A0A060WPC3_ONCMY Loading...

Receptor-interacting serine/threonine-protein kinase 2

AlphaFold DB , UniProt , Accession A0A060WPC3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110508995, Length 589 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	42.3	Very low	41.8	Very low	239 Å²	239	151.2 Å²	151.2	100%	1.177	82%	0.818	S	S	*	*				0	135.6	0	-62.5	169.4	-176.3	0	0	106.5
2	E	33.1	Very low	42.4	Very low	200 Å²	200	148.4 Å²	148.4	94%	0.935	82%	0.816	S	S	*	*			trans	-169.1	149.9	147	-110.9	162.1	-175.9	0	0	108.5
3	Q	35.7	Very low	43.5	Very low	170 Å²	170	143.8 Å²	143.8	79%	0.794	80%	0.8	S	S	*	*			trans	-96.9	128.9	-163	-69.8	172.9	-19.2	0	0	111.7	H5	Q3-H5 PolarHBondContact O-N 3.35Å; Q3-H5 VanDerWaalsContact O-N 3.09Å
4	Q	38.9	Very low	45.3	Very low	182 Å²	182	143.4 Å²	143.4	85%	0.85	80%	0.795	S	S	*	*			trans	-62.4	109.7	166.3	-69.7	177.9	-16.2	0	0	109.1	T6	Q4-T6 PolarHBondContact O-N 3.09Å; Q4-T6 VanDerWaalsContact O-N 3.11Å
5	H	36.9	Very low	47	Very low	178 Å²	178	141.7 Å²	141.7	82%	0.824	79%	0.79	S	S	*	*			trans	-72.1	102.4	169.6	-92.3	60.5	0	0	0	109.5	Q3	Q3-H5 PolarHBondContact O-N 3.35Å; Q3-H5 VanDerWaalsContact O-N 3.09Å
6	T	44.3	Very low	49	Very low	131 Å²	131	136.9 Å²	136.9	80%	0.804	77%	0.769	S	S	*	*			trans	-80.7	150.1	172.3	44.1	0	0	0	0	110.9	Q4	Q4-T6 PolarHBondContact O-N 3.09Å; Q4-T6 VanDerWaalsContact O-N 3.11Å
7	G	46.3	Very low	51.2	Low	71 Å²	71	135.8 Å²	135.8	73%	0.732	77%	0.767	S	S	*	*			trans	97.8	28	159.8	0	0	0	0	0	118.7	V9	G7-V9 PolarHBondContact O-N 3.1Å
8	C	46.4	Very low	53.3	Low	133 Å²	133	130.7 Å²	130.7	90%	0.899	74%	0.737	S	S	*	*			trans	-81.7	93.3	162.3	-162.1	0	0	0	0	110.1	N10	C8-N10 PolarHBondContact O-N 3.34Å
9	V	49	Very low	55.4	Low	102 Å²	102	126.8 Å²	126.8	62%	0.618	72%	0.717	S	S	*	*			trans	-71.5	123.9	174.8	-178.4	0	0	0	0	108.8	G7 L11	G7-V9 PolarHBondContact O-N 3.1Å; V9-L11 PolarHBondContact O-N 2.96Å
10	N	43.1	Very low	57.4	Low	126 Å²	126	125.4 Å²	125.4	67%	0.674	71%	0.711	S	S	*	*			trans	-71	96.2	178.9	-170	-16	0	0	0	110.2	C8 C12	C8-N10 PolarHBondContact O-N 3.34Å; N10-C12 PolarHBondContact O-N 2.95Å; N10-C12 VanDerWaalsContact O-N 3.09Å; N10-C12 WeakPolarHBondContact OD1-CB 3.38Å; N10-C12 PolarHBondContact OD1-SG 2.65Å
11	L	44.3	Very low	59.2	Low	131 Å²	131	119.6 Å²	119.6	69%	0.686	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-67.3	-10.8	-169.2	-142	75.2	0	0	0	114.3	V9 S13	V9-L11 PolarHBondContact O-N 2.96Å; L11-S13 PolarHBondContact O-N 3.5Å; L11-S13 VanDerWaalsContact O-N 3.08Å
12	C	48.1	Very low	61.7	Low	118 Å²	118	110.8 Å²	110.8	80%	0.797	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-66.7	-9.8	-169.9	-64.5	0	0	0	0	115.4	N10	N10-C12 PolarHBondContact O-N 2.95Å; N10-C12 VanDerWaalsContact O-N 3.09Å; N10-C12 WeakPolarHBondContact OD1-CB 3.38Å; N10-C12 PolarHBondContact OD1-SG 2.65Å
13	S	57	Low	64.5	Low	88 Å²	88	105.8 Å²	105.8	62%	0.615	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-159.5	97.8	160.5	-155	0	0	0	0	112.5	L11 T15	L11-S13 PolarHBondContact O-N 3.5Å; L11-S13 VanDerWaalsContact O-N 3.08Å; S13-T15 PolarHBondContact O-N 3.44Å; S13-T15 VanDerWaalsContact O-N 3.13Å
14	L	68.4	Low	67.4	Low	139 Å²	139	103.5 Å²	103.5	73%	0.728	60%	0.602	S	S	*	*			trans	-76.9	91.4	166.6	-70	176.5	0	0	0	109.6
15	T	70.8	Confident	70.1	Confident	117 Å²	117	97.9 Å²	97.9	72%	0.718	57%	0.574	S	S	*	*			trans	-83.7	115.7	-178	49.6	0	0	0	0	112.1	S13	S13-T15 PolarHBondContact O-N 3.44Å; S13-T15 VanDerWaalsContact O-N 3.13Å
16	S	79.8	Confident	72.9	Confident	65 Å²	65	89.8 Å²	89.8	46%	0.455	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-87.5	126.3	165.3	-175.8	0	0	0	0	108.9	H79 R82	S16-H79 PolarHBondContact O-NE2 3.21Å; S16-R82 PolarHBondContact OG-NH1 3.06Å
17	T	86.1	Confident	75.4	Confident	119 Å²	119	86 Å²	86	73%	0.73	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-84.2	149.1	170.4	46.6	0	0	0	0	110.9	H79	T17-H79 PolarHBondContact O-CE1 2.76Å; T17-H79 VanDerWaalsContact O-CE1 3.25Å
18	L	89.7	Confident	77.7	Confident	43 Å²	43	88.3 Å²	88.3	23%	0.225	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-83.1	123.7	174.1	179	64.2	0	0	0	109.3	A75 H79 I89 V92	L18-A75 HydrophobicContact CD2-CB 3.8Å; L18-H79 HydrophobicContact CD1-CB 4.14Å; L18-H79 PolarHBondContact N-CE1 2.95Å; L18-I89 HydrophobicContact CD1-CD1 3.75Å; L18-I89 HydrophobicContact CD1-CG1 3.93Å; L18-I89 HydrophobicContact CD1-CG2 4.21Å; L18-I89 HydrophobicContact CD2-CD1 4.03Å; L18-V92 HydrophobicContact CD2-CG1 4.14Å; L18-V92 HydrophobicContact CD2-CG2 4.31Å
19	P	92.9	Very high	80	Confident	57 Å²	57	84.8 Å²	84.8	37%	0.37	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-62.8	140.4	178.4	-26.4	36.6	0	0	0	113.4	F90 G91 V92	P19-F90 WeakPolarHBondContact CD-O 3.46Å; P19-F90 WeakPolarHBondContact CG-O 3.21Å; P19-G91 CarbonylContact O-C 3.56Å; P19-G91 WeakPolarHBondContact O-CA 3.31Å; P19-V92 PolarHBondContact O-N 3.38Å
20	V	94	Very high	82.1	Confident	98 Å²	98	85.8 Å²	85.8	59%	0.594	48%	0.479	S	S	*	.	B	Isolated β-bridge	trans	-94	122.2	163.1	-178.4	0	0	0	0	107.7	V92 N94	V20-V92 CarbonylContact C-O 3.36Å; V20-V92 WeakPolarHBondContact CA-O 3.36Å; V20-N94 HydrophobicContact CG1-CB 4.03Å
21	I	95.4	Very high	84.5	Confident	4 Å²	4	85.6 Å²	85.6	2%	0.021	47%	0.47	C	S	.	.			trans	-104.9	117.3	-176.9	-59.8	165.3	0	0	0	107.8	K25 L26 W48 V92 C93 V102	I21-K25 HydrophobicContact CG2-CB 4.13Å; I21-L26 HydrophobicContact CG2-CD1 4.33Å; I21-L26 HydrophobicContact CG2-CD2 4Å; I21-L26 HydrophobicContact CG2-CG 4.07Å; I21-W48 HydrophobicContact CD1-CH2 3.68Å; I21-W48 HydrophobicContact CD1-CZ3 4.16Å; I21-W48 HydrophobicContact CG1-CH2 4.11Å; I21-V92 PolarHBondContact N-O 3.11Å; I21-C93 VanDerWaalsContact O-CA 3.32Å; I21-C93 WeakPolarHBondContact O-CA 3.29Å; I21-C93 WeakPolarHBondContact O-CB 3.44Å; I21-C93 PolarHBondContact O-SG 2.97Å; I21-V102 HydrophobicContact CD1-CB 3.74Å; I21-V102 HydrophobicContact CD1-CG1 3.92Å; I21-V102 HydrophobicContact CD1-CG2 3.87Å
22	P	94.9	Very high	86.7	Confident	55 Å²	55	82.7 Å²	82.7	36%	0.357	46%	0.455	S	S	.	.			trans	-63.6	144.1	174.8	-19.7	31.8	0	0	0	111.4	Q24 K25	P22-Q24 PolarHBondContact O-N 3.09Å; P22-Q24 VanDerWaalsContact O-N 3.15Å; P22-K25 HydrophobicContact CB-CG 4.3Å; P22-K25 HydrophobicContact CG-CG 4.31Å; P22-K25 WeakPolarHBondContact O-CB 3.5Å; P22-K25 PolarHBondContact O-N 3.2Å
23	Y	93.4	Very high	88.5	Confident	94 Å²	94	79.8 Å²	79.8	37%	0.369	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-57.2	-35.3	-177.8	172.9	-118.3	0	0	0	112.2	K25 L26 L29 E95 F98	Y23-K25 PolarHBondContact O-N 2.75Å; Y23-L26 WeakPolarHBondContact O-CB 3.28Å; Y23-L26 PolarHBondContact O-N 3.3Å; Y23-L29 HydrophobicContact CE2-CD2 4.1Å; Y23-E95 WeakPolarHBondContact CB-OE1 3.44Å; Y23-E95 WeakPolarHBondContact CB-OE2 3.43Å; Y23-E95 PolarHBondContact N-OE1 2.8Å; Y23-F98 HydrophobicContact CD2-CB 4.22Å; Y23-F98 AromaticContact CD2-CD1 3.4Å; Y23-F98 HydrophobicContact CD2-CD1 3.4Å; Y23-F98 VanDerWaalsContact CD2-CD1 3.4Å; Y23-F98 AromaticContact CD2-CD2 3.99Å; Y23-F98 HydrophobicContact CD2-CD2 3.99Å; Y23-F98 AromaticContact CD2-CE1 3.61Å; Y23-F98 HydrophobicContact CD2-CE1 3.61Å; Y23-F98 HydrophobicContact CD2-CE2 4.18Å; Y23-F98 AromaticContact CD2-CG 3.59Å; Y23-F98 HydrophobicContact CD2-CG 3.59Å; Y23-F98 HydrophobicContact CD2-CZ 4Å; Y23-F98 AromaticContact CE2-CD1 3.99Å; Y23-F98 HydrophobicContact CE2-CD1 3.99Å; Y23-F98 AromaticContact CE2-CD2 3.77Å; Y23-F98 HydrophobicContact CE2-CD2 3.77Å; Y23-F98 AromaticContact CE2-CE1 3.95Å; Y23-F98 HydrophobicContact CE2-CE1 3.95Å; Y23-F98 AromaticContact CE2-CE2 3.74Å; Y23-F98 HydrophobicContact CE2-CE2 3.74Å; Y23-F98 AromaticContact CE2-CG 3.89Å; Y23-F98 HydrophobicContact CE2-CG 3.89Å; Y23-F98 AromaticContact CE2-CZ 3.83Å; Y23-F98 HydrophobicContact CE2-CZ 3.83Å; Y23-F98 HydrophobicContact CG-CB 4.39Å; Y23-F98 HydrophobicContact CG-CD1 4.2Å; Y23-F98 HydrophobicContact CG-CG 4.24Å
24	Q	95	Very high	89.6	Confident	123 Å²	123	80.8 Å²	80.8	58%	0.575	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-69.5	-5.9	-178.4	-38.8	74.8	32.8	0	0	113	P22 E95	P22-Q24 PolarHBondContact O-N 3.09Å; P22-Q24 VanDerWaalsContact O-N 3.15Å; Q24-E95 PolarHBondContact NE2-OE1 3.25Å; Q24-E95 PolarHBondContact NE2-OE2 3.2Å
25	K	96.8	Very high	89.7	Confident	63 Å²	63	75.5 Å²	75.5	27%	0.274	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-88.6	-13.2	170.8	-61.2	-58.9	-170.3	165.4	0	113.6	I21 P22 Y23 H45 C46 D47	I21-K25 HydrophobicContact CG2-CB 4.13Å; P22-K25 HydrophobicContact CB-CG 4.3Å; P22-K25 HydrophobicContact CG-CG 4.31Å; P22-K25 WeakPolarHBondContact O-CB 3.5Å; P22-K25 PolarHBondContact O-N 3.2Å; Y23-K25 PolarHBondContact O-N 2.75Å; K25-H45 CarbonylContact O-C 3.58Å; K25-H45 WeakPolarHBondContact O-CA 3.5Å; K25-C46 VanDerWaalsContact CD-SG 3.56Å; K25-C46 PolarHBondContact O-N 3.49Å; K25-D47 VanDerWaalsContact CD-OD2 3.27Å; K25-D47 WeakPolarHBondContact CD-OD2 3.3Å; K25-D47 WeakPolarHBondContact CE-OD2 3.48Å; K25-D47 IonicContact NZ-OD1 3.65Å; K25-D47 PolarHBondContact NZ-OD1 2.99Å; K25-D47 IonicContact NZ-OD2 2.71Å; K25-D47 PolarHBondContact NZ-OD2 3.49Å
26	L	96.1	Very high	89.4	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.042	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	104.2	-177.6	-58.5	172	0	0	0	108.7	I21 Y23 L29 V52 I54 C93 F98 V102	I21-L26 HydrophobicContact CG2-CD1 4.33Å; I21-L26 HydrophobicContact CG2-CD2 4Å; I21-L26 HydrophobicContact CG2-CG 4.07Å; Y23-L26 WeakPolarHBondContact O-CB 3.28Å; Y23-L26 PolarHBondContact O-N 3.3Å; L26-L29 HydrophobicContact CB-CD1 4.2Å; L26-L29 VanDerWaalsContact O-CD1 3.23Å; L26-L29 WeakPolarHBondContact O-CD1 3.4Å; L26-V52 HydrophobicContact CD2-CG2 4.07Å; L26-I54 HydrophobicContact CB-CD1 4Å; L26-I54 HydrophobicContact CD1-CD1 3.86Å; L26-I54 HydrophobicContact CD1-CG1 4.47Å; L26-I54 HydrophobicContact CD2-CD1 4.18Å; L26-I54 HydrophobicContact CG-CD1 4.22Å; L26-C93 HydrophobicContact CD1-CB 4.4Å; L26-F98 HydrophobicContact CD1-CE1 4.33Å; L26-V102 HydrophobicContact CD1-CG2 4.11Å; L26-V102 HydrophobicContact CD2-CG1 4.37Å; L26-V102 HydrophobicContact CD2-CG2 4.41Å
27	T	95.8	Very high	88.6	Confident	51 Å²	51	71.7 Å²	71.7	31%	0.313	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	167.6	-176.8	64.1	0	0	0	0	111.7	L29 A43 Q44 C46	T27-L29 VanDerWaalsContact C-N 3.31Å; T27-L29 PolarHBondContact O-N 3.43Å; T27-A43 CarbonylContact O-C 3.54Å; T27-A43 WeakPolarHBondContact O-CA 3.28Å; T27-A43 VanDerWaalsContact O-CB 3.3Å; T27-A43 WeakPolarHBondContact O-CB 3.08Å; T27-Q44 PolarHBondContact N-O 2.87Å; T27-Q44 PolarHBondContact O-N 3.33Å; T27-Q44 PolarHBondContact OG1-O 3.1Å; T27-C46 HydrophobicContact CG2-CB 4.24Å
28	D	94.9	Very high	88.2	Confident	120 Å²	120	66.2 Å²	66.2	64%	0.642	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.6	40.1	173.9	-45.3	-47.2	0	0	0	114.2	H30 Q44	D28-H30 PolarHBondContact O-N 3.31Å; D28-H30 VanDerWaalsContact O-N 3.1Å; D28-Q44 HydrophobicContact CB-CG 4.21Å; D28-Q44 WeakPolarHBondContact OD2-CG 3.43Å
29	L	93.9	Very high	87.9	Confident	59 Å²	59	65 Å²	65	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	111.1	-179.6	-88	69.2	0	0	0	111.2	Y23 L26 T27 K42 A43 I54 F98	Y23-L29 HydrophobicContact CE2-CD2 4.1Å; L26-L29 HydrophobicContact CB-CD1 4.2Å; L26-L29 VanDerWaalsContact O-CD1 3.23Å; L26-L29 WeakPolarHBondContact O-CD1 3.4Å; T27-L29 VanDerWaalsContact C-N 3.31Å; T27-L29 PolarHBondContact O-N 3.43Å; L29-K42 CarbonylContact C-O 3.58Å; L29-K42 WeakPolarHBondContact CA-O 3.4Å; L29-A43 HydrophobicContact CD1-CB 3.87Å; L29-A43 HydrophobicContact CG-CB 4.26Å; L29-I54 HydrophobicContact CD1-CD1 4.28Å; L29-I54 HydrophobicContact CG-CD1 4.22Å; L29-F98 HydrophobicContact CD2-CE2 4.15Å; L29-F98 HydrophobicContact CD2-CZ 3.96Å
30	H	94.4	Very high	87.8	Confident	123 Å²	123	64.2 Å²	64.2	57%	0.569	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.9	177.3	-175.6	-64.6	0	0	0	109.7	D28 L32 F41 K42	D28-H30 PolarHBondContact O-N 3.31Å; D28-H30 VanDerWaalsContact O-N 3.1Å; H30-L32 PolarHBondContact O-N 2.75Å; H30-F41 CarbonylContact O-C 3.05Å; H30-F41 VanDerWaalsContact O-CA 3.28Å; H30-F41 WeakPolarHBondContact O-CA 3.43Å; H30-K42 HydrophobicContact CB-CB 4.44Å; H30-K42 PolarHBondContact N-O 3.35Å; H30-K42 PolarHBondContact O-N 2.82Å
31	Y	93.4	Very high	87.8	Confident	122 Å²	122	61.8 Å²	61.8	48%	0.478	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	136.4	176.6	172.4	-88.5	0	0	0	111.8	K34 T39 F41	Y31-K34 HydrophobicContact CE2-CB 4.08Å; Y31-K34 WeakPolarHBondContact OH-CB 3.3Å; Y31-K34 PolarHBondContact OH-N 3.28Å; Y31-T39 HydrophobicContact CD2-CG2 3.79Å; Y31-T39 HydrophobicContact CE2-CG2 3.72Å; Y31-F41 HydrophobicContact CD2-CE1 4.43Å
32	L	90.3	Very high	87.8	Confident	70 Å²	70	65 Å²	65	37%	0.366	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-53.1	173.5	-62.4	176.9	0	0	0	111.3	H30 V40 K42 Y105	H30-L32 PolarHBondContact O-N 2.75Å; L32-V40 WeakPolarHBondContact CB-O 3.47Å; L32-V40 HydrophobicContact CD1-CG1 4.24Å; L32-V40 PolarHBondContact N-O 2.96Å; L32-K42 HydrophobicContact CD1-CB 4.05Å; L32-K42 HydrophobicContact CD2-CB 4.07Å; L32-K42 HydrophobicContact CG-CB 4.13Å; L32-Y105 HydrophobicContact CD1-CD2 4.48Å; L32-Y105 HydrophobicContact CD1-CE2 3.93Å
33	S	84.4	Confident	87.9	Confident	58 Å²	58	62.4 Å²	62.4	41%	0.406	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	163.8	-174.1	64.6	0	0	0	0	112.5	T39 V40	S33-T39 CarbonylContact O-C 3.49Å; S33-T39 WeakPolarHBondContact O-CA 3.35Å; S33-T39 WeakPolarHBondContact O-CG2 3.45Å; S33-V40 PolarHBondContact N-O 3.14Å; S33-V40 PolarHBondContact O-N 2.86Å
34	K	81.7	Confident	88.2	Confident	109 Å²	109	60.7 Å²	60.7	47%	0.474	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.5	170.4	-175.8	170.2	-177	171.5	0	108.2	Y31 G38 T39	Y31-K34 HydrophobicContact CE2-CB 4.08Å; Y31-K34 WeakPolarHBondContact OH-CB 3.3Å; Y31-K34 PolarHBondContact OH-N 3.28Å; K34-G38 WeakPolarHBondContact CA-O 3.43Å; K34-T39 HydrophobicContact CB-CG2 4.37Å
35	G	69.5	Low	88.3	Confident	28 Å²	28	55.1 Å²	55.1	29%	0.289	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-162	-176.5	0	0	0	0	0	112.9	F37 G38	G35-F37 PolarHBondContact O-N 3.34Å; G35-G38 PolarHBondContact N-O 3.05Å; G35-G38 PolarHBondContact O-N 3.21Å
36	G	64.3	Low	88.3	Confident	61 Å²	61	54.7 Å²	54.7	63%	0.629	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.3	178.1	0	0	0	0	0	114.1
37	F	64.1	Low	88.3	Confident	41 Å²	41	58.7 Å²	58.7	18%	0.18	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	9.2	-175.9	-55.5	-51.4	0	0	0	114.7	G35 K55 D154 D172 L175	G35-F37 PolarHBondContact O-N 3.34Å; F37-K55 WeakPolarHBondContact O-CE 3.45Å; F37-D154 WeakPolarHBondContact CE2-OD2 3.37Å; F37-D154 WeakPolarHBondContact CZ-OD2 3.45Å; F37-D172 HydrophobicContact CD2-CB 4.15Å; F37-D172 WeakPolarHBondContact CD2-OD2 3.41Å; F37-D172 HydrophobicContact CE2-CB 4.05Å; F37-L175 HydrophobicContact CB-CD1 3.79Å; F37-L175 HydrophobicContact CD1-CB 4.17Å; F37-L175 HydrophobicContact CD1-CD1 3.34Å; F37-L175 HydrophobicContact CD1-CG 4.37Å; F37-L175 HydrophobicContact CE1-CB 3.89Å; F37-L175 HydrophobicContact CE1-CD1 3.94Å; F37-L175 HydrophobicContact CG-CD1 3.71Å
38	G	76.7	Confident	88.4	Confident	3 Å²	3	61.6 Å²	61.6	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119.8	-155	179.4	0	0	0	0	0	113.8	K34 G35 C56	K34-G38 WeakPolarHBondContact CA-O 3.43Å; G35-G38 PolarHBondContact N-O 3.05Å; G35-G38 PolarHBondContact O-N 3.21Å; G38-C56 CarbonylContact C-O 3.46Å; G38-C56 VanDerWaalsContact CA-O 3.25Å; G38-C56 WeakPolarHBondContact CA-O 3.27Å
39	T	84.3	Confident	88.4	Confident	19 Å²	19	66.4 Å²	66.4	12%	0.117	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.4	178	-48	0	0	0	0	109	Y31 S33 K34 F41 C56	Y31-T39 HydrophobicContact CD2-CG2 3.79Å; Y31-T39 HydrophobicContact CE2-CG2 3.72Å; S33-T39 CarbonylContact O-C 3.49Å; S33-T39 WeakPolarHBondContact O-CA 3.35Å; S33-T39 WeakPolarHBondContact O-CG2 3.45Å; K34-T39 HydrophobicContact CB-CG2 4.37Å; T39-F41 HydrophobicContact CG2-CD2 4.3Å; T39-F41 HydrophobicContact CG2-CE1 4.44Å; T39-F41 HydrophobicContact CG2-CE2 3.54Å; T39-F41 HydrophobicContact CG2-CZ 3.62Å; T39-C56 PolarHBondContact N-O 3.41Å; T39-C56 PolarHBondContact O-N 3.02Å
40	V	90.3	Very high	88.5	Confident	39 Å²	39	66.7 Å²	66.7	24%	0.236	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.1	179.9	-166.9	0	0	0	0	110.2	L32 S33 I54	L32-V40 WeakPolarHBondContact CB-O 3.47Å; L32-V40 HydrophobicContact CD1-CG1 4.24Å; L32-V40 PolarHBondContact N-O 2.96Å; S33-V40 PolarHBondContact N-O 3.14Å; S33-V40 PolarHBondContact O-N 2.86Å; V40-I54 CarbonylContact C-O 3.52Å; V40-I54 VanDerWaalsContact CA-O 3.28Å; V40-I54 WeakPolarHBondContact CA-O 3.49Å
41	F	93.8	Very high	88.7	Confident	48 Å²	48	62.8 Å²	62.8	21%	0.211	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.9	175.9	-57.6	-98.1	0	0	0	110.4	H30 Y31 T39 A53 I54 C56	H30-F41 CarbonylContact O-C 3.05Å; H30-F41 VanDerWaalsContact O-CA 3.28Å; H30-F41 WeakPolarHBondContact O-CA 3.43Å; Y31-F41 HydrophobicContact CD2-CE1 4.43Å; T39-F41 HydrophobicContact CG2-CD2 4.3Å; T39-F41 HydrophobicContact CG2-CE1 4.44Å; T39-F41 HydrophobicContact CG2-CE2 3.54Å; T39-F41 HydrophobicContact CG2-CZ 3.62Å; F41-A53 CarbonylContact O-C 3.59Å; F41-A53 WeakPolarHBondContact O-CA 3.49Å; F41-I54 HydrophobicContact CB-CB 4.39Å; F41-I54 PolarHBondContact N-O 3.46Å; F41-I54 PolarHBondContact O-N 3.33Å; F41-C56 HydrophobicContact CE2-CB 4.44Å
42	K	96.6	Very high	88.9	Confident	70 Å²	70	57 Å²	57	30%	0.304	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.6	158.5	-179.4	-170.3	178.5	-166.8	0	107.9	L29 H30 L32 T51 Y105	L29-K42 CarbonylContact C-O 3.58Å; L29-K42 WeakPolarHBondContact CA-O 3.4Å; H30-K42 HydrophobicContact CB-CB 4.44Å; H30-K42 PolarHBondContact N-O 3.35Å; H30-K42 PolarHBondContact O-N 2.82Å; L32-K42 HydrophobicContact CD1-CB 4.05Å; L32-K42 HydrophobicContact CD2-CB 4.07Å; L32-K42 HydrophobicContact CG-CB 4.13Å; K42-T51 HydrophobicContact CD-CG2 4.12Å; K42-T51 HydrophobicContact CG-CG2 3.67Å; K42-Y105 HydrophobicContact CB-CD2 4.49Å; K42-Y105 HydrophobicContact CB-CE2 4.22Å; K42-Y105 HydrophobicContact CD-CE1 4.43Å; K42-Y105 HydrophobicContact CD-CE2 4.28Å; K42-Y105 HydrophobicContact CG-CD2 4.19Å; K42-Y105 HydrophobicContact CG-CE2 4.05Å
43	A	97	Very high	89.2	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	172.2	170.7	0	0	0	0	0	110.8	T27 L29 T51 V52 I54	T27-A43 CarbonylContact O-C 3.54Å; T27-A43 WeakPolarHBondContact O-CA 3.28Å; T27-A43 VanDerWaalsContact O-CB 3.3Å; T27-A43 WeakPolarHBondContact O-CB 3.08Å; L29-A43 HydrophobicContact CD1-CB 3.87Å; L29-A43 HydrophobicContact CG-CB 4.26Å; A43-T51 CarbonylContact O-C 3.51Å; A43-T51 WeakPolarHBondContact O-CA 3.47Å; A43-V52 HydrophobicContact CB-CG2 3.98Å; A43-V52 PolarHBondContact N-O 3.17Å; A43-V52 PolarHBondContact O-N 3.26Å; A43-I54 HydrophobicContact CB-CD1 3.38Å; A43-I54 HydrophobicContact CB-CG1 4.12Å
44	Q	98	Very high	89.6	Confident	59 Å²	59	51.4 Å²	51.4	28%	0.276	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137	164.9	-55.3	-68.4	14.3	0	0	109.2	T27 D28 T51	T27-Q44 PolarHBondContact N-O 2.87Å; T27-Q44 PolarHBondContact O-N 3.33Å; T27-Q44 PolarHBondContact OG1-O 3.1Å; D28-Q44 HydrophobicContact CB-CG 4.21Å; D28-Q44 WeakPolarHBondContact OD2-CG 3.43Å; Q44-T51 PolarHBondContact NE2-OG1 3.15Å; Q44-T51 PolarHBondContact OE1-OG1 3.04Å
45	H	97.8	Very high	89.9	Confident	6 Å²	6	47 Å²	47	3%	0.028	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	113.1	166.1	-172.1	-55.1	0	0	0	109.2	K25 D47 W48 R49 T50 V52	K25-H45 CarbonylContact O-C 3.58Å; K25-H45 WeakPolarHBondContact O-CA 3.5Å; H45-D47 IonicContact CE1-OD2 3.86Å; H45-D47 PolarHBondContact ND1-N 2.86Å; H45-D47 PolarHBondContact O-N 2.93Å; H45-W48 HydrophobicContact CB-CB 4.26Å; H45-W48 HydrophobicContact CB-CD2 4.15Å; H45-W48 HydrophobicContact CB-CE3 3.75Å; H45-W48 HydrophobicContact CB-CG 4.39Å; H45-W48 HydrophobicContact CB-CZ3 4.46Å; H45-W48 AromaticContact CD2-CD2 3.56Å; H45-W48 AromaticContact CD2-CE2 3.82Å; H45-W48 AromaticContact CD2-CE3 3.37Å; H45-W48 AromaticContact CD2-CH2 3.79Å; H45-W48 AromaticContact CD2-CZ2 3.95Å; H45-W48 AromaticContact CD2-CZ3 3.48Å; H45-W48 VanDerWaalsContact CD2-CZ3 3.48Å; H45-W48 WeakPolarHBondContact CD2-CZ3 3.21Å; H45-W48 AromaticContact CE1-CD1 3.97Å; H45-W48 AromaticContact CE1-CD2 3.82Å; H45-W48 AromaticContact CE1-CE2 3.75Å; H45-W48 AromaticContact CE1-CG 3.97Å; H45-W48 AromaticContact CE1-NE1 3.82Å; H45-W48 AromaticContact CG-CD2 3.52Å; H45-W48 AromaticContact CG-CE3 3.46Å; H45-W48 VanDerWaalsContact CG-CE3 3.46Å; H45-W48 AromaticContact CG-CG 3.86Å; H45-W48 AromaticContact ND1-CD1 4Å; H45-W48 AromaticContact ND1-CD2 3.69Å; H45-W48 AromaticContact ND1-CG 3.63Å; H45-W48 PolarHBondContact ND1-N 2.98Å; H45-W48 AromaticContact NE2-CD2 3.77Å; H45-W48 AromaticContact NE2-CE2 3.57Å; H45-W48 AromaticContact NE2-CH2 3.97Å; H45-W48 AromaticContact NE2-CZ2 3.7Å; H45-W48 PolarHBondContact O-N 3.26Å; H45-R49 WeakPolarHBondContact O-CA 3.29Å; H45-R49 PolarHBondContact O-N 3.19Å; H45-T50 PolarHBondContact N-O 3.15Å; H45-V52 HydrophobicContact CB-CG1 4.24Å
46	C	96.6	Very high	90.5	Very high	54 Å²	54	46 Å²	46	37%	0.365	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.2	-165.8	67.9	0	0	0	0	114.6	K25 T27	K25-C46 VanDerWaalsContact CD-SG 3.56Å; K25-C46 PolarHBondContact O-N 3.49Å; T27-C46 HydrophobicContact CG2-CB 4.24Å
47	D	97.3	Very high	90.7	Very high	91 Å²	91	44.9 Å²	44.9	49%	0.487	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-47.9	176.2	-57.9	-32.8	0	0	0	112.6	K25 H45 R49	K25-D47 VanDerWaalsContact CD-OD2 3.27Å; K25-D47 WeakPolarHBondContact CD-OD2 3.3Å; K25-D47 WeakPolarHBondContact CE-OD2 3.48Å; K25-D47 IonicContact NZ-OD1 3.65Å; K25-D47 PolarHBondContact NZ-OD1 2.99Å; K25-D47 IonicContact NZ-OD2 2.71Å; K25-D47 PolarHBondContact NZ-OD2 3.49Å; H45-D47 IonicContact CE1-OD2 3.86Å; H45-D47 PolarHBondContact ND1-N 2.86Å; H45-D47 PolarHBondContact O-N 2.93Å; D47-R49 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 2.92Å
48	W	96.8	Very high	90.5	Very high	113 Å²	113	48.4 Å²	48.4	43%	0.428	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.7	-176.8	-53.8	-20.2	0	0	0	113.1	I21 H45 T50 F90	I21-W48 HydrophobicContact CD1-CH2 3.68Å; I21-W48 HydrophobicContact CD1-CZ3 4.16Å; I21-W48 HydrophobicContact CG1-CH2 4.11Å; H45-W48 HydrophobicContact CB-CB 4.26Å; H45-W48 HydrophobicContact CB-CD2 4.15Å; H45-W48 HydrophobicContact CB-CE3 3.75Å; H45-W48 HydrophobicContact CB-CG 4.39Å; H45-W48 HydrophobicContact CB-CZ3 4.46Å; H45-W48 AromaticContact CD2-CD2 3.56Å; H45-W48 AromaticContact CD2-CE2 3.82Å; H45-W48 AromaticContact CD2-CE3 3.37Å; H45-W48 AromaticContact CD2-CH2 3.79Å; H45-W48 AromaticContact CD2-CZ2 3.95Å; H45-W48 AromaticContact CD2-CZ3 3.48Å; H45-W48 VanDerWaalsContact CD2-CZ3 3.48Å; H45-W48 WeakPolarHBondContact CD2-CZ3 3.21Å; H45-W48 AromaticContact CE1-CD1 3.97Å; H45-W48 AromaticContact CE1-CD2 3.82Å; H45-W48 AromaticContact CE1-CE2 3.75Å; H45-W48 AromaticContact CE1-CG 3.97Å; H45-W48 AromaticContact CE1-NE1 3.82Å; H45-W48 AromaticContact CG-CD2 3.52Å; H45-W48 AromaticContact CG-CE3 3.46Å; H45-W48 VanDerWaalsContact CG-CE3 3.46Å; H45-W48 AromaticContact CG-CG 3.86Å; H45-W48 AromaticContact ND1-CD1 4Å; H45-W48 AromaticContact ND1-CD2 3.69Å; H45-W48 AromaticContact ND1-CG 3.63Å; H45-W48 PolarHBondContact ND1-N 2.98Å; H45-W48 AromaticContact NE2-CD2 3.77Å; H45-W48 AromaticContact NE2-CE2 3.57Å; H45-W48 AromaticContact NE2-CH2 3.97Å; H45-W48 AromaticContact NE2-CZ2 3.7Å; H45-W48 PolarHBondContact O-N 3.26Å; W48-T50 PolarHBondContact O-N 3.32Å; W48-T50 PolarHBondContact O-OG1 2.98Å; W48-F90 HydrophobicContact CH2-CB 3.93Å; W48-F90 HydrophobicContact CZ3-CB 3.69Å; W48-F90 HydrophobicContact CZ3-CD2 4.05Å; W48-F90 HydrophobicContact CZ3-CG 4.11Å
49	R	95.5	Very high	89.5	Confident	221 Å²	221	51.6 Å²	51.6	83%	0.834	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	24.8	-173.7	-52.9	-179.1	-179.4	-176.5	-0.8	113.9	H45 D47	H45-R49 WeakPolarHBondContact O-CA 3.29Å; H45-R49 PolarHBondContact O-N 3.19Å; D47-R49 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 2.92Å
50	T	95.9	Very high	87.8	Confident	65 Å²	65	56.7 Å²	56.7	40%	0.399	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.7	-177.2	-56.3	0	0	0	0	110.6	H45 W48	H45-T50 PolarHBondContact N-O 3.15Å; W48-T50 PolarHBondContact O-N 3.32Å; W48-T50 PolarHBondContact O-OG1 2.98Å
51	T	97.7	Very high	86	Confident	40 Å²	40	58.7 Å²	58.7	25%	0.245	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.2	170.3	-59	0	0	0	0	110.5	K42 A43 Q44 Y105	K42-T51 HydrophobicContact CD-CG2 4.12Å; K42-T51 HydrophobicContact CG-CG2 3.67Å; A43-T51 CarbonylContact O-C 3.51Å; A43-T51 WeakPolarHBondContact O-CA 3.47Å; Q44-T51 PolarHBondContact NE2-OG1 3.15Å; Q44-T51 PolarHBondContact OE1-OG1 3.04Å; T51-Y105 HydrophobicContact CG2-CD1 3.52Å; T51-Y105 HydrophobicContact CG2-CD2 4.38Å; T51-Y105 HydrophobicContact CG2-CE1 4.21Å; T51-Y105 HydrophobicContact CG2-CG 3.61Å; T51-Y105 WeakPolarHBondContact O-CB 3.44Å
52	V	97.7	Very high	84.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.2	-179.1	-59.4	0	0	0	0	110.9	L26 A43 H45 I54 F90 V102 T103	L26-V52 HydrophobicContact CD2-CG2 4.07Å; A43-V52 HydrophobicContact CB-CG2 3.98Å; A43-V52 PolarHBondContact N-O 3.17Å; A43-V52 PolarHBondContact O-N 3.26Å; H45-V52 HydrophobicContact CB-CG1 4.24Å; V52-I54 HydrophobicContact CG2-CG1 4.2Å; V52-F90 HydrophobicContact CG1-CD2 3.81Å; V52-F90 HydrophobicContact CG1-CE2 4.02Å; V52-V102 HydrophobicContact CB-CG1 3.71Å; V52-V102 HydrophobicContact CG1-CG1 4.02Å; V52-V102 HydrophobicContact CG2-CG1 3.82Å; V52-T103 WeakPolarHBondContact CA-O 3.49Å; V52-T103 WeakPolarHBondContact CB-O 3.41Å
53	A	96.5	Very high	82.4	Confident	12 Å²	12	60.9 Å²	60.9	10%	0.099	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	139.9	162.5	0	0	0	0	0	109.3	F41 V102 T103 Y105	F41-A53 CarbonylContact O-C 3.59Å; F41-A53 WeakPolarHBondContact O-CA 3.49Å; A53-V102 WeakPolarHBondContact O-CA 3.3Å; A53-T103 PolarHBondContact N-O 3.03Å; A53-T103 PolarHBondContact O-N 3.45Å; A53-Y105 HydrophobicContact CB-CD2 4.4Å
54	I	93.1	Very high	81	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.7	178.4	-57.8	172.3	0	0	0	108.3	L26 L29 V40 F41 A43 V52 F98 C100 I101	L26-I54 HydrophobicContact CB-CD1 4Å; L26-I54 HydrophobicContact CD1-CD1 3.86Å; L26-I54 HydrophobicContact CD1-CG1 4.47Å; L26-I54 HydrophobicContact CD2-CD1 4.18Å; L26-I54 HydrophobicContact CG-CD1 4.22Å; L29-I54 HydrophobicContact CD1-CD1 4.28Å; L29-I54 HydrophobicContact CG-CD1 4.22Å; V40-I54 CarbonylContact C-O 3.52Å; V40-I54 VanDerWaalsContact CA-O 3.28Å; V40-I54 WeakPolarHBondContact CA-O 3.49Å; F41-I54 HydrophobicContact CB-CB 4.39Å; F41-I54 PolarHBondContact N-O 3.46Å; F41-I54 PolarHBondContact O-N 3.33Å; A43-I54 HydrophobicContact CB-CD1 3.38Å; A43-I54 HydrophobicContact CB-CG1 4.12Å; V52-I54 HydrophobicContact CG2-CG1 4.2Å; I54-F98 HydrophobicContact CG2-CE1 4.27Å; I54-F98 HydrophobicContact CG2-CZ 4.16Å; I54-C100 HydrophobicContact CG2-CB 3.53Å; I54-C100 WeakPolarHBondContact CG2-SG 3.43Å; I54-I101 WeakPolarHBondContact CA-O 3.3Å
55	K	88.6	Confident	79.8	Confident	17 Å²	17	67.1 Å²	67.1	7%	0.074	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	103.6	175.8	-177.2	-176.8	179.1	-176.3	0	109.7	F37 E74 C100 I101 D172	F37-K55 WeakPolarHBondContact O-CE 3.45Å; K55-E74 IonicContact NZ-OE1 3.23Å; K55-E74 PolarHBondContact NZ-OE1 3.1Å; K55-C100 VanDerWaalsContact O-CA 3.23Å; K55-C100 WeakPolarHBondContact O-CA 3.21Å; K55-C100 VanDerWaalsContact O-CB 3.27Å; K55-C100 WeakPolarHBondContact O-CB 3.21Å; K55-I101 HydrophobicContact CB-CB 4.48Å; K55-I101 PolarHBondContact N-O 3.37Å; K55-I101 PolarHBondContact O-N 3.12Å; K55-D172 IonicContact NZ-OD1 2.72Å; K55-D172 PolarHBondContact NZ-OD1 3.03Å; K55-D172 IonicContact NZ-OD2 2.79Å; K55-D172 PolarHBondContact NZ-OD2 2.75Å
56	C	81.9	Confident	78.7	Confident	6 Å²	6	76.1 Å²	76.1	4%	0.041	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138	174.6	-55.7	0	0	0	0	109.6	G38 T39 F41 C100	G38-C56 CarbonylContact C-O 3.46Å; G38-C56 VanDerWaalsContact CA-O 3.25Å; G38-C56 WeakPolarHBondContact CA-O 3.27Å; T39-C56 PolarHBondContact N-O 3.41Å; T39-C56 PolarHBondContact O-N 3.02Å; F41-C56 HydrophobicContact CE2-CB 4.44Å; C56-C100 HydrophobicContact CB-CB 4.42Å
57	L	69.4	Low	77.5	Confident	38 Å²	38	77.6 Å²	77.6	20%	0.199	39%	0.388	C	S	.	.			trans	-69	171	171.3	-65.5	-179	0	0	0	111.5	L59 L71	L57-L59 PolarHBondContact O-N 3.05Å; L57-L71 HydrophobicContact CD1-CB 4.1Å; L57-L71 HydrophobicContact CD1-CD1 3.95Å; L57-L71 HydrophobicContact CD2-CD1 4.31Å; L57-L71 HydrophobicContact CG-CD1 3.73Å
58	K	59.3	Low	76.5	Confident	115 Å²	115	76.1 Å²	76.1	50%	0.5	38%	0.376	S	S	.	.			trans	-68.6	104.4	172.2	-75.2	-173.1	-179.4	-179.2	0	110.1	D60	K58-D60 PolarHBondContact O-N 3.3Å
59	L	55	Low	75.6	Confident	69 Å²	69	74.6 Å²	74.6	36%	0.361	38%	0.376	S	S	.	.			trans	-88.1	46.6	176.7	-63.8	168.1	0	0	0	111.2	L57 S61 V63	L57-L59 PolarHBondContact O-N 3.05Å; L59-S61 PolarHBondContact O-N 3.25Å; L59-V63 HydrophobicContact CD2-CG2 3.22Å
60	D	49.5	Very low	74.5	Confident	126 Å²	126	65 Å²	65	67%	0.674	34%	0.342	S	S	*	.	S	Bend	trans	-79.4	-0.3	178.5	-56.5	-37.1	0	0	0	111.6	K58	K58-D60 PolarHBondContact O-N 3.3Å
61	S	53.1	Low	73.6	Confident	81 Å²	81	61.9 Å²	61.9	57%	0.566	32%	0.323	S	S	*	.	S	Bend	trans	-149.1	166.1	170	72.9	0	0	0	0	109.4	L59 V63	L59-S61 PolarHBondContact O-N 3.25Å; S61-V63 PolarHBondContact O-N 3.5Å
62	P	57	Low	72.8	Confident	123 Å²	123	62.8 Å²	62.8	80%	0.799	33%	0.326	S	S	*	.	S	Bend	trans	-51.8	141.2	162.4	22.7	-34.5	0	0	0	110.6	G64	P62-G64 PolarHBondContact O-N 3.27Å; P62-G64 VanDerWaalsContact O-N 3.15Å
63	V	57	Low	71.9	Confident	42 Å²	42	68.1 Å²	68.1	26%	0.255	35%	0.35	S	S	.	.			trans	-67.4	112.7	-176.1	-175.9	0	0	0	0	109.5	L59 S61 E67 R68 F99	L59-V63 HydrophobicContact CD2-CG2 3.22Å; S61-V63 PolarHBondContact O-N 3.5Å; V63-E67 HydrophobicContact CG1-CB 4.21Å; V63-R68 HydrophobicContact CG1-CB 3.83Å; V63-R68 HydrophobicContact CG1-CG 4.41Å; V63-F99 HydrophobicContact CG1-CD1 4.5Å
64	G	66.6	Low	71.1	Confident	29 Å²	29	67.8 Å²	67.8	30%	0.299	35%	0.346	S	S	.	.			trans	-64.3	145.7	167.7	0	0	0	0	0	110.6	P62 R66 E67 R68	P62-G64 PolarHBondContact O-N 3.27Å; P62-G64 VanDerWaalsContact O-N 3.15Å; G64-R66 PolarHBondContact O-N 3.38Å; G64-E67 VanDerWaalsContact C-OE2 3.3Å; G64-E67 WeakPolarHBondContact CA-OE2 3.48Å; G64-E67 PolarHBondContact O-N 3.32Å; G64-R68 PolarHBondContact O-N 2.99Å
65	E	74.4	Confident	70.8	Confident	162 Å²	162	67.8 Å²	67.8	76%	0.757	35%	0.346	S	S	*	.	H	α-helix	trans	-56.5	-27.2	179.8	-61.5	-175.5	144.7	0	0	112.3	N69	E65-N69 VanDerWaalsContact O-CB 3.27Å; E65-N69 WeakPolarHBondContact O-CB 3.44Å; E65-N69 VanDerWaalsContact O-CG 3.25Å; E65-N69 PolarHBondContact O-N 3.2Å; E65-N69 PolarHBondContact O-ND2 3.48Å
66	R	73.2	Confident	70.6	Confident	194 Å²	194	71.2 Å²	71.2	73%	0.732	36%	0.362	S	S	*	.	H	α-helix	trans	-63.2	-54.4	175.1	-66.6	-177.9	-66.7	-144.2	-4.2	110.7	G64 R68 N69 C70	G64-R66 PolarHBondContact O-N 3.38Å; R66-R68 VanDerWaalsContact C-N 3.27Å; R66-R68 PolarHBondContact O-N 3.01Å; R66-N69 CarbonylContact O-C 3.55Å; R66-N69 WeakPolarHBondContact O-CA 3.3Å; R66-N69 PolarHBondContact O-N 3.31Å; R66-C70 PolarHBondContact O-N 3.22Å; R66-C70 PolarHBondContact O-SG 3.48Å
67	E	72.4	Confident	70.7	Confident	86 Å²	86	73 Å²	73	40%	0.402	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-37.6	179.9	-65.1	66.3	-148.1	0	0	111.2	V63 G64 C70 L71	V63-E67 HydrophobicContact CG1-CB 4.21Å; G64-E67 VanDerWaalsContact C-OE2 3.3Å; G64-E67 WeakPolarHBondContact CA-OE2 3.48Å; G64-E67 PolarHBondContact O-N 3.32Å; E67-C70 WeakPolarHBondContact O-CB 3.42Å; E67-C70 PolarHBondContact O-N 2.77Å; E67-L71 PolarHBondContact O-N 2.7Å
68	R	76.6	Confident	71.7	Confident	60 Å²	60	71.6 Å²	71.6	23%	0.226	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-47.9	171.5	-156	170.6	173.1	98.8	-14.3	111.8	V63 G64 R66 C70 L71 L72 N94 E95 F99	V63-R68 HydrophobicContact CG1-CB 3.83Å; V63-R68 HydrophobicContact CG1-CG 4.41Å; G64-R68 PolarHBondContact O-N 2.99Å; R66-R68 VanDerWaalsContact C-N 3.27Å; R66-R68 PolarHBondContact O-N 3.01Å; R68-C70 VanDerWaalsContact C-N 3.26Å; R68-C70 PolarHBondContact O-N 3.27Å; R68-L71 PolarHBondContact O-N 3.16Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 2.89Å; R68-L72 VanDerWaalsContact O-N 3.14Å; R68-N94 PolarHBondContact NE-OD1 2.71Å; R68-N94 PolarHBondContact NH2-O 3.35Å; R68-N94 PolarHBondContact NH2-OD1 3.48Å; R68-E95 PolarHBondContact NH1-O 2.95Å; R68-F99 HydrophobicContact CB-CE1 4.22Å; R68-F99 HydrophobicContact CB-CZ 4.21Å; R68-F99 HydrophobicContact CG-CD1 4.36Å; R68-F99 HydrophobicContact CG-CD2 4.21Å; R68-F99 HydrophobicContact CG-CE1 3.86Å; R68-F99 HydrophobicContact CG-CE2 3.7Å; R68-F99 HydrophobicContact CG-CZ 3.49Å; R68-F99 VanDerWaalsContact CG-CZ 3.49Å; R68-F99 VanDerWaalsContact O-CZ 3.29Å; R68-F99 WeakPolarHBondContact O-CZ 3.25Å
69	N	77.6	Confident	73.1	Confident	81 Å²	81	67.1 Å²	67.1	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-68.8	-18.9	176.6	-75.7	-52.3	0	0	0	113.8	E65 R66 K73	E65-N69 VanDerWaalsContact O-CB 3.27Å; E65-N69 WeakPolarHBondContact O-CB 3.44Å; E65-N69 VanDerWaalsContact O-CG 3.25Å; E65-N69 PolarHBondContact O-N 3.2Å; E65-N69 PolarHBondContact O-ND2 3.48Å; R66-N69 CarbonylContact O-C 3.55Å; R66-N69 WeakPolarHBondContact O-CA 3.3Å; R66-N69 PolarHBondContact O-N 3.31Å; N69-K73 WeakPolarHBondContact O-CD 3.36Å; N69-K73 WeakPolarHBondContact O-CG 3.35Å
70	C	72.9	Confident	74.8	Confident	19 Å²	19	69.9 Å²	69.9	13%	0.128	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-54.1	170.4	-60.1	0	0	0	0	111	R66 E67 R68 K73 E74 W178	R66-C70 PolarHBondContact O-N 3.22Å; R66-C70 PolarHBondContact O-SG 3.48Å; E67-C70 WeakPolarHBondContact O-CB 3.42Å; E67-C70 PolarHBondContact O-N 2.77Å; R68-C70 VanDerWaalsContact C-N 3.26Å; R68-C70 PolarHBondContact O-N 3.27Å; C70-K73 WeakPolarHBondContact O-CB 3.5Å; C70-K73 PolarHBondContact O-N 2.99Å; C70-E74 PolarHBondContact O-N 3.02Å; C70-W178 HydrophobicContact CB-CD2 4.16Å; C70-W178 HydrophobicContact CB-CH2 4.4Å; C70-W178 HydrophobicContact CB-CZ2 3.87Å; C70-W178 WeakPolarHBondContact SG-CH2 3.34Å; C70-W178 WeakPolarHBondContact SG-CZ2 3.24Å; C70-W178 WeakPolarHBondContact SG-CZ3 3.33Å
71	L	75.4	Confident	76.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-71.2	-34.2	-175.6	-175.2	146.5	0	0	0	112.5	L57 E67 R68 K73 E74 A75 V92 F99 I101	L57-L71 HydrophobicContact CD1-CB 4.1Å; L57-L71 HydrophobicContact CD1-CD1 3.95Å; L57-L71 HydrophobicContact CD2-CD1 4.31Å; L57-L71 HydrophobicContact CG-CD1 3.73Å; E67-L71 PolarHBondContact O-N 2.7Å; R68-L71 PolarHBondContact O-N 3.16Å; L71-K73 PolarHBondContact O-N 2.95Å; L71-E74 WeakPolarHBondContact O-CB 3.43Å; L71-E74 PolarHBondContact O-N 3.37Å; L71-A75 VanDerWaalsContact O-CB 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.37Å; L71-V92 HydrophobicContact CD2-CG1 4.13Å; L71-F99 HydrophobicContact CB-CE1 3.48Å; L71-F99 VanDerWaalsContact CB-CE1 3.48Å; L71-F99 HydrophobicContact CB-CZ 3.71Å; L71-F99 HydrophobicContact CD1-CD1 4.3Å; L71-F99 HydrophobicContact CD1-CE1 3.95Å; L71-F99 HydrophobicContact CD1-CZ 4.49Å; L71-F99 HydrophobicContact CD2-CE1 3.78Å; L71-F99 HydrophobicContact CD2-CE2 3.97Å; L71-F99 HydrophobicContact CD2-CZ 3.46Å; L71-F99 VanDerWaalsContact CD2-CZ 3.46Å; L71-F99 HydrophobicContact CG-CE1 3.93Å; L71-F99 HydrophobicContact CG-CZ 4.06Å; L71-I101 HydrophobicContact CD1-CD1 4.5Å; L71-I101 HydrophobicContact CD1-CG1 3.94Å; L71-I101 HydrophobicContact CD2-CD1 4.41Å; L71-I101 HydrophobicContact CD2-CG1 3.64Å; L71-I101 HydrophobicContact CG-CD1 4.03Å; L71-I101 HydrophobicContact CG-CG1 3.67Å
72	L	82.2	Confident	78.6	Confident	59 Å²	59	64.7 Å²	64.7	31%	0.309	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-35.1	173	-69.5	176.9	0	0	0	111.6	R68 E76 V92 F99	R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 2.89Å; R68-L72 VanDerWaalsContact O-N 3.14Å; L72-E76 WeakPolarHBondContact O-CB 3.44Å; L72-E76 PolarHBondContact O-N 3.07Å; L72-V92 HydrophobicContact CD2-CG2 4.47Å; L72-F99 HydrophobicContact CD2-CE2 4.26Å; L72-F99 HydrophobicContact CD2-CZ 4.43Å; L72-F99 HydrophobicContact CG-CE2 4.41Å; L72-F99 HydrophobicContact CG-CZ 4.18Å
