A0A3Q0KLN3_SCHMA Loading...

FDF domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 528 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	51.4	Low	65.6	Low	173 Å²	173	101.7 Å²	101.7	85%	0.852	49%	0.492	S	S	*	.				0	-46.7	0	-85.8	58	166	0	0	113.8	K3 I4	M1-K3 PolarHBondContact O-N 3.21Å; M1-I4 PolarHBondContact O-N 2.67Å
2	N	57.8	Low	67	Low	134 Å²	134	101.2 Å²	101.2	72%	0.717	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-5.4	-149.9	-48	27.4	0	0	0	118.8
3	K	63.7	Low	68.7	Low	183 Å²	183	102.3 Å²	102.3	80%	0.796	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-51	174.7	-72.6	-170.7	176.2	-175.7	0	112.1	M1 K6 Q7	M1-K3 PolarHBondContact O-N 3.21Å; K3-K6 PolarHBondContact O-N 3.36Å; K3-Q7 PolarHBondContact O-N 2.88Å
4	I	66.8	Low	70	Confident	25 Å²	25	97.9 Å²	97.9	13%	0.128	50%	0.501	C	S	.	.	H	α-helix	trans	-65.5	-44.9	-174.4	-57	174.4	0	0	0	110.7	M1 K6 Q7 L8 I87 I90 D91 M93	M1-I4 PolarHBondContact O-N 2.67Å; I4-K6 PolarHBondContact O-N 3.05Å; I4-K6 VanDerWaalsContact O-N 3.14Å; I4-Q7 WeakPolarHBondContact O-CA 3.37Å; I4-Q7 WeakPolarHBondContact O-CB 3.14Å; I4-Q7 PolarHBondContact O-N 3.01Å; I4-L8 PolarHBondContact O-N 2.59Å; I4-I87 HydrophobicContact CG2-CG2 3.92Å; I4-I90 HydrophobicContact CD1-CB 4.49Å; I4-I90 HydrophobicContact CD1-CG2 4.36Å; I4-D91 WeakPolarHBondContact CD1-O 3.28Å; I4-M93 HydrophobicContact CG2-CE 3.74Å; I4-M93 HydrophobicContact CG2-SD 4.2Å
5	N	62.1	Low	71.3	Confident	62 Å²	62	94.6 Å²	94.6	33%	0.332	48%	0.484	S	S	.	.	H	α-helix	trans	-58.9	-30	-179.8	-61.3	41.4	0	0	0	112.9
6	K	64.6	Low	72.6	Confident	156 Å²	156	92.6 Å²	92.6	68%	0.678	47%	0.47	S	S	*	.	H	α-helix	trans	-73.9	-26.4	174.1	-73.1	-171.2	174.1	-164.7	0	113.5	K3 I4	K3-K6 PolarHBondContact O-N 3.36Å; I4-K6 PolarHBondContact O-N 3.05Å; I4-K6 VanDerWaalsContact O-N 3.14Å
7	Q	68.7	Low	73.8	Confident	76 Å²	76	87.1 Å²	87.1	36%	0.355	44%	0.443	S	S	.	.	H	α-helix	trans	-76.3	-35.2	176.4	-64.2	176.7	-61.9	0	0	111.6	K3 I4 N9 Q10	K3-Q7 PolarHBondContact O-N 2.88Å; I4-Q7 WeakPolarHBondContact O-CA 3.37Å; I4-Q7 WeakPolarHBondContact O-CB 3.14Å; I4-Q7 PolarHBondContact O-N 3.01Å; Q7-N9 VanDerWaalsContact C-N 3.29Å; Q7-N9 PolarHBondContact O-N 3.33Å; Q7-Q10 WeakPolarHBondContact O-CA 3.34Å; Q7-Q10 WeakPolarHBondContact O-CB 3.4Å; Q7-Q10 PolarHBondContact O-N 3.11Å
8	L	68.9	Low	74.8	Confident	8 Å²	8	83.7 Å²	83.7	4%	0.042	43%	0.426	C	S	.	.	H	α-helix	trans	-58.1	-39.4	-179.7	-65.6	172.2	0	0	0	113	I4 Q10 L11 I41 I87 M93	I4-L8 PolarHBondContact O-N 2.59Å; L8-Q10 PolarHBondContact O-N 2.92Å; L8-L11 HydrophobicContact CD2-CD1 3.9Å; L8-L11 PolarHBondContact O-N 3.16Å; L8-I41 HydrophobicContact CD2-CD1 4.37Å; L8-I87 HydrophobicContact CD1-CD1 3.24Å; L8-I87 HydrophobicContact CD1-CG1 3.79Å; L8-I87 HydrophobicContact CD1-CG2 4.19Å; L8-M93 HydrophobicContact CD2-CE 3.86Å; L8-M93 HydrophobicContact CD2-SD 3.93Å
9	N	66.4	Low	75.8	Confident	131 Å²	131	79.3 Å²	79.3	70%	0.701	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-5.4	176.8	-65.2	14.9	0	0	0	113.5	Q7	Q7-N9 VanDerWaalsContact C-N 3.29Å; Q7-N9 PolarHBondContact O-N 3.33Å
10	Q	72.5	Confident	76.6	Confident	154 Å²	154	76 Å²	76	72%	0.72	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	2.7	176	-57.4	-178.1	-23.4	0	0	112.7	Q7 L8	Q7-Q10 WeakPolarHBondContact O-CA 3.34Å; Q7-Q10 WeakPolarHBondContact O-CB 3.4Å; Q7-Q10 PolarHBondContact O-N 3.11Å; L8-Q10 PolarHBondContact O-N 2.92Å
11	L	78.2	Confident	77.4	Confident	17 Å²	17	73 Å²	73	9%	0.089	37%	0.372	C	S	.	.			trans	-95	103.2	-177.9	-66.4	-177.4	0	0	0	111.8	L8 L17 I31 I34 I41 M93 P95	L8-L11 HydrophobicContact CD2-CD1 3.9Å; L8-L11 PolarHBondContact O-N 3.16Å; L11-L17 HydrophobicContact CD1-CD1 4.21Å; L11-L17 HydrophobicContact CD2-CD1 3.96Å; L11-I31 HydrophobicContact CB-CD1 3.77Å; L11-I31 HydrophobicContact CD1-CD1 3.83Å; L11-I31 HydrophobicContact CD2-CD1 4.12Å; L11-I31 HydrophobicContact CG-CD1 4.12Å; L11-I34 HydrophobicContact CB-CD1 3.84Å; L11-I34 WeakPolarHBondContact O-CD1 3.17Å; L11-I41 HydrophobicContact CD1-CD1 3.93Å; L11-M93 HydrophobicContact CD1-SD 3.83Å; L11-P95 HydrophobicContact CD2-CB 4.17Å; L11-P95 HydrophobicContact CD2-CG 4.28Å
12	T	82.6	Confident	79.2	Confident	95 Å²	95	71 Å²	71	58%	0.583	36%	0.358	S	S	*	.			trans	-69.2	142.5	169.7	-36.2	0	0	0	0	111.2	I15	T12-I15 WeakPolarHBondContact O-CB 3.19Å; T12-I15 PolarHBondContact O-N 2.94Å
13	I	89.1	Confident	80.7	Confident	116 Å²	116	67.1 Å²	67.1	60%	0.595	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	146.2	168.7	-59.9	171.8	0	0	0	109.3	I15	I13-I15 VanDerWaalsContact C-N 3.32Å; I13-I15 PolarHBondContact O-N 3.37Å
14	G	87	Confident	81.9	Confident	41 Å²	41	62.7 Å²	62.7	42%	0.423	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-32.9	-176	0	0	0	0	0	114	K16 I31	G14-K16 PolarHBondContact O-N 3.2Å; G14-I31 PolarHBondContact N-O 3.4Å
15	I	89.5	Confident	83.1	Confident	48 Å²	48	64.5 Å²	64.5	25%	0.246	33%	0.331	C	S	.	.			trans	-58.8	135.4	-177.2	-65.3	179	0	0	0	111.1	T12 I13 L17 S30 I31 P95	T12-I15 WeakPolarHBondContact O-CB 3.19Å; T12-I15 PolarHBondContact O-N 2.94Å; I13-I15 VanDerWaalsContact C-N 3.32Å; I13-I15 PolarHBondContact O-N 3.37Å; I15-L17 PolarHBondContact O-N 2.85Å; I15-S30 WeakPolarHBondContact O-CA 3.3Å; I15-I31 WeakPolarHBondContact O-CG1 3.29Å; I15-I31 PolarHBondContact O-N 2.99Å; I15-P95 HydrophobicContact CG2-CB 3.66Å
16	K	92.9	Very high	84.5	Confident	62 Å²	62	62.3 Å²	62.3	27%	0.27	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124	171.8	-159.4	-178.7	-158	-162.4	0	110.6	G14 E28 L96 E98	G14-K16 PolarHBondContact O-N 3.2Å; K16-E28 VanDerWaalsContact CE-OE1 3.3Å; K16-E28 WeakPolarHBondContact CE-OE1 3.28Å; K16-E28 IonicContact NZ-OE1 2.65Å; K16-E28 PolarHBondContact NZ-OE1 3.22Å; K16-L96 HydrophobicContact CB-CB 4.16Å; K16-L96 HydrophobicContact CD-CD2 4.12Å; K16-L96 PolarHBondContact O-N 3.31Å; K16-E98 HydrophobicContact CB-CG 4.25Å; K16-E98 WeakPolarHBondContact CB-OE1 3.41Å
17	L	91.8	Very high	85.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.4	179.7	-166.7	75.4	0	0	0	110	L11 I15 L19 E28 G29 I31 I41 L43 M93 W94	L11-L17 HydrophobicContact CD1-CD1 4.21Å; L11-L17 HydrophobicContact CD2-CD1 3.96Å; I15-L17 PolarHBondContact O-N 2.85Å; L17-L19 HydrophobicContact CD2-CD1 4.47Å; L17-E28 WeakPolarHBondContact O-CA 3.3Å; L17-G29 PolarHBondContact N-O 3.3Å; L17-G29 PolarHBondContact O-N 3.36Å; L17-I31 HydrophobicContact CB-CD1 4.23Å; L17-I31 HydrophobicContact CB-CG1 4.03Å; L17-I31 HydrophobicContact CD1-CD1 4.32Å; L17-I31 HydrophobicContact CD2-CD1 4.43Å; L17-I31 HydrophobicContact CD2-CG1 4.46Å; L17-I41 HydrophobicContact CD2-CD1 3.91Å; L17-L43 HydrophobicContact CB-CD1 4.48Å; L17-L43 HydrophobicContact CB-CD2 4.13Å; L17-L43 HydrophobicContact CD2-CD1 4.35Å; L17-L43 HydrophobicContact CD2-CD2 4Å; L17-M93 HydrophobicContact CD1-CB 4.28Å; L17-M93 HydrophobicContact CD2-CB 4.33Å; L17-M93 HydrophobicContact CG-CB 4.48Å; L17-W94 WeakPolarHBondContact CD1-O 3.48Å
18	L	93.2	Very high	87.1	Confident	26 Å²	26	54.1 Å²	54.1	14%	0.136	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.3	162.2	176.5	48.5	0	0	0	108.6	Y27 E28 L49 M93 W94 L96	L18-Y27 WeakPolarHBondContact CA-O 3.09Å; L18-Y27 WeakPolarHBondContact CD1-O 3.37Å; L18-E28 HydrophobicContact CD1-CB 4.41Å; L18-L49 HydrophobicContact CD1-CD1 3.65Å; L18-L49 HydrophobicContact CD2-CD1 4.48Å; L18-M93 WeakPolarHBondContact O-CA 3.37Å; L18-W94 HydrophobicContact CB-CD2 4.38Å; L18-W94 HydrophobicContact CB-CZ2 4.24Å; L18-W94 HydrophobicContact CD2-CH2 4.36Å; L18-W94 HydrophobicContact CD2-CZ2 3.38Å; L18-W94 HydrophobicContact CG-CD2 4.43Å; L18-W94 HydrophobicContact CG-CH2 4.12Å; L18-W94 HydrophobicContact CG-CZ2 3.48Å; L18-W94 VanDerWaalsContact CG-CZ2 3.48Å; L18-W94 PolarHBondContact N-O 3.39Å; L18-W94 PolarHBondContact O-N 3.13Å; L18-L96 HydrophobicContact CB-CD1 3.39Å; L18-L96 HydrophobicContact CD2-CD1 4.4Å
19	L	92	Very high	88.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.2	-163.9	-177.9	69.9	0	0	0	110.4	L17 H26 Y27 L43 F85 I90 M93	L17-L19 HydrophobicContact CD2-CD1 4.47Å; L19-H26 CarbonylContact O-C 3.4Å; L19-H26 WeakPolarHBondContact O-CA 3.32Å; L19-Y27 PolarHBondContact N-O 3Å; L19-Y27 PolarHBondContact O-N 3.29Å; L19-L43 HydrophobicContact CD2-CD1 4.26Å; L19-F85 HydrophobicContact CD2-CB 4.18Å; L19-F85 HydrophobicContact CD2-CD1 3.7Å; L19-F85 HydrophobicContact CD2-CD2 3.51Å; L19-F85 HydrophobicContact CD2-CE1 3.86Å; L19-F85 HydrophobicContact CD2-CE2 3.67Å; L19-F85 HydrophobicContact CD2-CG 3.51Å; L19-F85 HydrophobicContact CD2-CZ 3.85Å; L19-I90 HydrophobicContact CD1-CB 4.23Å; L19-I90 HydrophobicContact CD1-CD1 3.79Å; L19-I90 HydrophobicContact CD1-CG1 3.85Å; L19-I90 HydrophobicContact CD1-CG2 3.43Å; L19-I90 VanDerWaalsContact CD1-CG2 3.43Å; L19-M93 HydrophobicContact CD1-CB 3.89Å; L19-M93 HydrophobicContact CD1-CE 4.28Å
20	I	92.1	Very high	89.7	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.4	167.7	-60	-174	0	0	0	108.4	D91 Q92 W94	I20-D91 PolarHBondContact O-N 2.98Å; I20-Q92 HydrophobicContact CB-CB 4.27Å; I20-Q92 PolarHBondContact N-O 3.09Å; I20-Q92 PolarHBondContact O-N 3.03Å; I20-W94 HydrophobicContact CD1-CH2 3.74Å; I20-W94 HydrophobicContact CD1-CZ3 3.84Å; I20-W94 HydrophobicContact CG1-CH2 3.97Å; I20-W94 HydrophobicContact CG1-CZ3 3.92Å
21	T	93.2	Very high	90.7	Very high	14 Å²	14	42 Å²	42	9%	0.086	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	161.2	171.7	59.8	0	0	0	0	111.4	A23 K24 Y25 Y27 F85 C89	T21-A23 PolarHBondContact O-N 3.31Å; T21-A23 VanDerWaalsContact O-N 3.12Å; T21-K24 VanDerWaalsContact O-CA 3.3Å; T21-K24 WeakPolarHBondContact O-CA 3.39Å; T21-K24 PolarHBondContact O-N 3.41Å; T21-Y25 PolarHBondContact N-O 3.45Å; T21-Y25 WeakPolarHBondContact OG1-CB 3.36Å; T21-Y25 PolarHBondContact OG1-N 3.45Å; T21-Y25 PolarHBondContact OG1-O 2.98Å; T21-Y25 VanDerWaalsContact OG1-O 3.06Å; T21-Y27 HydrophobicContact CG2-CD2 3.95Å; T21-Y27 HydrophobicContact CG2-CE2 3.73Å; T21-F85 HydrophobicContact CG2-CD1 4.12Å; T21-F85 HydrophobicContact CG2-CE1 4Å; T21-C89 WeakPolarHBondContact CA-O 3.25Å
22	K	90.8	Very high	91.5	Very high	131 Å²	131	44.3 Å²	44.3	57%	0.57	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.8	175.1	-71.8	-179.7	175.2	173.3	0	114.5	K24 S88 C89 I90 D91	K22-K24 PolarHBondContact O-N 3.28Å; K22-S88 VanDerWaalsContact CE-O 3.27Å; K22-S88 WeakPolarHBondContact CE-O 3.25Å; K22-S88 PolarHBondContact NZ-O 3.16Å; K22-C89 PolarHBondContact N-O 2.84Å; K22-I90 WeakPolarHBondContact CE-O 3.41Å; K22-D91 HydrophobicContact CG-CB 4.18Å
23	A	89.1	Confident	92	Very high	53 Å²	53	45.4 Å²	45.4	44%	0.438	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	16.6	170.8	0	0	0	0	0	113	T21 Y25 Y51	T21-A23 PolarHBondContact O-N 3.31Å; T21-A23 VanDerWaalsContact O-N 3.12Å; A23-Y25 HydrophobicContact CB-CD2 3.68Å; A23-Y25 HydrophobicContact CB-CE2 3.82Å; A23-Y25 PolarHBondContact O-N 3.46Å; A23-Y51 VanDerWaalsContact O-CD2 3.24Å; A23-Y51 WeakPolarHBondContact O-CD2 3.45Å; A23-Y51 WeakPolarHBondContact O-CE2 3.44Å
24	K	87.7	Confident	92.1	Very high	90 Å²	90	41.9 Å²	41.9	39%	0.391	22%	0.219	S	C	.	.			trans	50.8	20.1	-174.2	-52.2	-164.7	-179.5	-165.1	0	116.3	T21 K22 H26 Y51 D52	T21-K24 VanDerWaalsContact O-CA 3.3Å; T21-K24 WeakPolarHBondContact O-CA 3.39Å; T21-K24 PolarHBondContact O-N 3.41Å; K22-K24 PolarHBondContact O-N 3.28Å; K24-H26 PolarHBondContact O-CD2 2.89Å; K24-Y51 HydrophobicContact CB-CD2 3.92Å; K24-Y51 HydrophobicContact CB-CE2 3.67Å; K24-Y51 HydrophobicContact CD-CE2 4.44Å; K24-Y51 HydrophobicContact CG-CE2 4.3Å; K24-Y51 WeakPolarHBondContact O-CA 3.49Å; K24-D52 VanDerWaalsContact CD-CG 3.46Å; K24-D52 WeakPolarHBondContact CD-OD2 3.47Å; K24-D52 WeakPolarHBondContact CE-OD2 3.32Å; K24-D52 IonicContact NZ-OD1 3.34Å; K24-D52 PolarHBondContact NZ-OD1 2.87Å; K24-D52 IonicContact NZ-OD2 2.66Å; K24-D52 PolarHBondContact NZ-OD2 3.39Å; K24-D52 PolarHBondContact O-N 3.01Å
25	Y	91.9	Very high	92.2	Very high	62 Å²	62	41.2 Å²	41.2	24%	0.243	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.8	171.2	-64.6	-55.6	0	0	0	110.6	T21 A23 F48 G50 Y51 I73	T21-Y25 PolarHBondContact N-O 3.45Å; T21-Y25 WeakPolarHBondContact OG1-CB 3.36Å; T21-Y25 PolarHBondContact OG1-N 3.45Å; T21-Y25 PolarHBondContact OG1-O 2.98Å; T21-Y25 VanDerWaalsContact OG1-O 3.06Å; A23-Y25 HydrophobicContact CB-CD2 3.68Å; A23-Y25 HydrophobicContact CB-CE2 3.82Å; A23-Y25 PolarHBondContact O-N 3.46Å; Y25-F48 AromaticContact CD1-CE2 3.64Å; Y25-F48 HydrophobicContact CD1-CE2 3.64Å; Y25-F48 AromaticContact CD1-CZ 3.72Å; Y25-F48 HydrophobicContact CD1-CZ 3.72Å; Y25-F48 HydrophobicContact CE1-CE2 4.44Å; Y25-F48 HydrophobicContact CE1-CZ 4.21Å; Y25-F48 AromaticContact CG-CE2 3.93Å; Y25-F48 HydrophobicContact CG-CE2 3.93Å; Y25-F48 HydrophobicContact CG-CZ 4.47Å; Y25-G50 WeakPolarHBondContact CA-O 3.29Å; Y25-Y51 HydrophobicContact CD1-CD2 4.12Å; Y25-Y51 AromaticContact CE1-CD2 3.92Å; Y25-Y51 HydrophobicContact CE1-CD2 3.92Å; Y25-Y51 HydrophobicContact CE1-CG 4.39Å; Y25-I73 HydrophobicContact CE1-CG2 4Å
26	H	92.2	Very high	92.1	Very high	17 Å²	17	44 Å²	44	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.1	-177.2	-64.4	-170.4	0	0	0	110.4	L19 K24 L49 G50 H53	L19-H26 CarbonylContact O-C 3.4Å; L19-H26 WeakPolarHBondContact O-CA 3.32Å; K24-H26 PolarHBondContact O-CD2 2.89Å; H26-L49 HydrophobicContact CB-CB 3.87Å; H26-L49 HydrophobicContact CB-CD1 4.49Å; H26-L49 PolarHBondContact O-N 2.93Å; H26-G50 PolarHBondContact N-O 3.33Å; H26-H53 AromaticContact CE1-CD2 3.59Å; H26-H53 AromaticContact CE1-CE1 3.61Å; H26-H53 AromaticContact CE1-CG 3.89Å; H26-H53 AromaticContact CE1-ND1 3.89Å; H26-H53 AromaticContact CE1-NE2 3.4Å; H26-H53 PolarHBondContact CE1-NE2 2.84Å
27	Y	94.4	Very high	91.9	Very high	32 Å²	32	48.6 Å²	48.6	13%	0.125	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.5	-178.9	-63.1	-93.9	0	0	0	111.6	L18 L19 T21 V46 K47 F48 I83 F85	L18-Y27 WeakPolarHBondContact CA-O 3.09Å; L18-Y27 WeakPolarHBondContact CD1-O 3.37Å; L19-Y27 PolarHBondContact N-O 3Å; L19-Y27 PolarHBondContact O-N 3.29Å; T21-Y27 HydrophobicContact CG2-CD2 3.95Å; T21-Y27 HydrophobicContact CG2-CE2 3.73Å; Y27-V46 HydrophobicContact CD1-CG1 4.1Å; Y27-V46 HydrophobicContact CG-CG1 4.47Å; Y27-K47 WeakPolarHBondContact CA-O 2.82Å; Y27-F48 HydrophobicContact CD1-CB 4.48Å; Y27-F48 HydrophobicContact CD1-CD2 4.16Å; Y27-F48 HydrophobicContact CE1-CB 4.43Å; Y27-F48 AromaticContact CE1-CD2 3.63Å; Y27-F48 HydrophobicContact CE1-CD2 3.63Å; Y27-F48 HydrophobicContact CE1-CE2 4.46Å; Y27-F48 AromaticContact CZ-CD2 3.81Å; Y27-I83 HydrophobicContact CD1-CD1 4.16Å; Y27-I83 HydrophobicContact CE1-CD1 4.1Å; Y27-F85 HydrophobicContact CD1-CE1 4.44Å; Y27-F85 AromaticContact CD1-CZ 3.82Å; Y27-F85 HydrophobicContact CD1-CZ 3.82Å; Y27-F85 AromaticContact CD2-CE1 3.84Å; Y27-F85 HydrophobicContact CD2-CE1 3.84Å; Y27-F85 AromaticContact CD2-CZ 3.85Å; Y27-F85 HydrophobicContact CD2-CZ 3.85Å; Y27-F85 HydrophobicContact CE1-CE1 4.47Å; Y27-F85 HydrophobicContact CE1-CZ 4.18Å; Y27-F85 AromaticContact CE2-CE1 3.89Å; Y27-F85 HydrophobicContact CE2-CE1 3.89Å; Y27-F85 HydrophobicContact CE2-CZ 4.22Å; Y27-F85 HydrophobicContact CG-CE1 4.12Å; Y27-F85 AromaticContact CG-CZ 3.64Å; Y27-F85 HydrophobicContact CG-CZ 3.64Å
28	E	94	Very high	91.8	Very high	27 Å²	27	53.9 Å²	53.9	13%	0.126	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.1	-179	173.3	-174.9	-157.4	0	0	109.6	K16 L17 L18 V46 K47 L49	K16-E28 VanDerWaalsContact CE-OE1 3.3Å; K16-E28 WeakPolarHBondContact CE-OE1 3.28Å; K16-E28 IonicContact NZ-OE1 2.65Å; K16-E28 PolarHBondContact NZ-OE1 3.22Å; L17-E28 WeakPolarHBondContact O-CA 3.3Å; L18-E28 HydrophobicContact CD1-CB 4.41Å; E28-V46 CarbonylContact O-C 3.52Å; E28-V46 WeakPolarHBondContact O-CA 3.04Å; E28-K47 HydrophobicContact CB-CB 4.44Å; E28-K47 PolarHBondContact N-O 2.76Å; E28-K47 PolarHBondContact O-N 3.38Å; E28-K47 IonicContact OE2-NZ 2.97Å; E28-K47 PolarHBondContact OE2-NZ 3.2Å; E28-L49 HydrophobicContact CB-CD1 4.01Å; E28-L49 HydrophobicContact CB-CG 4.33Å
29	G	94.6	Very high	91.7	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	160.6	-179.1	0	0	0	0	0	114.6	L17	L17-G29 PolarHBondContact N-O 3.3Å; L17-G29 PolarHBondContact O-N 3.36Å
30	S	94.4	Very high	91.7	Very high	35 Å²	35	56.4 Å²	56.4	25%	0.245	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.6	-174	-61.7	0	0	0	0	112.7	I15 T32 L43 K44	I15-S30 WeakPolarHBondContact O-CA 3.3Å; S30-T32 PolarHBondContact O-N 3.29Å; S30-T32 PolarHBondContact O-OG1 3.02Å; S30-L43 CarbonylContact O-C 3.57Å; S30-L43 WeakPolarHBondContact O-CA 3.41Å; S30-K44 PolarHBondContact N-O 3.02Å; S30-K44 PolarHBondContact O-N 3.37Å
31	I	94.3	Very high	91.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.5	-177.3	-58.8	172.1	0	0	0	110.1	L11 G14 I15 L17 I34 I41 L43	L11-I31 HydrophobicContact CB-CD1 3.77Å; L11-I31 HydrophobicContact CD1-CD1 3.83Å; L11-I31 HydrophobicContact CD2-CD1 4.12Å; L11-I31 HydrophobicContact CG-CD1 4.12Å; G14-I31 PolarHBondContact N-O 3.4Å; I15-I31 WeakPolarHBondContact O-CG1 3.29Å; I15-I31 PolarHBondContact O-N 2.99Å; L17-I31 HydrophobicContact CB-CD1 4.23Å; L17-I31 HydrophobicContact CB-CG1 4.03Å; L17-I31 HydrophobicContact CD1-CD1 4.32Å; L17-I31 HydrophobicContact CD2-CD1 4.43Å; L17-I31 HydrophobicContact CD2-CG1 4.46Å; I31-I34 HydrophobicContact CG2-CD1 4.12Å; I31-I34 HydrophobicContact CG2-CG1 3.82Å; I31-I41 HydrophobicContact CD1-CD1 4.19Å; I31-I41 HydrophobicContact CG1-CD1 4.19Å; I31-I41 HydrophobicContact CG2-CD1 4.39Å; I31-I41 HydrophobicContact CG2-CG1 4.45Å; I31-L43 HydrophobicContact CB-CD2 4.28Å; I31-L43 HydrophobicContact CG1-CD2 3.62Å
32	T	94.3	Very high	91.9	Very high	67 Å²	67	56.2 Å²	56.2	41%	0.411	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-38.9	-179.5	-60.8	0	0	0	0	112.7	S30 T42 K44	S30-T32 PolarHBondContact O-N 3.29Å; S30-T32 PolarHBondContact O-OG1 3.02Å; T32-T42 PolarHBondContact N-O 3.11Å; T32-K44 WeakPolarHBondContact OG1-CB 3.34Å
33	K	92.7	Very high	92.1	Very high	118 Å²	118	50 Å²	50	51%	0.513	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	133.7	175.9	-174.5	-178.5	179.8	-173.8	0	109.7	T42	K33-T42 PolarHBondContact N-O 3.27Å; K33-T42 PolarHBondContact O-N 3.34Å
34	I	91.2	Very high	92.4	Very high	42 Å²	42	52.6 Å²	52.6	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.7	166	-58.2	174.8	0	0	0	106.3	L11 I31 L36 I41	L11-I34 HydrophobicContact CB-CD1 3.84Å; L11-I34 WeakPolarHBondContact O-CD1 3.17Å; I31-I34 HydrophobicContact CG2-CD1 4.12Å; I31-I34 HydrophobicContact CG2-CG1 3.82Å; I34-L36 HydrophobicContact CG2-CD2 3.87Å; I34-L36 HydrophobicContact CG2-CG 4.44Å; I34-I41 HydrophobicContact CG1-CD1 4.3Å; I34-I41 HydrophobicContact CG1-CG1 4.22Å
