A0A3Q0KR42_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KR42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 497 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	30	Very low	194 Å²	194	145.1 Å²	145.1	96%	0.956	71%	0.705	S	S	*	*				0	107.1	0	-176.7	-179.6	-73.4	0	0	107	L23	M1-L23 HydrophobicContact CE-CD1 4.12Å; M1-L23 HydrophobicContact CE-CD2 4.42Å
2	H	25.4	Very low	30.8	Very low	176 Å²	176	144.3 Å²	144.3	82%	0.815	71%	0.707	S	S	*	*			trans	-99.2	111.9	-177.7	-74.6	-78.2	0	0	0	110.1
3	L	30	Very low	32.5	Very low	109 Å²	109	139.8 Å²	139.8	57%	0.571	68%	0.683	S	S	*	*			trans	-82.3	122.2	164.6	-82.9	157.2	0	0	0	108.3
4	Y	26.9	Very low	35	Very low	182 Å²	182	138.8 Å²	138.8	71%	0.714	67%	0.668	S	S	*	*			trans	-74.8	129.5	-178.4	-84.6	-95.4	0	0	0	111.2	F6	Y4-F6 PolarHBondContact O-N 3.05Å
5	R	29.8	Very low	38.3	Very low	189 Å²	189	136.7 Å²	136.7	71%	0.713	66%	0.657	S	S	*	*			trans	-96.7	92.2	-173.2	-177.2	177.1	-119.3	-158.9	-1.2	111.4	W54	R5-W54 HydrophobicContact CB-CH2 4.03Å; R5-W54 HydrophobicContact CB-CZ3 4.45Å; R5-W54 HydrophobicContact CG-CH2 3.94Å; R5-W54 HydrophobicContact CG-CZ3 3.94Å
6	F	30.5	Very low	41.1	Very low	194 Å²	194	130.8 Å²	130.8	85%	0.851	63%	0.628	S	S	*	*			trans	-96.9	104.9	163.5	-83.6	-83.5	0	0	0	110	Y4	Y4-F6 PolarHBondContact O-N 3.05Å
7	A	32.6	Very low	43.7	Very low	59 Å²	59	126.6 Å²	126.6	49%	0.488	61%	0.61	S	S	.	*			trans	-135.3	92.7	173.4	0	0	0	0	0	108.7	Q9	A7-Q9 PolarHBondContact O-N 2.98Å
8	S	31.8	Very low	46.1	Very low	92 Å²	92	120.4 Å²	120.4	64%	0.643	58%	0.58	S	S	*	*			trans	-68.9	105.6	177.2	45.1	0	0	0	0	110.3	I10	S8-I10 PolarHBondContact O-N 3.05Å
9	Q	28.7	Very low	48.3	Very low	146 Å²	146	121.8 Å²	121.8	68%	0.682	58%	0.579	S	S	*	*			trans	-78.7	104.2	177.1	-62.7	-171.1	24.3	0	0	110.5	A7 R14	A7-Q9 PolarHBondContact O-N 2.98Å; Q9-R14 VanDerWaalsContact CD-NH2 3.31Å
10	I	28.5	Very low	50.1	Low	120 Å²	120	116 Å²	116	62%	0.615	55%	0.551	S	S	*	*			trans	-116.7	160.6	161	-61.8	-178.2	0	0	0	107.7	S8	S8-I10 PolarHBondContact O-N 3.05Å
11	L	30.9	Very low	51.7	Low	135 Å²	135	115.3 Å²	115.3	71%	0.707	55%	0.55	S	S	*	*	S	Bend	trans	-81.8	154.9	-161.1	-66.1	89.3	0	0	0	114.6	E13	L11-E13 VanDerWaalsContact C-N 3.27Å; L11-E13 PolarHBondContact O-N 2.94Å
12	N	38.8	Very low	53.7	Low	136 Å²	136	106.8 Å²	106.8	73%	0.727	51%	0.508	S	S	*	.	S	Bend	trans	67.6	-29.4	164.1	-63.9	7	0	0	0	118.9	P96	N12-P96 VanDerWaalsContact O-CD 3.27Å; N12-P96 WeakPolarHBondContact O-CD 3.33Å; N12-P96 VanDerWaalsContact O-CG 3.26Å; N12-P96 WeakPolarHBondContact O-CG 3.27Å
13	E	52.8	Low	55.8	Low	86 Å²	86	105.1 Å²	105.1	40%	0.402	50%	0.504	S	S	.	.	S	Bend	trans	-133.8	124.5	160.1	-70	-172.5	154.2	0	0	107.8	L11 E15 R93	L11-E13 VanDerWaalsContact C-N 3.27Å; L11-E13 PolarHBondContact O-N 2.94Å; E13-E15 PolarHBondContact O-N 2.9Å; E13-R93 HydrophobicContact CB-CG 4.35Å; E13-R93 VanDerWaalsContact CD-NH1 3.27Å; E13-R93 IonicContact OE1-CZ 2.64Å; E13-R93 IonicContact OE1-NH1 2.76Å; E13-R93 PolarHBondContact OE1-NH1 3.12Å; E13-R93 WeakPolarHBondContact OE2-CD 3.25Å; E13-R93 IonicContact OE2-CZ 2.73Å; E13-R93 IonicContact OE2-NE 3.5Å; E13-R93 IonicContact OE2-NH1 3.52Å; E13-R93 PolarHBondContact OE2-NH1 2.91Å
14	R	67.4	Low	57.7	Low	125 Å²	125	101.3 Å²	101.3	47%	0.472	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	83.1	-177.5	-80.7	-173.6	175.1	-169.8	-2.7	109.7	Q9 F16 R94	Q9-R14 VanDerWaalsContact CD-NH2 3.31Å; R14-F16 WeakPolarHBondContact O-CD1 3.35Å; R14-R94 HydrophobicContact CB-CB 4.15Å; R14-R94 PolarHBondContact N-O 2.94Å; R14-R94 PolarHBondContact O-N 3.38Å
15	E	85.1	Confident	59.6	Low	108 Å²	108	99.9 Å²	99.9	51%	0.505	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.8	163.9	-63.3	-171.6	170	0	0	110.2	E13 L62 I92 R93	E13-E15 PolarHBondContact O-N 2.9Å; E15-L62 HydrophobicContact CG-CD1 3.98Å; E15-L62 WeakPolarHBondContact OE1-CD1 3.15Å; E15-I92 CarbonylContact C-O 3.48Å; E15-I92 VanDerWaalsContact CA-O 3.25Å; E15-I92 WeakPolarHBondContact CA-O 3.37Å; E15-R93 HydrophobicContact CG-CB 4Å; E15-R93 HydrophobicContact CG-CG 3.88Å
16	F	83.4	Confident	61.4	Low	42 Å²	42	100.3 Å²	100.3	18%	0.184	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	151.5	176.5	63.8	-86.5	0	0	0	113.1	R14 L18 I92 R94	R14-F16 WeakPolarHBondContact O-CD1 3.35Å; F16-L18 HydrophobicContact CD2-CB 4.16Å; F16-L18 HydrophobicContact CE2-CB 3.98Å; F16-L18 PolarHBondContact O-N 3.1Å; F16-I92 HydrophobicContact CE1-CB 4.13Å; F16-I92 HydrophobicContact CE1-CG2 3.75Å; F16-I92 HydrophobicContact CE2-CB 4.11Å; F16-I92 HydrophobicContact CE2-CD1 4.07Å; F16-I92 HydrophobicContact CE2-CG2 4.34Å; F16-I92 HydrophobicContact CZ-CB 3.9Å; F16-I92 HydrophobicContact CZ-CD1 4.21Å; F16-I92 HydrophobicContact CZ-CG2 3.63Å; F16-I92 PolarHBondContact N-O 2.9Å; F16-I92 PolarHBondContact O-N 3.24Å; F16-R94 HydrophobicContact CE1-CB 4.09Å
17	D	85.2	Confident	63.4	Low	60 Å²	60	95.2 Å²	95.2	32%	0.321	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	89.9	-176.3	-157.2	62.9	0	0	0	109.4	R19 R89	D17-R19 IonicContact OD2-CZ 3.09Å; D17-R19 VanDerWaalsContact OD2-CZ 3.3Å; D17-R19 IonicContact OD2-NE 3.63Å; D17-R19 PolarHBondContact OD2-NE 3.38Å; D17-R19 IonicContact OD2-NH2 2.97Å; D17-R19 PolarHBondContact OD2-NH2 2.94Å; D17-R89 VanDerWaalsContact CG-NE 3.29Å; D17-R89 IonicContact OD1-CZ 3.32Å; D17-R89 IonicContact OD1-NE 3.52Å; D17-R89 PolarHBondContact OD1-NE 2.62Å; D17-R89 IonicContact OD1-NH2 3.38Å; D17-R89 PolarHBondContact OD1-NH2 3.24Å; D17-R89 IonicContact OD2-CZ 3.88Å; D17-R89 IonicContact OD2-NE 3.24Å; D17-R89 PolarHBondContact OD2-NE 2.88Å
18	L	87.1	Confident	65.8	Low	14 Å²	14	95.5 Å²	95.5	7%	0.073	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.4	-179.3	-174.3	61.3	0	0	0	110.7	F16 L20 W54 L55 R89 L90 I92	F16-L18 HydrophobicContact CD2-CB 4.16Å; F16-L18 HydrophobicContact CE2-CB 3.98Å; F16-L18 PolarHBondContact O-N 3.1Å; L18-L20 HydrophobicContact CD1-CD2 4.2Å; L18-L20 HydrophobicContact CD2-CD1 4.37Å; L18-L20 HydrophobicContact CD2-CD2 4.01Å; L18-L20 HydrophobicContact CD2-CG 4.21Å; L18-L20 HydrophobicContact CG-CD2 3.99Å; L18-L20 HydrophobicContact CG-CG 4.11Å; L18-W54 HydrophobicContact CD1-CB 3.88Å; L18-W54 HydrophobicContact CD1-CG 4.32Å; L18-W54 HydrophobicContact CD2-CB 4.24Å; L18-L55 HydrophobicContact CD2-CB 4.43Å; L18-L55 HydrophobicContact CD2-CD1 3.76Å; L18-L55 HydrophobicContact CD2-CG 3.79Å; L18-R89 CarbonylContact O-C 3.6Å; L18-R89 WeakPolarHBondContact O-CA 3.21Å; L18-L90 HydrophobicContact CB-CB 4.45Å; L18-L90 PolarHBondContact N-O 3.28Å; L18-L90 PolarHBondContact O-N 2.97Å; L18-I92 HydrophobicContact CB-CD1 3.82Å; L18-I92 HydrophobicContact CD2-CD1 3.58Å; L18-I92 HydrophobicContact CG-CD1 4.36Å
19	R	86.9	Confident	68.4	Low	147 Å²	147	91.6 Å²	91.6	56%	0.555	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	107.5	-178.5	-62.1	-179.9	-176.9	-158.7	1.2	109.5	D17 Y87 R89	D17-R19 IonicContact OD2-CZ 3.09Å; D17-R19 VanDerWaalsContact OD2-CZ 3.3Å; D17-R19 IonicContact OD2-NE 3.63Å; D17-R19 PolarHBondContact OD2-NE 3.38Å; D17-R19 IonicContact OD2-NH2 2.97Å; D17-R19 PolarHBondContact OD2-NH2 2.94Å; R19-Y87 HydrophobicContact CB-CE2 4.09Å; R19-Y87 WeakPolarHBondContact CD-OH 3.43Å; R19-Y87 WeakPolarHBondContact CG-OH 3.48Å; R19-R89 HydrophobicContact CG-CG 4.38Å
20	L	85.5	Confident	71.2	Confident	5 Å²	5	85 Å²	85	3%	0.026	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147.9	-176.2	-59.7	175.6	0	0	0	110.4	L18 W29 F31 A51 L55 Y87 L88 L90	L18-L20 HydrophobicContact CD1-CD2 4.2Å; L18-L20 HydrophobicContact CD2-CD1 4.37Å; L18-L20 HydrophobicContact CD2-CD2 4.01Å; L18-L20 HydrophobicContact CD2-CG 4.21Å; L18-L20 HydrophobicContact CG-CD2 3.99Å; L18-L20 HydrophobicContact CG-CG 4.11Å; L20-W29 HydrophobicContact CB-CE3 4.22Å; L20-W29 HydrophobicContact CB-CH2 4.1Å; L20-W29 HydrophobicContact CB-CZ3 3.6Å; L20-W29 HydrophobicContact CD1-CE3 4.48Å; L20-F31 HydrophobicContact CD1-CE1 3.66Å; L20-F31 HydrophobicContact CD1-CZ 4.29Å; L20-A51 HydrophobicContact CD1-CB 3.68Å; L20-A51 HydrophobicContact CD2-CB 3.85Å; L20-A51 HydrophobicContact CG-CB 4.44Å; L20-L55 HydrophobicContact CD1-CD1 4.43Å; L20-Y87 WeakPolarHBondContact O-CA 3.36Å; L20-L88 HydrophobicContact CB-CB 4.5Å; L20-L88 PolarHBondContact N-O 2.6Å; L20-L88 PolarHBondContact O-N 3.27Å; L20-L90 HydrophobicContact CD1-CD1 4.13Å
21	L	82.4	Confident	74.1	Confident	103 Å²	103	79.9 Å²	79.9	54%	0.539	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	122.5	178.9	-159.9	163	0	0	0	108.2	N86	L21-N86 CarbonylContact C-O 3.47Å; L21-N86 VanDerWaalsContact CA-O 3.31Å; L21-N86 WeakPolarHBondContact CA-O 3.38Å
22	R	77.3	Confident	77	Confident	15 Å²	15	79.4 Å²	79.4	6%	0.057	37%	0.372	C	S	.	.			trans	-107.3	146.8	176.7	71.4	172.7	-170	-174.5	-1.8	111	G24 R25 Q27 W29 P50 S85 N86	R22-G24 PolarHBondContact NE-O 3.17Å; R22-R25 VanDerWaalsContact NH2-C 3.32Å; R22-R25 PolarHBondContact NH2-O 3Å; R22-Q27 WeakPolarHBondContact CD-O 3.32Å; R22-Q27 PolarHBondContact NH1-O 3.37Å; R22-W29 HydrophobicContact CB-CE3 4.15Å; R22-W29 HydrophobicContact CB-CH2 3.92Å; R22-W29 HydrophobicContact CB-CZ3 3.67Å; R22-W29 HydrophobicContact CG-CE3 4.45Å; R22-W29 HydrophobicContact CG-CH2 3.79Å; R22-W29 HydrophobicContact CG-CZ2 4Å; R22-W29 HydrophobicContact CG-CZ3 4.02Å; R22-P50 HydrophobicContact CB-CG 4.23Å; R22-S85 VanDerWaalsContact CZ-O 3.28Å; R22-S85 PolarHBondContact NE-O 2.77Å; R22-S85 VanDerWaalsContact NH2-CA 3.3Å; R22-S85 PolarHBondContact NH2-O 2.91Å; R22-N86 PolarHBondContact N-O 3.32Å
23	L	71.3	Confident	79.5	Confident	141 Å²	141	73 Å²	73	74%	0.738	34%	0.338	S	S	*	.	S	Bend	trans	-85.8	-5.5	-170.4	-61.9	172.3	0	0	0	114.4	M1	M1-L23 HydrophobicContact CE-CD1 4.12Å; M1-L23 HydrophobicContact CE-CD2 4.42Å
24	G	68.3	Low	81.3	Confident	29 Å²	29	71.7 Å²	71.7	30%	0.299	33%	0.333	S	S	.	.	S	Bend	trans	-155.8	140.4	-178.8	0	0	0	0	0	113.6	R22 F26 Q27	R22-G24 PolarHBondContact NE-O 3.17Å; G24-F26 PolarHBondContact O-N 3.41Å; G24-Q27 PolarHBondContact O-N 3.09Å
25	R	66.9	Low	82.2	Confident	152 Å²	152	68.5 Å²	68.5	57%	0.574	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-9	-172.5	-76.8	-157.6	173.6	-166.8	2.5	116.4	R22 S85	R22-R25 VanDerWaalsContact NH2-C 3.32Å; R22-R25 PolarHBondContact NH2-O 3Å; R25-S85 PolarHBondContact NE-OG 3.26Å
26	F	68.4	Low	82.3	Confident	197 Å²	197	67.6 Å²	67.6	86%	0.864	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-4.9	-176.3	-58.7	-71.3	0	0	0	114.2	G24 P28	G24-F26 PolarHBondContact O-N 3.41Å; F26-P28 WeakPolarHBondContact O-CD 3.42Å
27	Q	72.6	Confident	82.3	Confident	87 Å²	87	74.2 Å²	74.2	41%	0.407	35%	0.353	S	S	.	.	S	Bend	trans	-81.5	115.9	176.3	-173.5	178.7	4.1	0	0	109.2	R22 G24	R22-Q27 WeakPolarHBondContact CD-O 3.32Å; R22-Q27 PolarHBondContact NH1-O 3.37Å; G24-Q27 PolarHBondContact O-N 3.09Å
28	P	83.1	Confident	82.2	Confident	66 Å²	66	73.2 Å²	73.2	43%	0.429	36%	0.357	S	S	.	.			trans	-57.5	155.3	177.8	23.8	-33.6	0	0	0	111.2	F26 G30 W48	F26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-G30 PolarHBondContact O-N 3.12Å; P28-W48 HydrophobicContact CB-CH2 4.46Å; P28-W48 HydrophobicContact CG-CH2 3.82Å; P28-W48 HydrophobicContact CG-CZ3 4.1Å; P28-W48 WeakPolarHBondContact O-CZ3 3.3Å
29	W	86.2	Confident	82.2	Confident	9 Å²	9	77.2 Å²	77.2	3%	0.034	37%	0.371	C	S	.	.			trans	-68	-19.6	-178	-75.3	111.8	0	0	0	113.8	L20 R22 F31 S49 P50 A81 K84 L88	L20-W29 HydrophobicContact CB-CE3 4.22Å; L20-W29 HydrophobicContact CB-CH2 4.1Å; L20-W29 HydrophobicContact CB-CZ3 3.6Å; L20-W29 HydrophobicContact CD1-CE3 4.48Å; R22-W29 HydrophobicContact CB-CE3 4.15Å; R22-W29 HydrophobicContact CB-CH2 3.92Å; R22-W29 HydrophobicContact CB-CZ3 3.67Å; R22-W29 HydrophobicContact CG-CE3 4.45Å; R22-W29 HydrophobicContact CG-CH2 3.79Å; R22-W29 HydrophobicContact CG-CZ2 4Å; R22-W29 HydrophobicContact CG-CZ3 4.02Å; W29-F31 HydrophobicContact CB-CD1 4.18Å; W29-F31 HydrophobicContact CB-CE1 3.55Å; W29-F31 HydrophobicContact CB-CE2 4.2Å; W29-F31 HydrophobicContact CB-CZ 3.55Å; W29-F31 HydrophobicContact CG-CE1 4.27Å; W29-F31 HydrophobicContact CG-CZ 4.04Å; W29-S49 WeakPolarHBondContact O-CB 3.46Å; W29-S49 PolarHBondContact O-OG 3.34Å; W29-P50 HydrophobicContact CE3-CG 4.25Å; W29-P50 HydrophobicContact CZ3-CB 4.43Å; W29-P50 HydrophobicContact CZ3-CG 4.38Å; W29-A81 VanDerWaalsContact CD1-O 3.31Å; W29-A81 PolarHBondContact NE1-O 3.05Å; W29-K84 WeakPolarHBondContact CZ2-O 3.46Å; W29-L88 HydrophobicContact CD2-CD2 4.24Å; W29-L88 HydrophobicContact CG-CD2 4.35Å; W29-L88 HydrophobicContact CH2-CB 3.89Å; W29-L88 HydrophobicContact CZ2-CB 3.5Å; W29-L88 VanDerWaalsContact CZ2-CB 3.5Å; W29-L88 HydrophobicContact CZ2-CD2 4.46Å
30	G	86.7	Confident	82.3	Confident	7 Å²	7	70.3 Å²	70.3	7%	0.072	35%	0.345	C	S	.	.			trans	75.4	33.1	173.2	0	0	0	0	0	114.6	P28 Y46 S49	P28-G30 PolarHBondContact O-N 3.12Å; G30-Y46 WeakPolarHBondContact O-CD2 3.39Å; G30-Y46 PolarHBondContact O-N 2.58Å; G30-S49 VanDerWaalsContact O-CB 3.31Å; G30-S49 WeakPolarHBondContact O-CB 3.44Å
31	F	90.5	Very high	82.5	Confident	14 Å²	14	72.7 Å²	72.7	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	163.7	164.6	49	-106.5	0	0	0	110.2	L20 W29 F33 E44 V45 A51 L55 L88 L90	L20-F31 HydrophobicContact CD1-CE1 3.66Å; L20-F31 HydrophobicContact CD1-CZ 4.29Å; W29-F31 HydrophobicContact CB-CD1 4.18Å; W29-F31 HydrophobicContact CB-CE1 3.55Å; W29-F31 HydrophobicContact CB-CE2 4.2Å; W29-F31 HydrophobicContact CB-CZ 3.55Å; W29-F31 HydrophobicContact CG-CE1 4.27Å; W29-F31 HydrophobicContact CG-CZ 4.04Å; F31-F33 AromaticContact CD2-CE1 3.86Å; F31-F33 HydrophobicContact CD2-CE1 3.86Å; F31-F33 HydrophobicContact CD2-CE2 4.2Å; F31-F33 AromaticContact CD2-CZ 3.69Å; F31-F33 HydrophobicContact CD2-CZ 3.69Å; F31-F33 AromaticContact CE2-CE1 3.94Å; F31-F33 HydrophobicContact CE2-CE1 3.94Å; F31-F33 AromaticContact CE2-CE2 3.74Å; F31-F33 HydrophobicContact CE2-CE2 3.74Å; F31-F33 AromaticContact CE2-CZ 3.29Å; F31-F33 HydrophobicContact CE2-CZ 3.29Å; F31-F33 HydrophobicContact CZ-CZ 4.23Å; F31-E44 CarbonylContact C-O 3.57Å; F31-E44 WeakPolarHBondContact CA-O 3.07Å; F31-E44 WeakPolarHBondContact CB-O 3.33Å; F31-V45 HydrophobicContact CB-CG2 4.22Å; F31-A51 HydrophobicContact CD1-CB 3.76Å; F31-A51 HydrophobicContact CE1-CB 4.02Å; F31-L55 HydrophobicContact CD1-CD1 4.01Å; F31-L55 HydrophobicContact CE1-CD1 4.2Å; F31-L55 HydrophobicContact CG-CD1 4.46Å; F31-L88 HydrophobicContact CZ-CD2 3.76Å; F31-L90 HydrophobicContact CZ-CD1 4.19Å
32	R	90.7	Very high	83	Confident	124 Å²	124	67.9 Å²	67.9	47%	0.468	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148.9	170.4	-67.3	-167.9	-167.7	-107	-0.6	111.8	T43 E44	R32-T43 WeakPolarHBondContact CB-OG1 3.2Å; R32-T43 PolarHBondContact O-N 3.08Å; R32-T43 VanDerWaalsContact O-N 3.1Å; R32-T43 PolarHBondContact O-OG1 2.83Å; R32-E44 HydrophobicContact CB-CB 4.09Å; R32-E44 HydrophobicContact CB-CG 4.42Å; R32-E44 WeakPolarHBondContact CD-OE2 3.04Å; R32-E44 HydrophobicContact CG-CB 4.21Å; R32-E44 HydrophobicContact CG-CG 4.45Å; R32-E44 WeakPolarHBondContact CG-OE2 2.99Å; R32-E44 IonicContact CZ-OE2 3.3Å; R32-E44 PolarHBondContact N-O 2.9Å; R32-E44 IonicContact NE-OE1 2.83Å; R32-E44 IonicContact NE-OE2 2.77Å; R32-E44 PolarHBondContact NE-OE2 3.25Å
33	F	91	Very high	83.6	Confident	2 Å²	2	70 Å²	70	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	160	167.5	-56.1	-50.6	0	0	0	110.6	F31 L40 W41 V42 V61 I64 S77 H78 L90	F31-F33 AromaticContact CD2-CE1 3.86Å; F31-F33 HydrophobicContact CD2-CE1 3.86Å; F31-F33 HydrophobicContact CD2-CE2 4.2Å; F31-F33 AromaticContact CD2-CZ 3.69Å; F31-F33 HydrophobicContact CD2-CZ 3.69Å; F31-F33 AromaticContact CE2-CE1 3.94Å; F31-F33 HydrophobicContact CE2-CE1 3.94Å; F31-F33 AromaticContact CE2-CE2 3.74Å; F31-F33 HydrophobicContact CE2-CE2 3.74Å; F31-F33 AromaticContact CE2-CZ 3.29Å; F31-F33 HydrophobicContact CE2-CZ 3.29Å; F31-F33 HydrophobicContact CZ-CZ 4.23Å; F33-L40 HydrophobicContact CB-CD1 4.5Å; F33-L40 HydrophobicContact CB-CD2 3.85Å; F33-L40 HydrophobicContact CB-CG 4.03Å; F33-L40 HydrophobicContact CD1-CD2 4.09Å; F33-L40 HydrophobicContact CD2-CD2 3.98Å; F33-L40 HydrophobicContact CG-CD2 3.71Å; F33-L40 HydrophobicContact CG-CG 4.4Å; F33-W41 CarbonylContact C-O 3.59Å; F33-W41 WeakPolarHBondContact CA-O 3.25Å; F33-V42 HydrophobicContact CD1-CG2 4.29Å; F33-V42 HydrophobicContact CE1-CG2 4.31Å; F33-V61 HydrophobicContact CD1-CG2 3.98Å; F33-V61 HydrophobicContact CE1-CG2 3.7Å; F33-I64 HydrophobicContact CD2-CD1 4.37Å; F33-I64 HydrophobicContact CE2-CD1 3.81Å; F33-I64 HydrophobicContact CZ-CD1 4.22Å; F33-S77 WeakPolarHBondContact CD2-OG 3.41Å; F33-H78 PolarHBondContact N-NE2 3.02Å; F33-L90 HydrophobicContact CZ-CD1 4.4Å; F33-L90 HydrophobicContact CZ-CD2 4.23Å
34	N	90.6	Very high	84.6	Confident	58 Å²	58	66.6 Å²	66.6	31%	0.31	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.9	165.6	179.7	-96.8	0	0	0	110	W41 T43 E74	N34-W41 PolarHBondContact N-O 2.88Å; N34-W41 PolarHBondContact O-N 3.43Å; N34-T43 HydrophobicContact CB-CG2 3.42Å; N34-T43 VanDerWaalsContact CB-CG2 3.42Å; N34-E74 VanDerWaalsContact CA-OE2 3.22Å; N34-E74 WeakPolarHBondContact CA-OE2 3.37Å; N34-E74 PolarHBondContact ND2-OE2 3.12Å
35	K	88	Confident	85.7	Confident	58 Å²	58	66.1 Å²	66.1	25%	0.252	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.2	176.6	-167.4	162.4	-171.3	166.9	0	111.8	G38 R39 L40 T70 L72 E74	K35-G38 WeakPolarHBondContact CE-O 3.38Å; K35-R39 CarbonylContact C-O 3.57Å; K35-R39 WeakPolarHBondContact CA-O 3.03Å; K35-L40 HydrophobicContact CB-CD1 4.06Å; K35-L40 HydrophobicContact CD-CD1 4.41Å; K35-L40 HydrophobicContact CG-CD1 4.39Å; K35-T70 PolarHBondContact NZ-O 3.3Å; K35-L72 VanDerWaalsContact CD-O 3.23Å; K35-L72 WeakPolarHBondContact CD-O 3.09Å; K35-L72 WeakPolarHBondContact CE-O 3.35Å; K35-L72 PolarHBondContact NZ-O 3.15Å; K35-E74 HydrophobicContact CB-CB 4.28Å; K35-E74 PolarHBondContact N-OE2 3.07Å