73	K	78.9	Confident	80.5	Confident	112 Å²	112	61.8 Å²	61.8	49%	0.487	29%	0.289	S	S	.	.	H	α-helix	trans	-74.2	-38.8	173.4	-69.6	170.7	-176.9	174.7	0	112.7	N69 C70 L71 A75 E76 V77 W178	N69-K73 WeakPolarHBondContact O-CD 3.36Å; N69-K73 WeakPolarHBondContact O-CG 3.35Å; C70-K73 WeakPolarHBondContact O-CB 3.5Å; C70-K73 PolarHBondContact O-N 2.99Å; L71-K73 PolarHBondContact O-N 2.95Å; K73-A75 VanDerWaalsContact C-N 3.31Å; K73-A75 PolarHBondContact O-N 3.43Å; K73-E76 PolarHBondContact O-N 3.34Å; K73-V77 WeakPolarHBondContact O-CB 3.49Å; K73-V77 VanDerWaalsContact O-CG2 3.23Å; K73-V77 WeakPolarHBondContact O-CG2 3.28Å; K73-V77 PolarHBondContact O-N 3.3Å; K73-W178 HydrophobicContact CD-CZ2 4.39Å
74	E	78.8	Confident	82.4	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-47	171.4	-174.1	-174.3	178.2	0	0	110.5	K55 C70 L71 V77 L78 I101 L175	K55-E74 IonicContact NZ-OE1 3.23Å; K55-E74 PolarHBondContact NZ-OE1 3.1Å; C70-E74 PolarHBondContact O-N 3.02Å; L71-E74 WeakPolarHBondContact O-CB 3.43Å; L71-E74 PolarHBondContact O-N 3.37Å; E74-V77 PolarHBondContact O-N 3.08Å; E74-L78 HydrophobicContact CG-CD1 4.09Å; E74-L78 WeakPolarHBondContact O-CD1 3.46Å; E74-L78 PolarHBondContact O-N 3.01Å; E74-I101 HydrophobicContact CB-CD1 4.14Å; E74-I101 VanDerWaalsContact CD-CD1 3.49Å; E74-I101 HydrophobicContact CG-CD1 3.73Å; E74-L175 HydrophobicContact CG-CD2 4.32Å; E74-L175 HydrophobicContact CG-CG 4.28Å; E74-L175 WeakPolarHBondContact OE1-CD1 3.48Å; E74-L175 WeakPolarHBondContact OE2-CD2 3.34Å
75	A	86.4	Confident	83.9	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-40.3	179	0	0	0	0	0	113	L18 L71 K73 V77 L78 H79 I89 V92 I101	L18-A75 HydrophobicContact CD2-CB 3.8Å; L71-A75 VanDerWaalsContact O-CB 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.37Å; K73-A75 VanDerWaalsContact C-N 3.31Å; K73-A75 PolarHBondContact O-N 3.43Å; A75-V77 VanDerWaalsContact C-N 3.32Å; A75-V77 PolarHBondContact O-N 2.88Å; A75-L78 PolarHBondContact O-N 3.22Å; A75-H79 WeakPolarHBondContact O-CB 3.33Å; A75-H79 PolarHBondContact O-N 2.91Å; A75-I89 HydrophobicContact CB-CD1 3.64Å; A75-V92 HydrophobicContact CB-CG1 3.56Å; A75-I101 HydrophobicContact CB-CD1 4.26Å; A75-I101 HydrophobicContact CB-CG1 4.33Å
76	E	85.5	Confident	85	Confident	90 Å²	90	58.3 Å²	58.3	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-40.6	172.3	-169.3	-160.9	150.6	0	0	111.7	L72 K73 H79 K80	L72-E76 WeakPolarHBondContact O-CB 3.44Å; L72-E76 PolarHBondContact O-N 3.07Å; K73-E76 PolarHBondContact O-N 3.34Å; E76-H79 PolarHBondContact O-N 3.36Å; E76-K80 HydrophobicContact CG-CD 4.44Å; E76-K80 WeakPolarHBondContact O-CG 3.34Å; E76-K80 PolarHBondContact O-N 3.15Å; E76-K80 WeakPolarHBondContact OE1-CE 3.4Å; E76-K80 IonicContact OE1-NZ 2.75Å; E76-K80 PolarHBondContact OE1-NZ 3.4Å
77	V	84.6	Confident	86.1	Confident	42 Å²	42	49.4 Å²	49.4	26%	0.255	23%	0.231	S	C	.	.	H	α-helix	trans	-67.5	-47.8	177.7	165.2	0	0	0	0	111.3	K73 E74 A75 H79 K80 A81 L150 F173	K73-V77 WeakPolarHBondContact O-CB 3.49Å; K73-V77 VanDerWaalsContact O-CG2 3.23Å; K73-V77 WeakPolarHBondContact O-CG2 3.28Å; K73-V77 PolarHBondContact O-N 3.3Å; E74-V77 PolarHBondContact O-N 3.08Å; A75-V77 VanDerWaalsContact C-N 3.32Å; A75-V77 PolarHBondContact O-N 2.88Å; V77-H79 VanDerWaalsContact C-N 3.28Å; V77-H79 PolarHBondContact O-N 3.05Å; V77-K80 PolarHBondContact O-N 3.36Å; V77-A81 WeakPolarHBondContact O-CB 3.48Å; V77-A81 PolarHBondContact O-N 2.74Å; V77-L150 HydrophobicContact CG1-CD1 3.87Å; V77-L150 HydrophobicContact CG1-CD2 3.45Å; V77-L150 VanDerWaalsContact CG1-CD2 3.45Å; V77-L150 HydrophobicContact CG1-CG 4.33Å; V77-F173 HydrophobicContact CG1-CD2 4.4Å; V77-F173 HydrophobicContact CG1-CE2 4.1Å
78	L	88.4	Confident	87.1	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-56.2	-41.8	171.4	-81.5	154.5	0	0	0	112	E74 A75 K80 A81 I87 I89 I101 F173	E74-L78 HydrophobicContact CG-CD1 4.09Å; E74-L78 WeakPolarHBondContact O-CD1 3.46Å; E74-L78 PolarHBondContact O-N 3.01Å; A75-L78 PolarHBondContact O-N 3.22Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.45Å; L78-A81 PolarHBondContact O-N 3.24Å; L78-I87 HydrophobicContact CD2-CG2 3.63Å; L78-I89 HydrophobicContact CB-CB 4.05Å; L78-I89 HydrophobicContact CB-CD1 4.23Å; L78-I89 HydrophobicContact CB-CG2 3.87Å; L78-I101 HydrophobicContact CD1-CD1 3.71Å; L78-I101 HydrophobicContact CD1-CG2 4.28Å; L78-F173 HydrophobicContact CD2-CE1 3.6Å; L78-F173 HydrophobicContact CD2-CE2 4.31Å; L78-F173 HydrophobicContact CD2-CZ 3.43Å; L78-F173 VanDerWaalsContact CD2-CZ 3.43Å; L78-F173 HydrophobicContact CG-CE2 4.46Å; L78-F173 HydrophobicContact CG-CZ 4.02Å
79	H	90.6	Very high	88	Confident	22 Å²	22	45.1 Å²	45.1	10%	0.102	21%	0.214	C	C	.	.	H	α-helix	trans	-69.7	-26.6	-178.3	178.3	84.3	0	0	0	113.2	S16 T17 L18 A75 E76 V77 R82 I89	S16-H79 PolarHBondContact O-NE2 3.21Å; T17-H79 PolarHBondContact O-CE1 2.76Å; T17-H79 VanDerWaalsContact O-CE1 3.25Å; L18-H79 HydrophobicContact CD1-CB 4.14Å; L18-H79 PolarHBondContact N-CE1 2.95Å; A75-H79 WeakPolarHBondContact O-CB 3.33Å; A75-H79 PolarHBondContact O-N 2.91Å; E76-H79 PolarHBondContact O-N 3.36Å; V77-H79 VanDerWaalsContact C-N 3.28Å; V77-H79 PolarHBondContact O-N 3.05Å; H79-R82 PolarHBondContact CE1-NH2 2.9Å; H79-R82 PolarHBondContact ND1-NH2 2.67Å; H79-R82 WeakPolarHBondContact O-CD 3.18Å; H79-R82 WeakPolarHBondContact O-CG 3.45Å; H79-R82 PolarHBondContact O-NE 2.74Å; H79-I89 HydrophobicContact CB-CG2 3.88Å
80	K	88.9	Confident	88.8	Confident	126 Å²	126	43.9 Å²	43.9	55%	0.548	21%	0.205	S	C	.	.	H	α-helix	trans	-82.8	-33.5	171.5	-73.5	170.5	172.9	177	0	112.6	E76 V77 L78 R82 M146	E76-K80 HydrophobicContact CG-CD 4.44Å; E76-K80 WeakPolarHBondContact O-CG 3.34Å; E76-K80 PolarHBondContact O-N 3.15Å; E76-K80 WeakPolarHBondContact OE1-CE 3.4Å; E76-K80 IonicContact OE1-NZ 2.75Å; E76-K80 PolarHBondContact OE1-NZ 3.4Å; V77-K80 PolarHBondContact O-N 3.36Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.45Å; K80-R82 PolarHBondContact O-N 3.02Å; K80-M146 HydrophobicContact CB-CE 4.17Å
81	A	90.9	Very high	89.8	Confident	1 Å²	1	43 Å²	43	1%	0.008	20%	0.199	C	C	.	.			trans	-81.5	42	-177.5	0	0	0	0	0	113.9	V77 L78 F83 I86 F142 L143 M146 L150 F173	V77-A81 WeakPolarHBondContact O-CB 3.48Å; V77-A81 PolarHBondContact O-N 2.74Å; L78-A81 PolarHBondContact O-N 3.24Å; A81-F83 PolarHBondContact O-N 3.31Å; A81-I86 HydrophobicContact CB-CG2 4.37Å; A81-I86 WeakPolarHBondContact O-CB 3.42Å; A81-I86 VanDerWaalsContact O-CG2 3.26Å; A81-I86 WeakPolarHBondContact O-CG2 3.27Å; A81-F142 HydrophobicContact CB-CE1 4.38Å; A81-L143 HydrophobicContact CB-CD2 3.9Å; A81-M146 HydrophobicContact CB-CE 4.05Å; A81-M146 HydrophobicContact CB-SD 3.92Å; A81-L150 HydrophobicContact CB-CD2 4.16Å; A81-F173 HydrophobicContact CB-CE2 3.74Å; A81-F173 HydrophobicContact CB-CZ 3.83Å
82	R	92.3	Very high	90.7	Very high	97 Å²	97	43.2 Å²	43.2	37%	0.366	20%	0.2	S	C	.	.			trans	-78.1	109.1	-178.4	-70.7	173.2	174.9	-174	-7.4	111.4	S16 H79 K80	S16-R82 PolarHBondContact OG-NH1 3.06Å; H79-R82 PolarHBondContact CE1-NH2 2.9Å; H79-R82 PolarHBondContact ND1-NH2 2.67Å; H79-R82 WeakPolarHBondContact O-CD 3.18Å; H79-R82 WeakPolarHBondContact O-CG 3.45Å; H79-R82 PolarHBondContact O-NE 2.74Å; K80-R82 PolarHBondContact O-N 3.02Å
83	F	96.6	Very high	91.1	Very high	62 Å²	62	40.4 Å²	40.4	27%	0.272	19%	0.185	S	C	.	.			trans	-156.5	156.3	176.2	177.8	-119.3	0	0	0	109.9	A81 Y85 I86 L138 F142	A81-F83 PolarHBondContact O-N 3.31Å; F83-Y85 VanDerWaalsContact C-N 3.26Å; F83-Y85 HydrophobicContact CD1-CD2 4.39Å; F83-Y85 AromaticContact CE1-CD2 3.66Å; F83-Y85 HydrophobicContact CE1-CD2 3.66Å; F83-Y85 HydrophobicContact CE1-CE2 4.37Å; F83-Y85 HydrophobicContact CZ-CD2 4.09Å; F83-Y85 HydrophobicContact CZ-CE2 4.35Å; F83-Y85 PolarHBondContact O-N 2.89Å; F83-Y85 VanDerWaalsContact O-N 3.11Å; F83-I86 HydrophobicContact CB-CG1 4.01Å; F83-I86 HydrophobicContact CD1-CG1 4.26Å; F83-I86 PolarHBondContact O-N 3.33Å; F83-L138 HydrophobicContact CE1-CB 4.37Å; F83-F142 HydrophobicContact CB-CB 4.5Å; F83-F142 HydrophobicContact CB-CD1 3.42Å; F83-F142 VanDerWaalsContact CB-CD1 3.42Å; F83-F142 HydrophobicContact CB-CD2 3.87Å; F83-F142 HydrophobicContact CB-CE1 3.44Å; F83-F142 VanDerWaalsContact CB-CE1 3.44Å; F83-F142 HydrophobicContact CB-CE2 3.88Å; F83-F142 HydrophobicContact CB-CG 3.65Å; F83-F142 HydrophobicContact CB-CZ 3.68Å; F83-F142 HydrophobicContact CD1-CB 3.48Å; F83-F142 VanDerWaalsContact CD1-CB 3.48Å; F83-F142 AromaticContact CD1-CD1 3.86Å; F83-F142 HydrophobicContact CD1-CD1 3.86Å; F83-F142 HydrophobicContact CD1-CD2 4.26Å; F83-F142 AromaticContact CD1-CG 3.59Å; F83-F142 HydrophobicContact CD1-CG 3.59Å; F83-F142 HydrophobicContact CD2-CD2 4.03Å; F83-F142 HydrophobicContact CD2-CE2 4.49Å; F83-F142 HydrophobicContact CD2-CG 4.19Å; F83-F142 HydrophobicContact CE1-CB 3.67Å; F83-F142 HydrophobicContact CE1-CG 4.24Å; F83-F142 HydrophobicContact CG-CB 3.95Å; F83-F142 AromaticContact CG-CD1 3.82Å; F83-F142 HydrophobicContact CG-CD1 3.82Å; F83-F142 AromaticContact CG-CD2 3.82Å; F83-F142 HydrophobicContact CG-CD2 3.82Å; F83-F142 HydrophobicContact CG-CE1 4.3Å; F83-F142 HydrophobicContact CG-CE2 4.29Å; F83-F142 AromaticContact CG-CG 3.56Å; F83-F142 HydrophobicContact CG-CG 3.56Å; F83-F142 HydrophobicContact CZ-CB 4.3Å
84	N	97.3	Very high	91.5	Very high	115 Å²	115	38 Å²	38	62%	0.615	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-44.8	-168.6	-65.6	6.5	0	0	0	113.4	K169	N84-K169 WeakPolarHBondContact O-CD 3.4Å; N84-K169 VanDerWaalsContact O-CE 3.24Å; N84-K169 WeakPolarHBondContact O-CE 3.49Å; N84-K169 PolarHBondContact O-NZ 2.87Å
85	Y	98.3	Very high	91.8	Very high	43 Å²	43	40.3 Å²	40.3	17%	0.169	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	13.9	-175.5	-48	-60.7	0	0	0	114.5	F83 E135 L138 V168 K169 I170	F83-Y85 VanDerWaalsContact C-N 3.26Å; F83-Y85 HydrophobicContact CD1-CD2 4.39Å; F83-Y85 AromaticContact CE1-CD2 3.66Å; F83-Y85 HydrophobicContact CE1-CD2 3.66Å; F83-Y85 HydrophobicContact CE1-CE2 4.37Å; F83-Y85 HydrophobicContact CZ-CD2 4.09Å; F83-Y85 HydrophobicContact CZ-CE2 4.35Å; F83-Y85 PolarHBondContact O-N 2.89Å; F83-Y85 VanDerWaalsContact O-N 3.11Å; Y85-E135 HydrophobicContact CD1-CB 3.7Å; Y85-E135 HydrophobicContact CD1-CG 3.83Å; Y85-E135 HydrophobicContact CD2-CB 4.41Å; Y85-E135 HydrophobicContact CE1-CB 3.86Å; Y85-E135 VanDerWaalsContact CE1-CD 3.41Å; Y85-E135 HydrophobicContact CE1-CG 3.41Å; Y85-E135 VanDerWaalsContact CE1-CG 3.41Å; Y85-E135 HydrophobicContact CE2-CG 4.36Å; Y85-E135 HydrophobicContact CG-CB 4Å; Y85-E135 HydrophobicContact CG-CG 4.44Å; Y85-L138 HydrophobicContact CD2-CB 3.83Å; Y85-L138 HydrophobicContact CD2-CD1 4.37Å; Y85-L138 HydrophobicContact CE2-CB 3.98Å; Y85-L138 HydrophobicContact CE2-CD1 3.66Å; Y85-V168 VanDerWaalsContact CA-O 3.28Å; Y85-V168 WeakPolarHBondContact CA-O 3.39Å; Y85-K169 WeakPolarHBondContact O-CA 3.44Å; Y85-I170 WeakPolarHBondContact O-CG1 3.47Å; Y85-I170 PolarHBondContact O-N 3.43Å
86	I	97.1	Very high	91.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-111.2	142.7	175	-53.2	-57.8	0	0	0	108.7	A81 F83 Q88 F142 L143 I170 F173	A81-I86 HydrophobicContact CB-CG2 4.37Å; A81-I86 WeakPolarHBondContact O-CB 3.42Å; A81-I86 VanDerWaalsContact O-CG2 3.26Å; A81-I86 WeakPolarHBondContact O-CG2 3.27Å; F83-I86 HydrophobicContact CB-CG1 4.01Å; F83-I86 HydrophobicContact CD1-CG1 4.26Å; F83-I86 PolarHBondContact O-N 3.33Å; I86-Q88 PolarHBondContact O-N 3.34Å; I86-F142 HydrophobicContact CG1-CD1 4.01Å; I86-F142 HydrophobicContact CG1-CE1 4.31Å; I86-L143 HydrophobicContact CD1-CD1 4.04Å; I86-L143 HydrophobicContact CD1-CD2 3.78Å; I86-L143 HydrophobicContact CD1-CG 3.85Å; I86-L143 HydrophobicContact CG1-CD2 4.1Å; I86-I170 HydrophobicContact CD1-CB 4.01Å; I86-I170 HydrophobicContact CD1-CD1 4.15Å; I86-I170 HydrophobicContact CD1-CG1 4.43Å; I86-F173 HydrophobicContact CG2-CD1 4.43Å; I86-F173 HydrophobicContact CG2-CE1 3.36Å; I86-F173 HydrophobicContact CG2-CZ 3.42Å; I86-F173 VanDerWaalsContact CG2-CZ 3.42Å
87	I	95.7	Very high	90.9	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.041	24%	0.237	C	C	.	.			trans	-63.7	120.9	-179.4	-162.6	73.3	0	0	0	111.3	L78 I89 T103 E104 M106 L161 K169 I170 A171 F173	L78-I87 HydrophobicContact CD2-CG2 3.63Å; I87-I89 PolarHBondContact O-N 3.27Å; I87-T103 HydrophobicContact CG1-CG2 4.43Å; I87-E104 HydrophobicContact CD1-CG 3.56Å; I87-E104 HydrophobicContact CG1-CG 4.12Å; I87-M106 HydrophobicContact CD1-CE 4.22Å; I87-M106 HydrophobicContact CD1-CG 3.66Å; I87-M106 HydrophobicContact CD1-SD 4.2Å; I87-L161 HydrophobicContact CD1-CD1 4.29Å; I87-K169 HydrophobicContact CB-CB 4.44Å; I87-K169 HydrophobicContact CD1-CB 3.8Å; I87-K169 HydrophobicContact CD1-CG 4.26Å; I87-I170 WeakPolarHBondContact CB-O 3.43Å; I87-I170 WeakPolarHBondContact CG2-O 3.3Å; I87-I170 PolarHBondContact N-O 3Å; I87-A171 HydrophobicContact CB-CB 4.28Å; I87-A171 HydrophobicContact CG2-CB 3.99Å; I87-F173 HydrophobicContact CG2-CE1 4.36Å
88	Q	94.3	Very high	90.6	Very high	53 Å²	53	48.1 Å²	48.1	25%	0.248	23%	0.231	C	C	.	.			trans	-76.6	115.7	-178.2	-177.9	61.1	60.2	0	0	110.8	I86 F90 T103 E104	I86-Q88 PolarHBondContact O-N 3.34Å; Q88-F90 HydrophobicContact CB-CE1 4.47Å; Q88-F90 HydrophobicContact CG-CD1 4.02Å; Q88-F90 HydrophobicContact CG-CE1 3.84Å; Q88-T103 VanDerWaalsContact O-CA 3.28Å; Q88-T103 WeakPolarHBondContact O-CA 3.45Å; Q88-T103 WeakPolarHBondContact O-CB 3.21Å; Q88-E104 HydrophobicContact CB-CG 4.05Å; Q88-E104 VanDerWaalsContact CB-OE1 3.28Å; Q88-E104 WeakPolarHBondContact CB-OE1 3.47Å; Q88-E104 PolarHBondContact N-OE1 3.13Å; Q88-E104 PolarHBondContact O-N 2.96Å
89	I	94.8	Very high	90.4	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.3	166.1	-172.6	173.9	0	0	0	110.7	L18 A75 L78 H79 I87 I101 V102	L18-I89 HydrophobicContact CD1-CD1 3.75Å; L18-I89 HydrophobicContact CD1-CG1 3.93Å; L18-I89 HydrophobicContact CD1-CG2 4.21Å; L18-I89 HydrophobicContact CD2-CD1 4.03Å; A75-I89 HydrophobicContact CB-CD1 3.64Å; L78-I89 HydrophobicContact CB-CB 4.05Å; L78-I89 HydrophobicContact CB-CD1 4.23Å; L78-I89 HydrophobicContact CB-CG2 3.87Å; H79-I89 HydrophobicContact CB-CG2 3.88Å; I87-I89 PolarHBondContact O-N 3.27Å; I89-I101 HydrophobicContact CD1-CG2 3.65Å; I89-I101 HydrophobicContact CG1-CG2 3.84Å; I89-V102 WeakPolarHBondContact CG1-O 3.38Å
90	F	95.4	Very high	90.3	Very high	56 Å²	56	46.7 Å²	46.7	25%	0.246	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-27.2	173.9	-62.8	-30.2	0	0	0	112.8	P19 W48 V52 Q88 V102 E104	P19-F90 WeakPolarHBondContact CD-O 3.46Å; P19-F90 WeakPolarHBondContact CG-O 3.21Å; W48-F90 HydrophobicContact CH2-CB 3.93Å; W48-F90 HydrophobicContact CZ3-CB 3.69Å; W48-F90 HydrophobicContact CZ3-CD2 4.05Å; W48-F90 HydrophobicContact CZ3-CG 4.11Å; V52-F90 HydrophobicContact CG1-CD2 3.81Å; V52-F90 HydrophobicContact CG1-CE2 4.02Å; Q88-F90 HydrophobicContact CB-CE1 4.47Å; Q88-F90 HydrophobicContact CG-CD1 4.02Å; Q88-F90 HydrophobicContact CG-CE1 3.84Å; F90-V102 PolarHBondContact N-O 3.05Å; F90-E104 HydrophobicContact CE1-CB 4.29Å; F90-E104 HydrophobicContact CE2-CB 4.06Å; F90-E104 HydrophobicContact CZ-CB 3.64Å
91	G	93.9	Very high	90.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-169.6	178.3	0	0	0	0	0	113.4	P19 V102	P19-G91 CarbonylContact O-C 3.56Å; P19-G91 WeakPolarHBondContact O-CA 3.31Å; G91-V102 PolarHBondContact N-O 2.82Å; G91-V102 PolarHBondContact O-N 3.5Å
92	V	93	Very high	90.6	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.5	171.4	-73.3	0	0	0	0	110.7	L18 P19 V20 I21 L71 L72 A75 C100 I101	L18-V92 HydrophobicContact CD2-CG1 4.14Å; L18-V92 HydrophobicContact CD2-CG2 4.31Å; P19-V92 PolarHBondContact O-N 3.38Å; V20-V92 CarbonylContact C-O 3.36Å; V20-V92 WeakPolarHBondContact CA-O 3.36Å; I21-V92 PolarHBondContact N-O 3.11Å; L71-V92 HydrophobicContact CD2-CG1 4.13Å; L72-V92 HydrophobicContact CD2-CG2 4.47Å; A75-V92 HydrophobicContact CB-CG1 3.56Å; V92-C100 VanDerWaalsContact CA-O 3.29Å; V92-C100 WeakPolarHBondContact CA-O 3.44Å; V92-I101 HydrophobicContact CG1-CG1 4.5Å
93	C	91.8	Very high	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.7	159.8	-173.6	0	0	0	0	108.4	I21 L26 F98 F99 C100	I21-C93 VanDerWaalsContact O-CA 3.32Å; I21-C93 WeakPolarHBondContact O-CA 3.29Å; I21-C93 WeakPolarHBondContact O-CB 3.44Å; I21-C93 PolarHBondContact O-SG 2.97Å; L26-C93 HydrophobicContact CD1-CB 4.4Å; C93-F98 HydrophobicContact CB-CD1 4.06Å; C93-F98 HydrophobicContact CB-CE1 4.42Å; C93-F98 PolarHBondContact SG-O 3.27Å; C93-F99 WeakPolarHBondContact O-CA 3.44Å; C93-F99 WeakPolarHBondContact O-CD2 3.47Å; C93-C100 WeakPolarHBondContact CB-SG 3.21Å; C93-C100 PolarHBondContact N-O 3.38Å; C93-C100 PolarHBondContact O-N 3.36Å
94	N	87.2	Confident	90.8	Very high	60 Å²	60	35.7 Å²	35.7	32%	0.321	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	36.1	-169.8	-158.9	30.5	0	0	0	112.2	V20 R68 F99	V20-N94 HydrophobicContact CG1-CB 4.03Å; R68-N94 PolarHBondContact NE-OD1 2.71Å; R68-N94 PolarHBondContact NH2-O 3.35Å; R68-N94 PolarHBondContact NH2-OD1 3.48Å; N94-F99 WeakPolarHBondContact OD1-CE2 3.46Å
95	E	85.4	Confident	90.8	Very high	54 Å²	54	33.5 Å²	33.5	25%	0.252	17%	0.165	S	C	.	.			trans	-85.2	168.4	179.7	-66.5	-174.3	-161.8	0	0	111.1	Y23 Q24 R68 F98	Y23-E95 WeakPolarHBondContact CB-OE1 3.44Å; Y23-E95 WeakPolarHBondContact CB-OE2 3.43Å; Y23-E95 PolarHBondContact N-OE1 2.8Å; Q24-E95 PolarHBondContact NE2-OE1 3.25Å; Q24-E95 PolarHBondContact NE2-OE2 3.2Å; R68-E95 PolarHBondContact NH1-O 2.95Å; E95-F98 PolarHBondContact N-O 3.27Å; E95-F98 VanDerWaalsContact N-O 3.15Å
96	P	76.8	Confident	90.7	Very high	112 Å²	112	32.2 Å²	32.2	73%	0.727	16%	0.161	S	C	*	.	S	Bend	trans	-69.9	-42.2	-176.8	-21.6	34.6	0	0	0	113.3
97	E	75.8	Confident	90.6	Very high	152 Å²	152	34.5 Å²	34.5	71%	0.71	18%	0.177	S	C	*	.	S	Bend	trans	-95.2	-20.4	-178.2	-64.9	176.9	-160.4	0	0	112.8
98	F	78.3	Confident	90.7	Very high	31 Å²	31	34.8 Å²	34.8	14%	0.136	18%	0.178	C	C	.	.			trans	-128.7	107.4	-177.9	-161.1	-91	0	0	0	111.8	Y23 L26 L29 I54 C93 E95 C100	Y23-F98 HydrophobicContact CD2-CB 4.22Å; Y23-F98 AromaticContact CD2-CD1 3.4Å; Y23-F98 HydrophobicContact CD2-CD1 3.4Å; Y23-F98 VanDerWaalsContact CD2-CD1 3.4Å; Y23-F98 AromaticContact CD2-CD2 3.99Å; Y23-F98 HydrophobicContact CD2-CD2 3.99Å; Y23-F98 AromaticContact CD2-CE1 3.61Å; Y23-F98 HydrophobicContact CD2-CE1 3.61Å; Y23-F98 HydrophobicContact CD2-CE2 4.18Å; Y23-F98 AromaticContact CD2-CG 3.59Å; Y23-F98 HydrophobicContact CD2-CG 3.59Å; Y23-F98 HydrophobicContact CD2-CZ 4Å; Y23-F98 AromaticContact CE2-CD1 3.99Å; Y23-F98 HydrophobicContact CE2-CD1 3.99Å; Y23-F98 AromaticContact CE2-CD2 3.77Å; Y23-F98 HydrophobicContact CE2-CD2 3.77Å; Y23-F98 AromaticContact CE2-CE1 3.95Å; Y23-F98 HydrophobicContact CE2-CE1 3.95Å; Y23-F98 AromaticContact CE2-CE2 3.74Å; Y23-F98 HydrophobicContact CE2-CE2 3.74Å; Y23-F98 AromaticContact CE2-CG 3.89Å; Y23-F98 HydrophobicContact CE2-CG 3.89Å; Y23-F98 AromaticContact CE2-CZ 3.83Å; Y23-F98 HydrophobicContact CE2-CZ 3.83Å; Y23-F98 HydrophobicContact CG-CB 4.39Å; Y23-F98 HydrophobicContact CG-CD1 4.2Å; Y23-F98 HydrophobicContact CG-CG 4.24Å; L26-F98 HydrophobicContact CD1-CE1 4.33Å; L29-F98 HydrophobicContact CD2-CE2 4.15Å; L29-F98 HydrophobicContact CD2-CZ 3.96Å; I54-F98 HydrophobicContact CG2-CE1 4.27Å; I54-F98 HydrophobicContact CG2-CZ 4.16Å; C93-F98 HydrophobicContact CB-CD1 4.06Å; C93-F98 HydrophobicContact CB-CE1 4.42Å; C93-F98 PolarHBondContact SG-O 3.27Å; E95-F98 PolarHBondContact N-O 3.27Å; E95-F98 VanDerWaalsContact N-O 3.15Å; F98-C100 HydrophobicContact CE1-CB 4.26Å; F98-C100 VanDerWaalsContact CE1-SG 3.54Å
99	F	83.7	Confident	90.7	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	115.9	-171.7	-179.2	-113.9	0	0	0	110.8	V63 R68 L71 L72 C93 N94	V63-F99 HydrophobicContact CG1-CD1 4.5Å; R68-F99 HydrophobicContact CB-CE1 4.22Å; R68-F99 HydrophobicContact CB-CZ 4.21Å; R68-F99 HydrophobicContact CG-CD1 4.36Å; R68-F99 HydrophobicContact CG-CD2 4.21Å; R68-F99 HydrophobicContact CG-CE1 3.86Å; R68-F99 HydrophobicContact CG-CE2 3.7Å; R68-F99 HydrophobicContact CG-CZ 3.49Å; R68-F99 VanDerWaalsContact CG-CZ 3.49Å; R68-F99 VanDerWaalsContact O-CZ 3.29Å; R68-F99 WeakPolarHBondContact O-CZ 3.25Å; L71-F99 HydrophobicContact CB-CE1 3.48Å; L71-F99 VanDerWaalsContact CB-CE1 3.48Å; L71-F99 HydrophobicContact CB-CZ 3.71Å; L71-F99 HydrophobicContact CD1-CD1 4.3Å; L71-F99 HydrophobicContact CD1-CE1 3.95Å; L71-F99 HydrophobicContact CD1-CZ 4.49Å; L71-F99 HydrophobicContact CD2-CE1 3.78Å; L71-F99 HydrophobicContact CD2-CE2 3.97Å; L71-F99 HydrophobicContact CD2-CZ 3.46Å; L71-F99 VanDerWaalsContact CD2-CZ 3.46Å; L71-F99 HydrophobicContact CG-CE1 3.93Å; L71-F99 HydrophobicContact CG-CZ 4.06Å; L72-F99 HydrophobicContact CD2-CE2 4.26Å; L72-F99 HydrophobicContact CD2-CZ 4.43Å; L72-F99 HydrophobicContact CG-CE2 4.41Å; L72-F99 HydrophobicContact CG-CZ 4.18Å; C93-F99 WeakPolarHBondContact O-CA 3.44Å; C93-F99 WeakPolarHBondContact O-CD2 3.47Å; N94-F99 WeakPolarHBondContact OD1-CE2 3.46Å
100	C	88.9	Confident	90.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158.3	-167.7	69.5	0	0	0	0	114.2	I54 K55 C56 V92 C93 F98	I54-C100 HydrophobicContact CG2-CB 3.53Å; I54-C100 WeakPolarHBondContact CG2-SG 3.43Å; K55-C100 VanDerWaalsContact O-CA 3.23Å; K55-C100 WeakPolarHBondContact O-CA 3.21Å; K55-C100 VanDerWaalsContact O-CB 3.27Å; K55-C100 WeakPolarHBondContact O-CB 3.21Å; C56-C100 HydrophobicContact CB-CB 4.42Å; V92-C100 VanDerWaalsContact CA-O 3.29Å; V92-C100 WeakPolarHBondContact CA-O 3.44Å; C93-C100 WeakPolarHBondContact CB-SG 3.21Å; C93-C100 PolarHBondContact N-O 3.38Å; C93-C100 PolarHBondContact O-N 3.36Å; F98-C100 HydrophobicContact CE1-CB 4.26Å; F98-C100 VanDerWaalsContact CE1-SG 3.54Å
101	I	91.6	Very high	91	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.5	162.5	-57.1	-175.6	0	0	0	109	I54 K55 L71 E74 A75 L78 I89 V92 T103	I54-I101 WeakPolarHBondContact CA-O 3.3Å; K55-I101 HydrophobicContact CB-CB 4.48Å; K55-I101 PolarHBondContact N-O 3.37Å; K55-I101 PolarHBondContact O-N 3.12Å; L71-I101 HydrophobicContact CD1-CD1 4.5Å; L71-I101 HydrophobicContact CD1-CG1 3.94Å; L71-I101 HydrophobicContact CD2-CD1 4.41Å; L71-I101 HydrophobicContact CD2-CG1 3.64Å; L71-I101 HydrophobicContact CG-CD1 4.03Å; L71-I101 HydrophobicContact CG-CG1 3.67Å; E74-I101 HydrophobicContact CB-CD1 4.14Å; E74-I101 VanDerWaalsContact CD-CD1 3.49Å; E74-I101 HydrophobicContact CG-CD1 3.73Å; A75-I101 HydrophobicContact CB-CD1 4.26Å; A75-I101 HydrophobicContact CB-CG1 4.33Å; L78-I101 HydrophobicContact CD1-CD1 3.71Å; L78-I101 HydrophobicContact CD1-CG2 4.28Å; I89-I101 HydrophobicContact CD1-CG2 3.65Å; I89-I101 HydrophobicContact CG1-CG2 3.84Å; V92-I101 HydrophobicContact CG1-CG1 4.5Å; I101-T103 HydrophobicContact CG2-CG2 3.81Å
102	V	95.2	Very high	91.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.4	172.7	-173.4	0	0	0	0	109.5	I21 L26 V52 A53 I89 F90 G91	I21-V102 HydrophobicContact CD1-CB 3.74Å; I21-V102 HydrophobicContact CD1-CG1 3.92Å; I21-V102 HydrophobicContact CD1-CG2 3.87Å; L26-V102 HydrophobicContact CD1-CG2 4.11Å; L26-V102 HydrophobicContact CD2-CG1 4.37Å; L26-V102 HydrophobicContact CD2-CG2 4.41Å; V52-V102 HydrophobicContact CB-CG1 3.71Å; V52-V102 HydrophobicContact CG1-CG1 4.02Å; V52-V102 HydrophobicContact CG2-CG1 3.82Å; A53-V102 WeakPolarHBondContact O-CA 3.3Å; I89-V102 WeakPolarHBondContact CG1-O 3.38Å; F90-V102 PolarHBondContact N-O 3.05Å; G91-V102 PolarHBondContact N-O 2.82Å; G91-V102 PolarHBondContact O-N 3.5Å
103	T	95.8	Very high	91.3	Very high	20 Å²	20	36.2 Å²	36.2	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	172.1	-178.3	69.5	0	0	0	0	112.2	V52 A53 I87 Q88 I101	V52-T103 WeakPolarHBondContact CA-O 3.49Å; V52-T103 WeakPolarHBondContact CB-O 3.41Å; A53-T103 PolarHBondContact N-O 3.03Å; A53-T103 PolarHBondContact O-N 3.45Å; I87-T103 HydrophobicContact CG1-CG2 4.43Å; Q88-T103 VanDerWaalsContact O-CA 3.28Å; Q88-T103 WeakPolarHBondContact O-CA 3.45Å; Q88-T103 WeakPolarHBondContact O-CB 3.21Å; I101-T103 HydrophobicContact CG2-CG2 3.81Å
104	E	95.9	Very high	91.6	Very high	33 Å²	33	36.3 Å²	36.3	15%	0.154	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	148.5	161	59.7	178.5	148.3	0	0	112	I87 Q88 F90 M106 K169	I87-E104 HydrophobicContact CD1-CG 3.56Å; I87-E104 HydrophobicContact CG1-CG 4.12Å; Q88-E104 HydrophobicContact CB-CG 4.05Å; Q88-E104 VanDerWaalsContact CB-OE1 3.28Å; Q88-E104 WeakPolarHBondContact CB-OE1 3.47Å; Q88-E104 PolarHBondContact N-OE1 3.13Å; Q88-E104 PolarHBondContact O-N 2.96Å; F90-E104 HydrophobicContact CE1-CB 4.29Å; F90-E104 HydrophobicContact CE2-CB 4.06Å; F90-E104 HydrophobicContact CZ-CB 3.64Å; E104-M106 HydrophobicContact CB-CE 4.37Å; E104-M106 HydrophobicContact CG-CE 3.8Å; E104-M106 WeakPolarHBondContact OE2-CE 3.37Å; E104-K169 WeakPolarHBondContact OE1-CD 3.2Å; E104-K169 VanDerWaalsContact OE1-CE 3.26Å; E104-K169 WeakPolarHBondContact OE1-CE 3.3Å; E104-K169 IonicContact OE1-NZ 3.75Å; E104-K169 PolarHBondContact OE1-NZ 2.68Å; E104-K169 WeakPolarHBondContact OE2-CE 3.09Å; E104-K169 IonicContact OE2-NZ 3.74Å; E104-K169 PolarHBondContact OE2-NZ 2.94Å
105	Y	97.3	Very high	92.1	Very high	69 Å²	69	33.4 Å²	33.4	27%	0.271	18%	0.178	S	C	.	.			trans	-98.1	122.3	-178.8	172.6	-108.2	0	0	0	112.1	L32 K42 T51 A53 S107	L32-Y105 HydrophobicContact CD1-CD2 4.48Å; L32-Y105 HydrophobicContact CD1-CE2 3.93Å; K42-Y105 HydrophobicContact CB-CD2 4.49Å; K42-Y105 HydrophobicContact CB-CE2 4.22Å; K42-Y105 HydrophobicContact CD-CE1 4.43Å; K42-Y105 HydrophobicContact CD-CE2 4.28Å; K42-Y105 HydrophobicContact CG-CD2 4.19Å; K42-Y105 HydrophobicContact CG-CE2 4.05Å; T51-Y105 HydrophobicContact CG2-CD1 3.52Å; T51-Y105 HydrophobicContact CG2-CD2 4.38Å; T51-Y105 HydrophobicContact CG2-CE1 4.21Å; T51-Y105 HydrophobicContact CG2-CG 3.61Å; T51-Y105 WeakPolarHBondContact O-CB 3.44Å; A53-Y105 HydrophobicContact CB-CD2 4.4Å; Y105-S107 PolarHBondContact O-N 2.87Å
106	M	97.3	Very high	92.6	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.084	18%	0.177	C	C	.	.			trans	-88.4	89.8	-176.9	-68.9	-69.4	109.6	0	0	111.4	I87 E104 N108 G109 L161 L162 D163 K169	I87-M106 HydrophobicContact CD1-CE 4.22Å; I87-M106 HydrophobicContact CD1-CG 3.66Å; I87-M106 HydrophobicContact CD1-SD 4.2Å; E104-M106 HydrophobicContact CB-CE 4.37Å; E104-M106 HydrophobicContact CG-CE 3.8Å; E104-M106 WeakPolarHBondContact OE2-CE 3.37Å; M106-N108 PolarHBondContact O-N 3.12Å; M106-G109 PolarHBondContact O-N 2.84Å; M106-G109 VanDerWaalsContact O-N 3.13Å; M106-L161 HydrophobicContact CB-CB 3.88Å; M106-L161 HydrophobicContact CB-CD1 4.28Å; M106-L161 HydrophobicContact CG-CB 3.57Å; M106-L161 HydrophobicContact CG-CD1 3.92Å; M106-L161 HydrophobicContact CG-CG 4.4Å; M106-L161 HydrophobicContact SD-CB 4.23Å; M106-L162 CarbonylContact C-O 3.48Å; M106-D163 HydrophobicContact CE-CB 3.79Å; M106-D163 HydrophobicContact SD-CB 3.89Å; M106-D163 PolarHBondContact SD-N 3.48Å; M106-D163 VanDerWaalsContact SD-N 3.44Å; M106-K169 HydrophobicContact CE-CG 3.76Å; M106-K169 HydrophobicContact SD-CB 3.75Å; M106-K169 HydrophobicContact SD-CG 3.41Å; M106-K169 WeakPolarHBondContact SD-CG 3.18Å
107	S	95.1	Very high	93.5	Very high	50 Å²	50	31 Å²	31	35%	0.35	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.2	-173.1	74.7	0	0	0	0	114.7	Y105 K321	Y105-S107 PolarHBondContact O-N 2.87Å; S107-K321 PolarHBondContact O-NZ 3.49Å
108	N	96.6	Very high	94.5	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.07	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.2	176.3	-73.5	-51.3	0	0	0	115.7	M106 L162 D163 G164 F166 K321	M106-N108 PolarHBondContact O-N 3.12Å; N108-L162 HydrophobicContact CB-CB 3.78Å; N108-L162 PolarHBondContact N-O 3.44Å; N108-L162 VanDerWaalsContact N-O 3.09Å; N108-D163 WeakPolarHBondContact CB-O 3.34Å; N108-D163 PolarHBondContact ND2-O 2.79Å; N108-G164 PolarHBondContact ND2-O 3.45Å; N108-G164 VanDerWaalsContact ND2-O 3.08Å; N108-F166 HydrophobicContact CB-CD1 4.05Å; N108-F166 HydrophobicContact CB-CE1 3.67Å; N108-F166 HydrophobicContact CB-CE2 4.24Å; N108-F166 HydrophobicContact CB-CG 4.48Å; N108-F166 HydrophobicContact CB-CZ 3.77Å; N108-F166 WeakPolarHBondContact ND2-CE2 3.2Å; N108-F166 WeakPolarHBondContact OD1-CZ 3.21Å; N108-K321 PolarHBondContact OD1-NZ 3.1Å
109	G	95.3	Very high	95.2	Very high	18 Å²	18	31.4 Å²	31.4	19%	0.186	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.4	-140.6	173	0	0	0	0	0	111.9	M106 L161 L162	M106-G109 PolarHBondContact O-N 2.84Å; M106-G109 VanDerWaalsContact O-N 3.13Å; G109-L161 CarbonylContact O-C 3.36Å; G109-L161 WeakPolarHBondContact O-CA 3.41Å; G109-L162 PolarHBondContact O-N 3.39Å
110	S	97.1	Very high	95.7	Very high	12 Å²	12	32.5 Å²	32.5	8%	0.084	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	161.7	176.9	63.1	0	0	0	0	113.1	D112 Q113 L114 I160	S110-D112 VanDerWaalsContact C-N 3.25Å; S110-D112 PolarHBondContact O-N 3.48Å; S110-Q113 PolarHBondContact O-N 2.98Å; S110-L114 PolarHBondContact O-N 2.96Å; S110-I160 CarbonylContact C-O 3.5Å; S110-I160 VanDerWaalsContact CA-O 3.3Å; S110-I160 WeakPolarHBondContact CA-O 3.5Å
111	L	98.5	Very high	96.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-36.7	173	178.5	57.1	0	0	0	111.6	Q113 L114 L115 V132 I136 T157 I160 I226 V230	L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.06Å; L111-L114 HydrophobicContact CD1-CB 4.46Å; L111-L114 HydrophobicContact CD1-CD2 4.15Å; L111-L114 WeakPolarHBondContact O-CB 3.49Å; L111-L114 PolarHBondContact O-N 3.11Å; L111-L114 VanDerWaalsContact O-N 3.08Å; L111-L115 HydrophobicContact CD1-CD1 4.18Å; L111-L115 HydrophobicContact CD1-CD2 4.12Å; L111-L115 HydrophobicContact CD1-CG 3.88Å; L111-L115 HydrophobicContact CG-CD1 3.97Å; L111-L115 HydrophobicContact CG-CG 4.13Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.49Å; L111-L115 PolarHBondContact O-N 3.47Å; L111-V132 HydrophobicContact CD1-CG1 3.85Å; L111-V132 HydrophobicContact CD2-CG1 3.7Å; L111-V132 HydrophobicContact CG-CG1 4.42Å; L111-I136 HydrophobicContact CD2-CD1 3.96Å; L111-T157 HydrophobicContact CD2-CG2 4.01Å; L111-T157 HydrophobicContact CG-CG2 4.12Å; L111-T157 PolarHBondContact N-O 3.48Å; L111-I160 HydrophobicContact CB-CB 3.85Å; L111-I160 HydrophobicContact CB-CG2 3.94Å; L111-I160 HydrophobicContact CD2-CB 4.13Å; L111-I160 HydrophobicContact CD2-CG1 4.32Å; L111-I160 HydrophobicContact CD2-CG2 3.94Å; L111-I160 PolarHBondContact N-O 3.3Å; L111-I226 HydrophobicContact CD2-CG2 4.18Å; L111-V230 HydrophobicContact CD1-CG2 4.38Å; L111-V230 HydrophobicContact CD2-CG2 3.87Å; L111-V230 HydrophobicContact CG-CG2 4.43Å
112	D	97	Very high	96.2	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	20%	0.196	C	C	.	.	H	α-helix	trans	-48.8	-49.7	171.3	167	93.8	0	0	0	111.9	S110 L115 H116 T157 Q158	S110-D112 VanDerWaalsContact C-N 3.25Å; S110-D112 PolarHBondContact O-N 3.48Å; D112-L115 PolarHBondContact O-N 3.04Å; D112-H116 WeakPolarHBondContact O-CB 3.49Å; D112-H116 PolarHBondContact O-CD2 3.43Å; D112-H116 VanDerWaalsContact O-CD2 3.24Å; D112-H116 PolarHBondContact O-N 2.83Å; D112-H116 IonicContact OD1-CD2 2.71Å; D112-T157 PolarHBondContact N-O 3.08Å; D112-Q158 HydrophobicContact CB-CB 4.48Å; D112-Q158 HydrophobicContact CB-CG 3.82Å; D112-Q158 PolarHBondContact OD1-NE2 2.86Å
113	Q	96.6	Very high	96.2	Very high	68 Å²	68	42.4 Å²	42.4	32%	0.318	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-43.5	176.6	-63.6	-176.6	-84.5	0	0	112	S110 L111 L115 E117 Y121	S110-Q113 PolarHBondContact O-N 2.98Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.06Å; Q113-L115 VanDerWaalsContact C-N 3.31Å; Q113-L115 PolarHBondContact O-N 2.69Å; Q113-E117 HydrophobicContact CB-CG 4.21Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.46Å; Q113-E117 PolarHBondContact NE2-OE1 3.32Å; Q113-E117 WeakPolarHBondContact O-CB 3.45Å; Q113-E117 WeakPolarHBondContact O-CG 3.47Å; Q113-E117 PolarHBondContact O-N 3.02Å; Q113-Y121 WeakPolarHBondContact O-CD2 3.27Å
114	L	98.1	Very high	96.2	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-38.6	177.8	-179.7	62.8	0	0	0	112.4	S110 L111 Y121 L124 L162 F166 R233 V317	S110-L114 PolarHBondContact O-N 2.96Å; L111-L114 HydrophobicContact CD1-CB 4.46Å; L111-L114 HydrophobicContact CD1-CD2 4.15Å; L111-L114 WeakPolarHBondContact O-CB 3.49Å; L111-L114 PolarHBondContact O-N 3.11Å; L111-L114 VanDerWaalsContact O-N 3.08Å; L114-Y121 HydrophobicContact CD1-CD1 3.9Å; L114-Y121 HydrophobicContact CD1-CD2 4.13Å; L114-Y121 HydrophobicContact CD1-CE1 4.22Å; L114-Y121 HydrophobicContact CD1-CE2 4.47Å; L114-Y121 HydrophobicContact CD1-CG 3.82Å; L114-L124 HydrophobicContact CD1-CD1 3.97Å; L114-L124 HydrophobicContact CD2-CD1 4.17Å; L114-L124 HydrophobicContact CD2-CD2 4.47Å; L114-L124 HydrophobicContact CG-CD1 4.16Å; L114-L124 HydrophobicContact CG-CD2 4.17Å; L114-L162 HydrophobicContact CB-CD1 3.86Å; L114-L162 HydrophobicContact CD2-CD1 3.79Å; L114-L162 HydrophobicContact CG-CD1 4.42Å; L114-F166 HydrophobicContact CD1-CD1 4.31Å; L114-F166 HydrophobicContact CD1-CE1 4.02Å; L114-F166 HydrophobicContact CD2-CD1 4.14Å; L114-R233 PolarHBondContact O-NH2 3.42Å; L114-V317 HydrophobicContact CD1-CG1 3.73Å
115	L	98.1	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-76	-44.2	-179.8	-63.4	179.5	0	0	0	112.1	L111 D112 Q113 L124 T157 E229 V230 R233	L111-L115 HydrophobicContact CD1-CD1 4.18Å; L111-L115 HydrophobicContact CD1-CD2 4.12Å; L111-L115 HydrophobicContact CD1-CG 3.88Å; L111-L115 HydrophobicContact CG-CD1 3.97Å; L111-L115 HydrophobicContact CG-CG 4.13Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.49Å; L111-L115 PolarHBondContact O-N 3.47Å; D112-L115 PolarHBondContact O-N 3.04Å; Q113-L115 VanDerWaalsContact C-N 3.31Å; Q113-L115 PolarHBondContact O-N 2.69Å; L115-L124 HydrophobicContact CD2-CD2 3.91Å; L115-T157 HydrophobicContact CD1-CG2 4.01Å; L115-E229 HydrophobicContact CD1-CB 4.42Å; L115-E229 HydrophobicContact CD1-CG 3.89Å; L115-V230 HydrophobicContact CD1-CB 4.48Å; L115-V230 HydrophobicContact CD1-CG2 3.81Å; L115-V230 HydrophobicContact CD2-CB 4.37Å; L115-V230 HydrophobicContact CD2-CG2 4.19Å; L115-R233 HydrophobicContact CD2-CG 4.1Å; L115-R233 PolarHBondContact O-NE 3.39Å; L115-R233 PolarHBondContact O-NH2 3.5Å; L115-R233 VanDerWaalsContact O-NH2 3.09Å
116	H	96.5	Very high	96.3	Very high	47 Å²	47	41.1 Å²	41.1	22%	0.218	23%	0.229	C	C	.	.	H	α-helix	trans	-105.6	-21.7	-164.8	-54.9	-47.3	0	0	0	115.1	D112 K118 E229	D112-H116 WeakPolarHBondContact O-CB 3.49Å; D112-H116 PolarHBondContact O-CD2 3.43Å; D112-H116 VanDerWaalsContact O-CD2 3.24Å; D112-H116 PolarHBondContact O-N 2.83Å; D112-H116 IonicContact OD1-CD2 2.71Å; H116-K118 PolarHBondContact O-N 2.93Å; H116-E229 IonicContact CD2-OE1 3.55Å; H116-E229 IonicContact CE1-OE1 3.98Å; H116-E229 IonicContact NE2-OE1 3.14Å; H116-E229 PolarHBondContact NE2-OE1 2.97Å
117	E	95.9	Very high	96.3	Very high	69 Å²	69	40.6 Å²	40.6	32%	0.322	23%	0.227	S	C	.	.			trans	-74.1	59.1	169.4	-62.4	-177.8	-170.7	0	0	111.1	Q113 T119 V120 Y121	Q113-E117 HydrophobicContact CB-CG 4.21Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.46Å; Q113-E117 PolarHBondContact NE2-OE1 3.32Å; Q113-E117 WeakPolarHBondContact O-CB 3.45Å; Q113-E117 WeakPolarHBondContact O-CG 3.47Å; Q113-E117 PolarHBondContact O-N 3.02Å; E117-T119 PolarHBondContact O-N 2.72Å; E117-V120 HydrophobicContact CB-CB 4.07Å; E117-V120 HydrophobicContact CB-CG2 4.1Å; E117-V120 WeakPolarHBondContact O-CA 3.45Å; E117-V120 PolarHBondContact O-N 2.89Å; E117-Y121 HydrophobicContact CB-CD2 4.03Å; E117-Y121 HydrophobicContact CB-CE2 4.16Å; E117-Y121 PolarHBondContact O-N 3.32Å
118	K	94.8	Very high	96.5	Very high	96 Å²	96	38.3 Å²	38.3	42%	0.417	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.8	-176.1	-66.2	166	-176.1	166.9	0	113.8	H116 P122 R233	H116-K118 PolarHBondContact O-N 2.93Å; K118-P122 VanDerWaalsContact O-CA 3.22Å; K118-P122 WeakPolarHBondContact O-CA 3.36Å; K118-R233 WeakPolarHBondContact CE-O 3.46Å; K118-R233 PolarHBondContact NZ-O 3.24Å
119	T	94.4	Very high	96.6	Very high	94 Å²	94	39 Å²	39	58%	0.577	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-19.5	171.1	80.6	0	0	0	0	113.3	E117 R324	E117-T119 PolarHBondContact O-N 2.72Å; T119-R324 VanDerWaalsContact O-CD 3.28Å; T119-R324 WeakPolarHBondContact O-CD 3.5Å; T119-R324 WeakPolarHBondContact O-CG 3.24Å; T119-R324 PolarHBondContact O-NE 3.32Å; T119-R324 PolarHBondContact OG1-NH2 2.88Å
