å²	146.1	58%	0.578	71%	0.708	S	S	*	*			trans	-83.6	117	155	-91.4	-27.9	0	0	0	107.5	T234 H238	T234-D236 PolarHBondContact O-N 2.97Å; T234-D236 VanDerWaalsContact O-N 3.16Å; D236-H238 PolarHBondContact O-N 3.49Å
237	N	21.6	Very low	21.2	Very low	152 Å²	152	149.5 Å²	149.5	81%	0.813	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	117.5	169.3	-81.1	-32.5	0	0	0	108.6
238	H	21.3	Very low	21	Very low	177 Å²	177	155.5 Å²	155.5	82%	0.819	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	107	10.3	172.4	-63.8	-39.7	0	0	0	121.3	D236	D236-H238 PolarHBondContact O-N 3.49Å
239	Y	21.3	Very low	20.9	Very low	189 Å²	189	157.6 Å²	157.6	74%	0.741	72%	0.715	S	S	*	*			trans	-133.4	103.5	160	-72.3	-81.9	0	0	0	112.2	Y241	Y239-Y241 PolarHBondContact O-N 2.79Å
240	H	20.4	Very low	20.7	Very low	166 Å²	166	162.5 Å²	162.5	77%	0.769	73%	0.732	S	S	*	*			trans	-66.5	92.9	167.4	-86.6	-93.6	0	0	0	109.5	Y242	H240-Y242 HydrophobicContact CB-CD2 4.2Å; H240-Y242 HydrophobicContact CB-CE2 4.12Å; H240-Y242 AromaticContact ND1-CE2 3.71Å; H240-Y242 PolarHBondContact O-N 3.11Å
241	Y	22	Very low	20.5	Very low	193 Å²	193	165.7 Å²	165.7	76%	0.757	74%	0.735	S	S	*	*			trans	-83.3	94.7	163.4	-82.7	-86.2	0	0	0	109	Y239 C243	Y239-Y241 PolarHBondContact O-N 2.79Å; Y241-C243 PolarHBondContact O-N 3.49Å
242	Y	20.6	Very low	20.4	Very low	192 Å²	192	166.5 Å²	166.5	75%	0.753	75%	0.749	S	S	*	*			trans	-75.7	98.1	164	-80	-86.8	0	0	0	108.7	H240 C244	H240-Y242 HydrophobicContact CB-CD2 4.2Å; H240-Y242 HydrophobicContact CB-CE2 4.12Å; H240-Y242 AromaticContact ND1-CE2 3.71Å; H240-Y242 PolarHBondContact O-N 3.11Å; Y242-C244 PolarHBondContact O-N 2.83Å
243	C	21.4	Very low	20.1	Very low	81 Å²	81	171.2 Å²	171.2	55%	0.547	75%	0.753	S	S	.	*			trans	-84.6	98.2	164.7	-83.1	0	0	0	0	109.2	Y241 Y245	Y241-C243 PolarHBondContact O-N 3.49Å; C243-Y245 PolarHBondContact O-N 3.13Å
244	C	18.6	Very low	20.1	Very low	118 Å²	118	171.9 Å²	171.9	80%	0.797	76%	0.761	S	S	*	*			trans	-66.8	116.8	165.1	-74	0	0	0	0	109.4	Y242 Y246	Y242-C244 PolarHBondContact O-N 2.83Å; C244-Y246 PolarHBondContact O-N 2.94Å
245	Y	20.4	Very low	20	Very low	155 Å²	155	178.6 Å²	178.6	61%	0.608	78%	0.78	S	S	*	*			trans	-64.3	108.6	166.8	-106.9	-96.9	0	0	0	108.9	C243	C243-Y245 PolarHBondContact O-N 3.13Å
246	Y	18.8	Very low	20	Very low	217 Å²	217	175 Å²	175	85%	0.851	77%	0.771	S	S	*	*			trans	-141.2	126.5	153.4	-106.2	-84.8	0	0	0	109.8	C244	C244-Y246 PolarHBondContact O-N 2.94Å
247	Y	20	Very low	20	Very low	211 Å²	211	180.9 Å²	180.9	83%	0.827	79%	0.787	S	S	*	*	S	Bend	trans	-49.2	142.5	168.6	-104.8	-105.8	0	0	0	110.2
248	Y	17.9	Very low	19.8	Very low	206 Å²	206	182.6 Å²	182.6	81%	0.808	78%	0.783	S	S	*	*	S	Bend	trans	91.6	108.4	-178.7	-76.6	-93.5	0	0	0	116.9	Y250	Y248-Y250 PolarHBondContact O-N 3.33Å
249	Y	18.6	Very low	19.6	Very low	219 Å²	219	179.2 Å²	179.2	86%	0.859	78%	0.779	S	S	*	*			trans	8.4	100.9	151.8	-87.9	-91.9	0	0	0	115.7
250	Y	19.4	Very low	19.5	Very low	222 Å²	222	180.1 Å²	180.1	87%	0.871	78%	0.783	S	S	*	*			trans	-146.3	132	152.4	-105.6	-80.6	0	0	0	113.1	Y248 C252	Y248-Y250 PolarHBondContact O-N 3.33Å; Y250-C252 PolarHBondContact O-N 3.23Å
251	Y	18.8	Very low	19.4	Very low	204 Å²	204	180.6 Å²	180.6	80%	0.8	79%	0.786	S	S	*	*			trans	-48.8	124.8	171.8	-82.3	-103.6	0	0	0	111.6	Y253	Y251-Y253 PolarHBondContact O-N 2.83Å
252	C	20.1	Very low	19.3	Very low	135 Å²	135	181.5 Å²	181.5	91%	0.912	79%	0.793	S	S	*	*			trans	-66.7	103.6	169.8	-64.4	0	0	0	0	109.9	Y250	Y250-C252 PolarHBondContact O-N 3.23Å
253	Y	18.6	Very low	19.3	Very low	206 Å²	206	177.3 Å²	177.3	81%	0.808	79%	0.793	S	S	*	*			trans	-79.3	123.8	165.8	-95	-90.8	0	0	0	110	Y251 Y255	Y251-Y253 PolarHBondContact O-N 2.83Å; Y253-Y255 PolarHBondContact O-N 3.11Å
254	H	19.9	Very low	19.6	Very low	168 Å²	168	179 Å²	179	78%	0.778	80%	0.802	S	S	*	*			trans	-71.3	99.2	179.1	-136.6	-93	0	0	0	109.4	H256	H254-H256 PolarHBondContact O-N 2.82Å
255	Y	19.3	Very low	19.8	Very low	210 Å²	210	180.3 Å²	180.3	82%	0.824	80%	0.801	S	S	*	*			trans	-89.7	105.6	170.3	-98	-86.8	0	0	0	110.2	Y253 Y257	Y253-Y255 PolarHBondContact O-N 3.11Å; Y255-Y257 PolarHBondContact O-N 2.83Å
256	H	19.5	Very low	19.8	Very low	145 Å²	145	183.3 Å²	183.3	67%	0.671	82%	0.817	S	S	*	*			trans	-65.9	109.1	168	-91.3	-96.4	0	0	0	109.4	H254 Y258	H254-H256 PolarHBondContact O-N 2.82Å; H256-Y258 PolarHBondContact O-N 2.88Å; H256-Y258 VanDerWaalsContact O-N 3.1Å
257	Y	20.6	Very low	19.8	Very low	233 Å²	233	178.7 Å²	178.7	91%	0.914	81%	0.812	S	S	*	*			trans	-74.3	97.9	168.3	-114.5	-91.2	0	0	0	109	Y255	Y255-Y257 PolarHBondContact O-N 2.83Å
258	Y	18.6	Very low	20	Very low	187 Å²	187	172.8 Å²	172.8	73%	0.733	80%	0.801	S	S	*	*			trans	-70.6	127	162	-97.3	-92.1	0	0	0	108.9	H256 Y260	H256-Y258 PolarHBondContact O-N 2.88Å; H256-Y258 VanDerWaalsContact O-N 3.1Å; Y258-Y260 PolarHBondContact O-N 2.87Å
259	S	17.8	Very low	20.2	Very low	106 Å²	106	170.3 Å²	170.3	74%	0.741	80%	0.801	S	S	*	*			trans	-52.9	112.6	163	45.9	0	0	0	0	110.8
260	Y	19.2	Very low	20.3	Very low	208 Å²	208	171.6 Å²	171.6	82%	0.816	81%	0.805	S	S	*	*			trans	-139.9	134.1	159.7	-100.5	-82.4	0	0	0	112	Y258	Y258-Y260 PolarHBondContact O-N 2.87Å