36	N	85.5	Confident	86.7	Confident	90 Å²	90	62.6 Å²	62.6	48%	0.481	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134	178.2	-165.5	-1.3	0	0	0	111.3	G38 R39 W41	N36-G38 PolarHBondContact O-N 3.17Å; N36-G38 VanDerWaalsContact O-N 3.17Å; N36-R39 PolarHBondContact N-O 2.9Å; N36-R39 PolarHBondContact O-N 3.2Å; N36-R39 VanDerWaalsContact O-O 3.09Å; N36-W41 PolarHBondContact O-NE1 3.07Å
37	Q	83.5	Confident	87.6	Confident	181 Å²	181	57.9 Å²	57.9	85%	0.846	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	37.7	-176	-62.6	-177.3	-1.7	0	0	114.2	R39	Q37-R39 PolarHBondContact O-N 3.05Å
38	G	82.9	Confident	88.1	Confident	39 Å²	39	59.9 Å²	59.9	40%	0.402	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	0.1	-179.3	0	0	0	0	0	115.1	K35 N36 T70	K35-G38 WeakPolarHBondContact CE-O 3.38Å; N36-G38 PolarHBondContact O-N 3.17Å; N36-G38 VanDerWaalsContact O-N 3.17Å; G38-T70 WeakPolarHBondContact O-CA 3.36Å
39	R	87	Confident	88.3	Confident	98 Å²	98	57.2 Å²	57.2	37%	0.37	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	150.3	176.4	-63.8	162.3	175.8	-126.6	15.5	110.4	K35 N36 Q37 W41 E60	K35-R39 CarbonylContact C-O 3.57Å; K35-R39 WeakPolarHBondContact CA-O 3.03Å; N36-R39 PolarHBondContact N-O 2.9Å; N36-R39 PolarHBondContact O-N 3.2Å; N36-R39 VanDerWaalsContact O-O 3.09Å; Q37-R39 PolarHBondContact O-N 3.05Å; R39-W41 HydrophobicContact CB-CZ2 4.11Å; R39-E60 WeakPolarHBondContact CD-OE1 3.27Å; R39-E60 VanDerWaalsContact CG-OE1 3.29Å; R39-E60 WeakPolarHBondContact CG-OE1 3.49Å; R39-E60 IonicContact CZ-OE1 3.59Å; R39-E60 IonicContact NE-OE1 3.64Å; R39-E60 IonicContact NH1-OE1 3.53Å; R39-E60 PolarHBondContact NH1-OE1 2.87Å; R39-E60 IonicContact NH1-OE2 2.81Å; R39-E60 PolarHBondContact NH1-OE2 3.4Å
40	L	89.5	Confident	88.2	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.4	179.1	-151.2	89.9	0	0	0	109.6	F33 K35 E60 V61 I64	F33-L40 HydrophobicContact CB-CD1 4.5Å; F33-L40 HydrophobicContact CB-CD2 3.85Å; F33-L40 HydrophobicContact CB-CG 4.03Å; F33-L40 HydrophobicContact CD1-CD2 4.09Å; F33-L40 HydrophobicContact CD2-CD2 3.98Å; F33-L40 HydrophobicContact CG-CD2 3.71Å; F33-L40 HydrophobicContact CG-CG 4.4Å; K35-L40 HydrophobicContact CB-CD1 4.06Å; K35-L40 HydrophobicContact CD-CD1 4.41Å; K35-L40 HydrophobicContact CG-CD1 4.39Å; L40-E60 CarbonylContact O-C 3.59Å; L40-E60 WeakPolarHBondContact O-CA 3.38Å; L40-V61 HydrophobicContact CB-CB 4.28Å; L40-V61 HydrophobicContact CD2-CB 4.02Å; L40-V61 HydrophobicContact CD2-CG1 4.32Å; L40-V61 HydrophobicContact CD2-CG2 4.45Å; L40-V61 PolarHBondContact O-N 3.44Å; L40-I64 HydrophobicContact CD2-CD1 3.92Å
41	W	91.1	Very high	88.1	Confident	56 Å²	56	58.3 Å²	58.3	21%	0.212	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.4	-174.7	-58.5	93.8	0	0	0	111.5	F33 N34 N36 R39 D59 E60 L95	F33-W41 CarbonylContact C-O 3.59Å; F33-W41 WeakPolarHBondContact CA-O 3.25Å; N34-W41 PolarHBondContact N-O 2.88Å; N34-W41 PolarHBondContact O-N 3.43Å; N36-W41 PolarHBondContact O-NE1 3.07Å; R39-W41 HydrophobicContact CB-CZ2 4.11Å; W41-D59 CarbonylContact C-O 3.54Å; W41-D59 WeakPolarHBondContact CA-O 3.35Å; W41-E60 HydrophobicContact CE3-CB 3.85Å; W41-E60 HydrophobicContact CE3-CG 4.32Å; W41-E60 HydrophobicContact CH2-CB 4.17Å; W41-E60 HydrophobicContact CH2-CG 4.22Å; W41-E60 HydrophobicContact CZ2-CG 4.48Å; W41-E60 HydrophobicContact CZ3-CB 3.65Å; W41-E60 HydrophobicContact CZ3-CG 4.15Å; W41-L95 HydrophobicContact CH2-CD1 3.92Å; W41-L95 HydrophobicContact CZ3-CD1 3.85Å; W41-L95 HydrophobicContact CZ3-CG 4.49Å
42	V	91.4	Very high	87.9	Confident	2 Å²	2	63 Å²	63	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.3	176.6	177.2	0	0	0	0	109.6	F33 V45 L55 E56 G58 D59 V61	F33-V42 HydrophobicContact CD1-CG2 4.29Å; F33-V42 HydrophobicContact CE1-CG2 4.31Å; V42-V45 HydrophobicContact CG1-CG2 3.59Å; V42-L55 HydrophobicContact CB-CD2 4.09Å; V42-L55 HydrophobicContact CG1-CD2 3.77Å; V42-L55 HydrophobicContact CG2-CD2 3.31Å; V42-E56 WeakPolarHBondContact CG1-O 3.31Å; V42-G58 PolarHBondContact O-N 2.87Å; V42-D59 HydrophobicContact CB-CB 4.17Å; V42-D59 HydrophobicContact CG2-CB 3.85Å; V42-D59 WeakPolarHBondContact CG2-O 3.35Å; V42-D59 PolarHBondContact N-O 3.35Å; V42-V61 HydrophobicContact CG2-CG2 3.86Å
43	T	90.8	Very high	87.5	Confident	58 Å²	58	59.7 Å²	59.7	36%	0.356	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-35.6	-177.4	43.6	0	0	0	0	113.8	R32 N34 I57	R32-T43 WeakPolarHBondContact CB-OG1 3.2Å; R32-T43 PolarHBondContact O-N 3.08Å; R32-T43 VanDerWaalsContact O-N 3.1Å; R32-T43 PolarHBondContact O-OG1 2.83Å; N34-T43 HydrophobicContact CB-CG2 3.42Å; N34-T43 VanDerWaalsContact CB-CG2 3.42Å; T43-I57 WeakPolarHBondContact O-CG2 3.13Å
44	E	91.5	Very high	87.2	Confident	71 Å²	71	63.2 Å²	63.2	33%	0.332	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.7	179.7	-61.8	-177	166.8	0	0	110.2	F31 R32 Y46	F31-E44 CarbonylContact C-O 3.57Å; F31-E44 WeakPolarHBondContact CA-O 3.07Å; F31-E44 WeakPolarHBondContact CB-O 3.33Å; R32-E44 HydrophobicContact CB-CB 4.09Å; R32-E44 HydrophobicContact CB-CG 4.42Å; R32-E44 WeakPolarHBondContact CD-OE2 3.04Å; R32-E44 HydrophobicContact CG-CB 4.21Å; R32-E44 HydrophobicContact CG-CG 4.45Å; R32-E44 WeakPolarHBondContact CG-OE2 2.99Å; R32-E44 IonicContact CZ-OE2 3.3Å; R32-E44 PolarHBondContact N-O 2.9Å; R32-E44 IonicContact NE-OE1 2.83Å; R32-E44 IonicContact NE-OE2 2.77Å; R32-E44 PolarHBondContact NE-OE2 3.25Å; E44-Y46 HydrophobicContact CB-CE2 4.23Å; E44-Y46 VanDerWaalsContact OE2-CE2 3.3Å; E44-Y46 WeakPolarHBondContact OE2-CE2 3.19Å; E44-Y46 VanDerWaalsContact OE2-CZ 3.23Å; E44-Y46 PolarHBondContact OE2-OH 2.87Å
45	V	91.5	Very high	87.1	Confident	19 Å²	19	60.7 Å²	60.7	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	112	166.6	-170.4	0	0	0	0	107.9	F31 V42 F52 L55	F31-V45 HydrophobicContact CB-CG2 4.22Å; V42-V45 HydrophobicContact CG1-CG2 3.59Å; V45-F52 HydrophobicContact CG1-CB 4.41Å; V45-F52 HydrophobicContact CG1-CD2 4.21Å; V45-L55 HydrophobicContact CG1-CB 4.43Å; V45-L55 HydrophobicContact CG2-CB 4.14Å
46	Y	89.2	Confident	87	Confident	77 Å²	77	61.8 Å²	61.8	30%	0.302	32%	0.316	S	S	.	.			trans	-77.6	144.2	-174.2	-70.3	-90.2	0	0	0	111.4	G30 E44 W48 S49	G30-Y46 WeakPolarHBondContact O-CD2 3.39Å; G30-Y46 PolarHBondContact O-N 2.58Å; E44-Y46 HydrophobicContact CB-CE2 4.23Å; E44-Y46 VanDerWaalsContact OE2-CE2 3.3Å; E44-Y46 WeakPolarHBondContact OE2-CE2 3.19Å; E44-Y46 VanDerWaalsContact OE2-CZ 3.23Å; E44-Y46 PolarHBondContact OE2-OH 2.87Å; Y46-W48 HydrophobicContact CD1-CZ2 4.21Å; Y46-W48 HydrophobicContact CD2-CZ2 4.16Å; Y46-W48 AromaticContact CG-CE2 3.99Å; Y46-W48 AromaticContact CG-CZ2 3.77Å; Y46-W48 HydrophobicContact CG-CZ2 3.77Å; Y46-W48 PolarHBondContact O-N 3.03Å; Y46-S49 WeakPolarHBondContact O-CB 3.4Å; Y46-S49 PolarHBondContact O-N 3.03Å
47	P	85.7	Confident	87.1	Confident	99 Å²	99	62.9 Å²	62.9	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.9	-176.7	-28.4	36.4	0	0	0	116.4	F52	P47-F52 HydrophobicContact CB-CE2 4.37Å; P47-F52 HydrophobicContact CB-CZ 4.36Å; P47-F52 HydrophobicContact CG-CE2 4.3Å
48	W	84.6	Confident	87.3	Confident	129 Å²	129	56.1 Å²	56.1	49%	0.489	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.3	176.8	51.6	-103.4	0	0	0	113.7	P28 Y46	P28-W48 HydrophobicContact CB-CH2 4.46Å; P28-W48 HydrophobicContact CG-CH2 3.82Å; P28-W48 HydrophobicContact CG-CZ3 4.1Å; P28-W48 WeakPolarHBondContact O-CZ3 3.3Å; Y46-W48 HydrophobicContact CD1-CZ2 4.21Å; Y46-W48 HydrophobicContact CD2-CZ2 4.16Å; Y46-W48 AromaticContact CG-CE2 3.99Å; Y46-W48 AromaticContact CG-CZ2 3.77Å; Y46-W48 HydrophobicContact CG-CZ2 3.77Å; Y46-W48 PolarHBondContact O-N 3.03Å
49	S	86.8	Confident	87.6	Confident	10 Å²	10	54.3 Å²	54.3	7%	0.07	28%	0.28	C	S	.	.	S	Bend	trans	-66.6	140.1	178.7	177.4	0	0	0	0	111.8	W29 G30 Y46 A51 F52	W29-S49 WeakPolarHBondContact O-CB 3.46Å; W29-S49 PolarHBondContact O-OG 3.34Å; G30-S49 VanDerWaalsContact O-CB 3.31Å; G30-S49 WeakPolarHBondContact O-CB 3.44Å; Y46-S49 WeakPolarHBondContact O-CB 3.4Å; Y46-S49 PolarHBondContact O-N 3.03Å; S49-A51 PolarHBondContact O-N 3.36Å; S49-A51 WeakPolarHBondContact OG-CB 3.45Å; S49-A51 PolarHBondContact OG-N 2.99Å; S49-F52 WeakPolarHBondContact O-CB 3.47Å; S49-F52 PolarHBondContact O-N 2.88Å; S49-F52 VanDerWaalsContact O-N 3.07Å
50	P	84	Confident	87.8	Confident	38 Å²	38	50 Å²	50	25%	0.247	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-19	165.1	-24	34.8	0	0	0	114	R22 W29	R22-P50 HydrophobicContact CB-CG 4.23Å; W29-P50 HydrophobicContact CE3-CG 4.25Å; W29-P50 HydrophobicContact CZ3-CB 4.43Å; W29-P50 HydrophobicContact CZ3-CG 4.38Å
51	A	85	Confident	87.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.5	179.7	0	0	0	0	0	114.2	L20 F31 S49 G53 W54 L55	L20-A51 HydrophobicContact CD1-CB 3.68Å; L20-A51 HydrophobicContact CD2-CB 3.85Å; L20-A51 HydrophobicContact CG-CB 4.44Å; F31-A51 HydrophobicContact CD1-CB 3.76Å; F31-A51 HydrophobicContact CE1-CB 4.02Å; S49-A51 PolarHBondContact O-N 3.36Å; S49-A51 WeakPolarHBondContact OG-CB 3.45Å; S49-A51 PolarHBondContact OG-N 2.99Å; A51-G53 PolarHBondContact O-N 3.11Å; A51-W54 WeakPolarHBondContact O-CB 3.38Å; A51-W54 PolarHBondContact O-N 2.96Å; A51-L55 HydrophobicContact CB-CB 3.97Å; A51-L55 HydrophobicContact CB-CD1 3.69Å; A51-L55 HydrophobicContact CB-CG 4.41Å; A51-L55 PolarHBondContact O-N 3.37Å
52	F	84.8	Confident	87.7	Confident	113 Å²	113	50 Å²	50	50%	0.496	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-61.7	131.4	-176.3	-172	-104.7	0	0	0	111.6	V45 P47 S49 W54	V45-F52 HydrophobicContact CG1-CB 4.41Å; V45-F52 HydrophobicContact CG1-CD2 4.21Å; P47-F52 HydrophobicContact CB-CE2 4.37Å; P47-F52 HydrophobicContact CB-CZ 4.36Å; P47-F52 HydrophobicContact CG-CE2 4.3Å; S49-F52 WeakPolarHBondContact O-CB 3.47Å; S49-F52 PolarHBondContact O-N 2.88Å; S49-F52 VanDerWaalsContact O-N 3.07Å; F52-W54 PolarHBondContact O-N 2.96Å
53	G	82.4	Confident	87.5	Confident	54 Å²	54	51.5 Å²	51.5	56%	0.557	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	0.5	-174.6	0	0	0	0	0	115.3	A51	A51-G53 PolarHBondContact O-N 3.11Å
54	W	86	Confident	87.4	Confident	77 Å²	77	48.8 Å²	48.8	29%	0.292	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-44.9	168.1	-62.9	100.3	0	0	0	111.3	R5 L18 A51 F52 R94	R5-W54 HydrophobicContact CB-CH2 4.03Å; R5-W54 HydrophobicContact CB-CZ3 4.45Å; R5-W54 HydrophobicContact CG-CH2 3.94Å; R5-W54 HydrophobicContact CG-CZ3 3.94Å; L18-W54 HydrophobicContact CD1-CB 3.88Å; L18-W54 HydrophobicContact CD1-CG 4.32Å; L18-W54 HydrophobicContact CD2-CB 4.24Å; A51-W54 WeakPolarHBondContact O-CB 3.38Å; A51-W54 PolarHBondContact O-N 2.96Å; F52-W54 PolarHBondContact O-N 2.96Å; W54-R94 PolarHBondContact O-NH2 3.47Å
55	L	87.4	Confident	87	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-95.9	132.5	177.2	-115.7	160.8	0	0	0	109.2	L18 L20 F31 V42 V45 A51 D59 L90 I92	L18-L55 HydrophobicContact CD2-CB 4.43Å; L18-L55 HydrophobicContact CD2-CD1 3.76Å; L18-L55 HydrophobicContact CD2-CG 3.79Å; L20-L55 HydrophobicContact CD1-CD1 4.43Å; F31-L55 HydrophobicContact CD1-CD1 4.01Å; F31-L55 HydrophobicContact CE1-CD1 4.2Å; F31-L55 HydrophobicContact CG-CD1 4.46Å; V42-L55 HydrophobicContact CB-CD2 4.09Å; V42-L55 HydrophobicContact CG1-CD2 3.77Å; V42-L55 HydrophobicContact CG2-CD2 3.31Å; V45-L55 HydrophobicContact CG1-CB 4.43Å; V45-L55 HydrophobicContact CG2-CB 4.14Å; A51-L55 HydrophobicContact CB-CB 3.97Å; A51-L55 HydrophobicContact CB-CD1 3.69Å; A51-L55 HydrophobicContact CB-CG 4.41Å; A51-L55 PolarHBondContact O-N 3.37Å; L55-D59 HydrophobicContact CD2-CB 4.3Å; L55-L90 HydrophobicContact CD1-CD1 3.78Å; L55-I92 HydrophobicContact CD1-CD1 4.15Å; L55-I92 HydrophobicContact CD2-CD1 3.86Å; L55-I92 HydrophobicContact CG-CD1 3.72Å
56	E	86.2	Confident	86.4	Confident	81 Å²	81	47.4 Å²	47.4	38%	0.379	26%	0.255	S	S	.	.			trans	-119.2	148.8	-179.5	-78.7	165.6	-156.2	0	0	110.7	V42 G58 D59 R94	V42-E56 WeakPolarHBondContact CG1-O 3.31Å; E56-G58 PolarHBondContact O-N 2.82Å; E56-D59 PolarHBondContact N-OD2 3.27Å; E56-D59 VanDerWaalsContact O-CB 3.27Å; E56-D59 WeakPolarHBondContact O-CB 3.11Å; E56-D59 PolarHBondContact O-N 3.18Å; E56-D59 VanDerWaalsContact O-N 3.12Å; E56-R94 IonicContact OE1-CZ 2.83Å; E56-R94 IonicContact OE1-NH1 3.94Å; E56-R94 PolarHBondContact OE1-NH1 3.42Å; E56-R94 WeakPolarHBondContact OE2-CD 3.31Å; E56-R94 IonicContact OE2-CZ 3.16Å; E56-R94 IonicContact OE2-NE 2.66Å; E56-R94 PolarHBondContact OE2-NE 3.22Å; E56-R94 IonicContact OE2-NH1 2.71Å; E56-R94 PolarHBondContact OE2-NH1 3.43Å
57	I	88	Confident	85.9	Confident	112 Å²	112	46 Å²	46	57%	0.574	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	130.5	176.8	-62.4	172.6	0	0	0	108.5	T43	T43-I57 WeakPolarHBondContact O-CG2 3.13Å
58	G	87.1	Confident	85.6	Confident	39 Å²	39	45.3 Å²	45.3	40%	0.402	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-0.1	-171.1	0	0	0	0	0	115.1	V42 E56	V42-G58 PolarHBondContact O-N 2.87Å; E56-G58 PolarHBondContact O-N 2.82Å
59	D	88.8	Confident	84.9	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.011	22%	0.218	C	C	.	.			trans	-61.9	138.8	164.1	-83.5	-22.6	0	0	0	110.8	W41 V42 L55 E56 I92 R94	W41-D59 CarbonylContact C-O 3.54Å; W41-D59 WeakPolarHBondContact CA-O 3.35Å; V42-D59 HydrophobicContact CB-CB 4.17Å; V42-D59 HydrophobicContact CG2-CB 3.85Å; V42-D59 WeakPolarHBondContact CG2-O 3.35Å; V42-D59 PolarHBondContact N-O 3.35Å; L55-D59 HydrophobicContact CD2-CB 4.3Å; E56-D59 PolarHBondContact N-OD2 3.27Å; E56-D59 VanDerWaalsContact O-CB 3.27Å; E56-D59 WeakPolarHBondContact O-CB 3.11Å; E56-D59 PolarHBondContact O-N 3.18Å; E56-D59 VanDerWaalsContact O-N 3.12Å; D59-I92 HydrophobicContact CB-CG2 3.76Å; D59-R94 WeakPolarHBondContact OD1-CA 3.27Å; D59-R94 WeakPolarHBondContact OD1-CB 3.26Å; D59-R94 VanDerWaalsContact OD1-CG 3.28Å; D59-R94 WeakPolarHBondContact OD1-CG 3.42Å; D59-R94 IonicContact OD1-CZ 3.95Å; D59-R94 IonicContact OD1-NE 3.17Å; D59-R94 PolarHBondContact OD1-NE 3.49Å; D59-R94 IonicContact OD1-NH2 3.96Å; D59-R94 PolarHBondContact OD1-NH2 2.81Å; D59-R94 IonicContact OD2-CZ 2.81Å; D59-R94 IonicContact OD2-NE 2.93Å; D59-R94 IonicContact OD2-NH2 2.81Å; D59-R94 PolarHBondContact OD2-NH2 3.24Å
60	E	90.9	Very high	84.3	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.8	171.8	-171.4	177.6	-160.2	0	0	109.6	R39 L40 W41 L62 I92 R93	R39-E60 WeakPolarHBondContact CD-OE1 3.27Å; R39-E60 VanDerWaalsContact CG-OE1 3.29Å; R39-E60 WeakPolarHBondContact CG-OE1 3.49Å; R39-E60 IonicContact CZ-OE1 3.59Å; R39-E60 IonicContact NE-OE1 3.64Å; R39-E60 IonicContact NH1-OE1 3.53Å; R39-E60 PolarHBondContact NH1-OE1 2.87Å; R39-E60 IonicContact NH1-OE2 2.81Å; R39-E60 PolarHBondContact NH1-OE2 3.4Å; L40-E60 CarbonylContact O-C 3.59Å; L40-E60 WeakPolarHBondContact O-CA 3.38Å; W41-E60 HydrophobicContact CE3-CB 3.85Å; W41-E60 HydrophobicContact CE3-CG 4.32Å; W41-E60 HydrophobicContact CH2-CB 4.17Å; W41-E60 HydrophobicContact CH2-CG 4.22Å; W41-E60 HydrophobicContact CZ2-CG 4.48Å; W41-E60 HydrophobicContact CZ3-CB 3.65Å; W41-E60 HydrophobicContact CZ3-CG 4.15Å; E60-L62 HydrophobicContact CG-CD2 4.37Å; E60-I92 CarbonylContact O-C 3.5Å; E60-I92 WeakPolarHBondContact O-CA 3.28Å; E60-R93 HydrophobicContact CB-CB 4.31Å; E60-R93 PolarHBondContact N-O 3.02Å; E60-R93 PolarHBondContact O-N 2.81Å; E60-R93 IonicContact OE1-NH2 3.82Å; E60-R93 IonicContact OE2-CZ 3.88Å; E60-R93 IonicContact OE2-NE 3.18Å; E60-R93 PolarHBondContact OE2-NE 3.23Å; E60-R93 IonicContact OE2-NH2 2.7Å; E60-R93 PolarHBondContact OE2-NH2 3.35Å
61	V	91	Very high	84.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105.7	177.8	-174.5	0	0	0	0	109.1	F33 L40 V42 I64 L90 G91	F33-V61 HydrophobicContact CD1-CG2 3.98Å; F33-V61 HydrophobicContact CE1-CG2 3.7Å; L40-V61 HydrophobicContact CB-CB 4.28Å; L40-V61 HydrophobicContact CD2-CB 4.02Å; L40-V61 HydrophobicContact CD2-CG1 4.32Å; L40-V61 HydrophobicContact CD2-CG2 4.45Å; L40-V61 PolarHBondContact O-N 3.44Å; V42-V61 HydrophobicContact CG2-CG2 3.86Å; V61-I64 HydrophobicContact CG1-CD1 4.25Å; V61-I64 HydrophobicContact CG1-CG1 3.7Å; V61-L90 HydrophobicContact CG1-CD2 4.36Å; V61-G91 CarbonylContact C-O 3.54Å
62	L	88.6	Confident	83.8	Confident	52 Å²	52	45.5 Å²	45.5	27%	0.272	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-39.4	179.4	-60.1	-176.6	0	0	0	112.1	E15 E60 L68 G69 G91 R93	E15-L62 HydrophobicContact CG-CD1 3.98Å; E15-L62 WeakPolarHBondContact OE1-CD1 3.15Å; E60-L62 HydrophobicContact CG-CD2 4.37Å; L62-L68 WeakPolarHBondContact O-CA 3.2Å; L62-G69 PolarHBondContact O-N 3.15Å; L62-G91 PolarHBondContact N-O 3.22Å; L62-R93 HydrophobicContact CD1-CB 3.89Å; L62-R93 HydrophobicContact CD2-CB 4.05Å; L62-R93 HydrophobicContact CG-CB 3.88Å
63	E	87.7	Confident	83.7	Confident	35 Å²	35	43.3 Å²	43.3	16%	0.164	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	153.8	173.2	59.1	153.8	-89.3	0	0	114.2	G66 H67 R89 L90 G91	E63-G66 WeakPolarHBondContact OE1-CA 3.5Å; E63-G66 PolarHBondContact OE1-N 2.69Å; E63-H67 CarbonylContact C-O 3.4Å; E63-H67 WeakPolarHBondContact CA-O 3.35Å; E63-H67 WeakPolarHBondContact CB-O 3.46Å; E63-R89 VanDerWaalsContact CD-NH2 3.28Å; E63-R89 IonicContact OE1-CZ 3.15Å; E63-R89 IonicContact OE1-NH1 3.55Å; E63-R89 PolarHBondContact OE1-NH1 2.89Å; E63-R89 IonicContact OE1-NH2 2.68Å; E63-R89 PolarHBondContact OE1-NH2 2.83Å; E63-R89 IonicContact OE2-NH1 2.71Å; E63-R89 IonicContact OE2-NH2 3.5Å; E63-R89 PolarHBondContact OE2-NH2 2.82Å; E63-L90 CarbonylContact O-C 3.6Å; E63-L90 WeakPolarHBondContact O-CA 3.42Å; E63-G91 PolarHBondContact N-O 3.34Å; E63-G91 PolarHBondContact O-N 3.2Å