35	N	90.6	Very high	92.7	Very high	26 Å²	26	53 Å²	53	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	103.7	174.2	-168.5	-13.8	0	0	0	109.4	I37 E38 N39 T40	N35-I37 VanDerWaalsContact C-N 3.29Å; N35-I37 PolarHBondContact O-N 3.31Å; N35-I37 WeakPolarHBondContact OD1-CB 3.5Å; N35-I37 PolarHBondContact OD1-N 3.19Å; N35-I37 VanDerWaalsContact OD1-N 3.09Å; N35-E38 HydrophobicContact CB-CB 4.27Å; N35-E38 VanDerWaalsContact ND2-CG 3.29Å; N35-E38 WeakPolarHBondContact ND2-CG 3.48Å; N35-E38 PolarHBondContact ND2-OE1 2.91Å; N35-E38 PolarHBondContact ND2-OE2 2.9Å; N35-E38 PolarHBondContact OD1-N 3.24Å; N35-N39 WeakPolarHBondContact O-CA 3.31Å; N35-N39 PolarHBondContact O-N 3.04Å; N35-N39 VanDerWaalsContact O-N 3.09Å; N35-T40 WeakPolarHBondContact CB-OG1 3.42Å; N35-T40 PolarHBondContact N-O 3.12Å; N35-T40 PolarHBondContact O-N 2.68Å
36	L	87.3	Confident	92.9	Very high	107 Å²	107	50 Å²	50	56%	0.56	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.7	-179.4	-59.2	178.3	0	0	0	112.4	I34 N39	I34-L36 HydrophobicContact CG2-CD2 3.87Å; I34-L36 HydrophobicContact CG2-CG 4.44Å; L36-N39 PolarHBondContact O-ND2 3.44Å
37	I	88.5	Confident	93	Very high	158 Å²	158	52.9 Å²	52.9	81%	0.81	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-55	179.4	-53.7	174	0	0	0	109.7	N35 N39	N35-I37 VanDerWaalsContact C-N 3.29Å; N35-I37 PolarHBondContact O-N 3.31Å; N35-I37 WeakPolarHBondContact OD1-CB 3.5Å; N35-I37 PolarHBondContact OD1-N 3.19Å; N35-I37 VanDerWaalsContact OD1-N 3.09Å; I37-N39 PolarHBondContact O-N 3.47Å
38	E	89.3	Confident	93	Very high	112 Å²	112	51.4 Å²	51.4	52%	0.523	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.1	177.2	-70	170	177.3	0	0	113.5	N35 T40	N35-E38 HydrophobicContact CB-CB 4.27Å; N35-E38 VanDerWaalsContact ND2-CG 3.29Å; N35-E38 WeakPolarHBondContact ND2-CG 3.48Å; N35-E38 PolarHBondContact ND2-OE1 2.91Å; N35-E38 PolarHBondContact ND2-OE2 2.9Å; N35-E38 PolarHBondContact OD1-N 3.24Å; E38-T40 VanDerWaalsContact C-N 3.35Å; E38-T40 HydrophobicContact CB-CG2 3.85Å; E38-T40 PolarHBondContact OE2-OG1 3.27Å; E38-T40 VanDerWaalsContact OE2-OG1 3.05Å
39	N	90.5	Very high	92.8	Very high	72 Å²	72	52.7 Å²	52.7	39%	0.385	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	48.2	-166.5	-78.2	-90.9	0	0	0	112.8	N35 L36 I37 I87	N35-N39 WeakPolarHBondContact O-CA 3.31Å; N35-N39 PolarHBondContact O-N 3.04Å; N35-N39 VanDerWaalsContact O-N 3.09Å; L36-N39 PolarHBondContact O-ND2 3.44Å; I37-N39 PolarHBondContact O-N 3.47Å; N39-I87 VanDerWaalsContact C-CD1 3.41Å; N39-I87 HydrophobicContact CB-CD1 3.85Å; N39-I87 WeakPolarHBondContact O-CD1 3.4Å; N39-I87 VanDerWaalsContact O-CG1 3.29Å; N39-I87 WeakPolarHBondContact O-CG1 3.45Å; N39-I87 PolarHBondContact O-N 3.11Å
40	T	92.6	Very high	92.4	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.7	179.2	64.7	0	0	0	0	113.3	N35 E38 T84 F85 W86	N35-T40 WeakPolarHBondContact CB-OG1 3.42Å; N35-T40 PolarHBondContact N-O 3.12Å; N35-T40 PolarHBondContact O-N 2.68Å; E38-T40 VanDerWaalsContact C-N 3.35Å; E38-T40 HydrophobicContact CB-CG2 3.85Å; E38-T40 PolarHBondContact OE2-OG1 3.27Å; E38-T40 VanDerWaalsContact OE2-OG1 3.05Å; T40-T84 HydrophobicContact CG2-CG2 4.07Å; T40-F85 CarbonylContact C-O 3.39Å; T40-F85 WeakPolarHBondContact CA-O 3.48Å; T40-W86 HydrophobicContact CG2-CD2 4.44Å; T40-W86 HydrophobicContact CG2-CG 4.43Å
41	I	93.6	Very high	91.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.7	171.3	-175.2	166.6	0	0	0	109.5	L8 L11 L17 I31 I34 L43 T84 F85 I90	L8-I41 HydrophobicContact CD2-CD1 4.37Å; L11-I41 HydrophobicContact CD1-CD1 3.93Å; L17-I41 HydrophobicContact CD2-CD1 3.91Å; I31-I41 HydrophobicContact CD1-CD1 4.19Å; I31-I41 HydrophobicContact CG1-CD1 4.19Å; I31-I41 HydrophobicContact CG2-CD1 4.39Å; I31-I41 HydrophobicContact CG2-CG1 4.45Å; I34-I41 HydrophobicContact CG1-CD1 4.3Å; I34-I41 HydrophobicContact CG1-CG1 4.22Å; I41-L43 HydrophobicContact CD1-CD2 4.27Å; I41-L43 HydrophobicContact CG1-CD2 4.13Å; I41-T84 CarbonylContact O-C 3.57Å; I41-T84 WeakPolarHBondContact O-CA 3.28Å; I41-F85 HydrophobicContact CG2-CB 4.06Å; I41-F85 PolarHBondContact N-O 2.8Å; I41-F85 PolarHBondContact O-N 3.09Å; I41-I90 HydrophobicContact CG2-CD1 3.83Å
42	T	95	Very high	90.4	Very high	22 Å²	22	59.4 Å²	59.4	14%	0.135	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.2	179.4	-56.4	0	0	0	0	109.7	T32 K33 I83 T84	T32-T42 PolarHBondContact N-O 3.11Å; K33-T42 PolarHBondContact N-O 3.27Å; K33-T42 PolarHBondContact O-N 3.34Å; T42-I83 WeakPolarHBondContact CA-O 3.21Å; T42-T84 WeakPolarHBondContact OG1-CG2 2.94Å; T42-T84 PolarHBondContact OG1-OG1 3.23Å
43	L	95.8	Very high	88.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	151.1	172.9	-54.3	-174.3	0	0	0	109.8	L17 L19 S30 I31 I41 V46 S82 I83 F85	L17-L43 HydrophobicContact CB-CD1 4.48Å; L17-L43 HydrophobicContact CB-CD2 4.13Å; L17-L43 HydrophobicContact CD2-CD1 4.35Å; L17-L43 HydrophobicContact CD2-CD2 4Å; L19-L43 HydrophobicContact CD2-CD1 4.26Å; S30-L43 CarbonylContact O-C 3.57Å; S30-L43 WeakPolarHBondContact O-CA 3.41Å; I31-L43 HydrophobicContact CB-CD2 4.28Å; I31-L43 HydrophobicContact CG1-CD2 3.62Å; I41-L43 HydrophobicContact CD1-CD2 4.27Å; I41-L43 HydrophobicContact CG1-CD2 4.13Å; L43-V46 VanDerWaalsContact C-CG2 3.47Å; L43-V46 HydrophobicContact CB-CG1 4.49Å; L43-V46 HydrophobicContact CB-CG2 3.52Å; L43-V46 HydrophobicContact CD1-CG1 4.47Å; L43-V46 VanDerWaalsContact O-CG2 3.32Å; L43-V46 WeakPolarHBondContact O-CG2 2.81Å; L43-S82 CarbonylContact O-C 3.49Å; L43-S82 WeakPolarHBondContact O-CA 3.4Å; L43-S82 WeakPolarHBondContact O-CB 3.35Å; L43-I83 PolarHBondContact N-O 3.48Å; L43-I83 PolarHBondContact O-N 3.26Å; L43-F85 HydrophobicContact CD1-CD2 4.25Å; L43-F85 HydrophobicContact CD1-CE2 3.97Å; L43-F85 HydrophobicContact CG-CD2 4.31Å; L43-F85 HydrophobicContact CG-CE2 4.32Å
44	K	95.7	Very high	86.7	Confident	109 Å²	109	64.3 Å²	64.3	47%	0.474	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.3	176	170.8	170.5	-176	178.2	0	110.7	S30 T32 V46 D81	S30-K44 PolarHBondContact N-O 3.02Å; S30-K44 PolarHBondContact O-N 3.37Å; T32-K44 WeakPolarHBondContact OG1-CB 3.34Å; K44-V46 VanDerWaalsContact C-N 3.27Å; K44-V46 PolarHBondContact O-N 3.47Å; K44-D81 CarbonylContact C-O 3.47Å; K44-D81 VanDerWaalsContact CA-O 3.25Å; K44-D81 WeakPolarHBondContact CA-O 3.46Å; K44-D81 WeakPolarHBondContact CG-O 3.32Å
45	N	94.6	Very high	84.6	Confident	98 Å²	98	68.6 Å²	68.6	52%	0.524	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.3	45.4	-176.8	-61	2.8	0	0	0	111.8	K47 Y80 D81	N45-K47 PolarHBondContact O-N 3.49Å; N45-Y80 CarbonylContact C-O 3.31Å; N45-Y80 WeakPolarHBondContact CA-O 3.34Å; N45-Y80 PolarHBondContact N-O 2.61Å; N45-D81 PolarHBondContact N-O 3.34Å
46	V	94.6	Very high	82.3	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112.8	-167.8	-162.1	0	0	0	0	110.4	Y27 E28 L43 K44 I79 Y80 I83 F85	Y27-V46 HydrophobicContact CD1-CG1 4.1Å; Y27-V46 HydrophobicContact CG-CG1 4.47Å; E28-V46 CarbonylContact O-C 3.52Å; E28-V46 WeakPolarHBondContact O-CA 3.04Å; L43-V46 VanDerWaalsContact C-CG2 3.47Å; L43-V46 HydrophobicContact CB-CG1 4.49Å; L43-V46 HydrophobicContact CB-CG2 3.52Å; L43-V46 HydrophobicContact CD1-CG1 4.47Å; L43-V46 VanDerWaalsContact O-CG2 3.32Å; L43-V46 WeakPolarHBondContact O-CG2 2.81Å; K44-V46 VanDerWaalsContact C-N 3.27Å; K44-V46 PolarHBondContact O-N 3.47Å; V46-I79 CarbonylContact O-C 3.53Å; V46-I79 WeakPolarHBondContact O-CA 3.36Å; V46-Y80 PolarHBondContact N-O 3.31Å; V46-Y80 WeakPolarHBondContact O-CD2 3.49Å; V46-Y80 PolarHBondContact O-N 3.21Å; V46-I83 HydrophobicContact CB-CD1 3.89Å; V46-I83 HydrophobicContact CB-CG1 3.98Å; V46-I83 HydrophobicContact CG1-CD1 3.91Å; V46-I83 HydrophobicContact CG1-CG1 4.36Å; V46-I83 HydrophobicContact CG2-CB 4.08Å; V46-I83 HydrophobicContact CG2-CD1 4.38Å; V46-I83 HydrophobicContact CG2-CG1 3.94Å; V46-F85 HydrophobicContact CG1-CE2 4.3Å; V46-F85 HydrophobicContact CG1-CZ 4.46Å
47	K	94.4	Very high	80.2	Confident	76 Å²	76	77.5 Å²	77.5	33%	0.33	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.7	177.9	178.2	178.2	156.3	-138.5	0	110.8	Y27 E28 N45 L49 T78 I79	Y27-K47 WeakPolarHBondContact CA-O 2.82Å; E28-K47 HydrophobicContact CB-CB 4.44Å; E28-K47 PolarHBondContact N-O 2.76Å; E28-K47 PolarHBondContact O-N 3.38Å; E28-K47 IonicContact OE2-NZ 2.97Å; E28-K47 PolarHBondContact OE2-NZ 3.2Å; N45-K47 PolarHBondContact O-N 3.49Å; K47-L49 HydrophobicContact CD-CD2 4.12Å; K47-L49 VanDerWaalsContact CE-CD2 3.47Å; K47-L49 HydrophobicContact CG-CD2 4.09Å; K47-T78 CarbonylContact C-O 3.33Å; K47-T78 WeakPolarHBondContact CA-O 3.21Å; K47-I79 HydrophobicContact CB-CG1 4.29Å; K47-I79 HydrophobicContact CG-CG1 4.44Å
48	F	93.8	Very high	77.7	Confident	1 Å²	1	79.9 Å²	79.9	0%	0.004	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.8	171.5	178.9	-101	0	0	0	110.6	Y25 Y27 I73 P74 I76 G77 T78 Y80	Y25-F48 AromaticContact CD1-CE2 3.64Å; Y25-F48 HydrophobicContact CD1-CE2 3.64Å; Y25-F48 AromaticContact CD1-CZ 3.72Å; Y25-F48 HydrophobicContact CD1-CZ 3.72Å; Y25-F48 HydrophobicContact CE1-CE2 4.44Å; Y25-F48 HydrophobicContact CE1-CZ 4.21Å; Y25-F48 AromaticContact CG-CE2 3.93Å; Y25-F48 HydrophobicContact CG-CE2 3.93Å; Y25-F48 HydrophobicContact CG-CZ 4.47Å; Y27-F48 HydrophobicContact CD1-CB 4.48Å; Y27-F48 HydrophobicContact CD1-CD2 4.16Å; Y27-F48 HydrophobicContact CE1-CB 4.43Å; Y27-F48 AromaticContact CE1-CD2 3.63Å; Y27-F48 HydrophobicContact CE1-CD2 3.63Å; Y27-F48 HydrophobicContact CE1-CE2 4.46Å; Y27-F48 AromaticContact CZ-CD2 3.81Å; F48-I73 HydrophobicContact CE1-CG2 4.16Å; F48-I73 HydrophobicContact CZ-CG2 3.78Å; F48-P74 HydrophobicContact CB-CB 4.44Å; F48-P74 HydrophobicContact CD1-CB 3.78Å; F48-P74 WeakPolarHBondContact CD1-O 3.45Å; F48-P74 HydrophobicContact CD2-CB 4.34Å; F48-P74 HydrophobicContact CD2-CG 4.43Å; F48-P74 HydrophobicContact CE1-CB 4.04Å; F48-P74 WeakPolarHBondContact CE1-O 3.22Å; F48-P74 HydrophobicContact CE2-CG 4.41Å; F48-P74 HydrophobicContact CG-CB 3.94Å; F48-P74 HydrophobicContact CZ-CB 4.4Å; F48-I76 HydrophobicContact CE1-CG1 4.29Å; F48-G77 PolarHBondContact O-N 3.14Å; F48-T78 PolarHBondContact N-O 3.09Å; F48-Y80 HydrophobicContact CB-CE2 4.41Å
49	L	90	Very high	75.2	Confident	54 Å²	54	81 Å²	81	28%	0.283	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-12.6	-176.1	-62	178.9	0	0	0	114.3	L18 H26 E28 K47	L18-L49 HydrophobicContact CD1-CD1 3.65Å; L18-L49 HydrophobicContact CD2-CD1 4.48Å; H26-L49 HydrophobicContact CB-CB 3.87Å; H26-L49 HydrophobicContact CB-CD1 4.49Å; H26-L49 PolarHBondContact O-N 2.93Å; E28-L49 HydrophobicContact CB-CD1 4.01Å; E28-L49 HydrophobicContact CB-CG 4.33Å; K47-L49 HydrophobicContact CD-CD2 4.12Å; K47-L49 VanDerWaalsContact CE-CD2 3.47Å; K47-L49 HydrophobicContact CG-CD2 4.09Å
50	G	87	Confident	73	Confident	6 Å²	6	88.3 Å²	88.3	6%	0.062	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120	-158.8	-179.5	0	0	0	0	0	114	Y25 H26	Y25-G50 WeakPolarHBondContact CA-O 3.29Å; H26-G50 PolarHBondContact N-O 3.33Å
51	Y	84.1	Confident	70.6	Confident	123 Å²	123	96.6 Å²	96.6	48%	0.482	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.1	-179.1	173.4	-82	0	0	0	109.6	A23 K24 Y25	A23-Y51 VanDerWaalsContact O-CD2 3.24Å; A23-Y51 WeakPolarHBondContact O-CD2 3.45Å; A23-Y51 WeakPolarHBondContact O-CE2 3.44Å; K24-Y51 HydrophobicContact CB-CD2 3.92Å; K24-Y51 HydrophobicContact CB-CE2 3.67Å; K24-Y51 HydrophobicContact CD-CE2 4.44Å; K24-Y51 HydrophobicContact CG-CE2 4.3Å; K24-Y51 WeakPolarHBondContact O-CA 3.49Å; Y25-Y51 HydrophobicContact CD1-CD2 4.12Å; Y25-Y51 AromaticContact CE1-CD2 3.92Å; Y25-Y51 HydrophobicContact CE1-CD2 3.92Å; Y25-Y51 HydrophobicContact CE1-CG 4.39Å
52	D	63.4	Low	68.4	Low	50 Å²	50	103.8 Å²	103.8	27%	0.267	49%	0.485	S	S	.	.	S	Bend	trans	57.4	159.7	-179.2	-111.7	-29.7	0	0	0	116.3	K24 H54	K24-D52 VanDerWaalsContact CD-CG 3.46Å; K24-D52 WeakPolarHBondContact CD-OD2 3.47Å; K24-D52 WeakPolarHBondContact CE-OD2 3.32Å; K24-D52 IonicContact NZ-OD1 3.34Å; K24-D52 PolarHBondContact NZ-OD1 2.87Å; K24-D52 IonicContact NZ-OD2 2.66Å; K24-D52 PolarHBondContact NZ-OD2 3.39Å; K24-D52 PolarHBondContact O-N 3.01Å; D52-H54 PolarHBondContact O-N 3.4Å
53	H	54.4	Low	66.1	Low	129 Å²	129	108.8 Å²	108.8	60%	0.597	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	16.9	-168.6	-75.9	-82.1	0	0	0	116.5	H26	H26-H53 AromaticContact CE1-CD2 3.59Å; H26-H53 AromaticContact CE1-CE1 3.61Å; H26-H53 AromaticContact CE1-CG 3.89Å; H26-H53 AromaticContact CE1-ND1 3.89Å; H26-H53 AromaticContact CE1-NE2 3.4Å; H26-H53 PolarHBondContact CE1-NE2 2.84Å
54	H	53.2	Low	63.5	Low	160 Å²	160	115.9 Å²	115.9	74%	0.741	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	1.4	-163.6	-69.7	-63.6	0	0	0	117.4	D52	D52-H54 PolarHBondContact O-N 3.4Å
55	L	48.4	Very low	61.3	Low	131 Å²	131	118.5 Å²	118.5	69%	0.686	56%	0.563	S	S	*	*			trans	-116.3	48.5	-177.4	-69	177.3	0	0	0	114.9	L57	L55-L57 PolarHBondContact O-N 3.09Å
56	L	43	Very low	59	Low	184 Å²	184	121 Å²	121	96%	0.963	58%	0.577	S	S	*	*			trans	-80.1	42.4	150.1	-76.8	176	0	0	0	111.2
57	L	41.4	Very low	57.3	Low	137 Å²	137	125.5 Å²	125.5	72%	0.717	60%	0.601	S	S	*	*	S	Bend	trans	-145.8	95.6	179.1	-153.9	67	0	0	0	113.3	L55	L55-L57 PolarHBondContact O-N 3.09Å
58	R	37.4	Very low	55.4	Low	207 Å²	207	127 Å²	127	78%	0.781	62%	0.618	S	S	*	*			trans	51.3	102	134.2	-161.6	178.3	-173.4	-145.1	4.5	118.1
59	N	36.6	Very low	53.5	Low	135 Å²	135	131 Å²	131	72%	0.722	64%	0.64	S	S	*	*			trans	57.3	85.8	143	-53	3.9	0	0	0	118
60	Y	43.6	Very low	51.8	Low	226 Å²	226	135.4 Å²	135.4	89%	0.886	66%	0.658	S	S	*	*			trans	-99.1	74.1	143.8	-93.4	-83	0	0	0	110.4	H62	Y60-H62 VanDerWaalsContact C-N 3.27Å; Y60-H62 HydrophobicContact CD1-CB 4.47Å; Y60-H62 PolarHBondContact O-N 3Å
61	H	41.8	Very low	50.3	Low	181 Å²	181	142.1 Å²	142.1	84%	0.838	69%	0.688	S	S	*	*			trans	-88	69.2	166.9	-165.9	-69.6	0	0	0	108.4
62	H	49.1	Very low	49.3	Very low	150 Å²	150	145.3 Å²	145.3	69%	0.694	70%	0.704	S	S	*	*			trans	-127.9	81.8	-179.6	-133.2	-35.8	0	0	0	111.6	Y60	Y60-H62 VanDerWaalsContact C-N 3.27Å; Y60-H62 HydrophobicContact CD1-CB 4.47Å; Y60-H62 PolarHBondContact O-N 3Å
63	D	45.5	Very low	49.5	Very low	128 Å²	128	147.4 Å²	147.4	68%	0.684	72%	0.715	S	S	*	*				64.5	158.5	117.9	-141.8	-4.9	0	0	0	121	N65	D63-N65 PolarHBondContact O-N 3.18Å
64	H	41.3	Very low	50.4	Low	148 Å²	148	143.2 Å²	143.2	69%	0.685	70%	0.699	S	S	*	*			trans	-57.2	125.2	-171.8	-78.8	-100.4	0	0	0	114.5
65	N	48.9	Very low	51.6	Low	164 Å²	164	140.4 Å²	140.4	88%	0.877	69%	0.693	S	S	*	*			trans	-158	120.7	142.6	-96	-72.4	0	0	0	108.5	D63 D67	D63-N65 PolarHBondContact O-N 3.18Å; N65-D67 PolarHBondContact O-N 3.39Å
66	D	48.1	Very low	53.3	Low	152 Å²	152	139.2 Å²	139.2	81%	0.813	69%	0.686	S	S	*	*			trans	-85.4	90.2	-170.7	-72.4	-85.4	0	0	0	113.3
67	D	57.1	Low	55.2	Low	94 Å²	94	132.2 Å²	132.2	50%	0.503	66%	0.659	S	S	.	*			trans	-101.3	111.3	160.3	-171.4	-33.6	0	0	0	110.7	N65 N69 H70	N65-D67 PolarHBondContact O-N 3.39Å; D67-N69 VanDerWaalsContact C-N 3.25Å; D67-N69 PolarHBondContact O-N 2.99Å; D67-N69 PolarHBondContact OD1-N 3.41Å; D67-H70 IonicContact OD2-CD2 3.77Å
68	P	55.9	Low	57.4	Low	106 Å²	106	127.9 Å²	127.9	69%	0.688	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-3.2	-175.4	30.8	-36	0	0	0	115.1
69	N	53	Low	60.1	Low	87 Å²	87	123.3 Å²	123.3	47%	0.465	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.6	-11.7	-175.5	-79.3	-74.9	0	0	0	115.5	D67 H71 R190	D67-N69 VanDerWaalsContact C-N 3.25Å; D67-N69 PolarHBondContact O-N 2.99Å; D67-N69 PolarHBondContact OD1-N 3.41Å; N69-H71 PolarHBondContact O-N 2.79Å; N69-R190 PolarHBondContact OD1-NE 3.03Å; N69-R190 PolarHBondContact OD1-NH2 3.11Å
70	H	54.1	Low	62.8	Low	145 Å²	145	121 Å²	121	67%	0.671	61%	0.61	S	S	*	*	S	Bend	trans	-63.9	127.5	177.4	-96.4	-91.6	0	0	0	111.7	D67 K72	D67-H70 IonicContact OD2-CD2 3.77Å; H70-K72 PolarHBondContact O-N 3.02Å
71	H	55.5	Low	65.2	Low	147 Å²	147	116.8 Å²	116.8	68%	0.681	60%	0.602	S	S	*	*			trans	-66.5	103	173.4	-77.2	27.4	0	0	0	109	N69 I73	N69-H71 PolarHBondContact O-N 2.79Å; H71-I73 PolarHBondContact O-N 3.19Å
72	K	62.9	Low	67.7	Low	190 Å²	190	111.8 Å²	111.8	83%	0.826	59%	0.587	S	S	*	*			trans	-65.8	94.6	179.9	-169	166.7	-173.7	167.4	0	109.5	H70	H70-K72 PolarHBondContact O-N 3.02Å
73	I	67.7	Low	70	Confident	95 Å²	95	106.3 Å²	106.3	49%	0.487	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-51	135.3	175.6	-58.3	177	0	0	0	107.9	Y25 F48 H71 T75	Y25-I73 HydrophobicContact CE1-CG2 4Å; F48-I73 HydrophobicContact CE1-CG2 4.16Å; F48-I73 HydrophobicContact CZ-CG2 3.78Å; H71-I73 PolarHBondContact O-N 3.19Å; I73-T75 PolarHBondContact O-N 3.36Å
74	P	73.5	Confident	72.4	Confident	40 Å²	40	103.5 Å²	103.5	26%	0.26	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-53.3	141.1	178.3	-27.2	35.4	0	0	0	111.7	F48 I76 T78 Y80	F48-P74 HydrophobicContact CB-CB 4.44Å; F48-P74 HydrophobicContact CD1-CB 3.78Å; F48-P74 WeakPolarHBondContact CD1-O 3.45Å; F48-P74 HydrophobicContact CD2-CB 4.34Å; F48-P74 HydrophobicContact CD2-CG 4.43Å; F48-P74 HydrophobicContact CE1-CB 4.04Å; F48-P74 WeakPolarHBondContact CE1-O 3.22Å; F48-P74 HydrophobicContact CE2-CG 4.41Å; F48-P74 HydrophobicContact CG-CB 3.94Å; F48-P74 HydrophobicContact CZ-CB 4.4Å; P74-I76 PolarHBondContact O-N 3.35Å; P74-T78 WeakPolarHBondContact CB-OG1 3.49Å; P74-Y80 WeakPolarHBondContact CB-OH 3.31Å; P74-Y80 WeakPolarHBondContact CG-OH 3.45Å
75	T	78.9	Confident	74.9	Confident	102 Å²	102	97.4 Å²	97.4	63%	0.626	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-63.2	135.2	173.8	-50.7	0	0	0	0	109	I73 G77 T78	I73-T75 PolarHBondContact O-N 3.36Å; T75-G77 PolarHBondContact O-N 2.99Å; T75-T78 WeakPolarHBondContact O-CB 3.24Å; T75-T78 WeakPolarHBondContact O-CG2 3.21Å; T75-T78 PolarHBondContact O-N 3.2Å; T75-T78 PolarHBondContact O-OG1 3.33Å
76	I	83.5	Confident	77.1	Confident	106 Å²	106	96.9 Å²	96.9	54%	0.544	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	129.9	176.9	-62.6	174.7	0	0	0	108.8	F48 P74	F48-I76 HydrophobicContact CE1-CG1 4.29Å; P74-I76 PolarHBondContact O-N 3.35Å
77	G	84.4	Confident	79.1	Confident	37 Å²	37	90.1 Å²	90.1	38%	0.381	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-1.9	-173.2	0	0	0	0	0	115.5	F48 T75 I79	F48-G77 PolarHBondContact O-N 3.14Å; T75-G77 PolarHBondContact O-N 2.99Å; G77-I79 PolarHBondContact O-N 2.98Å
78	T	86.8	Confident	80.7	Confident	45 Å²	45	88.3 Å²	88.3	28%	0.276	47%	0.467	S	S	.	.			trans	-60.6	133	170.1	41.5	0	0	0	0	111.1	K47 F48 P74 T75	K47-T78 CarbonylContact C-O 3.33Å; K47-T78 WeakPolarHBondContact CA-O 3.21Å; F48-T78 PolarHBondContact N-O 3.09Å; P74-T78 WeakPolarHBondContact CB-OG1 3.49Å; T75-T78 WeakPolarHBondContact O-CB 3.24Å; T75-T78 WeakPolarHBondContact O-CG2 3.21Å; T75-T78 PolarHBondContact O-N 3.2Å; T75-T78 PolarHBondContact O-OG1 3.33Å