261	Q	18.3	Very low	20.4	Very low	176 Å²	176	164.2 Å²	164.2	82%	0.822	79%	0.785	S	S	*	*			trans	-56.9	146.4	175.9	-66.9	164.8	-38.1	0	0	112.2
262	K	18.9	Very low	20.6	Very low	212 Å²	212	162.2 Å²	162.2	92%	0.922	78%	0.784	S	S	*	*			trans	10.8	113.4	156.1	-69.6	-179.9	175.3	-179.7	0	117.5
263	S	19.7	Very low	20.7	Very low	105 Å²	105	163.6 Å²	163.6	73%	0.734	78%	0.782	S	S	*	*			trans	-159	127.2	143	178.4	0	0	0	0	110.1	L265	S263-L265 PolarHBondContact O-N 3.26Å
264	P	29.2	Very low	20.9	Very low	115 Å²	115	160.1 Å²	160.1	75%	0.747	78%	0.776	S	S	*	*			trans	-90.9	100.6	-174.7	34.4	-27.4	0	0	0	110.3
265	L	21.5	Very low	21.1	Very low	147 Å²	147	159 Å²	159	77%	0.77	78%	0.775	S	S	*	*			trans	-155.5	22.6	166.3	-111.9	142.9	0	0	0	114.4	S263	S263-L265 PolarHBondContact O-N 3.26Å
266	F	20.3	Very low	21.3	Very low	218 Å²	218	156.8 Å²	156.8	96%	0.956	78%	0.777	S	S	*	*			trans	-122.7	34.6	172.5	-98.9	-86.9	0	0	0	113.4
267	T	20.6	Very low	21.4	Very low	120 Å²	120	153.6 Å²	153.6	74%	0.736	77%	0.771	S	S	*	*			trans	-105	94.5	152.6	44.3	0	0	0	0	107.8
268	S	22.8	Very low	21.4	Very low	87 Å²	87	146.4 Å²	146.4	61%	0.608	77%	0.768	S	S	*	*	S	Bend	trans	-157.6	1.2	159.2	71.1	0	0	0	0	117.4
269	L	21.9	Very low	21.5	Very low	154 Å²	154	145 Å²	145	81%	0.806	77%	0.772	S	S	*	*	S	Bend	trans	-143.5	10	179.2	-101.7	123.2	0	0	0	117.6
270	W	21.3	Very low	21.7	Very low	245 Å²	245	149.3 Å²	149.3	93%	0.928	78%	0.777	S	S	*	*	S	Bend	trans	-122.7	9	174.2	-106.4	60.4	0	0	0	114.5
271	S	22.7	Very low	21.8	Very low	67 Å²	67	146.5 Å²	146.5	47%	0.469	78%	0.776	S	S	.	*	S	Bend	trans	-112.6	2	179.5	51.4	0	0	0	0	115.4
272	E	22.7	Very low	21.9	Very low	163 Å²	163	146.2 Å²	146.2	76%	0.762	78%	0.778	S	S	*	*	S	Bend	trans	-97.1	-8.2	-175.3	-96.1	-176	167.7	0	0	116.8
273	N	21.4	Very low	21.9	Very low	163 Å²	163	144.2 Å²	144.2	87%	0.872	77%	0.772	S	S	*	*	S	Bend	trans	-117.4	6.2	179.5	-83.9	-19.9	0	0	0	116.1
274	I	22.9	Very low	21.9	Very low	134 Å²	134	148 Å²	148	69%	0.687	78%	0.783	S	S	*	*	S	Bend	trans	-110.2	-6	171.3	-60.7	179.3	0	0	0	111.9	N276	I274-N276 PolarHBondContact O-N 3.37Å
275	L	23.7	Very low	21.4	Very low	143 Å²	143	145.6 Å²	145.6	75%	0.749	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	6.3	-179.5	-115.6	115.8	0	0	0	116
276	N	23.4	Very low	21.3	Very low	164 Å²	164	144.2 Å²	144.2	88%	0.877	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	7.8	174	-87.7	-13.5	0	0	0	115.4	I274	I274-N276 PolarHBondContact O-N 3.37Å
277	S	22.2	Very low	21.2	Very low	79 Å²	79	143.3 Å²	143.3	55%	0.552	78%	0.777	S	S	*	*	S	Bend	trans	-108.7	97.9	161.5	61.1	0	0	0	0	108.6	I279	S277-I279 PolarHBondContact O-N 3.09Å
278	G	20	Very low	21.6	Very low	81 Å²	81	145.1 Å²	145.1	84%	0.835	78%	0.781	S	S	*	*			trans	-51.2	106	-177.9	0	0	0	0	0	112.6
279	I	21.4	Very low	21.8	Very low	159 Å²	159	145.5 Å²	145.5	82%	0.815	78%	0.781	S	S	*	*			trans	-124.2	77.9	160.1	-56.4	178.2	0	0	0	104.6	S277	S277-I279 PolarHBondContact O-N 3.09Å
280	K	21.3	Very low	21.8	Very low	195 Å²	195	145.3 Å²	145.3	85%	0.848	78%	0.781	S	S	*	*			trans	-71.6	135	160.9	-83.5	-177.6	175	179.4	0	107.1	I282	K280-I282 PolarHBondContact O-N 2.83Å
281	D	20.8	Very low	21.8	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	77%	0.771	S	S	*	*			trans	-13.9	122.3	163	-55.9	-55.1	0	0	0	113.6
282	I	20.2	Very low	21.7	Very low	170 Å²	170	142.9 Å²	142.9	87%	0.872	78%	0.78	S	S	*	*			trans	-162.3	139.2	138.4	-90.7	138.2	0	0	0	110.3	K280	K280-I282 PolarHBondContact O-N 2.83Å
283	Q	19.2	Very low	21.6	Very low	171 Å²	171	141 Å²	141	80%	0.799	78%	0.783	S	S	*	*			trans	-47.5	161.4	-176.4	-69.6	164.8	-19.8	0	0	117.4	G285	Q283-G285 PolarHBondContact O-N 2.94Å
284	L	20.9	Very low	21.5	Very low	185 Å²	185	140.3 Å²	140.3	97%	0.969	78%	0.779	S	S	*	*	S	Bend	trans	-35.4	115	160.7	-75.3	91.9	0	0	0	112.1
285	G	17.3	Very low	21.4	Very low	63 Å²	63	138 Å²	138	65%	0.649	78%	0.78	S	S	*	*			trans	145.1	109.2	163.5	0	0	0	0	0	114.2	Q283	Q283-G285 PolarHBondContact O-N 2.94Å
286	S	19.7	Very low	21.2	Very low	119 Å²	119	137.1 Å²	137.1	83%	0.832	79%	0.785	S	S	*	*			trans	74.4	107.9	156.9	73.5	0	0	0	0	119.6
287	K	19	Very low	21	Very low	199 Å²	199	136 Å²	136	87%	0.865	78%	0.784	S	S	*	*			trans	52.7	137.6	141.6	-64.5	-175.2	174.4	177.3	0	121.3
288	I	27.8	Very low	20.8	Very low	158 Å²	158	140.7 Å²	140.7	81%	0.81	80%	0.797	S	S	*	*			trans	94.9	145.9	158.8	-48.9	176.5	0	0	0	113.8
289	P	28.6	Very low	20.8	Very low	95 Å²	95	145.5 Å²	145.5	62%	0.617	80%	0.795	S	S	*	*			cis	-127.3	161.7	3.1	13.9	11.7	0	0	0	117.1	I291	P289-I291 PolarHBondContact O-N 3.01Å
290	N	21	Very low	20.7	Very low	149 Å²	149	145 Å²	145	80%	0.797	79%	0.793	S	S	*	*			trans	-63.9	98.8	162.3	-167	18.8	0	0	0	110.1	N292	N290-N292 PolarHBondContact O-N 3.38Å
291	I	22.1	Very low	20.6	Very low	139 Å²	139	142.2 Å²	142.2	71%	0.713	79%	0.787	S	S	*	*			trans	-85.4	97.4	172.4	-59.6	171.2	0	0	0	107	P289 C293	P289-I291 PolarHBondContact O-N 3.01Å; I291-C293 PolarHBondContact O-N 3.47Å