64	I	87.4	Confident	83.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.1	171.6	-53.7	-174	0	0	0	106.9	F33 L40 V61 G66 H67 L72 L80 L88 L90	F33-I64 HydrophobicContact CD2-CD1 4.37Å; F33-I64 HydrophobicContact CE2-CD1 3.81Å; F33-I64 HydrophobicContact CZ-CD1 4.22Å; L40-I64 HydrophobicContact CD2-CD1 3.92Å; V61-I64 HydrophobicContact CG1-CD1 4.25Å; V61-I64 HydrophobicContact CG1-CG1 3.7Å; I64-G66 PolarHBondContact O-N 3.31Å; I64-H67 PolarHBondContact N-O 2.93Å; I64-H67 WeakPolarHBondContact O-CB 3.49Å; I64-H67 PolarHBondContact O-N 3.06Å; I64-L72 HydrophobicContact CB-CD1 4.08Å; I64-L72 HydrophobicContact CD1-CD1 4.04Å; I64-L72 HydrophobicContact CG1-CD1 4.15Å; I64-L80 HydrophobicContact CG2-CB 4.33Å; I64-L88 HydrophobicContact CG2-CD1 4.02Å; I64-L90 HydrophobicContact CB-CD2 4.19Å; I64-L90 HydrophobicContact CD1-CD2 4.38Å; I64-L90 HydrophobicContact CG1-CD2 3.8Å; I64-L90 HydrophobicContact CG2-CD2 3.95Å
65	E	83.8	Confident	83.7	Confident	48 Å²	48	48.3 Å²	48.3	22%	0.224	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	24.9	-178.1	-69.7	-74.3	126.6	0	0	115.4	K84 L88 R89	E65-K84 HydrophobicContact CG-CD 3.81Å; E65-K84 HydrophobicContact CG-CG 3.87Å; E65-K84 WeakPolarHBondContact OE2-CD 3.47Å; E65-K84 WeakPolarHBondContact OE2-CE 3.21Å; E65-K84 IonicContact OE2-NZ 2.9Å; E65-K84 PolarHBondContact OE2-NZ 2.7Å; E65-L88 HydrophobicContact CG-CD1 3.97Å; E65-L88 WeakPolarHBondContact OE1-CA 3.38Å; E65-R89 PolarHBondContact N-O 3.25Å; E65-R89 WeakPolarHBondContact OE1-CB 3.44Å; E65-R89 PolarHBondContact OE1-N 2.83Å
66	G	78.2	Confident	83.5	Confident	14 Å²	14	51 Å²	51	14%	0.144	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-0.2	-176	0	0	0	0	0	115.9	E63 I64 K332	E63-G66 WeakPolarHBondContact OE1-CA 3.5Å; E63-G66 PolarHBondContact OE1-N 2.69Å; I64-G66 PolarHBondContact O-N 3.31Å; G66-K332 PolarHBondContact O-NZ 2.97Å
67	H	79.7	Confident	83.3	Confident	48 Å²	48	47.1 Å²	47.1	22%	0.222	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.7	167.7	-63.2	-93.2	0	0	0	110.3	E63 I64 L72	E63-H67 CarbonylContact C-O 3.4Å; E63-H67 WeakPolarHBondContact CA-O 3.35Å; E63-H67 WeakPolarHBondContact CB-O 3.46Å; I64-H67 PolarHBondContact N-O 2.93Å; I64-H67 WeakPolarHBondContact O-CB 3.49Å; I64-H67 PolarHBondContact O-N 3.06Å; H67-L72 HydrophobicContact CB-CD1 4.04Å; H67-L72 HydrophobicContact CB-CD2 4.13Å; H67-L72 HydrophobicContact CB-CG 4.28Å
68	L	80.1	Confident	83.1	Confident	83 Å²	83	44.2 Å²	44.2	44%	0.435	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.2	-176.6	-66.2	170.4	0	0	0	111.7	L62 T70 E71 L72	L62-L68 WeakPolarHBondContact O-CA 3.2Å; L68-T70 PolarHBondContact O-N 2.92Å; L68-T70 VanDerWaalsContact O-N 3.15Å; L68-E71 HydrophobicContact CB-CG 4.18Å; L68-E71 PolarHBondContact O-N 3.48Å; L68-L72 PolarHBondContact O-N 2.79Å
69	G	69.9	Low	82.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.7	178.7	0	0	0	0	0	113.8	L62 E71	L62-G69 PolarHBondContact O-N 3.15Å; G69-E71 VanDerWaalsContact C-N 3.33Å
70	T	73.5	Confident	82.4	Confident	87 Å²	87	47.4 Å²	47.4	53%	0.534	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-29	170.8	50.2	0	0	0	0	113.2	K35 G38 L68	K35-T70 PolarHBondContact NZ-O 3.3Å; G38-T70 WeakPolarHBondContact O-CA 3.36Å; L68-T70 PolarHBondContact O-N 2.92Å; L68-T70 VanDerWaalsContact O-N 3.15Å
71	E	79.8	Confident	81.8	Confident	89 Å²	89	47.2 Å²	47.2	42%	0.416	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-41.7	-179.4	-62.3	-178	177.4	0	0	111.8	L68 G69 Y329	L68-E71 HydrophobicContact CB-CG 4.18Å; L68-E71 PolarHBondContact O-N 3.48Å; G69-E71 VanDerWaalsContact C-N 3.33Å; E71-Y329 VanDerWaalsContact OE2-CE1 3.26Å; E71-Y329 WeakPolarHBondContact OE2-CE1 3.29Å
72	L	78.1	Confident	81.2	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.274	C	S	.	.	S	Bend	trans	-67.3	134.2	-177.5	-60.4	176.9	0	0	0	113.2	K35 I64 H67 L68 E76 L80	K35-L72 VanDerWaalsContact CD-O 3.23Å; K35-L72 WeakPolarHBondContact CD-O 3.09Å; K35-L72 WeakPolarHBondContact CE-O 3.35Å; K35-L72 PolarHBondContact NZ-O 3.15Å; I64-L72 HydrophobicContact CB-CD1 4.08Å; I64-L72 HydrophobicContact CD1-CD1 4.04Å; I64-L72 HydrophobicContact CG1-CD1 4.15Å; H67-L72 HydrophobicContact CB-CD1 4.04Å; H67-L72 HydrophobicContact CB-CD2 4.13Å; H67-L72 HydrophobicContact CB-CG 4.28Å; L68-L72 PolarHBondContact O-N 2.79Å; L72-E76 HydrophobicContact CD2-CB 4.43Å; L72-L80 HydrophobicContact CD1-CD1 3.66Å; L72-L80 HydrophobicContact CD2-CD1 3.41Å; L72-L80 VanDerWaalsContact CD2-CD1 3.41Å; L72-L80 HydrophobicContact CG-CD1 4.17Å
73	T	83.6	Confident	80.5	Confident	67 Å²	67	56.5 Å²	56.5	41%	0.411	29%	0.294	S	S	.	.			trans	-71.1	168.8	164	60	0	0	0	0	111.9	E76 S77	T73-E76 VanDerWaalsContact CB-OE2 3.31Å; T73-E76 WeakPolarHBondContact CB-OE2 3.45Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.35Å; T73-E76 PolarHBondContact N-OE2 3.34Å; T73-E76 PolarHBondContact O-N 3.22Å; T73-E76 WeakPolarHBondContact OG1-CB 3.48Å; T73-E76 VanDerWaalsContact OG1-CD 3.24Å; T73-E76 WeakPolarHBondContact OG1-CG 3.27Å; T73-E76 PolarHBondContact OG1-N 2.76Å; T73-E76 PolarHBondContact OG1-OE2 3.03Å; T73-S77 WeakPolarHBondContact O-CB 3.44Å; T73-S77 PolarHBondContact O-N 3Å; T73-S77 PolarHBondContact O-OG 2.96Å
74	E	83.2	Confident	79.6	Confident	75 Å²	75	58.8 Å²	58.8	35%	0.35	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-46.1	177.9	-167.7	167.4	138.3	0	0	111.5	N34 K35 S77 H78	N34-E74 VanDerWaalsContact CA-OE2 3.22Å; N34-E74 WeakPolarHBondContact CA-OE2 3.37Å; N34-E74 PolarHBondContact ND2-OE2 3.12Å; K35-E74 HydrophobicContact CB-CB 4.28Å; K35-E74 PolarHBondContact N-OE2 3.07Å; E74-S77 PolarHBondContact O-N 2.83Å; E74-S77 PolarHBondContact O-OG 2.79Å; E74-H78 PolarHBondContact O-N 3.11Å
75	E	84.5	Confident	78.5	Confident	161 Å²	161	60.2 Å²	60.2	75%	0.752	31%	0.313	S	S	*	.	H	α-helix	trans	-65.1	-41.3	177.3	-62.6	-179.7	177.9	0	0	112.8	S77 H78 S79	E75-S77 VanDerWaalsContact C-N 3.35Å; E75-H78 PolarHBondContact O-N 2.88Å; E75-S79 WeakPolarHBondContact O-CB 3.27Å; E75-S79 PolarHBondContact O-N 3.07Å; E75-S79 PolarHBondContact O-OG 2.86Å
76	E	83.1	Confident	78.2	Confident	62 Å²	62	61.7 Å²	61.7	29%	0.29	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-39.1	173.5	-72.9	166.7	133.8	0	0	111.6	L72 T73 S79 L80	L72-E76 HydrophobicContact CD2-CB 4.43Å; T73-E76 VanDerWaalsContact CB-OE2 3.31Å; T73-E76 WeakPolarHBondContact CB-OE2 3.45Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.35Å; T73-E76 PolarHBondContact N-OE2 3.34Å; T73-E76 PolarHBondContact O-N 3.22Å; T73-E76 WeakPolarHBondContact OG1-CB 3.48Å; T73-E76 VanDerWaalsContact OG1-CD 3.24Å; T73-E76 WeakPolarHBondContact OG1-CG 3.27Å; T73-E76 PolarHBondContact OG1-N 2.76Å; T73-E76 PolarHBondContact OG1-OE2 3.03Å; E76-S79 PolarHBondContact O-N 3.07Å; E76-L80 WeakPolarHBondContact O-CB 3.42Å; E76-L80 WeakPolarHBondContact O-CG 3.42Å; E76-L80 PolarHBondContact O-N 3.34Å
77	S	82.7	Confident	78.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-39.2	179.1	76.5	0	0	0	0	112.6	F33 T73 E74 E75 A81	F33-S77 WeakPolarHBondContact CD2-OG 3.41Å; T73-S77 WeakPolarHBondContact O-CB 3.44Å; T73-S77 PolarHBondContact O-N 3Å; T73-S77 PolarHBondContact O-OG 2.96Å; E74-S77 PolarHBondContact O-N 2.83Å; E74-S77 PolarHBondContact O-OG 2.79Å; E75-S77 VanDerWaalsContact C-N 3.35Å; S77-A81 PolarHBondContact O-N 2.93Å
78	H	82.6	Confident	78.7	Confident	50 Å²	50	63 Å²	63	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-46.7	171.2	-91.4	-86.1	0	0	0	111.5	F33 E74 E75 L80 A81 E82	F33-H78 PolarHBondContact N-NE2 3.02Å; E74-H78 PolarHBondContact O-N 3.11Å; E75-H78 PolarHBondContact O-N 2.88Å; H78-L80 PolarHBondContact O-N 3.1Å; H78-A81 PolarHBondContact O-N 2.89Å; H78-E82 PolarHBondContact O-N 3.46Å
79	S	82.6	Confident	79	Confident	68 Å²	68	61.1 Å²	61.1	48%	0.476	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-41.2	-179.9	-60.5	0	0	0	0	112.8	E75 E76 E82 L83	E75-S79 WeakPolarHBondContact O-CB 3.27Å; E75-S79 PolarHBondContact O-N 3.07Å; E75-S79 PolarHBondContact O-OG 2.86Å; E76-S79 PolarHBondContact O-N 3.07Å; S79-E82 PolarHBondContact O-N 3.41Å; S79-L83 WeakPolarHBondContact O-CB 3.34Å; S79-L83 WeakPolarHBondContact O-CG 3.42Å; S79-L83 PolarHBondContact O-N 3.23Å
80	L	79.1	Confident	79.9	Confident	41 Å²	41	61 Å²	61	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-38.7	175.9	-77.4	169.4	0	0	0	112.5	I64 L72 E76 H78 K84	I64-L80 HydrophobicContact CG2-CB 4.33Å; L72-L80 HydrophobicContact CD1-CD1 3.66Å; L72-L80 HydrophobicContact CD2-CD1 3.41Å; L72-L80 VanDerWaalsContact CD2-CD1 3.41Å; L72-L80 HydrophobicContact CG-CD1 4.17Å; E76-L80 WeakPolarHBondContact O-CB 3.42Å; E76-L80 WeakPolarHBondContact O-CG 3.42Å; E76-L80 PolarHBondContact O-N 3.34Å; H78-L80 PolarHBondContact O-N 3.1Å; L80-K84 WeakPolarHBondContact O-CG 3.39Å; L80-K84 PolarHBondContact O-N 2.81Å
81	A	79.6	Confident	80.5	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-43.4	174.4	0	0	0	0	0	111.4	W29 S77 H78 K84 L88	W29-A81 VanDerWaalsContact CD1-O 3.31Å; W29-A81 PolarHBondContact NE1-O 3.05Å; S77-A81 PolarHBondContact O-N 2.93Å; H78-A81 PolarHBondContact O-N 2.89Å; A81-K84 PolarHBondContact O-N 2.91Å; A81-L88 HydrophobicContact CB-CD2 3.97Å
82	E	78.3	Confident	81	Confident	118 Å²	118	53.1 Å²	53.1	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-73.5	-36.8	-178.7	-68.7	-169.2	172.6	0	0	114	H78 S79 K84	H78-E82 PolarHBondContact O-N 3.46Å; S79-E82 PolarHBondContact O-N 3.41Å; E82-K84 PolarHBondContact O-N 3.03Å
83	L	72.2	Confident	81.4	Confident	133 Å²	133	54.7 Å²	54.7	70%	0.696	27%	0.273	S	S	*	.	H	α-helix	trans	-52.7	-34.1	170.3	-92.5	163.6	0	0	0	112.4	S79 S85	S79-L83 WeakPolarHBondContact O-CB 3.34Å; S79-L83 WeakPolarHBondContact O-CG 3.42Å; S79-L83 PolarHBondContact O-N 3.23Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 3.34Å
84	K	69.3	Low	81.6	Confident	83 Å²	83	53.9 Å²	53.9	36%	0.361	26%	0.262	S	S	.	.	S	Bend	trans	-81	75.5	-176.3	-77.2	-78.2	166.7	163.9	0	111.3	W29 E65 L80 A81 E82 N86 Y87 L88	W29-K84 WeakPolarHBondContact CZ2-O 3.46Å; E65-K84 HydrophobicContact CG-CD 3.81Å; E65-K84 HydrophobicContact CG-CG 3.87Å; E65-K84 WeakPolarHBondContact OE2-CD 3.47Å; E65-K84 WeakPolarHBondContact OE2-CE 3.21Å; E65-K84 IonicContact OE2-NZ 2.9Å; E65-K84 PolarHBondContact OE2-NZ 2.7Å; L80-K84 WeakPolarHBondContact O-CG 3.39Å; L80-K84 PolarHBondContact O-N 2.81Å; A81-K84 PolarHBondContact O-N 2.91Å; E82-K84 PolarHBondContact O-N 3.03Å; K84-N86 VanDerWaalsContact C-N 3.29Å; K84-N86 PolarHBondContact O-N 3.26Å; K84-Y87 WeakPolarHBondContact CB-O 3.19Å; K84-L88 HydrophobicContact CB-CD1 4.02Å; K84-L88 HydrophobicContact CG-CD1 4.23Å
85	S	65.3	Low	81.3	Confident	30 Å²	30	53.3 Å²	53.3	21%	0.21	26%	0.261	C	S	.	.			trans	-67.3	-14	-157.7	68.5	0	0	0	0	117.9	R22 R25 L83	R22-S85 VanDerWaalsContact CZ-O 3.28Å; R22-S85 PolarHBondContact NE-O 2.77Å; R22-S85 VanDerWaalsContact NH2-CA 3.3Å; R22-S85 PolarHBondContact NH2-O 2.91Å; R25-S85 PolarHBondContact NE-OG 3.26Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 3.34Å
86	N	76.5	Confident	80.2	Confident	78 Å²	78	49.7 Å²	49.7	42%	0.417	25%	0.252	S	S	.	.	S	Bend	trans	-134.2	-31.2	179.2	-74.9	-1.9	0	0	0	114.1	L21 R22 K84	L21-N86 CarbonylContact C-O 3.47Å; L21-N86 VanDerWaalsContact CA-O 3.31Å; L21-N86 WeakPolarHBondContact CA-O 3.38Å; R22-N86 PolarHBondContact N-O 3.32Å; K84-N86 VanDerWaalsContact C-N 3.29Å; K84-N86 PolarHBondContact O-N 3.26Å
87	Y	82.8	Confident	78.7	Confident	89 Å²	89	54 Å²	54	35%	0.349	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.3	-173.1	168.6	-82.9	0	0	0	109.8	R19 L20 K84 R89	R19-Y87 HydrophobicContact CB-CE2 4.09Å; R19-Y87 WeakPolarHBondContact CD-OH 3.43Å; R19-Y87 WeakPolarHBondContact CG-OH 3.48Å; L20-Y87 WeakPolarHBondContact O-CA 3.36Å; K84-Y87 WeakPolarHBondContact CB-O 3.19Å; Y87-R89 HydrophobicContact CE1-CB 4.05Å
88	L	85.5	Confident	76.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	126.5	179.8	-179.1	67.7	0	0	0	111.3	L20 W29 F31 I64 E65 A81 K84 L90	L20-L88 HydrophobicContact CB-CB 4.5Å; L20-L88 PolarHBondContact N-O 2.6Å; L20-L88 PolarHBondContact O-N 3.27Å; W29-L88 HydrophobicContact CD2-CD2 4.24Å; W29-L88 HydrophobicContact CG-CD2 4.35Å; W29-L88 HydrophobicContact CH2-CB 3.89Å; W29-L88 HydrophobicContact CZ2-CB 3.5Å; W29-L88 VanDerWaalsContact CZ2-CB 3.5Å; W29-L88 HydrophobicContact CZ2-CD2 4.46Å; F31-L88 HydrophobicContact CZ-CD2 3.76Å; I64-L88 HydrophobicContact CG2-CD1 4.02Å; E65-L88 HydrophobicContact CG-CD1 3.97Å; E65-L88 WeakPolarHBondContact OE1-CA 3.38Å; A81-L88 HydrophobicContact CB-CD2 3.97Å; K84-L88 HydrophobicContact CB-CD1 4.02Å; K84-L88 HydrophobicContact CG-CD1 4.23Å; L88-L90 HydrophobicContact CD1-CD2 4.48Å; L88-L90 HydrophobicContact CD2-CD1 4.36Å; L88-L90 HydrophobicContact CD2-CD2 4.15Å; L88-L90 HydrophobicContact CD2-CG 4.27Å; L88-L90 HydrophobicContact CG-CD2 4.17Å; L88-L90 HydrophobicContact CG-CG 4.22Å
89	R	86.6	Confident	74.7	Confident	44 Å²	44	64.3 Å²	64.3	17%	0.166	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.1	171.6	179.3	171.8	164.4	-88.4	-24.4	110.5	D17 L18 R19 E63 E65 Y87	D17-R89 VanDerWaalsContact CG-NE 3.29Å; D17-R89 IonicContact OD1-CZ 3.32Å; D17-R89 IonicContact OD1-NE 3.52Å; D17-R89 PolarHBondContact OD1-NE 2.62Å; D17-R89 IonicContact OD1-NH2 3.38Å; D17-R89 PolarHBondContact OD1-NH2 3.24Å; D17-R89 IonicContact OD2-CZ 3.88Å; D17-R89 IonicContact OD2-NE 3.24Å; D17-R89 PolarHBondContact OD2-NE 2.88Å; L18-R89 CarbonylContact O-C 3.6Å; L18-R89 WeakPolarHBondContact O-CA 3.21Å; R19-R89 HydrophobicContact CG-CG 4.38Å; E63-R89 VanDerWaalsContact CD-NH2 3.28Å; E63-R89 IonicContact OE1-CZ 3.15Å; E63-R89 IonicContact OE1-NH1 3.55Å; E63-R89 PolarHBondContact OE1-NH1 2.89Å; E63-R89 IonicContact OE1-NH2 2.68Å; E63-R89 PolarHBondContact OE1-NH2 2.83Å; E63-R89 IonicContact OE2-NH1 2.71Å; E63-R89 IonicContact OE2-NH2 3.5Å; E63-R89 PolarHBondContact OE2-NH2 2.82Å; E65-R89 PolarHBondContact N-O 3.25Å; E65-R89 WeakPolarHBondContact OE1-CB 3.44Å; E65-R89 PolarHBondContact OE1-N 2.83Å; Y87-R89 HydrophobicContact CE1-CB 4.05Å
90	L	88.9	Confident	72.5	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122	175.8	-59.6	174	0	0	0	108.8	L18 L20 F31 F33 L55 V61 E63 I64 L88 I92	L18-L90 HydrophobicContact CB-CB 4.45Å; L18-L90 PolarHBondContact N-O 3.28Å; L18-L90 PolarHBondContact O-N 2.97Å; L20-L90 HydrophobicContact CD1-CD1 4.13Å; F31-L90 HydrophobicContact CZ-CD1 4.19Å; F33-L90 HydrophobicContact CZ-CD1 4.4Å; F33-L90 HydrophobicContact CZ-CD2 4.23Å; L55-L90 HydrophobicContact CD1-CD1 3.78Å; V61-L90 HydrophobicContact CG1-CD2 4.36Å; E63-L90 CarbonylContact O-C 3.6Å; E63-L90 WeakPolarHBondContact O-CA 3.42Å; I64-L90 HydrophobicContact CB-CD2 4.19Å; I64-L90 HydrophobicContact CD1-CD2 4.38Å; I64-L90 HydrophobicContact CG1-CD2 3.8Å; I64-L90 HydrophobicContact CG2-CD2 3.95Å; L88-L90 HydrophobicContact CD1-CD2 4.48Å; L88-L90 HydrophobicContact CD2-CD1 4.36Å; L88-L90 HydrophobicContact CD2-CD2 4.15Å; L88-L90 HydrophobicContact CD2-CG 4.27Å; L88-L90 HydrophobicContact CG-CD2 4.17Å; L88-L90 HydrophobicContact CG-CG 4.22Å; L90-I92 HydrophobicContact CB-CD1 4.04Å; L90-I92 HydrophobicContact CB-CG1 3.92Å; L90-I92 HydrophobicContact CD1-CD1 4.44Å
91	G	86.7	Confident	70.5	Confident	8 Å²	8	72 Å²	72	8%	0.082	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116	164.4	0	0	0	0	0	108.3	V61 L62 E63	V61-G91 CarbonylContact C-O 3.54Å; L62-G91 PolarHBondContact N-O 3.22Å; E63-G91 PolarHBondContact N-O 3.34Å; E63-G91 PolarHBondContact O-N 3.2Å
92	I	89.8	Confident	68.1	Low	1 Å²	1	82.5 Å²	82.5	1%	0.005	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.5	-171.9	-64.2	176	0	0	0	109.5	E15 F16 L18 L55 D59 E60 L90	E15-I92 CarbonylContact C-O 3.48Å; E15-I92 VanDerWaalsContact CA-O 3.25Å; E15-I92 WeakPolarHBondContact CA-O 3.37Å; F16-I92 HydrophobicContact CE1-CB 4.13Å; F16-I92 HydrophobicContact CE1-CG2 3.75Å; F16-I92 HydrophobicContact CE2-CB 4.11Å; F16-I92 HydrophobicContact CE2-CD1 4.07Å; F16-I92 HydrophobicContact CE2-CG2 4.34Å; F16-I92 HydrophobicContact CZ-CB 3.9Å; F16-I92 HydrophobicContact CZ-CD1 4.21Å; F16-I92 HydrophobicContact CZ-CG2 3.63Å; F16-I92 PolarHBondContact N-O 2.9Å; F16-I92 PolarHBondContact O-N 3.24Å; L18-I92 HydrophobicContact CB-CD1 3.82Å; L18-I92 HydrophobicContact CD2-CD1 3.58Å; L18-I92 HydrophobicContact CG-CD1 4.36Å; L55-I92 HydrophobicContact CD1-CD1 4.15Å; L55-I92 HydrophobicContact CD2-CD1 3.86Å; L55-I92 HydrophobicContact CG-CD1 3.72Å; D59-I92 HydrophobicContact CB-CG2 3.76Å; E60-I92 CarbonylContact O-C 3.5Å; E60-I92 WeakPolarHBondContact O-CA 3.28Å; L90-I92 HydrophobicContact CB-CD1 4.04Å; L90-I92 HydrophobicContact CB-CG1 3.92Å; L90-I92 HydrophobicContact CD1-CD1 4.44Å
93	R	87.4	Confident	65.7	Low	37 Å²	37	84.7 Å²	84.7	14%	0.14	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	108.2	165.3	-176.5	165.1	71.2	165.7	-9.4	109.9	E13 E15 E60 L62 L95	E13-R93 HydrophobicContact CB-CG 4.35Å; E13-R93 VanDerWaalsContact CD-NH1 3.27Å; E13-R93 IonicContact OE1-CZ 2.64Å; E13-R93 IonicContact OE1-NH1 2.76Å; E13-R93 PolarHBondContact OE1-NH1 3.12Å; E13-R93 WeakPolarHBondContact OE2-CD 3.25Å; E13-R93 IonicContact OE2-CZ 2.73Å; E13-R93 IonicContact OE2-NE 3.5Å; E13-R93 IonicContact OE2-NH1 3.52Å; E13-R93 PolarHBondContact OE2-NH1 2.91Å; E15-R93 HydrophobicContact CG-CB 4Å; E15-R93 HydrophobicContact CG-CG 3.88Å; E60-R93 HydrophobicContact CB-CB 4.31Å; E60-R93 PolarHBondContact N-O 3.02Å; E60-R93 PolarHBondContact O-N 2.81Å; E60-R93 IonicContact OE1-NH2 3.82Å; E60-R93 IonicContact OE2-CZ 3.88Å; E60-R93 IonicContact OE2-NE 3.18Å; E60-R93 PolarHBondContact OE2-NE 3.23Å; E60-R93 IonicContact OE2-NH2 2.7Å; E60-R93 PolarHBondContact OE2-NH2 3.35Å; L62-R93 HydrophobicContact CD1-CB 3.89Å; L62-R93 HydrophobicContact CD2-CB 4.05Å; L62-R93 HydrophobicContact CG-CB 3.88Å; R93-L95 PolarHBondContact O-N 2.99Å