79	I	93.1	Very high	82.5	Confident	112 Å²	112	85.1 Å²	85.1	57%	0.574	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.3	179.5	-54.5	178	0	0	0	108.7	V46 K47 G77	V46-I79 CarbonylContact O-C 3.53Å; V46-I79 WeakPolarHBondContact O-CA 3.36Å; K47-I79 HydrophobicContact CB-CG1 4.29Å; K47-I79 HydrophobicContact CG-CG1 4.44Å; G77-I79 PolarHBondContact O-N 2.98Å
80	Y	93.4	Very high	84.3	Confident	87 Å²	87	81.1 Å²	81.1	34%	0.341	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.7	178.5	-60.5	-98.6	0	0	0	109.5	N45 V46 F48 P74 S82 I83	N45-Y80 CarbonylContact C-O 3.31Å; N45-Y80 WeakPolarHBondContact CA-O 3.34Å; N45-Y80 PolarHBondContact N-O 2.61Å; V46-Y80 PolarHBondContact N-O 3.31Å; V46-Y80 WeakPolarHBondContact O-CD2 3.49Å; V46-Y80 PolarHBondContact O-N 3.21Å; F48-Y80 HydrophobicContact CB-CE2 4.41Å; P74-Y80 WeakPolarHBondContact CB-OH 3.31Å; P74-Y80 WeakPolarHBondContact CG-OH 3.45Å; Y80-S82 PolarHBondContact O-N 3.38Å; Y80-I83 HydrophobicContact CD1-CD1 4.43Å; Y80-I83 HydrophobicContact CD2-CD1 3.84Å; Y80-I83 HydrophobicContact CG-CD1 3.79Å; Y80-I83 HydrophobicContact CG-CG1 4.12Å
81	D	94.4	Very high	86	Confident	136 Å²	136	78 Å²	78	73%	0.727	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	-40.7	-176.2	-56.9	-29	0	0	0	112	K44 N45	K44-D81 CarbonylContact C-O 3.47Å; K44-D81 VanDerWaalsContact CA-O 3.25Å; K44-D81 WeakPolarHBondContact CA-O 3.46Å; K44-D81 WeakPolarHBondContact CG-O 3.32Å; N45-D81 PolarHBondContact N-O 3.34Å
82	S	95.2	Very high	87.6	Confident	76 Å²	76	75.9 Å²	75.9	53%	0.531	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	149.7	166.8	61.3	0	0	0	0	112.5	L43 Y80	L43-S82 CarbonylContact O-C 3.49Å; L43-S82 WeakPolarHBondContact O-CA 3.4Å; L43-S82 WeakPolarHBondContact O-CB 3.35Å; Y80-S82 PolarHBondContact O-N 3.38Å
83	I	95.7	Very high	88.9	Confident	36 Å²	36	67.2 Å²	67.2	19%	0.185	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129	167.5	-52	-179.6	0	0	0	109.2	Y27 T42 L43 V46 Y80 F85	Y27-I83 HydrophobicContact CD1-CD1 4.16Å; Y27-I83 HydrophobicContact CE1-CD1 4.1Å; T42-I83 WeakPolarHBondContact CA-O 3.21Å; L43-I83 PolarHBondContact N-O 3.48Å; L43-I83 PolarHBondContact O-N 3.26Å; V46-I83 HydrophobicContact CB-CD1 3.89Å; V46-I83 HydrophobicContact CB-CG1 3.98Å; V46-I83 HydrophobicContact CG1-CD1 3.91Å; V46-I83 HydrophobicContact CG1-CG1 4.36Å; V46-I83 HydrophobicContact CG2-CB 4.08Å; V46-I83 HydrophobicContact CG2-CD1 4.38Å; V46-I83 HydrophobicContact CG2-CG1 3.94Å; Y80-I83 HydrophobicContact CD1-CD1 4.43Å; Y80-I83 HydrophobicContact CD2-CD1 3.84Å; Y80-I83 HydrophobicContact CG-CD1 3.79Å; Y80-I83 HydrophobicContact CG-CG1 4.12Å; I83-F85 HydrophobicContact CB-CD2 4.33Å; I83-F85 HydrophobicContact CB-CE2 3.67Å; I83-F85 HydrophobicContact CB-CZ 3.99Å; I83-F85 HydrophobicContact CD1-CZ 4.13Å; I83-F85 HydrophobicContact CG2-CD1 4.41Å; I83-F85 HydrophobicContact CG2-CD2 3.99Å; I83-F85 HydrophobicContact CG2-CE1 4Å; I83-F85 HydrophobicContact CG2-CE2 3.54Å; I83-F85 HydrophobicContact CG2-CG 4.41Å; I83-F85 HydrophobicContact CG2-CZ 3.55Å
84	T	96.1	Very high	89.9	Confident	69 Å²	69	66.8 Å²	66.8	42%	0.423	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.1	171.1	-55	0	0	0	0	110.2	T40 I41 T42	T40-T84 HydrophobicContact CG2-CG2 4.07Å; I41-T84 CarbonylContact O-C 3.57Å; I41-T84 WeakPolarHBondContact O-CA 3.28Å; T42-T84 WeakPolarHBondContact OG1-CG2 2.94Å; T42-T84 PolarHBondContact OG1-OG1 3.23Å
85	F	94.7	Very high	90.6	Very high	20 Å²	20	67.8 Å²	67.8	9%	0.088	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.4	175.9	-63.1	-89	0	0	0	110.7	L19 T21 Y27 T40 I41 L43 V46 I83 I90	L19-F85 HydrophobicContact CD2-CB 4.18Å; L19-F85 HydrophobicContact CD2-CD1 3.7Å; L19-F85 HydrophobicContact CD2-CD2 3.51Å; L19-F85 HydrophobicContact CD2-CE1 3.86Å; L19-F85 HydrophobicContact CD2-CE2 3.67Å; L19-F85 HydrophobicContact CD2-CG 3.51Å; L19-F85 HydrophobicContact CD2-CZ 3.85Å; T21-F85 HydrophobicContact CG2-CD1 4.12Å; T21-F85 HydrophobicContact CG2-CE1 4Å; Y27-F85 HydrophobicContact CD1-CE1 4.44Å; Y27-F85 AromaticContact CD1-CZ 3.82Å; Y27-F85 HydrophobicContact CD1-CZ 3.82Å; Y27-F85 AromaticContact CD2-CE1 3.84Å; Y27-F85 HydrophobicContact CD2-CE1 3.84Å; Y27-F85 AromaticContact CD2-CZ 3.85Å; Y27-F85 HydrophobicContact CD2-CZ 3.85Å; Y27-F85 HydrophobicContact CE1-CE1 4.47Å; Y27-F85 HydrophobicContact CE1-CZ 4.18Å; Y27-F85 AromaticContact CE2-CE1 3.89Å; Y27-F85 HydrophobicContact CE2-CE1 3.89Å; Y27-F85 HydrophobicContact CE2-CZ 4.22Å; Y27-F85 HydrophobicContact CG-CE1 4.12Å; Y27-F85 AromaticContact CG-CZ 3.64Å; Y27-F85 HydrophobicContact CG-CZ 3.64Å; T40-F85 CarbonylContact C-O 3.39Å; T40-F85 WeakPolarHBondContact CA-O 3.48Å; I41-F85 HydrophobicContact CG2-CB 4.06Å; I41-F85 PolarHBondContact N-O 2.8Å; I41-F85 PolarHBondContact O-N 3.09Å; L43-F85 HydrophobicContact CD1-CD2 4.25Å; L43-F85 HydrophobicContact CD1-CE2 3.97Å; L43-F85 HydrophobicContact CG-CD2 4.31Å; L43-F85 HydrophobicContact CG-CE2 4.32Å; V46-F85 HydrophobicContact CG1-CE2 4.3Å; V46-F85 HydrophobicContact CG1-CZ 4.46Å; I83-F85 HydrophobicContact CB-CD2 4.33Å; I83-F85 HydrophobicContact CB-CE2 3.67Å; I83-F85 HydrophobicContact CB-CZ 3.99Å; I83-F85 HydrophobicContact CD1-CZ 4.13Å; I83-F85 HydrophobicContact CG2-CD1 4.41Å; I83-F85 HydrophobicContact CG2-CD2 3.99Å; I83-F85 HydrophobicContact CG2-CE1 4Å; I83-F85 HydrophobicContact CG2-CE2 3.54Å; I83-F85 HydrophobicContact CG2-CG 4.41Å; I83-F85 HydrophobicContact CG2-CZ 3.55Å; F85-I90 HydrophobicContact CB-CD1 4.45Å
86	W	94.9	Very high	90.8	Very high	152 Å²	152	65.3 Å²	65.3	58%	0.576	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.6	168.6	-65.8	61.2	0	0	0	108.6	T40 S88 C89	T40-W86 HydrophobicContact CG2-CD2 4.44Å; T40-W86 HydrophobicContact CG2-CG 4.43Å; W86-S88 PolarHBondContact O-N 3.18Å; W86-S88 VanDerWaalsContact O-N 3.14Å; W86-C89 HydrophobicContact CB-CB 4.46Å; W86-C89 PolarHBondContact O-N 3.03Å
87	I	90.8	Very high	90.3	Very high	10 Å²	10	68.2 Å²	68.2	5%	0.051	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-57.3	-33.5	179.9	-62.6	157.7	0	0	0	110.9	I4 L8 N39 C89 I90	I4-I87 HydrophobicContact CG2-CG2 3.92Å; L8-I87 HydrophobicContact CD1-CD1 3.24Å; L8-I87 HydrophobicContact CD1-CG1 3.79Å; L8-I87 HydrophobicContact CD1-CG2 4.19Å; N39-I87 VanDerWaalsContact C-CD1 3.41Å; N39-I87 HydrophobicContact CB-CD1 3.85Å; N39-I87 WeakPolarHBondContact O-CD1 3.4Å; N39-I87 VanDerWaalsContact O-CG1 3.29Å; N39-I87 WeakPolarHBondContact O-CG1 3.45Å; N39-I87 PolarHBondContact O-N 3.11Å; I87-C89 PolarHBondContact O-N 3.02Å; I87-I90 WeakPolarHBondContact O-CB 3.13Å; I87-I90 PolarHBondContact O-N 3.05Å; I87-I90 VanDerWaalsContact O-N 3.12Å
88	S	90.8	Very high	89.2	Confident	57 Å²	57	72.6 Å²	72.6	40%	0.399	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-63.5	-16.5	175.6	62.2	0	0	0	0	114.8	K22 W86	K22-S88 VanDerWaalsContact CE-O 3.27Å; K22-S88 WeakPolarHBondContact CE-O 3.25Å; K22-S88 PolarHBondContact NZ-O 3.16Å; W86-S88 PolarHBondContact O-N 3.18Å; W86-S88 VanDerWaalsContact O-N 3.14Å
89	C	92	Very high	87	Confident	39 Å²	39	76.8 Å²	76.8	26%	0.264	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-101.3	-2.2	176.7	-64.1	0	0	0	0	113.7	T21 K22 W86 I87	T21-C89 WeakPolarHBondContact CA-O 3.25Å; K22-C89 PolarHBondContact N-O 2.84Å; W86-C89 HydrophobicContact CB-CB 4.46Å; W86-C89 PolarHBondContact O-N 3.03Å; I87-C89 PolarHBondContact O-N 3.02Å
90	I	92.4	Very high	84.5	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.01	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141.5	175.4	-54	176	0	0	0	108.9	I4 L19 K22 I41 F85 I87 M93	I4-I90 HydrophobicContact CD1-CB 4.49Å; I4-I90 HydrophobicContact CD1-CG2 4.36Å; L19-I90 HydrophobicContact CD1-CB 4.23Å; L19-I90 HydrophobicContact CD1-CD1 3.79Å; L19-I90 HydrophobicContact CD1-CG1 3.85Å; L19-I90 HydrophobicContact CD1-CG2 3.43Å; L19-I90 VanDerWaalsContact CD1-CG2 3.43Å; K22-I90 WeakPolarHBondContact CE-O 3.41Å; I41-I90 HydrophobicContact CG2-CD1 3.83Å; F85-I90 HydrophobicContact CB-CD1 4.45Å; I87-I90 WeakPolarHBondContact O-CB 3.13Å; I87-I90 PolarHBondContact O-N 3.05Å; I87-I90 VanDerWaalsContact O-N 3.12Å; I90-M93 HydrophobicContact CD1-CE 3.44Å; I90-M93 VanDerWaalsContact CD1-CE 3.44Å; I90-M93 HydrophobicContact CG2-CB 4.49Å; I90-M93 HydrophobicContact CG2-CE 3.91Å
91	D	89.2	Confident	81.6	Confident	81 Å²	81	84.8 Å²	84.8	43%	0.433	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-50.7	167.6	-170.4	65.1	0	0	0	110.4	I4 I20 K22	I4-D91 WeakPolarHBondContact CD1-O 3.28Å; I20-D91 PolarHBondContact O-N 2.98Å; K22-D91 HydrophobicContact CG-CB 4.18Å
92	Q	88.7	Confident	78.8	Confident	102 Å²	102	85.2 Å²	85.2	48%	0.477	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.4	-178.3	-65.8	169.4	53.2	0	0	111	I20 W94	I20-Q92 HydrophobicContact CB-CB 4.27Å; I20-Q92 PolarHBondContact N-O 3.09Å; I20-Q92 PolarHBondContact O-N 3.03Å; Q92-W94 HydrophobicContact CB-CZ3 4.38Å
93	M	90.3	Very high	75.8	Confident	7 Å²	7	87.3 Å²	87.3	3%	0.034	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.7	174.7	62	171.7	60	0	0	110.2	I4 L8 L11 L17 L18 L19 I90	I4-M93 HydrophobicContact CG2-CE 3.74Å; I4-M93 HydrophobicContact CG2-SD 4.2Å; L8-M93 HydrophobicContact CD2-CE 3.86Å; L8-M93 HydrophobicContact CD2-SD 3.93Å; L11-M93 HydrophobicContact CD1-SD 3.83Å; L17-M93 HydrophobicContact CD1-CB 4.28Å; L17-M93 HydrophobicContact CD2-CB 4.33Å; L17-M93 HydrophobicContact CG-CB 4.48Å; L18-M93 WeakPolarHBondContact O-CA 3.37Å; L19-M93 HydrophobicContact CD1-CB 3.89Å; L19-M93 HydrophobicContact CD1-CE 4.28Å; I90-M93 HydrophobicContact CD1-CE 3.44Å; I90-M93 VanDerWaalsContact CD1-CE 3.44Å; I90-M93 HydrophobicContact CG2-CB 4.49Å; I90-M93 HydrophobicContact CG2-CE 3.91Å
94	W	88.5	Confident	72.9	Confident	87 Å²	87	96.8 Å²	96.8	33%	0.33	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	136.8	169.9	56.8	97.7	0	0	0	112.3	L17 L18 I20 Q92 L96	L17-W94 WeakPolarHBondContact CD1-O 3.48Å; L18-W94 HydrophobicContact CB-CD2 4.38Å; L18-W94 HydrophobicContact CB-CZ2 4.24Å; L18-W94 HydrophobicContact CD2-CH2 4.36Å; L18-W94 HydrophobicContact CD2-CZ2 3.38Å; L18-W94 HydrophobicContact CG-CD2 4.43Å; L18-W94 HydrophobicContact CG-CH2 4.12Å; L18-W94 HydrophobicContact CG-CZ2 3.48Å; L18-W94 VanDerWaalsContact CG-CZ2 3.48Å; L18-W94 PolarHBondContact N-O 3.39Å; L18-W94 PolarHBondContact O-N 3.13Å; I20-W94 HydrophobicContact CD1-CH2 3.74Å; I20-W94 HydrophobicContact CD1-CZ3 3.84Å; I20-W94 HydrophobicContact CG1-CH2 3.97Å; I20-W94 HydrophobicContact CG1-CZ3 3.92Å; Q92-W94 HydrophobicContact CB-CZ3 4.38Å; W94-L96 PolarHBondContact O-N 2.86Å
95	P	89.1	Confident	70.2	Confident	60 Å²	60	102.3 Å²	102.3	39%	0.39	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.3	173.3	28.6	-32.5	0	0	0	110.2	L11 I15 K97	L11-P95 HydrophobicContact CD2-CB 4.17Å; L11-P95 HydrophobicContact CD2-CG 4.28Å; I15-P95 HydrophobicContact CG2-CB 3.66Å; P95-K97 PolarHBondContact O-N 2.86Å
96	L	83.5	Confident	67.4	Low	50 Å²	50	110.8 Å²	110.8	26%	0.262	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	105.8	164.2	-86.7	65.9	0	0	0	107.3	K16 L18 W94 E98	K16-L96 HydrophobicContact CB-CB 4.16Å; K16-L96 HydrophobicContact CD-CD2 4.12Å; K16-L96 PolarHBondContact O-N 3.31Å; L18-L96 HydrophobicContact CB-CD1 3.39Å; L18-L96 HydrophobicContact CD2-CD1 4.4Å; W94-L96 PolarHBondContact O-N 2.86Å; L96-E98 PolarHBondContact O-N 2.8Å; L96-E98 VanDerWaalsContact O-N 3.08Å
97	K	72	Confident	64.5	Low	168 Å²	168	110.9 Å²	110.9	73%	0.73	53%	0.531	S	S	*	.			trans	-62.6	106.1	170	-75.6	-176	179	-178.1	0	109.1	P95 N99	P95-K97 PolarHBondContact O-N 2.86Å; K97-N99 WeakPolarHBondContact CB-OD1 3.45Å; K97-N99 PolarHBondContact O-N 3.07Å; K97-N99 VanDerWaalsContact O-N 3.16Å
98	E	61	Low	62	Low	129 Å²	129	117.2 Å²	117.2	60%	0.603	57%	0.565	S	S	*	*			trans	-69.5	-8.6	-178.8	-59.3	-165.2	137	0	0	113.1	K16 L96 M100	K16-E98 HydrophobicContact CB-CG 4.25Å; K16-E98 WeakPolarHBondContact CB-OE1 3.41Å; L96-E98 PolarHBondContact O-N 2.8Å; L96-E98 VanDerWaalsContact O-N 3.08Å; E98-M100 PolarHBondContact O-N 3.14Å
99	N	42	Very low	59.6	Low	133 Å²	133	122.3 Å²	122.3	71%	0.711	59%	0.587	S	S	*	*			trans	-75.9	49.5	174.5	54.6	-73.5	0	0	0	114.1	K97	K97-N99 WeakPolarHBondContact CB-OD1 3.45Å; K97-N99 PolarHBondContact O-N 3.07Å; K97-N99 VanDerWaalsContact O-N 3.16Å
100	M	39.7	Very low	57	Low	172 Å²	172	126.1 Å²	126.1	85%	0.847	61%	0.612	S	S	*	*			trans	-128.5	107.8	141.7	-92.1	-166.4	164.3	0	0	108.9	E98 L102	E98-M100 PolarHBondContact O-N 3.14Å; M100-L102 VanDerWaalsContact C-N 3.26Å; M100-L102 PolarHBondContact O-N 2.99Å
101	K	33.2	Very low	54.4	Low	195 Å²	195	134 Å²	134	85%	0.848	65%	0.651	S	S	*	*			trans	-65	92.1	159.5	-73.3	-178	178.2	179	0	107.6	D103	K101-D103 PolarHBondContact O-N 3.27Å
102	L	34.9	Very low	52	Low	144 Å²	144	136.4 Å²	136.4	75%	0.754	66%	0.663	S	S	*	*			trans	-69	100.1	162.5	-174.3	84.8	0	0	0	106.7	M100 R104	M100-L102 VanDerWaalsContact C-N 3.26Å; M100-L102 PolarHBondContact O-N 2.99Å; L102-R104 PolarHBondContact O-N 3.04Å
103	D	31.6	Very low	49.8	Very low	121 Å²	121	137 Å²	137	65%	0.647	67%	0.674	S	S	*	*			trans	-60	102.5	-179.8	-79.6	-48.1	0	0	0	110.7	K101 K105	K101-D103 PolarHBondContact O-N 3.27Å; D103-K105 PolarHBondContact O-N 3.42Å
104	R	36.1	Very low	47.3	Very low	235 Å²	235	142.2 Å²	142.2	89%	0.887	71%	0.707	S	S	*	*			trans	-75.9	52.8	167.7	-63.1	-172.1	-177.7	-171.3	1.3	110.3	L102	L102-R104 PolarHBondContact O-N 3.04Å
105	K	39	Very low	45.1	Very low	185 Å²	185	143.8 Å²	143.8	80%	0.804	73%	0.726	S	S	*	*			trans	-129	49.1	170.8	-73.3	-162.6	169.9	-160.6	0	109.5	D103	D103-K105 PolarHBondContact O-N 3.42Å
106	K	34.9	Very low	42.6	Very low	198 Å²	198	147 Å²	147	86%	0.861	74%	0.74	S	S	*	*	S	Bend	trans	-138.3	52.4	172	-76.6	-159.9	173.7	-171.6	0	111.2
107	L	35.3	Very low	40.2	Very low	154 Å²	154	149.8 Å²	149.8	81%	0.806	76%	0.759	S	S	*	*	S	Bend	trans	-170.8	139.4	161.6	-102.3	162.7	0	0	0	105
108	N	37.6	Very low	38.5	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	76%	0.759	S	S	*	*	S	Bend	trans	64.5	77.5	-176.2	-46.6	-4.2	0	0	0	114.1
109	D	39.7	Very low	37.4	Very low	164 Å²	164	147.4 Å²	147.4	88%	0.877	76%	0.763	S	S	*	*			trans	-175.8	118.5	133	-90.6	-22.3	0	0	0	109
110	P	37.8	Very low	37.2	Very low	120 Å²	120	146.6 Å²	146.6	78%	0.779	76%	0.759	S	S	*	*			trans	-91.3	153.4	171.3	35.1	-31.6	0	0	0	112.2
111	M	38.4	Very low	37.2	Very low	168 Å²	168	144.2 Å²	144.2	83%	0.828	75%	0.75	S	S	*	*			trans	76.8	146.3	169.5	-76.7	-62	-176.8	0	0	120.2
112	N	39	Very low	37.6	Very low	130 Å²	130	140.9 Å²	140.9	70%	0.695	74%	0.741	S	S	*	*			trans	68.2	88.1	163.9	-55.2	-10.7	0	0	0	117.3
113	T	42	Very low	37.7	Very low	115 Å²	115	142.2 Å²	142.2	71%	0.706	74%	0.741	S	S	*	*				79	116.4	68	64.9	0	0	0	0	115.5
114	T	36.9	Very low	38	Very low	117 Å²	117	141.7 Å²	141.7	72%	0.718	73%	0.734	S	S	*	*			trans	46.1	133	134.2	-8.5	0	0	0	0	118.7
115	T	43	Very low	38.3	Very low	119 Å²	119	138 Å²	138	73%	0.73	73%	0.725	S	S	*	*			cis	-146.1	150.9	40.2	40.5	0	0	0	0	111.7
116	N	36.1	Very low	38.6	Very low	127 Å²	127	135.2 Å²	135.2	68%	0.679	72%	0.715	S	S	*	*				45.4	135.9	83.6	-50.3	-12.1	0	0	0	114.3
117	T	34.4	Very low	38.8	Very low	110 Å²	110	131 Å²	131	68%	0.675	70%	0.696	S	S	*	*			cis	-172.6	151	-7	18.1	0	0	0	0	108.6
118	T	36.3	Very low	38.9	Very low	119 Å²	119	130.4 Å²	130.4	73%	0.73	69%	0.689	S	S	*	*			trans	62.2	155.5	152.4	55.9	0	0	0	0	118.2
119	N	38.2	Very low	39.3	Very low	127 Å²	127	130 Å²	130	68%	0.679	68%	0.683	S	S	*	*			cis	-157.6	170.1	-3.6	-123.8	-3.4	0	0	0	112.6
120	N	38.1	Very low	39.2	Very low	116 Å²	116	125.4 Å²	125.4	62%	0.62	66%	0.655	S	S	*	*			trans	69.5	107.3	145.7	-66.9	-1.5	0	0	0	122
121	N	39	Very low	39.3	Very low	123 Å²	123	125.5 Å²	125.5	66%	0.658	65%	0.649	S	S	*	*				92.8	113.9	117.9	-63.8	-8.9	0	0	0	121.3
122	N	40.8	Very low	39	Very low	125 Å²	125	122.4 Å²	122.4	67%	0.668	64%	0.64	S	S	*	*				69.4	111.4	129.1	-60.1	-20.4	0	0	0	117.8
123	K	38.1	Very low	38.5	Very low	172 Å²	172	124.1 Å²	124.1	75%	0.748	65%	0.648	S	S	*	*				84.1	142.5	98.9	-79.7	175.8	163	-103.5	0	113
124	E	38.4	Very low	38	Very low	110 Å²	110	122 Å²	122	51%	0.514	65%	0.649	S	S	.	*			cis	-167.3	154.1	-4.8	174.3	156.2	-170.4	0	0	108.9
125	K	41.1	Very low	37.8	Very low	157 Å²	157	127.3 Å²	127.3	68%	0.683	66%	0.657	S	S	*	*			trans	19.6	146.3	154.6	-62.4	164.6	-168.2	160.4	0	120.3
126	Q	45.7	Very low	37.6	Very low	127 Å²	127	126 Å²	126	59%	0.593	66%	0.658	S	S	*	*			cis	-170.5	156.1	6.1	-120.3	-179.6	103.6	0	0	111.9
127	K	38.7	Very low	37.9	Very low	109 Å²	109	125.1 Å²	125.1	47%	0.474	66%	0.659	S	S	.	*			trans	45.3	143.7	142.1	-73.4	-177.1	-177.4	164.3	0	122.1	P366 I367	K127-P366 CarbonylContact C-O 3.51Å; K127-P366 CarbonylContact O-C 3.51Å; K127-P366 VanDerWaalsContact O-C 3.31Å; K127-P366 VanDerWaalsContact O-O 3.07Å; K127-I367 HydrophobicContact CB-CG1 4.38Å
128	Q	38.7	Very low	38	Very low	141 Å²	141	130.2 Å²	130.2	66%	0.659	67%	0.666	S	S	*	*			cis	168.9	119.9	-19.8	-118.2	-175.3	-89	0	0	104.8	P366 I367	Q128-P366 CarbonylContact C-O 3.6Å; Q128-P366 PolarHBondContact N-O 2.73Å; Q128-P366 CarbonylContact O-C 3.57Å; Q128-P366 VanDerWaalsContact O-O 3.13Å; Q128-I367 CarbonylContact O-C 3.59Å; Q128-I367 PolarHBondContact O-N 2.84Å
129	Q	44.2	Very low	38.2	Very low	134 Å²	134	130.4 Å²	130.4	63%	0.626	66%	0.663	S	S	*	*			trans	-117.2	147.9	-166.9	-113.5	-67.8	80.2	0	0	115.9	P366	Q129-P366 HydrophobicContact CG-CG 4.47Å
130	K	37.8	Very low	38.5	Very low	68 Å²	68	132.1 Å²	132.1	30%	0.296	67%	0.667	S	S	.	*			trans	-66.9	160.2	155.8	-92.7	168.1	158.6	174.1	0	110.2	P368 S369 M370	K130-P368 HydrophobicContact CD-CB 4.29Å; K130-P368 HydrophobicContact CD-CG 4.41Å; K130-P368 WeakPolarHBondContact CG-O 3.41Å; K130-S369 WeakPolarHBondContact CE-O 3.49Å; K130-S369 PolarHBondContact NZ-OG 2.78Å; K130-M370 VanDerWaalsContact NZ-CG 3.28Å
131	N	40.4	Very low	38.8	Very low	121 Å²	121	134.3 Å²	134.3	65%	0.647	67%	0.671	S	S	*	*			cis	-163	159.6	27.4	-130.6	-1.2	0	0	0	112.1
132	T	31.6	Very low	38.6	Very low	103 Å²	103	139.2 Å²	139.2	63%	0.632	68%	0.68	S	S	*	*			trans	29.4	128.4	148.6	54.5	0	0	0	0	123.5
133	L	29.5	Very low	38.6	Very low	166 Å²	166	139.9 Å²	139.9	87%	0.869	68%	0.683	S	S	*	*			trans	47.7	122.6	140.9	-73.5	82.7	0	0	0	120.1
134	G	30.1	Very low	38.7	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	68%	0.683	S	S	*	*			trans	179.3	98.1	163	0	0	0	0	0	115.2
135	Y	33.7	Very low	38.6	Very low	230 Å²	230	140 Å²	140	90%	0.902	69%	0.694	S	S	*	*			trans	2.6	127.7	157.3	-56.1	-82.4	0	0	0	120.4
136	A	39.3	Very low	38.7	Very low	90 Å²	90	138.6 Å²	138.6	74%	0.744	69%	0.693	S	S	*	*			trans	-62.7	161.7	149	0	0	0	0	0	109.6
137	P	42.8	Very low	38.3	Very low	109 Å²	109	137.3 Å²	137.3	71%	0.708	70%	0.698	S	S	*	*				-156.9	-172.6	61.5	44	-23.2	0	0	0	117
138	R	35.9	Very low	38.2	Very low	218 Å²	218	136.8 Å²	136.8	82%	0.823	71%	0.708	S	S	*	*			trans	66.7	162.7	159.7	-64.6	-171.3	179.4	159.2	1	116.8