292	N	20	Very low	20.7	Very low	123 Å²	123	142 Å²	142	66%	0.658	78%	0.784	S	S	*	*			trans	-58.4	104.9	163	-96.7	-2.4	0	0	0	108	N290 D294	N290-N292 PolarHBondContact O-N 3.38Å; N292-D294 VanDerWaalsContact C-N 3.33Å; N292-D294 PolarHBondContact O-N 2.71Å
293	C	21.3	Very low	20.7	Very low	122 Å²	122	139.4 Å²	139.4	82%	0.824	78%	0.777	S	S	*	*			trans	-83.7	86.2	166	-133	0	0	0	0	107.5	I291 A295	I291-C293 PolarHBondContact O-N 3.47Å; C293-A295 PolarHBondContact O-N 2.87Å
294	D	19.5	Very low	20.8	Very low	149 Å²	149	140 Å²	140	80%	0.797	78%	0.78	S	S	*	*			trans	-69.7	96	163.3	-80.8	-40.1	0	0	0	108.8	N292	N292-D294 VanDerWaalsContact C-N 3.33Å; N292-D294 PolarHBondContact O-N 2.71Å
295	A	20.1	Very low	20.7	Very low	85 Å²	85	138.7 Å²	138.7	70%	0.702	77%	0.773	S	S	*	*			trans	-153.9	112	156.6	0	0	0	0	0	110.6	C293	C293-A295 PolarHBondContact O-N 2.87Å
296	C	19.1	Very low	20.9	Very low	126 Å²	126	140.2 Å²	140.2	85%	0.851	77%	0.774	S	S	*	*			trans	78.4	60.5	160.2	-58.3	0	0	0	0	118.3	Q298	C296-Q298 VanDerWaalsContact C-N 3.3Å; C296-Q298 PolarHBondContact O-N 3.22Å
297	T	19.5	Very low	21	Very low	141 Å²	141	141.7 Å²	141.7	87%	0.865	77%	0.772	S	S	*	*			trans	-80.5	77.8	146.1	23.2	0	0	0	0	109.8	K299	T297-K299 PolarHBondContact O-N 2.75Å
298	Q	18.8	Very low	21.3	Very low	177 Å²	177	140 Å²	140	83%	0.827	77%	0.768	S	S	*	*			trans	-76.4	96.8	156.2	-89	-175.6	-0.6	0	0	107.7	C296 I300	C296-Q298 VanDerWaalsContact C-N 3.3Å; C296-Q298 PolarHBondContact O-N 3.22Å; Q298-I300 PolarHBondContact O-N 2.88Å
299	K	19.9	Very low	21	Very low	181 Å²	181	142.5 Å²	142.5	79%	0.787	77%	0.773	S	S	*	*			trans	-58.5	103.8	168.9	-83.7	177.1	174	174.7	0	109	T297 N301	T297-K299 PolarHBondContact O-N 2.75Å; K299-N301 VanDerWaalsContact C-N 3.31Å; K299-N301 PolarHBondContact O-N 2.81Å
300	I	19.6	Very low	20.9	Very low	149 Å²	149	145 Å²	145	76%	0.764	78%	0.776	S	S	*	*			trans	-72.5	93.8	161.9	-55.8	176.2	0	0	0	106.1	Q298 I302	Q298-I300 PolarHBondContact O-N 2.88Å; I300-I302 HydrophobicContact CG2-CD1 4.46Å; I300-I302 HydrophobicContact CG2-CG1 3.84Å; I300-I302 PolarHBondContact O-N 3.21Å
301	N	18.8	Very low	20.9	Very low	136 Å²	136	144.2 Å²	144.2	73%	0.727	78%	0.777	S	S	*	*			trans	-68.7	95.4	166.3	-85.8	-14.1	0	0	0	107.8	K299 T303	K299-N301 VanDerWaalsContact C-N 3.31Å; K299-N301 PolarHBondContact O-N 2.81Å; N301-T303 PolarHBondContact O-N 3.39Å
302	I	22.2	Very low	21	Very low	144 Å²	144	141 Å²	141	74%	0.738	78%	0.778	S	S	*	*			trans	-81.4	94.2	162.3	-55.6	-178.6	0	0	0	106.4	I300 Q304	I300-I302 HydrophobicContact CG2-CD1 4.46Å; I300-I302 HydrophobicContact CG2-CG1 3.84Å; I300-I302 PolarHBondContact O-N 3.21Å; I302-Q304 PolarHBondContact O-N 3.33Å; I302-Q304 VanDerWaalsContact O-N 3.14Å
303	T	19.4	Very low	21.1	Very low	117 Å²	117	142.6 Å²	142.6	72%	0.718	79%	0.787	S	S	*	*			trans	-63	108.1	169.3	-36.6	0	0	0	0	108	N301 N305	N301-T303 PolarHBondContact O-N 3.39Å; T303-N305 PolarHBondContact O-N 3.32Å; T303-N305 VanDerWaalsContact O-N 3.12Å
304	Q	21.4	Very low	21.1	Very low	184 Å²	184	145.9 Å²	145.9	86%	0.86	79%	0.792	S	S	*	*			trans	-70.3	101.3	168.4	-76.7	-178.7	-20.6	0	0	108.1	I302 S306	I302-Q304 PolarHBondContact O-N 3.33Å; I302-Q304 VanDerWaalsContact O-N 3.14Å; Q304-S306 PolarHBondContact O-N 2.91Å
305	N	20.1	Very low	21.2	Very low	156 Å²	156	146.9 Å²	146.9	83%	0.834	79%	0.792	S	S	*	*			trans	-66.6	116.9	160.9	-89.1	-8.9	0	0	0	108.1	T303	T303-N305 PolarHBondContact O-N 3.32Å; T303-N305 VanDerWaalsContact O-N 3.12Å
306	S	21.9	Very low	21.2	Very low	95 Å²	95	151.5 Å²	151.5	66%	0.664	80%	0.796	S	S	*	*			trans	-68.4	156.1	165.1	47.7	0	0	0	0	110.6	Q304	Q304-S306 PolarHBondContact O-N 2.91Å
307	N	21.9	Very low	21.3	Very low	150 Å²	150	151.9 Å²	151.9	80%	0.802	79%	0.789	S	S	*	*			trans	93.3	74.2	164.3	-50.4	-22	0	0	0	116.5
308	E	23.5	Very low	21.3	Very low	165 Å²	165	153.3 Å²	153.3	77%	0.771	78%	0.783	S	S	*	*			trans	-144.3	109	139.6	-115.2	164.5	-165.3	0	0	109.7	H310	E308-H310 PolarHBondContact O-N 3.05Å; E308-H310 IonicContact OE2-NE2 3.7Å
309	K	22	Very low	21.5	Very low	210 Å²	210	150.5 Å²	150.5	91%	0.913	77%	0.773	S	S	*	*			trans	-66.6	82	168.2	-83.2	177	172.3	174.8	0	107.8	T311	K309-T311 PolarHBondContact O-N 3.34Å
310	H	26.3	Very low	21.7	Very low	147 Å²	147	148 Å²	148	68%	0.681	76%	0.763	S	S	*	*			trans	-83.4	108.6	163.4	-83.8	-59.9	0	0	0	109.2	E308 G312	E308-H310 PolarHBondContact O-N 3.05Å; E308-H310 IonicContact OE2-NE2 3.7Å; H310-G312 VanDerWaalsContact C-N 3.26Å; H310-G312 PolarHBondContact O-N 2.96Å
311	T	22	Very low	22.3	Very low	132 Å²	132	144.3 Å²	144.3	81%	0.81	75%	0.745	S	S	*	*			trans	-49.7	90	160.6	38	0	0	0	0	109	K309 N313	K309-T311 PolarHBondContact O-N 3.34Å; T311-N313 PolarHBondContact O-N 3.16Å
312	G	22.8	Very low	22.6	Very low	73 Å²	73	145.8 Å²	145.8	75%	0.753	75%	0.748	S	S	*	*			trans	-67.8	91.1	-177.8	0	0	0	0	0	111	H310 M314	H310-G312 VanDerWaalsContact C-N 3.26Å; H310-G312 PolarHBondContact O-N 2.96Å; G312-M314 PolarHBondContact O-N 3.43Å
313	N	23.5	Very low	23.1	Very low	155 Å²	155	141.2 Å²	141.2	83%	0.829	73%	0.727	S	S	*	*			trans	-47.9	136.1	152.2	-91.9	-19.2	0	0	0	108.3	T311 E315	T311-N313 PolarHBondContact O-N 3.16Å; N313-E315 PolarHBondContact O-N 3.07Å