94	R	86.4	Confident	63.7	Low	50 Å²	50	82.7 Å²	82.7	19%	0.189	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	110.4	166.2	-173.2	160.1	-57.6	159.4	12.1	109.3	R14 F16 W54 E56 D59	R14-R94 HydrophobicContact CB-CB 4.15Å; R14-R94 PolarHBondContact N-O 2.94Å; R14-R94 PolarHBondContact O-N 3.38Å; F16-R94 HydrophobicContact CE1-CB 4.09Å; W54-R94 PolarHBondContact O-NH2 3.47Å; E56-R94 IonicContact OE1-CZ 2.83Å; E56-R94 IonicContact OE1-NH1 3.94Å; E56-R94 PolarHBondContact OE1-NH1 3.42Å; E56-R94 WeakPolarHBondContact OE2-CD 3.31Å; E56-R94 IonicContact OE2-CZ 3.16Å; E56-R94 IonicContact OE2-NE 2.66Å; E56-R94 PolarHBondContact OE2-NE 3.22Å; E56-R94 IonicContact OE2-NH1 2.71Å; E56-R94 PolarHBondContact OE2-NH1 3.43Å; D59-R94 WeakPolarHBondContact OD1-CA 3.27Å; D59-R94 WeakPolarHBondContact OD1-CB 3.26Å; D59-R94 VanDerWaalsContact OD1-CG 3.28Å; D59-R94 WeakPolarHBondContact OD1-CG 3.42Å; D59-R94 IonicContact OD1-CZ 3.95Å; D59-R94 IonicContact OD1-NE 3.17Å; D59-R94 PolarHBondContact OD1-NE 3.49Å; D59-R94 IonicContact OD1-NH2 3.96Å; D59-R94 PolarHBondContact OD1-NH2 2.81Å; D59-R94 IonicContact OD2-CZ 2.81Å; D59-R94 IonicContact OD2-NE 2.93Å; D59-R94 IonicContact OD2-NH2 2.81Å; D59-R94 PolarHBondContact OD2-NH2 3.24Å
95	L	76.8	Confident	62	Low	64 Å²	64	84.8 Å²	84.8	34%	0.335	44%	0.442	S	S	.	.			trans	-59.9	143.2	165.2	-65.3	-179.3	0	0	0	109.2	W41 R93 M97	W41-L95 HydrophobicContact CH2-CD1 3.92Å; W41-L95 HydrophobicContact CZ3-CD1 3.85Å; W41-L95 HydrophobicContact CZ3-CG 4.49Å; R93-L95 PolarHBondContact O-N 2.99Å; L95-M97 PolarHBondContact O-N 3.14Å
96	P	62	Low	60.4	Low	84 Å²	84	89.9 Å²	89.9	55%	0.545	46%	0.457	S	S	.	.			trans	-67.5	100.5	170.1	30.6	-34.4	0	0	0	108.1	N12 F98	N12-P96 VanDerWaalsContact O-CD 3.27Å; N12-P96 WeakPolarHBondContact O-CD 3.33Å; N12-P96 VanDerWaalsContact O-CG 3.26Å; N12-P96 WeakPolarHBondContact O-CG 3.27Å; P96-F98 PolarHBondContact O-N 3.24Å; P96-F98 VanDerWaalsContact O-N 3.11Å
97	M	52.6	Low	58.4	Low	153 Å²	153	92.2 Å²	92.2	75%	0.754	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-51.4	124.4	165.3	-69.3	-156.2	-59.7	0	0	107.8	L95 S99	L95-M97 PolarHBondContact O-N 3.14Å; M97-S99 PolarHBondContact O-N 2.76Å
98	F	42.3	Very low	56	Low	196 Å²	196	91.1 Å²	91.1	86%	0.86	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-50.5	116.9	170.9	-80.6	-85.7	0	0	0	107.5	P96 N100	P96-F98 PolarHBondContact O-N 3.24Å; P96-F98 VanDerWaalsContact O-N 3.11Å; F98-N100 PolarHBondContact O-N 3.27Å; F98-N100 VanDerWaalsContact O-N 3.15Å; F98-N100 PolarHBondContact O-OD1 2.73Å
99	S	38.2	Very low	53.5	Low	71 Å²	71	95.8 Å²	95.8	50%	0.497	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-64.3	126.4	-174.6	81.4	0	0	0	0	107.7	M97 Q101	M97-S99 PolarHBondContact O-N 2.76Å; S99-Q101 PolarHBondContact O-N 2.96Å; S99-Q101 WeakPolarHBondContact OG-CG 3.37Å; S99-Q101 PolarHBondContact OG-OE1 2.92Å
100	N	35.4	Very low	51.1	Low	115 Å²	115	104.8 Å²	104.8	62%	0.615	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	65.6	179.3	-69.7	-2.7	0	0	0	111.2	F98 R106	F98-N100 PolarHBondContact O-N 3.27Å; F98-N100 VanDerWaalsContact O-N 3.15Å; F98-N100 PolarHBondContact O-OD1 2.73Å; N100-R106 PolarHBondContact O-NE 2.89Å; N100-R106 PolarHBondContact O-NH2 2.97Å
101	Q	38.5	Very low	48.2	Very low	155 Å²	155	112.4 Å²	112.4	72%	0.724	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-21.5	171.8	-73.5	-179.5	-26.5	0	0	110.2	S99	S99-Q101 PolarHBondContact O-N 2.96Å; S99-Q101 WeakPolarHBondContact OG-CG 3.37Å; S99-Q101 PolarHBondContact OG-OE1 2.92Å
102	Y	29.4	Very low	45.6	Very low	224 Å²	224	119.9 Å²	119.9	88%	0.878	63%	0.63	S	S	*	*	S	Bend	trans	-108.1	77.1	164.3	-90.7	-95.4	0	0	0	110.3
103	M	27.6	Very low	42.7	Very low	163 Å²	163	125.6 Å²	125.6	80%	0.803	67%	0.67	S	S	*	*	S	Bend	trans	176	104.7	143.3	-98.9	-175.7	90.5	0	0	110.6	T105	M103-T105 PolarHBondContact O-N 2.97Å
104	G	29.9	Very low	40.1	Very low	91 Å²	91	135.8 Å²	135.8	94%	0.938	71%	0.709	S	S	*	*	S	Bend	trans	64.9	-63.5	148.4	0	0	0	0	0	119.9
105	T	32.6	Very low	37.3	Very low	127 Å²	127	137.7 Å²	137.7	78%	0.779	74%	0.735	S	S	*	*			trans	-133	104.8	-154.7	47.5	0	0	0	0	113.1	M103	M103-T105 PolarHBondContact O-N 2.97Å
106	R	32.7	Very low	35	Very low	138 Å²	138	139.8 Å²	139.8	52%	0.521	76%	0.762	S	S	.	*			trans	-134.7	109.9	165.1	-80.7	-166.1	-178	-149.3	2.9	111.1	N100 A108	N100-R106 PolarHBondContact O-NE 2.89Å; N100-R106 PolarHBondContact O-NH2 2.97Å; R106-A108 HydrophobicContact CB-CB 3.9Å; R106-A108 HydrophobicContact CG-CB 4.45Å; R106-A108 PolarHBondContact O-N 2.89Å
107	P	34.1	Very low	33.6	Very low	126 Å²	126	140.8 Å²	140.8	82%	0.818	77%	0.771	S	S	*	*			trans	-74.9	57.1	154.5	33.7	-33.8	0	0	0	109.6	S109	P107-S109 PolarHBondContact O-N 3.35Å; P107-S109 VanDerWaalsContact O-N 3.07Å
108	A	31.8	Very low	32.5	Very low	66 Å²	66	139.1 Å²	139.1	55%	0.545	77%	0.769	S	S	.	*			trans	-84.4	42.4	178.2	0	0	0	0	0	111.6	R106 R110	R106-A108 HydrophobicContact CB-CB 3.9Å; R106-A108 HydrophobicContact CG-CB 4.45Å; R106-A108 PolarHBondContact O-N 2.89Å; A108-R110 PolarHBondContact O-N 3.42Å
109	S	34.3	Very low	31.9	Very low	99 Å²	99	136 Å²	136	69%	0.692	77%	0.767	S	S	*	*			trans	-75.2	54.2	177.9	45.3	0	0	0	0	112.2	P107 N111	P107-S109 PolarHBondContact O-N 3.35Å; P107-S109 VanDerWaalsContact O-N 3.07Å; S109-N111 PolarHBondContact O-N 3.38Å; S109-N111 VanDerWaalsContact O-N 3.12Å
110	R	35.9	Very low	31.7	Very low	233 Å²	233	139.6 Å²	139.6	88%	0.879	79%	0.785	S	S	*	*			trans	-68.6	105.8	154	-89.7	-170.7	170.1	-172.2	-2.2	107.2	A108 L112	A108-R110 PolarHBondContact O-N 3.42Å; R110-L112 PolarHBondContact O-N 2.93Å
111	N	28.7	Very low	31.5	Very low	159 Å²	159	145 Å²	145	85%	0.85	80%	0.799	S	S	*	*			trans	-31.3	94.3	-178.3	-64.4	-29.9	0	0	0	114.4	S109	S109-N111 PolarHBondContact O-N 3.38Å; S109-N111 VanDerWaalsContact O-N 3.12Å
112	L	32.3	Very low	31.1	Very low	165 Å²	165	140.9 Å²	140.9	86%	0.864	80%	0.798	S	S	*	*			trans	-97.6	119.1	152.5	-71.3	174.8	0	0	0	106	R110 R114	R110-L112 PolarHBondContact O-N 2.93Å; L112-R114 PolarHBondContact O-N 2.93Å
113	S	28.3	Very low	31.5	Very low	122 Å²	122	139.6 Å²	139.6	85%	0.853	80%	0.8	S	S	*	*			trans	-60.4	103.4	-175.7	-57.7	0	0	0	0	110.4	A115	S113-A115 PolarHBondContact O-N 2.89Å
114	R	31.8	Very low	31.8	Very low	250 Å²	250	137.5 Å²	137.5	94%	0.943	80%	0.802	S	S	*	*			trans	-70.7	95.6	175.1	-148.3	179.8	-164.5	-170.1	4.1	107.7	L112 A116	L112-R114 PolarHBondContact O-N 2.93Å; R114-A116 PolarHBondContact O-N 3.04Å
115	A	29.2	Very low	32	Very low	90 Å²	90	135.7 Å²	135.7	74%	0.744	78%	0.783	S	S	*	*			trans	-55	133.7	177	0	0	0	0	0	109.7	S113 S117	S113-A115 PolarHBondContact O-N 2.89Å; A115-S117 PolarHBondContact O-N 2.92Å; A115-S117 VanDerWaalsContact O-N 3.15Å
116	A	27.8	Very low	32.4	Very low	109 Å²	109	135.3 Å²	135.3	90%	0.901	78%	0.783	S	S	*	*			trans	-71.8	108.6	178.1	0	0	0	0	0	109.4	R114	R114-A116 PolarHBondContact O-N 3.04Å
117	S	32.2	Very low	32.3	Very low	105 Å²	105	139 Å²	139	73%	0.734	80%	0.798	S	S	*	*			trans	-135.1	98.9	171.1	-158.5	0	0	0	0	110.4	A115	A115-S117 PolarHBondContact O-N 2.92Å; A115-S117 VanDerWaalsContact O-N 3.15Å
118	T	29.9	Very low	32.5	Very low	117 Å²	117	138.1 Å²	138.1	72%	0.718	80%	0.795	S	S	*	*			trans	14.8	113.3	149.7	54.6	0	0	0	0	119.4
119	T	28.9	Very low	32.5	Very low	131 Å²	131	146.6 Å²	146.6	80%	0.804	81%	0.813	S	S	*	*				34.2	108.8	129.6	56.3	0	0	0	0	119.7
120	V	34.2	Very low	32.6	Very low	146 Å²	146	149.2 Å²	149.2	89%	0.885	82%	0.818	S	S	*	*			trans	-136.3	148.8	136.8	-178.1	0	0	0	0	108.4
121	Y	31.1	Very low	32.5	Very low	228 Å²	228	146.1 Å²	146.1	89%	0.894	82%	0.819	S	S	*	*			trans	-62	159.6	176.4	-98.9	-127.7	0	0	0	113.3
122	G	31.3	Very low	32.8	Very low	70 Å²	70	142.6 Å²	142.6	72%	0.722	81%	0.813	S	S	*	*			trans	-80	151.8	172	0	0	0	0	0	113.4
123	Q	37.1	Very low	32.8	Very low	196 Å²	196	143.8 Å²	143.8	92%	0.916	81%	0.813	S	S	*	*			trans	-137.1	140.7	160.4	-78.6	-167.9	-22.3	0	0	109.9
124	S	33.4	Very low	33.2	Very low	119 Å²	119	146.4 Å²	146.4	83%	0.832	81%	0.812	S	S	*	*			trans	-80.2	117.6	172.6	40.6	0	0	0	0	110.6
125	G	34.4	Very low	33.6	Very low	53 Å²	53	140.5 Å²	140.5	55%	0.546	81%	0.806	S	S	.	*			trans	-69.7	141.7	176.6	0	0	0	0	0	112.6	Y127	G125-Y127 PolarHBondContact O-N 3.17Å
126	P	40.6	Very low	34.2	Very low	120 Å²	120	145 Å²	145	78%	0.779	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	17.5	-165.7	31.1	-37.8	0	0	0	116
127	Y	31.9	Very low	34.6	Very low	215 Å²	215	149 Å²	149	84%	0.843	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	6.2	-173.3	-68.4	-71.7	0	0	0	115.2	G125 R129	G125-Y127 PolarHBondContact O-N 3.17Å; Y127-R129 PolarHBondContact O-N 3.35Å
128	S	36.7	Very low	35.1	Very low	107 Å²	107	150.4 Å²	150.4	75%	0.748	81%	0.805	S	S	*	*			trans	-86.2	82.4	169.2	-70.1	0	0	0	0	111.5	L130	S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 2.79Å
129	R	32.7	Very low	35.6	Very low	244 Å²	244	149.8 Å²	149.8	92%	0.921	80%	0.803	S	S	*	*			trans	-71.9	87.1	166.9	-75.8	-170.6	177.1	-172.5	-0.5	110.1	Y127 N131	Y127-R129 PolarHBondContact O-N 3.35Å; R129-N131 PolarHBondContact O-N 2.81Å
130	L	35.8	Very low	36.3	Very low	154 Å²	154	150.6 Å²	150.6	81%	0.806	81%	0.807	S	S	*	*			trans	-61.7	112.4	164.7	-81.5	165.3	0	0	0	109.2	S128 A132	S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 2.79Å; L130-A132 HydrophobicContact CB-CB 4.48Å; L130-A132 PolarHBondContact O-N 2.93Å
131	N	35	Very low	36.7	Very low	168 Å²	168	151.6 Å²	151.6	90%	0.898	81%	0.808	S	S	*	*			trans	-78.4	65.6	172	-131.6	26.7	0	0	0	109.4	R129 Q133	R129-N131 PolarHBondContact O-N 2.81Å; N131-Q133 VanDerWaalsContact C-N 3.29Å; N131-Q133 PolarHBondContact O-N 3.44Å
132	A	34.3	Very low	37.2	Very low	86 Å²	86	143 Å²	143	71%	0.711	78%	0.784	S	S	*	*			trans	-80.7	66.2	-171.6	0	0	0	0	0	112.3	L130	L130-A132 HydrophobicContact CB-CB 4.48Å; L130-A132 PolarHBondContact O-N 2.93Å
133	Q	32.9	Very low	37.7	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	79%	0.789	S	S	*	*			trans	-167.4	76.8	162.2	-112.7	169.5	24.2	0	0	112.8	N131	N131-Q133 VanDerWaalsContact C-N 3.29Å; N131-Q133 PolarHBondContact O-N 3.44Å
134	Q	36.4	Very low	37.8	Very low	178 Å²	178	144.7 Å²	144.7	83%	0.832	77%	0.774	S	S	*	*			trans	-154.5	112.1	152.1	-108.5	-176.2	16.8	0	0	109.1	Q136	Q134-Q136 PolarHBondContact O-N 2.92Å
135	P	40.8	Very low	38.4	Very low	126 Å²	126	145.3 Å²	145.3	82%	0.818	77%	0.768	S	S	*	*			trans	-72.5	110.9	169.9	29.1	-31	0	0	0	108.6	Q137	P135-Q137 PolarHBondContact O-N 2.82Å
136	Q	40.4	Very low	38.6	Very low	184 Å²	184	148.7 Å²	148.7	86%	0.86	77%	0.773	S	S	*	*			trans	-64.8	122.3	171.8	-72.1	-165.6	-9.4	0	0	109.3	Q134 K138	Q134-Q136 PolarHBondContact O-N 2.92Å; Q136-K138 PolarHBondContact O-N 3.12Å; Q136-K138 VanDerWaalsContact O-N 3.14Å
137	Q	37.6	Very low	38.6	Very low	193 Å²	193	151.1 Å²	151.1	90%	0.902	78%	0.78	S	S	*	*			trans	-66.6	111.8	178	-69.2	177	-24.9	0	0	109.5	P135	P135-Q137 PolarHBondContact O-N 2.82Å
138	K	42	Very low	39.2	Very low	135 Å²	135	144.5 Å²	144.5	59%	0.587	77%	0.77	S	S	*	*			trans	-57.5	138.9	165.3	-74.4	-176.8	180	179.8	0	108.6	Q136 A142 D144	Q136-K138 PolarHBondContact O-N 3.12Å; Q136-K138 VanDerWaalsContact O-N 3.14Å; K138-A142 HydrophobicContact CD-CB 4.39Å; K138-D144 IonicContact NZ-OD1 2.96Å; K138-D144 PolarHBondContact NZ-OD1 2.93Å
139	P	40.1	Very low	39.8	Very low	104 Å²	104	147.6 Å²	147.6	68%	0.675	77%	0.772	S	S	*	*			trans	-62.8	140.6	166.8	27.8	-33.6	0	0	0	110	N141 A142	P139-N141 PolarHBondContact O-N 3.43Å; P139-A142 PolarHBondContact O-N 2.82Å
140	V	44.7	Very low	40.7	Very low	148 Å²	148	140.9 Å²	140.9	90%	0.897	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-7.4	-159.5	-170.9	0	0	0	0	115.1
141	N	41.8	Very low	41.6	Very low	166 Å²	166	142.2 Å²	142.2	89%	0.888	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	10.2	177.8	-71.3	-11.9	0	0	0	114.3	P139 K143	P139-N141 PolarHBondContact O-N 3.43Å; N141-K143 PolarHBondContact O-N 2.88Å
142	A	40.7	Very low	42.6	Very low	49 Å²	49	143 Å²	143	41%	0.405	76%	0.76	S	S	.	*			trans	-74.8	106.2	174.5	0	0	0	0	0	110.9	K138 P139	K138-A142 HydrophobicContact CD-CB 4.39Å; P139-A142 PolarHBondContact O-N 2.82Å
143	K	42.2	Very low	43.8	Very low	189 Å²	189	142.8 Å²	142.8	82%	0.822	75%	0.751	S	S	*	*			trans	-54.8	137.3	176.4	-137.7	-179.9	-173.3	-175.9	0	111	N141 N145	N141-K143 PolarHBondContact O-N 2.88Å; K143-N145 PolarHBondContact O-N 2.9Å
144	D	39.4	Very low	45.3	Very low	112 Å²	112	138.8 Å²	138.8	60%	0.599	74%	0.735	S	S	*	*			trans	-75.6	95.9	176.4	-81.4	-36.7	0	0	0	111.4	K138 N146	K138-D144 IonicContact NZ-OD1 2.96Å; K138-D144 PolarHBondContact NZ-OD1 2.93Å; D144-N146 VanDerWaalsContact C-N 3.3Å; D144-N146 PolarHBondContact O-N 3.49Å
145	N	45.9	Very low	46.6	Very low	131 Å²	131	137.5 Å²	137.5	70%	0.701	72%	0.724	S	S	*	*			trans	-80.4	81.1	159.6	-73	9.5	0	0	0	108.8	K143	K143-N145 PolarHBondContact O-N 2.9Å
146	N	38.5	Very low	48.1	Very low	125 Å²	125	134.5 Å²	134.5	67%	0.668	71%	0.706	S	S	*	*			trans	-69.2	153.1	152.3	-64.9	-40.9	0	0	0	108.7	D144 A148	D144-N146 VanDerWaalsContact C-N 3.3Å; D144-N146 PolarHBondContact O-N 3.49Å; N146-A148 PolarHBondContact O-N 3.24Å
147	D	41.3	Very low	49.5	Very low	170 Å²	170	128.9 Å²	128.9	91%	0.909	68%	0.679	S	S	*	*	S	Bend	trans	56.8	41.6	164.7	-48.1	-32.7	0	0	0	116.8
148	A	44.6	Very low	50.9	Low	77 Å²	77	124.4 Å²	124.4	64%	0.636	66%	0.659	S	S	*	*			trans	-97.2	88	162	0	0	0	0	0	110.5	N146	N146-A148 PolarHBondContact O-N 3.24Å
149	E	49.6	Very low	52.6	Low	172 Å²	172	124.6 Å²	124.6	80%	0.804	67%	0.667	S	S	*	*			trans	-47.9	142.6	158.3	-80.5	-77.3	116.5	0	0	109.6	E151	E149-E151 PolarHBondContact O-N 2.71Å
150	P	51.1	Low	54.1	Low	102 Å²	102	122.8 Å²	122.8	66%	0.662	65%	0.651	S	S	*	*			trans	-62.4	115.9	173.8	27.5	-32.7	0	0	0	108.7	E152	P150-E152 VanDerWaalsContact C-N 3.34Å; P150-E152 PolarHBondContact O-N 3.5Å
151	E	53.7	Low	55.3	Low	183 Å²	183	119.4 Å²	119.4	86%	0.855	63%	0.632	S	S	*	*			trans	-65.7	93.6	178.8	-171	171.1	-142	0	0	109.2	E149 V153	E149-E151 PolarHBondContact O-N 2.71Å; E151-V153 VanDerWaalsContact C-N 3.32Å; E151-V153 PolarHBondContact O-N 2.79Å
152	E	57	Low	56.6	Low	183 Å²	183	115.9 Å²	115.9	86%	0.855	62%	0.616	S	S	*	*			trans	-64.7	92.5	177.8	-71.7	-158.9	141.7	0	0	109.4	P150 D154	P150-E152 VanDerWaalsContact C-N 3.34Å; P150-E152 PolarHBondContact O-N 3.5Å; E152-D154 PolarHBondContact O-N 3.17Å
153	V	59.7	Low	57.8	Low	83 Å²	83	123.9 Å²	123.9	50%	0.503	64%	0.636	S	S	.	*			trans	-55.1	108.5	174.4	178.7	0	0	0	0	108.5	E151 Y155	E151-V153 VanDerWaalsContact C-N 3.32Å; E151-V153 PolarHBondContact O-N 2.79Å; V153-Y155 HydrophobicContact CB-CE2 3.84Å; V153-Y155 HydrophobicContact CG1-CE1 4Å; V153-Y155 HydrophobicContact CG1-CE2 3.94Å; V153-Y155 WeakPolarHBondContact O-CD2 3.34Å; V153-Y155 WeakPolarHBondContact O-CE2 3.22Å; V153-Y155 PolarHBondContact O-N 2.73Å
154	D	63	Low	59.1	Low	105 Å²	105	119.1 Å²	119.1	56%	0.561	62%	0.617	S	S	*	*			trans	-69.8	95.7	-173.3	179.6	23.8	0	0	0	111.6	E152 S156 F157	E152-D154 PolarHBondContact O-N 3.17Å; D154-S156 PolarHBondContact O-N 3.39Å; D154-S156 WeakPolarHBondContact OD1-CB 3.34Å; D154-S156 PolarHBondContact OD1-N 3.15Å; D154-S156 PolarHBondContact OD1-OG 2.65Å; D154-F157 VanDerWaalsContact O-CD1 3.27Å; D154-F157 WeakPolarHBondContact O-CD1 3.22Å; D154-F157 WeakPolarHBondContact O-CE1 3.09Å
155	Y	64.5	Low	60.7	Low	150 Å²	150	116.9 Å²	116.9	59%	0.588	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-77.5	9.2	174.2	-64.7	-72.9	0	0	0	113.4	V153 F157 M158	V153-Y155 HydrophobicContact CB-CE2 3.84Å; V153-Y155 HydrophobicContact CG1-CE1 4Å; V153-Y155 HydrophobicContact CG1-CE2 3.94Å; V153-Y155 WeakPolarHBondContact O-CD2 3.34Å; V153-Y155 WeakPolarHBondContact O-CE2 3.22Å; V153-Y155 PolarHBondContact O-N 2.73Å; Y155-F157 HydrophobicContact CD1-CE1 4.16Å; Y155-F157 HydrophobicContact CD1-CZ 4.28Å; Y155-F157 PolarHBondContact O-N 3.37Å; Y155-F157 VanDerWaalsContact O-N 3.08Å; Y155-M158 VanDerWaalsContact O-CB 3.25Å; Y155-M158 WeakPolarHBondContact O-CB 3.15Å; Y155-M158 PolarHBondContact O-N 3.48Å
156	S	72.8	Confident	61.5	Low	64 Å²	64	118.4 Å²	118.4	45%	0.448	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-55.6	-29.3	179.9	-66.5	0	0	0	0	113.4	D154 M158 N159	D154-S156 PolarHBondContact O-N 3.39Å; D154-S156 WeakPolarHBondContact OD1-CB 3.34Å; D154-S156 PolarHBondContact OD1-N 3.15Å; D154-S156 PolarHBondContact OD1-OG 2.65Å; S156-M158 PolarHBondContact O-N 3.36Å; S156-N159 WeakPolarHBondContact O-CB 3.46Å; S156-N159 PolarHBondContact O-N 2.97Å
157	F	69.7	Low	62.9	Low	66 Å²	66	119.8 Å²	119.8	29%	0.289	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-59.4	-25.7	172.7	72.4	-88.9	0	0	0	113.3	D154 Y155 N159 L160 R165 L168 F169	D154-F157 VanDerWaalsContact O-CD1 3.27Å; D154-F157 WeakPolarHBondContact O-CD1 3.22Å; D154-F157 WeakPolarHBondContact O-CE1 3.09Å; Y155-F157 HydrophobicContact CD1-CE1 4.16Å; Y155-F157 HydrophobicContact CD1-CZ 4.28Å; Y155-F157 PolarHBondContact O-N 3.37Å; Y155-F157 VanDerWaalsContact O-N 3.08Å; F157-N159 VanDerWaalsContact C-N 3.26Å; F157-N159 PolarHBondContact O-N 2.97Å; F157-L160 WeakPolarHBondContact O-CB 3.4Å; F157-L160 PolarHBondContact O-N 3.18Å; F157-R165 HydrophobicContact CD2-CG 4.32Å; F157-R165 WeakPolarHBondContact O-CD 3.38Å; F157-R165 WeakPolarHBondContact O-CG 3.41Å; F157-R165 PolarHBondContact O-NE 3.23Å; F157-L168 HydrophobicContact CB-CD1 4Å; F157-F169 HydrophobicContact CD2-CE2 4.33Å; F157-F169 HydrophobicContact CD2-CZ 4.24Å; F157-F169 HydrophobicContact CE2-CZ 4.22Å