139	D	39.3	Very low	38.4	Very low	122 Å²	122	137 Å²	137	65%	0.652	71%	0.712	S	S	*	*			cis	-162.8	155.8	-30.4	-96.4	-22.6	0	0	0	106.8
140	Q	45.5	Very low	38.4	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.762	72%	0.716	S	S	*	*			trans	135.4	149.9	153.1	-75.5	164.8	112.7	0	0	114
141	K	43.1	Very low	38.4	Very low	162 Å²	162	141.9 Å²	141.9	70%	0.704	74%	0.738	S	S	*	*			cis	-177.4	122.3	-27.7	-110.9	178.3	-155.6	150.6	0	106.2
142	R	36.2	Very low	38.5	Very low	227 Å²	227	144.5 Å²	144.5	86%	0.857	74%	0.743	S	S	*	*			trans	59.6	172.4	155.8	-57.2	-176	169.5	-161.6	-4.2	116.4
143	L	41	Very low	38.9	Very low	139 Å²	139	145.4 Å²	145.4	73%	0.728	75%	0.751	S	S	*	*			cis	-116.4	155.3	-13.7	-91.6	99.6	0	0	0	108.6
144	V	39	Very low	39.5	Very low	122 Å²	122	143 Å²	143	74%	0.739	74%	0.743	S	S	*	*				48	118.7	85.1	-154.4	0	0	0	0	111.5
145	E	37.7	Very low	39.7	Very low	162 Å²	162	145.5 Å²	145.5	76%	0.757	75%	0.745	S	S	*	*				-160.8	149.5	80	-92.7	-170.7	134.3	0	0	117
146	I	42.8	Very low	40.3	Very low	128 Å²	128	138.1 Å²	138.1	66%	0.656	74%	0.739	S	S	*	*			trans	57.3	108.7	134.7	-62	176.3	0	0	0	119.1
147	S	37.8	Very low	40.2	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	74%	0.738	S	S	*	*				76.5	151.2	83.7	123.6	0	0	0	0	114.3
148	S	35.7	Very low	40.2	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	75%	0.75	S	S	*	*			cis	-179.6	-168.7	-9.9	-97.4	0	0	0	0	107
149	I	43.5	Very low	40.4	Very low	146 Å²	146	140 Å²	140	75%	0.749	75%	0.745	S	S	*	*			trans	80	136.6	160.1	-55	171.7	0	0	0	116.1
150	K	43.5	Very low	40.6	Very low	163 Å²	163	141.2 Å²	141.2	71%	0.709	76%	0.756	S	S	*	*			cis	-160.9	153.6	-26.1	-105.3	175.6	-166.2	167.9	0	107.3
151	N	38.3	Very low	40.6	Very low	141 Å²	141	138 Å²	138	75%	0.754	75%	0.747	S	S	*	*			trans	26.6	149.4	137.7	-41.7	-9.5	0	0	0	119.5
152	K	41.9	Very low	40.5	Very low	176 Å²	176	138.2 Å²	138.2	77%	0.765	76%	0.756	S	S	*	*			cis	-178.6	146	43.4	-165.9	-178.3	-179.9	-172.1	0	111
153	P	39.4	Very low	40.4	Very low	122 Å²	122	138.3 Å²	138.3	79%	0.792	76%	0.757	S	S	*	*			trans	-102.3	146.6	163.1	36.3	-30.2	0	0	0	111.9
154	T	43.7	Very low	40.3	Very low	116 Å²	116	136.5 Å²	136.5	71%	0.712	76%	0.756	S	S	*	*			trans	-155.1	140.4	171.2	-52.1	0	0	0	0	112.8
155	T	33.5	Very low	40.3	Very low	122 Å²	122	140.9 Å²	140.9	75%	0.748	76%	0.759	S	S	*	*			trans	-63	159.1	177.1	-46.8	0	0	0	0	114.4
156	G	46.3	Very low	40.4	Very low	75 Å²	75	139.7 Å²	139.7	77%	0.773	76%	0.758	S	S	*	*			trans	-163.9	94.9	164.1	0	0	0	0	0	112.5
157	D	38.3	Very low	40.4	Very low	138 Å²	138	139.1 Å²	139.1	74%	0.738	76%	0.762	S	S	*	*			trans	-76.5	141.3	170.7	-68.2	-69.9	0	0	0	111.4
158	F	42.9	Very low	40.5	Very low	216 Å²	216	139.5 Å²	139.5	95%	0.947	77%	0.765	S	S	*	*			trans	-146.1	121.4	147.9	-87.3	-66.1	0	0	0	111.5
159	S	38.6	Very low	41	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	77%	0.77	S	S	*	*			trans	-81	152.7	171.2	58	0	0	0	0	112.1
160	V	44	Very low	40.9	Very low	147 Å²	147	143.1 Å²	143.1	89%	0.891	77%	0.773	S	S	*	*			trans	-147.9	153.9	135.9	128.1	0	0	0	0	109.6
161	V	44.8	Very low	40.6	Very low	95 Å²	95	145.2 Å²	145.2	58%	0.576	78%	0.776	S	S	*	*			trans	-111.5	142.7	-163.8	-179.1	0	0	0	0	110.2
162	N	41.5	Very low	40.7	Very low	167 Å²	167	145.1 Å²	145.1	89%	0.893	78%	0.781	S	S	*	*				-170.1	158.5	128.8	-95	-35	0	0	0	113.8
163	R	34.8	Very low	40.6	Very low	230 Å²	230	143.3 Å²	143.3	87%	0.868	79%	0.785	S	S	*	*			trans	-122.7	150.3	-168.5	-45.4	173.9	-173.4	-172.6	1	110.2
164	S	38.1	Very low	40.5	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	78%	0.784	S	S	*	*				179.7	147.9	118.5	-147.3	0	0	0	0	113
165	R	40.5	Very low	40.5	Very low	213 Å²	213	149.8 Å²	149.8	80%	0.804	79%	0.792	S	S	*	*			trans	20	148.4	140.1	-66.1	-178.6	-167	162.6	5.1	120.9
166	D	38.2	Very low	40.8	Very low	137 Å²	137	149.1 Å²	149.1	73%	0.733	79%	0.79	S	S	*	*			cis	-155	165.8	-0.1	-105.6	-30.3	0	0	0	110.6
167	P	42.5	Very low	40.4	Very low	116 Å²	116	155.7 Å²	155.7	75%	0.753	79%	0.792	S	S	*	*			trans	-99.3	136.8	-169.9	35.9	-32.6	0	0	0	115.3
168	S	41.6	Very low	40.4	Very low	108 Å²	108	155.2 Å²	155.2	76%	0.755	79%	0.787	S	S	*	*			trans	-155.2	127.4	153.4	66.7	0	0	0	0	114.3
169	N	44.7	Very low	40	Very low	148 Å²	148	150.9 Å²	150.9	79%	0.791	77%	0.773	S	S	*	*			trans	25.7	113	150.1	-58.4	-31.7	0	0	0	120.1
170	Q	42.3	Very low	40.1	Very low	171 Å²	171	152 Å²	152	80%	0.799	77%	0.771	S	S	*	*				-172.3	130.7	96.3	-102.1	179.2	89.6	0	0	115.8
171	R	36.2	Very low	39.9	Very low	208 Å²	208	150.7 Å²	150.7	79%	0.785	76%	0.763	S	S	*	*			trans	54.8	94.3	130.4	-159	-180	-167.3	173.6	1.9	119.1
172	T	41	Very low	39.8	Very low	139 Å²	139	156 Å²	156	85%	0.853	78%	0.775	S	S	*	*				-156.9	152	103.9	9.6	0	0	0	0	110.8
173	V	40.1	Very low	39.6	Very low	138 Å²	138	152.1 Å²	152.1	84%	0.836	76%	0.76	S	S	*	*			trans	-111.3	123.1	-157	170.6	0	0	0	0	112.6
174	H	36.5	Very low	39.9	Very low	169 Å²	169	150.6 Å²	150.6	78%	0.782	76%	0.755	S	S	*	*			trans	-65.9	159.5	163.8	-56.1	-105.9	0	0	0	111.5
175	K	43.7	Very low	39.9	Very low	204 Å²	204	155.9 Å²	155.9	89%	0.887	76%	0.759	S	S	*	*				-168.7	160.4	114.9	-103.6	166.8	-178	-175.7	0	113
176	P	41	Very low	39.7	Very low	109 Å²	109	150 Å²	150	71%	0.708	75%	0.75	S	S	*	*			trans	-125.5	162	-159.4	44.4	-31.5	0	0	0	115.8
177	R	36.8	Very low	39.8	Very low	212 Å²	212	153.6 Å²	153.6	80%	0.8	75%	0.754	S	S	*	*				33.8	111.7	126.2	-158.5	-155.1	179.2	146.6	1.1	118
178	M	38	Very low	39.6	Very low	129 Å²	129	154.8 Å²	154.8	64%	0.635	75%	0.754	S	S	*	*				168.2	144.9	108	-86.1	-72.4	49.6	0	0	115.8
179	L	35.8	Very low	39.7	Very low	125 Å²	125	156 Å²	156	65%	0.654	75%	0.749	S	S	*	*			trans	60.8	123.9	141.5	-64	167.1	0	0	0	123.1
180	N	40.6	Very low	39.7	Very low	127 Å²	127	155.1 Å²	155.1	68%	0.679	74%	0.735	S	S	*	*				39.6	129.4	124.7	-50.7	0.7	0	0	0	119
181	T	38.9	Very low	39.8	Very low	119 Å²	119	152.7 Å²	152.7	73%	0.73	73%	0.733	S	S	*	*				-159.8	173.7	62.6	27	0	0	0	0	114.3
182	Y	42.3	Very low	40.3	Very low	207 Å²	207	149.2 Å²	149.2	81%	0.812	73%	0.73	S	S	*	*			trans	-27.2	157	169.5	-48.9	-74.5	0	0	0	118.1
183	S	38.8	Very low	40.4	Very low	85 Å²	85	148 Å²	148	59%	0.594	72%	0.724	S	S	*	*			cis	-161.4	149.8	26.8	-132.5	0	0	0	0	115.7
184	R	39.9	Very low	40.6	Very low	198 Å²	198	151.1 Å²	151.1	75%	0.747	73%	0.727	S	S	*	*			trans	70.8	111.9	140.9	-70.2	162.3	-164.8	-121	-1	123.6
185	R	38.9	Very low	41	Very low	211 Å²	211	146.1 Å²	146.1	80%	0.796	70%	0.704	S	S	*	*				67.9	104.7	119.8	-65.1	178.2	179.6	-163	-0.5	119.7
186	S	35.6	Very low	40.9	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	69%	0.685	S	S	*	*				94.5	142.5	59.3	77	0	0	0	0	117.1
187	R	40.4	Very low	40.8	Very low	214 Å²	214	143.9 Å²	143.9	81%	0.808	69%	0.686	S	S	*	*			trans	89.9	111.8	146.5	-73.4	164.7	-175.5	173.6	-0.3	122.9
188	N	38.6	Very low	41.2	Very low	141 Å²	141	141.4 Å²	141.4	75%	0.754	68%	0.677	S	S	*	*				94.6	106.5	119.1	-64	2.9	0	0	0	122.5
189	M	44.3	Very low	41.5	Very low	132 Å²	132	139.5 Å²	139.5	65%	0.65	67%	0.669	S	S	*	*				22.8	135.4	118.6	-72	-70.1	175.7	0	0	121.6
190	R	43.6	Very low	41.8	Very low	131 Å²	131	136.2 Å²	136.2	49%	0.494	66%	0.655	S	S	.	*				23.9	146.2	119.3	-97.7	-171.8	-177.6	-132.4	5.8	118.4	N69	N69-R190 PolarHBondContact OD1-NE 3.03Å; N69-R190 PolarHBondContact OD1-NH2 3.11Å
191	P	44.9	Very low	41.9	Very low	119 Å²	119	135.3 Å²	135.3	77%	0.773	65%	0.648	S	S	*	*				-155.6	-179.6	60.2	42.5	-21.8	0	0	0	118.9
192	L	46.2	Very low	42.1	Very low	135 Å²	135	135.4 Å²	135.4	71%	0.707	64%	0.639	S	S	*	*			trans	-63.8	173.1	155.8	-60.5	164.4	0	0	0	111.6
193	P	44.5	Very low	42	Very low	114 Å²	114	129.8 Å²	129.8	74%	0.74	63%	0.628	S	S	*	*			trans	-133.4	115.2	142.3	31.6	-16	0	0	0	117
194	K	43.7	Very low	42.3	Very low	203 Å²	203	133.4 Å²	133.4	88%	0.883	64%	0.639	S	S	*	*				85.3	174.9	124.1	-65.5	177.8	-179.2	179.4	0	120.7
195	Q	45.3	Very low	42.8	Very low	65 Å²	65	130.2 Å²	130.2	30%	0.304	64%	0.641	S	S	.	*			trans	-153	166.6	-151.6	169.7	-150.2	-31.7	0	0	107	T499 F500	Q195-T499 PolarHBondContact NE2-O 3.15Å; Q195-F500 HydrophobicContact CB-CD1 3.79Å; Q195-F500 HydrophobicContact CB-CE1 4.1Å; Q195-F500 HydrophobicContact CG-CB 4.05Å; Q195-F500 HydrophobicContact CG-CD1 3.48Å; Q195-F500 VanDerWaalsContact CG-CD1 3.48Å; Q195-F500 HydrophobicContact CG-CE1 4.22Å; Q195-F500 HydrophobicContact CG-CG 3.99Å
196	R	41.1	Very low	43.2	Very low	131 Å²	131	125.1 Å²	125.1	49%	0.494	64%	0.635	S	S	.	*			trans	109.3	164.2	157	-57.8	-173.2	179.9	177.2	1.8	113.5
197	D	39.1	Very low	44	Very low	135 Å²	135	127.9 Å²	127.9	72%	0.722	64%	0.638	S	S	*	*			cis	-139.8	-175.7	22.9	-91.7	-69	0	0	0	115.9
198	Y	45.6	Very low	44.5	Very low	159 Å²	159	122.8 Å²	122.8	62%	0.624	63%	0.632	S	S	*	*			trans	-144.8	118.4	-176.2	-130.6	-110.2	0	0	0	112.1	P502	Y198-P502 HydrophobicContact CE2-CG 3.82Å; Y198-P502 WeakPolarHBondContact OH-CG 3.42Å
199	I	43.2	Very low	45.1	Very low	89 Å²	89	117.4 Å²	117.4	46%	0.456	61%	0.61	S	S	.	*			trans	59	102.2	142.9	-43.1	-164	0	0	0	121.8	Y275 P278	I199-Y275 WeakPolarHBondContact CA-OH 3.42Å; I199-Y275 HydrophobicContact CG1-CE1 4.34Å; I199-Y275 HydrophobicContact CG1-CE2 4.18Å; I199-Y275 VanDerWaalsContact CG1-OH 3.31Å; I199-Y275 WeakPolarHBondContact CG1-OH 3.25Å; I199-Y275 WeakPolarHBondContact CG2-OH 3.4Å; I199-P278 HydrophobicContact CG2-CG 3.86Å
200	P	43.5	Very low	45.3	Very low	57 Å²	57	116.4 Å²	116.4	37%	0.37	61%	0.608	S	S	.	*			trans	-87.6	-170.1	162.8	-21.3	36.6	0	0	0	120.2	P277 P278 E279	P200-P277 HydrophobicContact CB-CB 4.07Å; P200-P277 HydrophobicContact CG-CB 3.88Å; P200-P277 HydrophobicContact CG-CG 4.32Å; P200-P278 WeakPolarHBondContact O-CB 3.49Å; P200-P278 VanDerWaalsContact O-CD 3.24Å; P200-P278 WeakPolarHBondContact O-CD 3.2Å; P200-P278 WeakPolarHBondContact O-CG 3.36Å; P200-E279 HydrophobicContact CB-CB 4.49Å; P200-E279 HydrophobicContact CB-CG 4.38Å; P200-E279 WeakPolarHBondContact CB-OE1 3.35Å
201	M	41.9	Very low	45.4	Very low	108 Å²	108	117 Å²	117	53%	0.532	62%	0.62	S	S	.	*			trans	-168.3	127.3	158.7	-96.3	-56.9	-37.9	0	0	115.4	P278 E279 T282	M201-P278 HydrophobicContact CG-CB 3.82Å; M201-P278 HydrophobicContact SD-CB 3.34Å; M201-P278 WeakPolarHBondContact SD-CB 3.35Å; M201-E279 WeakPolarHBondContact CA-OE1 3.06Å; M201-E279 PolarHBondContact N-OE1 3.28Å; M201-T282 HydrophobicContact CE-CG2 4.4Å
202	F	43.4	Very low	45.3	Very low	121 Å²	121	117.9 Å²	117.9	53%	0.531	61%	0.614	S	S	.	*			trans	-81.1	-161.8	175.2	-96.7	-25.6	0	0	0	112.6	E279 V280	F202-E279 WeakPolarHBondContact CA-OE2 3.47Å; F202-E279 HydrophobicContact CB-CB 4.19Å; F202-E279 HydrophobicContact CB-CG 3.96Å; F202-E279 VanDerWaalsContact CD1-CD 3.49Å; F202-E279 HydrophobicContact CD1-CG 3.5Å; F202-E279 VanDerWaalsContact CD1-CG 3.5Å; F202-E279 WeakPolarHBondContact CD1-OE2 3.5Å; F202-E279 VanDerWaalsContact CD2-C 3.41Å; F202-E279 HydrophobicContact CD2-CB 3.74Å; F202-E279 HydrophobicContact CD2-CG 3.47Å; F202-E279 VanDerWaalsContact CD2-CG 3.47Å; F202-E279 VanDerWaalsContact CD2-O 3.3Å; F202-E279 WeakPolarHBondContact CD2-O 3.45Å; F202-E279 HydrophobicContact CE1-CG 3.71Å; F202-E279 WeakPolarHBondContact CE1-OE2 3.08Å; F202-E279 HydrophobicContact CE2-CB 4.19Å; F202-E279 HydrophobicContact CE2-CG 3.7Å; F202-E279 HydrophobicContact CG-CB 3.88Å; F202-E279 HydrophobicContact CG-CG 3.3Å; F202-E279 VanDerWaalsContact CG-OE2 3.29Å; F202-E279 WeakPolarHBondContact CG-OE2 3.29Å; F202-E279 HydrophobicContact CZ-CG 3.79Å; F202-E279 PolarHBondContact N-OE1 2.94Å; F202-E279 PolarHBondContact N-OE2 2.92Å; F202-V280 HydrophobicContact CD2-CG1 4.4Å; F202-V280 HydrophobicContact CE2-CG1 4Å
203	P	40.4	Very low	45.2	Very low	89 Å²	89	119.6 Å²	119.6	58%	0.578	62%	0.615	S	S	*	*			cis	-144.9	176.6	0.7	16.9	12.8	0	0	0	122.2
204	I	43.8	Very low	45	Very low	161 Å²	161	121.9 Å²	121.9	83%	0.826	61%	0.614	S	S	*	*			trans	92.3	137.8	139.1	-82.9	158.8	0	0	0	123.5
205	V	51.4	Low	44.9	Very low	131 Å²	131	115.6 Å²	115.6	79%	0.794	61%	0.606	S	S	*	*			trans	-156.8	147.2	178.3	-166.3	0	0	0	0	113.1
206	P	46.6	Very low	44.9	Very low	104 Å²	104	122.6 Å²	122.6	68%	0.675	63%	0.631	S	S	*	*			trans	-125.8	173.2	168.4	45.2	-33.4	0	0	0	113.6
207	H	52.6	Low	45.5	Very low	147 Å²	147	121.7 Å²	121.7	68%	0.681	64%	0.643	S	S	*	*			cis	74.8	164.9	10	-56.9	-61.8	0	0	0	118.4	E338	H207-E338 IonicContact CE1-OE2 3.57Å; H207-E338 IonicContact ND1-OE1 3.92Å; H207-E338 IonicContact ND1-OE2 3.04Å; H207-E338 PolarHBondContact ND1-OE2 2.68Å
208	P	51.7	Low	46.1	Very low	106 Å²	106	120.5 Å²	120.5	69%	0.688	64%	0.642	S	S	*	*			cis	-135.3	-179.3	-5.8	43.1	-26.7	0	0	0	117.1	E338	P208-E338 WeakPolarHBondContact CA-OE1 3.48Å
209	G	51.4	Low	46	Very low	29 Å²	29	120.4 Å²	120.4	30%	0.299	65%	0.651	S	S	.	*			trans	109.6	179.9	133.3	0	0	0	0	0	120.2	E338 K341	G209-E338 PolarHBondContact N-OE1 2.78Å; G209-K341 PolarHBondContact O-NZ 2.89Å
210	N	47.7	Very low	45.8	Very low	110 Å²	110	122.2 Å²	122.2	59%	0.588	67%	0.666	S	S	*	*			cis	-169	-171.8	-2.5	-165.1	-90.7	0	0	0	109.7
211	L	46.3	Very low	45.7	Very low	144 Å²	144	128.5 Å²	128.5	75%	0.754	69%	0.69	S	S	*	*			trans	80.4	158.9	171.8	-47	169.5	0	0	0	116.2
212	H	42.3	Very low	45.4	Very low	138 Å²	138	130.5 Å²	130.5	64%	0.639	70%	0.703	S	S	*	*			cis	-159.8	166.4	7.7	-154.7	46.7	0	0	0	116.9	F214	H212-F214 AromaticContact CE1-CE2 3.86Å; H212-F214 AromaticContact NE2-CD2 3.95Å; H212-F214 AromaticContact NE2-CE2 3.68Å
213	K	44.9	Very low	45.9	Very low	171 Å²	171	130.1 Å²	130.1	74%	0.743	71%	0.713	S	S	*	*			trans	99.8	74.4	143.8	-136.9	-179.4	-174.4	178.3	0	124.8
214	F	38.8	Very low	46.7	Very low	162 Å²	162	130.5 Å²	130.5	71%	0.711	72%	0.715	S	S	*	*			trans	57.8	130.2	132.9	-72.7	-81.4	0	0	0	125.4	H212 Y216	H212-F214 AromaticContact CE1-CE2 3.86Å; H212-F214 AromaticContact NE2-CD2 3.95Å; H212-F214 AromaticContact NE2-CE2 3.68Å; F214-Y216 HydrophobicContact CD1-CE2 4.21Å; F214-Y216 HydrophobicContact CE1-CE2 4.41Å
215	G	42.1	Very low	46.7	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	72%	0.722	S	S	*	*			trans	174	138.8	155.7	0	0	0	0	0	112.2
216	Y	44.6	Very low	46.2	Very low	212 Å²	212	138.5 Å²	138.5	83%	0.831	73%	0.727	S	S	*	*			trans	-117.8	136.6	-168.6	-84.1	-87.1	0	0	0	115.8	F214	F214-Y216 HydrophobicContact CD1-CE2 4.21Å; F214-Y216 HydrophobicContact CE1-CE2 4.41Å
217	P	54.8	Low	46.2	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	74%	0.738	S	S	*	*			trans	-104	-163.9	166.1	43.6	-36.4	0	0	0	111
218	P	51.3	Low	45.5	Very low	110 Å²	110	142.5 Å²	142.5	71%	0.714	74%	0.744	S	S	*	*			cis	-132.3	-158.1	-4.9	44.5	-26.4	0	0	0	113.4
219	I	42.5	Very low	44.9	Very low	156 Å²	156	142 Å²	142	80%	0.8	74%	0.743	S	S	*	*			trans	177.6	123	132.5	-90.6	156.9	0	0	0	114.6
220	V	40.3	Very low	44.5	Very low	127 Å²	127	148.4 Å²	148.4	77%	0.77	77%	0.768	S	S	*	*			trans	18.5	121.5	144.7	-166.8	0	0	0	0	122.3
221	Q	40.8	Very low	44.1	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	78%	0.779	S	S	*	*				-167.2	159.6	117	-107.6	178.3	12.4	0	0	115.1
222	N	36.3	Very low	43.7	Very low	151 Å²	151	149.7 Å²	149.7	81%	0.807	79%	0.785	S	S	*	*			trans	-161.3	172.4	-174.6	-113	-28.6	0	0	0	106.2
223	P	54.4	Low	44.6	Very low	112 Å²	112	148.4 Å²	148.4	73%	0.727	79%	0.789	S	S	*	*			cis	-128.1	-110.9	-11.8	24.5	1.9	0	0	0	115.1
224	P	56.3	Low	44.9	Very low	97 Å²	97	146.3 Å²	146.3	63%	0.63	79%	0.793	S	S	*	*				-131	175.8	-109.9	41.4	-24.3	0	0	0	117.5
225	F	44.6	Very low	45.1	Very low	223 Å²	223	148.2 Å²	148.2	98%	0.978	80%	0.801	S	S	*	*			trans	-145.3	167.5	151.7	-82.5	-64.3	0	0	0	113.7
226	R	40.9	Very low	45.3	Very low	238 Å²	238	154.5 Å²	154.5	90%	0.898	81%	0.809	S	S	*	*			trans	-107.8	165.2	-173	-60.8	174.9	173	177	-2.3	112.7
227	L	45.2	Very low	45	Very low	173 Å²	173	147.5 Å²	147.5	91%	0.906	80%	0.801	S	S	*	*				-168.3	-172.2	128.8	-103.6	165.4	0	0	0	112.9
228	M	39.4	Very low	44.5	Very low	161 Å²	161	149.4 Å²	149.4	79%	0.793	80%	0.8	S	S	*	*			trans	-135.7	167.7	-151.9	-70.8	171.9	52.6	0	0	117.8
229	S	38.8	Very low	44.1	Very low	97 Å²	97	152 Å²	152	68%	0.678	81%	0.807	S	S	*	*			trans	82.3	108.7	141.2	53.1	0	0	0	0	124.9
230	I	42.2	Very low	44	Very low	162 Å²	162	147.5 Å²	147.5	83%	0.831	80%	0.799	S	S	*	*				53	125.1	117.4	-55	157.3	0	0	0	121.3
231	S	39.9	Very low	44.2	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	80%	0.803	S	S	*	*				-174.4	172	129.6	41.6	0	0	0	0	112.8
232	N	37.9	Very low	44.2	Very low	164 Å²	164	149.9 Å²	149.9	88%	0.877	80%	0.798	S	S	*	*			trans	-126.3	162.8	-165.1	-90.8	-37.1	0	0	0	114.6
233	P	61.6	Low	44.4	Very low	112 Å²	112	151.6 Å²	151.6	73%	0.727	79%	0.794	S	S	*	*			trans	-106.5	170.4	-171	41.1	-36.8	0	0	0	116.1
234	P	51.1	Low	43.9	Very low	127 Å²	127	156 Å²	156	83%	0.825	80%	0.796	S	S	*	*			trans	-105.3	-180	169.9	39.1	-31.7	0	0	0	114.5
235	K	43	Very low	43.2	Very low	201 Å²	201	157.4 Å²	157.4	87%	0.874	80%	0.799	S	S	*	*			trans	-121.6	160.6	-175.3	-58.2	171.7	-176.2	171	0	112
236	F	44.7	Very low	43.1	Very low	203 Å²	203	154.8 Å²	154.8	89%	0.89	79%	0.787	S	S	*	*			trans	-131.1	158.7	162.9	-109.5	-88.1	0	0	0	111.2
237	G	38.5	Very low	43	Very low	64 Å²	64	153.5 Å²	153.5	66%	0.66	78%	0.782	S	S	*	*			trans	-178.2	151.9	174	0	0	0	0	0	112.3
238	H	45.8	Very low	43.1	Very low	154 Å²	154	153.1 Å²	153.1	71%	0.713	78%	0.775	S	S	*	*			trans	-145.2	139.9	-178	-90.6	-93.8	0	0	0	111.8
239	L	41.8	Very low	43	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	77%	0.772	S	S	*	*			trans	49.2	144.6	140.1	-52.2	171.3	0	0	0	119.9
240	G	41.2	Very low	42.9	Very low	62 Å²	62	157 Å²	157	64%	0.639	78%	0.782	S	S	*	*			cis	162.9	170.2	0.5	0	0	0	0	0	110.9
241	L	44	Very low	42.8	Very low	163 Å²	163	154.1 Å²	154.1	85%	0.853	77%	0.774	S	S	*	*			trans	67.2	121.5	179.4	-45.8	175.7	0	0	0	114.7
242	R	40.5	Very low	42.4	Very low	203 Å²	203	155.2 Å²	155.2	77%	0.766	77%	0.768	S	S	*	*			cis	103.4	143.1	16.5	-68	-166.2	174.6	-165.6	2.2	115.9
243	Y	41	Very low	42.2	Very low	187 Å²	187	156.6 Å²	156.6	73%	0.733	76%	0.761	S	S	*	*			trans	80.1	155.2	166.9	-51.8	-77.5	0	0	0	119
244	R	43.8	Very low	41.1	Very low	203 Å²	203	158.9 Å²	158.9	77%	0.766	77%	0.766	S	S	*	*				-169.1	146.4	-58.1	-128.9	-173.4	173.4	-174.2	-1.4	110.5
245	N	41.4	Very low	40.2	Very low	128 Å²	128	157.3 Å²	157.3	68%	0.684	76%	0.758	S	S	*	*			trans	69.3	168.8	161.5	-47.5	-32.2	0	0	0	115.2
246	K	42.8	Very low	40	Very low	167 Å²	167	155.4 Å²	155.4	73%	0.726	76%	0.758	S	S	*	*			cis	-158.3	134.6	10.6	-148.3	165.6	-174.1	179.3	0	110.6
247	R	37.8	Very low	39.6	Very low	212 Å²	212	150.6 Å²	150.6	80%	0.8	75%	0.749	S	S	*	*			trans	64.4	149.1	169.8	-58.6	171.8	176.6	174	-3.1	114.6
248	Q	47.3	Very low	39.6	Very low	164 Å²	164	152.9 Å²	152.9	77%	0.766	76%	0.755	S	S	*	*			cis	-161.4	165.8	-11.1	-112.4	161.3	-115.1	0	0	106.3
249	S	38.6	Very low	39.3	Very low	105 Å²	105	155.1 Å²	155.1	73%	0.734	76%	0.759	S	S	*	*			cis	-153.8	-171.7	-2.1	59.6	0	0	0	0	110.6