120	V	94.8	Very high	96.7	Very high	25 Å²	25	38.4 Å²	38.4	15%	0.152	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-37	174.8	-175.7	0	0	0	0	110.4	E117 P122 S320 K321	E117-V120 HydrophobicContact CB-CB 4.07Å; E117-V120 HydrophobicContact CB-CG2 4.1Å; E117-V120 WeakPolarHBondContact O-CA 3.45Å; E117-V120 PolarHBondContact O-N 2.89Å; V120-P122 WeakPolarHBondContact O-CD 3.03Å; V120-S320 CarbonylContact O-C 3.6Å; V120-S320 VanDerWaalsContact O-CB 3.26Å; V120-S320 WeakPolarHBondContact O-CB 3.36Å; V120-K321 HydrophobicContact CG1-CB 4.32Å; V120-K321 HydrophobicContact CG1-CG 4.22Å
121	Y	96.1	Very high	96.8	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.016	21%	0.205	C	C	.	.			trans	-124.7	71.8	-178.1	-46.2	-71.6	0	0	0	110.5	Q113 L114 E117 L123 F166 R233 V317 K321	Q113-Y121 WeakPolarHBondContact O-CD2 3.27Å; L114-Y121 HydrophobicContact CD1-CD1 3.9Å; L114-Y121 HydrophobicContact CD1-CD2 4.13Å; L114-Y121 HydrophobicContact CD1-CE1 4.22Å; L114-Y121 HydrophobicContact CD1-CE2 4.47Å; L114-Y121 HydrophobicContact CD1-CG 3.82Å; E117-Y121 HydrophobicContact CB-CD2 4.03Å; E117-Y121 HydrophobicContact CB-CE2 4.16Å; E117-Y121 PolarHBondContact O-N 3.32Å; Y121-L123 PolarHBondContact O-N 3.18Å; Y121-F166 HydrophobicContact CE1-CE1 4.44Å; Y121-F166 HydrophobicContact CE1-CZ 4.43Å; Y121-R233 PolarHBondContact O-NH1 2.88Å; Y121-R233 PolarHBondContact O-NH2 3.13Å; Y121-V317 HydrophobicContact CD1-CG1 3.64Å; Y121-V317 HydrophobicContact CE1-CG1 3.87Å; Y121-K321 HydrophobicContact CE1-CB 3.98Å; Y121-K321 HydrophobicContact CE1-CD 4.07Å; Y121-K321 HydrophobicContact CE1-CG 4.26Å; Y121-K321 WeakPolarHBondContact OH-CD 3.34Å; Y121-K321 WeakPolarHBondContact OH-CE 3.47Å; Y121-K321 PolarHBondContact OH-NZ 3.32Å
122	P	94.6	Very high	96.8	Very high	77 Å²	77	38.8 Å²	38.8	50%	0.5	21%	0.205	S	C	.	.	S	Bend	trans	-63.2	-44.2	-174.3	24.6	-33.4	0	0	0	112.1	K118 V120 R233	K118-P122 VanDerWaalsContact O-CA 3.22Å; K118-P122 WeakPolarHBondContact O-CA 3.36Å; V120-P122 WeakPolarHBondContact O-CD 3.03Å; P122-R233 PolarHBondContact O-NH1 3.41Å
123	L	93.9	Very high	96.9	Very high	128 Å²	128	36.6 Å²	36.6	67%	0.67	19%	0.193	S	C	*	.			trans	-107.1	147.8	175.9	-59.7	178.3	0	0	0	110.4	Y121	Y121-L123 PolarHBondContact O-N 3.18Å
124	L	96.8	Very high	97	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.058	18%	0.184	C	C	.	.			trans	-149.4	102.7	176	-174.1	64	0	0	0	109	L114 L115 L128 R129 V317	L114-L124 HydrophobicContact CD1-CD1 3.97Å; L114-L124 HydrophobicContact CD2-CD1 4.17Å; L114-L124 HydrophobicContact CD2-CD2 4.47Å; L114-L124 HydrophobicContact CG-CD1 4.16Å; L114-L124 HydrophobicContact CG-CD2 4.17Å; L115-L124 HydrophobicContact CD2-CD2 3.91Å; L124-L128 HydrophobicContact CD1-CD2 3.9Å; L124-L128 HydrophobicContact CD1-CG 4.41Å; L124-R129 HydrophobicContact CD2-CG 3.79Å; L124-R129 HydrophobicContact CG-CG 3.75Å; L124-R129 PolarHBondContact O-NE 2.76Å; L124-R129 PolarHBondContact O-NH2 3.29Å; L124-V317 HydrophobicContact CD1-CG2 3.9Å
125	A	97.6	Very high	97	Very high	47 Å²	47	35 Å²	35	39%	0.388	18%	0.184	S	C	.	.			trans	-68	150.6	-172.3	0	0	0	0	0	112.9	S127 L128 R129 A313	A125-S127 VanDerWaalsContact C-N 3.29Å; A125-S127 PolarHBondContact O-N 2.93Å; A125-L128 PolarHBondContact O-N 3.46Å; A125-R129 PolarHBondContact O-N 2.97Å; A125-A313 HydrophobicContact CB-CB 3.78Å
126	W	97.9	Very high	97	Very high	38 Å²	38	35 Å²	35	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-30.4	-176.1	-61.9	120	0	0	0	113.8	R129 L130 L231 D266 I267 P268 F305	W126-R129 PolarHBondContact O-N 3.01Å; W126-L130 WeakPolarHBondContact O-CB 3.19Å; W126-L130 WeakPolarHBondContact O-CG 3.26Å; W126-L130 PolarHBondContact O-N 3.23Å; W126-L231 HydrophobicContact CE3-CD2 4.23Å; W126-L231 HydrophobicContact CZ3-CD2 3.83Å; W126-D266 WeakPolarHBondContact CZ2-OD2 3.27Å; W126-D266 PolarHBondContact NE1-OD2 3.05Å; W126-I267 HydrophobicContact CH2-CD1 4.27Å; W126-I267 HydrophobicContact CH2-CG1 3.44Å; W126-I267 VanDerWaalsContact CH2-CG1 3.44Å; W126-I267 HydrophobicContact CZ2-CG1 3.82Å; W126-I267 HydrophobicContact CZ3-CG1 3.88Å; W126-P268 HydrophobicContact CB-CG 3.7Å; W126-P268 HydrophobicContact CG-CG 3.92Å; W126-F305 HydrophobicContact CB-CZ 4.41Å
127	S	97.6	Very high	97.1	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-55.5	-54	174.5	52.1	0	0	0	0	111.8	A125 R129 L130 R131 N309 A313	A125-S127 VanDerWaalsContact C-N 3.29Å; A125-S127 PolarHBondContact O-N 2.93Å; S127-R129 PolarHBondContact O-N 3.46Å; S127-L130 PolarHBondContact O-N 3.4Å; S127-R131 PolarHBondContact O-N 3.32Å; S127-N309 WeakPolarHBondContact CB-O 3.36Å; S127-N309 PolarHBondContact OG-O 2.92Å; S127-A313 WeakPolarHBondContact OG-CB 3.29Å
128	L	98.3	Very high	97.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-37.1	178.1	-179.7	56.1	0	0	0	112.3	L124 A125 R131 V132 F166 A313 V314 V317	L124-L128 HydrophobicContact CD1-CD2 3.9Å; L124-L128 HydrophobicContact CD1-CG 4.41Å; A125-L128 PolarHBondContact O-N 3.46Å; L128-R131 PolarHBondContact O-N 3.31Å; L128-V132 HydrophobicContact CD1-CG2 4.36Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.04Å; L128-F166 HydrophobicContact CD1-CB 4.19Å; L128-A313 HydrophobicContact CB-CB 3.86Å; L128-V314 HydrophobicContact CD1-CG2 4Å; L128-V314 HydrophobicContact CD2-CG2 4.32Å; L128-V317 HydrophobicContact CD2-CG2 4.06Å
129	R	98.4	Very high	97.4	Very high	29 Å²	29	26.4 Å²	26.4	11%	0.109	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-43.8	176.1	-65.4	-158.8	-128.4	168.1	12.8	112.4	L124 A125 W126 S127 V132 L133 V230 L231	L124-R129 HydrophobicContact CD2-CG 3.79Å; L124-R129 HydrophobicContact CG-CG 3.75Å; L124-R129 PolarHBondContact O-NE 2.76Å; L124-R129 PolarHBondContact O-NH2 3.29Å; A125-R129 PolarHBondContact O-N 2.97Å; W126-R129 PolarHBondContact O-N 3.01Å; S127-R129 PolarHBondContact O-N 3.46Å; R129-V132 PolarHBondContact O-N 3.25Å; R129-L133 WeakPolarHBondContact O-CG 3.28Å; R129-L133 PolarHBondContact O-N 3.09Å; R129-V230 HydrophobicContact CB-CG1 3.74Å; R129-V230 WeakPolarHBondContact CD-O 3.44Å; R129-V230 HydrophobicContact CG-CG1 4.06Å; R129-V230 PolarHBondContact NH1-O 2.96Å; R129-L231 PolarHBondContact NH1-O 2.77Å
130	L	98.2	Very high	97.6	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-67.4	-38.3	176.6	-73.8	167.3	0	0	0	111.7	W126 S127 L133 Y134 P268 L273 L298 L302 F305	W126-L130 WeakPolarHBondContact O-CB 3.19Å; W126-L130 WeakPolarHBondContact O-CG 3.26Å; W126-L130 PolarHBondContact O-N 3.23Å; S127-L130 PolarHBondContact O-N 3.4Å; L130-L133 PolarHBondContact O-N 2.92Å; L130-Y134 VanDerWaalsContact O-CB 3.3Å; L130-Y134 WeakPolarHBondContact O-CB 3.37Å; L130-Y134 PolarHBondContact O-N 3.4Å; L130-P268 HydrophobicContact CD1-CB 4.26Å; L130-P268 HydrophobicContact CD1-CG 4.32Å; L130-L273 HydrophobicContact CD2-CD1 4.13Å; L130-L273 HydrophobicContact CD2-CD2 4.09Å; L130-L298 HydrophobicContact CD2-CD2 4.43Å; L130-L302 HydrophobicContact CB-CD1 4.3Å; L130-F305 HydrophobicContact CD1-CD2 4.35Å; L130-F305 HydrophobicContact CD1-CE2 3.54Å; L130-F305 HydrophobicContact CD1-CZ 4.25Å
131	R	98.5	Very high	97.7	Very high	20 Å²	20	22.2 Å²	22.2	8%	0.075	12%	0.12	C	C	.	.	H	α-helix	trans	-57.5	-51.6	171.2	-172.5	179.8	76.9	172.5	7.9	111.2	S127 L128 L133 Y134 E135 E165 F166 H167 L302	S127-R131 PolarHBondContact O-N 3.32Å; L128-R131 PolarHBondContact O-N 3.31Å; R131-L133 PolarHBondContact O-N 3.14Å; R131-Y134 WeakPolarHBondContact O-CB 3.41Å; R131-Y134 PolarHBondContact O-N 3.27Å; R131-E135 WeakPolarHBondContact CD-OE1 2.88Å; R131-E135 HydrophobicContact CG-CG 4.16Å; R131-E135 WeakPolarHBondContact CG-OE1 3.32Å; R131-E135 IonicContact NE-OE1 3.53Å; R131-E135 WeakPolarHBondContact O-CB 3.28Å; R131-E135 VanDerWaalsContact O-CG 3.3Å; R131-E135 WeakPolarHBondContact O-CG 3.3Å; R131-E135 PolarHBondContact O-N 3.22Å; R131-E165 PolarHBondContact NH2-O 3.07Å; R131-F166 PolarHBondContact NH2-O 3.17Å; R131-H167 VanDerWaalsContact CZ-CE1 3.48Å; R131-H167 PolarHBondContact NH1-CE1 3Å; R131-H167 PolarHBondContact NH1-NE2 3.44Å; R131-L302 HydrophobicContact CB-CD1 4.18Å
132	V	98.7	Very high	97.8	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-56.5	-46.5	178.1	165.5	0	0	0	0	111.7	L111 L128 R129 Y134 E135 I136 V168	L111-V132 HydrophobicContact CD1-CG1 3.85Å; L111-V132 HydrophobicContact CD2-CG1 3.7Å; L111-V132 HydrophobicContact CG-CG1 4.42Å; L128-V132 HydrophobicContact CD1-CG2 4.36Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.04Å; R129-V132 PolarHBondContact O-N 3.25Å; V132-Y134 VanDerWaalsContact C-N 3.35Å; V132-Y134 PolarHBondContact O-N 3.4Å; V132-E135 PolarHBondContact O-N 3.19Å; V132-I136 HydrophobicContact CG1-CD1 3.85Å; V132-I136 WeakPolarHBondContact O-CD1 3.45Å; V132-I136 VanDerWaalsContact O-CG1 3.22Å; V132-I136 WeakPolarHBondContact O-CG1 3.44Å; V132-I136 PolarHBondContact O-N 3.02Å; V132-V168 HydrophobicContact CB-CG2 4.26Å; V132-V168 HydrophobicContact CG1-CG2 3.97Å; V132-V168 HydrophobicContact CG2-CG2 4.23Å
133	L	98.8	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-40	178	-69	-177.8	0	0	0	112.8	R129 L130 R131 A137 Y223 I226 M227 V230 L231	R129-L133 WeakPolarHBondContact O-CG 3.28Å; R129-L133 PolarHBondContact O-N 3.09Å; L130-L133 PolarHBondContact O-N 2.92Å; R131-L133 PolarHBondContact O-N 3.14Å; L133-A137 WeakPolarHBondContact O-CB 3.42Å; L133-A137 PolarHBondContact O-N 3.29Å; L133-A137 VanDerWaalsContact O-N 3.12Å; L133-Y223 HydrophobicContact CD2-CE2 4.45Å; L133-Y223 PolarHBondContact O-OH 2.92Å; L133-I226 HydrophobicContact CD2-CG2 4.47Å; L133-M227 HydrophobicContact CD1-CB 4.48Å; L133-M227 HydrophobicContact CD1-CG 4.28Å; L133-M227 HydrophobicContact CD2-CB 4.45Å; L133-M227 HydrophobicContact CD2-CG 4.05Å; L133-V230 HydrophobicContact CD1-CB 4.47Å; L133-V230 HydrophobicContact CD1-CG1 4.17Å; L133-V230 HydrophobicContact CD2-CB 3.96Å; L133-V230 HydrophobicContact CD2-CG1 4.16Å; L133-V230 HydrophobicContact CD2-CG2 3.85Å; L133-V230 HydrophobicContact CG-CB 4.33Å; L133-V230 HydrophobicContact CG-CG1 4Å; L133-L231 HydrophobicContact CD1-CG 4.38Å
134	Y	98.7	Very high	97.7	Very high	31 Å²	31	16.8 Å²	16.8	12%	0.122	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-43.5	177.1	-178.7	-114.2	0	0	0	112.4	L130 R131 V132 A137 L138 V295 L298 E299 L302	L130-Y134 VanDerWaalsContact O-CB 3.3Å; L130-Y134 WeakPolarHBondContact O-CB 3.37Å; L130-Y134 PolarHBondContact O-N 3.4Å; R131-Y134 WeakPolarHBondContact O-CB 3.41Å; R131-Y134 PolarHBondContact O-N 3.27Å; V132-Y134 VanDerWaalsContact C-N 3.35Å; V132-Y134 PolarHBondContact O-N 3.4Å; Y134-A137 WeakPolarHBondContact O-CB 3.47Å; Y134-A137 PolarHBondContact O-N 3.02Å; Y134-L138 HydrophobicContact CD1-CD1 3.98Å; Y134-L138 HydrophobicContact CE1-CD1 3.47Å; Y134-L138 VanDerWaalsContact CE1-CD1 3.47Å; Y134-L138 HydrophobicContact CE1-CG 4.25Å; Y134-L138 HydrophobicContact CE2-CD1 4.4Å; Y134-L138 HydrophobicContact CE2-CG 4.36Å; Y134-L138 PolarHBondContact O-N 3Å; Y134-V295 HydrophobicContact CE2-CG1 3.91Å; Y134-L298 HydrophobicContact CD2-CB 3.95Å; Y134-E299 HydrophobicContact CE2-CB 3.71Å; Y134-E299 HydrophobicContact CE2-CG 4.07Å; Y134-E299 WeakPolarHBondContact OH-CG 3.47Å; Y134-E299 PolarHBondContact OH-OE1 3.14Å; Y134-L302 HydrophobicContact CD1-CD2 3.49Å; Y134-L302 VanDerWaalsContact CD1-CD2 3.49Å; Y134-L302 HydrophobicContact CE1-CD2 4.1Å; Y134-L302 HydrophobicContact CG-CD2 3.88Å
135	E	98.8	Very high	97.5	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.023	11%	0.11	C	C	.	.	H	α-helix	trans	-69.3	-37.6	179.8	-68.1	179.5	176.7	0	0	112.7	Y85 R131 V132 A137 L138 G139 H167 V168	Y85-E135 HydrophobicContact CD1-CB 3.7Å; Y85-E135 HydrophobicContact CD1-CG 3.83Å; Y85-E135 HydrophobicContact CD2-CB 4.41Å; Y85-E135 HydrophobicContact CE1-CB 3.86Å; Y85-E135 VanDerWaalsContact CE1-CD 3.41Å; Y85-E135 HydrophobicContact CE1-CG 3.41Å; Y85-E135 VanDerWaalsContact CE1-CG 3.41Å; Y85-E135 HydrophobicContact CE2-CG 4.36Å; Y85-E135 HydrophobicContact CG-CB 4Å; Y85-E135 HydrophobicContact CG-CG 4.44Å; R131-E135 WeakPolarHBondContact CD-OE1 2.88Å; R131-E135 HydrophobicContact CG-CG 4.16Å; R131-E135 WeakPolarHBondContact CG-OE1 3.32Å; R131-E135 IonicContact NE-OE1 3.53Å; R131-E135 WeakPolarHBondContact O-CB 3.28Å; R131-E135 VanDerWaalsContact O-CG 3.3Å; R131-E135 WeakPolarHBondContact O-CG 3.3Å; R131-E135 PolarHBondContact O-N 3.22Å; V132-E135 PolarHBondContact O-N 3.19Å; E135-A137 VanDerWaalsContact C-N 3.33Å; E135-L138 PolarHBondContact O-N 3.17Å; E135-G139 PolarHBondContact O-N 3.32Å; E135-H167 IonicContact OE1-CE1 3.35Å; E135-H167 IonicContact OE1-CG 3.2Å; E135-H167 IonicContact OE1-ND1 3.17Å; E135-H167 PolarHBondContact OE1-ND1 3.38Å; E135-H167 VanDerWaalsContact OE2-CA 3.3Å; E135-H167 WeakPolarHBondContact OE2-CA 3.33Å; E135-H167 IonicContact OE2-CG 3.53Å; E135-H167 IonicContact OE2-ND1 3.1Å; E135-V168 HydrophobicContact CB-CB 3.79Å; E135-V168 HydrophobicContact CB-CG2 3.95Å; E135-V168 PolarHBondContact OE2-N 3.37Å
136	I	98.8	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-45.5	169.6	-62.5	161	0	0	0	109.9	L111 V132 G139 V140 L155 I160 V168 I170 Y223 I226	L111-I136 HydrophobicContact CD2-CD1 3.96Å; V132-I136 HydrophobicContact CG1-CD1 3.85Å; V132-I136 WeakPolarHBondContact O-CD1 3.45Å; V132-I136 VanDerWaalsContact O-CG1 3.22Å; V132-I136 WeakPolarHBondContact O-CG1 3.44Å; V132-I136 PolarHBondContact O-N 3.02Å; I136-G139 PolarHBondContact O-N 3.15Å; I136-V140 HydrophobicContact CG2-CG2 4.39Å; I136-V140 WeakPolarHBondContact O-CG2 3.46Å; I136-V140 PolarHBondContact O-N 2.9Å; I136-L155 HydrophobicContact CG2-CD2 4.4Å; I136-I160 HydrophobicContact CD1-CD1 4.33Å; I136-I160 HydrophobicContact CD1-CG1 4.05Å; I136-I160 HydrophobicContact CD1-CG2 3.98Å; I136-I160 HydrophobicContact CG1-CD1 4.08Å; I136-I160 HydrophobicContact CG1-CG1 4.28Å; I136-I160 HydrophobicContact CG1-CG2 3.94Å; I136-I160 HydrophobicContact CG2-CD1 4.18Å; I136-V168 HydrophobicContact CG1-CG1 3.86Å; I136-V168 HydrophobicContact CG1-CG2 4.02Å; I136-I170 HydrophobicContact CG2-CD1 4.46Å; I136-Y223 HydrophobicContact CB-CD2 4.35Å; I136-Y223 HydrophobicContact CB-CE2 3.94Å; I136-Y223 HydrophobicContact CG2-CD2 3.61Å; I136-Y223 HydrophobicContact CG2-CE2 3.72Å; I136-I226 HydrophobicContact CD1-CG2 4.08Å
137	A	98.6	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-43.1	-179.8	0	0	0	0	0	112.1	L133 Y134 E135 N141 Y223 F291 C294 V295 L298	L133-A137 WeakPolarHBondContact O-CB 3.42Å; L133-A137 PolarHBondContact O-N 3.29Å; L133-A137 VanDerWaalsContact O-N 3.12Å; Y134-A137 WeakPolarHBondContact O-CB 3.47Å; Y134-A137 PolarHBondContact O-N 3.02Å; E135-A137 VanDerWaalsContact C-N 3.33Å; A137-N141 WeakPolarHBondContact O-CB 3.34Å; A137-N141 PolarHBondContact O-N 2.91Å; A137-Y223 HydrophobicContact CB-CE2 4.38Å; A137-F291 HydrophobicContact CB-CD1 4.28Å; A137-C294 HydrophobicContact CB-CB 4.41Å; A137-V295 HydrophobicContact CB-CG2 3.84Å; A137-L298 HydrophobicContact CB-CD1 4.41Å
138	L	98.7	Very high	96.1	Very high	33 Å²	33	31.4 Å²	31.4	17%	0.173	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-43.8	172.8	-75	178.9	0	0	0	112	F83 Y85 Y134 E135 N141 F142 V295	F83-L138 HydrophobicContact CE1-CB 4.37Å; Y85-L138 HydrophobicContact CD2-CB 3.83Å; Y85-L138 HydrophobicContact CD2-CD1 4.37Å; Y85-L138 HydrophobicContact CE2-CB 3.98Å; Y85-L138 HydrophobicContact CE2-CD1 3.66Å; Y134-L138 HydrophobicContact CD1-CD1 3.98Å; Y134-L138 HydrophobicContact CE1-CD1 3.47Å; Y134-L138 VanDerWaalsContact CE1-CD1 3.47Å; Y134-L138 HydrophobicContact CE1-CG 4.25Å; Y134-L138 HydrophobicContact CE2-CD1 4.4Å; Y134-L138 HydrophobicContact CE2-CG 4.36Å; Y134-L138 PolarHBondContact O-N 3Å; E135-L138 PolarHBondContact O-N 3.17Å; L138-N141 PolarHBondContact O-N 3.36Å; L138-F142 PolarHBondContact O-N 2.84Å; L138-V295 HydrophobicContact CD2-CB 4.46Å; L138-V295 HydrophobicContact CD2-CG1 3.72Å; L138-V295 HydrophobicContact CD2-CG2 3.79Å; L138-V295 HydrophobicContact CG-CG2 4.18Å
139	G	98.2	Very high	95.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-53.5	177.9	0	0	0	0	0	112.5	E135 I136 F142 L143	E135-G139 PolarHBondContact O-N 3.32Å; I136-G139 PolarHBondContact O-N 3.15Å; G139-F142 WeakPolarHBondContact O-CB 3.35Å; G139-F142 PolarHBondContact O-N 3.27Å; G139-L143 WeakPolarHBondContact O-CG 3.23Å; G139-L143 PolarHBondContact O-N 3.48Å
140	V	97.3	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-35.2	178.7	-171.5	0	0	0	0	111.6	I136 F142 L143 H144 L155 I170 D219 F291	I136-V140 HydrophobicContact CG2-CG2 4.39Å; I136-V140 WeakPolarHBondContact O-CG2 3.46Å; I136-V140 PolarHBondContact O-N 2.9Å; V140-F142 VanDerWaalsContact C-N 3.31Å; V140-F142 PolarHBondContact O-N 3.08Å; V140-L143 PolarHBondContact O-N 2.87Å; V140-H144 WeakPolarHBondContact CG1-NE2 3.36Å; V140-H144 WeakPolarHBondContact O-CB 3.47Å; V140-H144 PolarHBondContact O-CD2 3.3Å; V140-H144 PolarHBondContact O-N 3.46Å; V140-L155 HydrophobicContact CG2-CD1 3.9Å; V140-L155 HydrophobicContact CG2-CD2 4.11Å; V140-I170 HydrophobicContact CG2-CD1 3.66Å; V140-D219 HydrophobicContact CG1-CB 4.04Å; V140-F291 HydrophobicContact CB-CD1 4.04Å; V140-F291 HydrophobicContact CB-CD2 4.17Å; V140-F291 HydrophobicContact CB-CE1 3.83Å; V140-F291 HydrophobicContact CB-CE2 3.98Å; V140-F291 HydrophobicContact CB-CG 4.21Å; V140-F291 HydrophobicContact CB-CZ 3.8Å; V140-F291 HydrophobicContact CG1-CD1 4.42Å; V140-F291 HydrophobicContact CG1-CD2 3.7Å; V140-F291 HydrophobicContact CG1-CE1 4.09Å; V140-F291 HydrophobicContact CG1-CE2 3.31Å; V140-F291 HydrophobicContact CG1-CG 4.24Å; V140-F291 HydrophobicContact CG1-CZ 3.53Å; V140-F291 HydrophobicContact CG2-CE1 4.26Å; V140-F291 HydrophobicContact CG2-CZ 4.23Å
141	N	97.5	Very high	94.6	Very high	31 Å²	31	36.3 Å²	36.3	17%	0.166	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-42.6	172.6	-171.6	61.6	0	0	0	111.8	A137 L138 H144 N145 F291 L292	A137-N141 WeakPolarHBondContact O-CB 3.34Å; A137-N141 PolarHBondContact O-N 2.91Å; L138-N141 PolarHBondContact O-N 3.36Å; N141-H144 PolarHBondContact O-N 3.15Å; N141-N145 WeakPolarHBondContact O-CB 3.48Å; N141-N145 PolarHBondContact O-N 3.36Å; N141-N145 PolarHBondContact O-ND2 3.1Å; N141-N145 PolarHBondContact OD1-ND2 2.73Å; N141-F291 HydrophobicContact CB-CB 3.8Å; N141-L292 PolarHBondContact OD1-N 3.39Å
142	F	97.3	Very high	94.2	Very high	56 Å²	56	35.3 Å²	35.3	25%	0.246	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-48.6	174.2	164.5	-96.1	0	0	0	111.6	A81 F83 I86 L138 G139 V140 H144 N145 M146	A81-F142 HydrophobicContact CB-CE1 4.38Å; F83-F142 HydrophobicContact CB-CB 4.5Å; F83-F142 HydrophobicContact CB-CD1 3.42Å; F83-F142 VanDerWaalsContact CB-CD1 3.42Å; F83-F142 HydrophobicContact CB-CD2 3.87Å; F83-F142 HydrophobicContact CB-CE1 3.44Å; F83-F142 VanDerWaalsContact CB-CE1 3.44Å; F83-F142 HydrophobicContact CB-CE2 3.88Å; F83-F142 HydrophobicContact CB-CG 3.65Å; F83-F142 HydrophobicContact CB-CZ 3.68Å; F83-F142 HydrophobicContact CD1-CB 3.48Å; F83-F142 VanDerWaalsContact CD1-CB 3.48Å; F83-F142 AromaticContact CD1-CD1 3.86Å; F83-F142 HydrophobicContact CD1-CD1 3.86Å; F83-F142 HydrophobicContact CD1-CD2 4.26Å; F83-F142 AromaticContact CD1-CG 3.59Å; F83-F142 HydrophobicContact CD1-CG 3.59Å; F83-F142 HydrophobicContact CD2-CD2 4.03Å; F83-F142 HydrophobicContact CD2-CE2 4.49Å; F83-F142 HydrophobicContact CD2-CG 4.19Å; F83-F142 HydrophobicContact CE1-CB 3.67Å; F83-F142 HydrophobicContact CE1-CG 4.24Å; F83-F142 HydrophobicContact CG-CB 3.95Å; F83-F142 AromaticContact CG-CD1 3.82Å; F83-F142 HydrophobicContact CG-CD1 3.82Å; F83-F142 AromaticContact CG-CD2 3.82Å; F83-F142 HydrophobicContact CG-CD2 3.82Å; F83-F142 HydrophobicContact CG-CE1 4.3Å; F83-F142 HydrophobicContact CG-CE2 4.29Å; F83-F142 AromaticContact CG-CG 3.56Å; F83-F142 HydrophobicContact CG-CG 3.56Å; F83-F142 HydrophobicContact CZ-CB 4.3Å; I86-F142 HydrophobicContact CG1-CD1 4.01Å; I86-F142 HydrophobicContact CG1-CE1 4.31Å; L138-F142 PolarHBondContact O-N 2.84Å; G139-F142 WeakPolarHBondContact O-CB 3.35Å; G139-F142 PolarHBondContact O-N 3.27Å; V140-F142 VanDerWaalsContact C-N 3.31Å; V140-F142 PolarHBondContact O-N 3.08Å; F142-H144 VanDerWaalsContact C-N 3.31Å; F142-H144 PolarHBondContact O-N 2.92Å; F142-N145 CarbonylContact O-C 3.55Å; F142-N145 PolarHBondContact O-N 3.48Å; F142-N145 VanDerWaalsContact O-N 3.12Å; F142-M146 HydrophobicContact CE1-CG 4.37Å; F142-M146 HydrophobicContact CE1-SD 4.12Å; F142-M146 HydrophobicContact CZ-CG 4.37Å; F142-M146 HydrophobicContact CZ-SD 4.44Å; F142-M146 WeakPolarHBondContact O-CG 3.35Å; F142-M146 PolarHBondContact O-N 3.09Å
143	L	93.7	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-42.7	178	-59.8	-176.4	0	0	0	112	A81 I86 G139 V140 N145 M146 L150 F173	A81-L143 HydrophobicContact CB-CD2 3.9Å; I86-L143 HydrophobicContact CD1-CD1 4.04Å; I86-L143 HydrophobicContact CD1-CD2 3.78Å; I86-L143 HydrophobicContact CD1-CG 3.85Å; I86-L143 HydrophobicContact CG1-CD2 4.1Å; G139-L143 WeakPolarHBondContact O-CG 3.23Å; G139-L143 PolarHBondContact O-N 3.48Å; V140-L143 PolarHBondContact O-N 2.87Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 2.96Å; L143-M146 HydrophobicContact CD2-SD 4.08Å; L143-M146 WeakPolarHBondContact O-CB 3.32Å; L143-M146 WeakPolarHBondContact O-CG 3.49Å; L143-M146 PolarHBondContact O-N 3.06Å; L143-L150 CarbonylContact C-O 3.57Å; L143-L150 HydrophobicContact CB-CB 4.31Å; L143-L150 WeakPolarHBondContact CB-O 3.38Å; L143-L150 HydrophobicContact CD2-CD2 4.2Å; L143-L150 PolarHBondContact O-N 2.86Å; L143-F173 HydrophobicContact CD1-CB 4.45Å; L143-F173 HydrophobicContact CD1-CD2 4.44Å; L143-F173 HydrophobicContact CD1-CG 4.29Å; L143-F173 HydrophobicContact CD2-CE2 4.45Å
144	H	92.8	Very high	93.1	Very high	38 Å²	38	36.8 Å²	36.8	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-69.4	-22.9	179.3	-76	-151.1	0	0	0	113.4	V140 N141 F142 P149 L150 L151 A216 D219 F291	V140-H144 WeakPolarHBondContact CG1-NE2 3.36Å; V140-H144 WeakPolarHBondContact O-CB 3.47Å; V140-H144 PolarHBondContact O-CD2 3.3Å; V140-H144 PolarHBondContact O-N 3.46Å; N141-H144 PolarHBondContact O-N 3.15Å; F142-H144 VanDerWaalsContact C-N 3.31Å; F142-H144 PolarHBondContact O-N 2.92Å; H144-P149 WeakPolarHBondContact O-CB 3.09Å; H144-L150 PolarHBondContact CD2-O 3.19Å; H144-L151 WeakPolarHBondContact NE2-CD2 3.37Å; H144-A216 PolarHBondContact CE1-O 2.92Å; H144-D219 IonicContact CD2-OD2 3.7Å; H144-D219 IonicContact CE1-OD2 2.71Å; H144-D219 IonicContact NE2-OD2 2.63Å; H144-D219 PolarHBondContact NE2-OD2 3.1Å; H144-F291 AromaticContact CE1-CD2 3.86Å; H144-F291 AromaticContact CE1-CE2 3.79Å; H144-F291 AromaticContact ND1-CD2 3.82Å
145	N	93.9	Very high	92.9	Very high	115 Å²	115	35.3 Å²	35.3	62%	0.615	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	3	175.8	-75.8	-89.8	0	0	0	113.7	N141 F142 L143	N141-N145 WeakPolarHBondContact O-CB 3.48Å; N141-N145 PolarHBondContact O-N 3.36Å; N141-N145 PolarHBondContact O-ND2 3.1Å; N141-N145 PolarHBondContact OD1-ND2 2.73Å; F142-N145 CarbonylContact O-C 3.55Å; F142-N145 PolarHBondContact O-N 3.48Å; F142-N145 VanDerWaalsContact O-N 3.12Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 2.96Å
146	M	90.1	Very high	92.6	Very high	37 Å²	37	36.1 Å²	36.1	18%	0.182	20%	0.202	C	C	.	.	S	Bend	trans	-62.7	159	169	-64.8	-174.9	76.7	0	0	111.2	K80 A81 F142 L143 P148 P149 L150	K80-M146 HydrophobicContact CB-CE 4.17Å; A81-M146 HydrophobicContact CB-CE 4.05Å; A81-M146 HydrophobicContact CB-SD 3.92Å; F142-M146 HydrophobicContact CE1-CG 4.37Å; F142-M146 HydrophobicContact CE1-SD 4.12Å; F142-M146 HydrophobicContact CZ-CG 4.37Å; F142-M146 HydrophobicContact CZ-SD 4.44Å; F142-M146 WeakPolarHBondContact O-CG 3.35Å; F142-M146 PolarHBondContact O-N 3.09Å; L143-M146 HydrophobicContact CD2-SD 4.08Å; L143-M146 WeakPolarHBondContact O-CB 3.32Å; L143-M146 WeakPolarHBondContact O-CG 3.49Å; L143-M146 PolarHBondContact O-N 3.06Å; M146-P148 VanDerWaalsContact C-C 3.44Å; M146-P148 CarbonylContact C-O 3.58Å; M146-P148 CarbonylContact O-C 3.54Å; M146-P149 VanDerWaalsContact O-CA 3.3Å; M146-P149 WeakPolarHBondContact O-CA 3.21Å; M146-P149 WeakPolarHBondContact O-CD 3.38Å; M146-L150 HydrophobicContact SD-CB 3.94Å; M146-L150 HydrophobicContact SD-CD2 3.94Å
147	T	84.9	Confident	92.5	Very high	145 Å²	145	36.1 Å²	36.1	89%	0.89	20%	0.202	S	C	*	.	S	Bend	trans	-117.9	108.9	174.5	-63.5	0	0	0	0	110.4
148	P	87.7	Confident	92.3	Very high	112 Å²	112	39.1 Å²	39.1	73%	0.727	22%	0.216	S	C	*	.	S	Bend	cis	-68.9	160.2	-8.7	32.3	-37	0	0	0	112.5	M146	M146-P148 VanDerWaalsContact C-C 3.44Å; M146-P148 CarbonylContact C-O 3.58Å; M146-P148 CarbonylContact O-C 3.54Å
149	P	88.2	Confident	92.1	Very high	80 Å²	80	38.1 Å²	38.1	52%	0.519	21%	0.211	S	C	.	.			trans	-56.2	140.4	177.3	-30.8	37.8	0	0	0	113.1	H144 M146	H144-P149 WeakPolarHBondContact O-CB 3.09Å; M146-P149 VanDerWaalsContact O-CA 3.3Å; M146-P149 WeakPolarHBondContact O-CA 3.21Å; M146-P149 WeakPolarHBondContact O-CD 3.38Å
150	L	87.7	Confident	92.1	Very high	22 Å²	22	38.1 Å²	38.1	12%	0.115	21%	0.211	C	C	.	.			trans	-108.3	128.3	176.7	-172.9	57.3	0	0	0	109.8	V77 A81 L143 H144 M146 F173	V77-L150 HydrophobicContact CG1-CD1 3.87Å; V77-L150 HydrophobicContact CG1-CD2 3.45Å; V77-L150 VanDerWaalsContact CG1-CD2 3.45Å; V77-L150 HydrophobicContact CG1-CG 4.33Å; A81-L150 HydrophobicContact CB-CD2 4.16Å; L143-L150 CarbonylContact C-O 3.57Å; L143-L150 HydrophobicContact CB-CB 4.31Å; L143-L150 WeakPolarHBondContact CB-O 3.38Å; L143-L150 HydrophobicContact CD2-CD2 4.2Å; L143-L150 PolarHBondContact O-N 2.86Å; H144-L150 PolarHBondContact CD2-O 3.19Å; M146-L150 HydrophobicContact SD-CB 3.94Å; M146-L150 HydrophobicContact SD-CD2 3.94Å; L150-F173 HydrophobicContact CD2-CD2 3.75Å; L150-F173 HydrophobicContact CD2-CE2 3.72Å; L150-F173 HydrophobicContact CG-CD2 4.36Å
151	L	88.5	Confident	92.1	Very high	35 Å²	35	40.1 Å²	40.1	18%	0.183	22%	0.222	C	C	.	.			trans	-117.1	138.6	-175.8	-52.2	175.9	0	0	0	109.3	H144 H153 S176 D215	H144-L151 WeakPolarHBondContact NE2-CD2 3.37Å; L151-H153 WeakPolarHBondContact CB-NE2 3.11Å; L151-S176 PolarHBondContact O-OG 3.31Å; L151-D215 HydrophobicContact CD1-CB 4.01Å
152	H	90.1	Very high	92.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.			trans	-86.9	-44.1	-168.2	-172.5	-24.9	0	0	0	113.2	D154 L155 I170 A171 F173 S176 D219	H152-D154 PolarHBondContact CE1-O 3.5Å; H152-D154 PolarHBondContact ND1-N 3.5Å; H152-D154 PolarHBondContact O-N 3.39Å; H152-L155 WeakPolarHBondContact CD2-CD1 3.48Å; H152-I170 VanDerWaalsContact CD2-CG2 3.48Å; H152-I170 WeakPolarHBondContact CD2-CG2 3.4Å; H152-A171 PolarHBondContact CE1-O 3.43Å; H152-A171 PolarHBondContact NE2-O 3.28Å; H152-F173 HydrophobicContact CB-CB 4.08Å; H152-F173 WeakPolarHBondContact ND1-CA 3.36Å; H152-S176 WeakPolarHBondContact O-CB 3.28Å; H152-D219 PolarHBondContact N-OD1 2.84Å; H152-D219 PolarHBondContact N-OD2 3.29Å
153	H	87.6	Confident	92.2	Very high	21 Å²	21	37.5 Å²	37.5	10%	0.097	21%	0.21	C	C	.	.	S	Bend	trans	51.6	19.9	177	-55.9	171.1	0	0	0	116.3	L151 R179 D215 H218 D219	L151-H153 WeakPolarHBondContact CB-NE2 3.11Å; H153-R179 PolarHBondContact O-NH1 3.33Å; H153-D215 PolarHBondContact NE2-O 3.01Å; H153-H218 AromaticContact CD2-CG 3.8Å; H153-D219 IonicContact CD2-OD1 3.16Å; H153-D219 PolarHBondContact N-OD1 3.48Å
154	D	87	Confident	92.3	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.059	22%	0.221	C	C	.	.			trans	-158	33.8	171.5	-165.3	51.7	0	0	0	110.6	F37 H152 K156 N159 R179	F37-D154 WeakPolarHBondContact CE2-OD2 3.37Å; F37-D154 WeakPolarHBondContact CZ-OD2 3.45Å; H152-D154 PolarHBondContact CE1-O 3.5Å; H152-D154 PolarHBondContact ND1-N 3.5Å; H152-D154 PolarHBondContact O-N 3.39Å; D154-K156 VanDerWaalsContact CG-NZ 3.32Å; D154-K156 PolarHBondContact O-N 3.25Å; D154-K156 IonicContact OD1-NZ 3.56Å; D154-K156 PolarHBondContact OD1-NZ 3.13Å; D154-K156 IonicContact OD2-NZ 3.81Å; D154-K156 PolarHBondContact OD2-NZ 3.4Å; D154-N159 PolarHBondContact O-ND2 2.79Å; D154-N159 PolarHBondContact OD2-ND2 3.28Å; D154-R179 VanDerWaalsContact CG-NH1 3.29Å; D154-R179 IonicContact OD1-CZ 2.62Å; D154-R179 IonicContact OD1-NH1 3.76Å; D154-R179 PolarHBondContact OD1-NH1 3.31Å; D154-R179 IonicContact OD1-NH2 3.37Å; D154-R179 PolarHBondContact OD1-NH2 2.91Å; D154-R179 IonicContact OD2-CZ 2.71Å; D154-R179 IonicContact OD2-NH2 3.82Å; D154-R179 PolarHBondContact OD2-NH2 2.76Å; D154-R179 VanDerWaalsContact OD2-NH2 3.14Å
155	L	93.1	Very high	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.			trans	-69.2	122.2	178.2	-169.1	81.1	0	0	0	108.7	I136 V140 H152 I160 I170 Y200 S222 I226	I136-L155 HydrophobicContact CG2-CD2 4.4Å; V140-L155 HydrophobicContact CG2-CD1 3.9Å; V140-L155 HydrophobicContact CG2-CD2 4.11Å; H152-L155 WeakPolarHBondContact CD2-CD1 3.48Å; L155-I160 HydrophobicContact CD1-CD1 3.74Å; L155-I160 HydrophobicContact CG-CD1 4.42Å; L155-I170 HydrophobicContact CD1-CG2 4.24Å; L155-Y200 WeakPolarHBondContact O-CB 3.47Å; L155-S222 WeakPolarHBondContact O-CB 3.47Å; L155-I226 HydrophobicContact CD2-CD1 3.97Å; L155-I226 HydrophobicContact CG-CD1 3.76Å
156	K	93.5	Very high	92.7	Very high	23 Å²	23	35.7 Å²	35.7	10%	0.1	20%	0.204	C	C	.	.			trans	-161.8	159.6	-176.9	62.7	-168.1	-172.7	-145.7	0	110.3	D154 Q158 N159 I160 Y200	D154-K156 VanDerWaalsContact CG-NZ 3.32Å; D154-K156 PolarHBondContact O-N 3.25Å; D154-K156 IonicContact OD1-NZ 3.56Å; D154-K156 PolarHBondContact OD1-NZ 3.13Å; D154-K156 IonicContact OD2-NZ 3.81Å; D154-K156 PolarHBondContact OD2-NZ 3.4Å; K156-Q158 HydrophobicContact CG-CB 4.44Å; K156-Q158 VanDerWaalsContact CG-OE1 3.22Å; K156-Q158 PolarHBondContact O-N 2.99Å; K156-N159 VanDerWaalsContact CE-OD1 3.3Å; K156-N159 WeakPolarHBondContact CE-OD1 3.47Å; K156-N159 HydrophobicContact CG-CB 4.06Å; K156-N159 PolarHBondContact O-N 3.07Å; K156-I160 PolarHBondContact O-N 2.88Å; K156-Y200 HydrophobicContact CB-CD1 3.97Å; K156-Y200 HydrophobicContact CB-CD2 3.5Å; K156-Y200 HydrophobicContact CB-CE1 4.02Å; K156-Y200 HydrophobicContact CB-CE2 3.58Å; K156-Y200 HydrophobicContact CB-CG 3.71Å
157	T	96.8	Very high	93.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.7	-174.7	49	0	0	0	0	114.5	L111 D112 L115 Y200 I226 E229	L111-T157 HydrophobicContact CD2-CG2 4.01Å; L111-T157 HydrophobicContact CG-CG2 4.12Å; L111-T157 PolarHBondContact N-O 3.48Å; D112-T157 PolarHBondContact N-O 3.08Å; L115-T157 HydrophobicContact CD1-CG2 4.01Å; T157-Y200 PolarHBondContact OG1-OH 3.27Å; T157-Y200 VanDerWaalsContact OG1-OH 3.08Å; T157-I226 HydrophobicContact CG2-CB 4.45Å; T157-I226 HydrophobicContact CG2-CG1 4.09Å; T157-I226 HydrophobicContact CG2-CG2 3.95Å; T157-E229 WeakPolarHBondContact CB-OE1 3.4Å; T157-E229 HydrophobicContact CG2-CG 4.36Å; T157-E229 VanDerWaalsContact CG2-OE1 3.24Å; T157-E229 WeakPolarHBondContact CG2-OE1 3.47Å; T157-E229 VanDerWaalsContact CG2-OE2 3.26Å; T157-E229 WeakPolarHBondContact CG2-OE2 3.38Å; T157-E229 PolarHBondContact OG1-OE1 3.25Å; T157-E229 PolarHBondContact OG1-OE2 2.98Å
158	Q	93.4	Very high	93.7	Very high	62 Å²	62	30 Å²	30	29%	0.29	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.9	173.2	-52.9	72.3	30.7	0	0	112.9	D112 K156	D112-Q158 HydrophobicContact CB-CB 4.48Å; D112-Q158 HydrophobicContact CB-CG 3.82Å; D112-Q158 PolarHBondContact OD1-NE2 2.86Å; K156-Q158 HydrophobicContact CG-CB 4.44Å; K156-Q158 VanDerWaalsContact CG-OE1 3.22Å; K156-Q158 PolarHBondContact O-N 2.99Å
159	N	94.3	Very high	94.2	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.4	178.1	-69.4	-0.2	0	0	0	112.9	D154 K156 A171	D154-N159 PolarHBondContact O-ND2 2.79Å; D154-N159 PolarHBondContact OD2-ND2 3.28Å; K156-N159 VanDerWaalsContact CE-OD1 3.3Å; K156-N159 WeakPolarHBondContact CE-OD1 3.47Å; K156-N159 HydrophobicContact CG-CB 4.06Å; K156-N159 PolarHBondContact O-N 3.07Å; N159-A171 PolarHBondContact O-N 2.85Å
160	I	98.1	Very high	94.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.4	166.5	-51.9	-49.8	0	0	0	107.5	S110 L111 I136 L155 K156 V168 I170	S110-I160 CarbonylContact C-O 3.5Å; S110-I160 VanDerWaalsContact CA-O 3.3Å; S110-I160 WeakPolarHBondContact CA-O 3.5Å; L111-I160 HydrophobicContact CB-CB 3.85Å; L111-I160 HydrophobicContact CB-CG2 3.94Å; L111-I160 HydrophobicContact CD2-CB 4.13Å; L111-I160 HydrophobicContact CD2-CG1 4.32Å; L111-I160 HydrophobicContact CD2-CG2 3.94Å; L111-I160 PolarHBondContact N-O 3.3Å; I136-I160 HydrophobicContact CD1-CD1 4.33Å; I136-I160 HydrophobicContact CD1-CG1 4.05Å; I136-I160 HydrophobicContact CD1-CG2 3.98Å; I136-I160 HydrophobicContact CG1-CD1 4.08Å; I136-I160 HydrophobicContact CG1-CG1 4.28Å; I136-I160 HydrophobicContact CG1-CG2 3.94Å; I136-I160 HydrophobicContact CG2-CD1 4.18Å; L155-I160 HydrophobicContact CD1-CD1 3.74Å; L155-I160 HydrophobicContact CG-CD1 4.42Å; K156-I160 PolarHBondContact O-N 2.88Å; I160-V168 HydrophobicContact CG2-CB 4.49Å; I160-V168 HydrophobicContact CG2-CG1 3.86Å; I160-V168 HydrophobicContact CG2-CG2 4.05Å; I160-I170 HydrophobicContact CD1-CG1 4.1Å
161	L	97.9	Very high	94.9	Very high	42 Å²	42	21.3 Å²	21.3	22%	0.22	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	162.9	179.1	-53.3	-177.2	0	0	0	111.8	I87 M106 G109 K169 A171	I87-L161 HydrophobicContact CD1-CD1 4.29Å; M106-L161 HydrophobicContact CB-CB 3.88Å; M106-L161 HydrophobicContact CB-CD1 4.28Å; M106-L161 HydrophobicContact CG-CB 3.57Å; M106-L161 HydrophobicContact CG-CD1 3.92Å; M106-L161 HydrophobicContact CG-CG 4.4Å; M106-L161 HydrophobicContact SD-CB 4.23Å; G109-L161 CarbonylContact O-C 3.36Å; G109-L161 WeakPolarHBondContact O-CA 3.41Å; L161-K169 HydrophobicContact CB-CB 4.38Å; L161-K169 WeakPolarHBondContact CB-O 3.38Å; L161-K169 PolarHBondContact N-O 3.28Å; L161-K169 PolarHBondContact O-N 2.94Å; L161-A171 HydrophobicContact CD1-CB 3.76Å; L161-A171 HydrophobicContact CG-CB 4.07Å
162	L	98.5	Very high	94.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.3	-172.7	-64.4	167.2	0	0	0	111.7	M106 N108 G109 L114 F166 H167	M106-L162 CarbonylContact C-O 3.48Å; N108-L162 HydrophobicContact CB-CB 3.78Å; N108-L162 PolarHBondContact N-O 3.44Å; N108-L162 VanDerWaalsContact N-O 3.09Å; G109-L162 PolarHBondContact O-N 3.39Å; L114-L162 HydrophobicContact CB-CD1 3.86Å; L114-L162 HydrophobicContact CD2-CD1 3.79Å; L114-L162 HydrophobicContact CG-CD1 4.42Å; L162-F166 HydrophobicContact CB-CD1 4.5Å; L162-F166 HydrophobicContact CD1-CD1 4.06Å; L162-H167 WeakPolarHBondContact CA-O 3.39Å
163	D	97.5	Very high	93.8	Very high	32 Å²	32	21.4 Å²	21.4	17%	0.171	11%	0.11	C	C	.	.			trans	-76.5	-172.1	178.3	78.5	-2.3	0	0	0	112.5	M106 N108 E165 F166 H167	M106-D163 HydrophobicContact CE-CB 3.79Å; M106-D163 HydrophobicContact SD-CB 3.89Å; M106-D163 PolarHBondContact SD-N 3.48Å; M106-D163 VanDerWaalsContact SD-N 3.44Å; N108-D163 WeakPolarHBondContact CB-O 3.34Å; N108-D163 PolarHBondContact ND2-O 2.79Å; D163-E165 PolarHBondContact O-N 2.83Å; D163-E165 WeakPolarHBondContact OD1-CA 3.26Å; D163-E165 PolarHBondContact OD1-N 3.23Å; D163-F166 PolarHBondContact O-N 2.62Å; D163-F166 PolarHBondContact OD1-N 3.22Å; D163-H167 PolarHBondContact N-O 3.08Å; D163-H167 VanDerWaalsContact N-O 3.14Å; D163-H167 PolarHBondContact OD1-N 2.89Å
164	G	96.3	Very high	92.4	Very high	22 Å²	22	21 Å²	21	23%	0.227	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.1	179.4	0	0	0	0	0	114.4	N108 K318	N108-G164 PolarHBondContact ND2-O 3.45Å; N108-G164 VanDerWaalsContact ND2-O 3.08Å; G164-K318 WeakPolarHBondContact O-CE 3.27Å; G164-K318 PolarHBondContact O-NZ 2.8Å
165	E	96.8	Very high	90.9	Very high	93 Å²	93	21.4 Å²	21.4	44%	0.435	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	6.9	-170.3	-79.5	46.2	-106.2	0	0	111.8	R131 D163 H167 V314 K318	R131-E165 PolarHBondContact NH2-O 3.07Å; D163-E165 PolarHBondContact O-N 2.83Å; D163-E165 WeakPolarHBondContact OD1-CA 3.26Å; D163-E165 PolarHBondContact OD1-N 3.23Å; E165-H167 VanDerWaalsContact C-N 3.28Å; E165-H167 PolarHBondContact O-N 3.14Å; E165-V314 WeakPolarHBondContact O-CG2 3.41Å; E165-K318 IonicContact OE1-NZ 4Å; E165-K318 PolarHBondContact OE1-NZ 3.2Å