158	M	67.5	Low	64	Low	99 Å²	99	116.4 Å²	116.4	49%	0.488	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-70.5	-21.8	176.2	-68.4	-69.9	-81.8	0	0	113.2	Y155 S156 L160 R165	Y155-M158 VanDerWaalsContact O-CB 3.25Å; Y155-M158 WeakPolarHBondContact O-CB 3.15Å; Y155-M158 PolarHBondContact O-N 3.48Å; S156-M158 PolarHBondContact O-N 3.36Å; M158-L160 VanDerWaalsContact C-N 3.3Å; M158-R165 PolarHBondContact O-NH2 3.3Å; M158-R165 PolarHBondContact SD-NH1 2.94Å; M158-R165 VanDerWaalsContact SD-NH1 3.35Å
159	N	76.2	Confident	64.9	Low	139 Å²	139	119.8 Å²	119.8	74%	0.743	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-77.4	-17.4	174	-61	-37	0	0	0	112.3	S156 F157	S156-N159 WeakPolarHBondContact O-CB 3.46Å; S156-N159 PolarHBondContact O-N 2.97Å; F157-N159 VanDerWaalsContact C-N 3.26Å; F157-N159 PolarHBondContact O-N 2.97Å
160	L	73.2	Confident	65.3	Low	65 Å²	65	118.4 Å²	118.4	34%	0.34	58%	0.575	S	S	.	*	S	Bend	trans	-72.3	144.4	178.2	-63.3	173.2	0	0	0	112	F157 M158 E164 R165 L168	F157-L160 WeakPolarHBondContact O-CB 3.4Å; F157-L160 PolarHBondContact O-N 3.18Å; M158-L160 VanDerWaalsContact C-N 3.3Å; L160-E164 HydrophobicContact CB-CB 4.39Å; L160-R165 HydrophobicContact CB-CG 4.3Å; L160-R165 VanDerWaalsContact O-CZ 3.29Å; L160-R165 PolarHBondContact O-NE 2.97Å; L160-R165 PolarHBondContact O-NH2 2.89Å; L160-L168 HydrophobicContact CD1-CD1 4.01Å
161	P	68.9	Low	65	Low	78 Å²	78	116 Å²	116	51%	0.506	57%	0.568	S	S	.	*			trans	-49.7	146.3	167.9	-27.8	34.7	0	0	0	113.1	R163 E164 R165	P161-R163 PolarHBondContact O-N 2.91Å; P161-R163 VanDerWaalsContact O-N 3.07Å; P161-E164 WeakPolarHBondContact CD-OE2 3.47Å; P161-E164 PolarHBondContact O-N 3.08Å; P161-R165 PolarHBondContact O-N 2.98Å
162	V	69.6	Low	64.2	Low	91 Å²	91	112 Å²	112	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-56.8	-31.1	-176.2	-179.6	0	0	0	0	112.8	E164 R166	V162-E164 VanDerWaalsContact C-N 3.29Å; V162-E164 PolarHBondContact O-N 3.41Å; V162-R166 WeakPolarHBondContact O-CG 3.2Å; V162-R166 PolarHBondContact O-N 2.92Å
163	R	65.7	Low	63.2	Low	218 Å²	218	106.1 Å²	106.1	82%	0.823	57%	0.565	S	S	*	*	H	α-helix	trans	-67	-28.1	176.5	-166.3	176.5	-171.6	177.4	3	113.1	P161	P161-R163 PolarHBondContact O-N 2.91Å; P161-R163 VanDerWaalsContact O-N 3.07Å
164	E	68.4	Low	62.3	Low	89 Å²	89	111.1 Å²	111.1	42%	0.416	58%	0.583	S	S	.	*	H	α-helix	trans	-92.7	-41.5	-178	-63.2	-174.9	149	0	0	111.2	L160 P161 V162 R166 K167	L160-E164 HydrophobicContact CB-CB 4.39Å; P161-E164 WeakPolarHBondContact CD-OE2 3.47Å; P161-E164 PolarHBondContact O-N 3.08Å; V162-E164 VanDerWaalsContact C-N 3.29Å; V162-E164 PolarHBondContact O-N 3.41Å; E164-R166 PolarHBondContact O-N 3.39Å; E164-K167 WeakPolarHBondContact O-CB 3.39Å; E164-K167 PolarHBondContact O-N 3.19Å
165	R	73.6	Confident	61.3	Low	64 Å²	64	111.3 Å²	111.3	24%	0.242	59%	0.59	C	S	.	*	H	α-helix	trans	-49.6	-42.7	166.3	-96.6	-177.5	-82.9	-175.4	-9.3	112.3	F157 M158 L160 P161 K167 L168 F169	F157-R165 HydrophobicContact CD2-CG 4.32Å; F157-R165 WeakPolarHBondContact O-CD 3.38Å; F157-R165 WeakPolarHBondContact O-CG 3.41Å; F157-R165 PolarHBondContact O-NE 3.23Å; M158-R165 PolarHBondContact O-NH2 3.3Å; M158-R165 PolarHBondContact SD-NH1 2.94Å; M158-R165 VanDerWaalsContact SD-NH1 3.35Å; L160-R165 HydrophobicContact CB-CG 4.3Å; L160-R165 VanDerWaalsContact O-CZ 3.29Å; L160-R165 PolarHBondContact O-NE 2.97Å; L160-R165 PolarHBondContact O-NH2 2.89Å; P161-R165 PolarHBondContact O-N 2.98Å; R165-K167 VanDerWaalsContact C-N 3.27Å; R165-K167 PolarHBondContact O-N 3.46Å; R165-L168 WeakPolarHBondContact O-CB 3.36Å; R165-L168 PolarHBondContact O-N 3.22Å; R165-L168 VanDerWaalsContact O-N 3.12Å; R165-F169 WeakPolarHBondContact O-CD2 3.27Å
166	R	63.6	Low	60.2	Low	163 Å²	163	109.6 Å²	109.6	62%	0.615	60%	0.597	S	S	*	*	H	α-helix	trans	-59.5	-32.9	176.5	-80.7	-179.8	-177.6	-166	0.5	113.4	V162 E164 L168 F169 L170	V162-R166 WeakPolarHBondContact O-CG 3.2Å; V162-R166 PolarHBondContact O-N 2.92Å; E164-R166 PolarHBondContact O-N 3.39Å; R166-L168 VanDerWaalsContact C-N 3.3Å; R166-L168 PolarHBondContact O-N 3.23Å; R166-F169 PolarHBondContact O-N 3.06Å; R166-L170 HydrophobicContact CB-CD1 4.01Å; R166-L170 HydrophobicContact CG-CD1 4.35Å; R166-L170 WeakPolarHBondContact O-CB 3.31Å; R166-L170 WeakPolarHBondContact O-CD1 3.29Å; R166-L170 PolarHBondContact O-N 2.73Å; R166-L170 VanDerWaalsContact O-N 3.09Å
167	K	68	Low	58.6	Low	154 Å²	154	111.7 Å²	111.7	67%	0.67	61%	0.611	S	S	*	*	H	α-helix	trans	-63.5	-36.8	175.9	-64.7	-179.5	176.3	177.9	0	112	E164 R165 F169 G171	E164-K167 WeakPolarHBondContact O-CB 3.39Å; E164-K167 PolarHBondContact O-N 3.19Å; R165-K167 VanDerWaalsContact C-N 3.27Å; R165-K167 PolarHBondContact O-N 3.46Å; K167-F169 VanDerWaalsContact C-N 3.27Å; K167-F169 PolarHBondContact O-N 2.64Å; K167-G171 PolarHBondContact O-N 3.39Å
168	L	64.5	Low	57.2	Low	100 Å²	100	116.1 Å²	116.1	52%	0.524	64%	0.637	S	S	.	*	H	α-helix	trans	-67.6	-24.2	-179.6	-56.5	176.8	0	0	0	113.4	F157 L160 R165 R166	F157-L168 HydrophobicContact CB-CD1 4Å; L160-L168 HydrophobicContact CD1-CD1 4.01Å; R165-L168 WeakPolarHBondContact O-CB 3.36Å; R165-L168 PolarHBondContact O-N 3.22Å; R165-L168 VanDerWaalsContact O-N 3.12Å; R166-L168 VanDerWaalsContact C-N 3.3Å; R166-L168 PolarHBondContact O-N 3.23Å
169	F	63.3	Low	55.7	Low	148 Å²	148	119.8 Å²	119.8	65%	0.649	65%	0.652	S	S	*	*	H	α-helix	trans	-114.4	0.2	-176.1	-58	-68	0	0	0	114.5	F157 R165 R166 K167	F157-F169 HydrophobicContact CD2-CE2 4.33Å; F157-F169 HydrophobicContact CD2-CZ 4.24Å; F157-F169 HydrophobicContact CE2-CZ 4.22Å; R165-F169 WeakPolarHBondContact O-CD2 3.27Å; R166-F169 PolarHBondContact O-N 3.06Å; K167-F169 VanDerWaalsContact C-N 3.27Å; K167-F169 PolarHBondContact O-N 2.64Å
170	L	57.3	Low	53.7	Low	143 Å²	143	125.6 Å²	125.6	75%	0.749	66%	0.664	S	S	*	*	H	α-helix	trans	-116.4	-3	177	-79	149.2	0	0	0	113.5	R166	R166-L170 HydrophobicContact CB-CD1 4.01Å; R166-L170 HydrophobicContact CG-CD1 4.35Å; R166-L170 WeakPolarHBondContact O-CB 3.31Å; R166-L170 WeakPolarHBondContact O-CD1 3.29Å; R166-L170 PolarHBondContact O-N 2.73Å; R166-L170 VanDerWaalsContact O-N 3.09Å
171	G	44	Very low	51.7	Low	50 Å²	50	125 Å²	125	52%	0.515	67%	0.674	S	S	.	*			trans	-88.5	116.6	166	0	0	0	0	0	110.5	K167 G173	K167-G171 PolarHBondContact O-N 3.39Å; G171-G173 PolarHBondContact O-N 3.1Å
172	G	38.6	Very low	50	Low	99 Å²	99	132 Å²	132	100%	1.021	69%	0.692	S	S	*	*			trans	-74.3	39.2	174.4	0	0	0	0	0	114
173	G	35	Very low	48.2	Very low	60 Å²	60	136 Å²	136	62%	0.619	71%	0.71	S	S	*	*	S	Bend	trans	-108.4	146.5	177.5	0	0	0	0	0	110.8	G171	G171-G173 PolarHBondContact O-N 3.1Å
174	Q	40.7	Very low	46.6	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.883	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-58.6	136.6	176.6	-166.6	172.3	7.2	0	0	110.2
175	P	42.9	Very low	44.8	Very low	108 Å²	108	134.7 Å²	134.7	70%	0.701	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-61	138.9	178.3	25.5	-34.3	0	0	0	110.1	S177	P175-S177 PolarHBondContact O-N 2.8Å
176	P	41	Very low	43	Very low	115 Å²	115	140.3 Å²	140.3	75%	0.747	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-64.7	123.7	-178.2	26.5	-33.8	0	0	0	109.9	I178	P176-I178 PolarHBondContact O-N 2.86Å; P176-I178 VanDerWaalsContact O-N 3.1Å
177	S	37.9	Very low	41.7	Very low	107 Å²	107	138 Å²	138	75%	0.748	76%	0.761	S	S	*	*			trans	-67.2	108.2	174.4	45.9	0	0	0	0	109.8	P175 Q179	P175-S177 PolarHBondContact O-N 2.8Å; S177-Q179 PolarHBondContact O-N 2.9Å
178	I	41.7	Very low	40.1	Very low	160 Å²	160	138.5 Å²	138.5	82%	0.821	77%	0.768	S	S	*	*			trans	-69.5	97.9	176.9	-57.7	175.8	0	0	0	108.1	P176 R180	P176-I178 PolarHBondContact O-N 2.86Å; P176-I178 VanDerWaalsContact O-N 3.1Å; I178-R180 PolarHBondContact O-N 2.79Å
179	Q	35.5	Very low	38.6	Very low	175 Å²	175	139.9 Å²	139.9	82%	0.818	78%	0.783	S	S	*	*			trans	-64.8	126	169.7	-69.6	-175.7	-13.2	0	0	108.9	S177 G181	S177-Q179 PolarHBondContact O-N 2.9Å; Q179-G181 PolarHBondContact O-N 2.89Å
180	R	35	Very low	37.2	Very low	261 Å²	261	143.6 Å²	143.6	99%	0.985	79%	0.793	S	S	*	*			trans	-65.2	105.4	173.6	-75.7	-176.4	172.1	-168.3	-2.3	109.5	I178	I178-R180 PolarHBondContact O-N 2.79Å
181	G	29.8	Very low	35.8	Very low	54 Å²	54	146.7 Å²	146.7	56%	0.557	80%	0.8	S	S	*	*			trans	-173.6	140	174.3	0	0	0	0	0	113	Q179	Q179-G181 PolarHBondContact O-N 2.89Å
182	Y	33.3	Very low	35.1	Very low	223 Å²	223	154.3 Å²	154.3	88%	0.875	81%	0.813	S	S	*	*			trans	69.3	111.7	171.2	-56.4	-75.1	0	0	0	118.2	H184	Y182-H184 PolarHBondContact O-N 2.99Å
183	L	32.4	Very low	34.5	Very low	177 Å²	177	155.6 Å²	155.6	93%	0.927	80%	0.797	S	S	*	*			trans	-69.3	87.2	175.9	-65.9	119.1	0	0	0	112.6
184	H	32.5	Very low	34.3	Very low	178 Å²	178	159.2 Å²	159.2	82%	0.824	80%	0.802	S	S	*	*			trans	-125.1	131.7	166.9	-74	-14.8	0	0	0	111.7	Y182	Y182-H184 PolarHBondContact O-N 2.99Å
185	S	30	Very low	33.7	Very low	101 Å²	101	155.5 Å²	155.5	71%	0.706	79%	0.792	S	S	*	*			trans	-83.8	124.3	-166.4	48.8	0	0	0	0	113.1	T187	S185-T187 PolarHBondContact O-N 2.89Å
186	L	36.7	Very low	33	Very low	181 Å²	181	156.6 Å²	156.6	95%	0.948	79%	0.792	S	S	*	*			trans	-78.7	39.8	167.5	-70.6	174.1	0	0	0	112.7	M188	L186-M188 PolarHBondContact O-N 2.93Å
187	T	36.3	Very low	32.4	Very low	114 Å²	114	158.8 Å²	158.8	70%	0.699	80%	0.797	S	S	*	*			trans	-78.6	105.6	166.2	-56.4	0	0	0	0	107.7	S185	S185-T187 PolarHBondContact O-N 2.89Å
188	M	34.4	Very low	32	Very low	166 Å²	166	161.4 Å²	161.4	82%	0.818	80%	0.796	S	S	*	*			trans	-54.6	138.6	178.4	-71.3	-144.3	-59.7	0	0	111.5	L186 R190	L186-M188 PolarHBondContact O-N 2.93Å; M188-R190 PolarHBondContact O-N 2.96Å
189	P	32.6	Very low	31.6	Very low	129 Å²	129	161.8 Å²	161.8	84%	0.838	79%	0.793	S	S	*	*			trans	-62.7	106.9	-177.3	24.6	-33.7	0	0	0	110.5	K191	P189-K191 PolarHBondContact O-N 2.77Å; P189-K191 VanDerWaalsContact O-N 3.12Å
190	R	33.4	Very low	31.4	Very low	225 Å²	225	159.5 Å²	159.5	85%	0.849	79%	0.787	S	S	*	*			trans	-66.5	109.5	180	-169.9	178.5	-168.5	168.2	3.7	108.9	M188 R192	M188-R190 PolarHBondContact O-N 2.96Å; R190-R192 PolarHBondContact O-N 2.83Å
191	K	29	Very low	31.1	Very low	209 Å²	209	157 Å²	157	91%	0.909	78%	0.778	S	S	*	*			trans	-57.1	104.1	178.7	-160.7	-176.8	-172.5	-171.5	0	109.6	P189	P189-K191 PolarHBondContact O-N 2.77Å; P189-K191 VanDerWaalsContact O-N 3.12Å
192	R	28.5	Very low	31	Very low	210 Å²	210	165.4 Å²	165.4	79%	0.792	79%	0.794	S	S	*	*			trans	-97.5	118	178.1	-96.8	-175.8	163.5	169.6	-5	109.7	R190	R190-R192 PolarHBondContact O-N 2.83Å
193	N	26.9	Very low	31	Very low	125 Å²	125	163.1 Å²	163.1	67%	0.668	79%	0.791	S	S	*	*			trans	60.9	175.2	149.4	-44.4	12	0	0	0	116.2
194	D	30.4	Very low	31	Very low	137 Å²	137	162 Å²	162	73%	0.733	79%	0.792	S	S	*	*			cis	-136.6	157.5	0.4	-82.5	-68.9	0	0	0	106.7
195	V	28.4	Very low	30.7	Very low	110 Å²	110	159.6 Å²	159.6	67%	0.667	78%	0.781	S	S	*	*			cis	-160	173.2	-4	113.1	0	0	0	0	109.2
196	N	26.7	Very low	30.9	Very low	132 Å²	132	160.7 Å²	160.7	71%	0.706	79%	0.789	S	S	*	*			trans	50.6	99.2	167	-70.2	-13.1	0	0	0	119.5
197	N	29.8	Very low	30.6	Very low	161 Å²	161	159.3 Å²	159.3	86%	0.861	78%	0.777	S	S	*	*				-149.9	150.1	115.8	-142.4	-17.1	0	0	0	111.2
198	F	29.2	Very low	30.2	Very low	162 Å²	162	164.9 Å²	164.9	71%	0.711	79%	0.787	S	S	*	*			trans	-90.2	126.7	-172	-67.4	-106.3	0	0	0	111.5
199	H	32.6	Very low	29.9	Very low	167 Å²	167	160.7 Å²	160.7	77%	0.773	79%	0.787	S	S	*	*				177.2	149	113.6	-95.2	81.4	0	0	0	113.7
200	N	31	Very low	29.8	Very low	127 Å²	127	157.2 Å²	157.2	68%	0.679	78%	0.775	S	S	*	*			trans	-0.8	131	161.2	-60.6	-22.8	0	0	0	119.4
201	R	29.7	Very low	29.6	Very low	210 Å²	210	152 Å²	152	79%	0.792	77%	0.768	S	S	*	*				66.1	108	64.5	-72.3	-175.3	178	174.4	1.6	114.6
202	Y	28.4	Very low	29.6	Very low	230 Å²	230	148.6 Å²	148.6	90%	0.902	76%	0.759	S	S	*	*			trans	44.4	74.8	146.4	-58.2	-73.7	0	0	0	119.1
203	E	32.7	Very low	29.9	Very low	175 Å²	175	146.4 Å²	146.4	82%	0.818	76%	0.763	S	S	*	*			trans	-122	99	158.9	-74.5	-178.5	167.5	0	0	110.8	Q205	E203-Q205 VanDerWaalsContact C-N 3.3Å; E203-Q205 PolarHBondContact O-N 2.71Å
204	T	31.4	Very low	30.1	Very low	152 Å²	152	148 Å²	148	93%	0.933	77%	0.772	S	S	*	*			trans	-94.9	60	162.9	52.5	0	0	0	0	109.6
205	Q	27.8	Very low	30	Very low	129 Å²	129	150.9 Å²	150.9	60%	0.603	78%	0.779	S	S	*	*			trans	-128.6	115.4	171.2	-83.8	-177.4	-46.2	0	0	109.8	E203 E207	E203-Q205 VanDerWaalsContact C-N 3.3Å; E203-Q205 PolarHBondContact O-N 2.71Å; Q205-E207 HydrophobicContact CB-CG 4.42Å; Q205-E207 HydrophobicContact CG-CG 4.33Å; Q205-E207 VanDerWaalsContact NE2-CD 3.26Å; Q205-E207 PolarHBondContact NE2-OE1 2.87Å
206	S	32.6	Very low	30.1	Very low	124 Å²	124	149.5 Å²	149.5	87%	0.867	79%	0.786	S	S	*	*			trans	-107.7	60.5	157.3	64.6	0	0	0	0	108.1	Y208	S206-Y208 PolarHBondContact O-N 3.4Å
207	E	31.2	Very low	30.1	Very low	152 Å²	152	155 Å²	155	71%	0.71	80%	0.797	S	S	*	*			trans	-74	113.3	171.7	-72	-171.6	-176.1	0	0	108.6	Q205 G209	Q205-E207 HydrophobicContact CB-CG 4.42Å; Q205-E207 HydrophobicContact CG-CG 4.33Å; Q205-E207 VanDerWaalsContact NE2-CD 3.26Å; Q205-E207 PolarHBondContact NE2-OE1 2.87Å; E207-G209 VanDerWaalsContact C-N 3.29Å; E207-G209 PolarHBondContact O-N 2.84Å
208	Y	28.5	Very low	29.9	Very low	230 Å²	230	155 Å²	155	90%	0.902	80%	0.797	S	S	*	*			trans	-80.1	80.9	-180	-167.7	-89.8	0	0	0	109.4	S206	S206-Y208 PolarHBondContact O-N 3.4Å
209	G	27.1	Very low	30	Very low	79 Å²	79	151 Å²	151	81%	0.814	79%	0.794	S	S	*	*			trans	-120.1	45.8	-173.9	0	0	0	0	0	113.7	E207	E207-G209 VanDerWaalsContact C-N 3.29Å; E207-G209 PolarHBondContact O-N 2.84Å
210	G	30.1	Very low	29.8	Very low	56 Å²	56	148.8 Å²	148.8	58%	0.577	80%	0.795	S	S	*	*			trans	-119.3	113.1	173.9	0	0	0	0	0	110.9
211	T	29	Very low	29.7	Very low	116 Å²	116	150.3 Å²	150.3	71%	0.712	80%	0.801	S	S	*	*			trans	-75	179	165.4	50.7	0	0	0	0	110.2
212	D	30.5	Very low	29.7	Very low	136 Å²	136	145.8 Å²	145.8	73%	0.727	80%	0.797	S	S	*	*			trans	62.8	76.5	161.8	-35.9	-39.5	0	0	0	115.5
213	N	34.9	Very low	29.7	Very low	164 Å²	164	139.5 Å²	139.5	88%	0.877	78%	0.784	S	S	*	*			trans	-170.7	113	131.4	-100.1	-57.1	0	0	0	113.7	F215	N213-F215 VanDerWaalsContact C-N 3.29Å; N213-F215 PolarHBondContact O-N 2.93Å
214	N	31	Very low	29.3	Very low	160 Å²	160	137.5 Å²	137.5	86%	0.856	78%	0.784	S	S	*	*	S	Bend	trans	-39.1	48.4	176.6	-162.4	39.4	0	0	0	120.2
215	F	27.8	Very low	29.3	Very low	197 Å²	197	140.9 Å²	140.9	86%	0.864	78%	0.78	S	S	*	*			trans	-136.8	75.1	166.2	-93.2	-81.7	0	0	0	110.8	N213 W217	N213-F215 VanDerWaalsContact C-N 3.29Å; N213-F215 PolarHBondContact O-N 2.93Å; F215-W217 PolarHBondContact O-N 3.06Å
216	G	29.2	Very low	29.2	Very low	80 Å²	80	139.4 Å²	139.4	83%	0.825	79%	0.79	S	S	*	*			trans	-68.4	111.4	-178.1	0	0	0	0	0	112.9
217	W	27.7	Very low	28.9	Very low	247 Å²	247	143 Å²	143	94%	0.936	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-74	128.4	153.2	-74.1	85.1	0	0	0	108.4	F215 A219	F215-W217 PolarHBondContact O-N 3.06Å; W217-A219 PolarHBondContact O-N 3.23Å
218	D	26.6	Very low	28.5	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-55.6	137.4	179.2	-77.1	-55.6	0	0	0	111.8
219	A	30.3	Very low	28.6	Very low	79 Å²	79	138.6 Å²	138.6	65%	0.653	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-60	142	176.3	0	0	0	0	0	110.7	W217 I221	W217-A219 PolarHBondContact O-N 3.23Å; A219-I221 PolarHBondContact O-N 3.11Å
220	P	29	Very low	28.4	Very low	121 Å²	121	146.4 Å²	146.4	79%	0.786	78%	0.781	S	S	*	*			trans	-62.5	109.4	-178.6	25.2	-34	0	0	0	110.4	T222	P220-T222 PolarHBondContact O-N 3.22Å
221	I	28.4	Very low	28.5	Very low	158 Å²	158	148.6 Å²	148.6	81%	0.81	79%	0.787	S	S	*	*			trans	-64.9	99.6	179.7	-58.3	173.5	0	0	0	108.8	A219 P223	A219-I221 PolarHBondContact O-N 3.11Å; I221-P223 VanDerWaalsContact O-CD 3.27Å; I221-P223 WeakPolarHBondContact O-CD 3.41Å
222	T	29	Very low	28.4	Very low	116 Å²	116	148.9 Å²	148.9	71%	0.712	79%	0.789	S	S	*	*			trans	-73.1	115.3	169.4	27.3	0	0	0	0	109.4	P220 T224	P220-T222 PolarHBondContact O-N 3.22Å; T222-T224 PolarHBondContact O-N 2.89Å
223	P	29.6	Very low	28.2	Very low	97 Å²	97	149.8 Å²	149.8	63%	0.63	79%	0.793	S	S	*	*			trans	-71.9	99.8	174.6	29.6	-33.4	0	0	0	109.1	I221 W225	I221-P223 VanDerWaalsContact O-CD 3.27Å; I221-P223 WeakPolarHBondContact O-CD 3.41Å; P223-W225 VanDerWaalsContact C-N 3.29Å; P223-W225 VanDerWaalsContact O-CD1 3.3Å; P223-W225 PolarHBondContact O-N 2.82Å
224	T	24.6	Very low	28	Very low	133 Å²	133	149.1 Å²	149.1	82%	0.816	80%	0.796	S	S	*	*			trans	-70	85.7	171.9	50.1	0	0	0	0	110	T222 A226	T222-T224 PolarHBondContact O-N 2.89Å; T224-A226 PolarHBondContact O-N 3.06Å; T224-A226 VanDerWaalsContact O-N 3.1Å
225	W	30.2	Very low	27.8	Very low	223 Å²	223	146.7 Å²	146.7	85%	0.845	79%	0.791	S	S	*	*			trans	-65.2	107.2	166.3	-69.4	93.9	0	0	0	108.8	P223 R227	P223-W225 VanDerWaalsContact C-N 3.29Å; P223-W225 VanDerWaalsContact O-CD1 3.3Å; P223-W225 PolarHBondContact O-N 2.82Å; W225-R227 PolarHBondContact O-N 3.05Å
226	A	24.8	Very low	27.8	Very low	98 Å²	98	146.3 Å²	146.3	81%	0.81	79%	0.792	S	S	*	*			trans	-61	110.8	172.1	0	0	0	0	0	108.6	T224 E228	T224-A226 PolarHBondContact O-N 3.06Å; T224-A226 VanDerWaalsContact O-N 3.1Å; A226-E228 PolarHBondContact O-N 3.08Å