250	R	37.2	Very low	39	Very low	235 Å²	235	158.4 Å²	158.4	89%	0.887	76%	0.76	S	S	*	*			trans	-146.8	172.8	169.7	-85.2	-171.4	-179.3	-170.7	1.1	106.2
251	P	39.6	Very low	39	Very low	101 Å²	101	163.4 Å²	163.4	66%	0.656	77%	0.766	S	S	*	*			cis	-151.7	-178.3	31	46.1	-25.3	0	0	0	118.5
252	M	31.4	Very low	38.4	Very low	140 Å²	140	163.9 Å²	163.9	69%	0.69	76%	0.764	S	S	*	*			trans	40.9	155.1	135.9	-70.9	-165.4	-58.1	0	0	122
253	R	32.8	Very low	38.3	Very low	194 Å²	194	162.6 Å²	162.6	73%	0.732	77%	0.77	S	S	*	*			cis	-166.4	172.3	19.6	-134.1	165.3	-159.2	172.8	4.5	110.7
254	L	39	Very low	38	Very low	159 Å²	159	165.1 Å²	165.1	83%	0.832	78%	0.779	S	S	*	*			trans	64.9	127.1	160.1	-59	154.2	0	0	0	116.6
255	S	32.5	Very low	37.5	Very low	95 Å²	95	161.2 Å²	161.2	66%	0.664	78%	0.783	S	S	*	*			cis	102.9	107.9	18	-171.2	0	0	0	0	114.7
256	N	38.1	Very low	37.4	Very low	160 Å²	160	160.7 Å²	160.7	86%	0.856	79%	0.789	S	S	*	*			trans	173.1	106.7	152.2	-88.8	-16.3	0	0	0	106.2
257	S	35.8	Very low	37.7	Very low	102 Å²	102	159.3 Å²	159.3	71%	0.713	79%	0.794	S	S	*	*			cis	75.1	100.7	39.6	-160.5	0	0	0	0	114.5
258	S	39.6	Very low	38	Very low	113 Å²	113	155.7 Å²	155.7	79%	0.79	79%	0.791	S	S	*	*			trans	-168.2	111.4	149.6	-86.1	0	0	0	0	112.9
259	Y	39.3	Very low	38.6	Very low	201 Å²	201	153.4 Å²	153.4	79%	0.788	79%	0.79	S	S	*	*			trans	31.4	109.1	149.2	-71.3	-97.7	0	0	0	121.4
260	R	36.5	Very low	39.2	Very low	233 Å²	233	157.9 Å²	157.9	88%	0.879	79%	0.792	S	S	*	*				-158.2	151.8	89	-109.1	-174.5	174.5	-146.2	-3	112.6
261	Q	40.4	Very low	40.3	Very low	166 Å²	166	149.2 Å²	149.2	78%	0.776	78%	0.776	S	S	*	*			trans	-76.6	162.5	-155.4	-67.6	139.6	-47.1	0	0	115.9
262	H	31.1	Very low	41.3	Very low	174 Å²	174	150.8 Å²	150.8	81%	0.806	78%	0.784	S	S	*	*			trans	-94.5	150.3	177.4	-45.9	-84.7	0	0	0	112.5
263	I	39.4	Very low	43.1	Very low	175 Å²	175	154.9 Å²	154.9	90%	0.897	79%	0.793	S	S	*	*			trans	-126.8	133.8	137.1	-63.1	-176.7	0	0	0	106.9
264	R	33.5	Very low	45.2	Very low	241 Å²	241	151 Å²	151	91%	0.909	79%	0.791	S	S	*	*			trans	-85.3	142.1	177.9	-68.6	175.9	168.5	-168	-2.8	110.3
265	S	33.6	Very low	46.9	Very low	121 Å²	121	149.4 Å²	149.4	85%	0.846	77%	0.774	S	S	*	*			trans	-124.1	144.4	149.9	65	0	0	0	0	108.9
266	S	38.4	Very low	49.2	Very low	117 Å²	117	147.6 Å²	147.6	82%	0.818	76%	0.757	S	S	*	*			trans	-126	95.1	-168.6	51.9	0	0	0	0	110.8
267	V	50	Low	51.3	Low	137 Å²	137	142.4 Å²	142.4	83%	0.83	73%	0.732	S	S	*	*			trans	-138.2	136.8	171.4	-172.3	0	0	0	0	108.3
268	N	44.7	Very low	53.2	Low	137 Å²	137	138.6 Å²	138.6	73%	0.733	71%	0.705	S	S	*	*			trans	-66.5	134.7	-173.8	-77	-26.5	0	0	0	112.5	Y270	N268-Y270 PolarHBondContact O-N 3Å; N268-Y270 VanDerWaalsContact O-N 3.09Å
269	P	58.2	Low	54.8	Low	116 Å²	116	135.1 Å²	135.1	75%	0.753	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	18.6	177.1	35.6	-38	0	0	0	113.7
270	Y	52.9	Low	56.5	Low	198 Å²	198	127.9 Å²	127.9	78%	0.776	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	14.8	-167.6	-67.8	-72.9	0	0	0	114.2	N268 V272	N268-Y270 PolarHBondContact O-N 3Å; N268-Y270 VanDerWaalsContact O-N 3.09Å; Y270-V272 PolarHBondContact O-N 2.72Å
271	G	59.3	Low	58	Low	54 Å²	54	118.3 Å²	118.3	56%	0.557	62%	0.623	S	S	*	*			trans	-72.1	118.9	177.7	0	0	0	0	0	112.8	Y273	G271-Y273 WeakPolarHBondContact O-CD2 3.46Å; G271-Y273 PolarHBondContact O-N 2.84Å
272	V	61.2	Low	59.1	Low	134 Å²	134	113.2 Å²	113.2	81%	0.812	60%	0.603	S	S	*	*			trans	-78.4	111.3	168.8	178.1	0	0	0	0	108.8	Y270 V274	Y270-V272 PolarHBondContact O-N 2.72Å; V272-V274 HydrophobicContact CG1-CG2 4.36Å; V272-V274 PolarHBondContact O-N 2.77Å
273	Y	68.3	Low	60.5	Low	226 Å²	226	108.4 Å²	108.4	89%	0.886	59%	0.586	S	S	*	*			trans	-81.7	92.5	174.3	-71.3	-88.4	0	0	0	110.2	G271 Y275	G271-Y273 WeakPolarHBondContact O-CD2 3.46Å; G271-Y273 PolarHBondContact O-N 2.84Å; Y273-Y275 PolarHBondContact O-N 2.66Å
274	V	76.9	Confident	61.3	Low	112 Å²	112	105.8 Å²	105.8	68%	0.679	57%	0.572	S	S	*	*			trans	-69.8	119.1	165.8	-172	0	0	0	0	107.7	V272 L276	V272-V274 HydrophobicContact CG1-CG2 4.36Å; V272-V274 PolarHBondContact O-N 2.77Å; V274-L276 VanDerWaalsContact C-N 3.34Å; V274-L276 HydrophobicContact CB-CD1 4.24Å; V274-L276 HydrophobicContact CG1-CD1 3.72Å; V274-L276 PolarHBondContact O-N 3.41Å
275	Y	74.6	Confident	62.5	Low	125 Å²	125	102.3 Å²	102.3	49%	0.49	57%	0.566	S	S	.	*			trans	-77.8	88.5	175.2	-170.5	-92.1	0	0	0	109.7	I199 Y273 P277 P278	I199-Y275 WeakPolarHBondContact CA-OH 3.42Å; I199-Y275 HydrophobicContact CG1-CE1 4.34Å; I199-Y275 HydrophobicContact CG1-CE2 4.18Å; I199-Y275 VanDerWaalsContact CG1-OH 3.31Å; I199-Y275 WeakPolarHBondContact CG1-OH 3.25Å; I199-Y275 WeakPolarHBondContact CG2-OH 3.4Å; Y273-Y275 PolarHBondContact O-N 2.66Å; Y275-P277 WeakPolarHBondContact O-CD 3.16Å; Y275-P278 VanDerWaalsContact OH-CD 3.22Å; Y275-P278 WeakPolarHBondContact OH-CD 3.42Å; Y275-P278 WeakPolarHBondContact OH-CG 3.25Å
276	L	82.1	Confident	63.5	Low	58 Å²	58	104.2 Å²	104.2	30%	0.304	56%	0.561	S	S	.	*			trans	-67.8	131.9	172.1	-108.1	68.1	0	0	0	109.8	V274 P278 V280 M284	V274-L276 VanDerWaalsContact C-N 3.34Å; V274-L276 HydrophobicContact CB-CD1 4.24Å; V274-L276 HydrophobicContact CG1-CD1 3.72Å; V274-L276 PolarHBondContact O-N 3.41Å; L276-P278 WeakPolarHBondContact O-CD 3.09Å; L276-V280 HydrophobicContact CB-CG2 4.25Å; L276-V280 HydrophobicContact CD2-CB 4.23Å; L276-V280 HydrophobicContact CD2-CG2 3.74Å; L276-V280 HydrophobicContact CG-CG2 3.74Å; L276-M284 HydrophobicContact CD2-CB 4.38Å; L276-M284 HydrophobicContact CD2-CG 3.67Å; L276-M284 HydrophobicContact CD2-SD 4.45Å
277	P	80.8	Confident	63.8	Low	50 Å²	50	109 Å²	109	33%	0.325	56%	0.562	S	S	.	*			trans	-46.5	126	158.7	-31.2	40.4	0	0	0	110.1	P200 Y275 E279 V280 A281	P200-P277 HydrophobicContact CB-CB 4.07Å; P200-P277 HydrophobicContact CG-CB 3.88Å; P200-P277 HydrophobicContact CG-CG 4.32Å; Y275-P277 WeakPolarHBondContact O-CD 3.16Å; P277-E279 VanDerWaalsContact C-CB 3.42Å; P277-E279 HydrophobicContact CB-CB 3.2Å; P277-E279 HydrophobicContact CB-CG 3.77Å; P277-E279 CarbonylContact O-C 3.52Å; P277-E279 WeakPolarHBondContact O-CA 3.32Å; P277-E279 WeakPolarHBondContact O-CB 3.39Å; P277-E279 PolarHBondContact O-N 2.8Å; P277-V280 HydrophobicContact CB-CG2 4.3Å; P277-V280 VanDerWaalsContact O-CG2 3.28Å; P277-V280 WeakPolarHBondContact O-CG2 3.17Å; P277-V280 PolarHBondContact O-N 2.91Å; P277-A281 PolarHBondContact O-N 3Å; P277-A281 VanDerWaalsContact O-N 3.09Å
278	P	76.2	Confident	63.4	Low	23 Å²	23	107.5 Å²	107.5	15%	0.149	56%	0.557	C	S	.	*	H	α-helix	trans	-57.2	-32.9	-179.9	-31.9	39	0	0	0	113.3	I199 P200 M201 Y275 L276 V280 A281 T282	I199-P278 HydrophobicContact CG2-CG 3.86Å; P200-P278 WeakPolarHBondContact O-CB 3.49Å; P200-P278 VanDerWaalsContact O-CD 3.24Å; P200-P278 WeakPolarHBondContact O-CD 3.2Å; P200-P278 WeakPolarHBondContact O-CG 3.36Å; M201-P278 HydrophobicContact CG-CB 3.82Å; M201-P278 HydrophobicContact SD-CB 3.34Å; M201-P278 WeakPolarHBondContact SD-CB 3.35Å; Y275-P278 VanDerWaalsContact OH-CD 3.22Å; Y275-P278 WeakPolarHBondContact OH-CD 3.42Å; Y275-P278 WeakPolarHBondContact OH-CG 3.25Å; L276-P278 WeakPolarHBondContact O-CD 3.09Å; P278-V280 VanDerWaalsContact C-N 3.29Å; P278-V280 PolarHBondContact O-N 2.62Å; P278-A281 PolarHBondContact O-N 3.02Å; P278-T282 PolarHBondContact O-N 2.66Å
279	E	73.1	Confident	63.4	Low	40 Å²	40	106.5 Å²	106.5	19%	0.187	56%	0.556	C	S	.	*	H	α-helix	trans	5.4	-78.4	133.5	-124.4	63.5	41.9	0	0	113.4	P200 M201 F202 P277	P200-E279 HydrophobicContact CB-CB 4.49Å; P200-E279 HydrophobicContact CB-CG 4.38Å; P200-E279 WeakPolarHBondContact CB-OE1 3.35Å; M201-E279 WeakPolarHBondContact CA-OE1 3.06Å; M201-E279 PolarHBondContact N-OE1 3.28Å; F202-E279 WeakPolarHBondContact CA-OE2 3.47Å; F202-E279 HydrophobicContact CB-CB 4.19Å; F202-E279 HydrophobicContact CB-CG 3.96Å; F202-E279 VanDerWaalsContact CD1-CD 3.49Å; F202-E279 HydrophobicContact CD1-CG 3.5Å; F202-E279 VanDerWaalsContact CD1-CG 3.5Å; F202-E279 WeakPolarHBondContact CD1-OE2 3.5Å; F202-E279 VanDerWaalsContact CD2-C 3.41Å; F202-E279 HydrophobicContact CD2-CB 3.74Å; F202-E279 HydrophobicContact CD2-CG 3.47Å; F202-E279 VanDerWaalsContact CD2-CG 3.47Å; F202-E279 VanDerWaalsContact CD2-O 3.3Å; F202-E279 WeakPolarHBondContact CD2-O 3.45Å; F202-E279 HydrophobicContact CE1-CG 3.71Å; F202-E279 WeakPolarHBondContact CE1-OE2 3.08Å; F202-E279 HydrophobicContact CE2-CB 4.19Å; F202-E279 HydrophobicContact CE2-CG 3.7Å; F202-E279 HydrophobicContact CG-CB 3.88Å; F202-E279 HydrophobicContact CG-CG 3.3Å; F202-E279 VanDerWaalsContact CG-OE2 3.29Å; F202-E279 WeakPolarHBondContact CG-OE2 3.29Å; F202-E279 HydrophobicContact CZ-CG 3.79Å; F202-E279 PolarHBondContact N-OE1 2.94Å; F202-E279 PolarHBondContact N-OE2 2.92Å; P277-E279 VanDerWaalsContact C-CB 3.42Å; P277-E279 HydrophobicContact CB-CB 3.2Å; P277-E279 HydrophobicContact CB-CG 3.77Å; P277-E279 CarbonylContact O-C 3.52Å; P277-E279 WeakPolarHBondContact O-CA 3.32Å; P277-E279 WeakPolarHBondContact O-CB 3.39Å; P277-E279 PolarHBondContact O-N 2.8Å
280	V	75.3	Confident	62.4	Low	49 Å²	49	108.5 Å²	108.5	30%	0.297	56%	0.561	S	S	.	*	H	α-helix	trans	-101.6	-8.5	179	-80.2	0	0	0	0	113.9	F202 L276 P277 P278 T282 T283 M284	F202-V280 HydrophobicContact CD2-CG1 4.4Å; F202-V280 HydrophobicContact CE2-CG1 4Å; L276-V280 HydrophobicContact CB-CG2 4.25Å; L276-V280 HydrophobicContact CD2-CB 4.23Å; L276-V280 HydrophobicContact CD2-CG2 3.74Å; L276-V280 HydrophobicContact CG-CG2 3.74Å; P277-V280 HydrophobicContact CB-CG2 4.3Å; P277-V280 VanDerWaalsContact O-CG2 3.28Å; P277-V280 WeakPolarHBondContact O-CG2 3.17Å; P277-V280 PolarHBondContact O-N 2.91Å; P278-V280 VanDerWaalsContact C-N 3.29Å; P278-V280 PolarHBondContact O-N 2.62Å; V280-T282 VanDerWaalsContact C-N 3.28Å; V280-T282 PolarHBondContact O-N 3.17Å; V280-T283 PolarHBondContact O-N 3.19Å; V280-T283 PolarHBondContact O-OG1 3.4Å; V280-M284 VanDerWaalsContact O-CG 3.3Å; V280-M284 WeakPolarHBondContact O-CG 3.27Å; V280-M284 PolarHBondContact O-N 3.05Å
281	A	69.1	Low	61.9	Low	31 Å²	31	107.6 Å²	107.6	26%	0.256	56%	0.561	S	S	.	*	H	α-helix	trans	-65.5	-33.5	178.7	0	0	0	0	0	112.2	P277 P278 Q285	P277-A281 PolarHBondContact O-N 3Å; P277-A281 VanDerWaalsContact O-N 3.09Å; P278-A281 PolarHBondContact O-N 3.02Å; A281-Q285 WeakPolarHBondContact O-CB 3.41Å; A281-Q285 VanDerWaalsContact O-CG 3.31Å; A281-Q285 WeakPolarHBondContact O-CG 3.48Å; A281-Q285 PolarHBondContact O-N 3.19Å; A281-Q285 VanDerWaalsContact O-N 3.11Å
282	T	63.4	Low	60.9	Low	59 Å²	59	113.4 Å²	113.4	36%	0.362	58%	0.576	S	S	.	*	H	α-helix	trans	-65.6	-45.7	173.9	52.7	0	0	0	0	111.7	M201 P278 V280 M284 Q285 Q286	M201-T282 HydrophobicContact CE-CG2 4.4Å; P278-T282 PolarHBondContact O-N 2.66Å; V280-T282 VanDerWaalsContact C-N 3.28Å; V280-T282 PolarHBondContact O-N 3.17Å; T282-M284 PolarHBondContact O-N 3.23Å; T282-Q285 PolarHBondContact O-N 3.05Å; T282-Q286 PolarHBondContact O-N 2.99Å
283	T	59.4	Low	60.4	Low	73 Å²	73	113.5 Å²	113.5	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-38.3	-179.4	67.1	0	0	0	0	111.7	V280 Q286	V280-T283 PolarHBondContact O-N 3.19Å; V280-T283 PolarHBondContact O-OG1 3.4Å; T283-Q286 PolarHBondContact O-N 2.68Å
284	M	56.6	Low	59	Low	121 Å²	121	111.1 Å²	111.1	60%	0.596	57%	0.573	S	S	*	*	H	α-helix	trans	-69.7	-30.7	175.5	-68.1	-92.8	81	0	0	113.2	L276 V280 T282 Q286	L276-M284 HydrophobicContact CD2-CB 4.38Å; L276-M284 HydrophobicContact CD2-CG 3.67Å; L276-M284 HydrophobicContact CD2-SD 4.45Å; V280-M284 VanDerWaalsContact O-CG 3.3Å; V280-M284 WeakPolarHBondContact O-CG 3.27Å; V280-M284 PolarHBondContact O-N 3.05Å; T282-M284 PolarHBondContact O-N 3.23Å; M284-Q286 PolarHBondContact O-N 3.03Å
285	Q	58	Low	57.2	Low	168 Å²	168	117 Å²	117	79%	0.785	58%	0.583	S	S	*	*	H	α-helix	trans	-72.6	-13.1	176.6	-80.9	-177.6	-17.9	0	0	114.2	A281 T282	A281-Q285 WeakPolarHBondContact O-CB 3.41Å; A281-Q285 VanDerWaalsContact O-CG 3.31Å; A281-Q285 WeakPolarHBondContact O-CG 3.48Å; A281-Q285 PolarHBondContact O-N 3.19Å; A281-Q285 VanDerWaalsContact O-N 3.11Å; T282-Q285 PolarHBondContact O-N 3.05Å
286	Q	55.4	Low	55.7	Low	160 Å²	160	121.1 Å²	121.1	75%	0.748	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-12.9	-178.9	-70.2	-178.1	-77.3	0	0	114.6	T282 T283 M284	T282-Q286 PolarHBondContact O-N 2.99Å; T283-Q286 PolarHBondContact O-N 2.68Å; M284-Q286 PolarHBondContact O-N 3.03Å
287	R	45.1	Very low	53.6	Low	218 Å²	218	130 Å²	130	82%	0.823	63%	0.634	S	S	*	*	S	Bend	trans	-100.7	127.3	173.6	-76.6	-171.9	166.7	-174.1	-4.7	111
288	S	40.8	Very low	51.7	Low	105 Å²	105	131.2 Å²	131.2	73%	0.734	66%	0.655	S	S	*	*			trans	-88.9	126.3	-160.2	42.8	0	0	0	0	114.4
289	T	44	Very low	50.3	Low	117 Å²	117	136.9 Å²	136.9	72%	0.718	69%	0.689	S	S	*	*			trans	-131.3	125.7	146.3	56.7	0	0	0	0	108.8	F291	T289-F291 PolarHBondContact O-N 3.14Å
290	N	37.2	Very low	48.5	Very low	158 Å²	158	146.4 Å²	146.4	85%	0.845	72%	0.723	S	S	*	*			trans	-76	115.8	-169	-67.2	-58.3	0	0	0	112.5
291	F	43	Very low	46.8	Very low	178 Å²	178	156.3 Å²	156.3	78%	0.781	76%	0.755	S	S	*	*			trans	-121.2	133.1	161.6	-69.9	-73.4	0	0	0	110.2	T289 V293	T289-F291 PolarHBondContact O-N 3.14Å; F291-V293 PolarHBondContact O-N 2.89Å
292	M	39	Very low	45.3	Very low	177 Å²	177	165.8 Å²	165.8	87%	0.872	78%	0.784	S	S	*	*			trans	-64.5	114.7	-165.1	-66.6	170.3	67	0	0	112.8	H294	M292-H294 PolarHBondContact O-N 2.8Å
293	V	49.3	Very low	44.3	Very low	136 Å²	136	171.8 Å²	171.8	82%	0.824	81%	0.811	S	S	*	*			trans	-70	99.7	170.5	-179.8	0	0	0	0	109.3	F291 R295	F291-V293 PolarHBondContact O-N 2.89Å; V293-R295 PolarHBondContact O-N 2.91Å; V293-R295 VanDerWaalsContact O-N 3.11Å
294	H	40.5	Very low	43.5	Very low	176 Å²	176	174.5 Å²	174.5	82%	0.815	82%	0.822	S	S	*	*			trans	-65.4	109.3	178.6	-127.6	-76	0	0	0	110.4	M292 F296	M292-H294 PolarHBondContact O-N 2.8Å; H294-F296 PolarHBondContact O-N 2.86Å
295	R	38.3	Very low	42.9	Very low	235 Å²	235	174.6 Å²	174.6	89%	0.887	82%	0.821	S	S	*	*			trans	-68.8	110.9	-179.8	-65.6	-178.9	179.7	-178.6	-0	110.9	V293	V293-R295 PolarHBondContact O-N 2.91Å; V293-R295 VanDerWaalsContact O-N 3.11Å
296	F	42.7	Very low	42.1	Very low	212 Å²	212	176.7 Å²	176.7	93%	0.93	82%	0.821	S	S	*	*			trans	-86.7	120.5	162.2	-143.7	-89.3	0	0	0	109.4	H294 G298	H294-F296 PolarHBondContact O-N 2.86Å; F296-G298 PolarHBondContact O-N 2.93Å
297	R	38	Very low	41.2	Very low	245 Å²	245	178.6 Å²	178.6	93%	0.925	83%	0.827	S	S	*	*			trans	-75.3	109.8	-179.6	-84.3	-177.4	164.6	-152.4	1.3	110.5
298	G	42.1	Very low	41	Very low	75 Å²	75	173.2 Å²	173.2	77%	0.773	83%	0.83	S	S	*	*			trans	-113.9	124.4	167.6	0	0	0	0	0	111.2	F296 R300	F296-G298 PolarHBondContact O-N 2.93Å; G298-R300 PolarHBondContact O-N 2.78Å
299	T	46.9	Very low	41	Very low	141 Å²	141	174 Å²	174	87%	0.865	83%	0.83	S	S	*	*			trans	-73.1	117.3	-168.1	35.8	0	0	0	0	115.4
300	R	34.4	Very low	40.9	Very low	240 Å²	240	180.5 Å²	180.5	91%	0.906	84%	0.841	S	S	*	*			trans	19.8	115.8	142	-63.5	179.9	175.1	-171.9	-1	118	G298	G298-R300 PolarHBondContact O-N 2.78Å
301	R	40.4	Very low	41	Very low	257 Å²	257	180.3 Å²	180.3	97%	0.97	84%	0.839	S	S	*	*				-140.5	137.4	127.3	-105.9	177.1	-179.7	166.5	0.3	109
302	R	36.2	Very low	40.8	Very low	230 Å²	230	179.2 Å²	179.2	87%	0.868	84%	0.841	S	S	*	*			trans	-92.5	140.3	171.4	-66.7	175	176.2	162.7	-5	108
303	M	42.8	Very low	41	Very low	186 Å²	186	176.2 Å²	176.2	92%	0.916	84%	0.835	S	S	*	*			trans	-137	142.7	139	-76.8	-155.2	77.9	0	0	109.1
304	L	43.8	Very low	40.5	Very low	129 Å²	129	181.3 Å²	181.3	68%	0.675	84%	0.839	S	S	*	*			trans	-87.4	174.4	167.8	-54.4	81.4	0	0	0	106.9
305	E	43.2	Very low	40.9	Very low	124 Å²	124	179.6 Å²	179.6	58%	0.579	84%	0.841	S	S	*	*			cis	-164.3	176.3	14.3	-150.6	168.2	-104.5	0	0	110.9
306	R	41.3	Very low	41.4	Very low	211 Å²	211	177.1 Å²	177.1	80%	0.796	84%	0.839	S	S	*	*			trans	72.3	102.7	164.4	-59.9	142.8	-155.5	-168	6.3	115.1
307	K	36	Very low	41.9	Very low	200 Å²	200	172 Å²	172	87%	0.87	83%	0.83	S	S	*	*			cis	74.4	88.2	46.8	-162.4	-175.3	-179.4	-177.6	0	113.3
308	A	40.3	Very low	43.1	Very low	106 Å²	106	167.4 Å²	167.4	88%	0.876	82%	0.819	S	S	*	*			trans	-152.3	64.7	168.4	0	0	0	0	0	111.8
309	T	41.2	Very low	44.4	Very low	121 Å²	121	172.9 Å²	172.9	74%	0.742	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74	129.5	167.1	42.3	0	0	0	0	110.4
310	R	42.5	Very low	45.5	Very low	253 Å²	253	173.5 Å²	173.5	96%	0.955	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-92.3	138.8	151.9	-75.8	-168.9	175.3	-163.9	-1.7	108.7
311	I	38.4	Very low	47.4	Very low	155 Å²	155	166.4 Å²	166.4	80%	0.795	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-90.9	144	-176.8	-62.4	165	0	0	0	108.4
312	N	40.7	Very low	49.1	Very low	154 Å²	154	159.7 Å²	159.7	82%	0.824	79%	0.792	S	S	*	*			trans	-141.6	149.5	160	-123.6	0.1	0	0	0	108.1
313	P	42.8	Very low	51.4	Low	115 Å²	115	154.4 Å²	154.4	75%	0.747	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-76.1	157.7	-164.1	29.8	-35.1	0	0	0	113.8
314	R	39.2	Very low	53.2	Low	242 Å²	242	151.2 Å²	151.2	91%	0.913	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-77	130	171.2	-76.7	175.6	165.1	175.8	-8.1	110.4
315	V	48.3	Very low	55.1	Low	140 Å²	140	150.6 Å²	150.6	85%	0.848	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-75.6	138.3	148.9	178.9	0	0	0	0	107.3
316	Q	47.4	Very low	57.1	Low	183 Å²	183	152.4 Å²	152.4	86%	0.855	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-84.1	121.5	170.1	-60.3	-174.6	25.8	0	0	107.8
317	S	53.1	Low	59.4	Low	104 Å²	104	145.8 Å²	145.8	73%	0.727	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-78.9	121.6	167.5	51.9	0	0	0	0	108.4	E319	S317-E319 PolarHBondContact O-N 3.31Å
318	E	65.2	Low	62	Low	150 Å²	150	143.1 Å²	143.1	70%	0.701	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-58.7	128.1	169.1	-67.8	169.4	164	0	0	108.7	I320	E318-I320 PolarHBondContact O-N 3.14Å
319	E	68.3	Low	64.3	Low	189 Å²	189	145.7 Å²	145.7	88%	0.883	74%	0.74	S	S	*	*			trans	-76.7	108.6	-179.6	-67.8	-168.5	129.9	0	0	108.8	S317 D321	S317-E319 PolarHBondContact O-N 3.31Å; E319-D321 PolarHBondContact O-N 3.21Å
320	I	69.3	Low	66.6	Low	154 Å²	154	143.7 Å²	143.7	79%	0.79	73%	0.728	S	S	*	*			trans	-60.5	109.9	179.5	-57.4	172.3	0	0	0	109	E318 C322	E318-I320 PolarHBondContact O-N 3.14Å; I320-C322 PolarHBondContact O-N 2.98Å; I320-C322 VanDerWaalsContact O-N 3.13Å
321	D	74.8	Confident	68.9	Low	91 Å²	91	132.5 Å²	132.5	49%	0.487	69%	0.69	S	S	.	*			trans	-71.4	105.1	177	-171.7	-13.2	0	0	0	110.4	E319 T323	E319-D321 PolarHBondContact O-N 3.21Å; D321-T323 PolarHBondContact O-N 2.86Å; D321-T323 VanDerWaalsContact OD1-CB 3.28Å; D321-T323 WeakPolarHBondContact OD1-CB 3.43Å; D321-T323 WeakPolarHBondContact OD1-CG2 3.5Å; D321-T323 PolarHBondContact OD1-N 3.44Å; D321-T323 PolarHBondContact OD1-OG1 3.35Å; D321-T323 PolarHBondContact OD2-OG1 3.05Å