166	F	97.9	Very high	89.2	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	60.8	31.7	-174.5	-64.7	-101.2	0	0	0	113.3	N108 L114 Y121 L128 R131 L162 D163 V314 V317 K318	N108-F166 HydrophobicContact CB-CD1 4.05Å; N108-F166 HydrophobicContact CB-CE1 3.67Å; N108-F166 HydrophobicContact CB-CE2 4.24Å; N108-F166 HydrophobicContact CB-CG 4.48Å; N108-F166 HydrophobicContact CB-CZ 3.77Å; N108-F166 WeakPolarHBondContact ND2-CE2 3.2Å; N108-F166 WeakPolarHBondContact OD1-CZ 3.21Å; L114-F166 HydrophobicContact CD1-CD1 4.31Å; L114-F166 HydrophobicContact CD1-CE1 4.02Å; L114-F166 HydrophobicContact CD2-CD1 4.14Å; Y121-F166 HydrophobicContact CE1-CE1 4.44Å; Y121-F166 HydrophobicContact CE1-CZ 4.43Å; L128-F166 HydrophobicContact CD1-CB 4.19Å; R131-F166 PolarHBondContact NH2-O 3.17Å; L162-F166 HydrophobicContact CB-CD1 4.5Å; L162-F166 HydrophobicContact CD1-CD1 4.06Å; D163-F166 PolarHBondContact O-N 2.62Å; D163-F166 PolarHBondContact OD1-N 3.22Å; F166-V314 HydrophobicContact CD2-CG1 4.18Å; F166-V317 HydrophobicContact CD1-CG1 4.08Å; F166-V317 HydrophobicContact CD2-CG1 4.49Å; F166-V317 HydrophobicContact CE1-CG1 3.47Å; F166-V317 VanDerWaalsContact CE1-CG1 3.47Å; F166-V317 HydrophobicContact CE2-CG1 3.92Å; F166-V317 HydrophobicContact CZ-CB 4.46Å; F166-V317 HydrophobicContact CZ-CG1 3.38Å; F166-K318 HydrophobicContact CD2-CG 4.44Å; F166-K318 HydrophobicContact CE2-CG 3.79Å
167	H	98.5	Very high	87	Confident	61 Å²	61	27.8 Å²	27.8	28%	0.282	14%	0.143	S	C	.	.			trans	-80.4	153.4	161.7	-66.6	-80.1	0	0	0	110.4	R131 E135 L162 D163 E165	R131-H167 VanDerWaalsContact CZ-CE1 3.48Å; R131-H167 PolarHBondContact NH1-CE1 3Å; R131-H167 PolarHBondContact NH1-NE2 3.44Å; E135-H167 IonicContact OE1-CE1 3.35Å; E135-H167 IonicContact OE1-CG 3.2Å; E135-H167 IonicContact OE1-ND1 3.17Å; E135-H167 PolarHBondContact OE1-ND1 3.38Å; E135-H167 VanDerWaalsContact OE2-CA 3.3Å; E135-H167 WeakPolarHBondContact OE2-CA 3.33Å; E135-H167 IonicContact OE2-CG 3.53Å; E135-H167 IonicContact OE2-ND1 3.1Å; L162-H167 WeakPolarHBondContact CA-O 3.39Å; D163-H167 PolarHBondContact N-O 3.08Å; D163-H167 VanDerWaalsContact N-O 3.14Å; D163-H167 PolarHBondContact OD1-N 2.89Å; E165-H167 VanDerWaalsContact C-N 3.28Å; E165-H167 PolarHBondContact O-N 3.14Å
168	V	98.6	Very high	84.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	138.6	-175	164.4	0	0	0	0	112.5	Y85 V132 E135 I136 I160 I170	Y85-V168 VanDerWaalsContact CA-O 3.28Å; Y85-V168 WeakPolarHBondContact CA-O 3.39Å; V132-V168 HydrophobicContact CB-CG2 4.26Å; V132-V168 HydrophobicContact CG1-CG2 3.97Å; V132-V168 HydrophobicContact CG2-CG2 4.23Å; E135-V168 HydrophobicContact CB-CB 3.79Å; E135-V168 HydrophobicContact CB-CG2 3.95Å; E135-V168 PolarHBondContact OE2-N 3.37Å; I136-V168 HydrophobicContact CG1-CG1 3.86Å; I136-V168 HydrophobicContact CG1-CG2 4.02Å; I160-V168 HydrophobicContact CG2-CB 4.49Å; I160-V168 HydrophobicContact CG2-CG1 3.86Å; I160-V168 HydrophobicContact CG2-CG2 4.05Å; V168-I170 HydrophobicContact CG1-CG1 4.07Å
169	K	98.3	Very high	82.2	Confident	27 Å²	27	31.3 Å²	31.3	12%	0.117	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	111.3	163.2	-63.5	-64.7	-171.9	145.1	0	110.7	N84 Y85 I87 E104 M106 L161	N84-K169 WeakPolarHBondContact O-CD 3.4Å; N84-K169 VanDerWaalsContact O-CE 3.24Å; N84-K169 WeakPolarHBondContact O-CE 3.49Å; N84-K169 PolarHBondContact O-NZ 2.87Å; Y85-K169 WeakPolarHBondContact O-CA 3.44Å; I87-K169 HydrophobicContact CB-CB 4.44Å; I87-K169 HydrophobicContact CD1-CB 3.8Å; I87-K169 HydrophobicContact CD1-CG 4.26Å; E104-K169 WeakPolarHBondContact OE1-CD 3.2Å; E104-K169 VanDerWaalsContact OE1-CE 3.26Å; E104-K169 WeakPolarHBondContact OE1-CE 3.3Å; E104-K169 IonicContact OE1-NZ 3.75Å; E104-K169 PolarHBondContact OE1-NZ 2.68Å; E104-K169 WeakPolarHBondContact OE2-CE 3.09Å; E104-K169 IonicContact OE2-NZ 3.74Å; E104-K169 PolarHBondContact OE2-NZ 2.94Å; M106-K169 HydrophobicContact CE-CG 3.76Å; M106-K169 HydrophobicContact SD-CB 3.75Å; M106-K169 HydrophobicContact SD-CG 3.41Å; M106-K169 WeakPolarHBondContact SD-CG 3.18Å; L161-K169 HydrophobicContact CB-CB 4.38Å; L161-K169 WeakPolarHBondContact CB-O 3.38Å; L161-K169 PolarHBondContact N-O 3.28Å; L161-K169 PolarHBondContact O-N 2.94Å
170	I	97.2	Very high	79.7	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.8	175.8	-57.4	178.4	0	0	0	109.5	Y85 I86 I87 I136 V140 H152 L155 I160 V168 F173	Y85-I170 WeakPolarHBondContact O-CG1 3.47Å; Y85-I170 PolarHBondContact O-N 3.43Å; I86-I170 HydrophobicContact CD1-CB 4.01Å; I86-I170 HydrophobicContact CD1-CD1 4.15Å; I86-I170 HydrophobicContact CD1-CG1 4.43Å; I87-I170 WeakPolarHBondContact CB-O 3.43Å; I87-I170 WeakPolarHBondContact CG2-O 3.3Å; I87-I170 PolarHBondContact N-O 3Å; I136-I170 HydrophobicContact CG2-CD1 4.46Å; V140-I170 HydrophobicContact CG2-CD1 3.66Å; H152-I170 VanDerWaalsContact CD2-CG2 3.48Å; H152-I170 WeakPolarHBondContact CD2-CG2 3.4Å; L155-I170 HydrophobicContact CD1-CG2 4.24Å; I160-I170 HydrophobicContact CD1-CG1 4.1Å; V168-I170 HydrophobicContact CG1-CG1 4.07Å; I170-F173 HydrophobicContact CG2-CD1 4.37Å
171	A	92.2	Very high	76.6	Confident	6 Å²	6	40.7 Å²	40.7	5%	0.05	20%	0.2	C	C	.	.			trans	-119.9	172.6	-178.7	0	0	0	0	0	113	I87 H152 N159 L161 F173	I87-A171 HydrophobicContact CB-CB 4.28Å; I87-A171 HydrophobicContact CG2-CB 3.99Å; H152-A171 PolarHBondContact CE1-O 3.43Å; H152-A171 PolarHBondContact NE2-O 3.28Å; N159-A171 PolarHBondContact O-N 2.85Å; L161-A171 HydrophobicContact CD1-CB 3.76Å; L161-A171 HydrophobicContact CG-CB 4.07Å; A171-F173 PolarHBondContact O-N 2.81Å
172	D	83.2	Confident	73.6	Confident	37 Å²	37	42.2 Å²	42.2	20%	0.198	21%	0.214	C	C	.	.			trans	58	10.5	171	-74.4	11	0	0	0	118.5	F37 K55 G174	F37-D172 HydrophobicContact CD2-CB 4.15Å; F37-D172 WeakPolarHBondContact CD2-OD2 3.41Å; F37-D172 HydrophobicContact CE2-CB 4.05Å; K55-D172 IonicContact NZ-OD1 2.72Å; K55-D172 PolarHBondContact NZ-OD1 3.03Å; K55-D172 IonicContact NZ-OD2 2.79Å; K55-D172 PolarHBondContact NZ-OD2 2.75Å; D172-G174 VanDerWaalsContact C-N 3.28Å; D172-G174 PolarHBondContact O-N 2.84Å
173	F	72.3	Confident	70.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-64.6	-21.4	175.6	59.5	-90.1	0	0	0	115.4	V77 L78 A81 I86 I87 L143 L150 H152 I170 A171 L175 S176	V77-F173 HydrophobicContact CG1-CD2 4.4Å; V77-F173 HydrophobicContact CG1-CE2 4.1Å; L78-F173 HydrophobicContact CD2-CE1 3.6Å; L78-F173 HydrophobicContact CD2-CE2 4.31Å; L78-F173 HydrophobicContact CD2-CZ 3.43Å; L78-F173 VanDerWaalsContact CD2-CZ 3.43Å; L78-F173 HydrophobicContact CG-CE2 4.46Å; L78-F173 HydrophobicContact CG-CZ 4.02Å; A81-F173 HydrophobicContact CB-CE2 3.74Å; A81-F173 HydrophobicContact CB-CZ 3.83Å; I86-F173 HydrophobicContact CG2-CD1 4.43Å; I86-F173 HydrophobicContact CG2-CE1 3.36Å; I86-F173 HydrophobicContact CG2-CZ 3.42Å; I86-F173 VanDerWaalsContact CG2-CZ 3.42Å; I87-F173 HydrophobicContact CG2-CE1 4.36Å; L143-F173 HydrophobicContact CD1-CB 4.45Å; L143-F173 HydrophobicContact CD1-CD2 4.44Å; L143-F173 HydrophobicContact CD1-CG 4.29Å; L143-F173 HydrophobicContact CD2-CE2 4.45Å; L150-F173 HydrophobicContact CD2-CD2 3.75Å; L150-F173 HydrophobicContact CD2-CE2 3.72Å; L150-F173 HydrophobicContact CG-CD2 4.36Å; H152-F173 HydrophobicContact CB-CB 4.08Å; H152-F173 WeakPolarHBondContact ND1-CA 3.36Å; I170-F173 HydrophobicContact CG2-CD1 4.37Å; A171-F173 PolarHBondContact O-N 2.81Å; F173-L175 PolarHBondContact O-N 3.23Å; F173-S176 PolarHBondContact O-OG 2.87Å
174	G	59	Low	67.6	Low	12 Å²	12	50 Å²	50	12%	0.124	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-72.6	-7.1	-177.8	0	0	0	0	0	115.6	D172	D172-G174 VanDerWaalsContact C-N 3.28Å; D172-G174 PolarHBondContact O-N 2.84Å
175	L	56.6	Low	64.6	Low	19 Å²	19	57.4 Å²	57.4	10%	0.099	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-103.2	-0.3	-174.5	-67.8	173.2	0	0	0	114.7	F37 E74 F173 K177 W178 R179	F37-L175 HydrophobicContact CB-CD1 3.79Å; F37-L175 HydrophobicContact CD1-CB 4.17Å; F37-L175 HydrophobicContact CD1-CD1 3.34Å; F37-L175 HydrophobicContact CD1-CG 4.37Å; F37-L175 HydrophobicContact CE1-CB 3.89Å; F37-L175 HydrophobicContact CE1-CD1 3.94Å; F37-L175 HydrophobicContact CG-CD1 3.71Å; E74-L175 HydrophobicContact CG-CD2 4.32Å; E74-L175 HydrophobicContact CG-CG 4.28Å; E74-L175 WeakPolarHBondContact OE1-CD1 3.48Å; E74-L175 WeakPolarHBondContact OE2-CD2 3.34Å; F173-L175 PolarHBondContact O-N 3.23Å; L175-K177 PolarHBondContact O-N 2.95Å; L175-W178 PolarHBondContact O-N 3.05Å; L175-W178 VanDerWaalsContact O-N 3.12Å; L175-R179 PolarHBondContact O-N 2.82Å
176	S	55.6	Low	61.6	Low	12 Å²	12	55.9 Å²	55.9	8%	0.084	30%	0.296	C	S	.	.	H	α-helix	trans	-45.8	-59.5	178	50.5	0	0	0	0	113.7	L151 H152 F173 W178 R179	L151-S176 PolarHBondContact O-OG 3.31Å; H152-S176 WeakPolarHBondContact O-CB 3.28Å; F173-S176 PolarHBondContact O-OG 2.87Å; S176-W178 VanDerWaalsContact C-N 3.3Å; S176-W178 PolarHBondContact O-N 3.28Å; S176-R179 PolarHBondContact O-N 2.98Å
177	K	47.3	Very low	58.7	Low	146 Å²	146	61.1 Å²	61.1	64%	0.635	33%	0.333	S	S	*	.	H	α-helix	trans	-66.3	-28.8	-178.6	-68.3	174.6	-179.1	169	0	113.2	L175	L175-K177 PolarHBondContact O-N 2.95Å
178	W	44	Very low	55.7	Low	85 Å²	85	62.4 Å²	62.4	32%	0.322	36%	0.362	S	S	.	.	H	α-helix	trans	-75.3	-32.1	178	-71.8	114	0	0	0	112.6	C70 K73 L175 S176 Q180 L181 S182	C70-W178 HydrophobicContact CB-CD2 4.16Å; C70-W178 HydrophobicContact CB-CH2 4.4Å; C70-W178 HydrophobicContact CB-CZ2 3.87Å; C70-W178 WeakPolarHBondContact SG-CH2 3.34Å; C70-W178 WeakPolarHBondContact SG-CZ2 3.24Å; C70-W178 WeakPolarHBondContact SG-CZ3 3.33Å; K73-W178 HydrophobicContact CD-CZ2 4.39Å; L175-W178 PolarHBondContact O-N 3.05Å; L175-W178 VanDerWaalsContact O-N 3.12Å; S176-W178 VanDerWaalsContact C-N 3.3Å; S176-W178 PolarHBondContact O-N 3.28Å; W178-Q180 VanDerWaalsContact C-N 3.34Å; W178-Q180 PolarHBondContact O-N 2.97Å; W178-L181 HydrophobicContact CE3-CD1 4.13Å; W178-L181 HydrophobicContact CZ3-CD1 4.24Å; W178-L181 PolarHBondContact O-N 2.99Å; W178-L181 VanDerWaalsContact O-N 3.12Å; W178-S182 PolarHBondContact O-N 2.86Å; W178-S182 PolarHBondContact O-OG 2.63Å
179	R	46.5	Very low	52.5	Low	50 Å²	50	67.1 Å²	67.1	19%	0.189	40%	0.395	C	S	.	.	H	α-helix	trans	-60.3	-40.3	175.5	-178.1	-178.1	-79.8	177.3	-7.3	112.5	H153 D154 L175 S176 L181 S182 I183	H153-R179 PolarHBondContact O-NH1 3.33Å; D154-R179 VanDerWaalsContact CG-NH1 3.29Å; D154-R179 IonicContact OD1-CZ 2.62Å; D154-R179 IonicContact OD1-NH1 3.76Å; D154-R179 PolarHBondContact OD1-NH1 3.31Å; D154-R179 IonicContact OD1-NH2 3.37Å; D154-R179 PolarHBondContact OD1-NH2 2.91Å; D154-R179 IonicContact OD2-CZ 2.71Å; D154-R179 IonicContact OD2-NH2 3.82Å; D154-R179 PolarHBondContact OD2-NH2 2.76Å; D154-R179 VanDerWaalsContact OD2-NH2 3.14Å; L175-R179 PolarHBondContact O-N 2.82Å; S176-R179 PolarHBondContact O-N 2.98Å; R179-L181 PolarHBondContact O-N 3.15Å; R179-S182 PolarHBondContact O-N 3.35Å; R179-S182 PolarHBondContact O-OG 2.86Å; R179-I183 HydrophobicContact CG-CD1 3.59Å; R179-I183 HydrophobicContact CG-CG1 4.21Å; R179-I183 WeakPolarHBondContact O-CB 3.26Å; R179-I183 WeakPolarHBondContact O-CG1 3.42Å; R179-I183 PolarHBondContact O-N 2.82Å; R179-I183 VanDerWaalsContact O-N 3.11Å
180	Q	41.6	Very low	49.2	Very low	113 Å²	113	75.1 Å²	75.1	53%	0.528	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-32.5	176	-63.7	-178.3	-8.6	0	0	112.4	W178 S184	W178-Q180 VanDerWaalsContact C-N 3.34Å; W178-Q180 PolarHBondContact O-N 2.97Å; Q180-S184 PolarHBondContact O-OG 2.96Å
181	L	33.8	Very low	46.1	Very low	98 Å²	98	80 Å²	80	51%	0.513	46%	0.461	S	S	.	.	H	α-helix	trans	-85.4	-24.9	-179.1	-77.3	161	0	0	0	114.2	W178 R179 S184	W178-L181 HydrophobicContact CE3-CD1 4.13Å; W178-L181 HydrophobicContact CZ3-CD1 4.24Å; W178-L181 PolarHBondContact O-N 2.99Å; W178-L181 VanDerWaalsContact O-N 3.12Å; R179-L181 PolarHBondContact O-N 3.15Å; L181-S184 PolarHBondContact O-OG 3.2Å
182	S	33.8	Very low	43.5	Very low	73 Å²	73	84.1 Å²	84.1	51%	0.51	49%	0.488	S	S	.	.	H	α-helix	trans	-87.2	-40.6	177.7	59.8	0	0	0	0	112.7	W178 R179 S184 K185 G186	W178-S182 PolarHBondContact O-N 2.86Å; W178-S182 PolarHBondContact O-OG 2.63Å; R179-S182 PolarHBondContact O-N 3.35Å; R179-S182 PolarHBondContact O-OG 2.86Å; S182-S184 PolarHBondContact O-N 3.01Å; S182-K185 PolarHBondContact O-N 2.77Å; S182-G186 PolarHBondContact O-N 3.41Å
183	I	38.7	Very low	41.3	Very low	113 Å²	113	90.1 Å²	90.1	58%	0.579	52%	0.515	S	S	*	.	H	α-helix	trans	-59.3	-36.4	175.4	-68.9	176.2	0	0	0	111	R179 K185	R179-I183 HydrophobicContact CG-CD1 3.59Å; R179-I183 HydrophobicContact CG-CG1 4.21Å; R179-I183 WeakPolarHBondContact O-CB 3.26Å; R179-I183 WeakPolarHBondContact O-CG1 3.42Å; R179-I183 PolarHBondContact O-N 2.82Å; R179-I183 VanDerWaalsContact O-N 3.11Å; I183-K185 VanDerWaalsContact C-N 3.25Å; I183-K185 PolarHBondContact O-N 2.71Å
184	S	32.6	Very low	39.8	Very low	82 Å²	82	95.2 Å²	95.2	57%	0.573	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-0.7	-178.9	48.9	0	0	0	0	115.2	Q180 L181 S182	Q180-S184 PolarHBondContact O-OG 2.96Å; L181-S184 PolarHBondContact O-OG 3.2Å; S182-S184 PolarHBondContact O-N 3.01Å
185	K	33.3	Very low	38.7	Very low	178 Å²	178	95.7 Å²	95.7	77%	0.774	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.7	3.6	-178.7	-66.1	-170.8	177.2	-178.8	0	115.7	S182 I183 S187	S182-K185 PolarHBondContact O-N 2.77Å; I183-K185 VanDerWaalsContact C-N 3.25Å; I183-K185 PolarHBondContact O-N 2.71Å; K185-S187 PolarHBondContact O-N 3.42Å; K185-S187 VanDerWaalsContact O-N 3.08Å
186	G	32.7	Very low	38.4	Very low	61 Å²	61	96.8 Å²	96.8	63%	0.629	56%	0.56	S	S	*	*			trans	-76.6	87.6	-178.4	0	0	0	0	0	114.1	S182	S182-G186 PolarHBondContact O-N 3.41Å
187	S	38.1	Very low	39	Very low	111 Å²	111	97.6 Å²	97.6	78%	0.776	57%	0.565	S	S	*	*			trans	-77.6	138	170.6	-173.5	0	0	0	0	112.4	K185 S189	K185-S187 PolarHBondContact O-N 3.42Å; K185-S187 VanDerWaalsContact O-N 3.08Å; S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 3.23Å
188	G	34.4	Very low	40.7	Very low	88 Å²	88	91.3 Å²	91.3	91%	0.907	54%	0.539	S	S	*	.	S	Bend	trans	68.5	-10.6	151.8	0	0	0	0	0	119.8
189	S	31.2	Very low	42.9	Very low	98 Å²	98	88 Å²	88	69%	0.685	53%	0.527	S	S	*	.	S	Bend	trans	-101.5	150.3	178.3	52.7	0	0	0	0	111.8	S187	S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 3.23Å
190	K	29	Very low	45.2	Very low	196 Å²	196	86.3 Å²	86.3	85%	0.852	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-50.1	137.7	-172.3	-65.7	179.4	179.8	179	0	111.2
191	P	32.7	Very low	47.5	Very low	102 Å²	102	82.5 Å²	82.5	66%	0.662	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-57.1	139	175.3	25.4	-33.9	0	0	0	109.7
192	P	36.6	Very low	50.3	Low	93 Å²	93	77.9 Å²	77.9	60%	0.604	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-59.6	166.6	163.5	30.3	-35.2	0	0	0	109.1	M194	P192-M194 VanDerWaalsContact C-N 3.27Å; P192-M194 WeakPolarHBondContact O-CA 3.28Å; P192-M194 PolarHBondContact O-N 2.91Å
193	E	38.7	Very low	52.9	Low	163 Å²	163	75 Å²	75	76%	0.762	46%	0.459	S	S	*	.			trans	-59.8	81	-171.1	-66.4	166	136	0	0	113.2	G195	E193-G195 PolarHBondContact O-N 3.5Å
194	M	38.7	Very low	55.2	Low	106 Å²	106	71.1 Å²	71.1	52%	0.522	44%	0.439	S	S	.	.	H	α-helix	trans	-70.3	-24	-164.5	-147.5	74.8	168.2	0	0	112.2	P192	P192-M194 VanDerWaalsContact C-N 3.27Å; P192-M194 WeakPolarHBondContact O-CA 3.28Å; P192-M194 PolarHBondContact O-N 2.91Å
195	G	37	Very low	57.7	Low	23 Å²	23	69 Å²	69	24%	0.237	43%	0.425	C	S	.	.	H	α-helix	trans	-68.6	-46.4	-173.9	0	0	0	0	0	115	E193 T197 V198	E193-G195 PolarHBondContact O-N 3.5Å; G195-T197 PolarHBondContact O-N 3.19Å; G195-V198 WeakPolarHBondContact O-CG2 3.5Å
196	G	50.9	Low	60	Low	41 Å²	41	62.3 Å²	62.3	42%	0.423	40%	0.396	S	S	.	.	H	α-helix	trans	-66.9	-22.2	-179.4	0	0	0	0	0	113.5	Y200	G196-Y200 WeakPolarHBondContact O-CD2 3.28Å; G196-Y200 VanDerWaalsContact O-CE2 3.23Å; G196-Y200 WeakPolarHBondContact O-CE2 3.41Å
197	T	66.6	Low	61.8	Low	29 Å²	29	64 Å²	64	18%	0.178	39%	0.387	C	S	.	.	H	α-helix	trans	-89.3	-31.9	-173.6	-55	0	0	0	0	113.2	G195 I199 M201	G195-T197 PolarHBondContact O-N 3.19Å; T197-I199 VanDerWaalsContact C-N 3.29Å; T197-I199 PolarHBondContact O-N 3.34Å; T197-M201 HydrophobicContact CG2-CE 4.2Å
198	V	83.8	Confident	62.7	Low	14 Å²	14	65 Å²	65	9%	0.085	39%	0.391	C	S	.	.	H	α-helix	trans	-68.2	-26.2	-178.3	-66.1	0	0	0	0	113.4	G195 Y200 M201 Y206 P243	G195-V198 WeakPolarHBondContact O-CG2 3.5Å; V198-Y200 VanDerWaalsContact C-N 3.28Å; V198-Y200 PolarHBondContact O-N 3.28Å; V198-M201 WeakPolarHBondContact O-CB 3.34Å; V198-M201 PolarHBondContact O-N 2.94Å; V198-M201 VanDerWaalsContact O-N 3.08Å; V198-Y206 HydrophobicContact CB-CE1 4.14Å; V198-Y206 HydrophobicContact CG1-CE1 4.15Å; V198-Y206 PolarHBondContact O-OH 3.43Å; V198-P243 HydrophobicContact CG2-CB 3.94Å
199	I	91.3	Very high	63.8	Low	17 Å²	17	65.3 Å²	65.3	9%	0.087	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.9	-179.4	-72.5	166	0	0	0	112.4	T197 I225 P236 I246	T197-I199 VanDerWaalsContact C-N 3.29Å; T197-I199 PolarHBondContact O-N 3.34Å; I199-I225 HydrophobicContact CG2-CG2 3.83Å; I199-P236 HydrophobicContact CG2-CB 3.68Å; I199-P236 HydrophobicContact CG2-CG 3.83Å; I199-I246 HydrophobicContact CD1-CD1 4.25Å; I199-I246 HydrophobicContact CG1-CD1 3.82Å; I199-I246 HydrophobicContact CG1-CG2 4.5Å
200	Y	93	Very high	64.8	Low	13 Å²	13	66.6 Å²	66.6	5%	0.051	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1.7	-178.2	-47.2	-89.2	0	0	0	113.1	L155 K156 T157 G196 V198 S222 I225 I226 E229	L155-Y200 WeakPolarHBondContact O-CB 3.47Å; K156-Y200 HydrophobicContact CB-CD1 3.97Å; K156-Y200 HydrophobicContact CB-CD2 3.5Å; K156-Y200 HydrophobicContact CB-CE1 4.02Å; K156-Y200 HydrophobicContact CB-CE2 3.58Å; K156-Y200 HydrophobicContact CB-CG 3.71Å; T157-Y200 PolarHBondContact OG1-OH 3.27Å; T157-Y200 VanDerWaalsContact OG1-OH 3.08Å; G196-Y200 WeakPolarHBondContact O-CD2 3.28Å; G196-Y200 VanDerWaalsContact O-CE2 3.23Å; G196-Y200 WeakPolarHBondContact O-CE2 3.41Å; V198-Y200 VanDerWaalsContact C-N 3.28Å; V198-Y200 PolarHBondContact O-N 3.28Å; Y200-S222 WeakPolarHBondContact O-CA 3.37Å; Y200-S222 WeakPolarHBondContact O-CB 3.35Å; Y200-S222 PolarHBondContact O-OG 3.13Å; Y200-I225 HydrophobicContact CD1-CB 4.18Å; Y200-I225 HydrophobicContact CD1-CG2 3.77Å; Y200-I225 HydrophobicContact CE1-CG2 4.01Å; Y200-I226 HydrophobicContact CD1-CG1 3.97Å; Y200-I226 HydrophobicContact CE1-CG1 3.97Å; Y200-E229 VanDerWaalsContact CE1-OE2 3.27Å; Y200-E229 WeakPolarHBondContact CE1-OE2 3.47Å; Y200-E229 PolarHBondContact OH-OE2 3.3Å
201	M	90.8	Very high	66	Low	34 Å²	34	60.8 Å²	60.8	17%	0.167	36%	0.356	C	S	.	.	S	Bend	trans	-92.2	128.9	-172.9	-173.2	170.6	-69.6	0	0	110.8	T197 V198 A205 Y206 Y221	T197-M201 HydrophobicContact CG2-CE 4.2Å; V198-M201 WeakPolarHBondContact O-CB 3.34Å; V198-M201 PolarHBondContact O-N 2.94Å; V198-M201 VanDerWaalsContact O-N 3.08Å; M201-A205 HydrophobicContact CG-CB 3.65Å; M201-A205 HydrophobicContact SD-CB 4.09Å; M201-Y206 HydrophobicContact CB-CE1 3.88Å; M201-Y206 HydrophobicContact CG-CD1 4.13Å; M201-Y206 HydrophobicContact CG-CE1 3.76Å; M201-Y206 PolarHBondContact O-OH 3.45Å; M201-Y206 HydrophobicContact SD-CD1 3.69Å; M201-Y206 HydrophobicContact SD-CE1 3.69Å; M201-Y221 VanDerWaalsContact C-CE1 3.5Å; M201-Y221 WeakPolarHBondContact O-CE1 3.48Å
202	P	91.7	Very high	67.3	Low	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.366	C	S	.	.			trans	-70.4	152.4	178.9	31	-37.4	0	0	0	111.8	E204 A205 H218 Y221	P202-E204 VanDerWaalsContact C-N 3.26Å; P202-E204 WeakPolarHBondContact CB-OE1 3.26Å; P202-E204 PolarHBondContact O-N 2.93Å; P202-E204 VanDerWaalsContact O-N 3.15Å; P202-A205 HydrophobicContact CG-CB 3.93Å; P202-A205 WeakPolarHBondContact O-CB 3.44Å; P202-A205 PolarHBondContact O-N 3.48Å; P202-H218 HydrophobicContact CG-CB 4.34Å; P202-Y221 HydrophobicContact CB-CD1 3.92Å; P202-Y221 HydrophobicContact CB-CD2 3.86Å; P202-Y221 HydrophobicContact CB-CE2 4.46Å; P202-Y221 HydrophobicContact CB-CG 3.58Å
203	P	90.1	Very high	68.3	Low	14 Å²	14	71.3 Å²	71.3	9%	0.091	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.6	-173.6	19.9	-31.9	0	0	0	114.3	A205 Y206 V250 L251	P203-A205 VanDerWaalsContact C-N 3.32Å; P203-A205 PolarHBondContact O-N 2.78Å; P203-Y206 VanDerWaalsContact O-CD2 3.28Å; P203-Y206 WeakPolarHBondContact O-CD2 3.5Å; P203-Y206 PolarHBondContact O-N 2.84Å; P203-V250 HydrophobicContact CB-CG1 4.14Å; P203-L251 HydrophobicContact CB-CD2 4.1Å
204	E	86.9	Confident	69.4	Low	31 Å²	31	64.2 Å²	64.2	15%	0.145	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-71.8	-22.2	178.9	69.1	-78.8	-176.5	0	0	114	P202 Y206 E207 A214 P285 R288	P202-E204 VanDerWaalsContact C-N 3.26Å; P202-E204 WeakPolarHBondContact CB-OE1 3.26Å; P202-E204 PolarHBondContact O-N 2.93Å; P202-E204 VanDerWaalsContact O-N 3.15Å; E204-Y206 PolarHBondContact O-N 3.34Å; E204-E207 PolarHBondContact O-N 3.43Å; E204-A214 HydrophobicContact CG-CB 3.78Å; E204-P285 HydrophobicContact CG-CG 4.22Å; E204-R288 IonicContact OE1-CZ 3.97Å; E204-R288 IonicContact OE1-NH1 3.89Å; E204-R288 PolarHBondContact OE1-NH1 3.19Å; E204-R288 IonicContact OE1-NH2 2.62Å; E204-R288 PolarHBondContact OE1-NH2 3.21Å; E204-R288 VanDerWaalsContact OE1-NH2 3.16Å; E204-R288 IonicContact OE2-CZ 2.7Å; E204-R288 IonicContact OE2-NH1 2.62Å; E204-R288 IonicContact OE2-NH2 3.32Å; E204-R288 PolarHBondContact OE2-NH2 3.03Å
205	A	83.6	Confident	71.1	Confident	36 Å²	36	61.4 Å²	61.4	30%	0.298	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-75.7	-13.6	177.8	0	0	0	0	0	113.1	M201 P202 P203 E207	M201-A205 HydrophobicContact CG-CB 3.65Å; M201-A205 HydrophobicContact SD-CB 4.09Å; P202-A205 HydrophobicContact CG-CB 3.93Å; P202-A205 WeakPolarHBondContact O-CB 3.44Å; P202-A205 PolarHBondContact O-N 3.48Å; P203-A205 VanDerWaalsContact C-N 3.32Å; P203-A205 PolarHBondContact O-N 2.78Å; A205-E207 VanDerWaalsContact C-N 3.25Å; A205-E207 PolarHBondContact O-N 2.89Å
206	Y	81.4	Confident	73.1	Confident	39 Å²	39	62.7 Å²	62.7	15%	0.153	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-73.1	-16.2	170	-53.7	-47	0	0	0	113.1	V198 M201 P203 E204 M247 V250 L251	V198-Y206 HydrophobicContact CB-CE1 4.14Å; V198-Y206 HydrophobicContact CG1-CE1 4.15Å; V198-Y206 PolarHBondContact O-OH 3.43Å; M201-Y206 HydrophobicContact CB-CE1 3.88Å; M201-Y206 HydrophobicContact CG-CD1 4.13Å; M201-Y206 HydrophobicContact CG-CE1 3.76Å; M201-Y206 PolarHBondContact O-OH 3.45Å; M201-Y206 HydrophobicContact SD-CD1 3.69Å; M201-Y206 HydrophobicContact SD-CE1 3.69Å; P203-Y206 VanDerWaalsContact O-CD2 3.28Å; P203-Y206 WeakPolarHBondContact O-CD2 3.5Å; P203-Y206 PolarHBondContact O-N 2.84Å; E204-Y206 PolarHBondContact O-N 3.34Å; Y206-M247 HydrophobicContact CD1-CG 3.72Å; Y206-M247 HydrophobicContact CD1-SD 3.86Å; Y206-M247 HydrophobicContact CD2-CG 3.6Å; Y206-M247 HydrophobicContact CE1-CG 3.83Å; Y206-M247 HydrophobicContact CE1-SD 4.36Å; Y206-M247 HydrophobicContact CE2-CB 4.45Å; Y206-M247 HydrophobicContact CE2-CG 3.73Å; Y206-M247 HydrophobicContact CG-CG 3.61Å; Y206-M247 HydrophobicContact CG-SD 3.95Å; Y206-V250 HydrophobicContact CE2-CB 4.23Å; Y206-V250 HydrophobicContact CE2-CG1 3.86Å; Y206-L251 HydrophobicContact CD2-CD1 4.23Å; Y206-L251 HydrophobicContact CD2-CD2 4Å; Y206-L251 HydrophobicContact CD2-CG 3.87Å; Y206-L251 HydrophobicContact CE2-CG 4.41Å
207	E	71.7	Confident	75	Confident	96 Å²	96	63 Å²	63	45%	0.449	33%	0.325	S	S	.	.	S	Bend	trans	-126.1	88.2	-177.3	-166.5	179.4	-153	0	0	110.7	E204 A205 S209 K210	E204-E207 PolarHBondContact O-N 3.43Å; A205-E207 VanDerWaalsContact C-N 3.25Å; A205-E207 PolarHBondContact O-N 2.89Å; E207-S209 PolarHBondContact O-N 3.41Å; E207-K210 VanDerWaalsContact OE2-CE 3.23Å; E207-K210 WeakPolarHBondContact OE2-CE 3.38Å; E207-K210 IonicContact OE2-NZ 2.7Å; E207-K210 PolarHBondContact OE2-NZ 3Å
208	P	57.5	Low	76.2	Confident	131 Å²	131	62.6 Å²	62.6	85%	0.851	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	7.5	-168.8	-25.5	35.9	0	0	0	117.5
209	S	55.8	Low	76.7	Confident	95 Å²	95	61.9 Å²	61.9	66%	0.664	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.7	178.6	61.1	0	0	0	0	113.9	E207	E207-S209 PolarHBondContact O-N 3.41Å
210	K	53.5	Low	77	Confident	126 Å²	126	61.3 Å²	61.3	55%	0.548	31%	0.314	S	S	.	.	S	Bend	trans	-108.3	123.1	-167.1	-75.7	169.1	175.1	166.4	0	114.6	E207	E207-K210 VanDerWaalsContact OE2-CE 3.23Å; E207-K210 WeakPolarHBondContact OE2-CE 3.38Å; E207-K210 IonicContact OE2-NZ 2.7Å; E207-K210 PolarHBondContact OE2-NZ 3Å
211	S	54	Low	77.2	Confident	73 Å²	73	60.7 Å²	60.7	51%	0.51	31%	0.312	S	S	.	.			trans	22.1	113.9	158	-167.9	0	0	0	0	120.1	R213 A214	S211-R213 PolarHBondContact O-N 2.91Å; S211-R213 PolarHBondContact OG-N 3.11Å; S211-A214 PolarHBondContact O-N 3.49Å
212	R	59.8	Low	77.5	Confident	226 Å²	226	59.1 Å²	59.1	85%	0.853	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-5.6	165.9	-66.5	-171.9	-67.5	-168.8	-1.9	115.9	D215	R212-D215 WeakPolarHBondContact CA-OD2 3.41Å
213	R	57.8	Low	77.8	Confident	191 Å²	191	59.1 Å²	59.1	72%	0.721	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.9	172.1	-65.3	-173.6	-176.9	169.7	1.2	112.1	S211 D215	S211-R213 PolarHBondContact O-N 2.91Å; S211-R213 PolarHBondContact OG-N 3.11Å; R213-D215 VanDerWaalsContact C-N 3.27Å; R213-D215 PolarHBondContact O-N 3.31Å
214	A	62.3	Low	78.2	Confident	13 Å²	13	58.5 Å²	58.5	11%	0.107	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-69.3	-26	179	0	0	0	0	0	112.6	E204 S211 A216 K217 H218 P285	E204-A214 HydrophobicContact CG-CB 3.78Å; S211-A214 PolarHBondContact O-N 3.49Å; A214-A216 PolarHBondContact O-N 2.77Å; A214-A216 VanDerWaalsContact O-N 3.16Å; A214-K217 CarbonylContact O-C 3.59Å; A214-K217 WeakPolarHBondContact O-CA 3.37Å; A214-K217 WeakPolarHBondContact O-CB 3.33Å; A214-K217 PolarHBondContact O-N 2.76Å; A214-H218 PolarHBondContact O-N 3.12Å; A214-H218 VanDerWaalsContact O-N 3.14Å; A214-P285 HydrophobicContact CB-CB 4.19Å; A214-P285 HydrophobicContact CB-CG 4.05Å
215	D	73.3	Confident	78.7	Confident	47 Å²	47	57 Å²	57	25%	0.251	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-51.4	-40.3	-179.8	-67	-21.6	0	0	0	113	L151 H153 R212 R213 K217 H218	L151-D215 HydrophobicContact CD1-CB 4.01Å; H153-D215 PolarHBondContact NE2-O 3.01Å; R212-D215 WeakPolarHBondContact CA-OD2 3.41Å; R213-D215 VanDerWaalsContact C-N 3.27Å; R213-D215 PolarHBondContact O-N 3.31Å; D215-K217 VanDerWaalsContact C-N 3.26Å; D215-K217 PolarHBondContact O-N 2.98Å; D215-H218 WeakPolarHBondContact O-CB 3.45Å; D215-H218 PolarHBondContact O-N 2.8Å
216	A	79.6	Confident	79.4	Confident	50 Å²	50	55.3 Å²	55.3	41%	0.413	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-72.7	-18.9	179.1	0	0	0	0	0	113.5	H144 A214	H144-A216 PolarHBondContact CE1-O 2.92Å; A214-A216 PolarHBondContact O-N 2.77Å; A214-A216 VanDerWaalsContact O-N 3.16Å
217	K	91.1	Very high	80.2	Confident	49 Å²	49	53.5 Å²	53.5	21%	0.213	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-101.8	2.8	-179	-57.5	-71.6	-164.5	126.4	0	112.3	A214 D215 P285 D286 R288	A214-K217 CarbonylContact O-C 3.59Å; A214-K217 WeakPolarHBondContact O-CA 3.37Å; A214-K217 WeakPolarHBondContact O-CB 3.33Å; A214-K217 PolarHBondContact O-N 2.76Å; D215-K217 VanDerWaalsContact C-N 3.26Å; D215-K217 PolarHBondContact O-N 2.98Å; K217-P285 HydrophobicContact CB-CB 3.82Å; K217-P285 VanDerWaalsContact CD-O 3.23Å; K217-P285 WeakPolarHBondContact CD-O 3.24Å; K217-P285 WeakPolarHBondContact CE-O 3.29Å; K217-P285 HydrophobicContact CG-CB 4.14Å; K217-P285 VanDerWaalsContact CG-O 3.22Å; K217-P285 WeakPolarHBondContact CG-O 3.13Å; K217-P285 PolarHBondContact NZ-O 2.99Å; K217-D286 PolarHBondContact NZ-O 3.32Å; K217-R288 HydrophobicContact CD-CB 4.39Å; K217-R288 PolarHBondContact NZ-O 2.9Å; K217-R288 PolarHBondContact O-NH1 3.28Å
218	H	91.7	Very high	81.5	Confident	19 Å²	19	49.3 Å²	49.3	9%	0.088	25%	0.252	C	S	.	.	H	α-helix	trans	-69.4	-54.7	178.5	-172.2	124	0	0	0	110.9	H153 P202 A214 D215 M220 Y221 S222	H153-H218 AromaticContact CD2-CG 3.8Å; P202-H218 HydrophobicContact CG-CB 4.34Å; A214-H218 PolarHBondContact O-N 3.12Å; A214-H218 VanDerWaalsContact O-N 3.14Å; D215-H218 WeakPolarHBondContact O-CB 3.45Å; D215-H218 PolarHBondContact O-N 2.8Å; H218-M220 PolarHBondContact O-N 3Å; H218-M220 VanDerWaalsContact O-N 3.14Å; H218-Y221 WeakPolarHBondContact O-CB 3.37Å; H218-Y221 PolarHBondContact O-N 2.73Å; H218-S222 PolarHBondContact O-N 3.18Å; H218-S222 PolarHBondContact O-OG 2.79Å
219	D	94.3	Very high	83.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-28.9	-175.6	-58.7	-20.5	0	0	0	112.3	V140 H144 H152 H153 S222 Y223 F291	V140-D219 HydrophobicContact CG1-CB 4.04Å; H144-D219 IonicContact CD2-OD2 3.7Å; H144-D219 IonicContact CE1-OD2 2.71Å; H144-D219 IonicContact NE2-OD2 2.63Å; H144-D219 PolarHBondContact NE2-OD2 3.1Å; H152-D219 PolarHBondContact N-OD1 2.84Å; H152-D219 PolarHBondContact N-OD2 3.29Å; H153-D219 IonicContact CD2-OD1 3.16Å; H153-D219 PolarHBondContact N-OD1 3.48Å; D219-S222 PolarHBondContact O-N 3.09Å; D219-Y223 VanDerWaalsContact O-CB 3.3Å; D219-Y223 WeakPolarHBondContact O-CB 3.44Å; D219-Y223 PolarHBondContact O-N 3Å; D219-F291 HydrophobicContact CB-CE2 3.97Å; D219-F291 HydrophobicContact CB-CZ 4.19Å
220	M	97	Very high	85.5	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.02	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-39.3	175.2	-178.7	53	60.8	0	0	112.8	H218 Y223 A224 R288 Q289 F291 C294	H218-M220 PolarHBondContact O-N 3Å; H218-M220 VanDerWaalsContact O-N 3.14Å; M220-Y223 PolarHBondContact O-N 3.31Å; M220-Y223 HydrophobicContact SD-CD1 4.09Å; M220-A224 PolarHBondContact O-N 2.88Å; M220-R288 HydrophobicContact CG-CB 4.11Å; M220-Q289 HydrophobicContact CE-CG 4.35Å; M220-Q289 WeakPolarHBondContact CG-O 3.46Å; M220-Q289 HydrophobicContact SD-CG 4.03Å; M220-F291 HydrophobicContact CB-CE2 4.25Å; M220-F291 HydrophobicContact CB-CZ 4.5Å; M220-F291 HydrophobicContact CE-CB 4.31Å; M220-F291 HydrophobicContact CE-CD1 3.7Å; M220-F291 HydrophobicContact CE-CD2 3.66Å; M220-F291 HydrophobicContact CE-CE1 3.82Å; M220-F291 HydrophobicContact CE-CE2 3.75Å; M220-F291 HydrophobicContact CE-CG 3.62Å; M220-F291 HydrophobicContact CE-CZ 3.84Å; M220-C294 VanDerWaalsContact CE-SG 3.53Å
221	Y	96.8	Very high	87.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-47	173.6	-179.9	-78.3	0	0	0	110.3	M201 P202 H218 Y223 A224 I225 V250 G280 W281	M201-Y221 VanDerWaalsContact C-CE1 3.5Å; M201-Y221 WeakPolarHBondContact O-CE1 3.48Å; P202-Y221 HydrophobicContact CB-CD1 3.92Å; P202-Y221 HydrophobicContact CB-CD2 3.86Å; P202-Y221 HydrophobicContact CB-CE2 4.46Å; P202-Y221 HydrophobicContact CB-CG 3.58Å; H218-Y221 WeakPolarHBondContact O-CB 3.37Å; H218-Y221 PolarHBondContact O-N 2.73Å; Y221-Y223 VanDerWaalsContact C-N 3.31Å; Y221-Y223 PolarHBondContact O-N 3.35Å; Y221-A224 WeakPolarHBondContact O-CB 3.39Å; Y221-A224 PolarHBondContact O-N 2.83Å; Y221-I225 HydrophobicContact CD1-CG1 4.26Å; Y221-I225 HydrophobicContact CE1-CD1 4.28Å; Y221-I225 HydrophobicContact CE1-CG1 3.84Å; Y221-I225 PolarHBondContact O-N 3.14Å; Y221-V250 VanDerWaalsContact OH-CG1 3.28Å; Y221-V250 WeakPolarHBondContact OH-CG1 3.28Å; Y221-G280 WeakPolarHBondContact CA-O 3.48Å; Y221-W281 HydrophobicContact CD2-CB 3.8Å; Y221-W281 HydrophobicContact CE2-CB 3.79Å; Y221-W281 HydrophobicContact CG-CB 4.48Å
222	S	96.8	Very high	89.7	Confident	1 Å²	1	30 Å²	30	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-59.2	-43	176.9	-50.7	0	0	0	0	111.7	L155 Y200 H218 D219 I225 I226	L155-S222 WeakPolarHBondContact O-CB 3.47Å; Y200-S222 WeakPolarHBondContact O-CA 3.37Å; Y200-S222 WeakPolarHBondContact O-CB 3.35Å; Y200-S222 PolarHBondContact O-OG 3.13Å; H218-S222 PolarHBondContact O-N 3.18Å; H218-S222 PolarHBondContact O-OG 2.79Å; D219-S222 PolarHBondContact O-N 3.09Å; S222-I225 PolarHBondContact O-N 3.22Å; S222-I226 WeakPolarHBondContact O-CG1 3.26Å; S222-I226 PolarHBondContact O-N 3.44Å; S222-I226 VanDerWaalsContact O-N 3.12Å
223	Y	98.3	Very high	91.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-40.4	175.6	178.5	-110	0	0	0	113	L133 I136 A137 D219 M220 Y221 I225 I226 M227 F291 C294 L298	L133-Y223 HydrophobicContact CD2-CE2 4.45Å; L133-Y223 PolarHBondContact O-OH 2.92Å; I136-Y223 HydrophobicContact CB-CD2 4.35Å; I136-Y223 HydrophobicContact CB-CE2 3.94Å; I136-Y223 HydrophobicContact CG2-CD2 3.61Å; I136-Y223 HydrophobicContact CG2-CE2 3.72Å; A137-Y223 HydrophobicContact CB-CE2 4.38Å; D219-Y223 VanDerWaalsContact O-CB 3.3Å; D219-Y223 WeakPolarHBondContact O-CB 3.44Å; D219-Y223 PolarHBondContact O-N 3Å; M220-Y223 PolarHBondContact O-N 3.31Å; M220-Y223 HydrophobicContact SD-CD1 4.09Å; Y221-Y223 VanDerWaalsContact C-N 3.31Å; Y221-Y223 PolarHBondContact O-N 3.35Å; Y223-I225 VanDerWaalsContact C-N 3.33Å; Y223-I225 PolarHBondContact O-N 2.71Å; Y223-I226 CarbonylContact O-C 3.47Å; Y223-I226 WeakPolarHBondContact O-CB 3.45Å; Y223-I226 PolarHBondContact O-N 2.95Å; Y223-I226 VanDerWaalsContact O-N 3.14Å; Y223-M227 HydrophobicContact CD1-CG 4.13Å; Y223-M227 HydrophobicContact CD1-SD 4.01Å; Y223-M227 HydrophobicContact CE1-CG 3.71Å; Y223-M227 HydrophobicContact CE1-SD 3.43Å; Y223-M227 WeakPolarHBondContact CE1-SD 3.42Å; Y223-M227 HydrophobicContact CE2-CG 4.3Å; Y223-M227 WeakPolarHBondContact O-CG 3.43Å; Y223-M227 PolarHBondContact O-N 2.84Å; Y223-F291 AromaticContact CD1-CE1 3.8Å; Y223-F291 HydrophobicContact CD1-CE1 3.8Å; Y223-F291 HydrophobicContact CD2-CE1 4.1Å; Y223-F291 HydrophobicContact CE1-CE1 4.45Å; Y223-F291 AromaticContact CG-CE1 3.6Å; Y223-F291 HydrophobicContact CG-CE1 3.6Å; Y223-F291 HydrophobicContact CG-CZ 4.18Å; Y223-C294 HydrophobicContact CE1-CB 4.27Å; Y223-L298 WeakPolarHBondContact OH-CD1 3.43Å
224	A	98.4	Very high	93.3	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-37.7	176.5	0	0	0	0	0	113.2	M220 Y221 M227 W228 M277 W281	M220-A224 PolarHBondContact O-N 2.88Å; Y221-A224 WeakPolarHBondContact O-CB 3.39Å; Y221-A224 PolarHBondContact O-N 2.83Å; A224-M227 WeakPolarHBondContact O-CB 3.46Å; A224-M227 PolarHBondContact O-N 3.1Å; A224-W228 PolarHBondContact O-N 3.4Å; A224-M277 HydrophobicContact CB-CB 4.41Å; A224-M277 WeakPolarHBondContact CB-O 3.48Å; A224-W281 HydrophobicContact CB-CB 3.95Å; A224-W281 HydrophobicContact CB-CD2 4.38Å; A224-W281 HydrophobicContact CB-CE3 3.92Å; A224-W281 HydrophobicContact CB-CG 4.43Å
225	I	98.3	Very high	94.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-42.5	172.9	-61	-68.1	0	0	0	110.4	I199 Y200 Y221 S222 Y223 M227 W228 E229 P236 P256 W281	I199-I225 HydrophobicContact CG2-CG2 3.83Å; Y200-I225 HydrophobicContact CD1-CB 4.18Å; Y200-I225 HydrophobicContact CD1-CG2 3.77Å; Y200-I225 HydrophobicContact CE1-CG2 4.01Å; Y221-I225 HydrophobicContact CD1-CG1 4.26Å; Y221-I225 HydrophobicContact CE1-CD1 4.28Å; Y221-I225 HydrophobicContact CE1-CG1 3.84Å; Y221-I225 PolarHBondContact O-N 3.14Å; S222-I225 PolarHBondContact O-N 3.22Å; Y223-I225 VanDerWaalsContact C-N 3.33Å; Y223-I225 PolarHBondContact O-N 2.71Å; I225-M227 PolarHBondContact O-N 2.7Å; I225-W228 PolarHBondContact O-N 3.11Å; I225-E229 WeakPolarHBondContact O-CB 3.41Å; I225-E229 PolarHBondContact O-N 2.98Å; I225-P236 HydrophobicContact CG2-CB 4.04Å; I225-P236 HydrophobicContact CG2-CG 3.8Å; I225-P256 HydrophobicContact CD1-CG 3.92Å; I225-W281 HydrophobicContact CD1-CE3 3.79Å; I225-W281 HydrophobicContact CD1-CZ3 4.21Å; I225-W281 HydrophobicContact CG1-CE3 4.48Å
226	I	98.6	Very high	95.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.9	-38.5	174.6	-63.3	167.4	0	0	0	111.7	L111 L133 I136 L155 T157 Y200 S222 Y223 W228 E229 V230	L111-I226 HydrophobicContact CD2-CG2 4.18Å; L133-I226 HydrophobicContact CD2-CG2 4.47Å; I136-I226 HydrophobicContact CD1-CG2 4.08Å; L155-I226 HydrophobicContact CD2-CD1 3.97Å; L155-I226 HydrophobicContact CG-CD1 3.76Å; T157-I226 HydrophobicContact CG2-CB 4.45Å; T157-I226 HydrophobicContact CG2-CG1 4.09Å; T157-I226 HydrophobicContact CG2-CG2 3.95Å; Y200-I226 HydrophobicContact CD1-CG1 3.97Å; Y200-I226 HydrophobicContact CE1-CG1 3.97Å; S222-I226 WeakPolarHBondContact O-CG1 3.26Å; S222-I226 PolarHBondContact O-N 3.44Å; S222-I226 VanDerWaalsContact O-N 3.12Å; Y223-I226 CarbonylContact O-C 3.47Å; Y223-I226 WeakPolarHBondContact O-CB 3.45Å; Y223-I226 PolarHBondContact O-N 2.95Å; Y223-I226 VanDerWaalsContact O-N 3.14Å; I226-W228 PolarHBondContact O-N 2.77Å; I226-E229 PolarHBondContact O-N 2.91Å; I226-V230 HydrophobicContact CG2-CG2 4.15Å; I226-V230 WeakPolarHBondContact O-CB 3.39Å; I226-V230 VanDerWaalsContact O-CG2 3.29Å; I226-V230 WeakPolarHBondContact O-CG2 3.3Å; I226-V230 PolarHBondContact O-N 3.35Å