314	M	21.2	Very low	23.6	Very low	192 Å²	192	138.4 Å²	138.4	95%	0.946	71%	0.707	S	S	*	*			trans	-59.1	79.9	178.8	-65.3	-172.2	-151.9	0	0	111.4	G312 K316	G312-M314 PolarHBondContact O-N 3.43Å; M314-K316 PolarHBondContact O-N 3.11Å; M314-K316 VanDerWaalsContact O-N 3.17Å
315	E	20.6	Very low	24.1	Very low	170 Å²	170	133.4 Å²	133.4	79%	0.794	69%	0.686	S	S	*	*			trans	-72.3	107.7	155	-81.3	-171.8	160.3	0	0	106.5	N313 I317	N313-E315 PolarHBondContact O-N 3.07Å; E315-I317 PolarHBondContact O-N 2.79Å
316	K	21	Very low	24.9	Very low	181 Å²	181	130.4 Å²	130.4	79%	0.787	67%	0.667	S	S	*	*			trans	-54.1	86.5	160.3	-89.1	176.2	170.6	173.6	0	107.5	M314 F318	M314-K316 PolarHBondContact O-N 3.11Å; M314-K316 VanDerWaalsContact O-N 3.17Å; K316-F318 VanDerWaalsContact C-N 3.27Å; K316-F318 HydrophobicContact CB-CD2 4.48Å; K316-F318 HydrophobicContact CB-CE2 4.42Å; K316-F318 PolarHBondContact O-N 2.84Å
317	I	20.4	Very low	25.5	Very low	135 Å²	135	127.3 Å²	127.3	69%	0.692	64%	0.644	S	S	*	*			trans	-67.3	98.6	163.7	-57.3	175.3	0	0	0	104.7	E315 I319	E315-I317 PolarHBondContact O-N 2.79Å; I317-I319 HydrophobicContact CB-CG1 4.47Å; I317-I319 HydrophobicContact CG2-CG1 3.7Å; I317-I319 PolarHBondContact O-N 3.23Å
318	F	20.8	Very low	26.2	Very low	170 Å²	170	125.7 Å²	125.7	75%	0.746	63%	0.633	S	S	*	*			trans	-60.9	91.6	161.9	-81.2	-93.8	0	0	0	106.5	K316 E320	K316-F318 VanDerWaalsContact C-N 3.27Å; K316-F318 HydrophobicContact CB-CD2 4.48Å; K316-F318 HydrophobicContact CB-CE2 4.42Å; K316-F318 PolarHBondContact O-N 2.84Å; F318-E320 PolarHBondContact O-N 3.13Å
319	I	23.1	Very low	26.8	Very low	119 Å²	119	125.9 Å²	125.9	61%	0.61	63%	0.626	S	S	*	*			trans	-78	79.5	164.5	-54.3	177.1	0	0	0	105.2	I317 N321	I317-I319 HydrophobicContact CB-CG1 4.47Å; I317-I319 HydrophobicContact CG2-CG1 3.7Å; I317-I319 PolarHBondContact O-N 3.23Å; I319-N321 PolarHBondContact O-N 2.76Å
320	E	24.2	Very low	27.5	Very low	127 Å²	127	120 Å²	120	59%	0.593	60%	0.599	S	S	*	*			trans	-58.3	123.3	158.5	-70.6	-177.3	162.7	0	0	106.5	F318 E322 I325	F318-E320 PolarHBondContact O-N 3.13Å; E320-E322 PolarHBondContact O-N 2.99Å; E320-I325 HydrophobicContact CB-CD1 4.44Å; E320-I325 HydrophobicContact CB-CG1 4.22Å; E320-I325 WeakPolarHBondContact O-CD1 3.25Å
321	N	30.4	Very low	27.9	Very low	72 Å²	72	115 Å²	115	39%	0.385	58%	0.577	S	S	.	*			trans	-55.3	133.5	-175.5	-63.9	-57.1	0	0	0	109.4	I319 T323 D324 I325	I319-N321 PolarHBondContact O-N 2.76Å; N321-T323 PolarHBondContact O-N 3.42Å; N321-D324 HydrophobicContact CB-CB 4.42Å; N321-D324 PolarHBondContact ND2-OD2 3.21Å; N321-D324 VanDerWaalsContact ND2-OD2 3.13Å; N321-D324 WeakPolarHBondContact O-CA 3.23Å; N321-D324 WeakPolarHBondContact O-CB 3.35Å; N321-D324 PolarHBondContact O-N 3.06Å; N321-I325 PolarHBondContact O-N 3Å
322	E	26.3	Very low	28.6	Very low	167 Å²	167	111.8 Å²	111.8	78%	0.78	56%	0.56	S	S	*	*	H	α-helix	trans	-45.9	-31.1	174.9	-107.4	177.2	155.7	0	0	113.7	E320 I325 E326	E320-E322 PolarHBondContact O-N 2.99Å; E322-I325 PolarHBondContact O-N 2.86Å; E322-E326 PolarHBondContact O-N 3.04Å
323	T	32.1	Very low	29.2	Very low	48 Å²	48	113.3 Å²	113.3	29%	0.294	55%	0.547	S	S	.	.	H	α-helix	trans	-73.9	-36.1	176	51.1	0	0	0	0	113.6	N321 I325 E326 V327	N321-T323 PolarHBondContact O-N 3.42Å; T323-I325 VanDerWaalsContact C-N 3.31Å; T323-E326 PolarHBondContact O-N 3.39Å; T323-V327 WeakPolarHBondContact O-CG2 3.19Å; T323-V327 PolarHBondContact O-N 3.29Å; T323-V327 VanDerWaalsContact O-N 3.11Å
324	D	29.6	Very low	29.8	Very low	58 Å²	58	109.4 Å²	109.4	31%	0.31	52%	0.523	S	S	.	.	H	α-helix	trans	-69.2	-36.2	171.3	-64.2	-35.5	0	0	0	109	N321 V327 M328	N321-D324 HydrophobicContact CB-CB 4.42Å; N321-D324 PolarHBondContact ND2-OD2 3.21Å; N321-D324 VanDerWaalsContact ND2-OD2 3.13Å; N321-D324 WeakPolarHBondContact O-CA 3.23Å; N321-D324 WeakPolarHBondContact O-CB 3.35Å; N321-D324 PolarHBondContact O-N 3.06Å; D324-V327 PolarHBondContact O-N 3.42Å; D324-M328 WeakPolarHBondContact O-CB 3.5Å; D324-M328 WeakPolarHBondContact O-CG 3.12Å; D324-M328 PolarHBondContact O-N 2.75Å
325	I	33.5	Very low	30.2	Very low	80 Å²	80	103.8 Å²	103.8	41%	0.41	50%	0.496	S	S	.	.	H	α-helix	trans	-63.5	-42.1	173.2	-60.8	173.1	0	0	0	111.7	E320 N321 E322 T323 M328 R329	E320-I325 HydrophobicContact CB-CD1 4.44Å; E320-I325 HydrophobicContact CB-CG1 4.22Å; E320-I325 WeakPolarHBondContact O-CD1 3.25Å; N321-I325 PolarHBondContact O-N 3Å; E322-I325 PolarHBondContact O-N 2.86Å; T323-I325 VanDerWaalsContact C-N 3.31Å; I325-M328 CarbonylContact O-C 3.54Å; I325-M328 PolarHBondContact O-N 2.85Å; I325-R329 WeakPolarHBondContact O-CA 3.46Å; I325-R329 WeakPolarHBondContact O-CB 3.45Å; I325-R329 PolarHBondContact O-N 3Å
326	E	35.2	Very low	30.7	Very low	92 Å²	92	100 Å²	100	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-71.5	-37.3	179.4	-164.9	171.4	-162.8	0	0	112.3	K229 E322 T323 R329 Y330	K229-E326 IonicContact NZ-OE1 2.81Å; K229-E326 PolarHBondContact NZ-OE1 3.45Å; E322-E326 PolarHBondContact O-N 3.04Å; T323-E326 PolarHBondContact O-N 3.39Å; E326-R329 PolarHBondContact O-N 3.35Å; E326-Y330 HydrophobicContact CG-CD2 4.35Å; E326-Y330 PolarHBondContact O-N 2.85Å