322	C	76	Confident	71.3	Confident	117 Å²	117	130.1 Å²	130.1	79%	0.791	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	3	179.3	-59.4	0	0	0	0	114.1	I320	I320-C322 PolarHBondContact O-N 2.98Å; I320-C322 VanDerWaalsContact O-N 3.13Å
323	T	83.9	Confident	73.7	Confident	118 Å²	118	125.6 Å²	125.6	72%	0.724	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-17.8	177.7	67.4	0	0	0	0	113.6	D321	D321-T323 PolarHBondContact O-N 2.86Å; D321-T323 VanDerWaalsContact OD1-CB 3.28Å; D321-T323 WeakPolarHBondContact OD1-CB 3.43Å; D321-T323 WeakPolarHBondContact OD1-CG2 3.5Å; D321-T323 PolarHBondContact OD1-N 3.44Å; D321-T323 PolarHBondContact OD1-OG1 3.35Å; D321-T323 PolarHBondContact OD2-OG1 3.05Å
324	I	80.4	Confident	76	Confident	120 Å²	120	126 Å²	126	62%	0.615	66%	0.655	S	S	*	*	S	Bend	trans	-99.6	133.4	179.1	-55.4	178.9	0	0	0	109.1
325	P	83.9	Confident	78.5	Confident	116 Å²	116	119 Å²	119	75%	0.753	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-66.1	138.3	173.5	28.5	-34.5	0	0	0	110.8	D327	P325-D327 PolarHBondContact O-N 3.06Å
326	Y	86.2	Confident	80.5	Confident	162 Å²	162	119.3 Å²	119.3	64%	0.635	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-68.6	122.4	-179.6	-174.7	-101.1	0	0	0	111.2	F328 A331	Y326-F328 AromaticContact CD1-CD1 3.94Å; Y326-F328 HydrophobicContact CD1-CD1 3.94Å; Y326-F328 HydrophobicContact CD1-CD2 4.35Å; Y326-F328 AromaticContact CD1-CE1 3.78Å; Y326-F328 HydrophobicContact CD1-CE1 3.78Å; Y326-F328 HydrophobicContact CD1-CE2 4.2Å; Y326-F328 HydrophobicContact CD1-CG 4.23Å; Y326-F328 AromaticContact CD1-CZ 3.92Å; Y326-F328 HydrophobicContact CD1-CZ 3.92Å; Y326-F328 AromaticContact CE1-CD1 3.77Å; Y326-F328 HydrophobicContact CE1-CD1 3.77Å; Y326-F328 AromaticContact CE1-CE1 3.85Å; Y326-F328 HydrophobicContact CE1-CE1 3.85Å; Y326-F328 HydrophobicContact CE1-CG 4.33Å; Y326-F328 HydrophobicContact CE1-CZ 4.45Å; Y326-A331 HydrophobicContact CE1-CB 4.1Å; Y326-A331 WeakPolarHBondContact OH-CB 3.49Å
327	D	89.3	Confident	82.4	Confident	72 Å²	72	112.9 Å²	112.9	39%	0.385	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-90.2	121.2	174.2	177.1	28.1	0	0	0	111.2	P325 E329 T330 A331	P325-D327 PolarHBondContact O-N 3.06Å; D327-E329 PolarHBondContact OD1-N 3.43Å; D327-T330 WeakPolarHBondContact OD2-CB 3.41Å; D327-T330 PolarHBondContact OD2-N 3.04Å; D327-T330 PolarHBondContact OD2-OG1 3.31Å; D327-A331 WeakPolarHBondContact O-CB 3.45Å; D327-A331 PolarHBondContact O-N 3.22Å
328	F	90.3	Very high	84	Confident	144 Å²	144	110.4 Å²	110.4	63%	0.632	58%	0.582	S	S	*	*	H	α-helix	trans	-80.2	-23.6	177.4	-62.6	-86.5	0	0	0	112.7	Y326 N332	Y326-F328 AromaticContact CD1-CD1 3.94Å; Y326-F328 HydrophobicContact CD1-CD1 3.94Å; Y326-F328 HydrophobicContact CD1-CD2 4.35Å; Y326-F328 AromaticContact CD1-CE1 3.78Å; Y326-F328 HydrophobicContact CD1-CE1 3.78Å; Y326-F328 HydrophobicContact CD1-CE2 4.2Å; Y326-F328 HydrophobicContact CD1-CG 4.23Å; Y326-F328 AromaticContact CD1-CZ 3.92Å; Y326-F328 HydrophobicContact CD1-CZ 3.92Å; Y326-F328 AromaticContact CE1-CD1 3.77Å; Y326-F328 HydrophobicContact CE1-CD1 3.77Å; Y326-F328 AromaticContact CE1-CE1 3.85Å; Y326-F328 HydrophobicContact CE1-CE1 3.85Å; Y326-F328 HydrophobicContact CE1-CG 4.33Å; Y326-F328 HydrophobicContact CE1-CZ 4.45Å; F328-N332 WeakPolarHBondContact O-CB 3.44Å; F328-N332 PolarHBondContact O-N 2.95Å; F328-N332 PolarHBondContact O-ND2 2.8Å
329	E	89.8	Confident	84.9	Confident	160 Å²	160	108.5 Å²	108.5	75%	0.748	58%	0.576	S	S	*	*	H	α-helix	trans	-73.4	-49.7	-178.6	-63.4	-176.7	-178.1	0	0	110.2	D327 A331 N332 A333	D327-E329 PolarHBondContact OD1-N 3.43Å; E329-A331 PolarHBondContact O-N 2.89Å; E329-N332 PolarHBondContact O-N 3.44Å; E329-A333 PolarHBondContact O-N 3Å; E329-A333 VanDerWaalsContact O-N 3.11Å
330	T	89.2	Confident	85.7	Confident	78 Å²	78	102.6 Å²	102.6	48%	0.479	56%	0.559	S	S	.	*	H	α-helix	trans	-57.1	-46.2	170.2	-60.3	0	0	0	0	111.8	D327 N332 A333 E334	D327-T330 WeakPolarHBondContact OD2-CB 3.41Å; D327-T330 PolarHBondContact OD2-N 3.04Å; D327-T330 PolarHBondContact OD2-OG1 3.31Å; T330-N332 VanDerWaalsContact C-N 3.34Å; T330-N332 PolarHBondContact O-N 2.85Å; T330-A333 PolarHBondContact O-N 3.42Å; T330-A333 VanDerWaalsContact O-N 3.16Å; T330-E334 PolarHBondContact O-N 2.97Å
331	A	90	Very high	86.4	Confident	19 Å²	19	101.3 Å²	101.3	16%	0.157	55%	0.548	C	S	.	.	H	α-helix	trans	-63.9	-34.7	-179.2	0	0	0	0	0	113.7	Y326 D327 E329 L335	Y326-A331 HydrophobicContact CE1-CB 4.1Å; Y326-A331 WeakPolarHBondContact OH-CB 3.49Å; D327-A331 WeakPolarHBondContact O-CB 3.45Å; D327-A331 PolarHBondContact O-N 3.22Å; E329-A331 PolarHBondContact O-N 2.89Å; A331-L335 PolarHBondContact O-N 3.45Å; A331-L335 VanDerWaalsContact O-N 3.16Å
332	N	89.9	Confident	86.5	Confident	105 Å²	105	104.5 Å²	104.5	56%	0.561	56%	0.562	S	S	*	*	H	α-helix	trans	-69.1	-39.5	174	-74.6	-29.8	0	0	0	111.6	F328 E329 T330 L335 E336	F328-N332 WeakPolarHBondContact O-CB 3.44Å; F328-N332 PolarHBondContact O-N 2.95Å; F328-N332 PolarHBondContact O-ND2 2.8Å; E329-N332 PolarHBondContact O-N 3.44Å; T330-N332 VanDerWaalsContact C-N 3.34Å; T330-N332 PolarHBondContact O-N 2.85Å; N332-L335 PolarHBondContact O-N 3.39Å; N332-E336 PolarHBondContact O-N 2.82Å
333	A	90.8	Very high	86.2	Confident	58 Å²	58	103 Å²	103	48%	0.479	55%	0.553	S	S	.	*	H	α-helix	trans	-66.1	-37.9	176.3	0	0	0	0	0	112.5	E329 T330 E336 A337	E329-A333 PolarHBondContact O-N 3Å; E329-A333 VanDerWaalsContact O-N 3.11Å; T330-A333 PolarHBondContact O-N 3.42Å; T330-A333 VanDerWaalsContact O-N 3.16Å; A333-E336 PolarHBondContact O-N 3.37Å; A333-A337 WeakPolarHBondContact O-CB 3.37Å; A333-A337 PolarHBondContact O-N 2.99Å
334	E	90.5	Very high	84.9	Confident	125 Å²	125	104.1 Å²	104.1	58%	0.584	55%	0.554	S	S	*	*	H	α-helix	trans	-61.7	-42.1	171.6	-72.8	-174.1	162	0	0	112	T330 A337 E338	T330-E334 PolarHBondContact O-N 2.97Å; E334-A337 PolarHBondContact O-N 3.46Å; E334-E338 PolarHBondContact O-N 2.99Å
335	L	92	Very high	83.4	Confident	95 Å²	95	104.2 Å²	104.2	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-64.8	-43	177.3	179.1	62.7	0	0	0	112.1	A331 N332 A337 E338 L339	A331-L335 PolarHBondContact O-N 3.45Å; A331-L335 VanDerWaalsContact O-N 3.16Å; N332-L335 PolarHBondContact O-N 3.39Å; L335-A337 VanDerWaalsContact C-N 3.29Å; L335-A337 PolarHBondContact O-N 2.8Å; L335-E338 PolarHBondContact O-N 2.77Å; L335-L339 WeakPolarHBondContact O-CG 3.42Å; L335-L339 PolarHBondContact O-N 3.38Å
336	E	89.1	Confident	81.3	Confident	146 Å²	146	105.7 Å²	105.7	68%	0.682	56%	0.562	S	S	*	*	H	α-helix	trans	-62.8	-37.6	175.2	-169.9	166.3	-162.1	0	0	111.4	N332 A333 L339 A340	N332-E336 PolarHBondContact O-N 2.82Å; A333-E336 PolarHBondContact O-N 3.37Å; E336-L339 PolarHBondContact O-N 2.97Å; E336-A340 PolarHBondContact O-N 3.42Å
337	A	88.5	Confident	79.4	Confident	47 Å²	47	104.2 Å²	104.2	39%	0.388	57%	0.566	S	S	.	*	H	α-helix	trans	-70.4	-33.9	174.1	0	0	0	0	0	114.1	A333 E334 L335 K341	A333-A337 WeakPolarHBondContact O-CB 3.37Å; A333-A337 PolarHBondContact O-N 2.99Å; E334-A337 PolarHBondContact O-N 3.46Å; L335-A337 VanDerWaalsContact C-N 3.29Å; L335-A337 PolarHBondContact O-N 2.8Å; A337-K341 WeakPolarHBondContact O-CG 3.37Å; A337-K341 PolarHBondContact O-N 2.95Å
338	E	86.6	Confident	77.3	Confident	53 Å²	53	109 Å²	109	25%	0.248	59%	0.585	C	S	.	*	H	α-helix	trans	-67.9	-40.1	170.3	-76.6	-159.2	160.4	0	0	111.3	H207 P208 G209 E334 L335 A340 K341 M342	H207-E338 IonicContact CE1-OE2 3.57Å; H207-E338 IonicContact ND1-OE1 3.92Å; H207-E338 IonicContact ND1-OE2 3.04Å; H207-E338 PolarHBondContact ND1-OE2 2.68Å; P208-E338 WeakPolarHBondContact CA-OE1 3.48Å; G209-E338 PolarHBondContact N-OE1 2.78Å; E334-E338 PolarHBondContact O-N 2.99Å; L335-E338 PolarHBondContact O-N 2.77Å; E338-A340 PolarHBondContact O-N 3.12Å; E338-K341 PolarHBondContact O-N 2.9Å; E338-M342 PolarHBondContact O-N 3.33Å
339	L	84.3	Confident	75	Confident	110 Å²	110	109 Å²	109	58%	0.576	59%	0.592	S	S	*	*	H	α-helix	trans	-61.1	-43.4	174.9	-70.8	171.2	0	0	0	111.9	L335 E336 K341 M342 S343	L335-L339 WeakPolarHBondContact O-CG 3.42Å; L335-L339 PolarHBondContact O-N 3.38Å; E336-L339 PolarHBondContact O-N 2.97Å; L339-K341 VanDerWaalsContact C-N 3.26Å; L339-K341 PolarHBondContact O-N 3.18Å; L339-M342 PolarHBondContact O-N 2.79Å; L339-S343 PolarHBondContact O-N 2.76Å
340	A	84.5	Confident	72.6	Confident	65 Å²	65	106.4 Å²	106.4	54%	0.537	59%	0.592	S	S	.	*	H	α-helix	trans	-63	-27.4	176.3	0	0	0	0	0	113.8	E336 E338 S343	E336-A340 PolarHBondContact O-N 3.42Å; E338-A340 PolarHBondContact O-N 3.12Å; A340-S343 WeakPolarHBondContact CA-OG 3.49Å; A340-S343 PolarHBondContact O-OG 3.29Å
341	K	83.9	Confident	70.3	Confident	127 Å²	127	110 Å²	110	55%	0.552	61%	0.613	S	S	*	*	H	α-helix	trans	-75.9	-23.4	172.6	-69.3	167.1	-172.9	167.8	0	112.9	G209 A337 E338 L339	G209-K341 PolarHBondContact O-NZ 2.89Å; A337-K341 WeakPolarHBondContact O-CG 3.37Å; A337-K341 PolarHBondContact O-N 2.95Å; E338-K341 PolarHBondContact O-N 2.9Å; L339-K341 VanDerWaalsContact C-N 3.26Å; L339-K341 PolarHBondContact O-N 3.18Å
342	M	77.1	Confident	67.9	Low	158 Å²	158	113.8 Å²	113.8	78%	0.778	64%	0.638	S	S	*	*	H	α-helix	trans	-86.9	-19.1	178.7	-66.5	-165.2	73.2	0	0	113.4	E338 L339 L344	E338-M342 PolarHBondContact O-N 3.33Å; L339-M342 PolarHBondContact O-N 2.79Å; M342-L344 PolarHBondContact O-N 3.19Å
343	S	69.9	Low	65.7	Low	86 Å²	86	118.8 Å²	118.8	60%	0.601	65%	0.649	S	S	*	*			trans	-74.8	61.3	170.3	45.4	0	0	0	0	112.5	L339 A340 N345	L339-S343 PolarHBondContact O-N 2.76Å; A340-S343 WeakPolarHBondContact CA-OG 3.49Å; A340-S343 PolarHBondContact O-OG 3.29Å; S343-N345 PolarHBondContact O-N 3.48Å
344	L	56.8	Low	63.4	Low	141 Å²	141	122.6 Å²	122.6	74%	0.738	66%	0.657	S	S	*	*			trans	-81.8	96.6	169.8	-86.7	168.5	0	0	0	110.9	M342	M342-L344 PolarHBondContact O-N 3.19Å
345	N	48.7	Very low	61.1	Low	122 Å²	122	124.7 Å²	124.7	65%	0.652	67%	0.672	S	S	*	*			trans	51	86.3	147.4	-51.3	8.5	0	0	0	116	S343 D347	S343-N345 PolarHBondContact O-N 3.48Å; N345-D347 PolarHBondContact O-N 2.89Å
346	T	40.7	Very low	58.7	Low	146 Å²	146	124.7 Å²	124.7	90%	0.896	68%	0.681	S	S	*	*			trans	-92.8	52.9	152	52.3	0	0	0	0	109.4
347	D	44.9	Very low	56.5	Low	132 Å²	132	126.6 Å²	126.6	71%	0.706	69%	0.69	S	S	*	*			trans	-130.6	139.5	-173.9	-64.2	-80.4	0	0	0	111.2	N345	N345-D347 PolarHBondContact O-N 2.89Å
348	E	45.4	Very low	54.3	Low	171 Å²	171	130.5 Å²	130.5	80%	0.799	71%	0.708	S	S	*	*			trans	-29.7	168.4	174.9	-55	-60.6	156.8	0	0	120.9
349	D	43	Very low	52.1	Low	146 Å²	146	134.7 Å²	134.7	78%	0.781	73%	0.728	S	S	*	*			trans	74.3	115.2	156.6	-78.1	-36.3	0	0	0	122.9
350	S	38.3	Very low	50	Low	105 Å²	105	138.8 Å²	138.8	73%	0.734	74%	0.735	S	S	*	*			trans	76	109.2	134.9	75.3	0	0	0	0	121.1
351	V	42.1	Very low	47.9	Very low	154 Å²	154	141.9 Å²	141.9	93%	0.933	75%	0.748	S	S	*	*			trans	-131	123.6	137.4	179.7	0	0	0	0	108
352	S	39.1	Very low	45.8	Very low	97 Å²	97	143.6 Å²	143.6	68%	0.678	76%	0.762	S	S	*	*			trans	-123.3	167.8	178.5	65.1	0	0	0	0	111.1
353	R	43.5	Very low	43.9	Very low	210 Å²	210	138.8 Å²	138.8	79%	0.792	75%	0.752	S	S	*	*			trans	86.4	149.6	166.3	-61.4	177.7	91.8	113.8	-0.4	119.8
354	E	42.1	Very low	42.6	Very low	139 Å²	139	141.9 Å²	141.9	65%	0.65	76%	0.762	S	S	*	*			trans	67.4	91	151.2	-75	146.7	-138.5	0	0	119
355	N	42.9	Very low	41.8	Very low	168 Å²	168	143.7 Å²	143.7	90%	0.898	76%	0.759	S	S	*	*				-159.6	151.5	88.8	-86.9	-61.4	0	0	0	110.8
356	S	42.4	Very low	41.4	Very low	96 Å²	96	140.3 Å²	140.3	67%	0.671	74%	0.744	S	S	*	*			trans	-137	147.9	-167.4	53.6	0	0	0	0	114.3
357	E	42	Very low	41.4	Very low	186 Å²	186	137.8 Å²	137.8	87%	0.869	72%	0.724	S	S	*	*			trans	65.8	152.9	167.9	-62.2	167.9	122.6	0	0	114.7
358	V	42.9	Very low	41.3	Very low	128 Å²	128	134.6 Å²	134.6	78%	0.776	71%	0.71	S	S	*	*			cis	-131.7	137	21.7	174.9	0	0	0	0	111.5
359	E	39.1	Very low	40.8	Very low	142 Å²	142	129.8 Å²	129.8	66%	0.664	70%	0.696	S	S	*	*			trans	14.8	144.4	134	-111.8	-166.7	173	0	0	120
360	R	41.1	Very low	40.7	Very low	195 Å²	195	130.1 Å²	130.1	74%	0.736	69%	0.694	S	S	*	*			cis	-155.4	146.5	37	-66.3	-167.7	162.2	173.3	-5.3	114.9
361	T	39.6	Very low	40.6	Very low	130 Å²	130	128.9 Å²	128.9	80%	0.798	69%	0.69	S	S	*	*			trans	50.8	146.3	143.2	63.4	0	0	0	0	121
362	I	39.6	Very low	40.6	Very low	164 Å²	164	127.2 Å²	127.2	84%	0.841	68%	0.681	S	S	*	*			cis	-140	137.1	19.3	-60.6	167.3	0	0	0	111.3
363	G	39	Very low	40.8	Very low	57 Å²	57	129.1 Å²	129.1	59%	0.588	68%	0.683	S	S	*	*			trans	67.2	109.9	150.6	0	0	0	0	0	119.5
364	D	41.3	Very low	40.7	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	69%	0.685	S	S	*	*			cis	78.8	142.6	49.9	-70.1	-60	0	0	0	115.7
365	R	40.5	Very low	40.7	Very low	178 Å²	178	124 Å²	124	67%	0.672	69%	0.688	S	S	*	*			cis	177.1	-158.9	-22.7	-134	-177.2	149.8	-135.7	-0.1	106.3
366	P	40.9	Very low	40.5	Very low	51 Å²	51	121.4 Å²	121.4	33%	0.331	68%	0.683	S	S	.	*			cis	-118.4	172.5	-48	39.1	-25.2	0	0	0	112.6	K127 Q128 Q129	K127-P366 CarbonylContact C-O 3.51Å; K127-P366 CarbonylContact O-C 3.51Å; K127-P366 VanDerWaalsContact O-C 3.31Å; K127-P366 VanDerWaalsContact O-O 3.07Å; Q128-P366 CarbonylContact C-O 3.6Å; Q128-P366 PolarHBondContact N-O 2.73Å; Q128-P366 CarbonylContact O-C 3.57Å; Q128-P366 VanDerWaalsContact O-O 3.13Å; Q129-P366 HydrophobicContact CG-CG 4.47Å
367	I	40.2	Very low	40.2	Very low	94 Å²	94	128.5 Å²	128.5	48%	0.482	70%	0.695	S	S	.	*			cis	165.2	-104.6	27.3	-55.9	163.8	0	0	0	113.1	K127 Q128	K127-I367 HydrophobicContact CB-CG1 4.38Å; Q128-I367 CarbonylContact O-C 3.59Å; Q128-I367 PolarHBondContact O-N 2.84Å
368	P	42.4	Very low	39.9	Very low	64 Å²	64	127.6 Å²	127.6	42%	0.416	70%	0.695	S	S	.	*			trans	-114.5	-173.2	-152	12.6	13.6	0	0	0	115.5	K130	K130-P368 HydrophobicContact CD-CB 4.29Å; K130-P368 HydrophobicContact CD-CG 4.41Å; K130-P368 WeakPolarHBondContact CG-O 3.41Å
369	S	36	Very low	39.8	Very low	70 Å²	70	126.5 Å²	126.5	49%	0.49	69%	0.691	S	S	.	*			cis	-179.5	-175.1	-31.7	64.8	0	0	0	0	110.9	K130	K130-S369 WeakPolarHBondContact CE-O 3.49Å; K130-S369 PolarHBondContact NZ-OG 2.78Å
370	M	39.5	Very low	39.5	Very low	154 Å²	154	127.3 Å²	127.3	76%	0.759	70%	0.698	S	S	*	*			trans	85.7	153.3	169.1	-44.7	-74.9	67.2	0	0	118.3	K130	K130-M370 VanDerWaalsContact NZ-CG 3.28Å
371	A	37.2	Very low	39.5	Very low	78 Å²	78	125.1 Å²	125.1	65%	0.645	70%	0.701	S	S	*	*			cis	178.8	166.8	-21	0	0	0	0	0	108.3
372	T	41	Very low	39.3	Very low	120 Å²	120	123 Å²	123	74%	0.736	69%	0.691	S	S	*	*			cis	-166.5	-176.9	-29	37.1	0	0	0	0	108.3
373	N	44.3	Very low	39.4	Very low	136 Å²	136	121.4 Å²	121.4	73%	0.727	69%	0.685	S	S	*	*			trans	119.8	89.4	151.2	-59.6	1.2	0	0	0	118.5
374	N	41	Very low	39.4	Very low	157 Å²	157	125 Å²	125	84%	0.84	69%	0.691	S	S	*	*				19.2	153	123.1	-37.4	-16.8	0	0	0	119.2
375	A	41.1	Very low	39.5	Very low	84 Å²	84	124.7 Å²	124.7	69%	0.694	69%	0.688	S	S	*	*			cis	-168.5	167.4	26.2	0	0	0	0	0	114.5
376	S	39.4	Very low	39.5	Very low	115 Å²	115	121.1 Å²	121.1	80%	0.804	69%	0.69	S	S	*	*			trans	68.1	159.5	150.2	77.9	0	0	0	0	120.2
377	R	35.5	Very low	39.7	Very low	245 Å²	245	128.2 Å²	128.2	93%	0.925	71%	0.71	S	S	*	*			cis	-158	161	-45	-114.9	178.7	-174.2	-157.7	1.1	108.4
378	L	36.4	Very low	39.6	Very low	167 Å²	167	130.4 Å²	130.4	87%	0.874	72%	0.719	S	S	*	*			trans	-82.3	-174.8	169.8	-62.8	170.8	0	0	0	109.9
379	P	40.7	Very low	39.7	Very low	105 Å²	105	132.2 Å²	132.2	68%	0.682	73%	0.733	S	S	*	*			cis	-146.1	-180	8.1	42.2	-20.5	0	0	0	118.8
380	I	33.6	Very low	40.1	Very low	158 Å²	158	133.9 Å²	133.9	81%	0.81	75%	0.745	S	S	*	*			trans	40.9	127.9	140.6	-63	159.9	0	0	0	121
381	N	39.9	Very low	40.3	Very low	149 Å²	149	132.7 Å²	132.7	80%	0.797	75%	0.751	S	S	*	*				-148	158.7	129.7	-157.5	2.1	0	0	0	111.1
382	S	36	Very low	40.4	Very low	85 Å²	85	133 Å²	133	59%	0.594	76%	0.761	S	S	*	*			trans	-125.2	160.4	-179.1	56.6	0	0	0	0	111.6
383	N	42.2	Very low	40.3	Very low	132 Å²	132	131.7 Å²	131.7	71%	0.706	76%	0.763	S	S	*	*			trans	168.9	130.6	142.9	-89.9	-32.1	0	0	0	114.1
384	N	38.4	Very low	40.1	Very low	133 Å²	133	131.7 Å²	131.7	71%	0.711	77%	0.768	S	S	*	*				43.5	150.8	121.4	-58.6	-11.7	0	0	0	122.4
385	L	42.9	Very low	39.8	Very low	144 Å²	144	126.7 Å²	126.7	75%	0.754	75%	0.745	S	S	*	*			cis	-179.3	152.4	-27.5	-118.6	170.1	0	0	0	109.6
386	S	40.5	Very low	39.8	Very low	103 Å²	103	125.3 Å²	125.3	72%	0.72	73%	0.73	S	S	*	*			trans	64.5	173.3	160.1	69.9	0	0	0	0	117.3
387	R	44.6	Very low	39.9	Very low	199 Å²	199	123.7 Å²	123.7	75%	0.751	72%	0.716	S	S	*	*			cis	-164.5	129.6	28	-172.7	158.1	-175.4	-138.3	-13.8	116.8
388	E	40.1	Very low	40.3	Very low	141 Å²	141	117.7 Å²	117.7	66%	0.659	71%	0.707	S	S	*	*			trans	46	135.7	138.9	-64.6	161.8	-161.3	0	0	127.5
389	S	42.9	Very low	40.7	Very low	102 Å²	102	113.2 Å²	113.2	71%	0.713	69%	0.694	S	S	*	*				96.6	110.1	123.4	-76.7	0	0	0	0	126.9
390	S	45.6	Very low	40.9	Very low	105 Å²	105	115.5 Å²	115.5	73%	0.734	70%	0.7	S	S	*	*				83.7	128.6	113.4	74.7	0	0	0	0	127.1
391	S	42.1	Very low	41.3	Very low	129 Å²	129	113.7 Å²	113.7	90%	0.902	70%	0.697	S	S	*	*			trans	85.8	149.6	138.9	78.1	0	0	0	0	122.7
392	G	39.5	Very low	41.5	Very low	83 Å²	83	112 Å²	112	86%	0.856	69%	0.692	S	S	*	*			trans	139	135.4	168.7	0	0	0	0	0	116.7
393	A	39.2	Very low	41.9	Very low	93 Å²	93	115 Å²	115	77%	0.769	70%	0.701	S	S	*	*			trans	-121.5	178.8	167.9	0	0	0	0	0	109.1
394	V	40.4	Very low	41.9	Very low	136 Å²	136	114.2 Å²	114.2	82%	0.824	70%	0.701	S	S	*	*			cis	-159.9	174.5	38.1	-124.1	0	0	0	0	111.7
395	S	35.5	Very low	41.9	Very low	53 Å²	53	115 Å²	115	37%	0.371	70%	0.704	S	S	.	*			trans	-115.7	171.8	-159.3	31.5	0	0	0	0	119	K421	S395-K421 WeakPolarHBondContact O-CE 3.46Å; S395-K421 PolarHBondContact O-NZ 3.43Å; S395-K421 WeakPolarHBondContact OG-CB 3.11Å
396	S	40.3	Very low	41.7	Very low	54 Å²	54	114.6 Å²	114.6	38%	0.378	70%	0.701	S	S	.	*			trans	91.5	161.6	149.7	80.3	0	0	0	0	122.4	S420 K421	S396-S420 WeakPolarHBondContact CB-O 3.5Å; S396-K421 VanDerWaalsContact CB-O 3.32Å; S396-K421 WeakPolarHBondContact CB-O 3.3Å; S396-K421 WeakPolarHBondContact OG-CD 3.47Å; S396-K421 PolarHBondContact OG-O 3.43Å; S396-K421 VanDerWaalsContact OG-O 3.12Å
397	T	41.7	Very low	41.5	Very low	81 Å²	81	114.5 Å²	114.5	50%	0.497	70%	0.701	S	S	.	*			cis	-162.2	154.2	20.6	-25.2	0	0	0	0	116.3	K421	T397-K421 WeakPolarHBondContact CG2-O 3.34Å
398	T	44	Very low	41.1	Very low	120 Å²	120	113.4 Å²	113.4	74%	0.736	70%	0.704	S	S	*	*			trans	76.9	133	145.3	22.1	0	0	0	0	127.2
399	A	44.4	Very low	40.9	Very low	73 Å²	73	115 Å²	115	60%	0.603	72%	0.717	S	S	*	*				100.8	103.9	123	0	0	0	0	0	125.2
400	N	44.4	Very low	40.7	Very low	153 Å²	153	119.5 Å²	119.5	82%	0.818	72%	0.724	S	S	*	*				89.3	149.1	118.8	-65	-9.4	0	0	0	125.8
401	T	43.4	Very low	40.1	Very low	120 Å²	120	125.8 Å²	125.8	74%	0.736	73%	0.731	S	S	*	*			trans	85.8	96.4	147.2	26.7	0	0	0	0	123.9
402	T	42.8	Very low	40.1	Very low	113 Å²	113	125.7 Å²	125.7	69%	0.693	73%	0.728	S	S	*	*				72.3	146.8	128.6	51	0	0	0	0	123.7