227	M	98.6	Very high	96.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-57.5	-47.9	174.1	-73.3	-173.1	71.7	0	0	111.4	L133 Y223 A224 I225 L231 L273 L276 M277	L133-M227 HydrophobicContact CD1-CB 4.48Å; L133-M227 HydrophobicContact CD1-CG 4.28Å; L133-M227 HydrophobicContact CD2-CB 4.45Å; L133-M227 HydrophobicContact CD2-CG 4.05Å; Y223-M227 HydrophobicContact CD1-CG 4.13Å; Y223-M227 HydrophobicContact CD1-SD 4.01Å; Y223-M227 HydrophobicContact CE1-CG 3.71Å; Y223-M227 HydrophobicContact CE1-SD 3.43Å; Y223-M227 WeakPolarHBondContact CE1-SD 3.42Å; Y223-M227 HydrophobicContact CE2-CG 4.3Å; Y223-M227 WeakPolarHBondContact O-CG 3.43Å; Y223-M227 PolarHBondContact O-N 2.84Å; A224-M227 WeakPolarHBondContact O-CB 3.46Å; A224-M227 PolarHBondContact O-N 3.1Å; I225-M227 PolarHBondContact O-N 2.7Å; M227-L231 WeakPolarHBondContact O-CB 3.49Å; M227-L231 WeakPolarHBondContact O-CD1 3.22Å; M227-L231 WeakPolarHBondContact O-CG 3.43Å; M227-L231 PolarHBondContact O-N 3.42Å; M227-L231 VanDerWaalsContact O-N 3.13Å; M227-L273 HydrophobicContact CE-CD2 3.85Å; M227-L276 HydrophobicContact CE-CB 3.71Å; M227-L276 HydrophobicContact CE-CD1 4.1Å; M227-L276 HydrophobicContact SD-CB 4.19Å; M227-M277 HydrophobicContact CB-CB 4.19Å; M227-M277 HydrophobicContact SD-CB 4.46Å
228	W	98.6	Very high	96	Very high	9 Å²	9	19.4 Å²	19.4	3%	0.034	9%	0.089	C	C	.	.	H	α-helix	trans	-63.3	-45.1	176.7	-178.1	95.2	0	0	0	111.8	A224 I225 I226 V230 L231 A232 R234 P236 P256 E257 C262 M277 W281	A224-W228 PolarHBondContact O-N 3.4Å; I225-W228 PolarHBondContact O-N 3.11Å; I226-W228 PolarHBondContact O-N 2.77Å; W228-V230 PolarHBondContact O-N 2.91Å; W228-L231 PolarHBondContact O-N 3.47Å; W228-A232 HydrophobicContact CD2-CB 4.19Å; W228-A232 HydrophobicContact CE3-CB 4.25Å; W228-A232 HydrophobicContact CH2-CB 4.14Å; W228-A232 HydrophobicContact CZ2-CB 4.08Å; W228-A232 HydrophobicContact CZ3-CB 4.21Å; W228-A232 VanDerWaalsContact O-CB 3.27Å; W228-A232 WeakPolarHBondContact O-CB 3.45Å; W228-A232 PolarHBondContact O-N 3.02Å; W228-R234 HydrophobicContact CH2-CB 3.82Å; W228-R234 HydrophobicContact CZ3-CB 4.1Å; W228-P236 HydrophobicContact CE3-CB 4.11Å; W228-P236 HydrophobicContact CE3-CG 4.01Å; W228-P236 HydrophobicContact CZ3-CB 3.97Å; W228-P236 HydrophobicContact CZ3-CG 4Å; W228-P256 HydrophobicContact CD2-CB 3.41Å; W228-P256 VanDerWaalsContact CD2-CB 3.41Å; W228-P256 HydrophobicContact CD2-CG 4.26Å; W228-P256 HydrophobicContact CE3-CB 3.89Å; W228-P256 HydrophobicContact CE3-CG 4.43Å; W228-P256 HydrophobicContact CG-CB 3.74Å; W228-P256 HydrophobicContact CG-CG 4.47Å; W228-P256 HydrophobicContact CH2-CB 4.25Å; W228-P256 HydrophobicContact CZ2-CB 3.8Å; W228-P256 HydrophobicContact CZ3-CB 4.29Å; W228-E257 PolarHBondContact NE1-O 3.02Å; W228-C262 HydrophobicContact CZ2-CB 4.12Å; W228-M277 HydrophobicContact CB-SD 3.98Å; W228-M277 HydrophobicContact CG-SD 4.39Å; W228-W281 HydrophobicContact CB-CH2 4.07Å; W228-W281 HydrophobicContact CB-CZ3 3.75Å; W228-W281 AromaticContact CD1-CH2 3.93Å; W228-W281 HydrophobicContact CG-CH2 4.2Å; W228-W281 HydrophobicContact CG-CZ3 4.28Å
229	E	98.3	Very high	95.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.2	-42.5	-179.2	-166.2	-176.2	153.1	0	0	112.3	L115 H116 T157 Y200 I225 I226 R233 R234 P236	L115-E229 HydrophobicContact CD1-CB 4.42Å; L115-E229 HydrophobicContact CD1-CG 3.89Å; H116-E229 IonicContact CD2-OE1 3.55Å; H116-E229 IonicContact CE1-OE1 3.98Å; H116-E229 IonicContact NE2-OE1 3.14Å; H116-E229 PolarHBondContact NE2-OE1 2.97Å; T157-E229 WeakPolarHBondContact CB-OE1 3.4Å; T157-E229 HydrophobicContact CG2-CG 4.36Å; T157-E229 VanDerWaalsContact CG2-OE1 3.24Å; T157-E229 WeakPolarHBondContact CG2-OE1 3.47Å; T157-E229 VanDerWaalsContact CG2-OE2 3.26Å; T157-E229 WeakPolarHBondContact CG2-OE2 3.38Å; T157-E229 PolarHBondContact OG1-OE1 3.25Å; T157-E229 PolarHBondContact OG1-OE2 2.98Å; Y200-E229 VanDerWaalsContact CE1-OE2 3.27Å; Y200-E229 WeakPolarHBondContact CE1-OE2 3.47Å; Y200-E229 PolarHBondContact OH-OE2 3.3Å; I225-E229 WeakPolarHBondContact O-CB 3.41Å; I225-E229 PolarHBondContact O-N 2.98Å; I226-E229 PolarHBondContact O-N 2.91Å; E229-R233 VanDerWaalsContact O-CA 3.24Å; E229-R233 WeakPolarHBondContact O-CA 3.34Å; E229-R233 PolarHBondContact O-N 3.28Å; E229-R234 WeakPolarHBondContact CG-O 3.38Å; E229-P236 HydrophobicContact CB-CG 4.15Å; E229-P236 HydrophobicContact CG-CG 4.15Å
230	V	98.6	Very high	95.4	Very high	1 Å²	1	28 Å²	28	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-41.4	175.7	169.2	0	0	0	0	111.8	L111 L115 R129 L133 I226 W228	L111-V230 HydrophobicContact CD1-CG2 4.38Å; L111-V230 HydrophobicContact CD2-CG2 3.87Å; L111-V230 HydrophobicContact CG-CG2 4.43Å; L115-V230 HydrophobicContact CD1-CB 4.48Å; L115-V230 HydrophobicContact CD1-CG2 3.81Å; L115-V230 HydrophobicContact CD2-CB 4.37Å; L115-V230 HydrophobicContact CD2-CG2 4.19Å; R129-V230 HydrophobicContact CB-CG1 3.74Å; R129-V230 WeakPolarHBondContact CD-O 3.44Å; R129-V230 HydrophobicContact CG-CG1 4.06Å; R129-V230 PolarHBondContact NH1-O 2.96Å; L133-V230 HydrophobicContact CD1-CB 4.47Å; L133-V230 HydrophobicContact CD1-CG1 4.17Å; L133-V230 HydrophobicContact CD2-CB 3.96Å; L133-V230 HydrophobicContact CD2-CG1 4.16Å; L133-V230 HydrophobicContact CD2-CG2 3.85Å; L133-V230 HydrophobicContact CG-CB 4.33Å; L133-V230 HydrophobicContact CG-CG1 4Å; I226-V230 HydrophobicContact CG2-CG2 4.15Å; I226-V230 WeakPolarHBondContact O-CB 3.39Å; I226-V230 VanDerWaalsContact O-CG2 3.29Å; I226-V230 WeakPolarHBondContact O-CG2 3.3Å; I226-V230 PolarHBondContact O-N 3.35Å; W228-V230 PolarHBondContact O-N 2.91Å
231	L	98.2	Very high	94.6	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-75.9	-42.5	-176.9	-67	170.3	0	0	0	111.9	W126 R129 L133 M227 W228 L263 I267 L273 M277	W126-L231 HydrophobicContact CE3-CD2 4.23Å; W126-L231 HydrophobicContact CZ3-CD2 3.83Å; R129-L231 PolarHBondContact NH1-O 2.77Å; L133-L231 HydrophobicContact CD1-CG 4.38Å; M227-L231 WeakPolarHBondContact O-CB 3.49Å; M227-L231 WeakPolarHBondContact O-CD1 3.22Å; M227-L231 WeakPolarHBondContact O-CG 3.43Å; M227-L231 PolarHBondContact O-N 3.42Å; M227-L231 VanDerWaalsContact O-N 3.13Å; W228-L231 PolarHBondContact O-N 3.47Å; L231-L263 HydrophobicContact CB-CD2 3.77Å; L231-I267 HydrophobicContact CB-CD1 4.31Å; L231-I267 HydrophobicContact CD2-CG2 4.14Å; L231-L273 HydrophobicContact CD1-CB 4Å; L231-L273 HydrophobicContact CD1-CD1 4.14Å; L231-L273 HydrophobicContact CD1-CG 4.46Å; L231-L273 HydrophobicContact CD2-CD1 4.14Å; L231-M277 HydrophobicContact CD1-CE 3.58Å
232	A	97.4	Very high	93.9	Very high	15 Å²	15	37.7 Å²	37.7	12%	0.124	19%	0.191	C	C	.	.	H	α-helix	trans	-76.9	-31.9	178.1	0	0	0	0	0	114	W228 R234 C262 L263	W228-A232 HydrophobicContact CD2-CB 4.19Å; W228-A232 HydrophobicContact CE3-CB 4.25Å; W228-A232 HydrophobicContact CH2-CB 4.14Å; W228-A232 HydrophobicContact CZ2-CB 4.08Å; W228-A232 HydrophobicContact CZ3-CB 4.21Å; W228-A232 VanDerWaalsContact O-CB 3.27Å; W228-A232 WeakPolarHBondContact O-CB 3.45Å; W228-A232 PolarHBondContact O-N 3.02Å; A232-R234 VanDerWaalsContact C-N 3.29Å; A232-R234 HydrophobicContact CB-CB 4.17Å; A232-R234 HydrophobicContact CB-CG 4.31Å; A232-R234 PolarHBondContact O-N 2.94Å; A232-C262 WeakPolarHBondContact CA-O 3.5Å; A232-C262 VanDerWaalsContact CB-O 3.3Å; A232-C262 WeakPolarHBondContact CB-O 3.5Å; A232-L263 HydrophobicContact CB-CD2 4.01Å
233	R	97.1	Very high	93.3	Very high	21 Å²	21	40 Å²	40	8%	0.079	21%	0.205	C	C	.	.			trans	48.3	50.1	-161.3	-61.9	-173.6	73.1	-169.8	10.6	111.8	L114 L115 K118 Y121 P122 E229	L114-R233 PolarHBondContact O-NH2 3.42Å; L115-R233 HydrophobicContact CD2-CG 4.1Å; L115-R233 PolarHBondContact O-NE 3.39Å; L115-R233 PolarHBondContact O-NH2 3.5Å; L115-R233 VanDerWaalsContact O-NH2 3.09Å; K118-R233 WeakPolarHBondContact CE-O 3.46Å; K118-R233 PolarHBondContact NZ-O 3.24Å; Y121-R233 PolarHBondContact O-NH1 2.88Å; Y121-R233 PolarHBondContact O-NH2 3.13Å; P122-R233 PolarHBondContact O-NH1 3.41Å; E229-R233 VanDerWaalsContact O-CA 3.24Å; E229-R233 WeakPolarHBondContact O-CA 3.34Å; E229-R233 PolarHBondContact O-N 3.28Å
234	R	95.3	Very high	92.7	Very high	100 Å²	100	45 Å²	45	38%	0.377	23%	0.23	S	C	.	.	S	Bend	trans	-133	159.1	176.1	-68.3	-172.5	-174.8	170.1	7.7	109.9	W228 E229 A232 D261 C262	W228-R234 HydrophobicContact CH2-CB 3.82Å; W228-R234 HydrophobicContact CZ3-CB 4.1Å; E229-R234 WeakPolarHBondContact CG-O 3.38Å; A232-R234 VanDerWaalsContact C-N 3.29Å; A232-R234 HydrophobicContact CB-CB 4.17Å; A232-R234 HydrophobicContact CB-CG 4.31Å; A232-R234 PolarHBondContact O-N 2.94Å; R234-D261 PolarHBondContact NH1-O 2.92Å; R234-D261 PolarHBondContact NH2-O 3.49Å; R234-C262 PolarHBondContact NH1-SG 2.96Å
235	I	92.8	Very high	92.2	Very high	77 Å²	77	49.2 Å²	49.2	40%	0.395	25%	0.25	S	C	.	.			trans	-76.4	128.4	175.6	-62.6	173.2	0	0	0	107.5	F237 E238	I235-F237 PolarHBondContact O-N 3.01Å; I235-E238 HydrophobicContact CB-CB 4.11Å; I235-E238 HydrophobicContact CB-CG 3.99Å; I235-E238 PolarHBondContact N-OE2 2.93Å; I235-E238 WeakPolarHBondContact O-CB 3.28Å; I235-E238 PolarHBondContact O-N 3.06Å
236	P	92.9	Very high	91.8	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	126.6	178.2	-14.8	28.2	0	0	0	109.6	I199 I225 W228 E229 P256	I199-P236 HydrophobicContact CG2-CB 3.68Å; I199-P236 HydrophobicContact CG2-CG 3.83Å; I225-P236 HydrophobicContact CG2-CB 4.04Å; I225-P236 HydrophobicContact CG2-CG 3.8Å; W228-P236 HydrophobicContact CE3-CB 4.11Å; W228-P236 HydrophobicContact CE3-CG 4.01Å; W228-P236 HydrophobicContact CZ3-CB 3.97Å; W228-P236 HydrophobicContact CZ3-CG 4Å; E229-P236 HydrophobicContact CB-CG 4.15Å; E229-P236 HydrophobicContact CG-CG 4.15Å; P236-P256 HydrophobicContact CB-CG 4.09Å
237	F	91	Very high	91.3	Very high	38 Å²	38	52 Å²	52	17%	0.167	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	37.2	-172.7	-44.1	-82.5	0	0	0	114.8	I235 E239 A240 I246 V250 P256	I235-F237 PolarHBondContact O-N 3.01Å; F237-E239 PolarHBondContact O-N 3.15Å; F237-A240 HydrophobicContact CB-CB 4.13Å; F237-A240 VanDerWaalsContact O-CB 3.29Å; F237-A240 WeakPolarHBondContact O-CB 3.42Å; F237-A240 PolarHBondContact O-N 3.2Å; F237-I246 HydrophobicContact CB-CD1 4.16Å; F237-I246 HydrophobicContact CB-CG1 4.08Å; F237-I246 HydrophobicContact CB-CG2 4.48Å; F237-I246 HydrophobicContact CD2-CG2 3.69Å; F237-I246 HydrophobicContact CE2-CG2 4Å; F237-I246 HydrophobicContact CG-CG2 4.06Å; F237-V250 HydrophobicContact CE1-CG2 4.39Å; F237-V250 HydrophobicContact CE2-CG2 4.13Å; F237-V250 HydrophobicContact CZ-CG2 3.7Å; F237-P256 HydrophobicContact CE2-CG 4.11Å; F237-P256 HydrophobicContact CZ-CG 4.04Å
238	E	87.8	Confident	90.9	Very high	115 Å²	115	57.5 Å²	57.5	54%	0.537	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-35.8	179.8	-157.5	158.5	161.9	0	0	114.5	I235 A240	I235-E238 HydrophobicContact CB-CB 4.11Å; I235-E238 HydrophobicContact CB-CG 3.99Å; I235-E238 PolarHBondContact N-OE2 2.93Å; I235-E238 WeakPolarHBondContact O-CB 3.28Å; I235-E238 PolarHBondContact O-N 3.06Å; E238-A240 VanDerWaalsContact C-N 3.28Å; E238-A240 PolarHBondContact O-N 3.44Å
239	E	86.2	Confident	90.5	Very high	178 Å²	178	59 Å²	59	83%	0.832	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-12	177.8	-56.4	-63.9	165.6	0	0	114.8	F237 T241	F237-E239 PolarHBondContact O-N 3.15Å; E239-T241 PolarHBondContact O-N 3.38Å
240	A	85.8	Confident	90.2	Very high	23 Å²	23	59.1 Å²	59.1	19%	0.19	30%	0.3	C	S	.	.			trans	-88.6	95.5	-172.2	0	0	0	0	0	112.2	F237 E238 N242 I246	F237-A240 HydrophobicContact CB-CB 4.13Å; F237-A240 VanDerWaalsContact O-CB 3.29Å; F237-A240 WeakPolarHBondContact O-CB 3.42Å; F237-A240 PolarHBondContact O-N 3.2Å; E238-A240 VanDerWaalsContact C-N 3.28Å; E238-A240 PolarHBondContact O-N 3.44Å; A240-N242 PolarHBondContact O-N 2.95Å; A240-I246 HydrophobicContact CB-CD1 4.07Å; A240-I246 HydrophobicContact CB-CG1 3.44Å; A240-I246 VanDerWaalsContact CB-CG1 3.44Å
241	T	81.3	Confident	89.8	Confident	138 Å²	138	63.2 Å²	63.2	85%	0.847	32%	0.321	S	S	*	.	S	Bend	trans	-62.6	-14.3	-177.5	61.2	0	0	0	0	115.6	E239	E239-T241 PolarHBondContact O-N 3.38Å
242	N	82	Confident	89.5	Confident	69 Å²	69	73.7 Å²	73.7	37%	0.369	36%	0.361	S	S	.	.	S	Bend	trans	-134.6	130.6	-177.5	-171.2	-41.7	0	0	0	111.7	A240 M244 Q245 I246	A240-N242 PolarHBondContact O-N 2.95Å; N242-M244 PolarHBondContact O-N 2.73Å; N242-M244 VanDerWaalsContact O-N 3.12Å; N242-M244 WeakPolarHBondContact OD1-CB 3.25Å; N242-M244 PolarHBondContact OD1-N 3.03Å; N242-Q245 HydrophobicContact CB-CB 4.3Å; N242-Q245 WeakPolarHBondContact O-CA 3.46Å; N242-Q245 WeakPolarHBondContact O-CB 3.06Å; N242-Q245 PolarHBondContact O-N 2.62Å; N242-I246 PolarHBondContact O-N 2.79Å
243	P	84.3	Confident	89.3	Confident	48 Å²	48	75 Å²	75	31%	0.312	38%	0.376	S	S	.	.	H	α-helix	trans	-53.7	-32.4	175.8	-30	38.7	0	0	0	114.9	V198 Q245 I246 M247	V198-P243 HydrophobicContact CG2-CB 3.94Å; P243-Q245 VanDerWaalsContact C-N 3.32Å; P243-Q245 PolarHBondContact O-N 3.06Å; P243-I246 WeakPolarHBondContact O-CB 3.4Å; P243-I246 PolarHBondContact O-N 3.25Å; P243-M247 PolarHBondContact O-N 3.38Å
244	M	84.8	Confident	89.2	Confident	106 Å²	106	76.1 Å²	76.1	52%	0.522	39%	0.39	S	S	.	.	H	α-helix	trans	-69.3	-29.4	175	-63.6	-167.6	-67.7	0	0	112.5	N242 I246 M247 F248	N242-M244 PolarHBondContact O-N 2.73Å; N242-M244 VanDerWaalsContact O-N 3.12Å; N242-M244 WeakPolarHBondContact OD1-CB 3.25Å; N242-M244 PolarHBondContact OD1-N 3.03Å; M244-I246 VanDerWaalsContact C-N 3.34Å; M244-M247 PolarHBondContact O-N 3.15Å; M244-F248 HydrophobicContact CB-CD2 4.42Å; M244-F248 HydrophobicContact CB-CE2 4.37Å; M244-F248 WeakPolarHBondContact O-CB 3.48Å; M244-F248 WeakPolarHBondContact O-CD2 3.48Å; M244-F248 PolarHBondContact O-N 2.94Å
245	Q	88.3	Confident	89.2	Confident	90 Å²	90	73.4 Å²	73.4	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-66.3	-38.5	173.5	-173.8	-172.8	-8	0	0	111	N242 P243 S249	N242-Q245 HydrophobicContact CB-CB 4.3Å; N242-Q245 WeakPolarHBondContact O-CA 3.46Å; N242-Q245 WeakPolarHBondContact O-CB 3.06Å; N242-Q245 PolarHBondContact O-N 2.62Å; P243-Q245 VanDerWaalsContact C-N 3.32Å; P243-Q245 PolarHBondContact O-N 3.06Å; Q245-S249 VanDerWaalsContact O-CB 3.24Å; Q245-S249 WeakPolarHBondContact O-CB 3.46Å; Q245-S249 PolarHBondContact O-N 3.21Å; Q245-S249 PolarHBondContact O-OG 3.32Å
246	I	89.3	Confident	89.3	Confident	10 Å²	10	70.2 Å²	70.2	5%	0.051	36%	0.364	C	S	.	.	H	α-helix	trans	-63	-52.5	172.1	-55.9	177.4	0	0	0	109.2	I199 F237 A240 N242 P243 M244 F248 S249 V250	I199-I246 HydrophobicContact CD1-CD1 4.25Å; I199-I246 HydrophobicContact CG1-CD1 3.82Å; I199-I246 HydrophobicContact CG1-CG2 4.5Å; F237-I246 HydrophobicContact CB-CD1 4.16Å; F237-I246 HydrophobicContact CB-CG1 4.08Å; F237-I246 HydrophobicContact CB-CG2 4.48Å; F237-I246 HydrophobicContact CD2-CG2 3.69Å; F237-I246 HydrophobicContact CE2-CG2 4Å; F237-I246 HydrophobicContact CG-CG2 4.06Å; A240-I246 HydrophobicContact CB-CD1 4.07Å; A240-I246 HydrophobicContact CB-CG1 3.44Å; A240-I246 VanDerWaalsContact CB-CG1 3.44Å; N242-I246 PolarHBondContact O-N 2.79Å; P243-I246 WeakPolarHBondContact O-CB 3.4Å; P243-I246 PolarHBondContact O-N 3.25Å; M244-I246 VanDerWaalsContact C-N 3.34Å; I246-F248 PolarHBondContact O-N 3.35Å; I246-S249 PolarHBondContact O-N 3.34Å; I246-S249 VanDerWaalsContact O-N 3.14Å; I246-V250 HydrophobicContact CG2-CG2 4.19Å; I246-V250 WeakPolarHBondContact O-CB 3.42Å; I246-V250 WeakPolarHBondContact O-CG2 3.41Å; I246-V250 PolarHBondContact O-N 3.09Å
247	M	89.1	Confident	89.4	Confident	49 Å²	49	76.6 Å²	76.6	24%	0.241	39%	0.394	C	S	.	.	H	α-helix	trans	-55.5	-50	-179.5	-169.2	178.3	73.7	0	0	112.7	Y206 P243 M244 S249 V250 L251	Y206-M247 HydrophobicContact CD1-CG 3.72Å; Y206-M247 HydrophobicContact CD1-SD 3.86Å; Y206-M247 HydrophobicContact CD2-CG 3.6Å; Y206-M247 HydrophobicContact CE1-CG 3.83Å; Y206-M247 HydrophobicContact CE1-SD 4.36Å; Y206-M247 HydrophobicContact CE2-CB 4.45Å; Y206-M247 HydrophobicContact CE2-CG 3.73Å; Y206-M247 HydrophobicContact CG-CG 3.61Å; Y206-M247 HydrophobicContact CG-SD 3.95Å; P243-M247 PolarHBondContact O-N 3.38Å; M244-M247 PolarHBondContact O-N 3.15Å; M247-S249 PolarHBondContact O-N 3.1Å; M247-V250 PolarHBondContact O-N 3.31Å; M247-L251 HydrophobicContact CG-CD1 4.2Å; M247-L251 WeakPolarHBondContact O-CB 3.17Å; M247-L251 VanDerWaalsContact O-CG 3.29Å; M247-L251 WeakPolarHBondContact O-CG 3.5Å; M247-L251 PolarHBondContact O-N 3.1Å
248	F	88.9	Confident	89.6	Confident	116 Å²	116	77 Å²	77	51%	0.509	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-34.4	177.5	-75.8	-57.8	0	0	0	113.2	M244 I246 R252	M244-F248 HydrophobicContact CB-CD2 4.42Å; M244-F248 HydrophobicContact CB-CE2 4.37Å; M244-F248 WeakPolarHBondContact O-CB 3.48Å; M244-F248 WeakPolarHBondContact O-CD2 3.48Å; M244-F248 PolarHBondContact O-N 2.94Å; I246-F248 PolarHBondContact O-N 3.35Å; F248-R252 VanDerWaalsContact O-CG 3.29Å; F248-R252 WeakPolarHBondContact O-CG 3.33Å; F248-R252 PolarHBondContact O-N 3.33Å; F248-R252 VanDerWaalsContact O-N 3.16Å
249	S	91.7	Very high	89.9	Confident	41 Å²	41	73.2 Å²	73.2	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-67.4	-46.5	174.9	-61.4	0	0	0	0	111.3	Q245 I246 M247 L251 R252 G253 A254	Q245-S249 VanDerWaalsContact O-CB 3.24Å; Q245-S249 WeakPolarHBondContact O-CB 3.46Å; Q245-S249 PolarHBondContact O-N 3.21Å; Q245-S249 PolarHBondContact O-OG 3.32Å; I246-S249 PolarHBondContact O-N 3.34Å; I246-S249 VanDerWaalsContact O-N 3.14Å; M247-S249 PolarHBondContact O-N 3.1Å; S249-L251 PolarHBondContact O-N 3.06Å; S249-R252 CarbonylContact O-C 3.58Å; S249-R252 WeakPolarHBondContact O-CA 3.5Å; S249-R252 PolarHBondContact O-N 3.46Å; S249-G253 PolarHBondContact O-N 3.32Å; S249-A254 VanDerWaalsContact O-CB 3.23Å; S249-A254 WeakPolarHBondContact O-CB 3.29Å; S249-A254 PolarHBondContact O-N 3.26Å
250	V	92.1	Very high	90.3	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.012	38%	0.38	C	S	.	.	H	α-helix	trans	-63	-39.5	178.2	168.4	0	0	0	0	111.9	P203 Y206 Y221 F237 I246 M247 R252 G253 R255	P203-V250 HydrophobicContact CB-CG1 4.14Å; Y206-V250 HydrophobicContact CE2-CB 4.23Å; Y206-V250 HydrophobicContact CE2-CG1 3.86Å; Y221-V250 VanDerWaalsContact OH-CG1 3.28Å; Y221-V250 WeakPolarHBondContact OH-CG1 3.28Å; F237-V250 HydrophobicContact CE1-CG2 4.39Å; F237-V250 HydrophobicContact CE2-CG2 4.13Å; F237-V250 HydrophobicContact CZ-CG2 3.7Å; I246-V250 HydrophobicContact CG2-CG2 4.19Å; I246-V250 WeakPolarHBondContact O-CB 3.42Å; I246-V250 WeakPolarHBondContact O-CG2 3.41Å; I246-V250 PolarHBondContact O-N 3.09Å; M247-V250 PolarHBondContact O-N 3.31Å; V250-R252 VanDerWaalsContact C-N 3.29Å; V250-R252 PolarHBondContact O-N 3.24Å; V250-G253 PolarHBondContact O-N 3.23Å; V250-R255 PolarHBondContact O-NH1 2.86Å
251	L	90.3	Very high	90.6	Very high	87 Å²	87	75.5 Å²	75.5	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-29.7	172.3	-76.8	167.8	0	0	0	113.2	P203 Y206 M247 S249 G253	P203-L251 HydrophobicContact CB-CD2 4.1Å; Y206-L251 HydrophobicContact CD2-CD1 4.23Å; Y206-L251 HydrophobicContact CD2-CD2 4Å; Y206-L251 HydrophobicContact CD2-CG 3.87Å; Y206-L251 HydrophobicContact CE2-CG 4.41Å; M247-L251 HydrophobicContact CG-CD1 4.2Å; M247-L251 WeakPolarHBondContact O-CB 3.17Å; M247-L251 VanDerWaalsContact O-CG 3.29Å; M247-L251 WeakPolarHBondContact O-CG 3.5Å; M247-L251 PolarHBondContact O-N 3.1Å; S249-L251 PolarHBondContact O-N 3.06Å; L251-G253 PolarHBondContact O-N 3.35Å
252	R	92.3	Very high	91.1	Very high	223 Å²	223	69.5 Å²	69.5	84%	0.842	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	6.4	171.9	-70.2	173.3	180	-168.6	0.6	113.5	F248 S249 V250	F248-R252 VanDerWaalsContact O-CG 3.29Å; F248-R252 WeakPolarHBondContact O-CG 3.33Å; F248-R252 PolarHBondContact O-N 3.33Å; F248-R252 VanDerWaalsContact O-N 3.16Å; S249-R252 CarbonylContact O-C 3.58Å; S249-R252 WeakPolarHBondContact O-CA 3.5Å; S249-R252 PolarHBondContact O-N 3.46Å; V250-R252 VanDerWaalsContact C-N 3.29Å; V250-R252 PolarHBondContact O-N 3.24Å
253	G	91.9	Very high	91.8	Very high	44 Å²	44	66.2 Å²	66.2	45%	0.454	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	1.9	178.3	0	0	0	0	0	115.4	S249 V250 L251	S249-G253 PolarHBondContact O-N 3.32Å; V250-G253 PolarHBondContact O-N 3.23Å; L251-G253 PolarHBondContact O-N 3.35Å
254	A	94.2	Very high	92.3	Very high	44 Å²	44	66.3 Å²	66.3	36%	0.364	35%	0.352	S	S	.	.			trans	-65.9	147.5	176.1	0	0	0	0	0	111.6	S249	S249-A254 VanDerWaalsContact O-CB 3.23Å; S249-A254 WeakPolarHBondContact O-CB 3.29Å; S249-A254 PolarHBondContact O-N 3.26Å
255	R	95.7	Very high	92.8	Very high	43 Å²	43	64 Å²	64	16%	0.162	36%	0.356	C	S	.	.			trans	-144.7	164.7	-177.5	-64.3	-64.7	-177.1	-88.2	1.2	109.4	V250 W281	V250-R255 PolarHBondContact O-NH1 2.86Å; R255-W281 HydrophobicContact CB-CD2 4.37Å; R255-W281 HydrophobicContact CB-CZ2 4.03Å; R255-W281 HydrophobicContact CG-CD2 4.3Å; R255-W281 HydrophobicContact CG-CG 4.13Å; R255-W281 PolarHBondContact NE-O 3.41Å; R255-W281 PolarHBondContact NH2-O 2.89Å
256	P	95.4	Very high	93.1	Very high	10 Å²	10	64.7 Å²	64.7	7%	0.065	36%	0.362	C	S	.	.			trans	-59.4	144.6	173.2	-22.5	35.2	0	0	0	112.1	I225 W228 P236 F237 W281	I225-P256 HydrophobicContact CD1-CG 3.92Å; W228-P256 HydrophobicContact CD2-CB 3.41Å; W228-P256 VanDerWaalsContact CD2-CB 3.41Å; W228-P256 HydrophobicContact CD2-CG 4.26Å; W228-P256 HydrophobicContact CE3-CB 3.89Å; W228-P256 HydrophobicContact CE3-CG 4.43Å; W228-P256 HydrophobicContact CG-CB 3.74Å; W228-P256 HydrophobicContact CG-CG 4.47Å; W228-P256 HydrophobicContact CH2-CB 4.25Å; W228-P256 HydrophobicContact CZ2-CB 3.8Å; W228-P256 HydrophobicContact CZ3-CB 4.29Å; P236-P256 HydrophobicContact CB-CG 4.09Å; F237-P256 HydrophobicContact CE2-CG 4.11Å; F237-P256 HydrophobicContact CZ-CG 4.04Å; P256-W281 HydrophobicContact CB-CH2 4.31Å; P256-W281 HydrophobicContact CG-CH2 4.41Å; P256-W281 HydrophobicContact CG-CZ3 4.21Å
257	E	94.3	Very high	93.5	Very high	134 Å²	134	64.5 Å²	64.5	63%	0.626	36%	0.361	S	S	*	.			trans	-75.1	132	-170.1	-63.7	-176.6	169.5	0	0	113.3	W228 C262	W228-E257 PolarHBondContact NE1-O 3.02Å; E257-C262 HydrophobicContact CB-CB 4.32Å; E257-C262 VanDerWaalsContact O-CB 3.24Å; E257-C262 WeakPolarHBondContact O-CB 3.14Å
258	T	96.1	Very high	93.8	Very high	48 Å²	48	63.4 Å²	63.4	29%	0.294	36%	0.357	S	S	.	.			trans	-99	10	-180	56.5	0	0	0	0	113.9	L263 R270 I274 M277 W281	T258-L263 HydrophobicContact CG2-CD1 4.04Å; T258-R270 PolarHBondContact O-NH2 3.03Å; T258-I274 HydrophobicContact CG2-CG1 4.5Å; T258-I274 HydrophobicContact CG2-CG2 4.27Å; T258-M277 HydrophobicContact CG2-SD 4Å; T258-W281 HydrophobicContact CG2-CH2 4.3Å; T258-W281 HydrophobicContact CG2-CZ2 4.1Å
259	G	94.6	Very high	94.1	Very high	35 Å²	35	59.7 Å²	59.7	36%	0.361	35%	0.346	S	S	.	.	S	Bend	trans	-64.6	167.7	175.3	0	0	0	0	0	113.5	D261 C262 L263 R270	G259-D261 PolarHBondContact O-N 3.36Å; G259-C262 PolarHBondContact O-N 3.42Å; G259-L263 PolarHBondContact O-N 3.5Å; G259-R270 PolarHBondContact O-NH2 3.41Å
260	L	94.3	Very high	94.4	Very high	115 Å²	115	60.2 Å²	60.2	60%	0.602	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.1	-179.2	-73.8	169.8	0	0	0	112.6	C262 L263	L260-C262 PolarHBondContact O-N 2.89Å; L260-L263 CarbonylContact O-C 3.47Å
261	D	91.5	Very high	94.6	Very high	133 Å²	133	67.4 Å²	67.4	71%	0.711	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.9	178.8	-52.5	-75.2	0	0	0	113.3	R234 G259	R234-D261 PolarHBondContact NH1-O 2.92Å; R234-D261 PolarHBondContact NH2-O 3.49Å; G259-D261 PolarHBondContact O-N 3.36Å
262	C	93.1	Very high	94.9	Very high	13 Å²	13	65.5 Å²	65.5	9%	0.088	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-37.4	178.8	-77.3	0	0	0	0	113	W228 A232 R234 E257 G259 L260	W228-C262 HydrophobicContact CZ2-CB 4.12Å; A232-C262 WeakPolarHBondContact CA-O 3.5Å; A232-C262 VanDerWaalsContact CB-O 3.3Å; A232-C262 WeakPolarHBondContact CB-O 3.5Å; R234-C262 PolarHBondContact NH1-SG 2.96Å; E257-C262 HydrophobicContact CB-CB 4.32Å; E257-C262 VanDerWaalsContact O-CB 3.24Å; E257-C262 WeakPolarHBondContact O-CB 3.14Å; G259-C262 PolarHBondContact O-N 3.42Å; L260-C262 PolarHBondContact O-N 2.89Å
263	L	96.4	Very high	95.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-118.6	97.3	177.7	-67.4	-175.1	0	0	0	109.6	L231 A232 T258 G259 L260 I267 R270 I274 M277	L231-L263 HydrophobicContact CB-CD2 3.77Å; A232-L263 HydrophobicContact CB-CD2 4.01Å; T258-L263 HydrophobicContact CG2-CD1 4.04Å; G259-L263 PolarHBondContact O-N 3.5Å; L260-L263 CarbonylContact O-C 3.47Å; L263-I267 HydrophobicContact CB-CD1 3.77Å; L263-I267 HydrophobicContact CD2-CD1 4.19Å; L263-R270 VanDerWaalsContact O-CZ 3.27Å; L263-R270 PolarHBondContact O-NE 3.38Å; L263-R270 PolarHBondContact O-NH2 2.88Å; L263-I274 HydrophobicContact CD1-CD1 4.04Å; L263-I274 HydrophobicContact CD1-CG1 3.76Å; L263-M277 HydrophobicContact CD1-CE 3.82Å; L263-M277 HydrophobicContact CD1-SD 3.94Å
264	P	94.4	Very high	95.4	Very high	49 Å²	49	54 Å²	54	32%	0.318	31%	0.312	S	S	.	.			trans	-51.7	159.1	-176.4	-33.1	38.7	0	0	0	116.2	D266 I267 R270	P264-D266 VanDerWaalsContact C-N 3.32Å; P264-D266 WeakPolarHBondContact CB-OD1 3.45Å; P264-D266 PolarHBondContact O-N 3.41Å; P264-I267 WeakPolarHBondContact O-CD1 3.48Å; P264-I267 WeakPolarHBondContact O-CG1 3.48Å; P264-R270 VanDerWaalsContact O-CD 3.32Å; P264-R270 WeakPolarHBondContact O-CD 3.47Å; P264-R270 PolarHBondContact O-NE 3.33Å; P264-R270 VanDerWaalsContact O-NE 3.15Å
265	G	95.5	Very high	95.6	Very high	59 Å²	59	56 Å²	56	61%	0.608	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.5	-179.1	0	0	0	0	0	114.9	I267	G265-I267 VanDerWaalsContact C-N 3.32Å
266	D	95.1	Very high	95.6	Very high	103 Å²	103	54.2 Å²	54.2	55%	0.551	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	0.8	-178.9	67.5	-55.4	0	0	0	114	W126 P264 P268	W126-D266 WeakPolarHBondContact CZ2-OD2 3.27Å; W126-D266 PolarHBondContact NE1-OD2 3.05Å; P264-D266 VanDerWaalsContact C-N 3.32Å; P264-D266 WeakPolarHBondContact CB-OD1 3.45Å; P264-D266 PolarHBondContact O-N 3.41Å; D266-P268 WeakPolarHBondContact O-CD 3.49Å
267	I	96.9	Very high	95.7	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.036	31%	0.307	C	S	.	.	S	Bend	trans	-58.7	120.2	174.7	-67.7	170.3	0	0	0	110.1	W126 L231 L263 P264 G265 S269 R270 L273	W126-I267 HydrophobicContact CH2-CD1 4.27Å; W126-I267 HydrophobicContact CH2-CG1 3.44Å; W126-I267 VanDerWaalsContact CH2-CG1 3.44Å; W126-I267 HydrophobicContact CZ2-CG1 3.82Å; W126-I267 HydrophobicContact CZ3-CG1 3.88Å; L231-I267 HydrophobicContact CB-CD1 4.31Å; L231-I267 HydrophobicContact CD2-CG2 4.14Å; L263-I267 HydrophobicContact CB-CD1 3.77Å; L263-I267 HydrophobicContact CD2-CD1 4.19Å; P264-I267 WeakPolarHBondContact O-CD1 3.48Å; P264-I267 WeakPolarHBondContact O-CG1 3.48Å; G265-I267 VanDerWaalsContact C-N 3.32Å; I267-S269 PolarHBondContact O-N 3.39Å; I267-R270 HydrophobicContact CB-CB 3.98Å; I267-R270 HydrophobicContact CB-CG 4.07Å; I267-R270 HydrophobicContact CD1-CG 4.47Å; I267-R270 HydrophobicContact CG2-CB 4.1Å; I267-R270 HydrophobicContact CG2-CG 4.36Å; I267-R270 WeakPolarHBondContact O-CB 3.23Å; I267-R270 PolarHBondContact O-N 2.96Å; I267-R270 VanDerWaalsContact O-N 3.1Å; I267-L273 HydrophobicContact CG2-CD1 3.51Å
268	P	95.4	Very high	95.8	Very high	25 Å²	25	49.5 Å²	49.5	16%	0.162	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	124.1	178.8	-20.5	31.8	0	0	0	111.5	W126 L130 D266 R270 L273 F305	W126-P268 HydrophobicContact CB-CG 3.7Å; W126-P268 HydrophobicContact CG-CG 3.92Å; L130-P268 HydrophobicContact CD1-CB 4.26Å; L130-P268 HydrophobicContact CD1-CG 4.32Å; D266-P268 WeakPolarHBondContact O-CD 3.49Å; P268-R270 VanDerWaalsContact C-N 3.31Å; P268-R270 PolarHBondContact O-N 3Å; P268-L273 WeakPolarHBondContact O-CD1 3.42Å; P268-F305 HydrophobicContact CB-CZ 4.28Å; P268-F305 HydrophobicContact CG-CE2 4.49Å; P268-F305 HydrophobicContact CG-CZ 3.88Å
269	S	95.9	Very high	95.8	Very high	39 Å²	39	52.7 Å²	52.7	27%	0.273	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	41.8	-171.8	-62.2	0	0	0	0	114	I267 E271 T272 L273 R304	I267-S269 PolarHBondContact O-N 3.39Å; S269-E271 VanDerWaalsContact C-N 3.25Å; S269-E271 PolarHBondContact O-N 3.04Å; S269-E271 VanDerWaalsContact O-N 3.11Å; S269-T272 PolarHBondContact O-N 2.95Å; S269-L273 PolarHBondContact O-N 3.38Å; S269-R304 VanDerWaalsContact OG-CZ 3.28Å; S269-R304 PolarHBondContact OG-NH1 2.96Å; S269-R304 PolarHBondContact OG-NH2 3.48Å
270	R	96.8	Very high	95.9	Very high	51 Å²	51	51 Å²	51	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-40.1	-48.1	178.4	-170.2	178.8	-176.4	-74.6	-9	114.4	T258 G259 L263 P264 I267 P268 L273 I274	T258-R270 PolarHBondContact O-NH2 3.03Å; G259-R270 PolarHBondContact O-NH2 3.41Å; L263-R270 VanDerWaalsContact O-CZ 3.27Å; L263-R270 PolarHBondContact O-NE 3.38Å; L263-R270 PolarHBondContact O-NH2 2.88Å; P264-R270 VanDerWaalsContact O-CD 3.32Å; P264-R270 WeakPolarHBondContact O-CD 3.47Å; P264-R270 PolarHBondContact O-NE 3.33Å; P264-R270 VanDerWaalsContact O-NE 3.15Å; I267-R270 HydrophobicContact CB-CB 3.98Å; I267-R270 HydrophobicContact CB-CG 4.07Å; I267-R270 HydrophobicContact CD1-CG 4.47Å; I267-R270 HydrophobicContact CG2-CB 4.1Å; I267-R270 HydrophobicContact CG2-CG 4.36Å; I267-R270 WeakPolarHBondContact O-CB 3.23Å; I267-R270 PolarHBondContact O-N 2.96Å; I267-R270 VanDerWaalsContact O-N 3.1Å; P268-R270 VanDerWaalsContact C-N 3.31Å; P268-R270 PolarHBondContact O-N 3Å; R270-L273 PolarHBondContact O-N 3.45Å; R270-I274 HydrophobicContact CG-CD1 3.93Å; R270-I274 WeakPolarHBondContact O-CB 3.49Å; R270-I274 VanDerWaalsContact O-CG1 3.31Å; R270-I274 WeakPolarHBondContact O-CG1 3.42Å; R270-I274 PolarHBondContact O-N 3.17Å
271	E	96.8	Very high	96	Very high	153 Å²	153	46.1 Å²	46.1	72%	0.715	26%	0.257	S	S	*	.	H	α-helix	trans	-65.5	-46	-178.3	-62.9	-176.2	165	0	0	112.4	S269 L273 I274 N275	S269-E271 VanDerWaalsContact C-N 3.25Å; S269-E271 PolarHBondContact O-N 3.04Å; S269-E271 VanDerWaalsContact O-N 3.11Å; E271-L273 VanDerWaalsContact C-N 3.33Å; E271-L273 PolarHBondContact O-N 2.88Å; E271-I274 PolarHBondContact O-N 2.84Å; E271-N275 PolarHBondContact O-N 2.85Å; E271-N275 PolarHBondContact O-ND2 3.12Å
272	T	96.6	Very high	96.2	Very high	47 Å²	47	41.1 Å²	41.1	29%	0.288	23%	0.231	S	C	.	.	H	α-helix	trans	-63.4	-39.9	177.4	-38.4	0	0	0	0	111.4	S269 N275 L276 M301	S269-T272 PolarHBondContact O-N 2.95Å; T272-N275 PolarHBondContact O-N 2.97Å; T272-L276 WeakPolarHBondContact O-CB 3.5Å; T272-L276 VanDerWaalsContact O-CG 3.29Å; T272-L276 WeakPolarHBondContact O-CG 3.48Å; T272-L276 PolarHBondContact O-N 2.81Å; T272-M301 HydrophobicContact CG2-CE 3.44Å; T272-M301 VanDerWaalsContact CG2-CE 3.44Å
273	L	97.8	Very high	96	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-36.9	175.7	-70.1	166.9	0	0	0	112.7	L130 M227 L231 I267 P268 S269 R270 E271 L276 M277 L298 M301	L130-L273 HydrophobicContact CD2-CD1 4.13Å; L130-L273 HydrophobicContact CD2-CD2 4.09Å; M227-L273 HydrophobicContact CE-CD2 3.85Å; L231-L273 HydrophobicContact CD1-CB 4Å; L231-L273 HydrophobicContact CD1-CD1 4.14Å; L231-L273 HydrophobicContact CD1-CG 4.46Å; L231-L273 HydrophobicContact CD2-CD1 4.14Å; I267-L273 HydrophobicContact CG2-CD1 3.51Å; P268-L273 WeakPolarHBondContact O-CD1 3.42Å; S269-L273 PolarHBondContact O-N 3.38Å; R270-L273 PolarHBondContact O-N 3.45Å; E271-L273 VanDerWaalsContact C-N 3.33Å; E271-L273 PolarHBondContact O-N 2.88Å; L273-L276 HydrophobicContact CD2-CD1 4.38Å; L273-L276 PolarHBondContact O-N 2.82Å; L273-M277 WeakPolarHBondContact O-CE 3.4Å; L273-M277 PolarHBondContact O-N 2.85Å; L273-L298 HydrophobicContact CD2-CD2 3.66Å; L273-M301 HydrophobicContact CD1-SD 4.4Å; L273-M301 HydrophobicContact CD2-CE 4.24Å; L273-M301 HydrophobicContact CD2-SD 3.87Å; L273-M301 HydrophobicContact CG-CE 4.34Å; L273-M301 HydrophobicContact CG-SD 3.87Å
274	I	97.8	Very high	95.7	Very high	24 Å²	24	46.4 Å²	46.4	12%	0.123	27%	0.268	C	S	.	.	H	α-helix	trans	-65.6	-44.1	172.7	-74.6	169.7	0	0	0	110.6	T258 L263 R270 E271 L276 M277 T278	T258-I274 HydrophobicContact CG2-CG1 4.5Å; T258-I274 HydrophobicContact CG2-CG2 4.27Å; L263-I274 HydrophobicContact CD1-CD1 4.04Å; L263-I274 HydrophobicContact CD1-CG1 3.76Å; R270-I274 HydrophobicContact CG-CD1 3.93Å; R270-I274 WeakPolarHBondContact O-CB 3.49Å; R270-I274 VanDerWaalsContact O-CG1 3.31Å; R270-I274 WeakPolarHBondContact O-CG1 3.42Å; R270-I274 PolarHBondContact O-N 3.17Å; E271-I274 PolarHBondContact O-N 2.84Å; I274-L276 PolarHBondContact O-N 3.27Å; I274-M277 HydrophobicContact CG1-CE 4.28Å; I274-M277 VanDerWaalsContact O-CG 3.27Å; I274-M277 WeakPolarHBondContact O-CG 3.3Å; I274-M277 PolarHBondContact O-N 3.5Å; I274-T278 HydrophobicContact CG2-CG2 4.21Å; I274-T278 WeakPolarHBondContact O-CB 3.37Å; I274-T278 VanDerWaalsContact O-CG2 3.26Å; I274-T278 WeakPolarHBondContact O-CG2 3.34Å; I274-T278 PolarHBondContact O-N 2.98Å; I274-T278 PolarHBondContact O-OG1 3.4Å
275	N	97.2	Very high	95.6	Very high	86 Å²	86	45.2 Å²	45.2	46%	0.46	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-44.9	175.2	-66.6	-16.3	0	0	0	111.1	E271 T272 M277 T278 F279	E271-N275 PolarHBondContact O-N 2.85Å; E271-N275 PolarHBondContact O-ND2 3.12Å; T272-N275 PolarHBondContact O-N 2.97Å; N275-M277 PolarHBondContact O-N 3.41Å; N275-T278 WeakPolarHBondContact CA-OG1 3.4Å; N275-T278 PolarHBondContact O-N 2.96Å; N275-T278 PolarHBondContact O-OG1 3.48Å; N275-T278 VanDerWaalsContact O-OG1 3.12Å; N275-F279 HydrophobicContact CB-CD2 4.42Å; N275-F279 HydrophobicContact CB-CE2 4.38Å; N275-F279 WeakPolarHBondContact O-CB 3.23Å; N275-F279 WeakPolarHBondContact O-CD2 3.29Å; N275-F279 PolarHBondContact O-N 3.21Å
276	L	96.7	Very high	95.4	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-48.7	177.5	-77	172.1	0	0	0	112.7	M227 T272 L273 I274 G280 Q289 E297 L298 M301	M227-L276 HydrophobicContact CE-CB 3.71Å; M227-L276 HydrophobicContact CE-CD1 4.1Å; M227-L276 HydrophobicContact SD-CB 4.19Å; T272-L276 WeakPolarHBondContact O-CB 3.5Å; T272-L276 VanDerWaalsContact O-CG 3.29Å; T272-L276 WeakPolarHBondContact O-CG 3.48Å; T272-L276 PolarHBondContact O-N 2.81Å; L273-L276 HydrophobicContact CD2-CD1 4.38Å; L273-L276 PolarHBondContact O-N 2.82Å; I274-L276 PolarHBondContact O-N 3.27Å; L276-G280 PolarHBondContact O-N 3.25Å; L276-Q289 PolarHBondContact O-NE2 2.79Å; L276-E297 HydrophobicContact CD1-CB 3.93Å; L276-E297 HydrophobicContact CD2-CB 3.88Å; L276-E297 HydrophobicContact CD2-CG 3.93Å; L276-E297 HydrophobicContact CG-CB 4.33Å; L276-L298 HydrophobicContact CD1-CD2 4.08Å; L276-L298 HydrophobicContact CD1-CG 4.15Å; L276-M301 HydrophobicContact CD1-CE 3.91Å
277	M	96	Very high	95.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.9	-38.2	178.5	70.9	-178.3	75.7	0	0	111.8	A224 M227 W228 L231 T258 L263 L273 I274 N275 G280 W281	A224-M277 HydrophobicContact CB-CB 4.41Å; A224-M277 WeakPolarHBondContact CB-O 3.48Å; M227-M277 HydrophobicContact CB-CB 4.19Å; M227-M277 HydrophobicContact SD-CB 4.46Å; W228-M277 HydrophobicContact CB-SD 3.98Å; W228-M277 HydrophobicContact CG-SD 4.39Å; L231-M277 HydrophobicContact CD1-CE 3.58Å; T258-M277 HydrophobicContact CG2-SD 4Å; L263-M277 HydrophobicContact CD1-CE 3.82Å; L263-M277 HydrophobicContact CD1-SD 3.94Å; L273-M277 WeakPolarHBondContact O-CE 3.4Å; L273-M277 PolarHBondContact O-N 2.85Å; I274-M277 HydrophobicContact CG1-CE 4.28Å; I274-M277 VanDerWaalsContact O-CG 3.27Å; I274-M277 WeakPolarHBondContact O-CG 3.3Å; I274-M277 PolarHBondContact O-N 3.5Å; N275-M277 PolarHBondContact O-N 3.41Å; M277-G280 PolarHBondContact O-N 2.95Å; M277-W281 HydrophobicContact CB-CE3 4.43Å; M277-W281 HydrophobicContact CB-CH2 4.35Å; M277-W281 HydrophobicContact CB-CZ3 4.18Å; M277-W281 HydrophobicContact CG-CH2 3.9Å; M277-W281 HydrophobicContact CG-CZ2 4.14Å; M277-W281 HydrophobicContact CG-CZ3 4.24Å; M277-W281 PolarHBondContact O-N 2.72Å; M277-W281 HydrophobicContact SD-CH2 3.67Å; M277-W281 HydrophobicContact SD-CZ2 4.32Å; M277-W281 HydrophobicContact SD-CZ3 4.19Å
278	T	96.9	Very high	95.2	Very high	45 Å²	45	48 Å²	48	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-68.7	-43.9	-178.3	56	0	0	0	0	112.5	I274 N275 G280 W281 T282	I274-T278 HydrophobicContact CG2-CG2 4.21Å; I274-T278 WeakPolarHBondContact O-CB 3.37Å; I274-T278 VanDerWaalsContact O-CG2 3.26Å; I274-T278 WeakPolarHBondContact O-CG2 3.34Å; I274-T278 PolarHBondContact O-N 2.98Å; I274-T278 PolarHBondContact O-OG1 3.4Å; N275-T278 WeakPolarHBondContact CA-OG1 3.4Å; N275-T278 PolarHBondContact O-N 2.96Å; N275-T278 PolarHBondContact O-OG1 3.48Å; N275-T278 VanDerWaalsContact O-OG1 3.12Å; T278-G280 VanDerWaalsContact C-N 3.29Å; T278-G280 PolarHBondContact O-N 2.88Å; T278-W281 HydrophobicContact CG2-CZ2 4.15Å; T278-W281 VanDerWaalsContact O-CD1 3.29Å; T278-W281 PolarHBondContact O-N 2.85Å; T278-T282 PolarHBondContact O-N 3.46Å; T278-T282 PolarHBondContact O-OG1 2.89Å; T278-T282 VanDerWaalsContact O-OG1 3.11Å