227	R	26.7	Very low	27.7	Very low	200 Å²	200	147.8 Å²	147.8	76%	0.755	79%	0.787	S	S	*	*			trans	-69.3	101.3	175.9	-170.1	-177.4	-167.7	-161.9	6.7	107.9	W225 N229	W225-R227 PolarHBondContact O-N 3.05Å; R227-N229 VanDerWaalsContact CD-OD1 3.27Å; R227-N229 WeakPolarHBondContact CD-OD1 3.23Å; R227-N229 WeakPolarHBondContact CG-OD1 3.34Å; R227-N229 PolarHBondContact O-N 2.91Å
228	E	24.4	Very low	27.8	Very low	186 Å²	186	142.7 Å²	142.7	87%	0.869	78%	0.783	S	S	*	*			trans	-67.7	84.6	171.2	-167.4	174.9	-117.2	0	0	108.5	A226 R230	A226-E228 PolarHBondContact O-N 3.08Å; E228-R230 PolarHBondContact O-N 2.91Å; E228-R230 VanDerWaalsContact O-N 3.11Å
229	N	28.9	Very low	28	Very low	103 Å²	103	144.1 Å²	144.1	55%	0.551	78%	0.781	S	S	*	*			trans	-63.7	113.1	178.5	-71.6	-38.5	0	0	0	108.2	R227 S231	R227-N229 VanDerWaalsContact CD-OD1 3.27Å; R227-N229 WeakPolarHBondContact CD-OD1 3.23Å; R227-N229 WeakPolarHBondContact CG-OD1 3.34Å; R227-N229 PolarHBondContact O-N 2.91Å; N229-S231 PolarHBondContact O-N 2.8Å
230	R	24.5	Very low	27.8	Very low	244 Å²	244	145.7 Å²	145.7	92%	0.921	79%	0.787	S	S	*	*			trans	-69	71.2	156.8	-72.5	-174.6	177.9	172.1	0.7	109.1	E228 T232	E228-R230 PolarHBondContact O-N 2.91Å; E228-R230 VanDerWaalsContact O-N 3.11Å; R230-T232 PolarHBondContact O-N 2.97Å
231	S	31.2	Very low	27.8	Very low	101 Å²	101	151.8 Å²	151.8	71%	0.706	80%	0.795	S	S	*	*			trans	-68.9	117.4	171	51.5	0	0	0	0	109	N229	N229-S231 PolarHBondContact O-N 2.8Å
232	T	27	Very low	27.7	Very low	123 Å²	123	149.3 Å²	149.3	76%	0.755	79%	0.791	S	S	*	*			trans	-63.7	134	171.5	46.8	0	0	0	0	111.1	R230	R230-T232 PolarHBondContact O-N 2.97Å
233	N	26.2	Very low	27.5	Very low	154 Å²	154	149.9 Å²	149.9	82%	0.824	80%	0.795	S	S	*	*			trans	59.7	91	154.1	-54.7	-7.7	0	0	0	118.1
234	T	30.4	Very low	27.5	Very low	151 Å²	151	153.7 Å²	153.7	93%	0.926	80%	0.801	S	S	*	*			trans	-137.3	146.3	136.9	3.7	0	0	0	0	109.9
235	S	28.3	Very low	27.5	Very low	108 Å²	108	153.8 Å²	153.8	76%	0.755	80%	0.802	S	S	*	*			trans	-99	136.2	-170.9	49.7	0	0	0	0	112.7
236	E	26.9	Very low	27.4	Very low	190 Å²	190	151.4 Å²	151.4	89%	0.888	80%	0.798	S	S	*	*				-173.5	162.8	117	-89.8	-136.8	147.8	0	0	111.1
237	P	27.6	Very low	27.5	Very low	110 Å²	110	152 Å²	152	71%	0.714	80%	0.796	S	S	*	*			trans	-118.4	142.7	-147.6	38.9	-29.2	0	0	0	117.4
238	V	29.9	Very low	27.4	Very low	140 Å²	140	150.8 Å²	150.8	85%	0.848	80%	0.804	S	S	*	*			trans	-134.4	96.3	160.9	-173.1	0	0	0	0	112.8
239	K	30.4	Very low	27.4	Very low	192 Å²	192	147.4 Å²	147.4	84%	0.835	80%	0.8	S	S	*	*			trans	53.8	65.5	145.2	-62	-178.6	178.1	175.6	0	120.9
240	S	25.4	Very low	27.4	Very low	111 Å²	111	149.1 Å²	149.1	78%	0.776	82%	0.815	S	S	*	*				38.5	109.1	118	64.6	0	0	0	0	122.7
241	R	29.1	Very low	27.4	Very low	250 Å²	250	141 Å²	141	94%	0.943	81%	0.807	S	S	*	*				177.6	141	126.6	-111.2	-177.6	169.4	179.3	-2.3	108.9
242	S	27.8	Very low	27.4	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	82%	0.815	S	S	*	*			cis	-144.3	150.3	-4.8	-174.9	0	0	0	0	109
243	T	24.8	Very low	27.6	Very low	128 Å²	128	142.6 Å²	142.6	79%	0.785	82%	0.82	S	S	*	*			trans	-68.4	139.7	170.5	37.4	0	0	0	0	111.9
244	K	29.4	Very low	27.6	Very low	178 Å²	178	143.3 Å²	143.3	77%	0.774	82%	0.818	S	S	*	*			trans	-149.5	115.1	143.4	-82.3	-149.9	174.7	-173	0	110.5	F246	K244-F246 HydrophobicContact CB-CE2 4.34Å
245	T	24.2	Very low	27.6	Very low	134 Å²	134	145.3 Å²	145.3	82%	0.822	81%	0.814	S	S	*	*			trans	-72.4	148	164.8	-22.4	0	0	0	0	109.5
246	F	28.3	Very low	27.4	Very low	174 Å²	174	145.3 Å²	145.3	76%	0.763	81%	0.814	S	S	*	*			trans	-124.2	100.9	164.7	-71.7	-76	0	0	0	109.4	K244	K244-F246 HydrophobicContact CB-CE2 4.34Å
247	S	25.6	Very low	27.4	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	82%	0.816	S	S	*	*			trans	-77.6	129.1	165.5	36.7	0	0	0	0	109.3	S249	S247-S249 PolarHBondContact O-N 3.32Å
248	L	24.7	Very low	27.4	Very low	174 Å²	174	148.6 Å²	148.6	91%	0.911	82%	0.817	S	S	*	*			trans	-83.5	111.2	166	-72.3	90.8	0	0	0	108.2
249	S	26.1	Very low	27.1	Very low	114 Å²	114	148.3 Å²	148.3	80%	0.797	81%	0.807	S	S	*	*			trans	-117.7	137.2	168.3	-174.9	0	0	0	0	108.8	S247	S247-S249 PolarHBondContact O-N 3.32Å
250	T	27	Very low	26.9	Very low	140 Å²	140	145.1 Å²	145.1	86%	0.859	80%	0.795	S	S	*	*			trans	-118.9	116.1	-176.8	50.5	0	0	0	0	110.2
251	G	26.5	Very low	27.1	Very low	73 Å²	73	147.5 Å²	147.5	75%	0.753	79%	0.791	S	S	*	*			trans	154.6	135.3	175.3	0	0	0	0	0	112
252	P	30.6	Very low	27	Very low	134 Å²	134	140.3 Å²	140.3	87%	0.87	78%	0.775	S	S	*	*			trans	-101	148.3	-176.2	37.2	-32.6	0	0	0	113.3
253	S	31.4	Very low	27.1	Very low	124 Å²	124	142.4 Å²	142.4	87%	0.867	77%	0.774	S	S	*	*			trans	-151.8	150.9	154.8	63.3	0	0	0	0	111.3
254	E	25.8	Very low	27.2	Very low	169 Å²	169	145 Å²	145	79%	0.79	77%	0.77	S	S	*	*			trans	-94	141.5	-177.2	-49.5	166.3	137.9	0	0	110.8
255	K	29.5	Very low	27.2	Very low	193 Å²	193	142.8 Å²	142.8	84%	0.839	77%	0.771	S	S	*	*				167.4	144.7	115.3	-90.6	156.5	-173	174.2	0	112.5
256	S	24.1	Very low	27.3	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	77%	0.769	S	S	*	*			trans	-93.3	141.4	173.6	53.3	0	0	0	0	111.7
257	F	27.6	Very low	27.4	Very low	213 Å²	213	135.9 Å²	135.9	93%	0.934	77%	0.767	S	S	*	*			trans	-141.6	159.2	154.7	-103	-78.7	0	0	0	111.1
258	Q	27.1	Very low	27.8	Very low	157 Å²	157	136.7 Å²	136.7	73%	0.734	77%	0.77	S	S	*	*			trans	-117	152	-166.3	-80.4	-172.6	-28.9	0	0	113.2
259	Q	24.8	Very low	28.1	Very low	134 Å²	134	133.9 Å²	133.9	63%	0.626	76%	0.762	S	S	*	*			trans	66.2	127	135.2	-75.2	177.2	-9.7	0	0	123.4
260	Q	25.6	Very low	28.3	Very low	125 Å²	125	134 Å²	134	58%	0.584	76%	0.762	S	S	*	*				75.3	162.9	126.1	-64.1	163.6	-15.8	0	0	118.1
261	F	28.7	Very low	28.7	Very low	160 Å²	160	133.3 Å²	133.3	70%	0.702	76%	0.761	S	S	*	*			cis	-126.2	157.5	5.1	-77.6	-89	0	0	0	110.1
262	T	27.9	Very low	28.7	Very low	100 Å²	100	140.8 Å²	140.8	61%	0.613	77%	0.766	S	S	*	*				67.5	126.9	57	-27.9	0	0	0	0	112.3
263	Q	30.2	Very low	28.6	Very low	149 Å²	149	145.3 Å²	145.3	70%	0.696	77%	0.767	S	S	*	*				-173	165	81.2	-76.7	-179.7	25.6	0	0	109
264	Y	25.5	Very low	28.3	Very low	182 Å²	182	145.7 Å²	145.7	71%	0.714	76%	0.759	S	S	*	*			cis	-146.7	-152.7	-12.9	-111.2	147.1	0	0	0	107.9
265	V	29.4	Very low	28.7	Very low	131 Å²	131	146.2 Å²	146.2	79%	0.794	76%	0.762	S	S	*	*			cis	-144.9	120	19.2	171.7	0	0	0	0	106.9
266	A	28.2	Very low	28.8	Very low	93 Å²	93	144.2 Å²	144.2	77%	0.769	76%	0.76	S	S	*	*				66.8	131.2	92.7	0	0	0	0	0	115.5
267	G	28.6	Very low	29.6	Very low	71 Å²	71	144.5 Å²	144.5	73%	0.732	76%	0.76	S	S	*	*			cis	-173.9	-151.4	-1	0	0	0	0	0	109.2
268	P	33.7	Very low	30.1	Very low	128 Å²	128	140.2 Å²	140.2	83%	0.831	75%	0.754	S	S	*	*			cis	-125.5	175.2	-22.2	40.8	-26.5	0	0	0	113
269	P	33	Very low	30	Very low	115 Å²	115	137.2 Å²	137.2	75%	0.747	76%	0.756	S	S	*	*			trans	-124.9	167.9	-175.1	41.4	-29.8	0	0	0	117.4
270	S	29.1	Very low	30.3	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	77%	0.766	S	S	*	*			trans	75.9	162	157.2	-73	0	0	0	0	118
271	P	36.1	Very low	30.4	Very low	127 Å²	127	134.6 Å²	134.6	83%	0.825	77%	0.772	S	S	*	*			cis	-128.9	-179	18.3	42.8	-26.5	0	0	0	118.2
272	R	25.4	Very low	30.3	Very low	230 Å²	230	133.7 Å²	133.7	87%	0.868	77%	0.774	S	S	*	*			trans	-85.8	159.4	179.6	-56.6	168.9	173.6	168.3	-4.7	112.5
273	Y	28.8	Very low	30.3	Very low	229 Å²	229	140.4 Å²	140.4	90%	0.898	79%	0.79	S	S	*	*			trans	-139.8	163.2	133.2	-114.3	-83.1	0	0	0	110.7
274	N	26.2	Very low	30	Very low	131 Å²	131	141.8 Å²	141.8	70%	0.701	79%	0.794	S	S	*	*			trans	-138	128.8	-161.8	-171.3	38.6	0	0	0	111.1
275	Q	33.3	Very low	30.1	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	80%	0.801	S	S	*	*			trans	-175.1	173.5	157.3	-105.8	149.7	106.4	0	0	112.6
276	N	31.1	Very low	29.8	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	80%	0.799	S	S	*	*			trans	-105.4	161.3	-148.7	-77.8	-27.9	0	0	0	116.7
277	P	40.7	Very low	29.8	Very low	113 Å²	113	143.6 Å²	143.6	73%	0.734	80%	0.804	S	S	*	*			trans	-83	-167.9	174.9	40.9	-41.6	0	0	0	111.6
278	P	37.8	Very low	29.6	Very low	124 Å²	124	148.9 Å²	148.9	81%	0.805	81%	0.809	S	S	*	*			cis	-143.8	-176.5	9.3	45.3	-27	0	0	0	117.8
279	A	26.9	Very low	29.5	Very low	94 Å²	94	147.8 Å²	147.8	78%	0.777	80%	0.802	S	S	*	*				175.2	146	127.7	0	0	0	0	0	115.3
280	A	29.3	Very low	29.2	Very low	101 Å²	101	152.5 Å²	152.5	84%	0.835	81%	0.811	S	S	*	*			trans	37.9	130.2	149.6	0	0	0	0	0	121.2
281	S	28.9	Very low	29	Very low	103 Å²	103	152 Å²	152	72%	0.72	81%	0.807	S	S	*	*			cis	-176	160	35.9	59.7	0	0	0	0	113.5
282	N	26.2	Very low	28.5	Very low	141 Å²	141	152.7 Å²	152.7	75%	0.754	80%	0.804	S	S	*	*			trans	30.3	116.4	147.2	-56.1	-13.1	0	0	0	122.1
283	Y	27.4	Very low	28.5	Very low	241 Å²	241	148.6 Å²	148.6	95%	0.945	80%	0.799	S	S	*	*				-145.6	145	124.7	-103.3	-76.8	0	0	0	110.3
284	F	25.4	Very low	28.5	Very low	178 Å²	178	149.1 Å²	149.1	78%	0.781	80%	0.8	S	S	*	*			trans	-80	148.5	178.9	-89	-104.5	0	0	0	112.2
285	N	27.2	Very low	28.5	Very low	161 Å²	161	150.7 Å²	150.7	86%	0.861	80%	0.803	S	S	*	*			trans	-154.2	130.3	140.4	-131.1	-33.2	0	0	0	112
286	N	23.5	Very low	28.2	Very low	140 Å²	140	150 Å²	150	75%	0.749	81%	0.805	S	S	*	*			trans	-97.3	118.3	-176.8	-84.8	-20.8	0	0	0	111.1
287	V	27.1	Very low	28	Very low	142 Å²	142	152 Å²	152	86%	0.861	80%	0.803	S	S	*	*			trans	-140.1	109.9	158.5	-172.9	0	0	0	0	111.3
288	Q	25.1	Very low	27.4	Very low	182 Å²	182	151 Å²	151	85%	0.85	80%	0.796	S	S	*	*			trans	-118.2	162.5	155.8	-107.3	-164.6	-5.5	0	0	107.8
289	P	30.6	Very low	26.9	Very low	105 Å²	105	153.5 Å²	153.5	68%	0.682	80%	0.797	S	S	*	*			cis	-123.8	168.7	-35.6	37.4	-25	0	0	0	110.8
290	K	27.3	Very low	26.7	Very low	215 Å²	215	159.4 Å²	159.4	94%	0.935	80%	0.801	S	S	*	*			trans	-138.6	102	163.2	-79.5	-167.8	177.4	177.8	0	112.5
291	S	25.3	Very low	26.4	Very low	104 Å²	104	159 Å²	159	73%	0.727	79%	0.792	S	S	*	*			trans	-83.8	135.4	157	47	0	0	0	0	109.9
292	N	25.8	Very low	26.3	Very low	142 Å²	142	158.5 Å²	158.5	76%	0.759	79%	0.794	S	S	*	*				177.6	134.2	127.3	-91.5	-23.1	0	0	0	113.5
293	N	24.6	Very low	26.2	Very low	143 Å²	143	157.1 Å²	157.1	77%	0.765	79%	0.791	S	S	*	*			trans	46.7	100.5	149.8	-64	-29.3	0	0	0	120.3
294	R	28	Very low	26.1	Very low	240 Å²	240	152.2 Å²	152.2	91%	0.906	78%	0.779	S	S	*	*				-141.6	119.6	117.8	-72.2	-157.7	175.7	-176.1	-1.1	112	N296	R294-N296 PolarHBondContact O-N 3.44Å
295	Q	27.2	Very low	26	Very low	164 Å²	164	151.7 Å²	151.7	77%	0.766	78%	0.779	S	S	*	*			trans	28.4	79.3	149.8	-64	174.8	-25.6	0	0	118.5
296	N	27.4	Very low	26	Very low	167 Å²	167	149.8 Å²	149.8	89%	0.893	77%	0.773	S	S	*	*			trans	-85.1	115.8	156.5	-83.4	-12.9	0	0	0	109.8	R294	R294-N296 PolarHBondContact O-N 3.44Å
297	Y	26.5	Very low	26	Very low	192 Å²	192	151.8 Å²	151.8	75%	0.753	78%	0.778	S	S	*	*			trans	-68.9	152.4	167.1	-71.5	-103.8	0	0	0	110.1	Q299	Y297-Q299 PolarHBondContact O-N 3.48Å
298	P	28.9	Very low	25.9	Very low	91 Å²	91	153.6 Å²	153.6	59%	0.591	78%	0.777	S	S	*	*			trans	-65.6	106.8	165.8	28.2	-32.8	0	0	0	109.5	Y300	P298-Y300 HydrophobicContact CB-CD2 4.43Å; P298-Y300 HydrophobicContact CB-CE2 3.94Å; P298-Y300 HydrophobicContact CG-CD2 4.49Å; P298-Y300 HydrophobicContact CG-CE2 3.84Å; P298-Y300 WeakPolarHBondContact O-CD2 3.35Å; P298-Y300 PolarHBondContact O-N 2.77Å
299	Q	25.5	Very low	25.8	Very low	178 Å²	178	150 Å²	150	83%	0.832	77%	0.772	S	S	*	*			trans	-71.3	97.4	171.4	-75.7	-173.5	-60.6	0	0	109.9	Y297 S301	Y297-Q299 PolarHBondContact O-N 3.48Å; Q299-S301 VanDerWaalsContact C-N 3.32Å; Q299-S301 PolarHBondContact O-N 2.86Å
300	Y	23.2	Very low	25.5	Very low	218 Å²	218	153.8 Å²	153.8	86%	0.855	78%	0.78	S	S	*	*			trans	-77.5	81.4	166.8	-66.2	-75.5	0	0	0	110.2	P298	P298-Y300 HydrophobicContact CB-CD2 4.43Å; P298-Y300 HydrophobicContact CB-CE2 3.94Å; P298-Y300 HydrophobicContact CG-CD2 4.49Å; P298-Y300 HydrophobicContact CG-CE2 3.84Å; P298-Y300 WeakPolarHBondContact O-CD2 3.35Å; P298-Y300 PolarHBondContact O-N 2.77Å
301	S	23.8	Very low	25.5	Very low	93 Å²	93	148.5 Å²	148.5	65%	0.65	77%	0.77	S	S	*	*			trans	-110.3	94.1	173	56	0	0	0	0	111.1	Q299	Q299-S301 VanDerWaalsContact C-N 3.32Å; Q299-S301 PolarHBondContact O-N 2.86Å
302	A	26.4	Very low	25.5	Very low	91 Å²	91	150.6 Å²	150.6	75%	0.752	78%	0.779	S	S	*	*			trans	-100.4	70.7	174.6	0	0	0	0	0	110.9	I304	A302-I304 VanDerWaalsContact C-N 3.35Å; A302-I304 PolarHBondContact O-N 2.79Å
303	T	24.3	Very low	25.6	Very low	113 Å²	113	147.1 Å²	147.1	69%	0.693	78%	0.776	S	S	*	*			trans	-76.2	84.7	177.2	-45.7	0	0	0	0	110.3	H305	T303-H305 PolarHBondContact O-N 3.23Å
304	I	25.3	Very low	25.7	Very low	137 Å²	137	148.2 Å²	148.2	70%	0.703	78%	0.782	S	S	*	*			trans	-79.9	105.6	173.4	-58	176.9	0	0	0	108.4	A302 V306	A302-I304 VanDerWaalsContact C-N 3.35Å; A302-I304 PolarHBondContact O-N 2.79Å; I304-V306 PolarHBondContact O-N 2.82Å
305	H	23.3	Very low	25.7	Very low	168 Å²	168	144.9 Å²	144.9	78%	0.778	78%	0.78	S	S	*	*			trans	-70.7	107.5	163.6	-78.5	-91.1	0	0	0	108.8	T303 Q307	T303-H305 PolarHBondContact O-N 3.23Å; H305-Q307 PolarHBondContact O-N 3.2Å
306	V	26.4	Very low	25.7	Very low	121 Å²	121	143.1 Å²	143.1	73%	0.733	78%	0.781	S	S	*	*			trans	-66.7	118.3	163.7	178.7	0	0	0	0	107.1	I304 E308	I304-V306 PolarHBondContact O-N 2.82Å; V306-E308 PolarHBondContact O-N 2.66Å
307	Q	24.1	Very low	25.6	Very low	181 Å²	181	141 Å²	141	85%	0.846	78%	0.78	S	S	*	*			trans	-82.9	93.1	176.4	-171.5	172.6	9.1	0	0	108.5	H305 S309	H305-Q307 PolarHBondContact O-N 3.2Å; Q307-S309 PolarHBondContact O-N 3.48Å; Q307-S309 VanDerWaalsContact O-N 3.11Å
308	E	24.3	Very low	25.6	Very low	181 Å²	181	135.3 Å²	135.3	85%	0.846	78%	0.779	S	S	*	*			trans	-58.6	114.2	173.9	-74	-172.9	129	0	0	110	V306 H310	V306-E308 PolarHBondContact O-N 2.66Å; E308-H310 PolarHBondContact O-N 3.25Å
309	S	23.9	Very low	25.4	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	79%	0.787	S	S	*	*			trans	-99	49.1	-171	50.3	0	0	0	0	112.4	Q307	Q307-S309 PolarHBondContact O-N 3.48Å; Q307-S309 VanDerWaalsContact O-N 3.11Å
310	H	24.6	Very low	25.5	Very low	184 Å²	184	139.4 Å²	139.4	85%	0.852	79%	0.791	S	S	*	*			trans	-119.5	160	175.3	-71.8	-21.4	0	0	0	112.9	E308	E308-H310 PolarHBondContact O-N 3.25Å
311	S	26.7	Very low	25.5	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	78%	0.782	S	S	*	*			trans	-83	159.7	-146.4	52	0	0	0	0	115.8	G313	S311-G313 PolarHBondContact O-N 2.89Å; S311-G313 VanDerWaalsContact O-N 3.13Å
312	T	26.4	Very low	25.7	Very low	149 Å²	149	140.8 Å²	140.8	91%	0.914	80%	0.795	S	S	*	*	S	Bend	trans	-41.6	113.4	158.2	46.7	0	0	0	0	112.2
313	G	26.2	Very low	25.8	Very low	68 Å²	68	139.7 Å²	139.7	70%	0.701	79%	0.792	S	S	*	*			trans	164.1	119.1	174.1	0	0	0	0	0	112	S311 I315	S311-G313 PolarHBondContact O-N 2.89Å; S311-G313 VanDerWaalsContact O-N 3.13Å; G313-I315 PolarHBondContact O-N 2.92Å
314	N	27.2	Very low	26	Very low	167 Å²	167	141 Å²	141	89%	0.893	80%	0.801	S	S	*	*			trans	-64.6	126.3	164.7	-68.2	-28.8	0	0	0	108.7
315	I	29.2	Very low	26.1	Very low	169 Å²	169	139.5 Å²	139.5	87%	0.867	80%	0.802	S	S	*	*			trans	-161.7	145	145.7	-100.9	144.4	0	0	0	110.6	G313	G313-I315 PolarHBondContact O-N 2.92Å
316	T	26.4	Very low	26.4	Very low	127 Å²	127	137.2 Å²	137.2	78%	0.779	80%	0.8	S	S	*	*			trans	-46.7	150.7	-175	-32.5	0	0	0	0	116.7
317	S	25.2	Very low	26.4	Very low	124 Å²	124	139.3 Å²	139.3	87%	0.867	80%	0.795	S	S	*	*	S	Bend	trans	-45.9	133.4	169.1	-46.6	0	0	0	0	113.4
318	G	25.9	Very low	26.7	Very low	72 Å²	72	138.3 Å²	138.3	74%	0.742	79%	0.794	S	S	*	*			trans	165.3	15.3	170.6	0	0	0	0	0	121.4
319	R	25.3	Very low	27	Very low	203 Å²	203	132.2 Å²	132.2	77%	0.766	76%	0.763	S	S	*	*			trans	-160.7	119.3	170.2	-115.2	153.3	179.9	-139.4	-3.4	113.8	Y321	R319-Y321 HydrophobicContact CB-CD2 4.39Å; R319-Y321 HydrophobicContact CB-CE2 4.5Å; R319-Y321 HydrophobicContact CG-CD2 4.18Å; R319-Y321 HydrophobicContact CG-CE2 3.87Å; R319-Y321 PolarHBondContact NH1-OH 3.03Å; R319-Y321 PolarHBondContact NH2-OH 2.77Å
320	V	26.6	Very low	27.1	Very low	151 Å²	151	132.8 Å²	132.8	92%	0.915	77%	0.765	S	S	*	*			trans	-101.2	114.4	163.1	180	0	0	0	0	107.1
321	Y	24.4	Very low	27.4	Very low	166 Å²	166	129.5 Å²	129.5	65%	0.651	76%	0.757	S	S	*	*			trans	-98.8	146.5	170.4	-94	-83.3	0	0	0	110.2	R319 G323	R319-Y321 HydrophobicContact CB-CD2 4.39Å; R319-Y321 HydrophobicContact CB-CE2 4.5Å; R319-Y321 HydrophobicContact CG-CD2 4.18Å; R319-Y321 HydrophobicContact CG-CE2 3.87Å; R319-Y321 PolarHBondContact NH1-OH 3.03Å; R319-Y321 PolarHBondContact NH2-OH 2.77Å; Y321-G323 PolarHBondContact O-N 3Å
322	N	28.1	Very low	27.3	Very low	175 Å²	175	131 Å²	131	94%	0.936	75%	0.751	S	S	*	*			trans	-60.9	127.8	174.7	-82	-28.8	0	0	0	110.8
323	G	27.7	Very low	27.3	Very low	67 Å²	67	132.3 Å²	132.3	69%	0.691	75%	0.746	S	S	*	*			trans	-138.7	137.1	171.6	0	0	0	0	0	110.2	Y321 S325	Y321-G323 PolarHBondContact O-N 3Å; G323-S325 PolarHBondContact O-N 3.36Å
324	T	27.9	Very low	27.3	Very low	142 Å²	142	138.3 Å²	138.3	87%	0.871	75%	0.749	S	S	*	*			trans	-66.1	98.4	-175.7	45.2	0	0	0	0	111.9	T326	T324-T326 PolarHBondContact O-N 2.96Å
325	S	28.6	Very low	27	Very low	104 Å²	104	138 Å²	138	73%	0.727	75%	0.748	S	S	*	*			trans	-82.7	95.8	176.2	-172.6	0	0	0	0	111	G323 R327	G323-S325 PolarHBondContact O-N 3.36Å; S325-R327 PolarHBondContact O-N 2.83Å; S325-R327 VanDerWaalsContact O-N 3.13Å
326	T	29.1	Very low	26.8	Very low	120 Å²	120	134.8 Å²	134.8	74%	0.736	74%	0.74	S	S	*	*			trans	-65.5	106.9	171.8	49.5	0	0	0	0	110.1	T324 I328	T324-T326 PolarHBondContact O-N 2.96Å; T326-I328 PolarHBondContact O-N 2.86Å