403	N	44.5	Very low	39.8	Very low	147 Å²	147	126.6 Å²	126.6	79%	0.786	72%	0.721	S	S	*	*			trans	76.1	147.2	159.2	-59.9	-19	0	0	0	117
404	V	42.1	Very low	40.1	Very low	116 Å²	116	130.7 Å²	130.7	70%	0.703	72%	0.724	S	S	*	*			cis	-163.7	153.3	-14.1	113.9	0	0	0	0	110.4
405	L	38.5	Very low	40.2	Very low	149 Å²	149	128.2 Å²	128.2	78%	0.78	71%	0.713	S	S	*	*			trans	64.4	145.2	163.1	-78.2	165.8	0	0	0	122.8
406	I	39.3	Very low	40.6	Very low	136 Å²	136	135.8 Å²	135.8	70%	0.697	74%	0.739	S	S	*	*			trans	70.1	101.9	143.8	-67.3	164.1	0	0	0	120.7
407	S	36.9	Very low	41.1	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	76%	0.755	S	S	*	*			trans	55	148.3	138.8	73.2	0	0	0	0	124
408	E	35	Very low	41.7	Very low	176 Å²	176	142.3 Å²	142.3	82%	0.822	77%	0.767	S	S	*	*			trans	73.3	117.4	165.3	-53.4	-158.9	152.8	0	0	117.8	K410	E408-K410 PolarHBondContact O-N 3.44Å
409	N	36.1	Very low	42.2	Very low	174 Å²	174	142.2 Å²	142.2	93%	0.93	76%	0.761	S	S	*	*			trans	-74.7	83.5	-173.7	-71.2	-29.3	0	0	0	112.8
410	K	40.3	Very low	42.7	Very low	198 Å²	198	140.7 Å²	140.7	86%	0.861	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-64.9	136.9	161.6	-73.2	-179.6	179.1	172.9	0	110.4	E408	E408-K410 PolarHBondContact O-N 3.44Å
411	R	32	Very low	43.3	Very low	236 Å²	236	139.1 Å²	139.1	89%	0.891	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-76.6	129.6	172	-62	177.7	-176.1	144.3	2.6	110.1
412	P	43.1	Very low	44.4	Very low	127 Å²	127	135.3 Å²	135.3	83%	0.825	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-87.1	132.4	158.3	33.1	-28.9	0	0	0	109.8
413	S	33	Very low	45.9	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	71%	0.71	S	S	*	*			trans	-131.2	95.7	173.1	56	0	0	0	0	108.9
414	E	43.8	Very low	47.4	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	71%	0.712	S	S	*	*			trans	-151.2	164.4	-179	-128.7	107.9	-120.8	0	0	114
415	S	44.2	Very low	49.3	Very low	84 Å²	84	139.6 Å²	139.6	59%	0.587	70%	0.704	S	S	*	*			trans	16.9	130.3	161.7	45.6	0	0	0	0	121.1	E417	S415-E417 PolarHBondContact O-N 3.36Å
416	K	43.1	Very low	51.3	Low	211 Å²	211	135.9 Å²	135.9	92%	0.917	69%	0.687	S	S	*	*			trans	-74	74.8	151.2	-67.7	179.5	-178.5	174.8	0	109.8	T418	K416-T418 PolarHBondContact O-N 2.92Å; K416-T418 VanDerWaalsContact O-N 3.14Å
417	E	51.4	Low	53.1	Low	152 Å²	152	136 Å²	136	71%	0.71	68%	0.679	S	S	*	*			trans	-67.3	110.9	164.2	-76.3	-164.9	104.2	0	0	109.5	S415 L419	S415-E417 PolarHBondContact O-N 3.36Å; E417-L419 PolarHBondContact O-N 2.78Å
418	T	54.6	Low	55	Low	121 Å²	121	138.1 Å²	138.1	74%	0.742	68%	0.677	S	S	*	*			trans	-66.1	120.6	162.9	41.6	0	0	0	0	107.7	K416 S420	K416-T418 PolarHBondContact O-N 2.92Å; K416-T418 VanDerWaalsContact O-N 3.14Å; T418-S420 PolarHBondContact O-N 2.91Å
419	L	54.1	Low	57.1	Low	118 Å²	118	137 Å²	137	62%	0.618	67%	0.67	S	S	*	*			trans	-40.3	115.3	-175.7	-68.1	174.7	0	0	0	111.2	E417 K421 E423	E417-L419 PolarHBondContact O-N 2.78Å; L419-K421 VanDerWaalsContact C-N 3.27Å; L419-K421 PolarHBondContact O-N 2.81Å; L419-E423 HydrophobicContact CD2-CB 4.45Å; L419-E423 WeakPolarHBondContact CD2-OE2 3.28Å
420	S	54.8	Low	59.2	Low	41 Å²	41	130.1 Å²	130.1	29%	0.287	64%	0.635	S	S	.	*			trans	-75.4	77.9	-168.9	23.5	0	0	0	0	110.3	S396 T418 G422	S396-S420 WeakPolarHBondContact CB-O 3.5Å; T418-S420 PolarHBondContact O-N 2.91Å; S420-G422 PolarHBondContact O-N 3.29Å
421	K	57	Low	61	Low	120 Å²	120	127 Å²	127	52%	0.522	62%	0.621	S	S	.	*	S	Bend	trans	15.9	72.1	169	-179.6	-132	-63.1	153.5	0	113.6	S395 S396 T397 L419	S395-K421 WeakPolarHBondContact O-CE 3.46Å; S395-K421 PolarHBondContact O-NZ 3.43Å; S395-K421 WeakPolarHBondContact OG-CB 3.11Å; S396-K421 VanDerWaalsContact CB-O 3.32Å; S396-K421 WeakPolarHBondContact CB-O 3.3Å; S396-K421 WeakPolarHBondContact OG-CD 3.47Å; S396-K421 PolarHBondContact OG-O 3.43Å; S396-K421 VanDerWaalsContact OG-O 3.12Å; T397-K421 WeakPolarHBondContact CG2-O 3.34Å; L419-K421 VanDerWaalsContact C-N 3.27Å; L419-K421 PolarHBondContact O-N 2.81Å
422	G	67	Low	63.2	Low	40 Å²	40	123.7 Å²	123.7	41%	0.412	61%	0.61	S	S	.	*	S	Bend	trans	168.2	-29.6	-176.4	0	0	0	0	0	112.6	S420 Y424	S420-G422 PolarHBondContact O-N 3.29Å; G422-Y424 PolarHBondContact O-N 3.02Å
423	E	72.7	Confident	64.9	Low	119 Å²	119	119 Å²	119	56%	0.556	58%	0.578	S	S	*	*			trans	-73.7	118.5	169.1	-66	-146.1	130.2	0	0	111.7	L419	L419-E423 HydrophobicContact CD2-CB 4.45Å; L419-E423 WeakPolarHBondContact CD2-OE2 3.28Å
424	Y	75.7	Confident	66.9	Low	212 Å²	212	119 Å²	119	83%	0.831	57%	0.567	S	S	*	*			trans	-74.8	154.1	173.4	-66.5	-89.3	0	0	0	111.7	G422 V426	G422-Y424 PolarHBondContact O-N 3.02Å; Y424-V426 PolarHBondContact O-N 3.4Å
425	Y	83.1	Confident	68.3	Low	135 Å²	135	114.1 Å²	114.1	53%	0.529	55%	0.546	S	S	.	.			trans	-59.6	107.7	175.4	160.5	-96.8	0	0	0	111.7	R427 C430 D433	Y425-R427 HydrophobicContact CE1-CB 4.12Å; Y425-R427 HydrophobicContact CE1-CG 4.45Å; Y425-C430 HydrophobicContact CD2-CB 4.2Å; Y425-C430 HydrophobicContact CE2-CB 3.77Å; Y425-D433 VanDerWaalsContact CE2-OD2 3.32Å; Y425-D433 WeakPolarHBondContact CE2-OD2 3.44Å; Y425-D433 PolarHBondContact OH-OD1 3.12Å; Y425-D433 PolarHBondContact OH-OD2 3.18Å
426	V	79.4	Confident	70	Confident	70 Å²	70	114.5 Å²	114.5	42%	0.424	55%	0.548	S	S	.	.			trans	-95.8	107.1	171.7	-179	0	0	0	0	109	Y424 E428 K429 C430	Y424-V426 PolarHBondContact O-N 3.4Å; V426-E428 HydrophobicContact CG1-CB 4.41Å; V426-E428 PolarHBondContact O-N 3.11Å; V426-K429 HydrophobicContact CB-CB 4.13Å; V426-K429 HydrophobicContact CB-CD 4.17Å; V426-K429 HydrophobicContact CB-CG 4.08Å; V426-K429 HydrophobicContact CG1-CB 4.28Å; V426-K429 HydrophobicContact CG1-CD 4.3Å; V426-K429 HydrophobicContact CG1-CG 3.89Å; V426-K429 HydrophobicContact CG2-CD 4.47Å; V426-K429 PolarHBondContact O-N 2.85Å; V426-C430 PolarHBondContact O-N 2.88Å
427	R	78.5	Confident	71	Confident	139 Å²	139	110 Å²	110	53%	0.525	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-14.2	-178.5	-163.7	-168.6	-71.2	-86	8.3	114.9	Y425 D433 R437	Y425-R427 HydrophobicContact CE1-CB 4.12Å; Y425-R427 HydrophobicContact CE1-CG 4.45Å; R427-D433 HydrophobicContact CG-CB 3.97Å; R427-D433 VanDerWaalsContact CG-OD1 3.25Å; R427-D433 WeakPolarHBondContact CG-OD1 3.3Å; R427-D433 IonicContact NH1-OD1 3.41Å; R427-D433 PolarHBondContact NH1-OD1 2.84Å; R427-D433 VanDerWaalsContact O-CB 3.25Å; R427-D433 WeakPolarHBondContact O-CB 3.48Å; R427-R437 PolarHBondContact O-NH1 3.34Å
428	E	76.9	Confident	71.4	Confident	145 Å²	145	107.2 Å²	107.2	68%	0.678	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-23.7	178.5	-62.6	-178.4	164.8	0	0	112.7	V426 Q434	V426-E428 HydrophobicContact CG1-CB 4.41Å; V426-E428 PolarHBondContact O-N 3.11Å; E428-Q434 PolarHBondContact O-NE2 2.82Å
429	K	79	Confident	71.5	Confident	153 Å²	153	108.8 Å²	108.8	67%	0.665	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-24.1	169.6	-61.7	-175.9	179	-174.3	0	112.5	V426 F431	V426-K429 HydrophobicContact CB-CB 4.13Å; V426-K429 HydrophobicContact CB-CD 4.17Å; V426-K429 HydrophobicContact CB-CG 4.08Å; V426-K429 HydrophobicContact CG1-CB 4.28Å; V426-K429 HydrophobicContact CG1-CD 4.3Å; V426-K429 HydrophobicContact CG1-CG 3.89Å; V426-K429 HydrophobicContact CG2-CD 4.47Å; V426-K429 PolarHBondContact O-N 2.85Å; K429-F431 PolarHBondContact O-N 3.36Å
430	C	79.2	Confident	71.2	Confident	29 Å²	29	105.7 Å²	105.7	20%	0.196	52%	0.523	C	S	.	.			trans	-64.7	113.6	-179.7	179.5	0	0	0	0	111.7	Y425 V426 Y432 D433 Q434	Y425-C430 HydrophobicContact CD2-CB 4.2Å; Y425-C430 HydrophobicContact CE2-CB 3.77Å; V426-C430 PolarHBondContact O-N 2.88Å; C430-Y432 VanDerWaalsContact C-N 3.27Å; C430-Y432 PolarHBondContact O-N 3.33Å; C430-D433 HydrophobicContact CB-CB 4.15Å; C430-D433 PolarHBondContact O-N 2.85Å; C430-D433 PolarHBondContact SG-OD2 3.06Å; C430-Q434 PolarHBondContact O-N 3.38Å
431	F	78.5	Confident	70.9	Confident	132 Å²	132	114 Å²	114	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-50.5	-43.5	177.3	175.1	-106.1	0	0	0	113.2	K429 D433 Q434 I435	K429-F431 PolarHBondContact O-N 3.36Å; F431-D433 VanDerWaalsContact C-N 3.33Å; F431-D433 PolarHBondContact O-N 2.96Å; F431-Q434 PolarHBondContact O-N 2.87Å; F431-I435 HydrophobicContact CD1-CD1 4.3Å; F431-I435 HydrophobicContact CD2-CG2 4.35Å; F431-I435 HydrophobicContact CE1-CD1 3.83Å; F431-I435 HydrophobicContact CE1-CG2 4.48Å; F431-I435 HydrophobicContact CE2-CG2 3.9Å; F431-I435 HydrophobicContact CZ-CD1 4.21Å; F431-I435 HydrophobicContact CZ-CG2 3.98Å; F431-I435 PolarHBondContact O-N 3.23Å
432	Y	77.3	Confident	70.5	Confident	167 Å²	167	113.1 Å²	113.1	66%	0.655	56%	0.555	S	S	*	*	H	α-helix	trans	-62.9	-36.8	179.4	-65.7	-76.2	0	0	0	112.8	C430 I435 S436	C430-Y432 VanDerWaalsContact C-N 3.27Å; C430-Y432 PolarHBondContact O-N 3.33Å; Y432-I435 WeakPolarHBondContact O-CG1 3.4Å; Y432-S436 WeakPolarHBondContact O-CB 3.45Å; Y432-S436 PolarHBondContact O-N 2.75Å; Y432-S436 PolarHBondContact O-OG 2.83Å
433	D	79.9	Confident	69.4	Low	28 Å²	28	122 Å²	122	15%	0.15	58%	0.576	C	S	.	*	H	α-helix	trans	-80.2	-20	176.7	-73.6	-94.7	0	0	0	113.3	Y425 R427 C430 F431 R437	Y425-D433 VanDerWaalsContact CE2-OD2 3.32Å; Y425-D433 WeakPolarHBondContact CE2-OD2 3.44Å; Y425-D433 PolarHBondContact OH-OD1 3.12Å; Y425-D433 PolarHBondContact OH-OD2 3.18Å; R427-D433 HydrophobicContact CG-CB 3.97Å; R427-D433 VanDerWaalsContact CG-OD1 3.25Å; R427-D433 WeakPolarHBondContact CG-OD1 3.3Å; R427-D433 IonicContact NH1-OD1 3.41Å; R427-D433 PolarHBondContact NH1-OD1 2.84Å; R427-D433 VanDerWaalsContact O-CB 3.25Å; R427-D433 WeakPolarHBondContact O-CB 3.48Å; C430-D433 HydrophobicContact CB-CB 4.15Å; C430-D433 PolarHBondContact O-N 2.85Å; C430-D433 PolarHBondContact SG-OD2 3.06Å; F431-D433 VanDerWaalsContact C-N 3.33Å; F431-D433 PolarHBondContact O-N 2.96Å; D433-R437 WeakPolarHBondContact O-CD 3.36Å; D433-R437 VanDerWaalsContact O-CG 3.25Å; D433-R437 WeakPolarHBondContact O-CG 3.33Å; D433-R437 PolarHBondContact O-NH1 2.89Å
434	Q	75.6	Confident	67.6	Low	103 Å²	103	121.4 Å²	121.4	48%	0.481	59%	0.585	S	S	.	*	H	α-helix	trans	-72.4	-52.4	169.9	-68.5	176.3	-4.2	0	0	110	E428 C430 F431 S436 R437	E428-Q434 PolarHBondContact O-NE2 2.82Å; C430-Q434 PolarHBondContact O-N 3.38Å; F431-Q434 PolarHBondContact O-N 2.87Å; Q434-S436 VanDerWaalsContact C-N 3.33Å; Q434-S436 PolarHBondContact O-N 3.34Å; Q434-R437 PolarHBondContact O-N 2.9Å
435	I	73.3	Confident	66.1	Low	78 Å²	78	117.2 Å²	117.2	40%	0.4	58%	0.584	S	S	.	*	H	α-helix	trans	-69.8	-27.3	179.6	69.2	-179.5	0	0	0	113	F431 Y432 R437 S438	F431-I435 HydrophobicContact CD1-CD1 4.3Å; F431-I435 HydrophobicContact CD2-CG2 4.35Å; F431-I435 HydrophobicContact CE1-CD1 3.83Å; F431-I435 HydrophobicContact CE1-CG2 4.48Å; F431-I435 HydrophobicContact CE2-CG2 3.9Å; F431-I435 HydrophobicContact CZ-CD1 4.21Å; F431-I435 HydrophobicContact CZ-CG2 3.98Å; F431-I435 PolarHBondContact O-N 3.23Å; Y432-I435 WeakPolarHBondContact O-CG1 3.4Å; I435-R437 PolarHBondContact O-N 3.19Å; I435-S438 PolarHBondContact O-OG 3.01Å
436	S	78	Confident	64.2	Low	91 Å²	91	116.7 Å²	116.7	64%	0.636	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-10.5	175.5	-60.9	0	0	0	0	113.9	Y432 Q434	Y432-S436 WeakPolarHBondContact O-CB 3.45Å; Y432-S436 PolarHBondContact O-N 2.75Å; Y432-S436 PolarHBondContact O-OG 2.83Å; Q434-S436 VanDerWaalsContact C-N 3.33Å; Q434-S436 PolarHBondContact O-N 3.34Å
437	R	65.4	Low	62.3	Low	116 Å²	116	120 Å²	120	44%	0.438	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	-19.8	-179.7	-78.7	175.1	175.3	117.8	-22.4	114	R427 D433 Q434 I435 D439 G440	R427-R437 PolarHBondContact O-NH1 3.34Å; D433-R437 WeakPolarHBondContact O-CD 3.36Å; D433-R437 VanDerWaalsContact O-CG 3.25Å; D433-R437 WeakPolarHBondContact O-CG 3.33Å; D433-R437 PolarHBondContact O-NH1 2.89Å; Q434-R437 PolarHBondContact O-N 2.9Å; I435-R437 PolarHBondContact O-N 3.19Å; R437-D439 VanDerWaalsContact C-N 3.35Å; R437-D439 PolarHBondContact O-N 2.71Å; R437-G440 PolarHBondContact O-N 2.85Å
438	S	59.1	Low	60.7	Low	94 Å²	94	121 Å²	121	66%	0.657	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-64.8	-35.7	-177.1	48.8	0	0	0	0	113.4	I435 G440	I435-S438 PolarHBondContact O-OG 3.01Å; S438-G440 PolarHBondContact O-N 2.84Å
439	D	56.9	Low	59.1	Low	154 Å²	154	122.3 Å²	122.3	82%	0.824	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-72.1	2	-178.7	-64.8	16.5	0	0	0	113.1	R437	R437-D439 VanDerWaalsContact C-N 3.35Å; R437-D439 PolarHBondContact O-N 2.71Å
440	G	48.6	Very low	57	Low	53 Å²	53	120.5 Å²	120.5	55%	0.546	64%	0.638	S	S	.	*	G	3₁₀ helix	trans	-123	25.3	-152.4	0	0	0	0	0	117.3	R437 S438	R437-G440 PolarHBondContact O-N 2.85Å; S438-G440 PolarHBondContact O-N 2.84Å
441	R	46.9	Very low	54.5	Low	217 Å²	217	123.1 Å²	123.1	82%	0.819	67%	0.67	S	S	*	*			trans	74.9	129.7	176.7	-164.8	-172.2	-161.8	-117.4	10.6	113.8	R443	R441-R443 PolarHBondContact O-N 2.87Å; R441-R443 VanDerWaalsContact O-N 3.11Å
442	P	48.7	Very low	52.3	Low	101 Å²	101	128.5 Å²	128.5	66%	0.656	69%	0.687	S	S	*	*			trans	-66.4	115.8	176.9	27.2	-33.6	0	0	0	110.9
443	R	43.9	Very low	50.5	Low	225 Å²	225	131.8 Å²	131.8	85%	0.849	70%	0.698	S	S	*	*			trans	-93.6	125.8	150.4	-90.3	-174.5	157.9	102.9	-5.2	106.8	R441 P445	R441-R443 PolarHBondContact O-N 2.87Å; R441-R443 VanDerWaalsContact O-N 3.11Å; R443-P445 WeakPolarHBondContact O-CD 3.38Å
444	S	36.4	Very low	48.4	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	73%	0.727	S	S	*	*			trans	-61.1	123.1	176.2	-169.3	0	0	0	0	109.9	T446	S444-T446 PolarHBondContact O-N 2.93Å
445	P	42.9	Very low	46.4	Very low	124 Å²	124	143.9 Å²	143.9	81%	0.805	74%	0.743	S	S	*	*			trans	-93.6	88.6	-176	34.9	-31.4	0	0	0	111.1	R443	R443-P445 WeakPolarHBondContact O-CD 3.38Å
446	T	45	Very low	44.6	Very low	124 Å²	124	149.4 Å²	149.4	76%	0.761	76%	0.764	S	S	*	*			trans	-134.7	134	160.7	32.4	0	0	0	0	111.1	S444	S444-T446 PolarHBondContact O-N 2.93Å
447	N	39.1	Very low	42.4	Very low	140 Å²	140	154.9 Å²	154.9	75%	0.749	78%	0.777	S	S	*	*			trans	-12.7	135.5	174.1	-63.2	-23.3	0	0	0	119.7
448	L	44.3	Very low	41.2	Very low	160 Å²	160	155.2 Å²	155.2	84%	0.838	80%	0.797	S	S	*	*				20.6	114	115.6	-57.8	147	0	0	0	113.5
449	Q	43.6	Very low	40.1	Very low	172 Å²	172	156.5 Å²	156.5	80%	0.804	80%	0.801	S	S	*	*				-179.7	151	65.2	-179.3	162.4	-20.6	0	0	110.2
450	S	34	Very low	39.1	Very low	115 Å²	115	156.9 Å²	156.9	80%	0.804	80%	0.803	S	S	*	*			trans	47.3	98.7	168.4	55.4	0	0	0	0	118.9
451	G	28	Very low	38.5	Very low	84 Å²	84	158.1 Å²	158.1	87%	0.866	80%	0.803	S	S	*	*			trans	-131.1	29.3	171.1	0	0	0	0	0	114.5
452	W	31.9	Very low	38.1	Very low	244 Å²	244	153.9 Å²	153.9	92%	0.924	79%	0.793	S	S	*	*			trans	-75.1	170.7	172	-88.3	69.7	0	0	0	111.5
453	R	38.5	Very low	37.9	Very low	237 Å²	237	158.1 Å²	158.1	89%	0.894	80%	0.797	S	S	*	*			trans	88	117	164.3	-47.7	-175.6	-151.1	-97.8	1.7	116.3
454	K	37	Very low	37.6	Very low	177 Å²	177	153.7 Å²	153.7	77%	0.77	79%	0.79	S	S	*	*			trans	-67.8	161.4	156.5	-52.9	169	-175.8	175.4	0	109.1
455	Y	33.4	Very low	37.7	Very low	208 Å²	208	153 Å²	153	82%	0.816	79%	0.785	S	S	*	*			trans	74.2	117.6	166.7	-56.6	-75.6	0	0	0	119.4
456	K	34.7	Very low	37.4	Very low	193 Å²	193	150.3 Å²	150.3	84%	0.839	78%	0.78	S	S	*	*			trans	33.7	139.2	134.5	-71.7	-171.9	175.4	-178.5	0	121.7
457	K	32.7	Very low	37.1	Very low	206 Å²	206	152 Å²	152	90%	0.896	78%	0.784	S	S	*	*			trans	65.4	103.8	152.6	-72.2	-173	172	-169	0	117.6
458	S	38.9	Very low	37.2	Very low	123 Å²	123	149.4 Å²	149.4	86%	0.86	78%	0.776	S	S	*	*				-146.7	153.5	116.4	-166.6	0	0	0	0	109.5
459	T	36.5	Very low	37.2	Very low	121 Å²	121	147.9 Å²	147.9	74%	0.742	77%	0.774	S	S	*	*			trans	-118.3	129.6	-178.9	45.5	0	0	0	0	110
460	N	35.4	Very low	36.9	Very low	162 Å²	162	151 Å²	151	87%	0.866	78%	0.778	S	S	*	*				-164	155.5	129.2	-106.8	-11.4	0	0	0	112.8
461	S	36.4	Very low	37	Very low	79 Å²	79	148.7 Å²	148.7	55%	0.552	77%	0.772	S	S	*	*			trans	-74.8	164.1	171.9	35.7	0	0	0	0	110.7
462	H	39.4	Very low	37.4	Very low	129 Å²	129	156.5 Å²	156.5	60%	0.597	78%	0.775	S	S	*	*				-168.2	150.1	59.6	-89.1	-80.7	0	0	0	114.6
463	Y	43.4	Very low	37.6	Very low	189 Å²	189	151 Å²	151	74%	0.741	77%	0.769	S	S	*	*			trans	59	138.3	142.2	-60	-34.3	0	0	0	120.7
464	N	39.4	Very low	37.6	Very low	133 Å²	133	144.3 Å²	144.3	71%	0.711	76%	0.758	S	S	*	*			cis	-157.7	174.9	-12.8	-139.2	-11.2	0	0	0	113.6
465	S	37.9	Very low	37.8	Very low	94 Å²	94	142.8 Å²	142.8	66%	0.657	76%	0.759	S	S	*	*			trans	-6.8	143.3	156.8	56.5	0	0	0	0	118.9
466	G	35.6	Very low	38.2	Very low	67 Å²	67	138 Å²	138	69%	0.691	76%	0.755	S	S	*	*			cis	-179.2	-136.7	18	0	0	0	0	0	110.3
467	L	39.9	Very low	38.4	Very low	160 Å²	160	134.1 Å²	134.1	84%	0.838	75%	0.753	S	S	*	*			cis	176.5	152.2	-29.1	-116.9	64.3	0	0	0	105.1
468	S	40.4	Very low	38.7	Very low	84 Å²	84	127.6 Å²	127.6	59%	0.587	74%	0.744	S	S	*	*			cis	-174.2	159.3	-23.1	44.4	0	0	0	0	110.2
469	T	44.5	Very low	38.8	Very low	129 Å²	129	127.8 Å²	127.8	79%	0.791	74%	0.74	S	S	*	*			trans	70.7	154.8	170.4	71.4	0	0	0	0	117.4
470	R	37.2	Very low	39	Very low	238 Å²	238	129 Å²	129	90%	0.898	74%	0.74	S	S	*	*			cis	-159.4	154.3	-9.2	-120.1	166.5	170.7	174	-4.2	105.7
471	G	35.4	Very low	39.1	Very low	65 Å²	65	124.6 Å²	124.6	67%	0.67	73%	0.733	S	S	*	*			cis	119.7	80.2	0.9	0	0	0	0	0	113.6
472	R	37	Very low	39.2	Very low	249 Å²	249	123.9 Å²	123.9	94%	0.94	74%	0.738	S	S	*	*			trans	-164.3	150.8	159.4	-122	170.8	173.7	-178.6	-5.3	115.9
473	T	35.8	Very low	39.5	Very low	129 Å²	129	124.5 Å²	124.5	79%	0.791	75%	0.746	S	S	*	*			trans	-69.6	171.4	173.2	52	0	0	0	0	112.5
474	S	38.9	Very low	39.8	Very low	95 Å²	95	118.3 Å²	118.3	66%	0.664	73%	0.731	S	S	*	*			cis	-157.2	168	21.9	51.6	0	0	0	0	112.6
475	N	41.4	Very low	40.2	Very low	146 Å²	146	121.3 Å²	121.3	78%	0.781	73%	0.732	S	S	*	*				179	147.3	120	-90.1	-1.6	0	0	0	115.6
476	S	42.6	Very low	41.1	Very low	107 Å²	107	121 Å²	121	75%	0.748	73%	0.727	S	S	*	*			trans	33.9	95.3	156.3	60.7	0	0	0	0	119.7	G478	S476-G478 PolarHBondContact O-N 3.44Å
477	S	38.3	Very low	42.3	Very low	112 Å²	112	120 Å²	120	78%	0.783	71%	0.709	S	S	*	*			trans	-24.6	119.4	145	49.9	0	0	0	0	116.7
478	G	38.9	Very low	43.6	Very low	69 Å²	69	117 Å²	117	71%	0.711	69%	0.693	S	S	*	*			trans	-127.3	86.5	156.1	0	0	0	0	0	109.4	S476 I480	S476-G478 PolarHBondContact O-N 3.44Å; G478-I480 PolarHBondContact O-N 3.35Å
479	T	41.4	Very low	45	Very low	126 Å²	126	115.6 Å²	115.6	77%	0.773	68%	0.683	S	S	*	*			trans	-53.1	102.4	-168.9	-49.2	0	0	0	0	111.8
480	I	39.2	Very low	46.5	Very low	146 Å²	146	116.7 Å²	116.7	75%	0.749	68%	0.677	S	S	*	*				70.5	99.3	74	-59.4	163.8	0	0	0	112.5	G478	G478-I480 PolarHBondContact O-N 3.35Å
481	G	37.5	Very low	48.5	Very low	70 Å²	70	114.1 Å²	114.1	72%	0.722	67%	0.667	S	S	*	*			trans	-130.1	109.2	156.4	0	0	0	0	0	107.8	N483	G481-N483 PolarHBondContact O-N 2.76Å