279	F	96.6	Very high	95.1	Very high	114 Å²	114	48.2 Å²	48.2	50%	0.5	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-37.2	170.2	-75.3	-60.8	0	0	0	111.9	N275 W281 T282 R288	N275-F279 HydrophobicContact CB-CD2 4.42Å; N275-F279 HydrophobicContact CB-CE2 4.38Å; N275-F279 WeakPolarHBondContact O-CB 3.23Å; N275-F279 WeakPolarHBondContact O-CD2 3.29Å; N275-F279 PolarHBondContact O-N 3.21Å; F279-W281 PolarHBondContact O-N 2.98Å; F279-T282 WeakPolarHBondContact CA-OG1 3.49Å; F279-T282 PolarHBondContact O-OG1 3.12Å; F279-R288 WeakPolarHBondContact O-CA 3.5Å
280	G	96.4	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-33.8	179.7	0	0	0	0	0	114	Y221 L276 M277 T278 R288	Y221-G280 WeakPolarHBondContact CA-O 3.48Å; L276-G280 PolarHBondContact O-N 3.25Å; M277-G280 PolarHBondContact O-N 2.95Å; T278-G280 VanDerWaalsContact C-N 3.29Å; T278-G280 PolarHBondContact O-N 2.88Å; G280-R288 VanDerWaalsContact O-CD 3.25Å; G280-R288 WeakPolarHBondContact O-CD 3.13Å; G280-R288 WeakPolarHBondContact O-CG 3.46Å
281	W	96.4	Very high	95.1	Very high	13 Å²	13	47.4 Å²	47.4	5%	0.049	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	13.4	179.4	66.3	37.6	0	0	0	115.9	Y221 A224 I225 W228 R255 P256 T258 M277 T278 F279	Y221-W281 HydrophobicContact CD2-CB 3.8Å; Y221-W281 HydrophobicContact CE2-CB 3.79Å; Y221-W281 HydrophobicContact CG-CB 4.48Å; A224-W281 HydrophobicContact CB-CB 3.95Å; A224-W281 HydrophobicContact CB-CD2 4.38Å; A224-W281 HydrophobicContact CB-CE3 3.92Å; A224-W281 HydrophobicContact CB-CG 4.43Å; I225-W281 HydrophobicContact CD1-CE3 3.79Å; I225-W281 HydrophobicContact CD1-CZ3 4.21Å; I225-W281 HydrophobicContact CG1-CE3 4.48Å; W228-W281 HydrophobicContact CB-CH2 4.07Å; W228-W281 HydrophobicContact CB-CZ3 3.75Å; W228-W281 AromaticContact CD1-CH2 3.93Å; W228-W281 HydrophobicContact CG-CH2 4.2Å; W228-W281 HydrophobicContact CG-CZ3 4.28Å; R255-W281 HydrophobicContact CB-CD2 4.37Å; R255-W281 HydrophobicContact CB-CZ2 4.03Å; R255-W281 HydrophobicContact CG-CD2 4.3Å; R255-W281 HydrophobicContact CG-CG 4.13Å; R255-W281 PolarHBondContact NE-O 3.41Å; R255-W281 PolarHBondContact NH2-O 2.89Å; P256-W281 HydrophobicContact CB-CH2 4.31Å; P256-W281 HydrophobicContact CG-CH2 4.41Å; P256-W281 HydrophobicContact CG-CZ3 4.21Å; T258-W281 HydrophobicContact CG2-CH2 4.3Å; T258-W281 HydrophobicContact CG2-CZ2 4.1Å; M277-W281 HydrophobicContact CB-CE3 4.43Å; M277-W281 HydrophobicContact CB-CH2 4.35Å; M277-W281 HydrophobicContact CB-CZ3 4.18Å; M277-W281 HydrophobicContact CG-CH2 3.9Å; M277-W281 HydrophobicContact CG-CZ2 4.14Å; M277-W281 HydrophobicContact CG-CZ3 4.24Å; M277-W281 PolarHBondContact O-N 2.72Å; M277-W281 HydrophobicContact SD-CH2 3.67Å; M277-W281 HydrophobicContact SD-CZ2 4.32Å; M277-W281 HydrophobicContact SD-CZ3 4.19Å; T278-W281 HydrophobicContact CG2-CZ2 4.15Å; T278-W281 VanDerWaalsContact O-CD1 3.29Å; T278-W281 PolarHBondContact O-N 2.85Å; F279-W281 PolarHBondContact O-N 2.98Å
282	T	94.9	Very high	95.1	Very high	28 Å²	28	44.5 Å²	44.5	17%	0.172	25%	0.246	C	C	.	.			trans	-51.1	143	178.5	-62.6	0	0	0	0	112.4	T278 F279 N284 E287 R288	T278-T282 PolarHBondContact O-N 3.46Å; T278-T282 PolarHBondContact O-OG1 2.89Å; T278-T282 VanDerWaalsContact O-OG1 3.11Å; F279-T282 WeakPolarHBondContact CA-OG1 3.49Å; F279-T282 PolarHBondContact O-OG1 3.12Å; T282-N284 HydrophobicContact CG2-CB 4.43Å; T282-N284 PolarHBondContact O-N 2.85Å; T282-E287 HydrophobicContact CG2-CB 3.81Å; T282-E287 VanDerWaalsContact CG2-OE2 3.28Å; T282-E287 WeakPolarHBondContact CG2-OE2 3.28Å; T282-R288 PolarHBondContact O-NE 2.93Å; T282-R288 PolarHBondContact O-NH2 2.98Å
283	A	89.8	Confident	95.1	Very high	65 Å²	65	45.7 Å²	45.7	54%	0.537	25%	0.248	S	C	.	.	S	Bend	trans	-61.9	-42.7	-177.2	0	0	0	0	0	112.3	P285 R288	A283-P285 WeakPolarHBondContact O-CD 3.22Å; A283-R288 PolarHBondContact O-NH2 3.37Å
284	N	90.6	Very high	95	Very high	59 Å²	59	45.6 Å²	45.6	32%	0.316	25%	0.248	S	C	.	.	S	Bend	trans	-73.3	121.7	169.2	-176.8	2	0	0	0	110.4	T282 D286 E287	T282-N284 HydrophobicContact CG2-CB 4.43Å; T282-N284 PolarHBondContact O-N 2.85Å; N284-D286 VanDerWaalsContact C-N 3.31Å; N284-D286 PolarHBondContact O-N 2.91Å; N284-D286 PolarHBondContact OD1-N 3.31Å; N284-E287 HydrophobicContact CB-CB 4.27Å; N284-E287 HydrophobicContact CB-CG 4.17Å; N284-E287 WeakPolarHBondContact CB-OE1 3.43Å; N284-E287 PolarHBondContact ND2-OE1 3.5Å; N284-E287 PolarHBondContact O-N 3.37Å
285	P	91.8	Very high	95	Very high	23 Å²	23	45.2 Å²	45.2	15%	0.149	25%	0.246	C	C	.	.	S	Bend	trans	-64.5	-32.2	177.1	-20.6	33.2	0	0	0	113.6	E204 A214 K217 A283 E287 R288	E204-P285 HydrophobicContact CG-CG 4.22Å; A214-P285 HydrophobicContact CB-CB 4.19Å; A214-P285 HydrophobicContact CB-CG 4.05Å; K217-P285 HydrophobicContact CB-CB 3.82Å; K217-P285 VanDerWaalsContact CD-O 3.23Å; K217-P285 WeakPolarHBondContact CD-O 3.24Å; K217-P285 WeakPolarHBondContact CE-O 3.29Å; K217-P285 HydrophobicContact CG-CB 4.14Å; K217-P285 VanDerWaalsContact CG-O 3.22Å; K217-P285 WeakPolarHBondContact CG-O 3.13Å; K217-P285 PolarHBondContact NZ-O 2.99Å; A283-P285 WeakPolarHBondContact O-CD 3.22Å; P285-E287 VanDerWaalsContact C-N 3.3Å; P285-E287 PolarHBondContact O-N 3.29Å; P285-R288 WeakPolarHBondContact O-CB 3.33Å; P285-R288 PolarHBondContact O-N 3.42Å; P285-R288 VanDerWaalsContact O-N 3.15Å
286	D	90.6	Very high	95	Very high	105 Å²	105	46.2 Å²	46.2	56%	0.561	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-30.6	-176.1	-72	-34	0	0	0	112	K217 N284 R288	K217-D286 PolarHBondContact NZ-O 3.32Å; N284-D286 VanDerWaalsContact C-N 3.31Å; N284-D286 PolarHBondContact O-N 2.91Å; N284-D286 PolarHBondContact OD1-N 3.31Å; D286-R288 VanDerWaalsContact C-N 3.32Å; D286-R288 PolarHBondContact O-N 3.31Å
287	E	93	Very high	95	Very high	120 Å²	120	49.4 Å²	49.4	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.7	173.9	-74.1	162.6	-135.6	0	0	114.1	T282 N284 P285 Q289	T282-E287 HydrophobicContact CG2-CB 3.81Å; T282-E287 VanDerWaalsContact CG2-OE2 3.28Å; T282-E287 WeakPolarHBondContact CG2-OE2 3.28Å; N284-E287 HydrophobicContact CB-CB 4.27Å; N284-E287 HydrophobicContact CB-CG 4.17Å; N284-E287 WeakPolarHBondContact CB-OE1 3.43Å; N284-E287 PolarHBondContact ND2-OE1 3.5Å; N284-E287 PolarHBondContact O-N 3.37Å; P285-E287 VanDerWaalsContact C-N 3.3Å; P285-E287 PolarHBondContact O-N 3.29Å; E287-Q289 PolarHBondContact O-N 3.23Å
288	R	95.2	Very high	95.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.008	27%	0.265	C	S	.	.	S	Bend	trans	-69.3	131.1	177.3	-57.3	175.3	-165.7	148.8	11.6	110.4	E204 K217 M220 F279 G280 T282 A283 P285 D286	E204-R288 IonicContact OE1-CZ 3.97Å; E204-R288 IonicContact OE1-NH1 3.89Å; E204-R288 PolarHBondContact OE1-NH1 3.19Å; E204-R288 IonicContact OE1-NH2 2.62Å; E204-R288 PolarHBondContact OE1-NH2 3.21Å; E204-R288 VanDerWaalsContact OE1-NH2 3.16Å; E204-R288 IonicContact OE2-CZ 2.7Å; E204-R288 IonicContact OE2-NH1 2.62Å; E204-R288 IonicContact OE2-NH2 3.32Å; E204-R288 PolarHBondContact OE2-NH2 3.03Å; K217-R288 HydrophobicContact CD-CB 4.39Å; K217-R288 PolarHBondContact NZ-O 2.9Å; K217-R288 PolarHBondContact O-NH1 3.28Å; M220-R288 HydrophobicContact CG-CB 4.11Å; F279-R288 WeakPolarHBondContact O-CA 3.5Å; G280-R288 VanDerWaalsContact O-CD 3.25Å; G280-R288 WeakPolarHBondContact O-CD 3.13Å; G280-R288 WeakPolarHBondContact O-CG 3.46Å; T282-R288 PolarHBondContact O-NE 2.93Å; T282-R288 PolarHBondContact O-NH2 2.98Å; A283-R288 PolarHBondContact O-NH2 3.37Å; P285-R288 WeakPolarHBondContact O-CB 3.33Å; P285-R288 PolarHBondContact O-N 3.42Å; P285-R288 VanDerWaalsContact O-N 3.15Å; D286-R288 VanDerWaalsContact C-N 3.32Å; D286-R288 PolarHBondContact O-N 3.31Å
289	Q	94	Very high	95	Very high	31 Å²	31	50.4 Å²	50.4	15%	0.145	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.7	169.9	-179	61.4	-179.9	-27.2	0	0	113.9	M220 L276 E287 Q293 C294	M220-Q289 HydrophobicContact CE-CG 4.35Å; M220-Q289 WeakPolarHBondContact CG-O 3.46Å; M220-Q289 HydrophobicContact SD-CG 4.03Å; L276-Q289 PolarHBondContact O-NE2 2.79Å; E287-Q289 PolarHBondContact O-N 3.23Å; Q289-Q293 HydrophobicContact CB-CB 4.38Å; Q289-C294 PolarHBondContact NE2-SG 3.39Å; Q289-C294 VanDerWaalsContact NE2-SG 3.44Å
290	S	95.1	Very high	95	Very high	67 Å²	67	48.3 Å²	48.3	47%	0.469	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-88.3	156.9	173.2	66.8	0	0	0	0	111.4	L292 Q293 C294	S290-L292 PolarHBondContact O-N 3.06Å; S290-Q293 PolarHBondContact O-N 3.19Å; S290-Q293 VanDerWaalsContact O-N 3.11Å; S290-Q293 PolarHBondContact OG-N 3.18Å; S290-C294 PolarHBondContact O-N 3.12Å
291	F	97.3	Very high	95	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-28.7	172.7	-79.5	-80	0	0	0	112.9	A137 V140 N141 H144 D219 M220 Y223 Q293 C294 V295	A137-F291 HydrophobicContact CB-CD1 4.28Å; V140-F291 HydrophobicContact CB-CD1 4.04Å; V140-F291 HydrophobicContact CB-CD2 4.17Å; V140-F291 HydrophobicContact CB-CE1 3.83Å; V140-F291 HydrophobicContact CB-CE2 3.98Å; V140-F291 HydrophobicContact CB-CG 4.21Å; V140-F291 HydrophobicContact CB-CZ 3.8Å; V140-F291 HydrophobicContact CG1-CD1 4.42Å; V140-F291 HydrophobicContact CG1-CD2 3.7Å; V140-F291 HydrophobicContact CG1-CE1 4.09Å; V140-F291 HydrophobicContact CG1-CE2 3.31Å; V140-F291 HydrophobicContact CG1-CG 4.24Å; V140-F291 HydrophobicContact CG1-CZ 3.53Å; V140-F291 HydrophobicContact CG2-CE1 4.26Å; V140-F291 HydrophobicContact CG2-CZ 4.23Å; N141-F291 HydrophobicContact CB-CB 3.8Å; H144-F291 AromaticContact CE1-CD2 3.86Å; H144-F291 AromaticContact CE1-CE2 3.79Å; H144-F291 AromaticContact ND1-CD2 3.82Å; D219-F291 HydrophobicContact CB-CE2 3.97Å; D219-F291 HydrophobicContact CB-CZ 4.19Å; M220-F291 HydrophobicContact CB-CE2 4.25Å; M220-F291 HydrophobicContact CB-CZ 4.5Å; M220-F291 HydrophobicContact CE-CB 4.31Å; M220-F291 HydrophobicContact CE-CD1 3.7Å; M220-F291 HydrophobicContact CE-CD2 3.66Å; M220-F291 HydrophobicContact CE-CE1 3.82Å; M220-F291 HydrophobicContact CE-CE2 3.75Å; M220-F291 HydrophobicContact CE-CG 3.62Å; M220-F291 HydrophobicContact CE-CZ 3.84Å; Y223-F291 AromaticContact CD1-CE1 3.8Å; Y223-F291 HydrophobicContact CD1-CE1 3.8Å; Y223-F291 HydrophobicContact CD2-CE1 4.1Å; Y223-F291 HydrophobicContact CE1-CE1 4.45Å; Y223-F291 AromaticContact CG-CE1 3.6Å; Y223-F291 HydrophobicContact CG-CE1 3.6Å; Y223-F291 HydrophobicContact CG-CZ 4.18Å; F291-Q293 PolarHBondContact O-N 2.93Å; F291-C294 PolarHBondContact O-N 3.36Å; F291-V295 VanDerWaalsContact O-CG2 3.29Å; F291-V295 WeakPolarHBondContact O-CG2 3.19Å; F291-V295 PolarHBondContact O-N 2.9Å
292	L	96.9	Very high	94.9	Very high	92 Å²	92	49.5 Å²	49.5	48%	0.482	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-42.7	171.4	-179.5	61.1	0	0	0	112	N141 S290 V295 M296	N141-L292 PolarHBondContact OD1-N 3.39Å; S290-L292 PolarHBondContact O-N 3.06Å; L292-V295 PolarHBondContact O-N 3.38Å; L292-M296 HydrophobicContact CD1-SD 4.44Å; L292-M296 HydrophobicContact CG-SD 4.21Å; L292-M296 WeakPolarHBondContact O-CG 3.43Å; L292-M296 PolarHBondContact O-N 2.81Å
293	Q	95.9	Very high	94.9	Very high	72 Å²	72	55.8 Å²	55.8	34%	0.336	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-44.8	174.8	-168.4	67.4	33.2	0	0	111.1	Q289 S290 F291 V295 M296 E297	Q289-Q293 HydrophobicContact CB-CB 4.38Å; S290-Q293 PolarHBondContact O-N 3.19Å; S290-Q293 VanDerWaalsContact O-N 3.11Å; S290-Q293 PolarHBondContact OG-N 3.18Å; F291-Q293 PolarHBondContact O-N 2.93Å; Q293-V295 VanDerWaalsContact C-N 3.28Å; Q293-V295 PolarHBondContact O-N 3.31Å; Q293-M296 PolarHBondContact O-N 3.5Å; Q293-M296 VanDerWaalsContact O-N 3.12Å; Q293-E297 HydrophobicContact CG-CG 4.33Å; Q293-E297 PolarHBondContact NE2-OE1 3.26Å; Q293-E297 WeakPolarHBondContact O-CG 3.2Å; Q293-E297 PolarHBondContact O-N 3.22Å
294	C	96	Very high	95.1	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.1	-43.1	175.7	-64	0	0	0	0	112.1	A137 M220 Y223 Q289 S290 F291 E297 L298	A137-C294 HydrophobicContact CB-CB 4.41Å; M220-C294 VanDerWaalsContact CE-SG 3.53Å; Y223-C294 HydrophobicContact CE1-CB 4.27Å; Q289-C294 PolarHBondContact NE2-SG 3.39Å; Q289-C294 VanDerWaalsContact NE2-SG 3.44Å; S290-C294 PolarHBondContact O-N 3.12Å; F291-C294 PolarHBondContact O-N 3.36Å; C294-E297 PolarHBondContact O-N 3.34Å; C294-L298 VanDerWaalsContact O-CB 3.25Å; C294-L298 WeakPolarHBondContact O-CB 3.29Å; C294-L298 WeakPolarHBondContact O-CD1 3.48Å; C294-L298 WeakPolarHBondContact O-CG 3.5Å; C294-L298 PolarHBondContact O-N 3.39Å
295	V	97.8	Very high	95.2	Very high	15 Å²	15	58.7 Å²	58.7	9%	0.091	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-47	175.6	166.9	0	0	0	0	111	Y134 A137 L138 F291 L292 Q293 E297 L298 E299	Y134-V295 HydrophobicContact CE2-CG1 3.91Å; A137-V295 HydrophobicContact CB-CG2 3.84Å; L138-V295 HydrophobicContact CD2-CB 4.46Å; L138-V295 HydrophobicContact CD2-CG1 3.72Å; L138-V295 HydrophobicContact CD2-CG2 3.79Å; L138-V295 HydrophobicContact CG-CG2 4.18Å; F291-V295 VanDerWaalsContact O-CG2 3.29Å; F291-V295 WeakPolarHBondContact O-CG2 3.19Å; F291-V295 PolarHBondContact O-N 2.9Å; L292-V295 PolarHBondContact O-N 3.38Å; Q293-V295 VanDerWaalsContact C-N 3.28Å; Q293-V295 PolarHBondContact O-N 3.31Å; V295-E297 VanDerWaalsContact C-N 3.34Å; V295-E297 PolarHBondContact O-N 2.84Å; V295-L298 PolarHBondContact O-N 2.91Å; V295-E299 WeakPolarHBondContact O-CB 3.31Å; V295-E299 PolarHBondContact O-N 2.97Å
296	M	97.5	Very high	95.2	Very high	107 Å²	107	61.4 Å²	61.4	53%	0.527	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-34.6	179.2	-73.4	173.9	58.9	0	0	113.7	L292 Q293 P300	L292-M296 HydrophobicContact CD1-SD 4.44Å; L292-M296 HydrophobicContact CG-SD 4.21Å; L292-M296 WeakPolarHBondContact O-CG 3.43Å; L292-M296 PolarHBondContact O-N 2.81Å; Q293-M296 PolarHBondContact O-N 3.5Å; Q293-M296 VanDerWaalsContact O-N 3.12Å; M296-P300 WeakPolarHBondContact O-CD 3.27Å
297	E	96.9	Very high	95.2	Very high	75 Å²	75	63.7 Å²	63.7	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-80.9	-35.6	177.7	-63.8	-67.3	159.2	0	0	112.6	L276 Q293 C294 V295 M301	L276-E297 HydrophobicContact CD1-CB 3.93Å; L276-E297 HydrophobicContact CD2-CB 3.88Å; L276-E297 HydrophobicContact CD2-CG 3.93Å; L276-E297 HydrophobicContact CG-CB 4.33Å; Q293-E297 HydrophobicContact CG-CG 4.33Å; Q293-E297 PolarHBondContact NE2-OE1 3.26Å; Q293-E297 WeakPolarHBondContact O-CG 3.2Å; Q293-E297 PolarHBondContact O-N 3.22Å; C294-E297 PolarHBondContact O-N 3.34Å; V295-E297 VanDerWaalsContact C-N 3.34Å; V295-E297 PolarHBondContact O-N 2.84Å; E297-M301 VanDerWaalsContact O-CE 3.27Å; E297-M301 WeakPolarHBondContact O-CE 3.42Å; E297-M301 WeakPolarHBondContact O-CG 3.41Å
298	L	97	Very high	95.3	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-78	-34.2	-178.7	-72.2	168.9	0	0	0	113.2	L130 Y134 A137 Y223 L273 L276 C294 V295 M301 L302	L130-L298 HydrophobicContact CD2-CD2 4.43Å; Y134-L298 HydrophobicContact CD2-CB 3.95Å; A137-L298 HydrophobicContact CB-CD1 4.41Å; Y223-L298 WeakPolarHBondContact OH-CD1 3.43Å; L273-L298 HydrophobicContact CD2-CD2 3.66Å; L276-L298 HydrophobicContact CD1-CD2 4.08Å; L276-L298 HydrophobicContact CD1-CG 4.15Å; C294-L298 VanDerWaalsContact O-CB 3.25Å; C294-L298 WeakPolarHBondContact O-CB 3.29Å; C294-L298 WeakPolarHBondContact O-CD1 3.48Å; C294-L298 WeakPolarHBondContact O-CG 3.5Å; C294-L298 PolarHBondContact O-N 3.39Å; V295-L298 PolarHBondContact O-N 2.91Å; L298-M301 HydrophobicContact CD2-CE 4.43Å; L298-M301 HydrophobicContact CD2-SD 4.37Å; L298-M301 WeakPolarHBondContact O-CB 3.3Å; L298-M301 PolarHBondContact O-N 3.37Å; L298-L302 PolarHBondContact O-N 3.35Å
299	E	96.3	Very high	95.3	Very high	63 Å²	63	65.4 Å²	65.4	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-45.4	-176.4	-165.2	-169.1	-148.2	0	0	113	Y134 V295 M301 L302 R303	Y134-E299 HydrophobicContact CE2-CB 3.71Å; Y134-E299 HydrophobicContact CE2-CG 4.07Å; Y134-E299 WeakPolarHBondContact OH-CG 3.47Å; Y134-E299 PolarHBondContact OH-OE1 3.14Å; V295-E299 WeakPolarHBondContact O-CB 3.31Å; V295-E299 PolarHBondContact O-N 2.97Å; E299-M301 VanDerWaalsContact C-N 3.28Å; E299-M301 PolarHBondContact O-N 2.98Å; E299-L302 PolarHBondContact O-N 3.23Å; E299-R303 WeakPolarHBondContact O-CG 3.38Å; E299-R303 PolarHBondContact O-N 3.35Å; E299-R303 IonicContact OE1-CZ 3.02Å; E299-R303 IonicContact OE1-NH1 2.84Å; E299-R303 IonicContact OE1-NH2 2.73Å; E299-R303 PolarHBondContact OE1-NH2 2.74Å; E299-R303 IonicContact OE2-CZ 3.29Å; E299-R303 IonicContact OE2-NH1 2.81Å; E299-R303 PolarHBondContact OE2-NH1 3.22Å; E299-R303 IonicContact OE2-NH2 2.84Å; E299-R303 PolarHBondContact OE2-NH2 2.96Å
300	P	96.1	Very high	95.3	Very high	69 Å²	69	64.7 Å²	64.7	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-30	172.9	-22	34.3	0	0	0	113.7	M296	M296-P300 WeakPolarHBondContact O-CD 3.27Å
301	M	95.1	Very high	95.4	Very high	8 Å²	8	65.7 Å²	65.7	4%	0.039	32%	0.315	C	S	.	.	H	α-helix	trans	-70.4	-41.2	176.8	-57.1	-171.2	-148.4	0	0	111.6	T272 L273 L276 E297 L298 E299 R304	T272-M301 HydrophobicContact CG2-CE 3.44Å; T272-M301 VanDerWaalsContact CG2-CE 3.44Å; L273-M301 HydrophobicContact CD1-SD 4.4Å; L273-M301 HydrophobicContact CD2-CE 4.24Å; L273-M301 HydrophobicContact CD2-SD 3.87Å; L273-M301 HydrophobicContact CG-CE 4.34Å; L273-M301 HydrophobicContact CG-SD 3.87Å; L276-M301 HydrophobicContact CD1-CE 3.91Å; E297-M301 VanDerWaalsContact O-CE 3.27Å; E297-M301 WeakPolarHBondContact O-CE 3.42Å; E297-M301 WeakPolarHBondContact O-CG 3.41Å; L298-M301 HydrophobicContact CD2-CE 4.43Å; L298-M301 HydrophobicContact CD2-SD 4.37Å; L298-M301 WeakPolarHBondContact O-CB 3.3Å; L298-M301 PolarHBondContact O-N 3.37Å; E299-M301 VanDerWaalsContact C-N 3.28Å; E299-M301 PolarHBondContact O-N 2.98Å; M301-R304 PolarHBondContact O-NE 3.2Å
302	L	94.6	Very high	95.4	Very high	30 Å²	30	70.8 Å²	70.8	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-69.5	-41	179.6	-176	59.8	0	0	0	111.4	L130 R131 Y134 L298 E299 R304 F305	L130-L302 HydrophobicContact CB-CD1 4.3Å; R131-L302 HydrophobicContact CB-CD1 4.18Å; Y134-L302 HydrophobicContact CD1-CD2 3.49Å; Y134-L302 VanDerWaalsContact CD1-CD2 3.49Å; Y134-L302 HydrophobicContact CE1-CD2 4.1Å; Y134-L302 HydrophobicContact CG-CD2 3.88Å; L298-L302 PolarHBondContact O-N 3.35Å; E299-L302 PolarHBondContact O-N 3.23Å; L302-R304 PolarHBondContact O-N 2.76Å; L302-F305 PolarHBondContact O-N 2.76Å
303	R	94.6	Very high	95.4	Very high	161 Å²	161	66.9 Å²	66.9	61%	0.608	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-10.6	175.3	-77.4	-175.8	-179.3	116.4	0.7	115.6	E299 F305	E299-R303 WeakPolarHBondContact O-CG 3.38Å; E299-R303 PolarHBondContact O-N 3.35Å; E299-R303 IonicContact OE1-CZ 3.02Å; E299-R303 IonicContact OE1-NH1 2.84Å; E299-R303 IonicContact OE1-NH2 2.73Å; E299-R303 PolarHBondContact OE1-NH2 2.74Å; E299-R303 IonicContact OE2-CZ 3.29Å; E299-R303 IonicContact OE2-NH1 2.81Å; E299-R303 PolarHBondContact OE2-NH1 3.22Å; E299-R303 IonicContact OE2-NH2 2.84Å; E299-R303 PolarHBondContact OE2-NH2 2.96Å; R303-F305 VanDerWaalsContact C-N 3.34Å
304	R	94.3	Very high	95.5	Very high	133 Å²	133	63.8 Å²	63.8	50%	0.502	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.1	173.3	-64.3	-177.9	-59.8	-166.6	-4.9	113.6	S269 M301 L302	S269-R304 VanDerWaalsContact OG-CZ 3.28Å; S269-R304 PolarHBondContact OG-NH1 2.96Å; S269-R304 PolarHBondContact OG-NH2 3.48Å; M301-R304 PolarHBondContact O-NE 3.2Å; L302-R304 PolarHBondContact O-N 2.76Å
305	F	93.3	Very high	95.5	Very high	51 Å²	51	69 Å²	69	22%	0.224	33%	0.334	C	S	.	.	S	Bend	trans	-95.7	134.5	169.5	-60.5	-82.6	0	0	0	107.5	W126 L130 P268 L302 R303 N309	W126-F305 HydrophobicContact CB-CZ 4.41Å; L130-F305 HydrophobicContact CD1-CD2 4.35Å; L130-F305 HydrophobicContact CD1-CE2 3.54Å; L130-F305 HydrophobicContact CD1-CZ 4.25Å; P268-F305 HydrophobicContact CB-CZ 4.28Å; P268-F305 HydrophobicContact CG-CE2 4.49Å; P268-F305 HydrophobicContact CG-CZ 3.88Å; L302-F305 PolarHBondContact O-N 2.76Å; R303-F305 VanDerWaalsContact C-N 3.34Å; F305-N309 HydrophobicContact CB-CB 4.33Å; F305-N309 HydrophobicContact CD1-CB 4.29Å
306	D	91.4	Very high	95.5	Very high	80 Å²	80	72 Å²	72	43%	0.428	35%	0.347	S	S	.	.			trans	-75.3	167.7	167.3	65.5	48.4	0	0	0	110.2	I308 N309 V310	D306-I308 PolarHBondContact O-N 2.97Å; D306-I308 VanDerWaalsContact OD1-CA 3.26Å; D306-I308 WeakPolarHBondContact OD1-CA 3.43Å; D306-I308 WeakPolarHBondContact OD1-CB 3.3Å; D306-I308 PolarHBondContact OD1-N 2.92Å; D306-N309 VanDerWaalsContact CG-CG 3.5Å; D306-N309 PolarHBondContact N-OD1 2.9Å; D306-N309 PolarHBondContact O-N 3.09Å; D306-N309 PolarHBondContact OD1-N 3.02Å; D306-N309 PolarHBondContact OD1-ND2 3.39Å; D306-N309 PolarHBondContact OD1-OD1 3.02Å; D306-N309 PolarHBondContact OD2-ND2 3.1Å; D306-N309 PolarHBondContact OD2-OD1 3.28Å; D306-V310 PolarHBondContact O-N 2.79Å
307	E	91.4	Very high	95.4	Very high	154 Å²	154	67.1 Å²	67.1	72%	0.72	32%	0.322	S	S	*	.	H	α-helix	trans	-63.7	-27.4	179.5	-170.2	171.4	-168.3	0	0	112	V310 L311	E307-V310 PolarHBondContact O-N 2.99Å; E307-L311 HydrophobicContact CG-CD1 4.12Å; E307-L311 HydrophobicContact CG-CG 4.44Å; E307-L311 VanDerWaalsContact O-CG 3.28Å; E307-L311 WeakPolarHBondContact O-CG 3.19Å; E307-L311 PolarHBondContact O-N 2.92Å
308	I	94.8	Very high	95.4	Very high	107 Å²	107	67 Å²	67	55%	0.549	32%	0.321	S	S	.	.	H	α-helix	trans	-67.8	-44.3	177.8	-53.7	173.8	0	0	0	109.5	D306 V310 L311 E312	D306-I308 PolarHBondContact O-N 2.97Å; D306-I308 VanDerWaalsContact OD1-CA 3.26Å; D306-I308 WeakPolarHBondContact OD1-CA 3.43Å; D306-I308 WeakPolarHBondContact OD1-CB 3.3Å; D306-I308 PolarHBondContact OD1-N 2.92Å; I308-V310 PolarHBondContact O-N 2.84Å; I308-V310 VanDerWaalsContact O-N 3.14Å; I308-L311 PolarHBondContact O-N 3.05Å; I308-L311 VanDerWaalsContact O-N 3.07Å; I308-E312 HydrophobicContact CG2-CG 4.04Å; I308-E312 WeakPolarHBondContact O-CB 3.02Å; I308-E312 VanDerWaalsContact O-CG 3.29Å; I308-E312 WeakPolarHBondContact O-CG 3.49Å; I308-E312 PolarHBondContact O-N 2.88Å
309	N	94.4	Very high	95.3	Very high	50 Å²	50	71.3 Å²	71.3	27%	0.267	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-22.8	177.5	-40.5	145.8	0	0	0	112.9	S127 F305 D306 A313	S127-N309 WeakPolarHBondContact CB-O 3.36Å; S127-N309 PolarHBondContact OG-O 2.92Å; F305-N309 HydrophobicContact CB-CB 4.33Å; F305-N309 HydrophobicContact CD1-CB 4.29Å; D306-N309 VanDerWaalsContact CG-CG 3.5Å; D306-N309 PolarHBondContact N-OD1 2.9Å; D306-N309 PolarHBondContact O-N 3.09Å; D306-N309 PolarHBondContact OD1-N 3.02Å; D306-N309 PolarHBondContact OD1-ND2 3.39Å; D306-N309 PolarHBondContact OD1-OD1 3.02Å; D306-N309 PolarHBondContact OD2-ND2 3.1Å; D306-N309 PolarHBondContact OD2-OD1 3.28Å; N309-A313 WeakPolarHBondContact O-CB 3.47Å
310	V	94.4	Very high	95.2	Very high	17 Å²	17	68.9 Å²	68.9	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-80.7	-46.2	172.8	175.2	0	0	0	0	110.2	D306 E307 I308 A313 V314	D306-V310 PolarHBondContact O-N 2.79Å; E307-V310 PolarHBondContact O-N 2.99Å; I308-V310 PolarHBondContact O-N 2.84Å; I308-V310 VanDerWaalsContact O-N 3.14Å; V310-A313 WeakPolarHBondContact O-CB 3.36Å; V310-A313 PolarHBondContact O-N 3.25Å; V310-V314 WeakPolarHBondContact O-CG2 3.48Å; V310-V314 PolarHBondContact O-N 2.77Å
311	L	96.4	Very high	95	Very high	88 Å²	88	66.8 Å²	66.8	46%	0.461	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-42.5	178.4	-70.5	168.9	0	0	0	112.3	E307 I308 A313 V314 L315	E307-L311 HydrophobicContact CG-CD1 4.12Å; E307-L311 HydrophobicContact CG-CG 4.44Å; E307-L311 VanDerWaalsContact O-CG 3.28Å; E307-L311 WeakPolarHBondContact O-CG 3.19Å; E307-L311 PolarHBondContact O-N 2.92Å; I308-L311 PolarHBondContact O-N 3.05Å; I308-L311 VanDerWaalsContact O-N 3.07Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 3.11Å; L311-V314 PolarHBondContact O-N 3.05Å; L311-L315 WeakPolarHBondContact O-CB 3.47Å; L311-L315 VanDerWaalsContact O-CG 3.28Å; L311-L315 WeakPolarHBondContact O-CG 3.39Å; L311-L315 PolarHBondContact O-N 3.46Å
312	E	97.4	Very high	94.8	Very high	112 Å²	112	71.3 Å²	71.3	52%	0.523	34%	0.337	S	S	.	.	H	α-helix	trans	-58.1	-44	173.4	-72.9	175.6	142	0	0	111.7	I308 L315 E316	I308-E312 HydrophobicContact CG2-CG 4.04Å; I308-E312 WeakPolarHBondContact O-CB 3.02Å; I308-E312 VanDerWaalsContact O-CG 3.29Å; I308-E312 WeakPolarHBondContact O-CG 3.49Å; I308-E312 PolarHBondContact O-N 2.88Å; E312-L315 PolarHBondContact O-N 3.34Å; E312-E316 PolarHBondContact O-N 3.08Å
313	A	97.3	Very high	94.5	Very high	9 Å²	9	75.5 Å²	75.5	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-63.8	-41	176.5	0	0	0	0	0	112.2	A125 S127 L128 N309 V310 L311 V317	A125-A313 HydrophobicContact CB-CB 3.78Å; S127-A313 WeakPolarHBondContact OG-CB 3.29Å; L128-A313 HydrophobicContact CB-CB 3.86Å; N309-A313 WeakPolarHBondContact O-CB 3.47Å; V310-A313 WeakPolarHBondContact O-CB 3.36Å; V310-A313 PolarHBondContact O-N 3.25Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-A313 PolarHBondContact O-N 3.11Å; A313-V317 VanDerWaalsContact O-CG2 3.26Å; A313-V317 WeakPolarHBondContact O-CG2 3.25Å; A313-V317 PolarHBondContact O-N 2.83Å
314	V	97.6	Very high	93.9	Very high	8 Å²	8	72.4 Å²	72.4	5%	0.048	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-42.3	173.8	169.7	0	0	0	0	111.2	L128 E165 F166 V310 L311 V317 K318	L128-V314 HydrophobicContact CD1-CG2 4Å; L128-V314 HydrophobicContact CD2-CG2 4.32Å; E165-V314 WeakPolarHBondContact O-CG2 3.41Å; F166-V314 HydrophobicContact CD2-CG1 4.18Å; V310-V314 WeakPolarHBondContact O-CG2 3.48Å; V310-V314 PolarHBondContact O-N 2.77Å; L311-V314 PolarHBondContact O-N 3.05Å; V314-V317 PolarHBondContact O-N 3.27Å; V314-K318 HydrophobicContact CG1-CD 4.1Å; V314-K318 HydrophobicContact CG1-CG 4.43Å; V314-K318 WeakPolarHBondContact O-CB 3.46Å; V314-K318 WeakPolarHBondContact O-CG 3.5Å; V314-K318 PolarHBondContact O-N 3.23Å
315	L	97.2	Very high	93	Very high	110 Å²	110	73.2 Å²	73.2	58%	0.576	35%	0.349	S	S	*	.	H	α-helix	trans	-64.3	-42.9	178.8	-74.1	169.7	0	0	0	112.3	L311 E312 V317 K318 K319	L311-L315 WeakPolarHBondContact O-CB 3.47Å; L311-L315 VanDerWaalsContact O-CG 3.28Å; L311-L315 WeakPolarHBondContact O-CG 3.39Å; L311-L315 PolarHBondContact O-N 3.46Å; E312-L315 PolarHBondContact O-N 3.34Å; L315-V317 PolarHBondContact O-N 2.82Å; L315-K318 PolarHBondContact O-N 3.35Å; L315-K319 WeakPolarHBondContact O-CB 3.09Å; L315-K319 PolarHBondContact O-N 3.2Å
316	E	96.6	Very high	91.9	Very high	78 Å²	78	73.6 Å²	73.6	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-67.8	-35.2	178.7	-169	57.7	-147.5	0	0	112.3	E312 K319 S320	E312-E316 PolarHBondContact O-N 3.08Å; E316-K319 IonicContact OE1-NZ 2.62Å; E316-K319 PolarHBondContact OE1-NZ 3.32Å; E316-K319 IonicContact OE2-NZ 2.76Å; E316-K319 PolarHBondContact OE2-NZ 2.95Å; E316-S320 WeakPolarHBondContact O-CB 3.32Å; E316-S320 PolarHBondContact O-N 3.42Å; E316-S320 PolarHBondContact O-OG 2.98Å
317	V	96.6	Very high	90.7	Very high	3 Å²	3	72.3 Å²	72.3	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-68.9	-42.8	173.6	173.8	0	0	0	0	111.1	L114 Y121 L124 L128 F166 A313 V314 L315 S320 K321	L114-V317 HydrophobicContact CD1-CG1 3.73Å; Y121-V317 HydrophobicContact CD1-CG1 3.64Å; Y121-V317 HydrophobicContact CE1-CG1 3.87Å; L124-V317 HydrophobicContact CD1-CG2 3.9Å; L128-V317 HydrophobicContact CD2-CG2 4.06Å; F166-V317 HydrophobicContact CD1-CG1 4.08Å; F166-V317 HydrophobicContact CD2-CG1 4.49Å; F166-V317 HydrophobicContact CE1-CG1 3.47Å; F166-V317 VanDerWaalsContact CE1-CG1 3.47Å; F166-V317 HydrophobicContact CE2-CG1 3.92Å; F166-V317 HydrophobicContact CZ-CB 4.46Å; F166-V317 HydrophobicContact CZ-CG1 3.38Å; A313-V317 VanDerWaalsContact O-CG2 3.26Å; A313-V317 WeakPolarHBondContact O-CG2 3.25Å; A313-V317 PolarHBondContact O-N 2.83Å; V314-V317 PolarHBondContact O-N 3.27Å; L315-V317 PolarHBondContact O-N 2.82Å; V317-S320 PolarHBondContact O-N 3.34Å; V317-K321 WeakPolarHBondContact O-CB 3.36Å; V317-K321 PolarHBondContact O-N 2.89Å; V317-K321 VanDerWaalsContact O-N 3.11Å
318	K	96.3	Very high	88.9	Confident	73 Å²	73	69 Å²	69	32%	0.317	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-46.9	172	-77.4	-179.9	174.6	-172	0	111.7	G164 E165 F166 V314 L315 K321 L322	G164-K318 WeakPolarHBondContact O-CE 3.27Å; G164-K318 PolarHBondContact O-NZ 2.8Å; E165-K318 IonicContact OE1-NZ 4Å; E165-K318 PolarHBondContact OE1-NZ 3.2Å; F166-K318 HydrophobicContact CD2-CG 4.44Å; F166-K318 HydrophobicContact CE2-CG 3.79Å; V314-K318 HydrophobicContact CG1-CD 4.1Å; V314-K318 HydrophobicContact CG1-CG 4.43Å; V314-K318 WeakPolarHBondContact O-CB 3.46Å; V314-K318 WeakPolarHBondContact O-CG 3.5Å; V314-K318 PolarHBondContact O-N 3.23Å; L315-K318 PolarHBondContact O-N 3.35Å; K318-K321 PolarHBondContact O-N 2.89Å; K318-L322 PolarHBondContact O-N 2.91Å
319	K	94.8	Very high	86.7	Confident	93 Å²	93	73.8 Å²	73.8	40%	0.404	36%	0.364	S	S	.	.	H	α-helix	trans	-60.7	-47.7	177.6	170.5	172.1	158.1	-111.2	0	112.1	L315 E316 K321 L322 M323	L315-K319 WeakPolarHBondContact O-CB 3.09Å; L315-K319 PolarHBondContact O-N 3.2Å; E316-K319 IonicContact OE1-NZ 2.62Å; E316-K319 PolarHBondContact OE1-NZ 3.32Å; E316-K319 IonicContact OE2-NZ 2.76Å; E316-K319 PolarHBondContact OE2-NZ 2.95Å; K319-K321 VanDerWaalsContact C-N 3.34Å; K319-K321 PolarHBondContact O-N 3.25Å; K319-L322 PolarHBondContact O-N 3.11Å; K319-M323 HydrophobicContact CD-CE 4.35Å; K319-M323 HydrophobicContact CG-CE 3.96Å; K319-M323 HydrophobicContact CG-SD 4.07Å; K319-M323 WeakPolarHBondContact O-CB 3.32Å; K319-M323 WeakPolarHBondContact O-CG 3.05Å; K319-M323 PolarHBondContact O-N 3.17Å
320	S	93.6	Very high	84.3	Confident	12 Å²	12	75.8 Å²	75.8	8%	0.084	38%	0.382	C	S	.	.	H	α-helix	trans	-57.8	-46.2	177.3	-60.7	0	0	0	0	111.7	V120 E316 V317 L322 M323 R324	V120-S320 CarbonylContact O-C 3.6Å; V120-S320 VanDerWaalsContact O-CB 3.26Å; V120-S320 WeakPolarHBondContact O-CB 3.36Å; E316-S320 WeakPolarHBondContact O-CB 3.32Å; E316-S320 PolarHBondContact O-N 3.42Å; E316-S320 PolarHBondContact O-OG 2.98Å; V317-S320 PolarHBondContact O-N 3.34Å; S320-L322 PolarHBondContact O-N 2.7Å; S320-M323 PolarHBondContact O-N 3.19Å; S320-R324 WeakPolarHBondContact O-CG 3.44Å; S320-R324 PolarHBondContact O-N 3.46Å; S320-R324 VanDerWaalsContact O-N 3.1Å
321	K	92.1	Very high	81.6	Confident	25 Å²	25	78.1 Å²	78.1	11%	0.109	40%	0.403	C	S	.	.	H	α-helix	trans	-62	-42	176.6	-170.9	174.7	-172.8	161.6	0	113.1	S107 N108 V120 Y121 V317 K318 K319 R325	S107-K321 PolarHBondContact O-NZ 3.49Å; N108-K321 PolarHBondContact OD1-NZ 3.1Å; V120-K321 HydrophobicContact CG1-CB 4.32Å; V120-K321 HydrophobicContact CG1-CG 4.22Å; Y121-K321 HydrophobicContact CE1-CB 3.98Å; Y121-K321 HydrophobicContact CE1-CD 4.07Å; Y121-K321 HydrophobicContact CE1-CG 4.26Å; Y121-K321 WeakPolarHBondContact OH-CD 3.34Å; Y121-K321 WeakPolarHBondContact OH-CE 3.47Å; Y121-K321 PolarHBondContact OH-NZ 3.32Å; V317-K321 WeakPolarHBondContact O-CB 3.36Å; V317-K321 PolarHBondContact O-N 2.89Å; V317-K321 VanDerWaalsContact O-N 3.11Å; K318-K321 PolarHBondContact O-N 2.89Å; K319-K321 VanDerWaalsContact C-N 3.34Å; K319-K321 PolarHBondContact O-N 3.25Å; K321-R325 PolarHBondContact O-N 3.33Å; K321-R325 VanDerWaalsContact O-N 3.1Å
322	L	91.4	Very high	78.6	Confident	104 Å²	104	79.8 Å²	79.8	55%	0.545	42%	0.417	S	S	.	.	H	α-helix	trans	-68.3	-46.8	178.6	-178.6	60.3	0	0	0	111.9	K318 K319 S320 R324 R325 A326	K318-L322 PolarHBondContact O-N 2.91Å; K319-L322 PolarHBondContact O-N 3.11Å; S320-L322 PolarHBondContact O-N 2.7Å; L322-R324 VanDerWaalsContact C-N 3.27Å; L322-R324 PolarHBondContact O-N 3.27Å; L322-R325 PolarHBondContact O-N 2.73Å; L322-A326 PolarHBondContact O-N 3.07Å
323	M	87.9	Confident	75.6	Confident	117 Å²	117	80.1 Å²	80.1	58%	0.576	43%	0.429	S	S	*	.	H	α-helix	trans	-58.1	-40.2	177.2	-74.3	-179.9	167.7	0	0	111.8	K319 S320 A326 S327	K319-M323 HydrophobicContact CD-CE 4.35Å; K319-M323 HydrophobicContact CG-CE 3.96Å; K319-M323 HydrophobicContact CG-SD 4.07Å; K319-M323 WeakPolarHBondContact O-CB 3.32Å; K319-M323 WeakPolarHBondContact O-CG 3.05Å; K319-M323 PolarHBondContact O-N 3.17Å; S320-M323 PolarHBondContact O-N 3.19Å; M323-A326 PolarHBondContact O-N 3.24Å; M323-S327 WeakPolarHBondContact O-CB 3.31Å; M323-S327 PolarHBondContact O-N 2.83Å
324	R	81.8	Confident	72.3	Confident	97 Å²	97	85.9 Å²	85.9	37%	0.366	46%	0.463	S	S	.	.	H	α-helix	trans	-70.3	-38.9	177.3	-70.8	-75	-73.7	152.2	-3.7	112.6	T119 S320 L322 S327 C328	T119-R324 VanDerWaalsContact O-CD 3.28Å; T119-R324 WeakPolarHBondContact O-CD 3.5Å; T119-R324 WeakPolarHBondContact O-CG 3.24Å; T119-R324 PolarHBondContact O-NE 3.32Å; T119-R324 PolarHBondContact OG1-NH2 2.88Å; S320-R324 WeakPolarHBondContact O-CG 3.44Å; S320-R324 PolarHBondContact O-N 3.46Å; S320-R324 VanDerWaalsContact O-N 3.1Å; L322-R324 VanDerWaalsContact C-N 3.27Å; L322-R324 PolarHBondContact O-N 3.27Å; R324-S327 PolarHBondContact O-N 3.46Å; R324-C328 PolarHBondContact O-N 3.06Å; R324-C328 PolarHBondContact O-SG 3.39Å
325	R	75.8	Confident	69.1	Low	149 Å²	149	91.5 Å²	91.5	56%	0.562	50%	0.497	S	S	*	.	H	α-helix	trans	-58.6	-47.1	169.9	-79.6	-179.8	168.9	173.4	-2.5	112.2	K321 L322 S327 C328 Y329	K321-R325 PolarHBondContact O-N 3.33Å; K321-R325 VanDerWaalsContact O-N 3.1Å; L322-R325 PolarHBondContact O-N 2.73Å; R325-S327 VanDerWaalsContact C-N 3.35Å; R325-S327 PolarHBondContact O-N 3.41Å; R325-C328 WeakPolarHBondContact O-CB 3.45Å; R325-C328 PolarHBondContact O-N 2.93Å; R325-Y329 WeakPolarHBondContact O-CD2 3.44Å; R325-Y329 PolarHBondContact O-N 3.41Å
326	A	71	Confident	65.7	Low	59 Å²	59	91.9 Å²	91.9	49%	0.488	51%	0.507	S	S	.	.	H	α-helix	trans	-59.8	-44.1	176.5	0	0	0	0	0	112	L322 M323 C328 Y329 S330	L322-A326 PolarHBondContact O-N 3.07Å; M323-A326 PolarHBondContact O-N 3.24Å; A326-C328 VanDerWaalsContact C-N 3.28Å; A326-C328 PolarHBondContact O-N 3.05Å; A326-Y329 PolarHBondContact O-N 3.3Å; A326-Y329 VanDerWaalsContact O-N 3.09Å; A326-S330 PolarHBondContact O-N 3.1Å; A326-S330 VanDerWaalsContact O-N 3.15Å
327	S	65.7	Low	62.5	Low	54 Å²	54	97 Å²	97	38%	0.378	53%	0.531	S	S	.	.	H	α-helix	trans	-58.5	-36.7	176	-179.6	0	0	0	0	112.9	M323 R324 R325 S330 A331	M323-S327 WeakPolarHBondContact O-CB 3.31Å; M323-S327 PolarHBondContact O-N 2.83Å; R324-S327 PolarHBondContact O-N 3.46Å; R325-S327 VanDerWaalsContact C-N 3.35Å; R325-S327 PolarHBondContact O-N 3.41Å; S327-S330 WeakPolarHBondContact CA-OG 3.21Å; S327-S330 PolarHBondContact O-N 3.29Å; S327-S330 PolarHBondContact O-OG 3.06Å; S327-A331 PolarHBondContact O-N 2.86Å
328	C	53.3	Low	59.4	Low	84 Å²	84	108.4 Å²	108.4	57%	0.568	57%	0.574	S	S	*	*	H	α-helix	trans	-65.4	-37	174.3	-64.6	0	0	0	0	113.1	R324 R325 A326 S330 A331	R324-C328 PolarHBondContact O-N 3.06Å; R324-C328 PolarHBondContact O-SG 3.39Å; R325-C328 WeakPolarHBondContact O-CB 3.45Å; R325-C328 PolarHBondContact O-N 2.93Å; A326-C328 VanDerWaalsContact C-N 3.28Å; A326-C328 PolarHBondContact O-N 3.05Å; C328-S330 VanDerWaalsContact C-N 3.34Å; C328-A331 PolarHBondContact O-N 3.04Å
329	Y	48.2	Very low	56.1	Low	208 Å²	208	108.6 Å²	108.6	82%	0.816	60%	0.597	S	S	*	*	H	α-helix	trans	-73.8	-24	176.7	-67.4	-66.9	0	0	0	113.2	R325 A326	R325-Y329 WeakPolarHBondContact O-CD2 3.44Å; R325-Y329 PolarHBondContact O-N 3.41Å; A326-Y329 PolarHBondContact O-N 3.3Å; A326-Y329 VanDerWaalsContact O-N 3.09Å
330	S	44.2	Very low	52.9	Low	91 Å²	91	115.8 Å²	115.8	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-81.8	-10.6	171.8	59.8	0	0	0	0	114.5	A326 S327 C328 T332	A326-S330 PolarHBondContact O-N 3.1Å; A326-S330 VanDerWaalsContact O-N 3.15Å; S327-S330 WeakPolarHBondContact CA-OG 3.21Å; S327-S330 PolarHBondContact O-N 3.29Å; S327-S330 PolarHBondContact O-OG 3.06Å; C328-S330 VanDerWaalsContact C-N 3.34Å; S330-T332 PolarHBondContact O-N 3.36Å
331	A	38	Very low	49.8	Very low	66 Å²	66	124.4 Å²	124.4	55%	0.545	66%	0.66	S	S	.	*			trans	-85.8	103.3	-179.3	0	0	0	0	0	110.8	S327 C328	S327-A331 PolarHBondContact O-N 2.86Å; C328-A331 PolarHBondContact O-N 3.04Å
332	T	32.8	Very low	46.8	Very low	124 Å²	124	130.2 Å²	130.2	76%	0.761	69%	0.688	S	S	*	*			trans	-56.9	138.5	169.3	48.7	0	0	0	0	110.7	S330 V334	S330-T332 PolarHBondContact O-N 3.36Å; T332-V334 PolarHBondContact O-N 2.77Å
333	P	35	Very low	43.7	Very low	118 Å²	118	133.9 Å²	133.9	77%	0.766	70%	0.702	S	S	*	*			trans	-64	122.4	-176.5	26.2	-34.3	0	0	0	111.1	V335	P333-V335 PolarHBondContact O-N 3.1Å
334	V	28.3	Very low	40.9	Very low	131 Å²	131	136.4 Å²	136.4	79%	0.794	71%	0.71	S	S	*	*			trans	-70.4	115.9	170.8	176.9	0	0	0	0	108.3	T332 C336	T332-V334 PolarHBondContact O-N 2.77Å; V334-C336 PolarHBondContact O-N 3.27Å; V334-C336 VanDerWaalsContact O-N 3.1Å