327	V	36.2	Very low	31.2	Very low	30 Å²	30	95.5 Å²	95.5	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-65.2	-46.3	170.7	172.4	0	0	0	0	110.4	W198 T323 D324 R329 Y330 M331	W198-V327 HydrophobicContact CD2-CG2 4.49Å; W198-V327 HydrophobicContact CG-CG2 4.09Å; T323-V327 WeakPolarHBondContact O-CG2 3.19Å; T323-V327 PolarHBondContact O-N 3.29Å; T323-V327 VanDerWaalsContact O-N 3.11Å; D324-V327 PolarHBondContact O-N 3.42Å; V327-R329 PolarHBondContact O-N 3.25Å; V327-Y330 PolarHBondContact O-N 3.32Å; V327-M331 HydrophobicContact CG1-CG 4.23Å; V327-M331 HydrophobicContact CG1-SD 3.71Å; V327-M331 VanDerWaalsContact O-CB 3.27Å; V327-M331 WeakPolarHBondContact O-CB 3.41Å; V327-M331 WeakPolarHBondContact O-CG 3.39Å; V327-M331 PolarHBondContact O-N 3.35Å
328	M	35.1	Very low	31.6	Very low	117 Å²	117	93.8 Å²	93.8	58%	0.576	45%	0.452	S	S	*	.	H	α-helix	trans	-63.2	-30.9	174.5	-70.5	-70	-81.4	0	0	111.5	D324 I325 S332	D324-M328 WeakPolarHBondContact O-CB 3.5Å; D324-M328 WeakPolarHBondContact O-CG 3.12Å; D324-M328 PolarHBondContact O-N 2.75Å; I325-M328 CarbonylContact O-C 3.54Å; I325-M328 PolarHBondContact O-N 2.85Å; M328-S332 WeakPolarHBondContact O-CA 2.84Å; M328-S332 WeakPolarHBondContact O-CB 3.47Å; M328-S332 PolarHBondContact O-N 3.42Å
329	R	37.2	Very low	31.8	Very low	168 Å²	168	90.3 Å²	90.3	63%	0.634	44%	0.442	S	S	*	.	H	α-helix	trans	-73.6	-43.9	175.1	-172.5	-172.9	-107.3	-153.7	-1.5	111.1	I325 E326 V327 S332 Q333	I325-R329 WeakPolarHBondContact O-CA 3.46Å; I325-R329 WeakPolarHBondContact O-CB 3.45Å; I325-R329 PolarHBondContact O-N 3Å; E326-R329 PolarHBondContact O-N 3.35Å; V327-R329 PolarHBondContact O-N 3.25Å; R329-S332 PolarHBondContact O-N 3.1Å; R329-Q333 WeakPolarHBondContact O-CB 2.94Å; R329-Q333 WeakPolarHBondContact O-CG 3.24Å; R329-Q333 PolarHBondContact O-N 3.44Å
330	Y	35.9	Very low	32	Very low	88 Å²	88	93.1 Å²	93.1	35%	0.345	45%	0.446	S	S	.	.	H	α-helix	trans	-60.8	-49.4	170.8	-99.4	-76.9	0	0	0	109.9	E326 V327 S332 Q333 F334	E326-Y330 HydrophobicContact CG-CD2 4.35Å; E326-Y330 PolarHBondContact O-N 2.85Å; V327-Y330 PolarHBondContact O-N 3.32Å; Y330-S332 VanDerWaalsContact C-N 3.34Å; Y330-S332 PolarHBondContact O-N 3.24Å; Y330-Q333 PolarHBondContact O-N 2.92Å; Y330-F334 AromaticContact CD1-CE2 3.77Å; Y330-F334 HydrophobicContact CD1-CE2 3.77Å; Y330-F334 HydrophobicContact CD1-CZ 4.36Å; Y330-F334 WeakPolarHBondContact O-CD2 3.47Å; Y330-F334 WeakPolarHBondContact O-CG 3.43Å; Y330-F334 PolarHBondContact O-N 2.81Å
331	M	34.2	Very low	32.1	Very low	42 Å²	42	88.9 Å²	88.9	21%	0.207	43%	0.433	C	S	.	.	H	α-helix	trans	-58.2	-43.3	176.3	-71.9	177.5	69.4	0	0	112.2	V327 F334 D335	V327-M331 HydrophobicContact CG1-CG 4.23Å; V327-M331 HydrophobicContact CG1-SD 3.71Å; V327-M331 VanDerWaalsContact O-CB 3.27Å; V327-M331 WeakPolarHBondContact O-CB 3.41Å; V327-M331 WeakPolarHBondContact O-CG 3.39Å; V327-M331 PolarHBondContact O-N 3.35Å; M331-F334 CarbonylContact O-C 3.54Å; M331-F334 WeakPolarHBondContact O-CA 2.95Å; M331-F334 WeakPolarHBondContact O-CB 3.23Å; M331-F334 PolarHBondContact O-N 2.83Å; M331-D335 PolarHBondContact O-N 3.45Å
332	S	36.9	Very low	31.9	Very low	64 Å²	64	90.8 Å²	90.8	45%	0.448	44%	0.439	S	S	.	.	H	α-helix	trans	-68.3	-41.9	177.8	178	0	0	0	0	111.7	M328 R329 Y330 F334 D335 L336	M328-S332 WeakPolarHBondContact O-CA 2.84Å; M328-S332 WeakPolarHBondContact O-CB 3.47Å; M328-S332 PolarHBondContact O-N 3.42Å; R329-S332 PolarHBondContact O-N 3.1Å; Y330-S332 VanDerWaalsContact C-N 3.34Å; Y330-S332 PolarHBondContact O-N 3.24Å; S332-F334 PolarHBondContact O-N 3.18Å; S332-D335 PolarHBondContact O-N 2.87Å; S332-L336 WeakPolarHBondContact O-CB 3.37Å; S332-L336 PolarHBondContact O-N 3.27Å
333	Q	35	Very low	32	Very low	105 Å²	105	87.3 Å²	87.3	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-58.1	-38.7	169.8	-78.9	-177.5	-14.9	0	0	111	R329 Y330 L336 I337	R329-Q333 WeakPolarHBondContact O-CB 2.94Å; R329-Q333 WeakPolarHBondContact O-CG 3.24Å; R329-Q333 PolarHBondContact O-N 3.44Å; Y330-Q333 PolarHBondContact O-N 2.92Å; Q333-L336 PolarHBondContact O-N 3.03Å; Q333-I337 WeakPolarHBondContact O-CD1 3.23Å; Q333-I337 VanDerWaalsContact O-CG1 3.25Å; Q333-I337 WeakPolarHBondContact O-CG1 3.37Å; Q333-I337 PolarHBondContact O-N 3.45Å
334	F	36	Very low	31.7	Very low	73 Å²	73	94.8 Å²	94.8	32%	0.32	45%	0.448	S	S	.	.	H	α-helix	trans	-70.7	-36.3	175.3	-73	-63.8	0	0	0	113.6	Y330 M331 S332 I337 K338	Y330-F334 AromaticContact CD1-CE2 3.77Å; Y330-F334 HydrophobicContact CD1-CE2 3.77Å; Y330-F334 HydrophobicContact CD1-CZ 4.36Å; Y330-F334 WeakPolarHBondContact O-CD2 3.47Å; Y330-F334 WeakPolarHBondContact O-CG 3.43Å; Y330-F334 PolarHBondContact O-N 2.81Å; M331-F334 CarbonylContact O-C 3.54Å; M331-F334 WeakPolarHBondContact O-CA 2.95Å; M331-F334 WeakPolarHBondContact O-CB 3.23Å; M331-F334 PolarHBondContact O-N 2.83Å; S332-F334 PolarHBondContact O-N 3.18Å; F334-I337 HydrophobicContact CD1-CD1 4.18Å; F334-I337 WeakPolarHBondContact O-CB 3.17Å; F334-I337 PolarHBondContact O-N 2.67Å; F334-K338 PolarHBondContact O-N 2.98Å