482	G	39.3	Very low	50.4	Low	64 Å²	64	116.3 Å²	116.3	66%	0.66	66%	0.66	S	S	*	*			trans	-60.9	133.5	-159.2	0	0	0	0	0	115.6	S484	G482-S484 PolarHBondContact O-N 2.94Å
483	N	46.3	Very low	52.3	Low	142 Å²	142	110.3 Å²	110.3	76%	0.759	64%	0.637	S	S	*	*			trans	-71.9	63.7	173.7	-74.4	-21.2	0	0	0	112.1	G481 W485	G481-N483 PolarHBondContact O-N 2.76Å; N483-W485 PolarHBondContact O-N 3Å
484	S	49.1	Very low	54.3	Low	60 Å²	60	108.8 Å²	108.8	42%	0.42	62%	0.621	S	S	.	*			trans	-55.6	137.2	163.1	178.4	0	0	0	0	109.1	G482 T486 S487	G482-S484 PolarHBondContact O-N 2.94Å; S484-T486 PolarHBondContact O-N 3.44Å; S484-T486 PolarHBondContact OG-N 3.48Å; S484-T486 PolarHBondContact OG-OG1 3.24Å; S484-S487 PolarHBondContact O-N 3.08Å; S484-S487 PolarHBondContact O-OG 3.37Å
485	W	47.1	Very low	56.3	Low	196 Å²	196	108.5 Å²	108.5	74%	0.742	61%	0.612	S	S	*	*	H	α-helix	trans	-51.8	-24.7	172.8	-62.3	81.2	0	0	0	112.8	N483 S487 S489	N483-W485 PolarHBondContact O-N 3Å; W485-S487 PolarHBondContact O-N 2.77Å; W485-S489 PolarHBondContact O-N 2.84Å; W485-S489 PolarHBondContact O-OG 3.17Å
486	T	56.7	Low	58.1	Low	88 Å²	88	104.3 Å²	104.3	54%	0.54	59%	0.59	S	S	.	*	H	α-helix	trans	-68.7	-24	173.9	68.9	0	0	0	0	114.7	S484 K490	S484-T486 PolarHBondContact O-N 3.44Å; S484-T486 PolarHBondContact OG-N 3.48Å; S484-T486 PolarHBondContact OG-OG1 3.24Å; T486-K490 VanDerWaalsContact O-CG 3.29Å; T486-K490 WeakPolarHBondContact O-CG 3.42Å; T486-K490 PolarHBondContact O-N 3.14Å; T486-K490 VanDerWaalsContact O-N 3.14Å
487	S	60.8	Low	59.7	Low	46 Å²	46	103.6 Å²	103.6	32%	0.322	57%	0.573	S	S	.	*	H	α-helix	trans	-76.5	-39.4	175.5	74.5	0	0	0	0	111.4	S484 W485 K490 R491	S484-S487 PolarHBondContact O-N 3.08Å; S484-S487 PolarHBondContact O-OG 3.37Å; W485-S487 PolarHBondContact O-N 2.77Å; S487-K490 WeakPolarHBondContact O-CB 3.21Å; S487-K490 PolarHBondContact O-N 3.32Å; S487-K490 VanDerWaalsContact O-N 3.17Å; S487-R491 PolarHBondContact O-N 3.16Å
488	L	68.3	Low	61.8	Low	97 Å²	97	104 Å²	104	51%	0.508	56%	0.563	S	S	.	*	H	α-helix	trans	-59	-52.7	171.2	-69.4	172	0	0	0	110.5	K490 R491 E492	L488-K490 PolarHBondContact O-N 3.11Å; L488-K490 VanDerWaalsContact O-N 3.15Å; L488-R491 PolarHBondContact O-N 3.34Å; L488-R491 VanDerWaalsContact O-N 3.11Å; L488-E492 WeakPolarHBondContact O-CB 3.41Å; L488-E492 PolarHBondContact O-N 3.11Å
489	S	70.2	Confident	63.7	Low	54 Å²	54	104.1 Å²	104.1	38%	0.378	55%	0.55	S	S	.	.	H	α-helix	trans	-62.9	-21.1	176.2	-57.6	0	0	0	0	114.1	W485 R493	W485-S489 PolarHBondContact O-N 2.84Å; W485-S489 PolarHBondContact O-OG 3.17Å; S489-R493 WeakPolarHBondContact O-CB 3.35Å; S489-R493 WeakPolarHBondContact O-CD 3.38Å; S489-R493 WeakPolarHBondContact O-CG 3.49Å; S489-R493 PolarHBondContact O-N 3.15Å
490	K	75.7	Confident	65.4	Low	151 Å²	151	102.8 Å²	102.8	66%	0.657	53%	0.533	S	S	*	.	H	α-helix	trans	-76.9	-48.2	170.2	-80.8	173	178.2	-178.6	0	111.4	T486 S487 L488 E492 R493 Q494	T486-K490 VanDerWaalsContact O-CG 3.29Å; T486-K490 WeakPolarHBondContact O-CG 3.42Å; T486-K490 PolarHBondContact O-N 3.14Å; T486-K490 VanDerWaalsContact O-N 3.14Å; S487-K490 WeakPolarHBondContact O-CB 3.21Å; S487-K490 PolarHBondContact O-N 3.32Å; S487-K490 VanDerWaalsContact O-N 3.17Å; L488-K490 PolarHBondContact O-N 3.11Å; L488-K490 VanDerWaalsContact O-N 3.15Å; K490-E492 VanDerWaalsContact C-N 3.33Å; K490-E492 PolarHBondContact O-N 2.89Å; K490-R493 PolarHBondContact O-N 3.3Å; K490-Q494 WeakPolarHBondContact O-CB 3.39Å; K490-Q494 PolarHBondContact O-N 3.47Å
491	R	78	Confident	67.3	Low	185 Å²	185	96.8 Å²	96.8	70%	0.698	51%	0.508	S	S	*	.	H	α-helix	trans	-59.8	-43.6	176.4	176.1	-178.9	-94	-167.6	-5.3	111.3	S487 L488 Q494 L495	S487-R491 PolarHBondContact O-N 3.16Å; L488-R491 PolarHBondContact O-N 3.34Å; L488-R491 VanDerWaalsContact O-N 3.11Å; R491-Q494 WeakPolarHBondContact O-CB 3.35Å; R491-Q494 PolarHBondContact O-N 2.75Å; R491-L495 HydrophobicContact CG-CD1 4.14Å; R491-L495 WeakPolarHBondContact O-CG 3.4Å; R491-L495 PolarHBondContact O-N 2.87Å
492	E	76.7	Confident	69	Low	110 Å²	110	95.9 Å²	95.9	51%	0.514	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-45.9	176.3	-176.1	-171.9	-171.4	0	0	111.8	L488 K490 Q494 L495 N496	L488-E492 WeakPolarHBondContact O-CB 3.41Å; L488-E492 PolarHBondContact O-N 3.11Å; K490-E492 VanDerWaalsContact C-N 3.33Å; K490-E492 PolarHBondContact O-N 2.89Å; E492-Q494 VanDerWaalsContact C-N 3.28Å; E492-Q494 PolarHBondContact O-N 3.22Å; E492-L495 PolarHBondContact O-N 2.94Å; E492-N496 VanDerWaalsContact O-CB 3.3Å; E492-N496 WeakPolarHBondContact O-CB 3.39Å; E492-N496 VanDerWaalsContact O-CG 3.22Å; E492-N496 PolarHBondContact O-N 3.02Å; E492-N496 PolarHBondContact O-ND2 3.15Å
493	R	75.6	Confident	70.3	Confident	123 Å²	123	98.1 Å²	98.1	46%	0.464	48%	0.484	S	S	.	.	H	α-helix	trans	-62.4	-34.5	173.9	-75.5	168.1	-173.1	-118.8	-7.3	112.9	S489 K490 F497	S489-R493 WeakPolarHBondContact O-CB 3.35Å; S489-R493 WeakPolarHBondContact O-CD 3.38Å; S489-R493 WeakPolarHBondContact O-CG 3.49Å; S489-R493 PolarHBondContact O-N 3.15Å; K490-R493 PolarHBondContact O-N 3.3Å; R493-F497 VanDerWaalsContact O-CB 3.28Å; R493-F497 WeakPolarHBondContact O-CB 3.43Å; R493-F497 PolarHBondContact O-N 3.33Å
494	Q	78.1	Confident	71.2	Confident	97 Å²	97	93.1 Å²	93.1	45%	0.453	46%	0.462	S	S	.	.	H	α-helix	trans	-67.3	-50.5	175.6	-174.7	62.7	27.4	0	0	110.8	K490 R491 E492 N496 F497 E498	K490-Q494 WeakPolarHBondContact O-CB 3.39Å; K490-Q494 PolarHBondContact O-N 3.47Å; R491-Q494 WeakPolarHBondContact O-CB 3.35Å; R491-Q494 PolarHBondContact O-N 2.75Å; E492-Q494 VanDerWaalsContact C-N 3.28Å; E492-Q494 PolarHBondContact O-N 3.22Å; Q494-N496 VanDerWaalsContact C-N 3.28Å; Q494-N496 PolarHBondContact O-N 3.46Å; Q494-F497 WeakPolarHBondContact O-CB 3.16Å; Q494-F497 PolarHBondContact O-N 2.97Å; Q494-F497 VanDerWaalsContact O-N 3.11Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.48Å; Q494-E498 PolarHBondContact NE2-OE1 3.24Å; Q494-E498 WeakPolarHBondContact O-CB 3.42Å; Q494-E498 WeakPolarHBondContact O-CG 3.42Å; Q494-E498 PolarHBondContact O-N 2.93Å
495	L	81.4	Confident	71.6	Confident	90 Å²	90	93.7 Å²	93.7	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-58.7	-39.5	174.6	-70.4	170.2	0	0	0	112	R491 E492 T499	R491-L495 HydrophobicContact CG-CD1 4.14Å; R491-L495 WeakPolarHBondContact O-CG 3.4Å; R491-L495 PolarHBondContact O-N 2.87Å; E492-L495 PolarHBondContact O-N 2.94Å; L495-T499 WeakPolarHBondContact O-CB 3.24Å; L495-T499 PolarHBondContact O-N 3.31Å; L495-T499 PolarHBondContact O-OG1 2.85Å
496	N	79.9	Confident	72.1	Confident	58 Å²	58	91.3 Å²	91.3	31%	0.31	46%	0.458	S	S	.	.	H	α-helix	trans	-68.6	-39.5	176.1	-72.8	-19.5	0	0	0	111.5	E492 Q494 T499 F500 A504	E492-N496 VanDerWaalsContact O-CB 3.3Å; E492-N496 WeakPolarHBondContact O-CB 3.39Å; E492-N496 VanDerWaalsContact O-CG 3.22Å; E492-N496 PolarHBondContact O-N 3.02Å; E492-N496 PolarHBondContact O-ND2 3.15Å; Q494-N496 VanDerWaalsContact C-N 3.28Å; Q494-N496 PolarHBondContact O-N 3.46Å; N496-T499 PolarHBondContact O-N 3.41Å; N496-F500 HydrophobicContact CB-CD2 4.4Å; N496-F500 WeakPolarHBondContact O-CA 3.35Å; N496-F500 WeakPolarHBondContact O-CD2 3.22Å; N496-F500 PolarHBondContact O-N 2.98Å; N496-A504 HydrophobicContact CB-CB 3.72Å; N496-A504 WeakPolarHBondContact O-CB 3.43Å
497	F	74.9	Confident	72	Confident	91 Å²	91	95.4 Å²	95.4	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-64.9	-41.5	174	-178.7	-105.3	0	0	0	112.6	R493 Q494 G501 P502 T505	R493-F497 VanDerWaalsContact O-CB 3.28Å; R493-F497 WeakPolarHBondContact O-CB 3.43Å; R493-F497 PolarHBondContact O-N 3.33Å; Q494-F497 WeakPolarHBondContact O-CB 3.16Å; Q494-F497 PolarHBondContact O-N 2.97Å; Q494-F497 VanDerWaalsContact O-N 3.11Å; F497-G501 CarbonylContact O-C 3.58Å; F497-G501 WeakPolarHBondContact O-CA 3.09Å; F497-G501 PolarHBondContact O-N 2.88Å; F497-P502 HydrophobicContact CE2-CB 4.07Å; F497-T505 HydrophobicContact CB-CG2 3.9Å; F497-T505 HydrophobicContact CD2-CG2 3.61Å; F497-T505 HydrophobicContact CG-CG2 4.1Å
498	E	82.3	Confident	71.4	Confident	121 Å²	121	97.5 Å²	97.5	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-68	-38.5	176.1	-72.1	165.1	-179	0	0	111.9	Q494	Q494-E498 WeakPolarHBondContact CG-OE1 3.48Å; Q494-E498 PolarHBondContact NE2-OE1 3.24Å; Q494-E498 WeakPolarHBondContact O-CB 3.42Å; Q494-E498 WeakPolarHBondContact O-CG 3.42Å; Q494-E498 PolarHBondContact O-N 2.93Å
499	T	80.1	Confident	70	Confident	72 Å²	72	102 Å²	102	44%	0.442	49%	0.492	S	S	.	.	H	α-helix	trans	-78.8	-59.1	-178.9	-57.5	0	0	0	0	111.7	Q195 L495 N496	Q195-T499 PolarHBondContact NE2-O 3.15Å; L495-T499 WeakPolarHBondContact O-CB 3.24Å; L495-T499 PolarHBondContact O-N 3.31Å; L495-T499 PolarHBondContact O-OG1 2.85Å; N496-T499 PolarHBondContact O-N 3.41Å
500	F	77.1	Confident	68.4	Low	97 Å²	97	110 Å²	110	43%	0.425	51%	0.514	S	S	.	.	H	α-helix	trans	-98.5	2.2	-171	-51.5	-111.4	0	0	0	113.6	Q195 N496 A504	Q195-F500 HydrophobicContact CB-CD1 3.79Å; Q195-F500 HydrophobicContact CB-CE1 4.1Å; Q195-F500 HydrophobicContact CG-CB 4.05Å; Q195-F500 HydrophobicContact CG-CD1 3.48Å; Q195-F500 VanDerWaalsContact CG-CD1 3.48Å; Q195-F500 HydrophobicContact CG-CE1 4.22Å; Q195-F500 HydrophobicContact CG-CG 3.99Å; N496-F500 HydrophobicContact CB-CD2 4.4Å; N496-F500 WeakPolarHBondContact O-CA 3.35Å; N496-F500 WeakPolarHBondContact O-CD2 3.22Å; N496-F500 PolarHBondContact O-N 2.98Å; F500-A504 HydrophobicContact CB-CB 3.72Å; F500-A504 HydrophobicContact CD2-CB 4.47Å; F500-A504 HydrophobicContact CG-CB 4.41Å
501	G	78.1	Confident	66.4	Low	21 Å²	21	112.7 Å²	112.7	22%	0.216	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	71.3	-165	-179.1	0	0	0	0	0	113.8	F497 M503 A504	F497-G501 CarbonylContact O-C 3.58Å; F497-G501 WeakPolarHBondContact O-CA 3.09Å; F497-G501 PolarHBondContact O-N 2.88Å; G501-M503 PolarHBondContact O-N 2.97Å; G501-A504 PolarHBondContact O-N 2.91Å
502	P	73.6	Confident	64.4	Low	51 Å²	51	112 Å²	112	33%	0.331	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-67	0.9	-179.9	27.2	-34.2	0	0	0	114.5	Y198 F497 T505	Y198-P502 HydrophobicContact CE2-CG 3.82Å; Y198-P502 WeakPolarHBondContact OH-CG 3.42Å; F497-P502 HydrophobicContact CE2-CB 4.07Å; P502-T505 PolarHBondContact O-OG1 3.35Å
503	M	66.1	Low	62.6	Low	111 Å²	111	117.2 Å²	117.2	55%	0.547	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-76.3	-30.6	166.9	-72.7	174.2	62.2	0	0	112.2	G501 K506	G501-M503 PolarHBondContact O-N 2.97Å; M503-K506 WeakPolarHBondContact O-CB 3.03Å; M503-K506 PolarHBondContact O-N 2.65Å
504	A	65.4	Low	60.7	Low	37 Å²	37	122.5 Å²	122.5	31%	0.306	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	-31	177.6	0	0	0	0	0	114	N496 F500 G501 K506	N496-A504 HydrophobicContact CB-CB 3.72Å; N496-A504 WeakPolarHBondContact O-CB 3.43Å; F500-A504 HydrophobicContact CB-CB 3.72Å; F500-A504 HydrophobicContact CD2-CB 4.47Å; F500-A504 HydrophobicContact CG-CB 4.41Å; G501-A504 PolarHBondContact O-N 2.91Å; A504-K506 PolarHBondContact O-N 2.89Å
505	T	58.2	Low	59	Low	72 Å²	72	122.3 Å²	122.3	44%	0.442	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	-7.1	177	42.4	0	0	0	0	113.2	F497 P502 R507	F497-T505 HydrophobicContact CB-CG2 3.9Å; F497-T505 HydrophobicContact CD2-CG2 3.61Å; F497-T505 HydrophobicContact CG-CG2 4.1Å; P502-T505 PolarHBondContact O-OG1 3.35Å; T505-R507 VanDerWaalsContact C-N 3.31Å; T505-R507 PolarHBondContact O-N 2.93Å
506	K	57.2	Low	56.9	Low	145 Å²	145	123.8 Å²	123.8	63%	0.63	59%	0.587	S	S	*	*			trans	-66.7	93.2	164.5	-62.1	179.6	-177.9	179.8	0	108.4	M503 A504 P508	M503-K506 WeakPolarHBondContact O-CB 3.03Å; M503-K506 PolarHBondContact O-N 2.65Å; A504-K506 PolarHBondContact O-N 2.89Å; K506-P508 WeakPolarHBondContact O-CD 3.37Å; K506-P508 VanDerWaalsContact O-N 3.14Å
507	R	54.9	Low	55.3	Low	175 Å²	175	124.3 Å²	124.3	66%	0.66	60%	0.595	S	S	*	*			trans	-47.6	125.1	149.9	-67.1	-171.6	-171.6	-139.9	4.2	105.6	T505 F509	T505-R507 VanDerWaalsContact C-N 3.31Å; T505-R507 PolarHBondContact O-N 2.93Å; R507-F509 PolarHBondContact O-N 2.86Å
508	P	46.6	Very low	54.1	Low	89 Å²	89	123 Å²	123	58%	0.578	59%	0.594	S	S	*	*			trans	-55.8	120.6	164.9	22.6	-31.3	0	0	0	106.6	K506 W510	K506-P508 WeakPolarHBondContact O-CD 3.37Å; K506-P508 VanDerWaalsContact O-N 3.14Å; P508-W510 HydrophobicContact CB-CG 4.31Å; P508-W510 PolarHBondContact O-N 3.18Å
509	F	39.2	Very low	52.5	Low	193 Å²	193	120.9 Å²	120.9	85%	0.846	59%	0.591	S	S	*	*			trans	-70.8	64.4	157.5	-94.1	-85.8	0	0	0	107.7	R507 R511	R507-F509 PolarHBondContact O-N 2.86Å; F509-R511 PolarHBondContact O-N 3.48Å
510	W	36.4	Very low	51.1	Low	220 Å²	220	124.4 Å²	124.4	83%	0.833	60%	0.596	S	S	*	*				-47.8	83.5	120.9	-53.6	119.5	0	0	0	106.4	P508 Q512	P508-W510 HydrophobicContact CB-CG 4.31Å; P508-W510 PolarHBondContact O-N 3.18Å; W510-Q512 PolarHBondContact O-N 2.81Å
511	R	34.5	Very low	50	Low	208 Å²	208	126.3 Å²	126.3	79%	0.785	61%	0.611	S	S	*	*			trans	-41.8	119.8	138	-72.5	-179.7	178	-99.7	1.3	103	F509 R513	F509-R511 PolarHBondContact O-N 3.48Å; R511-R513 PolarHBondContact O-N 2.9Å
512	Q	35.7	Very low	48.8	Very low	172 Å²	172	131.2 Å²	131.2	80%	0.804	63%	0.632	S	S	*	*			trans	-56.4	95.9	165.5	-175.5	178.2	14.2	0	0	104.1	W510 R514	W510-Q512 PolarHBondContact O-N 2.81Å; Q512-R514 PolarHBondContact O-N 3.45Å
513	R	39	Very low	47.5	Very low	219 Å²	219	134.5 Å²	134.5	83%	0.826	64%	0.641	S	S	*	*			trans	-54	109.8	160.9	-81.3	-167.8	178.7	-157.1	1.9	100.7	R511 S515	R511-R513 PolarHBondContact O-N 2.9Å; R513-S515 PolarHBondContact O-N 2.66Å
514	R	35.8	Very low	46.7	Very low	234 Å²	234	135.3 Å²	135.3	88%	0.883	65%	0.652	S	S	*	*			trans	-63.9	83.1	160.2	-72	-177.8	175.2	-172.8	-2.4	102.5	Q512 S516	Q512-R514 PolarHBondContact O-N 3.45Å; R514-S516 PolarHBondContact O-N 3.34Å
515	S	41.9	Very low	45.8	Very low	93 Å²	93	139.4 Å²	139.4	65%	0.65	68%	0.678	S	S	*	*			trans	-53.9	120.7	179.4	-63.5	0	0	0	0	104	R513 S517	R513-S515 PolarHBondContact O-N 2.66Å; S515-S517 PolarHBondContact O-N 2.99Å
516	S	36.9	Very low	45.2	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	70%	0.695	S	S	*	*			trans	-70.3	51.6	169.2	49.8	0	0	0	0	108.9	R514 V518	R514-S516 PolarHBondContact O-N 3.34Å; S516-V518 VanDerWaalsContact C-N 3.27Å; S516-V518 PolarHBondContact O-N 3.4Å
517	S	46.5	Very low	44.7	Very low	69 Å²	69	134.8 Å²	134.8	48%	0.483	67%	0.673	S	S	.	*			trans	-68.2	96.5	162.7	-176.6	0	0	0	0	104.8	S515	S515-S517 PolarHBondContact O-N 2.99Å
518	V	51.1	Low	44.1	Very low	64 Å²	64	131.4 Å²	131.4	39%	0.388	68%	0.683	S	S	.	*			trans	-29.5	138.5	153.8	-178.5	0	0	0	0	110	S516 R520 L522 F523	S516-V518 VanDerWaalsContact C-N 3.27Å; S516-V518 PolarHBondContact O-N 3.4Å; V518-R520 PolarHBondContact O-N 2.88Å; V518-L522 HydrophobicContact CG1-CB 3.79Å; V518-L522 HydrophobicContact CG1-CD1 3.75Å; V518-L522 HydrophobicContact CG1-CG 4.37Å; V518-F523 HydrophobicContact CB-CE2 4.09Å; V518-F523 HydrophobicContact CG1-CE2 4.06Å; V518-F523 HydrophobicContact CG2-CE2 4.48Å
519	P	48.8	Very low	44	Very low	77 Å²	77	133.6 Å²	133.6	50%	0.5	69%	0.688	S	S	.	*			trans	-46.6	137.7	174.5	-29.6	35.1	0	0	0	111.9	D521 L522	P519-D521 PolarHBondContact O-N 2.85Å; P519-L522 HydrophobicContact CG-CD1 4.5Å; P519-L522 PolarHBondContact O-N 3.05Å
520	R	50.5	Low	44.2	Very low	146 Å²	146	130.4 Å²	130.4	55%	0.551	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-66.6	-5	-179.5	-79.8	-167.7	164.4	91.8	-1.9	114	V518 L522 S527 A528	V518-R520 PolarHBondContact O-N 2.88Å; R520-L522 VanDerWaalsContact C-N 3.3Å; R520-S527 VanDerWaalsContact CA-OG 3.28Å; R520-S527 WeakPolarHBondContact CA-OG 3.45Å; R520-S527 WeakPolarHBondContact CD-O 3.46Å; R520-S527 WeakPolarHBondContact CG-O 3.37Å; R520-S527 PolarHBondContact NE-O 3.29Å; R520-S527 WeakPolarHBondContact O-CB 3.29Å; R520-S527 PolarHBondContact O-OG 3.24Å; R520-A528 HydrophobicContact CG-CB 4.3Å; R520-A528 PolarHBondContact NE-O 3.5Å; R520-A528 PolarHBondContact NH2-O 3.01Å; R520-A528 PolarHBondContact NH2-OXT 3.44Å; R520-A528 VanDerWaalsContact NH2-OXT 3.15Å
521	D	52.6	Low	44.7	Very low	137 Å²	137	125.4 Å²	125.4	73%	0.733	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-86.3	-0.1	175.7	-42.3	-62.5	0	0	0	112.4	P519	P519-D521 PolarHBondContact O-N 2.85Å
522	L	53.1	Low	45.3	Very low	124 Å²	124	120.6 Å²	120.6	65%	0.649	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-109.1	1.1	-180	-68	178.1	0	0	0	115.6	V518 P519 R520	V518-L522 HydrophobicContact CG1-CB 3.79Å; V518-L522 HydrophobicContact CG1-CD1 3.75Å; V518-L522 HydrophobicContact CG1-CG 4.37Å; P519-L522 HydrophobicContact CG-CD1 4.5Å; P519-L522 PolarHBondContact O-N 3.05Å; R520-L522 VanDerWaalsContact C-N 3.3Å
523	F	46.3	Very low	45.9	Very low	120 Å²	120	117.4 Å²	117.4	53%	0.526	66%	0.655	S	S	.	*	S	Bend	trans	-125.8	63.4	162.1	-57.3	-98	0	0	0	110	V518 S525 S527	V518-F523 HydrophobicContact CB-CE2 4.09Å; V518-F523 HydrophobicContact CG1-CE2 4.06Å; V518-F523 HydrophobicContact CG2-CE2 4.48Å; F523-S525 PolarHBondContact O-N 3.49Å; F523-S525 VanDerWaalsContact O-N 3.14Å; F523-S527 WeakPolarHBondContact O-CA 3.3Å; F523-S527 WeakPolarHBondContact O-CB 3.47Å; F523-S527 PolarHBondContact O-N 2.79Å
524	V	50.9	Low	46.3	Very low	128 Å²	128	110.6 Å²	110.6	78%	0.776	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.7	122.6	170.8	179.8	0	0	0	0	108.7
525	S	46.5	Very low	47.1	Very low	123 Å²	123	101.8 Å²	101.8	86%	0.86	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	56	84.8	-170.3	-61.4	0	0	0	0	113.9	F523	F523-S525 PolarHBondContact O-N 3.49Å; F523-S525 VanDerWaalsContact O-N 3.14Å
526	A	45.7	Very low	47.5	Very low	97 Å²	97	102.5 Å²	102.5	80%	0.802	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	cis	-143	101.2	3.1	0	0	0	0	0	110	A528	A526-A528 PolarHBondContact O-N 2.95Å; A526-A528 VanDerWaalsContact O-N 3.11Å
527	S	45.5	Very low	48.4	Very low	23 Å²	23	101 Å²	101	16%	0.161	61%	0.607	C	S	.	*			trans	-70.6	108.9	-156.9	-165.5	0	0	0	0	116.9	R520 F523	R520-S527 VanDerWaalsContact CA-OG 3.28Å; R520-S527 WeakPolarHBondContact CA-OG 3.45Å; R520-S527 WeakPolarHBondContact CD-O 3.46Å; R520-S527 WeakPolarHBondContact CG-O 3.37Å; R520-S527 PolarHBondContact NE-O 3.29Å; R520-S527 WeakPolarHBondContact O-CB 3.29Å; R520-S527 PolarHBondContact O-OG 3.24Å; F523-S527 WeakPolarHBondContact O-CA 3.3Å; F523-S527 WeakPolarHBondContact O-CB 3.47Å; F523-S527 PolarHBondContact O-N 2.79Å
528	A	42.9	Very low	48.5	Very low	104 Å²	104	103.9 Å²	103.9	86%	0.86	62%	0.619	S	S	*	*			trans	63.5	0	149.8	0	0	0	0	0	118.9	R520 A526	R520-A528 HydrophobicContact CG-CB 4.3Å; R520-A528 PolarHBondContact NE-O 3.5Å; R520-A528 PolarHBondContact NH2-O 3.01Å; R520-A528 PolarHBondContact NH2-OXT 3.44Å; R520-A528 VanDerWaalsContact NH2-OXT 3.15Å; A526-A528 PolarHBondContact O-N 2.95Å; A526-A528 VanDerWaalsContact O-N 3.11Å

Retrieved 528 of 528 residues in 237.4 ms (Link to these results)

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