335	V	29.6	Very low	38.4	Very low	126 Å²	126	136.8 Å²	136.8	76%	0.764	73%	0.727	S	S	*	*			trans	-72.4	101.8	176.1	178.8	0	0	0	0	109.1	P333 E337	P333-V335 PolarHBondContact O-N 3.1Å; V335-E337 PolarHBondContact O-N 2.78Å
336	C	26.7	Very low	36.2	Very low	117 Å²	117	138.1 Å²	138.1	79%	0.791	75%	0.745	S	S	*	*			trans	-75.9	106.7	162	-78.9	0	0	0	0	109	V334 R338	V334-C336 PolarHBondContact O-N 3.27Å; V334-C336 VanDerWaalsContact O-N 3.1Å; C336-R338 PolarHBondContact O-N 3.46Å
337	E	30.2	Very low	34	Very low	186 Å²	186	142.2 Å²	142.2	87%	0.869	76%	0.758	S	S	*	*			trans	-61.3	121.4	173.4	-66.2	-170.3	126.3	0	0	111.4	V335	V335-E337 PolarHBondContact O-N 2.78Å
338	R	30.3	Very low	32.3	Very low	242 Å²	242	146.8 Å²	146.8	91%	0.913	78%	0.777	S	S	*	*			trans	-158.5	113.3	158.8	-163.8	169	-62.6	-144	1	112.4	C336	C336-R338 PolarHBondContact O-N 3.46Å
339	G	27	Very low	31	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	79%	0.785	S	S	*	*			trans	70.2	113.4	160.8	0	0	0	0	0	116
340	R	27.1	Very low	30.1	Very low	244 Å²	244	147.8 Å²	147.8	92%	0.921	78%	0.782	S	S	*	*			trans	-71.3	139.3	155.9	-63.4	174.8	179.3	167.1	-1.2	108.3
341	E	28.6	Very low	29.2	Very low	193 Å²	193	151 Å²	151	90%	0.902	79%	0.792	S	S	*	*				-159.7	147.1	126.5	-110.5	158.5	-148.5	0	0	111.4
342	E	29.6	Very low	28.8	Very low	148 Å²	148	155 Å²	155	69%	0.692	80%	0.804	S	S	*	*			trans	-24.4	125.1	-161.2	-54.9	-166.8	158.1	0	0	121.4	K344	E342-K344 IonicContact OE2-NZ 2.8Å; E342-K344 PolarHBondContact OE2-NZ 3.15Å
343	E	27	Very low	29.1	Very low	180 Å²	180	154.3 Å²	154.3	84%	0.841	80%	0.802	S	S	*	*			trans	-68.4	136.2	148.8	-66.3	-179.1	108.1	0	0	110.7
344	K	28.9	Very low	28.7	Very low	171 Å²	171	153.8 Å²	153.8	74%	0.743	80%	0.801	S	S	*	*			trans	-132.4	94.8	153.5	-77.5	-168.9	173.6	92.4	0	110.2	E342	E342-K344 IonicContact OE2-NZ 2.8Å; E342-K344 PolarHBondContact OE2-NZ 3.15Å
345	S	29.5	Very low	28.8	Very low	104 Å²	104	153 Å²	153	73%	0.727	80%	0.798	S	S	*	*			trans	-67.3	145.1	165.9	-50.1	0	0	0	0	110.7
346	L	28.9	Very low	28.9	Very low	178 Å²	178	157.2 Å²	157.2	93%	0.932	80%	0.801	S	S	*	*				-160.7	154.4	129	-109.3	171.3	0	0	0	111.6
347	N	26.1	Very low	29.2	Very low	144 Å²	144	157.8 Å²	157.8	77%	0.77	80%	0.803	S	S	*	*			trans	-98	166.4	-163.6	-103.1	-43.3	0	0	0	113.5
348	I	29.1	Very low	29.1	Very low	151 Å²	151	152.3 Å²	152.3	77%	0.774	80%	0.797	S	S	*	*			trans	94.1	128.4	143.8	-80.8	156.8	0	0	0	121.3
349	L	26.1	Very low	29.1	Very low	140 Å²	140	146.6 Å²	146.6	73%	0.733	79%	0.794	S	S	*	*			trans	88.9	104.2	154	-120.9	72.2	0	0	0	122.5
350	K	28.7	Very low	29.2	Very low	172 Å²	172	148 Å²	148	75%	0.748	79%	0.791	S	S	*	*			trans	33.7	106.4	132.9	-58.3	178.4	180	179.5	0	118.7
351	N	26.6	Very low	29.2	Very low	160 Å²	160	143 Å²	143	86%	0.856	79%	0.788	S	S	*	*				-175.2	154.7	97.4	-89	-22.3	0	0	0	111.3
352	N	29.3	Very low	29.3	Very low	148 Å²	148	139.4 Å²	139.4	79%	0.791	78%	0.784	S	S	*	*			trans	-109.1	163	166.2	-121.3	-6.8	0	0	0	107.6
353	P	38.5	Very low	29.1	Very low	110 Å²	110	136 Å²	136	71%	0.714	79%	0.789	S	S	*	*			cis	-132.9	-174.7	28.6	42.1	-25.6	0	0	0	116.7
354	S	26.9	Very low	29.2	Very low	108 Å²	108	133.6 Å²	133.6	76%	0.755	79%	0.792	S	S	*	*			trans	78.2	110.2	167.7	69.8	0	0	0	0	118.2
355	P	29.4	Very low	29	Very low	113 Å²	113	129.3 Å²	129.3	73%	0.734	80%	0.796	S	S	*	*			trans	-121.5	79.1	171	38.5	-24.4	0	0	0	112.9
356	W	31.5	Very low	28.9	Very low	215 Å²	215	130 Å²	130	81%	0.814	80%	0.801	S	S	*	*			trans	-133.4	116.9	162.7	-77.2	113.2	0	0	0	109.3	G358	W356-G358 PolarHBondContact O-N 2.85Å
357	P	34.2	Very low	28.6	Very low	130 Å²	130	127 Å²	127	84%	0.844	79%	0.794	S	S	*	*			trans	-68.8	112.4	177.5	-19.7	32.9	0	0	0	111.3	S359	P357-S359 PolarHBondContact O-N 3.49Å
358	G	27.2	Very low	28.7	Very low	71 Å²	71	125.5 Å²	125.5	73%	0.732	79%	0.794	S	S	*	*			trans	-70.7	126.4	174.3	0	0	0	0	0	111.7	W356 S360	W356-G358 PolarHBondContact O-N 2.85Å; G358-S360 PolarHBondContact O-N 2.71Å
359	S	30.8	Very low	28.7	Very low	121 Å²	121	122.7 Å²	122.7	85%	0.846	79%	0.788	S	S	*	*			trans	-75.7	104.7	171.2	-174.2	0	0	0	0	110	P357	P357-S359 PolarHBondContact O-N 3.49Å
360	S	28.5	Very low	28.8	Very low	107 Å²	107	123.6 Å²	123.6	75%	0.748	79%	0.789	S	S	*	*			trans	-95.9	116.3	179.6	57.9	0	0	0	0	111.8	G358	G358-S360 PolarHBondContact O-N 2.71Å
361	T	28	Very low	28.7	Very low	138 Å²	138	121 Å²	121	85%	0.847	78%	0.783	S	S	*	*			trans	-80.4	120	-179.9	50.9	0	0	0	0	113.3
362	S	29.8	Very low	28.8	Very low	118 Å²	118	118.9 Å²	118.9	83%	0.825	78%	0.776	S	S	*	*			trans	-165.6	142.9	162.7	56.5	0	0	0	0	109.4
363	G	25.8	Very low	28.6	Very low	77 Å²	77	118.6 Å²	118.6	79%	0.794	77%	0.774	S	S	*	*			cis	-169.6	166.2	-3.5	0	0	0	0	0	109.7
364	S	29.1	Very low	28.1	Very low	130 Å²	130	120.2 Å²	120.2	91%	0.909	78%	0.776	S	S	*	*			trans	-81	139.7	-173.7	53.4	0	0	0	0	114.1
365	G	24.7	Very low	28.1	Very low	80 Å²	80	120.5 Å²	120.5	83%	0.825	78%	0.777	S	S	*	*			trans	-169.7	125.7	167.8	0	0	0	0	0	112.2
366	S	26.9	Very low	27.9	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	78%	0.783	S	S	*	*			trans	-116.6	153.3	-177.1	-58.3	0	0	0	0	111.8
367	C	24.4	Very low	28.5	Very low	115 Å²	115	118.6 Å²	118.6	78%	0.777	78%	0.777	S	S	*	*			trans	142	140.2	130	-77	0	0	0	0	115
368	S	26.2	Very low	28.1	Very low	112 Å²	112	117.6 Å²	117.6	78%	0.783	77%	0.773	S	S	*	*			trans	59.9	147.1	149.5	48.7	0	0	0	0	120.3
369	S	29.2	Very low	28.1	Very low	92 Å²	92	119.1 Å²	119.1	64%	0.643	77%	0.772	S	S	*	*			cis	-174.1	176.3	-12.9	47.2	0	0	0	0	109.8
370	Q	29.1	Very low	27.9	Very low	160 Å²	160	119.9 Å²	119.9	75%	0.748	77%	0.767	S	S	*	*			trans	73.8	146.2	165.2	-61.9	-177.3	-78.9	0	0	116.5
371	D	27.3	Very low	27.7	Very low	118 Å²	118	120.8 Å²	120.8	63%	0.631	77%	0.767	S	S	*	*			cis	-153.1	170	-10.4	-112.6	-27.3	0	0	0	111.8
372	T	27.2	Very low	27.5	Very low	114 Å²	114	118.2 Å²	118.2	70%	0.699	76%	0.755	S	S	*	*			trans	21.5	140.8	156.7	57.9	0	0	0	0	120.6
373	D	25.3	Very low	27.4	Very low	142 Å²	142	118 Å²	118	76%	0.759	75%	0.749	S	S	*	*				-165.1	178.4	56.8	-142.8	-14	0	0	0	117.2
374	I	28.2	Very low	27.4	Very low	145 Å²	145	121.5 Å²	121.5	74%	0.744	75%	0.75	S	S	*	*			trans	-69.4	139.5	-164.1	-68.8	156.4	0	0	0	117.3
375	S	27.9	Very low	27.6	Very low	113 Å²	113	119.1 Å²	119.1	79%	0.79	74%	0.737	S	S	*	*				-177.5	153.9	119.5	37.1	0	0	0	0	115.5
376	Q	24.3	Very low	28.3	Very low	183 Å²	183	121 Å²	121	86%	0.855	74%	0.736	S	S	*	*			trans	-147.4	-170.2	-179.3	-86	-158.7	4.4	0	0	108.2
377	P	45.4	Very low	29.5	Very low	105 Å²	105	120.9 Å²	120.9	68%	0.682	73%	0.732	S	S	*	*				-133.1	174.1	-59	39	-24.1	0	0	0	113.3
378	S	25.8	Very low	29.8	Very low	109 Å²	109	119.4 Å²	119.4	76%	0.762	72%	0.723	S	S	*	*			trans	-163.2	119.9	154	-71.4	0	0	0	0	107.8
379	S	26.6	Very low	29.9	Very low	103 Å²	103	122.2 Å²	122.2	72%	0.72	72%	0.721	S	S	*	*				74.8	138.1	67.5	88.4	0	0	0	0	111.9
380	L	26.5	Very low	29.8	Very low	138 Å²	138	125.3 Å²	125.3	72%	0.723	73%	0.725	S	S	*	*			cis	-168.8	143.6	12.3	-127.3	166.9	0	0	0	111
381	T	24.8	Very low	29.8	Very low	125 Å²	125	124.5 Å²	124.5	77%	0.767	73%	0.731	S	S	*	*			trans	61.3	161	147.8	36.6	0	0	0	0	122.3
382	S	23.9	Very low	29.8	Very low	84 Å²	84	123.9 Å²	123.9	59%	0.587	74%	0.736	S	S	*	*			cis	-170.4	140.1	-14.7	-164.8	0	0	0	0	113.3
383	T	25.8	Very low	30.5	Very low	113 Å²	113	124 Å²	124	69%	0.693	74%	0.738	S	S	*	*			trans	56.2	163.5	139.3	56.8	0	0	0	0	122.3
384	N	27.8	Very low	30.6	Very low	152 Å²	152	121.9 Å²	121.9	81%	0.813	74%	0.735	S	S	*	*			cis	-155.9	170.4	-8.4	-119.8	-16.5	0	0	0	112.6
385	A	31.7	Very low	30.6	Very low	79 Å²	79	122.1 Å²	122.1	65%	0.653	74%	0.737	S	S	*	*			trans	-82.4	-167.8	163.4	0	0	0	0	0	112.3
386	P	40.7	Very low	30.6	Very low	121 Å²	121	125.9 Å²	125.9	79%	0.786	74%	0.739	S	S	*	*				-151.3	-149.5	85.4	45.3	-23.3	0	0	0	114.7
387	P	52.1	Low	30.7	Very low	116 Å²	116	125.1 Å²	125.1	75%	0.753	74%	0.738	S	S	*	*				-125.2	-150.1	-119.8	39.3	-13.8	0	0	0	113.1
388	S	29.1	Very low	31	Very low	84 Å²	84	124.3 Å²	124.3	59%	0.587	73%	0.733	S	S	*	*			cis	-168.3	178.6	12.4	43.2	0	0	0	0	111.2
389	K	28.9	Very low	31.1	Very low	171 Å²	171	127 Å²	127	74%	0.743	73%	0.733	S	S	*	*			trans	83.6	120.1	163.9	-49.3	-164.4	178.3	-175.8	0	119.3
390	E	28.4	Very low	30.9	Very low	157 Å²	157	127.2 Å²	127.2	73%	0.734	73%	0.73	S	S	*	*			cis	93.1	133.2	33.4	-65	139.5	50.6	0	0	112.2
391	V	27.7	Very low	30.9	Very low	142 Å²	142	127.2 Å²	127.2	86%	0.861	73%	0.73	S	S	*	*			cis	-144.2	166.5	11.6	-164.3	0	0	0	0	111.4
392	S	27.4	Very low	30.8	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	73%	0.731	S	S	*	*			trans	-89.2	179.9	174.2	-38.1	0	0	0	0	114.2
393	P	43.1	Very low	31.2	Very low	115 Å²	115	130.2 Å²	130.2	75%	0.747	74%	0.735	S	S	*	*				-152.9	153.2	71.4	41	-20.3	0	0	0	120.2
394	S	27.1	Very low	31.6	Very low	99 Å²	99	130.7 Å²	130.7	69%	0.692	74%	0.74	S	S	*	*			trans	41	129.1	146.2	64.6	0	0	0	0	124
395	L	27.6	Very low	31.6	Very low	149 Å²	149	132.3 Å²	132.3	78%	0.78	74%	0.742	S	S	*	*				-178.2	148.8	99.6	-95.2	173	0	0	0	115.2
396	F	27.1	Very low	31.6	Very low	193 Å²	193	133.6 Å²	133.6	85%	0.846	74%	0.744	S	S	*	*			trans	64.5	170.6	163.9	-83.1	-72.5	0	0	0	122.4
397	M	27	Very low	30.9	Very low	166 Å²	166	136.3 Å²	136.3	82%	0.818	75%	0.751	S	S	*	*			trans	-159.4	174.4	-144.6	-107.1	-77.1	168.3	0	0	110.2
398	P	51.5	Low	29.7	Very low	89 Å²	89	142.1 Å²	142.1	58%	0.578	76%	0.758	S	S	*	*				-112.1	-137.3	-115.3	44.1	-32.1	0	0	0	114.3
399	H	27.3	Very low	29.6	Very low	166 Å²	166	146.9 Å²	146.9	77%	0.769	77%	0.771	S	S	*	*			trans	85	158.8	173.5	-62.4	-66.3	0	0	0	118.1
400	T	24.3	Very low	29.8	Very low	107 Å²	107	144.2 Å²	144.2	66%	0.656	77%	0.771	S	S	*	*				-156.9	169.2	-55.8	-16.9	0	0	0	0	110
401	L	24.7	Very low	29.8	Very low	137 Å²	137	141.1 Å²	141.1	72%	0.717	77%	0.767	S	S	*	*			trans	62	130.7	147.6	-74.8	162.2	0	0	0	123
402	E	24.4	Very low	29.8	Very low	169 Å²	169	143.8 Å²	143.8	79%	0.79	77%	0.77	S	S	*	*			trans	59.2	172.9	139.1	-81.6	-169.7	123.3	0	0	121.7
403	P	31.6	Very low	29.8	Very low	103 Å²	103	142.4 Å²	142.4	67%	0.669	77%	0.772	S	S	*	*			cis	-130.7	-177.4	-31.5	33.8	-16.5	0	0	0	113
404	P	33.2	Very low	29.1	Very low	124 Å²	124	143.8 Å²	143.8	81%	0.805	77%	0.773	S	S	*	*			trans	-112.5	116.7	164.2	35	-23.5	0	0	0	113.2
405	Q	27.9	Very low	29.2	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.864	77%	0.774	S	S	*	*			trans	-154.6	164.9	173.1	-97.2	-128.5	7.8	0	0	111.3
406	P	32.5	Very low	29.3	Very low	107 Å²	107	144.8 Å²	144.8	70%	0.695	77%	0.772	S	S	*	*				-110.6	164.7	-110.7	39.9	-38.5	0	0	0	115.4
407	L	24.9	Very low	29.4	Very low	177 Å²	177	143.4 Å²	143.4	93%	0.927	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-101.1	133.2	175.1	-79.5	168.7	0	0	0	113.1
408	R	27.5	Very low	29.5	Very low	239 Å²	239	142.2 Å²	142.2	90%	0.902	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-84.4	169.4	161.1	-73.8	174.1	165.6	162.8	-6.1	109.9
409	E	28.3	Very low	28.3	Very low	184 Å²	184	144.7 Å²	144.7	86%	0.86	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-56.7	162	167.8	-47.4	174.4	139.5	0	0	111.7
410	P	33	Very low	28.3	Very low	114 Å²	114	147.5 Å²	147.5	74%	0.74	78%	0.783	S	S	*	*				-151.2	157.3	90.2	41.8	-25.3	0	0	0	117.9
411	S	26.9	Very low	28.7	Very low	93 Å²	93	147.9 Å²	147.9	65%	0.65	79%	0.787	S	S	*	*			trans	46.4	122.1	139.8	66.9	0	0	0	0	123.9
412	Q	28.1	Very low	28.7	Very low	198 Å²	198	150 Å²	150	93%	0.925	79%	0.794	S	S	*	*			trans	62.8	134.7	131.6	-64.7	178.8	-25.7	0	0	121.2
413	G	27	Very low	28.8	Very low	76 Å²	76	147.5 Å²	147.5	78%	0.784	79%	0.794	S	S	*	*			trans	164.2	70.2	175.5	0	0	0	0	0	115
414	D	28.1	Very low	28.6	Very low	144 Å²	144	146.2 Å²	146.2	77%	0.77	79%	0.793	S	S	*	*			trans	-31.8	134.8	-177.1	-47.9	-39.2	0	0	0	119.1
415	N	29.9	Very low	28.5	Very low	133 Å²	133	151.6 Å²	151.6	71%	0.711	80%	0.797	S	S	*	*				168.6	137.7	103.7	-92.4	-76.4	0	0	0	114.2
416	N	29.3	Very low	29.4	Very low	137 Å²	137	147.9 Å²	147.9	73%	0.733	79%	0.789	S	S	*	*			trans	30.3	125.2	151.3	-51.7	-49.6	0	0	0	119.5
417	L	29.1	Very low	29.1	Very low	163 Å²	163	149.6 Å²	149.6	85%	0.853	79%	0.792	S	S	*	*				-161.5	159	53.6	-161.9	69.4	0	0	0	112.4
418	N	29.9	Very low	29.2	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	78%	0.783	S	S	*	*			trans	-67	167.7	176.5	-59.5	-34.6	0	0	0	112.2
419	N	26.7	Very low	29.2	Very low	140 Å²	140	144.6 Å²	144.6	75%	0.749	78%	0.778	S	S	*	*			cis	-167.2	134.1	29.2	-153.5	6.9	0	0	0	112.6
420	Y	26.6	Very low	29.3	Very low	226 Å²	226	142.2 Å²	142.2	89%	0.886	77%	0.77	S	S	*	*			trans	-171.7	147	150.4	-97.7	-66.6	0	0	0	109.1
421	P	32.9	Very low	28.9	Very low	115 Å²	115	142.7 Å²	142.7	75%	0.747	77%	0.767	S	S	*	*			trans	-93.6	134.9	-159.3	34.8	-33.5	0	0	0	115.7
422	Q	25.3	Very low	29.2	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	77%	0.773	S	S	*	*			trans	-76.8	175.2	147.4	-64.4	177.8	-16	0	0	108.3
423	S	26.6	Very low	29.2	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	77%	0.768	S	S	*	*			cis	-162.1	-172.8	29	-167	0	0	0	0	111.2
424	A	26.6	Very low	29.1	Very low	76 Å²	76	146.3 Å²	146.3	63%	0.628	77%	0.772	S	S	*	*			trans	-143.4	152.1	176.6	0	0	0	0	0	112.9
425	R	31.4	Very low	29.1	Very low	237 Å²	237	147.7 Å²	147.7	89%	0.894	77%	0.771	S	S	*	*			trans	73.2	166	164.1	-59.2	175.6	-178.7	-166	-1.1	116.7
426	P	47.4	Very low	29.3	Very low	108 Å²	108	146.3 Å²	146.3	70%	0.701	77%	0.769	S	S	*	*			cis	-136	-164.4	-33.9	33.9	-14	0	0	0	114.1
427	L	25.9	Very low	29.1	Very low	143 Å²	143	146.3 Å²	146.3	75%	0.749	77%	0.769	S	S	*	*			trans	114.5	101.9	155.4	-72.1	131.2	0	0	0	119.2
428	D	26.6	Very low	29.1	Very low	139 Å²	139	146 Å²	146	74%	0.743	77%	0.767	S	S	*	*				48.4	130	119.7	-49.4	-20.2	0	0	0	124.8
429	E	28.1	Very low	29	Very low	172 Å²	172	145.3 Å²	145.3	80%	0.804	77%	0.771	S	S	*	*			trans	70.4	111	134.6	-90.1	-170.5	-167	0	0	124.4
430	L	29.1	Very low	29.1	Very low	133 Å²	133	147 Å²	147	70%	0.696	77%	0.774	S	S	*	*				160.3	151.2	98.2	-96.6	156.2	0	0	0	117
431	N	26.2	Very low	29.1	Very low	125 Å²	125	142.8 Å²	142.8	67%	0.668	77%	0.772	S	S	*	*			trans	62	115.5	160.4	-59.9	-37.9	0	0	0	120.7
432	I	33.5	Very low	29	Very low	150 Å²	150	146.2 Å²	146.2	77%	0.769	78%	0.779	S	S	*	*				75.4	116.3	51.5	-60.7	173.6	0	0	0	112.1
433	P	27.1	Very low	29	Very low	129 Å²	129	143.7 Å²	143.7	84%	0.838	78%	0.779	S	S	*	*				-141.6	-178.6	84	39.3	-21.8	0	0	0	117.3
434	L	25.1	Very low	29.2	Very low	163 Å²	163	145 Å²	145	85%	0.853	78%	0.782	S	S	*	*			trans	-137.1	161.4	-166.6	-115	168.5	0	0	0	112.1
435	K	27.5	Very low	29.6	Very low	174 Å²	174	147.2 Å²	147.2	76%	0.757	79%	0.788	S	S	*	*			trans	71	163.1	165.4	-86.8	-160.2	170.6	-155.1	0	117.8
436	P	34.9	Very low	29.4	Very low	104 Å²	104	146.7 Å²	146.7	68%	0.675	79%	0.788	S	S	*	*			cis	-129.7	164	10.8	42.2	-26.8	0	0	0	119
437	D	25.1	Very low	28.6	Very low	137 Å²	137	150 Å²	150	73%	0.733	80%	0.799	S	S	*	*			trans	68.7	152	144.5	-55.8	-15.2	0	0	0	125.2
438	L	28.2	Very low	28.8	Very low	155 Å²	155	150 Å²	150	81%	0.812	80%	0.8	S	S	*	*			trans	-90.5	168.8	175.7	-91.1	96.5	0	0	0	111.7
439	P	29	Very low	29.1	Very low	129 Å²	129	150.7 Å²	150.7	84%	0.838	80%	0.803	S	S	*	*				-132.3	172.7	102.3	37	-28.1	0	0	0	114.5
440	E	27.1	Very low	29.4	Very low	174 Å²	174	150.3 Å²	150.3	81%	0.813	81%	0.806	S	S	*	*			trans	-81	136.2	-174.7	-54.3	161.7	122.4	0	0	113.3
441	T	27.6	Very low	29.3	Very low	138 Å²	138	149.3 Å²	149.3	85%	0.847	81%	0.805	S	S	*	*			trans	-174.2	165.8	134.7	11.2	0	0	0	0	111.4
442	E	29.9	Very low	29.5	Very low	188 Å²	188	151.3 Å²	151.3	88%	0.879	82%	0.815	S	S	*	*			trans	57.1	67.3	165.5	-66.9	-176.9	-168.9	0	0	118.9
443	C	26.6	Very low	29.3	Very low	128 Å²	128	152.8 Å²	152.8	87%	0.865	82%	0.816	S	S	*	*			trans	-148.6	50.3	151.7	-141.5	0	0	0	0	113.2
444	V	30.4	Very low	29.3	Very low	143 Å²	143	152.8 Å²	152.8	87%	0.867	82%	0.816	S	S	*	*			trans	-124.4	45.2	177.7	-163.3	0	0	0	0	111
445	T	34.1	Very low	29.5	Very low	122 Å²	122	154 Å²	154	75%	0.748	82%	0.817	S	S	*	*	S	Bend	trans	-149.1	64.4	176	51.9	0	0	0	0	111.8
446	Y	28.8	Very low	29.5	Very low	226 Å²	226	151.4 Å²	151.4	89%	0.886	82%	0.818	S	S	*	*	S	Bend	trans	-168.3	30.3	153.9	-110.7	-65.5	0	0	0	114.9
447	L	29.9	Very low	29.1	Very low	179 Å²	179	157.4 Å²	157.4	94%	0.937	83%	0.829	S	S	*	*	S	Bend	trans	-133	32	175.8	-146.1	90	0	0	0	113.7
448	D	29.6	Very low	29.2	Very low	143 Å²	143	159.1 Å²	159.1	77%	0.765	83%	0.832	S	S	*	*			trans	-133.1	43.6	-172.8	-144.1	-4.3	0	0	0	111.9
449	N	33.8	Very low	29.3	Very low	153 Å²	153	157.4 Å²	157.4	82%	0.818	83%	0.831	S	S	*	*			trans	-141.7	70.4	-177.7	-107.8	-33.2	0	0	0	111.4
450	L	33.1	Very low	29.3	Very low	164 Å²	164	159.7 Å²	159.7	86%	0.859	83%	0.83	S	S	*	*			trans	-168.9	43.2	151.7	-107.9	168.6	0	0	0	113.1
451	T	28.1	Very low	29.4	Very low	112 Å²	112	156 Å²	156	69%	0.687	82%	0.821	S	S	*	*			trans	-103	89.9	177.4	-47.9	0	0	0	0	111.1	K453	T451-K453 PolarHBondContact O-N 2.94Å; T451-K453 VanDerWaalsContact O-N 3.09Å
452	L	29.8	Very low	29.6	Very low	166 Å²	166	157.2 Å²	157.2	87%	0.869	82%	0.823	S	S	*	*			trans	-66.7	105.1	175.8	-77.8	166	0	0	0	111.2
453	K	29.2	Very low	29.4	Very low	182 Å²	182	157.9 Å²	157.9	79%	0.791	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84	146	165	-77	-176.3	177.1	174.4	0	110.4	T451	T451-K453 PolarHBondContact O-N 2.94Å; T451-K453 VanDerWaalsContact O-N 3.09Å
454	P	28.1	Very low	29.5	Very low	128 Å²	128	158.6 Å²	158.6	83%	0.831	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.7	140.4	-175.4	29	-35.4	0	0	0	112.2
455	Q	27.7	Very low	29.8	Very low	189 Å²	189	157.8 Å²	157.8	88%	0.883	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-92.6	154.5	165.8	-83.7	-163.4	-10.6	0	0	111.4
456	P	28	Very low	29.7	Very low	119 Å²	119	156.6 Å²	156.6	77%	0.773	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.9	153.5	-169.5	32.1	-36.4	0	0	0	113.7
457	Y	27.3	Very low	30.1	Very low	231 Å²	231	151.2 Å²	151.2	91%	0.906	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-59.9	136.8	169.3	-114.3	-112.8	0	0	0	111.8
458	Q	27.1	Very low	30.3	Very low	172 Å²	172	150.1 Å²	150.1	80%	0.804	80%	0.803	S	S	*	*			trans	-131	150.8	151.7	-76.9	-160.1	-25.8	0	0	109.8
459	P	29.9	Very low	30.6	Very low	120 Å²	120	148.6 Å²	148.6	78%	0.779	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-81.6	133.9	-164.5	-10.3	28.6	0	0	0	112.6
460	Q	28.6	Very low	31	Very low	177 Å²	177	145.6 Å²	145.6	83%	0.827	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82.6	149.9	154.2	-79.2	-73.2	-71	0	0	109.1
461	P	30.6	Very low	31.4	Very low	95 Å²	95	142 Å²	142	62%	0.617	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-75.4	159.3	-168.2	31	-36.7	0	0	0	113.8	F463	P461-F463 PolarHBondContact O-N 2.93Å
462	D	30.9	Very low	32.1	Very low	165 Å²	165	144.3 Å²	144.3	88%	0.882	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57.6	123.8	-179.5	-56.6	-77.5	0	0	0	112.9
463	F	25.6	Very low	33.5	Very low	201 Å²	201	142 Å²	142	88%	0.882	77%	0.772	S	S	*	*			trans	-113.3	116.1	161.6	-104.1	-92.9	0	0	0	110	P461	P461-F463 PolarHBondContact O-N 2.93Å
464	N	28.5	Very low	35.2	Very low	143 Å²	143	135.3 Å²	135.3	77%	0.765	74%	0.744	S	S	*	*			trans	-75.6	142	-175.5	-139.7	6.4	0	0	0	110.2	S466	N464-S466 PolarHBondContact O-N 3.46Å; N464-S466 VanDerWaalsContact O-N 3.1Å
465	P	37.6	Very low	37.7	Very low	126 Å²	126	130.2 Å²	130.2	82%	0.818	72%	0.715	S	S	*	*			trans	-82.4	95.2	-170.4	31.9	-33.4	0	0	0	112.1
466	S	32.2	Very low	40.4	Very low	97 Å²	97	124.1 Å²	124.1	68%	0.678	69%	0.691	S	S	*	*			trans	-152.8	128.4	171.4	58.9	0	0	0	0	113.6	N464	N464-S466 PolarHBondContact O-N 3.46Å; N464-S466 VanDerWaalsContact O-N 3.1Å
467	S	37.5	Very low	43.2	Very low	113 Å²	113	118.4 Å²	118.4	79%	0.79	66%	0.655	S	S	*	*			trans	54.2	75.2	164.7	59.9	0	0	0	0	117.6
468	D	32.5	Very low	46	Very low	156 Å²	156	108.1 Å²	108.1	83%	0.834	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-61.7	145.6	139.4	-74.3	-55.5	0	0	0	109.7
469	P	36.3	Very low	48.8	Very low	111 Å²	111	104.7 Å²	104.7	72%	0.721	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-67.3	141.2	175.2	28.9	-34.1	0	0	0	110.5	D471	P469-D471 PolarHBondContact O-N 2.83Å
470	P	42.4	Very low	51.7	Low	91 Å²	91	100.6 Å²	100.6	59%	0.591	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-66.6	124.6	-179.6	27.5	-34	0	0	0	110.4	L472	P470-L472 PolarHBondContact O-N 3.21Å
471	D	41	Very low	54.6	Low	87 Å²	87	92.5 Å²	92.5	47%	0.465	53%	0.528	S	S	.	.			trans	-54.8	112.9	175	-175	-13.6	0	0	0	110.3	P469 T473 R479	P469-D471 PolarHBondContact O-N 2.83Å; D471-T473 VanDerWaalsContact CG-OG1 3.27Å; D471-T473 PolarHBondContact O-N 3.13Å; D471-T473 WeakPolarHBondContact OD1-CB 3.44Å; D471-T473 WeakPolarHBondContact OD1-CG2 3.27Å; D471-T473 PolarHBondContact OD1-N 3.43Å; D471-T473 PolarHBondContact OD1-OG1 2.91Å; D471-T473 PolarHBondContact OD2-OG1 2.73Å; D471-R479 PolarHBondContact O-NH2 3.05Å
472	L	44.1	Very low	57.3	Low	162 Å²	162	90.9 Å²	90.9	85%	0.848	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-3.2	-175.7	-75.7	167.2	0	0	0	113.2	P470	P470-L472 PolarHBondContact O-N 3.21Å
473	T	57.9	Low	60	Low	117 Å²	117	88.7 Å²	88.7	72%	0.718	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-26.4	178.4	68.9	0	0	0	0	113.7	D471	D471-T473 VanDerWaalsContact CG-OG1 3.27Å; D471-T473 PolarHBondContact O-N 3.13Å; D471-T473 WeakPolarHBondContact OD1-CB 3.44Å; D471-T473 WeakPolarHBondContact OD1-CG2 3.27Å; D471-T473 PolarHBondContact OD1-N 3.43Å; D471-T473 PolarHBondContact OD1-OG1 2.91Å; D471-T473 PolarHBondContact OD2-OG1 2.73Å
474	L	65.8	Low	63.1	Low	42 Å²	42	81.9 Å²	81.9	22%	0.22	48%	0.484	C	S	.	.	S	Bend	trans	-80.3	127.8	-179.1	-97.3	71.5	0	0	0	112.7	A478	L474-A478 HydrophobicContact CB-CB 4.45Å; L474-A478 HydrophobicContact CD2-CB 4.21Å; L474-A478 HydrophobicContact CG-CB 4.13Å
475	G	80.3	Confident	66.1	Low	20 Å²	20	78.4 Å²	78.4	21%	0.206	46%	0.46	C	S	.	.			trans	-64.5	164.4	171.8	0	0	0	0	0	113.8	V477 A478 R479 E540	G475-V477 VanDerWaalsContact C-N 3.34Å; G475-V477 PolarHBondContact O-N 2.77Å; G475-A478 PolarHBondContact O-N 3.24Å; G475-R479 WeakPolarHBondContact O-CB 3.48Å; G475-R479 PolarHBondContact O-N 3.44Å; G475-E540 WeakPolarHBondContact CA-OE2 3.24Å
476	P	84.6	Confident	68.6	Low	61 Å²	61	76.9 Å²	76.9	40%	0.396	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-36.5	-172.7	23.6	-33.3	0	0	0	113.3	W480 E540 E564	P476-W480 WeakPolarHBondContact O-CB 3.4Å; P476-W480 PolarHBondContact O-N 2.77Å; P476-E540 VanDerWaalsContact CD-OE1 3.31Å; P476-E540 WeakPolarHBondContact CD-OE1 3.36Å; P476-E540 WeakPolarHBondContact CG-OE1 3.48Å; P476-E564 WeakPolarHBondContact CB-OE1 3.48Å; P476-E564 HydrophobicContact CG-CG 4.43Å
477	V	86.1	Confident	71.4	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-77	-40.6	178.9	-175.4	0	0	0	0	110.8	G475 R479 W480 I481 E540 C543 R544 V547 P562	G475-V477 VanDerWaalsContact C-N 3.34Å; G475-V477 PolarHBondContact O-N 2.77Å; V477-R479 VanDerWaalsContact C-N 3.32Å; V477-R479 PolarHBondContact O-N 3.35Å; V477-W480 PolarHBondContact O-N 2.88Å; V477-I481 WeakPolarHBondContact O-CG1 3.29Å; V477-I481 PolarHBondContact O-N 2.96Å; V477-E540 WeakPolarHBondContact CB-OE1 3.46Å; V477-E540 VanDerWaalsContact CG2-OE1 3.3Å; V477-E540 WeakPolarHBondContact CG2-OE1 3.44Å; V477-E540 PolarHBondContact N-OE1 3.46Å; V477-E540 PolarHBondContact N-OE2 2.86Å; V477-C543 HydrophobicContact CB-CB 4.27Å; V477-C543 HydrophobicContact CG1-CB 3.95Å; V477-R544 HydrophobicContact CB-CG 4.24Å; V477-R544 HydrophobicContact CG1-CG 4.36Å; V477-R544 HydrophobicContact CG2-CG 3.89Å; V477-V547 HydrophobicContact CG1-CB 3.93Å; V477-V547 HydrophobicContact CG1-CG2 3.59Å; V477-P562 HydrophobicContact CG1-CG 4.42Å; V477-P562 HydrophobicContact CG2-CB 4Å; V477-P562 HydrophobicContact CG2-CG 4.2Å
478	A	86.4	Confident	73.9	Confident	15 Å²	15	70.8 Å²	70.8	12%	0.124	39%	0.393	C	S	.	.	H	α-helix	trans	-57.2	-44.2	171.5	0	0	0	0	0	112.2	L474 G475 W480 I481 A482 E540 C543	L474-A478 HydrophobicContact CB-CB 4.45Å; L474-A478 HydrophobicContact CD2-CB 4.21Å; L474-A478 HydrophobicContact CG-CB 4.13Å; G475-A478 PolarHBondContact O-N 3.24Å; A478-W480 PolarHBondContact O-N 3.3Å; A478-I481 PolarHBondContact O-N 3.47Å; A478-A482 PolarHBondContact O-N 3.27Å; A478-A482 VanDerWaalsContact O-N 3.1Å; A478-E540 PolarHBondContact N-OE2 3.24Å; A478-C543 HydrophobicContact CB-CB 4.39Å
479	R	86.6	Confident	76.8	Confident	99 Å²	99	63.5 Å²	63.5	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-37.9	177.3	-168.8	178.3	-69.4	166	-2	112.4	D471 G475 V477 A482 V483	D471-R479 PolarHBondContact O-NH2 3.05Å; G475-R479 WeakPolarHBondContact O-CB 3.48Å; G475-R479 PolarHBondContact O-N 3.44Å; V477-R479 VanDerWaalsContact C-N 3.32Å; V477-R479 PolarHBondContact O-N 3.35Å; R479-A482 PolarHBondContact O-N 3.47Å; R479-V483 WeakPolarHBondContact O-CG2 3.46Å; R479-V483 PolarHBondContact O-N 3.18Å; R479-V483 VanDerWaalsContact O-N 3.17Å
480	W	89.8	Confident	79.3	Confident	34 Å²	34	62.3 Å²	62.3	13%	0.129	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-41	174.3	-177.3	103.5	0	0	0	112.3	P476 V477 A478 V483 R484 I488 V547 L550 L558 P560 Y561 P562	P476-W480 WeakPolarHBondContact O-CB 3.4Å; P476-W480 PolarHBondContact O-N 2.77Å; V477-W480 PolarHBondContact O-N 2.88Å; A478-W480 PolarHBondContact O-N 3.3Å; W480-V483 PolarHBondContact O-N 3.47Å; W480-R484 VanDerWaalsContact NE1-NH1 3.2Å; W480-R484 PolarHBondContact O-N 2.81Å; W480-I488 HydrophobicContact CE3-CD1 4.43Å; W480-I488 HydrophobicContact CZ3-CD1 3.87Å; W480-I488 HydrophobicContact CZ3-CG1 4.47Å; W480-V547 HydrophobicContact CE3-CG1 4.06Å; W480-V547 HydrophobicContact CE3-CG2 3.83Å; W480-V547 HydrophobicContact CH2-CG1 3.94Å; W480-V547 HydrophobicContact CZ2-CG1 4.49Å; W480-V547 HydrophobicContact CZ3-CB 4.41Å; W480-V547 HydrophobicContact CZ3-CG1 3.71Å; W480-V547 HydrophobicContact CZ3-CG2 3.76Å; W480-L550 HydrophobicContact CH2-CD1 4.39Å; W480-L550 HydrophobicContact CZ3-CD1 4.06Å; W480-L558 HydrophobicContact CH2-CB 4.18Å; W480-L558 HydrophobicContact CZ2-CB 4.5Å; W480-L558 VanDerWaalsContact CZ2-O 3.29Å; W480-L558 WeakPolarHBondContact CZ2-O 3.45Å; W480-P560 PolarHBondContact NE1-O 3.4Å; W480-Y561 AromaticContact CH2-CD1 3.73Å; W480-Y561 HydrophobicContact CH2-CD1 3.73Å; W480-Y561 AromaticContact CH2-CE1 3.79Å; W480-Y561 HydrophobicContact CH2-CE1 3.79Å; W480-Y561 AromaticContact CZ2-CD1 3.71Å; W480-Y561 HydrophobicContact CZ2-CD1 3.71Å; W480-Y561 HydrophobicContact CZ2-CE1 4.13Å; W480-Y561 HydrophobicContact CZ2-CG 4.36Å; W480-P562 HydrophobicContact CB-CG 3.94Å; W480-P562 HydrophobicContact CD2-CG 3.87Å; W480-P562 HydrophobicContact CG-CG 3.6Å
481	I	90	Very high	81.5	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-45.7	175.1	-67.7	170.3	0	0	0	110.5	V477 A478 V483 R484 R485 I488 L532 C535 C543 V547	V477-I481 WeakPolarHBondContact O-CG1 3.29Å; V477-I481 PolarHBondContact O-N 2.96Å; A478-I481 PolarHBondContact O-N 3.47Å; I481-V483 PolarHBondContact O-N 3.37Å; I481-R484 CarbonylContact O-C 3.59Å; I481-R484 PolarHBondContact O-N 3.14Å; I481-R485 WeakPolarHBondContact O-CA 3.26Å; I481-R485 PolarHBondContact O-N 3.08Å; I481-I488 HydrophobicContact CG2-CD1 4.24Å; I481-L532 HydrophobicContact CG2-CD2 3.85Å; I481-C535 HydrophobicContact CD1-CB 4.31Å; I481-C535 HydrophobicContact CG2-CB 4.49Å; I481-C543 HydrophobicContact CD1-CB 3.61Å; I481-V547 HydrophobicContact CD1-CG2 3.74Å; I481-V547 HydrophobicContact CG1-CG2 3.5Å
482	A	87.3	Confident	84	Confident	62 Å²	62	56.4 Å²	56.4	51%	0.512	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-45.2	-179.4	0	0	0	0	0	112.1	A478 R479 R484	A478-A482 PolarHBondContact O-N 3.27Å; A478-A482 VanDerWaalsContact O-N 3.1Å; R479-A482 PolarHBondContact O-N 3.47Å; A482-R484 VanDerWaalsContact C-N 3.34Å; A482-R484 PolarHBondContact O-N 3.12Å
483	V	88.6	Confident	86.3	Confident	119 Å²	119	51.7 Å²	51.7	72%	0.721	29%	0.288	S	S	*	.	H	α-helix	trans	-66	-32.6	179.7	172.7	0	0	0	0	112.8	R479 W480 I481	R479-V483 WeakPolarHBondContact O-CG2 3.46Å; R479-V483 PolarHBondContact O-N 3.18Å; R479-V483 VanDerWaalsContact O-N 3.17Å; W480-V483 PolarHBondContact O-N 3.47Å; I481-V483 PolarHBondContact O-N 3.37Å
484	R	89.6	Confident	87.8	Confident	57 Å²	57	50.2 Å²	50.2	22%	0.215	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	19.5	-177.5	-66.4	-168.7	178	154.9	8.6	114.4	W480 I481 A482 E486 D487 I488 L558 P560	W480-R484 VanDerWaalsContact NE1-NH1 3.2Å; W480-R484 PolarHBondContact O-N 2.81Å; I481-R484 CarbonylContact O-C 3.59Å; I481-R484 PolarHBondContact O-N 3.14Å; A482-R484 VanDerWaalsContact C-N 3.34Å; A482-R484 PolarHBondContact O-N 3.12Å; R484-E486 PolarHBondContact O-N 2.96Å; R484-D487 HydrophobicContact CB-CB 4.45Å; R484-D487 WeakPolarHBondContact O-CB 3.46Å; R484-D487 PolarHBondContact O-N 3.02Å; R484-D487 VanDerWaalsContact O-N 3.14Å; R484-I488 HydrophobicContact CB-CD1 4.2Å; R484-I488 HydrophobicContact CB-CG1 4.35Å; R484-I488 VanDerWaalsContact O-CG1 3.28Å; R484-I488 WeakPolarHBondContact O-CG1 3.27Å; R484-I488 PolarHBondContact O-N 3.46Å; R484-L558 PolarHBondContact NH1-O 3.01Å; R484-P560 PolarHBondContact NH1-O 3.06Å
485	R	91.7	Very high	88.9	Confident	70 Å²	70	50.8 Å²	50.8	26%	0.264	28%	0.284	S	S	.	.	H	α-helix	trans	-50.5	-49.9	-170	-178.5	174.6	170.9	125.4	2.7	113.4	I481 I488 V489 L532 D533	I481-R485 WeakPolarHBondContact O-CA 3.26Å; I481-R485 PolarHBondContact O-N 3.08Å; R485-I488 PolarHBondContact O-N 3.19Å; R485-V489 VanDerWaalsContact O-CG2 3.28Å; R485-V489 WeakPolarHBondContact O-CG2 3.46Å; R485-V489 PolarHBondContact O-N 3.44Å; R485-L532 HydrophobicContact CG-CD1 3.85Å; R485-D533 IonicContact CZ-OD1 3.87Å; R485-D533 IonicContact NH1-OD1 2.77Å; R485-D533 PolarHBondContact NH1-OD1 3.41Å; R485-D533 IonicContact NH2-OD1 3.61Å; R485-D533 PolarHBondContact NH2-OD1 3.29Å; R485-D533 IonicContact NH2-OD2 3.45Å; R485-D533 PolarHBondContact NH2-OD2 2.92Å
486	E	90.8	Very high	89.5	Confident	95 Å²	95	49.9 Å²	49.9	44%	0.444	27%	0.274	S	S	.	.	H	α-helix	trans	-78.3	-28.8	-176.3	-67.9	-63	124.3	0	0	113.2	R484 I488 V489 S490 R529	R484-E486 PolarHBondContact O-N 2.96Å; E486-I488 VanDerWaalsContact C-N 3.32Å; E486-I488 PolarHBondContact O-N 3.12Å; E486-V489 PolarHBondContact O-N 3.35Å; E486-S490 WeakPolarHBondContact O-CB 3.49Å; E486-S490 PolarHBondContact O-N 3.49Å; E486-R529 IonicContact OE1-CZ 3.71Å; E486-R529 IonicContact OE1-NE 3.44Å; E486-R529 PolarHBondContact OE1-NE 3.5Å; E486-R529 IonicContact OE1-NH2 3.68Å; E486-R529 IonicContact OE2-CZ 2.83Å; E486-R529 IonicContact OE2-NE 2.73Å; E486-R529 PolarHBondContact OE2-NE 3.03Å; E486-R529 IonicContact OE2-NH2 2.65Å; E486-R529 PolarHBondContact OE2-NH2 3.47Å
487	D	89.2	Confident	90	Very high	82 Å²	82	47 Å²	47	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-42.1	169	-62.9	-51.1	0	0	0	110.9	R484 S490 Q491 L558	R484-D487 HydrophobicContact CB-CB 4.45Å; R484-D487 WeakPolarHBondContact O-CB 3.46Å; R484-D487 PolarHBondContact O-N 3.02Å; R484-D487 VanDerWaalsContact O-N 3.14Å; D487-S490 PolarHBondContact O-N 3.21Å; D487-Q491 WeakPolarHBondContact O-CB 3.41Å; D487-Q491 WeakPolarHBondContact O-CG 3.47Å; D487-Q491 PolarHBondContact O-N 2.96Å; D487-L558 HydrophobicContact CB-CD2 3.6Å
488	I	91.9	Very high	90.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-44.8	176.3	-62.1	163.4	0	0	0	109.9	W480 I481 R484 R485 E486 S490 Q491 M492 V528 L532 L550 L558	W480-I488 HydrophobicContact CE3-CD1 4.43Å; W480-I488 HydrophobicContact CZ3-CD1 3.87Å; W480-I488 HydrophobicContact CZ3-CG1 4.47Å; I481-I488 HydrophobicContact CG2-CD1 4.24Å; R484-I488 HydrophobicContact CB-CD1 4.2Å; R484-I488 HydrophobicContact CB-CG1 4.35Å; R484-I488 VanDerWaalsContact O-CG1 3.28Å; R484-I488 WeakPolarHBondContact O-CG1 3.27Å; R484-I488 PolarHBondContact O-N 3.46Å; R485-I488 PolarHBondContact O-N 3.19Å; E486-I488 VanDerWaalsContact C-N 3.32Å; E486-I488 PolarHBondContact O-N 3.12Å; I488-S490 VanDerWaalsContact C-N 3.27Å; I488-S490 PolarHBondContact O-N 3.42Å; I488-Q491 PolarHBondContact O-N 3.41Å; I488-M492 HydrophobicContact CG2-CB 4.34Å; I488-M492 WeakPolarHBondContact O-CB 3.12Å; I488-M492 PolarHBondContact O-N 3.39Å; I488-V528 HydrophobicContact CG2-CG1 4.38Å; I488-L532 HydrophobicContact CB-CD1 4.05Å; I488-L532 HydrophobicContact CG2-CD1 3.91Å; I488-L532 HydrophobicContact CG2-CD2 4.24Å; I488-L550 HydrophobicContact CD1-CD1 4.15Å; I488-L550 HydrophobicContact CG1-CD1 4.05Å; I488-L550 HydrophobicContact CG2-CD1 3.97Å; I488-L550 HydrophobicContact CG2-CD2 3.95Å; I488-L558 HydrophobicContact CG1-CD1 4.07Å; I488-L558 HydrophobicContact CG1-CD2 3.96Å
489	V	93	Very high	90.6	Very high	3 Å²	3	53 Å²	53	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-38.1	176.1	174.5	0	0	0	0	112.2	R485 E486 R524 T525 V528 R529 L532	R485-V489 VanDerWaalsContact O-CG2 3.28Å; R485-V489 WeakPolarHBondContact O-CG2 3.46Å; R485-V489 PolarHBondContact O-N 3.44Å; E486-V489 PolarHBondContact O-N 3.35Å; V489-R524 PolarHBondContact O-NH2 2.87Å; V489-T525 HydrophobicContact CG1-CG2 3.88Å; V489-V528 HydrophobicContact CB-CG1 4.42Å; V489-V528 HydrophobicContact CG2-CG1 3.99Å; V489-R529 HydrophobicContact CB-CG 4.41Å; V489-R529 HydrophobicContact CG1-CG 4.06Å; V489-R529 HydrophobicContact CG2-CG 3.42Å; V489-R529 VanDerWaalsContact CG2-CG 3.42Å; V489-L532 HydrophobicContact CG2-CD1 4.04Å
490	S	88.3	Confident	90.9	Very high	85 Å²	85	48.3 Å²	48.3	59%	0.594	27%	0.266	S	S	*	.	H	α-helix	trans	-70.4	-46.3	177.1	-172.4	0	0	0	0	112.7	E486 D487 I488 R524	E486-S490 WeakPolarHBondContact O-CB 3.49Å; E486-S490 PolarHBondContact O-N 3.49Å; D487-S490 PolarHBondContact O-N 3.21Å; I488-S490 VanDerWaalsContact C-N 3.27Å; I488-S490 PolarHBondContact O-N 3.42Å; S490-R524 PolarHBondContact O-NH2 3.34Å
491	Q	89.1	Confident	91.1	Very high	55 Å²	55	46.9 Å²	46.9	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-91.6	-22.7	-171.3	-64.4	-177.3	59.1	0	0	115	D487 I488 T493 G557 L558	D487-Q491 WeakPolarHBondContact O-CB 3.41Å; D487-Q491 WeakPolarHBondContact O-CG 3.47Å; D487-Q491 PolarHBondContact O-N 2.96Å; I488-Q491 PolarHBondContact O-N 3.41Å; Q491-T493 PolarHBondContact O-N 3.31Å; Q491-T493 VanDerWaalsContact O-N 3.15Å; Q491-G557 VanDerWaalsContact NE2-C 3.26Å; Q491-G557 PolarHBondContact NE2-O 2.87Å; Q491-L558 HydrophobicContact CB-CD1 4.48Å; Q491-L558 HydrophobicContact CB-CG 4.4Å
492	M	92.6	Very high	91.1	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.			trans	-69.5	113.3	-176.7	-167.2	-179.1	-152.2	0	0	111.2	I488 C496 L497 S500 R524 V528 L531 L550	I488-M492 HydrophobicContact CG2-CB 4.34Å; I488-M492 WeakPolarHBondContact O-CB 3.12Å; I488-M492 PolarHBondContact O-N 3.39Å; M492-C496 HydrophobicContact CG-CB 4.19Å; M492-L497 HydrophobicContact CE-CB 4.48Å; M492-L497 HydrophobicContact SD-CB 4.37Å; M492-L497 HydrophobicContact SD-CD1 4.42Å; M492-S500 WeakPolarHBondContact CE-OG 3.34Å; M492-R524 WeakPolarHBondContact O-CD 3.49Å; M492-R524 VanDerWaalsContact O-CZ 3.23Å; M492-R524 PolarHBondContact O-NE 3.43Å; M492-R524 PolarHBondContact O-NH2 3.04Å; M492-V528 HydrophobicContact CB-CG1 4.13Å; M492-V528 HydrophobicContact CB-CG2 4.04Å; M492-V528 HydrophobicContact CG-CG2 4.14Å; M492-V528 HydrophobicContact SD-CB 4.36Å; M492-V528 HydrophobicContact SD-CG1 3.71Å; M492-V528 HydrophobicContact SD-CG2 3.77Å; M492-L531 HydrophobicContact CE-CD2 4.15Å; M492-L550 HydrophobicContact CB-CD2 4.21Å; M492-L550 HydrophobicContact CE-CD2 3.78Å; M492-L550 HydrophobicContact CG-CD2 3.86Å; M492-L550 HydrophobicContact SD-CD2 4.04Å
493	T	92.3	Very high	91.2	Very high	63 Å²	63	48.7 Å²	48.7	39%	0.387	26%	0.264	S	S	.	.			trans	-74.2	156.6	177.4	63.8	0	0	0	0	111.4	Q491 A495 C496 L497	Q491-T493 PolarHBondContact O-N 3.31Å; Q491-T493 VanDerWaalsContact O-N 3.15Å; T493-A495 VanDerWaalsContact C-N 3.26Å; T493-A495 PolarHBondContact O-N 3.17Å; T493-C496 WeakPolarHBondContact O-CB 3.34Å; T493-C496 PolarHBondContact O-N 3.4Å; T493-C496 VanDerWaalsContact O-N 3.07Å; T493-C496 VanDerWaalsContact OG1-CB 3.29Å; T493-C496 WeakPolarHBondContact OG1-CB 3.39Å; T493-C496 PolarHBondContact OG1-N 3.27Å; T493-L497 PolarHBondContact O-N 3.48Å
494	E	90.3	Very high	91.4	Very high	85 Å²	85	43 Å²	43	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-31.2	178.9	-169.3	154.1	-145.2	0	0	112.3	L497 N498 R524 K527	E494-L497 PolarHBondContact O-N 3.2Å; E494-N498 WeakPolarHBondContact O-CB 3.3Å; E494-N498 PolarHBondContact O-N 2.75Å; E494-N498 PolarHBondContact O-OD1 2.71Å; E494-R524 HydrophobicContact CB-CG 4.22Å; E494-K527 IonicContact OE1-NZ 2.93Å; E494-K527 PolarHBondContact OE1-NZ 3.35Å