335	D	31.1	Very low	31.9	Very low	73 Å²	73	95.6 Å²	95.6	39%	0.39	46%	0.458	S	S	.	.	H	α-helix	trans	-72.3	-33	174.2	-71.6	-31.7	0	0	0	111.7	M331 S332 I337 K338 N339	M331-D335 PolarHBondContact O-N 3.45Å; S332-D335 PolarHBondContact O-N 2.87Å; D335-I337 VanDerWaalsContact C-N 3.33Å; D335-I337 PolarHBondContact O-N 2.7Å; D335-K338 WeakPolarHBondContact O-CA 3.41Å; D335-K338 WeakPolarHBondContact O-CB 3.45Å; D335-K338 PolarHBondContact O-N 3.26Å; D335-K338 IonicContact OD1-NZ 3.96Å; D335-N339 PolarHBondContact O-N 3.1Å
336	L	30	Very low	31.8	Very low	90 Å²	90	98.5 Å²	98.5	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-60.4	-40.6	168.7	-110.4	148	0	0	0	111.7	S332 Q333 K338 N339 Y340	S332-L336 WeakPolarHBondContact O-CB 3.37Å; S332-L336 PolarHBondContact O-N 3.27Å; Q333-L336 PolarHBondContact O-N 3.03Å; L336-K338 PolarHBondContact O-N 2.89Å; L336-N339 PolarHBondContact O-N 3.46Å; L336-Y340 HydrophobicContact CD2-CD2 4.08Å; L336-Y340 HydrophobicContact CD2-CE2 4.13Å; L336-Y340 PolarHBondContact O-N 2.98Å
337	I	31.5	Very low	31.6	Very low	87 Å²	87	100.6 Å²	100.6	45%	0.446	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-26.9	173.9	-69.8	164.5	0	0	0	111.8	K22 Q333 F334 D335 A341	K22-I337 VanDerWaalsContact NZ-CG2 3.26Å; K22-I337 PolarHBondContact NZ-O 3.16Å; Q333-I337 WeakPolarHBondContact O-CD1 3.23Å; Q333-I337 VanDerWaalsContact O-CG1 3.25Å; Q333-I337 WeakPolarHBondContact O-CG1 3.37Å; Q333-I337 PolarHBondContact O-N 3.45Å; F334-I337 HydrophobicContact CD1-CD1 4.18Å; F334-I337 WeakPolarHBondContact O-CB 3.17Å; F334-I337 PolarHBondContact O-N 2.67Å; D335-I337 VanDerWaalsContact C-N 3.33Å; D335-I337 PolarHBondContact O-N 2.7Å; I337-A341 WeakPolarHBondContact O-CB 3.3Å
338	K	28.8	Very low	31.5	Very low	99 Å²	99	106.9 Å²	106.9	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-76.3	-46.9	170.3	-78.7	179.5	-180	168.1	0	112	F334 D335 L336 Y340 A341 Q342	F334-K338 PolarHBondContact O-N 2.98Å; D335-K338 WeakPolarHBondContact O-CA 3.41Å; D335-K338 WeakPolarHBondContact O-CB 3.45Å; D335-K338 PolarHBondContact O-N 3.26Å; D335-K338 IonicContact OD1-NZ 3.96Å; L336-K338 PolarHBondContact O-N 2.89Å; K338-Y340 PolarHBondContact O-N 2.76Å; K338-A341 WeakPolarHBondContact O-CA 3.5Å; K338-A341 WeakPolarHBondContact O-CB 3.15Å; K338-A341 PolarHBondContact O-N 2.79Å; K338-Q342 PolarHBondContact O-N 3.38Å
339	N	26.4	Very low	31.2	Very low	98 Å²	98	107.7 Å²	107.7	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-61.7	-42.5	-179.1	-88.4	-18.4	0	0	0	112.1	D335 L336 A341 Q342 I343	D335-N339 PolarHBondContact O-N 3.1Å; L336-N339 PolarHBondContact O-N 3.46Å; N339-A341 PolarHBondContact O-N 2.91Å; N339-Q342 PolarHBondContact O-N 2.76Å; N339-I343 VanDerWaalsContact O-CG1 3.31Å; N339-I343 WeakPolarHBondContact O-CG1 3.18Å; N339-I343 PolarHBondContact O-N 3.06Å; N339-I343 VanDerWaalsContact O-N 3.11Å
340	Y	26.3	Very low	31.3	Very low	177 Å²	177	105 Å²	105	69%	0.694	52%	0.523	S	S	*	.	H	α-helix	trans	-61.7	-30.2	173.4	-101.6	-82.9	0	0	0	113.3	L336 K338 R344	L336-Y340 HydrophobicContact CD2-CD2 4.08Å; L336-Y340 HydrophobicContact CD2-CE2 4.13Å; L336-Y340 PolarHBondContact O-N 2.98Å; K338-Y340 PolarHBondContact O-N 2.76Å; Y340-R344 PolarHBondContact O-N 3.38Å
341	A	26.3	Very low	31.1	Very low	39 Å²	39	107.1 Å²	107.1	32%	0.322	54%	0.54	S	S	.	.	H	α-helix	trans	-79.1	-33.1	178.1	0	0	0	0	0	112.9	I337 K338 N339 R344 S345	I337-A341 WeakPolarHBondContact O-CB 3.3Å; K338-A341 WeakPolarHBondContact O-CA 3.5Å; K338-A341 WeakPolarHBondContact O-CB 3.15Å; K338-A341 PolarHBondContact O-N 2.79Å; N339-A341 PolarHBondContact O-N 2.91Å; A341-R344 PolarHBondContact O-N 3.23Å; A341-S345 PolarHBondContact O-N 3.23Å
342	Q	26.8	Very low	31	Very low	111 Å²	111	116.6 Å²	116.6	52%	0.519	57%	0.573	S	S	.	*	H	α-helix	trans	-69.1	-43.5	177.2	-161.8	160.8	-10.2	0	0	110.9	K338 N339 R344 S345 E346	K338-Q342 PolarHBondContact O-N 3.38Å; N339-Q342 PolarHBondContact O-N 2.76Å; Q342-R344 VanDerWaalsContact C-N 3.29Å; Q342-R344 PolarHBondContact O-N 3.12Å; Q342-S345 PolarHBondContact O-N 3.27Å; Q342-S345 PolarHBondContact O-OG 3.14Å; Q342-E346 PolarHBondContact O-N 3.07Å; Q342-E346 VanDerWaalsContact O-N 3.15Å
343	I	27.7	Very low	30.9	Very low	94 Å²	94	121 Å²	121	48%	0.482	59%	0.591	S	S	.	*	H	α-helix	trans	-60.4	-37.6	174.3	-62	165	0	0	0	111.3	N339 S345 E346 N347	N339-I343 VanDerWaalsContact O-CG1 3.31Å; N339-I343 WeakPolarHBondContact O-CG1 3.18Å; N339-I343 PolarHBondContact O-N 3.06Å; N339-I343 VanDerWaalsContact O-N 3.11Å; I343-S345 VanDerWaalsContact C-N 3.27Å; I343-S345 PolarHBondContact O-N 2.8Å; I343-E346 PolarHBondContact O-N 3.38Å; I343-N347 PolarHBondContact O-N 3.05Å
344	R	27.3	Very low	30.6	Very low	206 Å²	206	124.5 Å²	124.5	78%	0.777	60%	0.604	S	S	*	*	H	α-helix	trans	-67.7	-25.7	176.5	-119.9	-176.4	-173.6	-176	3.3	113.4	Y340 A341 Q342	Y340-R344 PolarHBondContact O-N 3.38Å; A341-R344 PolarHBondContact O-N 3.23Å; Q342-R344 VanDerWaalsContact C-N 3.29Å; Q342-R344 PolarHBondContact O-N 3.12Å