327	R	27.4	Very low	26.7	Very low	166 Å²	166	134.3 Å²	134.3	63%	0.626	74%	0.742	S	S	*	*			trans	-73.9	112.8	-179.5	-67.1	-177.7	-179	-152.2	1.8	110.8	S325 Y329	S325-R327 PolarHBondContact O-N 2.83Å; S325-R327 VanDerWaalsContact O-N 3.13Å; R327-Y329 HydrophobicContact CB-CD2 4.05Å; R327-Y329 HydrophobicContact CB-CE2 3.48Å; R327-Y329 VanDerWaalsContact CB-CE2 3.48Å; R327-Y329 WeakPolarHBondContact CD-OH 3.46Å; R327-Y329 VanDerWaalsContact O-CD2 3.29Å; R327-Y329 WeakPolarHBondContact O-CD2 3.14Å; R327-Y329 PolarHBondContact O-N 2.85Å
328	I	29.6	Very low	26.7	Very low	159 Å²	159	133.1 Å²	133.1	82%	0.815	73%	0.734	S	S	*	*			trans	-83.8	100.5	172.6	-58.1	176	0	0	0	108.2	T326	T326-I328 PolarHBondContact O-N 2.86Å
329	Y	30.4	Very low	26.6	Very low	53 Å²	53	134.4 Å²	134.4	21%	0.208	73%	0.731	C	S	.	*			trans	-79.7	137.2	179.2	-72	-86.4	0	0	0	112.1	E71 R327 V331	E71-Y329 VanDerWaalsContact OE2-CE1 3.26Å; E71-Y329 WeakPolarHBondContact OE2-CE1 3.29Å; R327-Y329 HydrophobicContact CB-CD2 4.05Å; R327-Y329 HydrophobicContact CB-CE2 3.48Å; R327-Y329 VanDerWaalsContact CB-CE2 3.48Å; R327-Y329 WeakPolarHBondContact CD-OH 3.46Å; R327-Y329 VanDerWaalsContact O-CD2 3.29Å; R327-Y329 WeakPolarHBondContact O-CD2 3.14Å; R327-Y329 PolarHBondContact O-N 2.85Å; Y329-V331 PolarHBondContact O-N 2.94Å
330	P	26	Very low	26.7	Very low	120 Å²	120	130.7 Å²	130.7	78%	0.779	73%	0.733	S	S	*	*			trans	-70.9	115	173.1	28.9	-32.9	0	0	0	110.3	K332	P330-K332 PolarHBondContact O-N 2.66Å
331	V	30.2	Very low	26.6	Very low	114 Å²	114	130 Å²	130	69%	0.691	73%	0.729	S	S	*	*			trans	-61.4	129.5	172.4	177.4	0	0	0	0	109.2	Y329 Q333	Y329-V331 PolarHBondContact O-N 2.94Å; V331-Q333 PolarHBondContact O-N 3.44Å
332	K	25.8	Very low	26.6	Very low	135 Å²	135	132.4 Å²	132.4	59%	0.587	74%	0.737	S	S	*	*			trans	-61.2	97	168.4	-74.9	169.2	-179.8	155.2	0	108.8	G66 P330 Y334	G66-K332 PolarHBondContact O-NZ 2.97Å; P330-K332 PolarHBondContact O-N 2.66Å; K332-Y334 PolarHBondContact O-N 2.82Å
333	Q	26.3	Very low	26.6	Very low	176 Å²	176	129.4 Å²	129.4	82%	0.822	73%	0.727	S	S	*	*			trans	-66.6	102.8	173.5	-71.8	-175.7	-14.7	0	0	108.9	V331 N335	V331-Q333 PolarHBondContact O-N 3.44Å; Q333-N335 PolarHBondContact O-N 2.78Å
334	Y	25.4	Very low	26.6	Very low	195 Å²	195	134 Å²	134	77%	0.765	73%	0.734	S	S	*	*			trans	-61.4	126.4	160.2	-69.6	-85.6	0	0	0	107.7	K332 S336	K332-Y334 PolarHBondContact O-N 2.82Å; Y334-S336 PolarHBondContact O-N 2.78Å
335	N	22.1	Very low	26.6	Very low	160 Å²	160	133 Å²	133	86%	0.856	73%	0.728	S	S	*	*			trans	-67.2	83.9	173.7	-87.5	-19.5	0	0	0	109.7	Q333 S337	Q333-N335 PolarHBondContact O-N 2.78Å; N335-S337 VanDerWaalsContact C-N 3.31Å; N335-S337 PolarHBondContact O-N 3.32Å
336	S	25	Very low	26.6	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	73%	0.731	S	S	*	*			trans	-66.8	93.6	163.6	55.7	0	0	0	0	107.8	Y334 S338	Y334-S336 PolarHBondContact O-N 2.78Å; S336-S338 PolarHBondContact O-N 3.18Å
337	S	23	Very low	26.4	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	73%	0.731	S	S	*	*			trans	-72.1	65.2	172.7	60.4	0	0	0	0	110.3	N335 S339	N335-S337 VanDerWaalsContact C-N 3.31Å; N335-S337 PolarHBondContact O-N 3.32Å; S337-S339 PolarHBondContact O-N 2.9Å
338	S	25.9	Very low	26.3	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	74%	0.737	S	S	*	*			trans	-64.8	113.8	164.9	54	0	0	0	0	107.8	S336	S336-S338 PolarHBondContact O-N 3.18Å
339	S	23.9	Very low	26.3	Very low	98 Å²	98	129.9 Å²	129.9	69%	0.685	74%	0.741	S	S	*	*			trans	-49.2	143.9	169	-62.2	0	0	0	0	110	S337 V341	S337-S339 PolarHBondContact O-N 2.9Å; S339-V341 PolarHBondContact O-N 3.38Å
340	P	26.7	Very low	26.1	Very low	125 Å²	125	137.7 Å²	137.7	81%	0.812	77%	0.772	S	S	*	*			trans	-64.5	97.7	179.7	26.5	-34.1	0	0	0	109.8	R342	P340-R342 PolarHBondContact O-N 2.68Å
341	V	26.2	Very low	26.2	Very low	136 Å²	136	137.5 Å²	137.5	82%	0.824	77%	0.771	S	S	*	*			trans	-61.1	105.8	167.2	178.1	0	0	0	0	106	S339	S339-V341 PolarHBondContact O-N 3.38Å
342	R	24.1	Very low	26.1	Very low	217 Å²	217	137.7 Å²	137.7	82%	0.819	78%	0.777	S	S	*	*			trans	-54.8	131.2	175.3	-66.8	179.6	179.1	-122.7	2.5	107.6	P340 I344	P340-R342 PolarHBondContact O-N 2.68Å; R342-I344 PolarHBondContact O-N 2.81Å; R342-I344 VanDerWaalsContact O-N 3.08Å
343	P	26.9	Very low	26.1	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	79%	0.786	S	S	*	*			trans	-59.1	120.3	168.3	25.7	-32.3	0	0	0	107.3	T345	P343-T345 VanDerWaalsContact C-N 3.31Å; P343-T345 PolarHBondContact O-N 2.99Å
344	I	27.3	Very low	26.1	Very low	164 Å²	164	138.9 Å²	138.9	84%	0.841	78%	0.782	S	S	*	*			trans	-71.9	96.6	170.9	-60.5	177.2	0	0	0	105.5	R342 P346	R342-I344 PolarHBondContact O-N 2.81Å; R342-I344 VanDerWaalsContact O-N 3.08Å; I344-P346 WeakPolarHBondContact O-CD 3.44Å
345	T	28.8	Very low	26.2	Very low	120 Å²	120	135.4 Å²	135.4	74%	0.736	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-61.5	122.3	175.8	5.4	0	0	0	0	109	P343 S347	P343-T345 VanDerWaalsContact C-N 3.31Å; P343-T345 PolarHBondContact O-N 2.99Å; T345-S347 PolarHBondContact O-N 3.03Å
346	P	28.5	Very low	26.4	Very low	123 Å²	123	137.7 Å²	137.7	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-61.2	131.4	162.6	27.3	-32.3	0	0	0	108	I344	I344-P346 WeakPolarHBondContact O-CD 3.44Å
347	S	24.9	Very low	26.4	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-72.8	133.5	-174.2	50.1	0	0	0	0	112.3	T345	T345-S347 PolarHBondContact O-N 3.03Å
348	S	25.4	Very low	26.5	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	79%	0.787	S	S	*	*			trans	49.5	98.4	151.7	59.9	0	0	0	0	118.6
349	V	30.6	Very low	26.5	Very low	148 Å²	148	142.8 Å²	142.8	90%	0.897	79%	0.793	S	S	*	*			trans	-131.1	151.3	141	-175.9	0	0	0	0	108
350	Y	26.3	Very low	26.5	Very low	216 Å²	216	143.3 Å²	143.3	85%	0.847	80%	0.797	S	S	*	*			trans	-66.1	156.6	-168.1	-90.3	-115.5	0	0	0	115.1
351	P	27.5	Very low	26.5	Very low	116 Å²	116	149.2 Å²	149.2	75%	0.753	80%	0.803	S	S	*	*			trans	-69.9	134.2	169.3	30.8	-34.4	0	0	0	111.1
352	S	28.3	Very low	26.6	Very low	119 Å²	119	146.2 Å²	146.2	83%	0.832	80%	0.799	S	S	*	*			trans	-119.8	130.6	168.4	-171.1	0	0	0	0	109.6
353	Y	25	Very low	26.8	Very low	199 Å²	199	142.6 Å²	142.6	78%	0.78	81%	0.807	S	S	*	*			trans	-85.3	154.4	178.9	-95.2	-98	0	0	0	111.7
354	N	25.6	Very low	26.8	Very low	137 Å²	137	140 Å²	140	73%	0.733	80%	0.801	S	S	*	*			trans	55.3	106.5	155.6	-61.3	-14.3	0	0	0	118.8
355	S	29.3	Very low	26.7	Very low	121 Å²	121	143.8 Å²	143.8	85%	0.846	81%	0.805	S	S	*	*				-151.8	131.2	119.2	25.4	0	0	0	0	112
356	Y	24.7	Very low	26.5	Very low	208 Å²	208	144.1 Å²	144.1	82%	0.816	81%	0.807	S	S	*	*			trans	-40.3	125	-174.5	-64.7	-97	0	0	0	117.2
357	N	25.8	Very low	26.3	Very low	159 Å²	159	144.2 Å²	144.2	85%	0.85	81%	0.805	S	S	*	*			trans	-155.4	79.6	134.3	-115.2	-38.4	0	0	0	111.5	I359	N357-I359 PolarHBondContact O-N 2.7Å
358	S	24.5	Very low	26.5	Very low	104 Å²	104	146.9 Å²	146.9	73%	0.727	81%	0.805	S	S	*	*			trans	-92	91	-177.7	55.6	0	0	0	0	112
359	I	25.7	Very low	26.5	Very low	163 Å²	163	147.3 Å²	147.3	84%	0.836	81%	0.805	S	S	*	*			trans	-95.8	98.6	165.8	-61.3	176.8	0	0	0	108.6	N357	N357-I359 PolarHBondContact O-N 2.7Å
360	S	24.2	Very low	26.5	Very low	108 Å²	108	147.7 Å²	147.7	76%	0.755	80%	0.802	S	S	*	*			trans	-134.2	95.8	171.3	-176.7	0	0	0	0	110.1
361	R	27.4	Very low	26.5	Very low	249 Å²	249	148.1 Å²	148.1	94%	0.94	80%	0.802	S	S	*	*			trans	178.7	129.9	160.4	-100.4	155.9	-166.5	-132.6	3.2	108.2
362	G	28.4	Very low	26.4	Very low	73 Å²	73	147.9 Å²	147.9	75%	0.753	80%	0.798	S	S	*	*			trans	148.9	91.1	178.9	0	0	0	0	0	112.1	G364	G362-G364 PolarHBondContact O-N 3.18Å; G362-G364 VanDerWaalsContact O-N 3.08Å
363	S	28.3	Very low	26.3	Very low	142 Å²	142	147.3 Å²	147.3	99%	0.993	79%	0.785	S	S	*	*			trans	-72	100.2	168	-172.2	0	0	0	0	108.6
364	G	26.4	Very low	26.3	Very low	58 Å²	58	143.1 Å²	143.1	60%	0.598	78%	0.781	S	S	*	*			trans	179.5	113.9	-178.7	0	0	0	0	0	110	G362 V366	G362-G364 PolarHBondContact O-N 3.18Å; G362-G364 VanDerWaalsContact O-N 3.08Å; G364-V366 PolarHBondContact O-N 2.99Å
365	R	24.8	Very low	26.3	Very low	243 Å²	243	145.8 Å²	145.8	92%	0.917	78%	0.782	S	S	*	*			trans	-72.1	92.3	176.2	-75.6	-173.2	174.3	-163.7	-0.7	109.4	V367	R365-V367 HydrophobicContact CB-CG2 4.48Å; R365-V367 PolarHBondContact O-N 3.1Å
366	V	24.6	Very low	26.1	Very low	128 Å²	128	146.3 Å²	146.3	78%	0.776	78%	0.775	S	S	*	*			trans	-67.2	89.3	163.9	-177.9	0	0	0	0	107.6	G364 Q368	G364-V366 PolarHBondContact O-N 2.99Å; V366-Q368 PolarHBondContact O-N 3.04Å
367	V	25.3	Very low	26.1	Very low	125 Å²	125	141.4 Å²	141.4	76%	0.758	77%	0.771	S	S	*	*			trans	-68.6	96.7	172.3	179.4	0	0	0	0	107.2	R365	R365-V367 HydrophobicContact CB-CG2 4.48Å; R365-V367 PolarHBondContact O-N 3.1Å
368	Q	28.6	Very low	26.3	Very low	161 Å²	161	141 Å²	141	75%	0.752	77%	0.769	S	S	*	*			trans	-59.3	134.2	167.7	-62.8	-175.1	8.4	0	0	108.1	V366 L370	V366-Q368 PolarHBondContact O-N 3.04Å; Q368-L370 PolarHBondContact O-N 3.11Å; Q368-L370 VanDerWaalsContact O-N 3.17Å
369	P	25.9	Very low	26.4	Very low	116 Å²	116	143.6 Å²	143.6	75%	0.753	78%	0.775	S	S	*	*			trans	-59.3	124.8	174.2	25	-33.1	0	0	0	108.5	R371	P369-R371 PolarHBondContact O-N 3.09Å
370	L	29.3	Very low	26.4	Very low	156 Å²	156	140.7 Å²	140.7	82%	0.817	78%	0.775	S	S	*	*			trans	-58.6	108.4	-175.9	-173.9	75	0	0	0	109	Q368 V372	Q368-L370 PolarHBondContact O-N 3.11Å; Q368-L370 VanDerWaalsContact O-N 3.17Å; L370-V372 PolarHBondContact O-N 2.95Å
371	R	26.4	Very low	26.6	Very low	225 Å²	225	140.7 Å²	140.7	85%	0.849	78%	0.775	S	S	*	*			trans	-67	97.8	173.5	-69.7	-170.5	-176.9	-170.2	2.6	108.1	P369 N373	P369-R371 PolarHBondContact O-N 3.09Å; R371-N373 VanDerWaalsContact C-N 3.31Å; R371-N373 PolarHBondContact O-N 2.88Å
372	V	26.1	Very low	26.5	Very low	112 Å²	112	135.6 Å²	135.6	68%	0.679	77%	0.772	S	S	*	*			trans	-67.7	94.5	172.1	-178.8	0	0	0	0	107.3	L370 V374	L370-V372 PolarHBondContact O-N 2.95Å; V372-V374 VanDerWaalsContact C-N 3.33Å; V372-V374 HydrophobicContact CG1-CG2 4.42Å; V372-V374 PolarHBondContact O-N 2.64Å
373	N	26.7	Very low	26.5	Very low	106 Å²	106	138.2 Å²	138.2	57%	0.567	77%	0.773	S	S	*	*			trans	-63.9	98.5	167.7	-78.6	4.6	0	0	0	107.7	R371 Y375	R371-N373 VanDerWaalsContact C-N 3.31Å; R371-N373 PolarHBondContact O-N 2.88Å; N373-Y375 VanDerWaalsContact C-N 3.29Å; N373-Y375 HydrophobicContact CB-CD2 4.38Å; N373-Y375 HydrophobicContact CB-CE2 3.95Å; N373-Y375 VanDerWaalsContact O-CD2 3.27Å; N373-Y375 WeakPolarHBondContact O-CD2 3.34Å; N373-Y375 PolarHBondContact O-N 2.81Å
374	V	25.4	Very low	26.4	Very low	112 Å²	112	141.8 Å²	141.8	68%	0.679	77%	0.766	S	S	*	*			trans	-67.8	93.7	168.7	179.9	0	0	0	0	107.1	V372 N376	V372-V374 VanDerWaalsContact C-N 3.33Å; V372-V374 HydrophobicContact CG1-CG2 4.42Å; V372-V374 PolarHBondContact O-N 2.64Å; V374-N376 VanDerWaalsContact C-N 3.3Å; V374-N376 PolarHBondContact O-N 3.24Å
375	Y	23.8	Very low	26.2	Very low	193 Å²	193	143.7 Å²	143.7	76%	0.757	77%	0.77	S	S	*	*			trans	-66.5	92.7	171.1	-71	-79.2	0	0	0	108.6	N373 S377	N373-Y375 VanDerWaalsContact C-N 3.29Å; N373-Y375 HydrophobicContact CB-CD2 4.38Å; N373-Y375 HydrophobicContact CB-CE2 3.95Å; N373-Y375 VanDerWaalsContact O-CD2 3.27Å; N373-Y375 WeakPolarHBondContact O-CD2 3.34Å; N373-Y375 PolarHBondContact O-N 2.81Å; Y375-S377 VanDerWaalsContact C-N 3.26Å; Y375-S377 PolarHBondContact O-N 3.29Å
376	N	26.8	Very low	26.5	Very low	131 Å²	131	138.2 Å²	138.2	70%	0.701	77%	0.766	S	S	*	*			trans	-63.7	92	162.8	-81.3	-26	0	0	0	108.1	V374 D378	V374-N376 VanDerWaalsContact C-N 3.3Å; V374-N376 PolarHBondContact O-N 3.24Å; N376-D378 PolarHBondContact O-N 2.66Å
377	S	24.9	Very low	26.6	Very low	105 Å²	105	140.8 Å²	140.8	73%	0.734	77%	0.769	S	S	*	*			trans	-68.4	83.7	158.7	57.8	0	0	0	0	108.2	Y375	Y375-S377 VanDerWaalsContact C-N 3.26Å; Y375-S377 PolarHBondContact O-N 3.29Å
378	D	28.6	Very low	26.7	Very low	150 Å²	150	143.7 Å²	143.7	80%	0.802	77%	0.772	S	S	*	*	S	Bend	trans	-176.3	150.6	130.6	-85.3	-24.1	0	0	0	110.6	N376	N376-D378 PolarHBondContact O-N 2.66Å
379	N	27.4	Very low	26.7	Very low	160 Å²	160	144.8 Å²	144.8	86%	0.856	77%	0.774	S	S	*	*			trans	-65.7	142.3	-157.1	-69.6	-49.3	0	0	0	116.5
380	A	25.8	Very low	26.7	Very low	101 Å²	101	144.8 Å²	144.8	84%	0.835	77%	0.772	S	S	*	*			trans	50.9	82.3	140.1	0	0	0	0	0	119.1
381	S	27.1	Very low	26.8	Very low	108 Å²	108	145 Å²	145	76%	0.755	77%	0.768	S	S	*	*			trans	-148.8	121.5	134	54.7	0	0	0	0	112.2	V383	S381-V383 PolarHBondContact O-N 3.37Å
382	T	25.3	Very low	26.8	Very low	143 Å²	143	139.9 Å²	139.9	88%	0.877	77%	0.767	S	S	*	*			trans	-88.9	90.6	171	32.2	0	0	0	0	109.7
383	V	28.3	Very low	27	Very low	127 Å²	127	139.8 Å²	139.8	77%	0.77	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-97.3	124	169.5	-176.1	0	0	0	0	108.8	S381	S381-V383 PolarHBondContact O-N 3.37Å
384	Y	26.3	Very low	27.2	Very low	217 Å²	217	140.3 Å²	140.3	85%	0.851	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-64.6	137.2	-176.3	-91.8	-112.3	0	0	0	112.6
385	S	23.5	Very low	27.4	Very low	98 Å²	98	142.1 Å²	142.1	69%	0.685	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-68.9	130.3	157	-64.5	0	0	0	0	109.8	H387	S385-H387 PolarHBondContact O-N 2.87Å
386	P	30.6	Very low	27.6	Very low	129 Å²	129	143.7 Å²	143.7	84%	0.838	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-62	129	166	-19.3	32.3	0	0	0	109.8
387	H	26.8	Very low	27.7	Very low	181 Å²	181	142.7 Å²	142.7	84%	0.838	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-68.3	153.4	173	-94.6	-121.8	0	0	0	111.3	S385 K389	S385-H387 PolarHBondContact O-N 2.87Å; H387-K389 PolarHBondContact O-N 2.92Å
388	K	26.4	Very low	28	Very low	187 Å²	187	143.7 Å²	143.7	81%	0.813	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-48.6	130.6	172.7	-65.8	177.1	175	-178.7	0	111.1	V390	K388-V390 HydrophobicContact CB-CG2 4.36Å; K388-V390 HydrophobicContact CD-CG2 4.27Å
389	K	29.7	Very low	27.9	Very low	184 Å²	184	141.2 Å²	141.2	80%	0.8	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-93.6	136.3	132.8	-83.7	-163.3	167.2	-161.9	0	108.1	H387	H387-K389 PolarHBondContact O-N 2.92Å
390	V	26.6	Very low	27.9	Very low	116 Å²	116	138.3 Å²	138.3	70%	0.703	78%	0.777	S	S	*	*			trans	-105.6	112.4	169	175.9	0	0	0	0	105.8	K388	K388-V390 HydrophobicContact CB-CG2 4.36Å; K388-V390 HydrophobicContact CD-CG2 4.27Å
391	E	29.7	Very low	28.2	Very low	159 Å²	159	138.3 Å²	138.3	74%	0.743	77%	0.768	S	S	*	*			trans	-124.9	139.8	165.8	-88.3	167	-149.6	0	0	108.3
392	S	27.7	Very low	28.3	Very low	118 Å²	118	141.1 Å²	141.1	83%	0.825	77%	0.773	S	S	*	*			trans	-94.4	113.3	-154.3	-55.6	0	0	0	0	112.8
393	S	30.8	Very low	28.4	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	77%	0.766	S	S	*	*			trans	-152	99.1	164	52.1	0	0	0	0	112.2	N395	S393-N395 PolarHBondContact O-N 2.78Å
394	P	30.6	Very low	28.7	Very low	118 Å²	118	142.4 Å²	142.4	77%	0.766	76%	0.763	S	S	*	*			trans	-84.6	109.7	170.6	31.8	-29.2	0	0	0	110.1
395	N	28.9	Very low	28.9	Very low	149 Å²	149	136.7 Å²	136.7	80%	0.797	76%	0.761	S	S	*	*			trans	-167.7	134.2	147.3	-100.7	-30.8	0	0	0	113.9	S393	S393-N395 PolarHBondContact O-N 2.78Å
396	W	27.9	Very low	29	Very low	226 Å²	226	141.9 Å²	141.9	86%	0.856	77%	0.767	S	S	*	*			trans	57.3	100.1	150.3	-81.2	73.5	0	0	0	122.1
397	N	29.8	Very low	29.1	Very low	110 Å²	110	142 Å²	142	59%	0.588	77%	0.768	S	S	*	*				94.9	104.1	121.8	-154.6	21.7	0	0	0	119.6
398	P	31	Very low	29.1	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	75%	0.754	S	S	*	*			trans	-90.2	103.3	168.1	34.2	-28.1	0	0	0	111
399	S	26.4	Very low	29.2	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	76%	0.755	S	S	*	*			trans	-149.3	46.3	177.2	-74.1	0	0	0	0	113.5
400	S	27	Very low	29.2	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	76%	0.758	S	S	*	*	S	Bend	trans	-155.5	135.8	166	51.7	0	0	0	0	110.4	I402	S400-I402 PolarHBondContact O-N 3.15Å
401	P	32.8	Very low	29.2	Very low	100 Å²	100	139 Å²	139	65%	0.649	76%	0.763	S	S	*	*			trans	-68.7	127.8	172.4	28.3	-33	0	0	0	109.5	Y403	P401-Y403 VanDerWaalsContact C-N 3.34Å; P401-Y403 HydrophobicContact CG-CD2 4.37Å; P401-Y403 HydrophobicContact CG-CE2 3.89Å; P401-Y403 PolarHBondContact O-N 2.94Å
402	I	28.8	Very low	29.1	Very low	168 Å²	168	141.1 Å²	141.1	86%	0.862	77%	0.769	S	S	*	*			trans	-74.1	91	175.9	-57.4	176.1	0	0	0	108.1	S400	S400-I402 PolarHBondContact O-N 3.15Å
403	Y	26.7	Very low	29.1	Very low	188 Å²	188	143 Å²	143	74%	0.737	77%	0.769	S	S	*	*			trans	-60.7	137.4	167.4	-77.5	-86	0	0	0	109.8	P401 A405	P401-Y403 VanDerWaalsContact C-N 3.34Å; P401-Y403 HydrophobicContact CG-CD2 4.37Å; P401-Y403 HydrophobicContact CG-CE2 3.89Å; P401-Y403 PolarHBondContact O-N 2.94Å; Y403-A405 PolarHBondContact O-N 2.86Å; Y403-A405 VanDerWaalsContact O-N 3.11Å
404	P	35.9	Very low	28.9	Very low	108 Å²	108	144.4 Å²	144.4	70%	0.701	77%	0.768	S	S	*	*			trans	-63.6	115.8	166	27.8	-32.2	0	0	0	107.9	Y406	P404-Y406 PolarHBondContact O-N 2.96Å; P404-Y406 VanDerWaalsContact O-N 3.1Å
405	A	28.9	Very low	28.9	Very low	97 Å²	97	147.3 Å²	147.3	80%	0.802	77%	0.771	S	S	*	*			trans	-61.1	116.5	-178.4	0	0	0	0	0	110.2	Y403	Y403-A405 PolarHBondContact O-N 2.86Å; Y403-A405 VanDerWaalsContact O-N 3.11Å
406	Y	25.4	Very low	28.8	Very low	208 Å²	208	146 Å²	146	82%	0.816	77%	0.768	S	S	*	*			trans	-59.2	142	163.2	-76.4	-92.1	0	0	0	108.8	P404 A408	P404-Y406 PolarHBondContact O-N 2.96Å; P404-Y406 VanDerWaalsContact O-N 3.1Å; Y406-A408 VanDerWaalsContact C-N 3.27Å; Y406-A408 PolarHBondContact O-N 2.96Å