345	S	33.8	Very low	30.4	Very low	75 Å²	75	128.3 Å²	128.3	52%	0.524	63%	0.628	S	S	.	*	H	α-helix	trans	-82.1	-34	177.5	78.4	0	0	0	0	112.7	A341 Q342 I343 N347 Q348	A341-S345 PolarHBondContact O-N 3.23Å; Q342-S345 PolarHBondContact O-N 3.27Å; Q342-S345 PolarHBondContact O-OG 3.14Å; I343-S345 VanDerWaalsContact C-N 3.27Å; I343-S345 PolarHBondContact O-N 2.8Å; S345-N347 VanDerWaalsContact C-N 3.34Å; S345-Q348 PolarHBondContact O-N 3.3Å
346	E	30.8	Very low	30.4	Very low	140 Å²	140	131 Å²	131	65%	0.654	64%	0.642	S	S	*	*	H	α-helix	trans	-70.3	-31.1	177.7	-76.3	176.3	175.3	0	0	112.3	Q342 I343 Q348	Q342-E346 PolarHBondContact O-N 3.07Å; Q342-E346 VanDerWaalsContact O-N 3.15Å; I343-E346 PolarHBondContact O-N 3.38Å; E346-Q348 PolarHBondContact O-N 3.49Å
347	N	30.8	Very low	30.2	Very low	136 Å²	136	136.5 Å²	136.5	73%	0.727	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	2	176.3	-75.4	-18.6	0	0	0	114.5	I343 S345 N349	I343-N347 PolarHBondContact O-N 3.05Å; S345-N347 VanDerWaalsContact C-N 3.34Å; N347-N349 PolarHBondContact O-N 2.82Å
348	Q	33.1	Very low	30.2	Very low	162 Å²	162	138.3 Å²	138.3	76%	0.757	67%	0.672	S	S	*	*	S	Bend	trans	-91.9	93.6	168.3	-73.5	-162.6	-8.1	0	0	110.5	S345 E346	S345-Q348 PolarHBondContact O-N 3.3Å; E346-Q348 PolarHBondContact O-N 3.49Å
349	N	30.2	Very low	30	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	69%	0.692	S	S	*	*			trans	-4.7	109.2	163	-118.1	-29.2	0	0	0	115.1	N347 N351	N347-N349 PolarHBondContact O-N 2.82Å; N349-N351 PolarHBondContact O-N 3.21Å
350	P	37.7	Very low	30.2	Very low	111 Å²	111	138.6 Å²	138.6	72%	0.721	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-71.1	3.4	-172.8	25.7	-32.4	0	0	0	115.3	R352	P350-R352 VanDerWaalsContact C-N 3.28Å; P350-R352 PolarHBondContact O-N 3.15Å; P350-R352 VanDerWaalsContact O-N 3.16Å
351	N	33.5	Very low	30.2	Very low	132 Å²	132	138.4 Å²	138.4	71%	0.706	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-79.6	10.9	-172.5	-87.2	-20.4	0	0	0	116.3	N349	N349-N351 PolarHBondContact O-N 3.21Å
352	R	30.7	Very low	30.2	Very low	242 Å²	242	143.1 Å²	143.1	91%	0.913	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-104.8	3.6	177.1	-93	-172.7	161.7	178.6	-3.7	116.3	P350	P350-R352 VanDerWaalsContact C-N 3.28Å; P350-R352 PolarHBondContact O-N 3.15Å; P350-R352 VanDerWaalsContact O-N 3.16Å
353	L	35.3	Very low	30	Very low	156 Å²	156	148.8 Å²	148.8	82%	0.817	74%	0.737	S	S	*	*	S	Bend	trans	-111.1	15.1	-174.7	-110.7	132.2	0	0	0	115.3
354	K	29.6	Very low	29.9	Very low	178 Å²	178	149.4 Å²	149.4	77%	0.774	75%	0.747	S	S	*	*	S	Bend	trans	-83.4	-15.1	174.6	-76.5	-171.7	176.9	-179.9	0	115.1
355	D	30.3	Very low	30	Very low	154 Å²	154	144 Å²	144	82%	0.824	74%	0.739	S	S	*	*	S	Bend	trans	-103.7	1.9	-171.7	-66.2	-25.6	0	0	0	115.9	K357	D355-K357 PolarHBondContact O-N 3.31Å
356	L	31.6	Very low	29.7	Very low	129 Å²	129	148.5 Å²	148.5	68%	0.675	75%	0.752	S	S	*	*			trans	-99.4	74.1	171.5	-103	82.5	0	0	0	111.1	L358	L356-L358 HydrophobicContact CD2-CD1 3.64Å; L356-L358 HydrophobicContact CG-CD1 4.09Å; L356-L358 PolarHBondContact O-N 2.92Å
357	K	26.1	Very low	29.6	Very low	206 Å²	206	145.9 Å²	145.9	90%	0.896	75%	0.747	S	S	*	*			trans	-69	71.9	153.7	-84	-177.1	175.7	177.8	0	108.9	D355	D355-K357 PolarHBondContact O-N 3.31Å
358	L	32	Very low	29.6	Very low	125 Å²	125	145.6 Å²	145.6	65%	0.654	75%	0.75	S	S	*	*			trans	-98.5	81.8	165.5	-100.6	153.5	0	0	0	107.6	L356 V360	L356-L358 HydrophobicContact CD2-CD1 3.64Å; L356-L358 HydrophobicContact CG-CD1 4.09Å; L356-L358 PolarHBondContact O-N 2.92Å; L358-V360 HydrophobicContact CD2-CG2 3.7Å; L358-V360 PolarHBondContact O-N 3.28Å
359	S	24.3	Very low	29.3	Very low	121 Å²	121	139.7 Å²	139.7	85%	0.846	73%	0.732	S	S	*	*			trans	-69	78.2	163.6	55.1	0	0	0	0	108.7
360	V	31	Very low	29.2	Very low	82 Å²	82	135.9 Å²	135.9	50%	0.497	72%	0.715	S	S	.	*			trans	-108.4	113.2	161.2	-165.5	0	0	0	0	105.2	L358 L362	L358-V360 HydrophobicContact CD2-CG2 3.7Å; L358-V360 PolarHBondContact O-N 3.28Å; V360-L362 HydrophobicContact CB-CD1 4.42Å; V360-L362 HydrophobicContact CB-CG 4.07Å; V360-L362 HydrophobicContact CG1-CD1 4.25Å; V360-L362 HydrophobicContact CG1-CD2 3.88Å; V360-L362 HydrophobicContact CG1-CG 3.63Å; V360-L362 PolarHBondContact O-N 2.7Å
361	N	25.7	Very low	28.5	Very low	172 Å²	172	137.7 Å²	137.7	92%	0.92	71%	0.714	S	S	*	*			trans	-63.3	59.6	170	-83.6	-37.8	0	0	0	110.2	R363	N361-R363 VanDerWaalsContact C-N 3.28Å; N361-R363 PolarHBondContact O-N 2.93Å
362	L	26.8	Very low	28.1	Very low	138 Å²	138	137.1 Å²	137.1	72%	0.723	71%	0.711	S	S	*	*			trans	-77.8	89.5	168.4	-65.2	174.7	0	0	0	105.8	V360 P364	V360-L362 HydrophobicContact CB-CD1 4.42Å; V360-L362 HydrophobicContact CB-CG 4.07Å; V360-L362 HydrophobicContact CG1-CD1 4.25Å; V360-L362 HydrophobicContact CG1-CD2 3.88Å; V360-L362 HydrophobicContact CG1-CG 3.63Å; V360-L362 PolarHBondContact O-N 2.7Å; L362-P364 VanDerWaalsContact O-CD 3.31Å; L362-P364 WeakPolarHBondContact O-CD 3.49Å
363	R	22	Very low	27.8	Very low	231 Å²	231	130 Å²	130	87%	0.872	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-50.4	117.5	156.1	-144.8	179.4	-161.9	164.2	3.3	105.1	N361	N361-R363 VanDerWaalsContact C-N 3.28Å; N361-R363 PolarHBondContact O-N 2.93Å
364	P	26.4	Very low	27.2	Very low	106 Å²	106	130.3 Å²	130.3	69%	0.688	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-56.6	131.8	-179.9	19.8	-29	0	0	0	107.4	L362 E366	L362-P364 VanDerWaalsContact O-CD 3.31Å; L362-P364 WeakPolarHBondContact O-CD 3.49Å; P364-E366 PolarHBondContact O-N 3.05Å
365	P	29.3	Very low	27	Very low	93 Å²	93	127.1 Å²	127.1	60%	0.604	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-55.2	130.4	178.2	20	-29	0	0	0	107.9
366	E	25.9	Very low	26.7	Very low	170 Å²	170	126.2 Å²	126.2	79%	0.794	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-48.8	137.6	-178.1	-72.2	179.6	166	0	0	109.4	P364 V368	P364-E366 PolarHBondContact O-N 3.05Å; E366-V368 PolarHBondContact O-N 3.03Å
367	P	29.7	Very low	26.4	Very low	85 Å²	85	124.7 Å²	124.7	55%	0.552	67%	0.672	S	S	*	*			trans	-61.6	105.9	175.1	25.8	-30.8	0	0	0	106.6	G369	P367-G369 PolarHBondContact O-N 3.04Å
368	V	31.4	Very low	26.4	Very low	130 Å²	130	118.8 Å²	118.8	79%	0.788	66%	0.662	S	S	*	*			trans	-67.5	81.3	161.1	-167.3	0	0	0	0	104.6	E366	E366-V368 PolarHBondContact O-N 3.03Å
369	G	25.4	Very low	26.1	Very low	37 Å²	37	118.3 Å²	118.3	38%	0.381	67%	0.666	S	S	.	*			trans	-55.2	152.8	169.7	0	0	0	0	0	107.6	P367 Q371	P367-G369 PolarHBondContact O-N 3.04Å; G369-Q371 PolarHBondContact O-N 3.18Å
370	C	27.7	Very low	26.4	Very low	56 Å²	56	119 Å²	119	38%	0.378	67%	0.665	S	S	.	*			trans	-44.5	101.8	174.3	-49.8	0	0	0	0	108.9	I5 L372	I5-C370 HydrophobicContact CD1-CB 3.99Å; I5-C370 WeakPolarHBondContact CD1-SG 2.86Å; C370-L372 PolarHBondContact O-N 3.41Å
371	Q	24.4	Very low	26.3	Very low	148 Å²	148	120.9 Å²	120.9	69%	0.692	68%	0.676	S	S	*	*			trans	-71	92.6	163.2	-108.4	174.2	-10.6	0	0	103.7	G369 L373	G369-Q371 PolarHBondContact O-N 3.18Å; Q371-L373 PolarHBondContact O-N 3.27Å
372	L	24.5	Very low	26.6	Very low	121 Å²	121	122.8 Å²	122.8	63%	0.634	68%	0.677	S	S	*	*			trans	-56.6	94.8	153	-89.1	153.3	0	0	0	104.6	C370 Q374	C370-L372 PolarHBondContact O-N 3.41Å; L372-Q374 PolarHBondContact O-N 3.18Å
373	L	24.4	Very low	26.7	Very low	92 Å²	92	119 Å²	119	48%	0.482	67%	0.671	S	S	.	*			trans	-63.5	89	162.4	-81.3	162.9	0	0	0	105	Q371 M375	Q371-L373 PolarHBondContact O-N 3.27Å; L373-M375 HydrophobicContact CB-CG 4.49Å; L373-M375 PolarHBondContact O-N 3.5Å
374	Q	23.4	Very low	27.3	Very low	163 Å²	163	120.1 Å²	120.1	76%	0.762	69%	0.693	S	S	*	*			trans	-64.9	82.3	159.3	-172.8	174.4	0.1	0	0	105.2	L372 N376	L372-Q374 PolarHBondContact O-N 3.18Å; Q374-N376 VanDerWaalsContact C-N 3.28Å; Q374-N376 PolarHBondContact O-N 2.95Å
375	M	25.1	Very low	27.4	Very low	110 Å²	110	120.9 Å²	120.9	54%	0.542	69%	0.693	S	S	.	*			trans	-64.4	102.5	164.7	-74.2	-175.1	68.9	0	0	104.6	N65 L373 S377	N65-M375 PolarHBondContact ND2-O 3.22Å; L373-M375 HydrophobicContact CB-CG 4.49Å; L373-M375 PolarHBondContact O-N 3.5Å; M375-S377 PolarHBondContact O-N 3.05Å; M375-S377 VanDerWaalsContact O-N 3.08Å
376	N	23.7	Very low	27.3	Very low	135 Å²	135	122.3 Å²	122.3	72%	0.722	70%	0.698	S	S	*	*			trans	-48.4	121.6	170	-69.5	-30.6	0	0	0	106.5	Q374 A378	Q374-N376 VanDerWaalsContact C-N 3.28Å; Q374-N376 PolarHBondContact O-N 2.95Å; N376-A378 PolarHBondContact O-N 3.33Å
377	S	25.3	Very low	27.4	Very low	97 Å²	97	119.7 Å²	119.7	68%	0.678	69%	0.693	S	S	*	*			trans	-43.1	115.2	171.1	-31.6	0	0	0	0	106.7	M375 P379	M375-S377 PolarHBondContact O-N 3.05Å; M375-S377 VanDerWaalsContact O-N 3.08Å; S377-P379 WeakPolarHBondContact O-CD 3.4Å
378	A	25.7	Very low	27.2	Very low	83 Å²	83	121.7 Å²	121.7	69%	0.686	70%	0.701	S	S	*	*			trans	-53	123.4	166.4	0	0	0	0	0	105.1	N376 V380	N376-A378 PolarHBondContact O-N 3.33Å; A378-V380 PolarHBondContact O-N 3.18Å
379	P	25.7	Very low	27	Very low	114 Å²	114	121.2 Å²	121.2	74%	0.74	70%	0.695	S	S	*	*			trans	-56.4	118.4	-179.2	20.2	-29.2	0	0	0	106.3	S377 T381	S377-P379 WeakPolarHBondContact O-CD 3.4Å; P379-T381 PolarHBondContact O-N 3.26Å
380	V	31.4	Very low	27.1	Very low	137 Å²	137	126.8 Å²	126.8	83%	0.83	72%	0.716	S	S	*	*			trans	-58.1	102.1	167.5	-177.5	0	0	0	0	104.1	A378 K382	A378-V380 PolarHBondContact O-N 3.18Å; V380-K382 VanDerWaalsContact C-N 3.32Å; V380-K382 PolarHBondContact O-N 3.46Å
381	T	29.2	Very low	27	Very low	120 Å²	120	131.9 Å²	131.9	74%	0.736	74%	0.741	S	S	*	*			trans	-58.2	101.5	173.5	37.4	0	0	0	0	106.5	P379 G383	P379-T381 PolarHBondContact O-N 3.26Å; T381-G383 PolarHBondContact O-N 3.2Å; T381-G383 VanDerWaalsContact O-N 3.15Å
382	K	32.3	Very low	27.2	Very low	213 Å²	213	130.6 Å²	130.6	93%	0.926	74%	0.744	S	S	*	*			trans	-66.6	101.7	155.3	-78	-174.4	175	-177.3	0	106.1	V380	V380-K382 VanDerWaalsContact C-N 3.32Å; V380-K382 PolarHBondContact O-N 3.46Å
383	G	28	Very low	27.4	Very low	59 Å²	59	131.4 Å²	131.4	61%	0.608	75%	0.754	S	S	*	*			trans	169.3	117.3	172.4	0	0	0	0	0	107.6	T381	T381-G383 PolarHBondContact O-N 3.2Å; T381-G383 VanDerWaalsContact O-N 3.15Å
384	L	35.4	Very low	27.7	Very low	254 Å²	254	135 Å²	135	100%	1.33	78%	0.778	S	S	*	*			cis	-141.2	0	17.7	-91.9	140	0	0	0	109.5

Retrieved 384 of 384 residues in 111.9 ms (Link to these results)

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