407	P	33.8	Very low	28.8	Very low	131 Å²	131	142.2 Å²	142.2	85%	0.851	77%	0.765	S	S	*	*			trans	-63.4	90.1	167.3	-21.3	34	0	0	0	109.8	Y409	P407-Y409 PolarHBondContact O-N 3.3Å
408	A	27	Very low	28.8	Very low	66 Å²	66	144.9 Å²	144.9	55%	0.545	78%	0.777	S	S	.	*			trans	-67.4	116	175	0	0	0	0	0	108.9	Y406 M410	Y406-A408 VanDerWaalsContact C-N 3.27Å; Y406-A408 PolarHBondContact O-N 2.96Å; A408-M410 PolarHBondContact O-N 2.76Å
409	Y	28.2	Very low	28.8	Very low	213 Å²	213	147 Å²	147	84%	0.835	78%	0.776	S	S	*	*			trans	20.2	86.2	152.9	-46.1	-78.3	0	0	0	115.4	P407 D411	P407-Y409 PolarHBondContact O-N 3.3Å; Y409-D411 PolarHBondContact O-N 3.11Å
410	M	28.8	Very low	29.1	Very low	177 Å²	177	148.1 Å²	148.1	87%	0.872	78%	0.781	S	S	*	*			trans	-71.9	116.6	161.8	-73.7	-76.7	97.7	0	0	108.6	A408	A408-M410 PolarHBondContact O-N 2.76Å
411	D	28	Very low	29.1	Very low	149 Å²	149	149.4 Å²	149.4	80%	0.797	78%	0.78	S	S	*	*			trans	-63.7	141.1	-177.9	-79.3	-52.5	0	0	0	112.7	Y409 L413	Y409-D411 PolarHBondContact O-N 3.11Å; D411-L413 PolarHBondContact O-N 3Å; D411-L413 VanDerWaalsContact O-N 3.17Å
412	K	27.1	Very low	28.8	Very low	204 Å²	204	155 Å²	155	89%	0.887	79%	0.788	S	S	*	*			trans	-84.3	86.2	176.3	-68.5	-179.6	179.4	177.5	0	110.2
413	L	28.2	Very low	28.9	Very low	157 Å²	157	158.5 Å²	158.5	82%	0.822	79%	0.792	S	S	*	*			trans	-119.6	135.7	164.4	-83.3	168.9	0	0	0	111.7	D411	D411-L413 PolarHBondContact O-N 3Å; D411-L413 VanDerWaalsContact O-N 3.17Å
414	N	25.4	Very low	28.9	Very low	139 Å²	139	160.4 Å²	160.4	74%	0.743	80%	0.798	S	S	*	*			trans	-61.6	147.6	-169.3	-49.8	-47.7	0	0	0	113
415	H	30.5	Very low	28.7	Very low	180 Å²	180	166.4 Å²	166.4	83%	0.833	81%	0.806	S	S	*	*			trans	172	102.4	133.1	-93.5	68.5	0	0	0	106.4
416	V	27.9	Very low	28.6	Very low	120 Å²	120	169 Å²	169	73%	0.727	80%	0.802	S	S	*	*				65.6	102.3	92.2	179	0	0	0	0	113.5
417	D	26.6	Very low	28.8	Very low	148 Å²	148	167.4 Å²	167.4	79%	0.791	80%	0.802	S	S	*	*			trans	33.4	98.3	150.4	-56.2	-29.8	0	0	0	121.4
418	I	31.2	Very low	28.6	Very low	166 Å²	166	165.5 Å²	165.5	85%	0.851	79%	0.792	S	S	*	*			trans	-145.5	133.2	134.8	-83.2	114.7	0	0	0	108.4
419	Q	29.3	Very low	28.6	Very low	171 Å²	171	169.2 Å²	169.2	80%	0.799	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-91.7	136.2	168.4	-75.2	-163.8	22.3	0	0	112.1
420	P	33	Very low	28.6	Very low	121 Å²	121	168.6 Å²	168.6	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-95.9	123.8	159.2	33.4	-27.7	0	0	0	111.5
421	L	28.7	Very low	28.6	Very low	127 Å²	127	165.5 Å²	165.5	67%	0.665	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-72.1	148.7	174	-104.1	75.9	0	0	0	112.5
422	R	25.3	Very low	28.6	Very low	217 Å²	217	164.6 Å²	164.6	82%	0.819	80%	0.796	S	S	*	*			trans	60.1	93	154.4	-60.4	171	-172.8	-176.7	4.9	117.9
423	Y	31.6	Very low	28.6	Very low	242 Å²	242	159.7 Å²	159.7	95%	0.949	78%	0.783	S	S	*	*				-122.8	114.4	129.9	-88.9	-81.7	0	0	0	110.1
424	R	26.3	Very low	28.6	Very low	227 Å²	227	159 Å²	159	86%	0.857	78%	0.779	S	S	*	*			trans	-78.5	125.7	167.3	-89.3	-178.4	167.4	168	-4.5	108.7
425	R	30.8	Very low	28.5	Very low	234 Å²	234	162.2 Å²	162.2	88%	0.883	78%	0.782	S	S	*	*			trans	-135.9	83.6	152.9	-159.8	173.2	-170.1	179	3.3	110.7	Q427	R425-Q427 PolarHBondContact O-N 2.78Å
426	E	27.4	Very low	28.4	Very low	152 Å²	152	158.8 Å²	158.8	71%	0.71	78%	0.778	S	S	*	*			trans	-55.8	102.7	164.3	-68.5	-70.6	166.8	0	0	109.5
427	Q	29.9	Very low	28.6	Very low	174 Å²	174	159.4 Å²	159.4	81%	0.813	78%	0.783	S	S	*	*			trans	-178.6	57.6	152.8	-103.2	168.2	13.3	0	0	110.1	R425 V429	R425-Q427 PolarHBondContact O-N 2.78Å; Q427-V429 PolarHBondContact O-N 3.17Å
428	S	29.3	Very low	28.6	Very low	91 Å²	91	159.6 Å²	159.6	64%	0.636	78%	0.784	S	S	*	*			trans	-67.8	121.2	161	48.3	0	0	0	0	108.6	R430	S428-R430 VanDerWaalsContact C-N 3.29Å; S428-R430 PolarHBondContact O-N 3.26Å
429	V	27	Very low	28.6	Very low	144 Å²	144	159.2 Å²	159.2	87%	0.873	78%	0.783	S	S	*	*			trans	-68.3	94.4	170	179.9	0	0	0	0	106.9	Q427	Q427-V429 PolarHBondContact O-N 3.17Å
430	R	28.2	Very low	28.6	Very low	201 Å²	201	156 Å²	156	76%	0.758	78%	0.777	S	S	*	*			trans	-63.3	134	178.6	-63.5	-174.3	-178.8	-165.2	0.5	108.7	S428 V432	S428-R430 VanDerWaalsContact C-N 3.29Å; S428-R430 PolarHBondContact O-N 3.26Å; R430-V432 PolarHBondContact O-N 3.27Å
431	P	28.4	Very low	28.4	Very low	112 Å²	112	156.4 Å²	156.4	73%	0.727	78%	0.778	S	S	*	*			trans	-58.7	134.1	161.5	27.8	-33	0	0	0	107.9	T433	P431-T433 PolarHBondContact O-N 3.13Å
432	V	27.9	Very low	28.5	Very low	130 Å²	130	156.3 Å²	156.3	79%	0.788	78%	0.782	S	S	*	*			trans	-70.6	102	178.8	176.6	0	0	0	0	108.4	R430 I434	R430-V432 PolarHBondContact O-N 3.27Å; V432-I434 HydrophobicContact CG1-CG1 4.2Å; V432-I434 PolarHBondContact O-N 3.3Å
433	T	27.4	Very low	28.7	Very low	100 Å²	100	154.3 Å²	154.3	61%	0.613	79%	0.788	S	S	*	*			trans	-68.4	94	171.9	-49.5	0	0	0	0	109	P431 Y435	P431-T433 PolarHBondContact O-N 3.13Å; T433-Y435 PolarHBondContact O-N 3.35Å
434	I	27.5	Very low	28.6	Very low	143 Å²	143	147.9 Å²	147.9	73%	0.733	77%	0.774	S	S	*	*			trans	-71.9	112.6	169.9	-58.9	178	0	0	0	107.4	V432 S436	V432-I434 HydrophobicContact CG1-CG1 4.2Å; V432-I434 PolarHBondContact O-N 3.3Å; I434-S436 PolarHBondContact O-N 3.17Å
435	Y	24.2	Very low	28.6	Very low	207 Å²	207	143.9 Å²	143.9	81%	0.812	78%	0.775	S	S	*	*			trans	-74	87	173.9	-66.5	-82.5	0	0	0	110.5	T433	T433-Y435 PolarHBondContact O-N 3.35Å
436	S	29.2	Very low	28.6	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-76	118.1	157.5	56.6	0	0	0	0	108.7	I434	I434-S436 PolarHBondContact O-N 3.17Å
437	T	31.5	Very low	28.6	Very low	134 Å²	134	138.6 Å²	138.6	82%	0.822	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-68.8	155.1	-177.4	44.4	0	0	0	0	112.8
438	N	27.2	Very low	28.8	Very low	152 Å²	152	136 Å²	136	81%	0.813	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-61	137	-170.6	-58.2	-32.2	0	0	0	114
439	N	30.7	Very low	28.7	Very low	158 Å²	158	139 Å²	139	85%	0.845	76%	0.761	S	S	*	*				-163.6	161.4	122.7	-99.7	-23.1	0	0	0	111.7
440	P	29.1	Very low	28.9	Very low	102 Å²	102	139.5 Å²	139.5	66%	0.662	75%	0.754	S	S	*	*			trans	-105.1	157.9	-147.5	39.2	-37.9	0	0	0	117.2
441	T	29.5	Very low	28.9	Very low	131 Å²	131	136.6 Å²	136.6	80%	0.804	75%	0.752	S	S	*	*			trans	43	94.6	149.5	54.4	0	0	0	0	119.6
442	T	30.3	Very low	28.8	Very low	124 Å²	124	142.7 Å²	142.7	76%	0.761	76%	0.761	S	S	*	*			trans	-138	143	136.4	46.9	0	0	0	0	110.1	T444	T442-T444 PolarHBondContact O-N 2.81Å
443	N	28.9	Very low	29.1	Very low	176 Å²	176	145.1 Å²	145.1	94%	0.941	76%	0.76	S	S	*	*			trans	-78.1	105.3	175.7	-74.7	-41.1	0	0	0	109.9
444	T	28.9	Very low	29.1	Very low	106 Å²	106	144.9 Å²	144.9	65%	0.65	77%	0.769	S	S	*	*			trans	-132.1	132.6	169.7	52.8	0	0	0	0	111.4	T442 I446	T442-T444 PolarHBondContact O-N 2.81Å; T444-I446 PolarHBondContact O-N 3.44Å
445	T	26.9	Very low	29.3	Very low	143 Å²	143	145.6 Å²	145.6	88%	0.877	77%	0.773	S	S	*	*			trans	-82.1	99	-178.4	-46.5	0	0	0	0	109.6	E447	T445-E447 PolarHBondContact O-N 2.88Å
446	I	30.8	Very low	29.7	Very low	137 Å²	137	141.1 Å²	141.1	70%	0.703	77%	0.769	S	S	*	*			trans	-76.5	93.8	-177.4	-53.6	-179.9	0	0	0	110.6	T444 T448	T444-I446 PolarHBondContact O-N 3.44Å; I446-T448 HydrophobicContact CG2-CG2 3.91Å; I446-T448 PolarHBondContact O-N 2.96Å; I446-T448 VanDerWaalsContact O-N 3.11Å
447	E	28.8	Very low	29.9	Very low	138 Å²	138	139 Å²	139	65%	0.645	76%	0.758	S	S	*	*			trans	-68.6	97.7	161.6	-75.1	-160.6	152.2	0	0	110	T445 K449	T445-E447 PolarHBondContact O-N 2.88Å; E447-K449 PolarHBondContact O-N 3.36Å; E447-K449 WeakPolarHBondContact OE2-CE 3.26Å; E447-K449 IonicContact OE2-NZ 2.69Å; E447-K449 PolarHBondContact OE2-NZ 3Å
448	T	32.6	Very low	30	Very low	120 Å²	120	141 Å²	141	74%	0.736	76%	0.758	S	S	*	*			trans	-73.1	76.5	173	56.8	0	0	0	0	111.5	I446 Q450	I446-T448 HydrophobicContact CG2-CG2 3.91Å; I446-T448 PolarHBondContact O-N 2.96Å; I446-T448 VanDerWaalsContact O-N 3.11Å; T448-Q450 PolarHBondContact O-N 2.93Å; T448-Q450 VanDerWaalsContact O-N 3.15Å
449	K	27.4	Very low	30.2	Very low	154 Å²	154	141 Å²	141	67%	0.67	76%	0.758	S	S	*	*			trans	-68.2	105.1	168	-74.8	172.7	-179.9	147.3	0	109.2	E447 I451	E447-K449 PolarHBondContact O-N 3.36Å; E447-K449 WeakPolarHBondContact OE2-CE 3.26Å; E447-K449 IonicContact OE2-NZ 2.69Å; E447-K449 PolarHBondContact OE2-NZ 3Å; K449-I451 PolarHBondContact O-N 3.11Å
450	Q	31.2	Very low	30.2	Very low	155 Å²	155	144 Å²	144	72%	0.724	76%	0.758	S	S	*	*			trans	-69.2	97.8	173.2	-75.7	-173.1	-34.4	0	0	110.2	T448	T448-Q450 PolarHBondContact O-N 2.93Å; T448-Q450 VanDerWaalsContact O-N 3.15Å
451	I	28.6	Very low	30.5	Very low	139 Å²	139	144 Å²	144	71%	0.713	76%	0.76	S	S	*	*			trans	-84.1	118.7	170.2	-60.4	173.9	0	0	0	108.1	K449 K453	K449-I451 PolarHBondContact O-N 3.11Å; I451-K453 VanDerWaalsContact C-N 3.34Å; I451-K453 PolarHBondContact O-N 3.46Å
452	W	26.8	Very low	30.7	Very low	241 Å²	241	145.3 Å²	145.3	91%	0.913	76%	0.762	S	S	*	*			trans	-70.4	88.6	171.2	-72.5	90.4	0	0	0	110.2	A454	W452-A454 PolarHBondContact O-N 3.25Å
453	K	33	Very low	30.9	Very low	180 Å²	180	144.7 Å²	144.7	78%	0.783	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-69.5	125.4	162.1	-69.1	-170.6	177.7	-174.8	0	108.2	I451 I455	I451-K453 VanDerWaalsContact C-N 3.34Å; I451-K453 PolarHBondContact O-N 3.46Å; K453-I455 PolarHBondContact O-N 3.2Å
454	A	29	Very low	31.2	Very low	96 Å²	96	144.9 Å²	144.9	79%	0.793	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-60.7	128.3	167.9	0	0	0	0	0	108.9	W452 P456	W452-A454 PolarHBondContact O-N 3.25Å; A454-P456 WeakPolarHBondContact O-CD 3.47Å
455	I	31.2	Very low	31.4	Very low	158 Å²	158	151 Å²	151	81%	0.81	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.3	118.4	172.4	-60.4	171.6	0	0	0	106.5	K453 A457	K453-I455 PolarHBondContact O-N 3.2Å; I455-A457 PolarHBondContact O-N 3.3Å
456	P	33.1	Very low	31.9	Very low	112 Å²	112	149.6 Å²	149.6	73%	0.727	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-64.8	123.3	173.4	27.2	-32.5	0	0	0	108.6	A454 Q458	A454-P456 WeakPolarHBondContact O-CD 3.47Å; P456-Q458 VanDerWaalsContact C-N 3.34Å; P456-Q458 PolarHBondContact O-N 3.19Å
457	A	32.7	Very low	31.9	Very low	63 Å²	63	149.3 Å²	149.3	52%	0.521	76%	0.76	S	S	.	*			trans	-69.5	92.3	176.8	0	0	0	0	0	109.3	I455 N459	I455-A457 PolarHBondContact O-N 3.3Å; A457-N459 PolarHBondContact O-N 3.32Å
458	Q	33.1	Very low	32	Very low	177 Å²	177	154.1 Å²	154.1	83%	0.827	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	133.5	179.2	-160.6	165.8	-0.6	0	0	109.4	P456	P456-Q458 VanDerWaalsContact C-N 3.34Å; P456-Q458 PolarHBondContact O-N 3.19Å
459	N	31	Very low	32.2	Very low	151 Å²	151	153.7 Å²	153.7	81%	0.807	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.2	38.3	-178.7	-43.7	-29	0	0	0	117.2	A457	A457-N459 PolarHBondContact O-N 3.32Å
460	W	31.7	Very low	32.3	Very low	222 Å²	222	149.6 Å²	149.6	84%	0.841	78%	0.776	S	S	*	*			trans	-98.6	123.2	152.3	-75.5	-4.4	0	0	0	110.2
461	S	35.3	Very low	32.3	Very low	102 Å²	102	148.6 Å²	148.6	71%	0.713	78%	0.78	S	S	*	*			trans	-80	130.1	178.2	51.9	0	0	0	0	111.4	T463	S461-T463 PolarHBondContact O-N 2.97Å
462	D	33.8	Very low	32.5	Very low	157 Å²	157	151.1 Å²	151.1	84%	0.84	79%	0.787	S	S	*	*	S	Bend	trans	-68.8	74.1	176.3	-79.8	-59.5	0	0	0	112.4
463	T	34.2	Very low	32.6	Very low	112 Å²	112	147 Å²	147	69%	0.687	78%	0.781	S	S	*	*	S	Bend	trans	-150.8	23.6	180	-19.3	0	0	0	0	114.3	S461	S461-T463 PolarHBondContact O-N 2.97Å
464	Q	34.4	Very low	32.6	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	78%	0.775	S	S	*	*			trans	-157.6	50.5	164.3	-126.5	163.3	86.8	0	0	114	T466	Q464-T466 PolarHBondContact O-N 3.05Å
465	R	34.8	Very low	32.8	Very low	235 Å²	235	145 Å²	145	89%	0.887	77%	0.774	S	S	*	*			trans	-77.3	70.8	174.6	-158.2	178.5	-162	-145.6	5.7	111.1	V467	R465-V467 PolarHBondContact O-N 3.06Å
466	T	35.4	Very low	33	Very low	113 Å²	113	143.1 Å²	143.1	69%	0.693	77%	0.77	S	S	*	*			trans	-60.1	108	-177.3	-49.1	0	0	0	0	111.1	Q464 R468	Q464-T466 PolarHBondContact O-N 3.05Å; T466-R468 PolarHBondContact O-N 3.05Å
467	V	30.9	Very low	33	Very low	131 Å²	131	147.2 Å²	147.2	79%	0.794	78%	0.776	S	S	*	*			trans	-66.5	101.8	-179.4	179.7	0	0	0	0	109.8	R465	R465-V467 PolarHBondContact O-N 3.06Å
468	R	32.6	Very low	33.1	Very low	240 Å²	240	154 Å²	154	91%	0.906	79%	0.794	S	S	*	*			trans	-89.2	112.1	162.8	-86.2	-174.5	169.6	-98.2	-0.5	109.1	T466	T466-R468 PolarHBondContact O-N 3.05Å
469	S	36.5	Very low	33.3	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	80%	0.795	S	S	*	*			trans	-86.5	153.3	177.8	46	0	0	0	0	112.1
470	G	29.1	Very low	33.3	Very low	68 Å²	68	151 Å²	151	70%	0.701	79%	0.789	S	S	*	*			trans	83.6	131.3	174.3	0	0	0	0	0	114.4
471	T	31.5	Very low	33.4	Very low	135 Å²	135	148 Å²	148	83%	0.828	79%	0.789	S	S	*	*			cis	-152.8	124.9	-4.2	-15	0	0	0	0	109.1
472	F	33	Very low	33.2	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.842	79%	0.792	S	S	*	*			trans	-83.5	124.5	170.4	-68.5	-85.3	0	0	0	109.5	T474	F472-T474 VanDerWaalsContact C-N 3.27Å; F472-T474 HydrophobicContact CB-CG2 4.39Å; F472-T474 PolarHBondContact O-N 3.08Å; F472-T474 VanDerWaalsContact O-N 3.11Å
473	I	28.3	Very low	33.2	Very low	155 Å²	155	151.1 Å²	151.1	80%	0.795	80%	0.797	S	S	*	*			trans	-84.1	77.6	169.2	-53.2	-179.4	0	0	0	107.9	T475	I473-T475 HydrophobicContact CG2-CG2 4.07Å; I473-T475 PolarHBondContact O-N 3.37Å; I473-T475 VanDerWaalsContact O-N 3.09Å
474	T	33.9	Very low	33	Very low	108 Å²	108	156.3 Å²	156.3	66%	0.663	80%	0.804	S	S	*	*			trans	-73.8	94.5	170.5	40.8	0	0	0	0	109.4	F472 T476	F472-T474 VanDerWaalsContact C-N 3.27Å; F472-T474 HydrophobicContact CB-CG2 4.39Å; F472-T474 PolarHBondContact O-N 3.08Å; F472-T474 VanDerWaalsContact O-N 3.11Å; T474-T476 PolarHBondContact O-N 3.46Å
475	T	31.7	Very low	33.3	Very low	125 Å²	125	153.6 Å²	153.6	77%	0.767	80%	0.802	S	S	*	*			trans	-72.1	74.3	173.8	53.8	0	0	0	0	111	I473 K477	I473-T475 HydrophobicContact CG2-CG2 4.07Å; I473-T475 PolarHBondContact O-N 3.37Å; I473-T475 VanDerWaalsContact O-N 3.09Å; T475-K477 PolarHBondContact O-N 3.37Å
476	T	35.5	Very low	33.3	Very low	118 Å²	118	149.4 Å²	149.4	72%	0.724	80%	0.797	S	S	*	*			trans	-66.7	103.4	169.9	43.4	0	0	0	0	109.4	T474 K478	T474-T476 PolarHBondContact O-N 3.46Å; T476-K478 PolarHBondContact O-N 3.41Å; T476-K478 VanDerWaalsContact O-N 3.08Å
477	K	34.7	Very low	33.1	Very low	199 Å²	199	150.5 Å²	150.5	87%	0.865	80%	0.803	S	S	*	*			trans	-58.4	114.9	164.3	-75.7	-174.3	177.1	-179.6	0	107.5	T475 L479	T475-K477 PolarHBondContact O-N 3.37Å; K477-L479 PolarHBondContact O-N 3.13Å
478	K	34.2	Very low	33.2	Very low	205 Å²	205	149.4 Å²	149.4	89%	0.891	80%	0.801	S	S	*	*			trans	-64.1	107.5	172.9	-73.2	-175.9	176.4	-179	0	109	T476	T476-K478 PolarHBondContact O-N 3.41Å; T476-K478 VanDerWaalsContact O-N 3.08Å
479	L	36.2	Very low	32.9	Very low	161 Å²	161	145.5 Å²	145.5	84%	0.843	80%	0.798	S	S	*	*			trans	-68.6	131.5	157.5	-77	141.6	0	0	0	107.9	K477	K477-L479 PolarHBondContact O-N 3.13Å
480	P	31.2	Very low	32.7	Very low	105 Å²	105	148.7 Å²	148.7	68%	0.682	80%	0.801	S	S	*	*	S	Bend	trans	-73.2	141.7	167	30.3	-31.5	0	0	0	109.9
481	N	34.1	Very low	33	Very low	159 Å²	159	150.1 Å²	150.1	85%	0.85	80%	0.8	S	S	*	*			trans	88	136.8	175.9	-50.2	-22.7	0	0	0	117.5
482	G	31.6	Very low	33	Very low	75 Å²	75	149.4 Å²	149.4	77%	0.773	80%	0.801	S	S	*	*			trans	101.2	88.2	148.3	0	0	0	0	0	118.7
483	R	33.2	Very low	32.9	Very low	249 Å²	249	144 Å²	144	94%	0.94	80%	0.799	S	S	*	*			trans	43	121	149.6	-68.6	-178.5	171.4	175.2	-3.7	120.3
484	R	30.4	Very low	33.2	Very low	220 Å²	220	143.8 Å²	143.8	83%	0.83	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-66.6	148.2	144.8	-81.4	-179.3	171.4	171.4	-4.5	110.4
485	P	39.9	Very low	33.1	Very low	122 Å²	122	142.7 Å²	142.7	79%	0.792	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-84.9	151.2	140.3	-1.5	21.6	0	0	0	110.1
486	D	35.1	Very low	33.1	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-87.2	171.3	-179.4	-74.5	-61.8	0	0	0	113.8
487	V	30.8	Very low	33.4	Very low	136 Å²	136	150.9 Å²	150.9	82%	0.824	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-91.2	123	179.4	178.1	0	0	0	0	110.1
488	S	32.8	Very low	33.3	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	82%	0.817	S	S	*	*			trans	-127.2	137.4	159	53	0	0	0	0	109.9
489	N	27.7	Very low	33.2	Very low	158 Å²	158	145.5 Å²	145.5	85%	0.845	81%	0.813	S	S	*	*			trans	-123.6	85.1	-175.5	-122.1	7.3	0	0	0	108.2
490	E	32.2	Very low	33.1	Very low	178 Å²	178	144.6 Å²	144.6	83%	0.832	81%	0.811	S	S	*	*			trans	-133.9	101	171	-68.4	-173.5	153.5	0	0	106
491	S	34.1	Very low	33.2	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	82%	0.819	S	S	*	*				93.1	110.9	61.6	66.9	0	0	0	0	112.6
492	S	31.4	Very low	33.1	Very low	120 Å²	120	146.2 Å²	146.2	84%	0.839	82%	0.817	S	S	*	*			trans	53.5	127.3	150.6	56	0	0	0	0	121
493	G	32.5	Very low	33.2	Very low	78 Å²	78	150.9 Å²	150.9	80%	0.804	82%	0.82	S	S	*	*			trans	113.1	104.3	141.1	0	0	0	0	0	115.9
494	V	33.1	Very low	33.2	Very low	151 Å²	151	143.9 Å²	143.9	92%	0.915	81%	0.811	S	S	*	*			trans	-97.6	105.8	154.6	176.9	0	0	0	0	106.8
495	S	32.4	Very low	33.5	Very low	86 Å²	86	138.1 Å²	138.1	60%	0.601	81%	0.81	S	S	*	*			trans	-77.3	161.9	154.9	-137.1	0	0	0	0	107.6
496	E	31.6	Very low	32.9	Very low	145 Å²	145	139.4 Å²	139.4	68%	0.678	81%	0.811	S	S	*	*			cis	-163.3	160.2	21.1	-152.7	144.5	-93.5	0	0	109.7
497	F	41.5	Very low	32.7	Very low	269 Å²	269	138.7 Å²	138.7	100%	1.18	81%	0.814	S	S	*	*			trans	71	0	177.5	-62.5	-81.5	0	0	0	118.3

Retrieved 497 of 497 residues in 655.4 ms (Link to these results)

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