495	A	89.3	Confident	91.2	Very high	55 Å²	55	43.3 Å²	43.3	46%	0.455	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-41.5	170.2	0	0	0	0	0	112.5	T493 Q499	T493-A495 VanDerWaalsContact C-N 3.26Å; T493-A495 PolarHBondContact O-N 3.17Å; A495-Q499 WeakPolarHBondContact O-CB 3.48Å; A495-Q499 WeakPolarHBondContact O-CG 3.42Å; A495-Q499 PolarHBondContact O-N 3.32Å; A495-Q499 PolarHBondContact O-NE2 2.87Å
496	C	92.3	Very high	91	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-38.9	176.3	-178.7	0	0	0	0	112	M492 T493 S500 K549 N553 Q555	M492-C496 HydrophobicContact CG-CB 4.19Å; T493-C496 WeakPolarHBondContact O-CB 3.34Å; T493-C496 PolarHBondContact O-N 3.4Å; T493-C496 VanDerWaalsContact O-N 3.07Å; T493-C496 VanDerWaalsContact OG1-CB 3.29Å; T493-C496 WeakPolarHBondContact OG1-CB 3.39Å; T493-C496 PolarHBondContact OG1-N 3.27Å; C496-S500 WeakPolarHBondContact O-CB 3.21Å; C496-S500 PolarHBondContact O-N 2.71Å; C496-S500 PolarHBondContact O-OG 2.93Å; C496-K549 PolarHBondContact SG-O 3.46Å; C496-N553 HydrophobicContact CB-CB 3.93Å; C496-Q555 VanDerWaalsContact CB-NE2 3.27Å; C496-Q555 PolarHBondContact SG-NE2 3.06Å
497	L	93.9	Very high	90.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-54.6	173	172.5	64.8	0	0	0	110.9	M492 T493 E494 Q499 S500 L501 V518 K527 V528 L531	M492-L497 HydrophobicContact CE-CB 4.48Å; M492-L497 HydrophobicContact SD-CB 4.37Å; M492-L497 HydrophobicContact SD-CD1 4.42Å; T493-L497 PolarHBondContact O-N 3.48Å; E494-L497 PolarHBondContact O-N 3.2Å; L497-Q499 PolarHBondContact O-N 3.01Å; L497-S500 WeakPolarHBondContact O-CA 3.39Å; L497-S500 WeakPolarHBondContact O-CB 3.17Å; L497-S500 PolarHBondContact O-N 2.79Å; L497-L501 HydrophobicContact CD1-CD1 4.23Å; L497-L501 HydrophobicContact CD1-CG 4.37Å; L497-L501 HydrophobicContact CG-CD1 4.27Å; L497-L501 WeakPolarHBondContact O-CG 3.45Å; L497-L501 PolarHBondContact O-N 3.47Å; L497-V518 HydrophobicContact CD1-CG1 4.43Å; L497-K527 HydrophobicContact CD2-CB 3.53Å; L497-K527 HydrophobicContact CD2-CD 3.77Å; L497-K527 HydrophobicContact CD2-CG 4.3Å; L497-V528 HydrophobicContact CD1-CG2 4.23Å; L497-V528 HydrophobicContact CD2-CG2 4.23Å; L497-L531 HydrophobicContact CD1-CB 4.41Å; L497-L531 HydrophobicContact CD1-CD2 3.63Å
498	N	93	Very high	90.6	Very high	72 Å²	72	47.9 Å²	47.9	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-48.4	-179	-65	-4.6	0	0	0	110.8	E494 S500 L501 D502	E494-N498 WeakPolarHBondContact O-CB 3.3Å; E494-N498 PolarHBondContact O-N 2.75Å; E494-N498 PolarHBondContact O-OD1 2.71Å; N498-S500 PolarHBondContact O-N 2.72Å; N498-S500 VanDerWaalsContact O-N 3.11Å; N498-L501 PolarHBondContact O-N 3.14Å; N498-D502 WeakPolarHBondContact O-CB 3.37Å; N498-D502 PolarHBondContact O-N 3.14Å
499	Q	92.8	Very high	90.3	Very high	71 Å²	71	50 Å²	50	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-25.2	174.5	-70.5	170.2	37.7	0	0	114.1	A495 L497 A503 K549 N553	A495-Q499 WeakPolarHBondContact O-CB 3.48Å; A495-Q499 WeakPolarHBondContact O-CG 3.42Å; A495-Q499 PolarHBondContact O-N 3.32Å; A495-Q499 PolarHBondContact O-NE2 2.87Å; L497-Q499 PolarHBondContact O-N 3.01Å; Q499-A503 WeakPolarHBondContact O-CB 3.22Å; Q499-A503 PolarHBondContact O-N 3.35Å; Q499-A503 VanDerWaalsContact O-N 3.15Å; Q499-K549 HydrophobicContact CB-CD 4.11Å; Q499-N553 PolarHBondContact NE2-OD1 3.12Å; Q499-N553 PolarHBondContact OE1-ND2 3.37Å; Q499-N553 PolarHBondContact OE1-OD1 2.93Å
500	S	93.6	Very high	90.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-76.2	-45.6	174.6	-57.6	0	0	0	0	110.7	M492 C496 L497 N498 A503 L504 K549	M492-S500 WeakPolarHBondContact CE-OG 3.34Å; C496-S500 WeakPolarHBondContact O-CB 3.21Å; C496-S500 PolarHBondContact O-N 2.71Å; C496-S500 PolarHBondContact O-OG 2.93Å; L497-S500 WeakPolarHBondContact O-CA 3.39Å; L497-S500 WeakPolarHBondContact O-CB 3.17Å; L497-S500 PolarHBondContact O-N 2.79Å; N498-S500 PolarHBondContact O-N 2.72Å; N498-S500 VanDerWaalsContact O-N 3.11Å; S500-A503 PolarHBondContact O-N 3.49Å; S500-L504 WeakPolarHBondContact O-CB 3.39Å; S500-L504 WeakPolarHBondContact O-CD1 3.48Å; S500-L504 WeakPolarHBondContact O-CG 3.36Å; S500-L504 PolarHBondContact O-N 2.67Å; S500-K549 VanDerWaalsContact OG-CB 3.28Å; S500-K549 WeakPolarHBondContact OG-CB 3.46Å
501	L	92.8	Very high	89.9	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-48	174.7	-61.5	172	0	0	0	111	L497 N498 A503 L504 L505 L510 Y515 V518 V519 L531	L497-L501 HydrophobicContact CD1-CD1 4.23Å; L497-L501 HydrophobicContact CD1-CG 4.37Å; L497-L501 HydrophobicContact CG-CD1 4.27Å; L497-L501 WeakPolarHBondContact O-CG 3.45Å; L497-L501 PolarHBondContact O-N 3.47Å; N498-L501 PolarHBondContact O-N 3.14Å; L501-A503 VanDerWaalsContact C-N 3.33Å; L501-A503 PolarHBondContact O-N 3.24Å; L501-L504 PolarHBondContact O-N 3.18Å; L501-L505 WeakPolarHBondContact O-CB 3.45Å; L501-L505 WeakPolarHBondContact O-CG 3.4Å; L501-L505 PolarHBondContact O-N 3.14Å; L501-L510 HydrophobicContact CD2-CD2 3.57Å; L501-Y515 HydrophobicContact CB-CD2 4.13Å; L501-Y515 HydrophobicContact CB-CE2 4.01Å; L501-Y515 HydrophobicContact CD1-CD2 4.33Å; L501-Y515 HydrophobicContact CD1-CE2 4.11Å; L501-Y515 HydrophobicContact CD2-CD2 4.34Å; L501-Y515 HydrophobicContact CG-CD2 4.49Å; L501-V518 HydrophobicContact CD1-CG1 3.93Å; L501-V518 HydrophobicContact CD2-CB 4.38Å; L501-V518 HydrophobicContact CD2-CG1 4.01Å; L501-V518 HydrophobicContact CD2-CG2 4.49Å; L501-V519 HydrophobicContact CD1-CG2 4.24Å; L501-L531 HydrophobicContact CD2-CD1 4.02Å; L501-L531 HydrophobicContact CD2-CD2 4.38Å
502	D	90.1	Very high	89.3	Confident	92 Å²	92	53 Å²	53	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-56.6	-45.5	175.4	-61.8	-31.3	0	0	0	111.5	N498 L504 A506	N498-D502 WeakPolarHBondContact O-CB 3.37Å; N498-D502 PolarHBondContact O-N 3.14Å; D502-L504 VanDerWaalsContact C-N 3.3Å; D502-L504 PolarHBondContact O-N 2.79Å; D502-A506 WeakPolarHBondContact O-CB 3.23Å; D502-A506 PolarHBondContact O-N 3.21Å
503	A	90.3	Very high	89	Confident	14 Å²	14	58.5 Å²	58.5	12%	0.116	32%	0.323	C	S	.	.	H	α-helix	trans	-74.6	-15.5	-178.5	0	0	0	0	0	114.5	Q499 S500 L501 R507 V545 K549	Q499-A503 WeakPolarHBondContact O-CB 3.22Å; Q499-A503 PolarHBondContact O-N 3.35Å; Q499-A503 VanDerWaalsContact O-N 3.15Å; S500-A503 PolarHBondContact O-N 3.49Å; L501-A503 VanDerWaalsContact C-N 3.33Å; L501-A503 PolarHBondContact O-N 3.24Å; A503-R507 WeakPolarHBondContact O-CG 3.5Å; A503-R507 PolarHBondContact O-NH1 3.42Å; A503-V545 HydrophobicContact CB-CG1 3.85Å; A503-K549 HydrophobicContact CB-CG 4.4Å
504	L	92.4	Very high	88.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-89	-45.4	171.3	-70.7	164.9	0	0	0	111	S500 L501 D502 R507 S508 L509 L510 L531 F542 V545 V546	S500-L504 WeakPolarHBondContact O-CB 3.39Å; S500-L504 WeakPolarHBondContact O-CD1 3.48Å; S500-L504 WeakPolarHBondContact O-CG 3.36Å; S500-L504 PolarHBondContact O-N 2.67Å; L501-L504 PolarHBondContact O-N 3.18Å; D502-L504 VanDerWaalsContact C-N 3.3Å; D502-L504 PolarHBondContact O-N 2.79Å; L504-R507 CarbonylContact O-C 3.54Å; L504-R507 PolarHBondContact O-N 3.44Å; L504-R507 VanDerWaalsContact O-N 3.1Å; L504-S508 PolarHBondContact O-N 2.8Å; L504-S508 VanDerWaalsContact O-N 3.1Å; L504-L509 HydrophobicContact CB-CB 4.46Å; L504-L509 HydrophobicContact CD2-CB 3.83Å; L504-L509 HydrophobicContact CD2-CD1 4.18Å; L504-L509 PolarHBondContact O-N 3.29Å; L504-L510 HydrophobicContact CB-CB 3.73Å; L504-L510 HydrophobicContact CB-CD2 4.46Å; L504-L531 HydrophobicContact CD1-CD1 3.98Å; L504-F542 HydrophobicContact CD1-CD1 4.47Å; L504-F542 HydrophobicContact CD1-CD2 4.45Å; L504-F542 HydrophobicContact CD1-CE1 3.92Å; L504-F542 HydrophobicContact CD1-CE2 3.91Å; L504-F542 HydrophobicContact CD1-CZ 3.62Å; L504-F542 HydrophobicContact CD2-CB 4.4Å; L504-F542 HydrophobicContact CD2-CD1 4.2Å; L504-F542 HydrophobicContact CD2-CD2 3.7Å; L504-F542 HydrophobicContact CD2-CE1 4.43Å; L504-F542 HydrophobicContact CD2-CE2 3.98Å; L504-F542 HydrophobicContact CD2-CG 3.81Å; L504-F542 HydrophobicContact CD2-CZ 4.33Å; L504-F542 HydrophobicContact CG-CE2 4.48Å; L504-V545 HydrophobicContact CD2-CB 3.8Å; L504-V545 HydrophobicContact CD2-CG1 3.75Å; L504-V545 HydrophobicContact CD2-CG2 4.46Å; L504-V545 HydrophobicContact CG-CB 4.45Å; L504-V545 HydrophobicContact CG-CG1 3.87Å; L504-V546 HydrophobicContact CD1-CG2 3.99Å
505	L	86.8	Confident	88.7	Confident	63 Å²	63	55.4 Å²	55.4	33%	0.33	30%	0.302	S	S	.	.	H	α-helix	trans	-58.9	-46.8	173.8	-73	175.2	0	0	0	111.3	L501 R507 S508 L510 Y515	L501-L505 WeakPolarHBondContact O-CB 3.45Å; L501-L505 WeakPolarHBondContact O-CG 3.4Å; L501-L505 PolarHBondContact O-N 3.14Å; L505-R507 PolarHBondContact O-N 2.85Å; L505-S508 PolarHBondContact O-N 2.87Å; L505-L510 HydrophobicContact CD2-CB 4.41Å; L505-L510 HydrophobicContact CD2-CD2 4.46Å; L505-L510 HydrophobicContact CG-CD2 4.44Å; L505-Y515 HydrophobicContact CD1-CD2 3.71Å; L505-Y515 HydrophobicContact CD1-CE2 3.71Å; L505-Y515 HydrophobicContact CD1-CG 4.24Å; L505-Y515 HydrophobicContact CD2-CD2 4.46Å; L505-Y515 HydrophobicContact CD2-CG 4.42Å; L505-Y515 HydrophobicContact CG-CD2 4.29Å
506	A	86.5	Confident	88.7	Confident	90 Å²	90	57.6 Å²	57.6	74%	0.744	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-7	177.1	0	0	0	0	0	114.3	D502	D502-A506 WeakPolarHBondContact O-CB 3.23Å; D502-A506 PolarHBondContact O-N 3.21Å
507	R	86.8	Confident	88.6	Confident	145 Å²	145	61.5 Å²	61.5	55%	0.547	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	3.9	171.8	-70.3	-174.8	175.5	90.3	-2.9	113.2	A503 L504 L505 L509	A503-R507 WeakPolarHBondContact O-CG 3.5Å; A503-R507 PolarHBondContact O-NH1 3.42Å; L504-R507 CarbonylContact O-C 3.54Å; L504-R507 PolarHBondContact O-N 3.44Å; L504-R507 VanDerWaalsContact O-N 3.1Å; L505-R507 PolarHBondContact O-N 2.85Å; R507-L509 HydrophobicContact CB-CD1 3.85Å; R507-L509 HydrophobicContact CB-CG 3.88Å; R507-L509 PolarHBondContact O-N 3.06Å
508	S	85.9	Confident	88.4	Confident	109 Å²	109	61.5 Å²	61.5	76%	0.762	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	28.1	-172.2	-51.9	0	0	0	0	114	L504 L505	L504-S508 PolarHBondContact O-N 2.8Å; L504-S508 VanDerWaalsContact O-N 3.1Å; L505-S508 PolarHBondContact O-N 2.87Å
509	L	85.3	Confident	88.3	Confident	45 Å²	45	60.8 Å²	60.8	24%	0.236	32%	0.322	C	S	.	.			trans	-88.8	-15.3	178.3	-69.3	173.1	0	0	0	112.8	L504 R507 F542 V545	L504-L509 HydrophobicContact CB-CB 4.46Å; L504-L509 HydrophobicContact CD2-CB 3.83Å; L504-L509 HydrophobicContact CD2-CD1 4.18Å; L504-L509 PolarHBondContact O-N 3.29Å; R507-L509 HydrophobicContact CB-CD1 3.85Å; R507-L509 HydrophobicContact CB-CG 3.88Å; R507-L509 PolarHBondContact O-N 3.06Å; L509-F542 HydrophobicContact CB-CD2 4.23Å; L509-F542 WeakPolarHBondContact O-CD2 3.34Å; L509-F542 WeakPolarHBondContact O-CE2 3.43Å; L509-V545 HydrophobicContact CD1-CG2 3.89Å
510	L	87.3	Confident	88.2	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.042	34%	0.337	C	S	.	.	S	Bend	trans	-118.6	125.1	176.7	-178.2	68.5	0	0	0	109.1	L501 L504 L505 D514 Y515 F542	L501-L510 HydrophobicContact CD2-CD2 3.57Å; L504-L510 HydrophobicContact CB-CB 3.73Å; L504-L510 HydrophobicContact CB-CD2 4.46Å; L505-L510 HydrophobicContact CD2-CB 4.41Å; L505-L510 HydrophobicContact CD2-CD2 4.46Å; L505-L510 HydrophobicContact CG-CD2 4.44Å; L510-D514 HydrophobicContact CD1-CB 3.62Å; L510-Y515 HydrophobicContact CD2-CD2 3.99Å; L510-Y515 HydrophobicContact CD2-CG 4.41Å; L510-F542 HydrophobicContact CB-CE2 4.25Å; L510-F542 HydrophobicContact CD1-CE2 3.92Å; L510-F542 HydrophobicContact CD1-CZ 4.05Å
511	M	84.5	Confident	88.2	Confident	92 Å²	92	68.6 Å²	68.6	45%	0.453	36%	0.357	S	S	.	.			trans	-73.2	154.6	174.7	-70.6	-60.7	-71.1	0	0	111	E513 D514 Y515	M511-E513 VanDerWaalsContact C-N 3.27Å; M511-E513 WeakPolarHBondContact CB-OE2 3.39Å; M511-E513 PolarHBondContact O-N 3.35Å; M511-D514 HydrophobicContact CB-CB 4.43Å; M511-D514 PolarHBondContact O-N 3.4Å; M511-Y515 WeakPolarHBondContact O-CB 3.3Å; M511-Y515 PolarHBondContact O-N 3.15Å
512	L	77.9	Confident	87.8	Confident	104 Å²	104	73.4 Å²	73.4	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-37.4	-176.9	-176.3	62.8	0	0	0	111.4	Y515 E516	L512-Y515 HydrophobicContact CD1-CD1 4.32Å; L512-Y515 WeakPolarHBondContact O-CB 3.26Å; L512-Y515 PolarHBondContact O-N 3.35Å; L512-E516 WeakPolarHBondContact O-CG 3.16Å; L512-E516 PolarHBondContact O-N 3.27Å
513	E	85.3	Confident	87.9	Confident	117 Å²	117	72.6 Å²	72.6	55%	0.547	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-44.2	177.6	-55.9	81.6	176	0	0	111.3	M511 Y515 E516 L517	M511-E513 VanDerWaalsContact C-N 3.27Å; M511-E513 WeakPolarHBondContact CB-OE2 3.39Å; M511-E513 PolarHBondContact O-N 3.35Å; E513-Y515 VanDerWaalsContact C-N 3.35Å; E513-E516 PolarHBondContact O-N 3.12Å; E513-L517 WeakPolarHBondContact O-CB 3.23Å; E513-L517 VanDerWaalsContact O-CG 3.27Å; E513-L517 WeakPolarHBondContact O-CG 3.22Å; E513-L517 PolarHBondContact O-N 2.69Å
514	D	87.1	Confident	88.1	Confident	14 Å²	14	76 Å²	76	8%	0.075	41%	0.406	C	S	.	.	H	α-helix	trans	-67.9	-33.7	174.7	-89.7	-27.9	0	0	0	111.7	L510 M511 V518 T534 R537 H538	L510-D514 HydrophobicContact CD1-CB 3.62Å; M511-D514 HydrophobicContact CB-CB 4.43Å; M511-D514 PolarHBondContact O-N 3.4Å; D514-V518 WeakPolarHBondContact O-CG2 3.5Å; D514-V518 PolarHBondContact O-N 2.82Å; D514-T534 HydrophobicContact CB-CG2 3.85Å; D514-T534 VanDerWaalsContact CG-CG2 3.45Å; D514-T534 WeakPolarHBondContact OD1-CG2 3.42Å; D514-R537 IonicContact OD1-CZ 3.92Å; D514-R537 IonicContact OD1-NH1 3.41Å; D514-R537 PolarHBondContact OD1-NH1 3.28Å; D514-R537 IonicContact OD1-NH2 3.18Å; D514-R537 PolarHBondContact OD1-NH2 3.22Å; D514-R537 IonicContact OD2-CZ 2.71Å; D514-R537 IonicContact OD2-NH1 2.72Å; D514-R537 PolarHBondContact OD2-NH1 2.85Å; D514-R537 IonicContact OD2-NH2 3.73Å; D514-H538 IonicContact OD2-CD2 2.74Å; D514-H538 IonicContact OD2-CE1 3.23Å; D514-H538 IonicContact OD2-NE2 2.76Å; D514-H538 PolarHBondContact OD2-NE2 2.88Å
515	Y	89.9	Confident	88.1	Confident	68 Å²	68	78.4 Å²	78.4	27%	0.267	42%	0.421	S	S	.	.	H	α-helix	trans	-66.7	-47.4	173.3	171.7	-97.7	0	0	0	112	L501 L505 L510 M511 L512 E513 L517 V518 V519	L501-Y515 HydrophobicContact CB-CD2 4.13Å; L501-Y515 HydrophobicContact CB-CE2 4.01Å; L501-Y515 HydrophobicContact CD1-CD2 4.33Å; L501-Y515 HydrophobicContact CD1-CE2 4.11Å; L501-Y515 HydrophobicContact CD2-CD2 4.34Å; L501-Y515 HydrophobicContact CG-CD2 4.49Å; L505-Y515 HydrophobicContact CD1-CD2 3.71Å; L505-Y515 HydrophobicContact CD1-CE2 3.71Å; L505-Y515 HydrophobicContact CD1-CG 4.24Å; L505-Y515 HydrophobicContact CD2-CD2 4.46Å; L505-Y515 HydrophobicContact CD2-CG 4.42Å; L505-Y515 HydrophobicContact CG-CD2 4.29Å; L510-Y515 HydrophobicContact CD2-CD2 3.99Å; L510-Y515 HydrophobicContact CD2-CG 4.41Å; M511-Y515 WeakPolarHBondContact O-CB 3.3Å; M511-Y515 PolarHBondContact O-N 3.15Å; L512-Y515 HydrophobicContact CD1-CD1 4.32Å; L512-Y515 WeakPolarHBondContact O-CB 3.26Å; L512-Y515 PolarHBondContact O-N 3.35Å; E513-Y515 VanDerWaalsContact C-N 3.35Å; Y515-L517 VanDerWaalsContact C-N 3.33Å; Y515-L517 PolarHBondContact O-N 2.76Å; Y515-V518 PolarHBondContact O-N 3.31Å; Y515-V518 VanDerWaalsContact O-N 3.13Å; Y515-V519 HydrophobicContact CD1-CG2 4.34Å; Y515-V519 HydrophobicContact CD2-CG2 4.11Å; Y515-V519 HydrophobicContact CE1-CG2 3.93Å; Y515-V519 HydrophobicContact CE2-CG2 3.68Å; Y515-V519 HydrophobicContact CG-CG2 4.43Å; Y515-V519 WeakPolarHBondContact O-CG2 3.43Å; Y515-V519 PolarHBondContact O-N 3.33Å
516	E	89.1	Confident	88.4	Confident	102 Å²	102	77 Å²	77	48%	0.477	42%	0.418	S	S	.	.	H	α-helix	trans	-62	-40.6	175.7	-75.6	-172.6	-173.6	0	0	111.7	L512 E513 V518 V519 N520	L512-E516 WeakPolarHBondContact O-CG 3.16Å; L512-E516 PolarHBondContact O-N 3.27Å; E513-E516 PolarHBondContact O-N 3.12Å; E516-V518 VanDerWaalsContact C-N 3.26Å; E516-V518 PolarHBondContact O-N 2.95Å; E516-V519 PolarHBondContact O-N 3.22Å; E516-N520 WeakPolarHBondContact O-CB 3.27Å; E516-N520 VanDerWaalsContact O-CG 3.25Å; E516-N520 PolarHBondContact O-N 3.31Å; E516-N520 PolarHBondContact O-ND2 2.62Å
517	L	89.7	Confident	88.7	Confident	82 Å²	82	74.6 Å²	74.6	43%	0.429	39%	0.391	S	S	.	.	H	α-helix	trans	-57.5	-37.4	173.2	-78.1	171.2	0	0	0	112.6	E513 Y515 R521 Q530	E513-L517 WeakPolarHBondContact O-CB 3.23Å; E513-L517 VanDerWaalsContact O-CG 3.27Å; E513-L517 WeakPolarHBondContact O-CG 3.22Å; E513-L517 PolarHBondContact O-N 2.69Å; Y515-L517 VanDerWaalsContact C-N 3.33Å; Y515-L517 PolarHBondContact O-N 2.76Å; L517-R521 WeakPolarHBondContact O-CG 3.37Å; L517-Q530 HydrophobicContact CB-CG 4.4Å
518	V	90.5	Very high	89.1	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-71	-53.4	173.8	172.8	0	0	0	0	111.4	L497 L501 D514 Y515 E516 N520 R521 K527 Q530 L531	L497-V518 HydrophobicContact CD1-CG1 4.43Å; L501-V518 HydrophobicContact CD1-CG1 3.93Å; L501-V518 HydrophobicContact CD2-CB 4.38Å; L501-V518 HydrophobicContact CD2-CG1 4.01Å; L501-V518 HydrophobicContact CD2-CG2 4.49Å; D514-V518 WeakPolarHBondContact O-CG2 3.5Å; D514-V518 PolarHBondContact O-N 2.82Å; Y515-V518 PolarHBondContact O-N 3.31Å; Y515-V518 VanDerWaalsContact O-N 3.13Å; E516-V518 VanDerWaalsContact C-N 3.26Å; E516-V518 PolarHBondContact O-N 2.95Å; V518-N520 VanDerWaalsContact C-N 3.34Å; V518-N520 PolarHBondContact O-N 2.86Å; V518-R521 WeakPolarHBondContact O-CB 3.25Å; V518-R521 PolarHBondContact O-N 2.79Å; V518-K527 HydrophobicContact CG1-CB 4.14Å; V518-K527 WeakPolarHBondContact O-CG 3.37Å; V518-Q530 HydrophobicContact CB-CG 4.3Å; V518-Q530 HydrophobicContact CG2-CB 4.05Å; V518-Q530 HydrophobicContact CG2-CG 3.65Å; V518-L531 HydrophobicContact CG2-CB 4.25Å
519	V	90.7	Very high	89.5	Confident	56 Å²	56	67 Å²	67	34%	0.339	35%	0.346	S	S	.	.	H	α-helix	trans	-66.8	-34.9	-171.2	173.1	0	0	0	0	112.3	L501 Y515 E516 R521	L501-V519 HydrophobicContact CD1-CG2 4.24Å; Y515-V519 HydrophobicContact CD1-CG2 4.34Å; Y515-V519 HydrophobicContact CD2-CG2 4.11Å; Y515-V519 HydrophobicContact CE1-CG2 3.93Å; Y515-V519 HydrophobicContact CE2-CG2 3.68Å; Y515-V519 HydrophobicContact CG-CG2 4.43Å; Y515-V519 WeakPolarHBondContact O-CG2 3.43Å; Y515-V519 PolarHBondContact O-N 3.33Å; E516-V519 PolarHBondContact O-N 3.22Å; V519-R521 PolarHBondContact O-N 2.93Å; V519-R521 VanDerWaalsContact O-N 3.15Å
520	N	90.4	Very high	89.9	Confident	124 Å²	124	65.9 Å²	65.9	66%	0.663	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.6	178.4	-70.5	-38	0	0	0	114.1	E516 V518	E516-N520 WeakPolarHBondContact O-CB 3.27Å; E516-N520 VanDerWaalsContact O-CG 3.25Å; E516-N520 PolarHBondContact O-N 3.31Å; E516-N520 PolarHBondContact O-ND2 2.62Å; V518-N520 VanDerWaalsContact C-N 3.34Å; V518-N520 PolarHBondContact O-N 2.86Å
521	R	93.3	Very high	90.2	Very high	111 Å²	111	65.5 Å²	65.5	42%	0.419	34%	0.337	S	S	.	.			trans	-77.5	125.4	173.1	-59.2	-50.5	-165	175.4	3.4	111.3	L517 V518 V519 T523 A526 K527 Q530	L517-R521 WeakPolarHBondContact O-CG 3.37Å; V518-R521 WeakPolarHBondContact O-CB 3.25Å; V518-R521 PolarHBondContact O-N 2.79Å; V519-R521 PolarHBondContact O-N 2.93Å; V519-R521 VanDerWaalsContact O-N 3.15Å; R521-T523 VanDerWaalsContact C-N 3.28Å; R521-T523 PolarHBondContact O-N 3.47Å; R521-T523 VanDerWaalsContact O-N 3.15Å; R521-A526 HydrophobicContact CB-CB 3.83Å; R521-A526 HydrophobicContact CG-CB 4.38Å; R521-K527 HydrophobicContact CB-CB 4.41Å; R521-K527 HydrophobicContact CB-CG 3.88Å; R521-K527 VanDerWaalsContact O-CE 3.3Å; R521-K527 WeakPolarHBondContact O-CE 3.36Å; R521-K527 VanDerWaalsContact O-CG 3.3Å; R521-K527 WeakPolarHBondContact O-CG 3.4Å; R521-Q530 HydrophobicContact CG-CB 4.09Å; R521-Q530 HydrophobicContact CG-CG 4.45Å; R521-Q530 VanDerWaalsContact NE-OE1 3.1Å
522	A	83.9	Confident	90.5	Very high	106 Å²	106	61.3 Å²	61.3	88%	0.876	32%	0.317	S	S	*	.	S	Bend	trans	-65.1	-17.9	-170.9	0	0	0	0	0	116.2
523	T	92.9	Very high	91	Very high	74 Å²	74	59.4 Å²	59.4	45%	0.454	31%	0.307	S	S	.	.	S	Bend	trans	-128.7	147.3	-179.5	68.2	0	0	0	0	111.4	R521 T525 A526 K527	R521-T523 VanDerWaalsContact C-N 3.28Å; R521-T523 PolarHBondContact O-N 3.47Å; R521-T523 VanDerWaalsContact O-N 3.15Å; T523-T525 PolarHBondContact O-N 3.45Å; T523-T525 PolarHBondContact OG1-OG1 3.46Å; T523-A526 PolarHBondContact O-N 3.11Å; T523-A526 VanDerWaalsContact OG1-CB 3.3Å; T523-A526 WeakPolarHBondContact OG1-CB 3.44Å; T523-A526 PolarHBondContact OG1-N 3.21Å; T523-K527 WeakPolarHBondContact O-CG 3.4Å; T523-K527 PolarHBondContact O-N 3.27Å
524	R	94	Very high	90.9	Very high	86 Å²	86	53.8 Å²	53.8	33%	0.325	28%	0.281	S	S	.	.	H	α-helix	trans	-48.3	-45.9	176.6	-168.1	-154.8	82.3	-166.4	10.1	112.2	V489 S490 M492 E494 A526 K527 V528	V489-R524 PolarHBondContact O-NH2 2.87Å; S490-R524 PolarHBondContact O-NH2 3.34Å; M492-R524 WeakPolarHBondContact O-CD 3.49Å; M492-R524 VanDerWaalsContact O-CZ 3.23Å; M492-R524 PolarHBondContact O-NE 3.43Å; M492-R524 PolarHBondContact O-NH2 3.04Å; E494-R524 HydrophobicContact CB-CG 4.22Å; R524-A526 PolarHBondContact O-N 3.2Å; R524-K527 PolarHBondContact O-N 2.91Å; R524-V528 VanDerWaalsContact O-CG2 3.3Å; R524-V528 WeakPolarHBondContact O-CG2 3.34Å; R524-V528 PolarHBondContact O-N 3.43Å
525	T	93.1	Very high	90.7	Very high	50 Å²	50	53.4 Å²	53.4	31%	0.307	28%	0.279	S	S	.	.	H	α-helix	trans	-67.4	-33.8	-179.6	47.8	0	0	0	0	112.9	V489 T523 R529	V489-T525 HydrophobicContact CG1-CG2 3.88Å; T523-T525 PolarHBondContact O-N 3.45Å; T523-T525 PolarHBondContact OG1-OG1 3.46Å; T525-R529 WeakPolarHBondContact O-CG 3.48Å; T525-R529 PolarHBondContact O-N 3.3Å
526	A	91.7	Very high	89.7	Confident	34 Å²	34	56.6 Å²	56.6	28%	0.281	30%	0.296	S	S	.	.	H	α-helix	trans	-72	-39.3	172.4	0	0	0	0	0	112.3	R521 T523 R524 R529 Q530	R521-A526 HydrophobicContact CB-CB 3.83Å; R521-A526 HydrophobicContact CG-CB 4.38Å; T523-A526 PolarHBondContact O-N 3.11Å; T523-A526 VanDerWaalsContact OG1-CB 3.3Å; T523-A526 WeakPolarHBondContact OG1-CB 3.44Å; T523-A526 PolarHBondContact OG1-N 3.21Å; R524-A526 PolarHBondContact O-N 3.2Å; A526-R529 PolarHBondContact O-N 3.4Å; A526-Q530 WeakPolarHBondContact O-CB 3.42Å; A526-Q530 PolarHBondContact O-N 3.15Å
527	K	93.9	Very high	88.9	Confident	39 Å²	39	58.4 Å²	58.4	17%	0.17	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-47.9	171.9	-59.3	-179.2	-178.7	176.2	0	110.9	E494 L497 V518 R521 T523 R524 Q530 L531	E494-K527 IonicContact OE1-NZ 2.93Å; E494-K527 PolarHBondContact OE1-NZ 3.35Å; L497-K527 HydrophobicContact CD2-CB 3.53Å; L497-K527 HydrophobicContact CD2-CD 3.77Å; L497-K527 HydrophobicContact CD2-CG 4.3Å; V518-K527 HydrophobicContact CG1-CB 4.14Å; V518-K527 WeakPolarHBondContact O-CG 3.37Å; R521-K527 HydrophobicContact CB-CB 4.41Å; R521-K527 HydrophobicContact CB-CG 3.88Å; R521-K527 VanDerWaalsContact O-CE 3.3Å; R521-K527 WeakPolarHBondContact O-CE 3.36Å; R521-K527 VanDerWaalsContact O-CG 3.3Å; R521-K527 WeakPolarHBondContact O-CG 3.4Å; T523-K527 WeakPolarHBondContact O-CG 3.4Å; T523-K527 PolarHBondContact O-N 3.27Å; R524-K527 PolarHBondContact O-N 2.91Å; K527-Q530 PolarHBondContact O-N 3.42Å; K527-L531 PolarHBondContact O-N 3.06Å
528	V	94.5	Very high	88.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-45.8	178.8	177.9	0	0	0	0	111.3	I488 V489 M492 L497 R524 Q530 L531 L532	I488-V528 HydrophobicContact CG2-CG1 4.38Å; V489-V528 HydrophobicContact CB-CG1 4.42Å; V489-V528 HydrophobicContact CG2-CG1 3.99Å; M492-V528 HydrophobicContact CB-CG1 4.13Å; M492-V528 HydrophobicContact CB-CG2 4.04Å; M492-V528 HydrophobicContact CG-CG2 4.14Å; M492-V528 HydrophobicContact SD-CB 4.36Å; M492-V528 HydrophobicContact SD-CG1 3.71Å; M492-V528 HydrophobicContact SD-CG2 3.77Å; L497-V528 HydrophobicContact CD1-CG2 4.23Å; L497-V528 HydrophobicContact CD2-CG2 4.23Å; R524-V528 VanDerWaalsContact O-CG2 3.3Å; R524-V528 WeakPolarHBondContact O-CG2 3.34Å; R524-V528 PolarHBondContact O-N 3.43Å; V528-Q530 VanDerWaalsContact C-N 3.32Å; V528-Q530 PolarHBondContact O-N 3.15Å; V528-L531 WeakPolarHBondContact O-CB 3.47Å; V528-L531 PolarHBondContact O-N 2.86Å; V528-L531 VanDerWaalsContact O-N 3.08Å; V528-L532 HydrophobicContact CG1-CD1 4.34Å; V528-L532 HydrophobicContact CG1-CG 4.41Å; V528-L532 WeakPolarHBondContact O-CG 3.29Å; V528-L532 PolarHBondContact O-N 3.16Å
529	R	94.4	Very high	88	Confident	95 Å²	95	60.1 Å²	60.1	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-57.4	-45.1	175.8	-76.7	-169.9	-171.4	110.2	-1.5	111.9	E486 V489 T525 A526 L531 L532 D533	E486-R529 IonicContact OE1-CZ 3.71Å; E486-R529 IonicContact OE1-NE 3.44Å; E486-R529 PolarHBondContact OE1-NE 3.5Å; E486-R529 IonicContact OE1-NH2 3.68Å; E486-R529 IonicContact OE2-CZ 2.83Å; E486-R529 IonicContact OE2-NE 2.73Å; E486-R529 PolarHBondContact OE2-NE 3.03Å; E486-R529 IonicContact OE2-NH2 2.65Å; E486-R529 PolarHBondContact OE2-NH2 3.47Å; V489-R529 HydrophobicContact CB-CG 4.41Å; V489-R529 HydrophobicContact CG1-CG 4.06Å; V489-R529 HydrophobicContact CG2-CG 3.42Å; V489-R529 VanDerWaalsContact CG2-CG 3.42Å; T525-R529 WeakPolarHBondContact O-CG 3.48Å; T525-R529 PolarHBondContact O-N 3.3Å; A526-R529 PolarHBondContact O-N 3.4Å; R529-L531 VanDerWaalsContact C-N 3.28Å; R529-L531 PolarHBondContact O-N 3.02Å; R529-L532 CarbonylContact O-C 3.56Å; R529-L532 WeakPolarHBondContact O-CA 3.48Å; R529-L532 PolarHBondContact O-N 3.16Å; R529-D533 PolarHBondContact O-N 3.34Å
530	Q	93.9	Very high	87.8	Confident	21 Å²	21	59.6 Å²	59.6	10%	0.098	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-35.9	175.7	-172.9	69.3	47.8	0	0	113.1	L517 V518 R521 A526 K527 V528 D533 T534	L517-Q530 HydrophobicContact CB-CG 4.4Å; V518-Q530 HydrophobicContact CB-CG 4.3Å; V518-Q530 HydrophobicContact CG2-CB 4.05Å; V518-Q530 HydrophobicContact CG2-CG 3.65Å; R521-Q530 HydrophobicContact CG-CB 4.09Å; R521-Q530 HydrophobicContact CG-CG 4.45Å; R521-Q530 VanDerWaalsContact NE-OE1 3.1Å; A526-Q530 WeakPolarHBondContact O-CB 3.42Å; A526-Q530 PolarHBondContact O-N 3.15Å; K527-Q530 PolarHBondContact O-N 3.42Å; V528-Q530 VanDerWaalsContact C-N 3.32Å; V528-Q530 PolarHBondContact O-N 3.15Å; Q530-D533 PolarHBondContact O-N 3.11Å; Q530-T534 PolarHBondContact O-N 3.31Å; Q530-T534 VanDerWaalsContact O-N 3.08Å; Q530-T534 PolarHBondContact O-OG1 3.06Å
531	L	92.8	Very high	87.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.7	-31.6	174	178.7	59.7	0	0	0	112.5	M492 L497 L501 L504 V518 K527 V528 R529 T534 C535 F542 V546	M492-L531 HydrophobicContact CE-CD2 4.15Å; L497-L531 HydrophobicContact CD1-CB 4.41Å; L497-L531 HydrophobicContact CD1-CD2 3.63Å; L501-L531 HydrophobicContact CD2-CD1 4.02Å; L501-L531 HydrophobicContact CD2-CD2 4.38Å; L504-L531 HydrophobicContact CD1-CD1 3.98Å; V518-L531 HydrophobicContact CG2-CB 4.25Å; K527-L531 PolarHBondContact O-N 3.06Å; V528-L531 WeakPolarHBondContact O-CB 3.47Å; V528-L531 PolarHBondContact O-N 2.86Å; V528-L531 VanDerWaalsContact O-N 3.08Å; R529-L531 VanDerWaalsContact C-N 3.28Å; R529-L531 PolarHBondContact O-N 3.02Å; L531-T534 WeakPolarHBondContact CA-OG1 3.24Å; L531-T534 PolarHBondContact O-N 3.42Å; L531-T534 PolarHBondContact O-OG1 2.71Å; L531-C535 PolarHBondContact O-N 2.89Å; L531-C535 VanDerWaalsContact O-N 3.1Å; L531-C535 PolarHBondContact O-SG 3.43Å; L531-F542 HydrophobicContact CD1-CE1 3.99Å; L531-F542 HydrophobicContact CD1-CZ 3.9Å; L531-V546 HydrophobicContact CD1-CG2 4.5Å
532	L	91.6	Very high	87.3	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-78.8	-23.4	174.2	-55.6	-174.7	0	0	0	112.1	I481 R485 I488 V489 V528 R529 C535	I481-L532 HydrophobicContact CG2-CD2 3.85Å; R485-L532 HydrophobicContact CG-CD1 3.85Å; I488-L532 HydrophobicContact CB-CD1 4.05Å; I488-L532 HydrophobicContact CG2-CD1 3.91Å; I488-L532 HydrophobicContact CG2-CD2 4.24Å; V489-L532 HydrophobicContact CG2-CD1 4.04Å; V528-L532 HydrophobicContact CG1-CD1 4.34Å; V528-L532 HydrophobicContact CG1-CG 4.41Å; V528-L532 WeakPolarHBondContact O-CG 3.29Å; V528-L532 PolarHBondContact O-N 3.16Å; R529-L532 CarbonylContact O-C 3.56Å; R529-L532 WeakPolarHBondContact O-CA 3.48Å; R529-L532 PolarHBondContact O-N 3.16Å; L532-C535 WeakPolarHBondContact O-CB 3.28Å; L532-C535 PolarHBondContact O-N 3.12Å
533	D	88.6	Confident	87.6	Confident	63 Å²	63	48.1 Å²	48.1	34%	0.337	24%	0.237	S	C	.	.	H	α-helix	trans	-75.8	-23.8	169.1	-66.2	-44.1	0	0	0	113.2	R485 R529 Q530	R485-D533 IonicContact CZ-OD1 3.87Å; R485-D533 IonicContact NH1-OD1 2.77Å; R485-D533 PolarHBondContact NH1-OD1 3.41Å; R485-D533 IonicContact NH2-OD1 3.61Å; R485-D533 PolarHBondContact NH2-OD1 3.29Å; R485-D533 IonicContact NH2-OD2 3.45Å; R485-D533 PolarHBondContact NH2-OD2 2.92Å; R529-D533 PolarHBondContact O-N 3.34Å; Q530-D533 PolarHBondContact O-N 3.11Å
534	T	83.6	Confident	87.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-76.5	-37.5	164.3	39.1	0	0	0	0	111.9	D514 Q530 L531 H536 R537 H538	D514-T534 HydrophobicContact CB-CG2 3.85Å; D514-T534 VanDerWaalsContact CG-CG2 3.45Å; D514-T534 WeakPolarHBondContact OD1-CG2 3.42Å; Q530-T534 PolarHBondContact O-N 3.31Å; Q530-T534 VanDerWaalsContact O-N 3.08Å; Q530-T534 PolarHBondContact O-OG1 3.06Å; L531-T534 WeakPolarHBondContact CA-OG1 3.24Å; L531-T534 PolarHBondContact O-N 3.42Å; L531-T534 PolarHBondContact O-OG1 2.71Å; T534-H536 PolarHBondContact O-N 3Å; T534-H536 VanDerWaalsContact O-N 3.12Å; T534-R537 PolarHBondContact O-N 3.3Å; T534-H538 PolarHBondContact O-CD2 3.19Å; T534-H538 VanDerWaalsContact O-CD2 3.27Å; T534-H538 PolarHBondContact O-N 3.06Å; T534-H538 VanDerWaalsContact O-N 3.14Å
535	C	83.1	Confident	87.2	Confident	6 Å²	6	44 Å²	44	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-51.6	-37	174.7	-69.8	0	0	0	0	113.5	I481 L531 L532 R537 F542	I481-C535 HydrophobicContact CD1-CB 4.31Å; I481-C535 HydrophobicContact CG2-CB 4.49Å; L531-C535 PolarHBondContact O-N 2.89Å; L531-C535 VanDerWaalsContact O-N 3.1Å; L531-C535 PolarHBondContact O-SG 3.43Å; L532-C535 WeakPolarHBondContact O-CB 3.28Å; L532-C535 PolarHBondContact O-N 3.12Å; C535-R537 VanDerWaalsContact C-N 3.32Å; C535-R537 PolarHBondContact O-N 2.77Å; C535-F542 HydrophobicContact CB-CD1 4.45Å; C535-F542 HydrophobicContact CB-CE1 4.44Å; C535-F542 VanDerWaalsContact SG-CE1 3.6Å
536	H	68.8	Low	87	Confident	134 Å²	134	41.7 Å²	41.7	62%	0.62	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.6	179.3	-171.3	46.8	0	0	0	114.1	T534	T534-H536 PolarHBondContact O-N 3Å; T534-H536 VanDerWaalsContact O-N 3.12Å
537	R	71.4	Confident	87	Confident	141 Å²	141	40 Å²	40	53%	0.532	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-9.7	177.4	-69.3	-172.6	-72.5	124.9	-9.6	114.1	D514 T534 C535	D514-R537 IonicContact OD1-CZ 3.92Å; D514-R537 IonicContact OD1-NH1 3.41Å; D514-R537 PolarHBondContact OD1-NH1 3.28Å; D514-R537 IonicContact OD1-NH2 3.18Å; D514-R537 PolarHBondContact OD1-NH2 3.22Å; D514-R537 IonicContact OD2-CZ 2.71Å; D514-R537 IonicContact OD2-NH1 2.72Å; D514-R537 PolarHBondContact OD2-NH1 2.85Å; D514-R537 IonicContact OD2-NH2 3.73Å; T534-R537 PolarHBondContact O-N 3.3Å; C535-R537 VanDerWaalsContact C-N 3.32Å; C535-R537 PolarHBondContact O-N 2.77Å
538	H	79	Confident	86.7	Confident	61 Å²	61	43.9 Å²	43.9	28%	0.282	20%	0.2	S	C	.	.	S	Bend	trans	-117.9	173.9	-172.5	-76.9	-72.2	0	0	0	112	D514 T534 F542	D514-H538 IonicContact OD2-CD2 2.74Å; D514-H538 IonicContact OD2-CE1 3.23Å; D514-H538 IonicContact OD2-NE2 2.76Å; D514-H538 PolarHBondContact OD2-NE2 2.88Å; T534-H538 PolarHBondContact O-CD2 3.19Å; T534-H538 VanDerWaalsContact O-CD2 3.27Å; T534-H538 PolarHBondContact O-N 3.06Å; T534-H538 VanDerWaalsContact O-N 3.14Å; H538-F542 HydrophobicContact CB-CB 3.78Å; H538-F542 HydrophobicContact CB-CD1 4.27Å; H538-F542 HydrophobicContact CB-CD2 3.52Å; H538-F542 HydrophobicContact CB-CE2 4.1Å; H538-F542 HydrophobicContact CB-CG 3.63Å; H538-F542 AromaticContact CD2-CE2 3.84Å; H538-F542 AromaticContact CG-CD2 3.75Å; H538-F542 AromaticContact CG-CE2 3.94Å
539	S	82.9	Confident	86.6	Confident	57 Å²	57	46.2 Å²	46.2	40%	0.399	21%	0.21	S	C	.	.			trans	-70.3	164.2	-170.7	67.9	0	0	0	0	114.3	D541 F542 C543	S539-D541 PolarHBondContact O-N 3.24Å; S539-D541 VanDerWaalsContact O-N 3.15Å; S539-D541 PolarHBondContact OG-N 3.06Å; S539-F542 WeakPolarHBondContact O-CB 3.48Å; S539-F542 PolarHBondContact O-N 2.93Å; S539-F542 PolarHBondContact OG-N 2.93Å; S539-C543 PolarHBondContact O-N 3.08Å
540	E	85.2	Confident	86.4	Confident	44 Å²	44	41.7 Å²	41.7	21%	0.206	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-27	170.1	172.3	69.5	-180	0	0	112.2	G475 P476 V477 A478 C543 R544	G475-E540 WeakPolarHBondContact CA-OE2 3.24Å; P476-E540 VanDerWaalsContact CD-OE1 3.31Å; P476-E540 WeakPolarHBondContact CD-OE1 3.36Å; P476-E540 WeakPolarHBondContact CG-OE1 3.48Å; V477-E540 WeakPolarHBondContact CB-OE1 3.46Å; V477-E540 VanDerWaalsContact CG2-OE1 3.3Å; V477-E540 WeakPolarHBondContact CG2-OE1 3.44Å; V477-E540 PolarHBondContact N-OE1 3.46Å; V477-E540 PolarHBondContact N-OE2 2.86Å; A478-E540 PolarHBondContact N-OE2 3.24Å; E540-C543 WeakPolarHBondContact O-CB 3.38Å; E540-C543 PolarHBondContact O-N 3.07Å; E540-R544 WeakPolarHBondContact O-CD 3.49Å; E540-R544 VanDerWaalsContact O-CG 3.25Å; E540-R544 WeakPolarHBondContact O-CG 3.42Å; E540-R544 PolarHBondContact O-N 3.26Å; E540-R544 IonicContact OE1-CZ 2.77Å; E540-R544 IonicContact OE1-NE 2.95Å; E540-R544 PolarHBondContact OE1-NE 3.2Å; E540-R544 IonicContact OE1-NH2 2.7Å; E540-R544 PolarHBondContact OE1-NH2 2.91Å
541	D	83.5	Confident	86	Confident	101 Å²	101	44.3 Å²	44.3	54%	0.54	21%	0.206	S	C	.	.	H	α-helix	trans	-71.7	-35.1	173.3	-69.7	-49.2	0	0	0	113.5	S539 C543 R544 V545	S539-D541 PolarHBondContact O-N 3.24Å; S539-D541 VanDerWaalsContact O-N 3.15Å; S539-D541 PolarHBondContact OG-N 3.06Å; D541-C543 VanDerWaalsContact C-N 3.31Å; D541-R544 PolarHBondContact O-N 2.65Å; D541-V545 WeakPolarHBondContact O-CG2 3.28Å; D541-V545 PolarHBondContact O-N 3.22Å
542	F	90.3	Very high	85.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-49.1	169.1	-172	-73.7	0	0	0	109.8	L504 L509 L510 L531 C535 H538 S539 R544 V545 V546	L504-F542 HydrophobicContact CD1-CD1 4.47Å; L504-F542 HydrophobicContact CD1-CD2 4.45Å; L504-F542 HydrophobicContact CD1-CE1 3.92Å; L504-F542 HydrophobicContact CD1-CE2 3.91Å; L504-F542 HydrophobicContact CD1-CZ 3.62Å; L504-F542 HydrophobicContact CD2-CB 4.4Å; L504-F542 HydrophobicContact CD2-CD1 4.2Å; L504-F542 HydrophobicContact CD2-CD2 3.7Å; L504-F542 HydrophobicContact CD2-CE1 4.43Å; L504-F542 HydrophobicContact CD2-CE2 3.98Å; L504-F542 HydrophobicContact CD2-CG 3.81Å; L504-F542 HydrophobicContact CD2-CZ 4.33Å; L504-F542 HydrophobicContact CG-CE2 4.48Å; L509-F542 HydrophobicContact CB-CD2 4.23Å; L509-F542 WeakPolarHBondContact O-CD2 3.34Å; L509-F542 WeakPolarHBondContact O-CE2 3.43Å; L510-F542 HydrophobicContact CB-CE2 4.25Å; L510-F542 HydrophobicContact CD1-CE2 3.92Å; L510-F542 HydrophobicContact CD1-CZ 4.05Å; L531-F542 HydrophobicContact CD1-CE1 3.99Å; L531-F542 HydrophobicContact CD1-CZ 3.9Å; C535-F542 HydrophobicContact CB-CD1 4.45Å; C535-F542 HydrophobicContact CB-CE1 4.44Å; C535-F542 VanDerWaalsContact SG-CE1 3.6Å; H538-F542 HydrophobicContact CB-CB 3.78Å; H538-F542 HydrophobicContact CB-CD1 4.27Å; H538-F542 HydrophobicContact CB-CD2 3.52Å; H538-F542 HydrophobicContact CB-CE2 4.1Å; H538-F542 HydrophobicContact CB-CG 3.63Å; H538-F542 AromaticContact CD2-CE2 3.84Å; H538-F542 AromaticContact CG-CD2 3.75Å; H538-F542 AromaticContact CG-CE2 3.94Å; S539-F542 WeakPolarHBondContact O-CB 3.48Å; S539-F542 PolarHBondContact O-N 2.93Å; S539-F542 PolarHBondContact OG-N 2.93Å; F542-R544 VanDerWaalsContact C-N 3.32Å; F542-R544 PolarHBondContact O-N 3.48Å; F542-V545 PolarHBondContact O-N 2.99Å; F542-V546 HydrophobicContact CD1-CG2 4.13Å; F542-V546 HydrophobicContact CE1-CG2 4.02Å; F542-V546 PolarHBondContact O-N 3.15Å; F542-V546 VanDerWaalsContact O-N 3.12Å
543	C	89.9	Confident	85.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-41	178.2	-63.6	0	0	0	0	111.7	V477 A478 I481 S539 E540 D541 V545 V546 V547	V477-C543 HydrophobicContact CB-CB 4.27Å; V477-C543 HydrophobicContact CG1-CB 3.95Å; A478-C543 HydrophobicContact CB-CB 4.39Å; I481-C543 HydrophobicContact CD1-CB 3.61Å; S539-C543 PolarHBondContact O-N 3.08Å; E540-C543 WeakPolarHBondContact O-CB 3.38Å; E540-C543 PolarHBondContact O-N 3.07Å; D541-C543 VanDerWaalsContact C-N 3.31Å; C543-V545 PolarHBondContact O-N 3.23Å; C543-V546 PolarHBondContact O-N 2.73Å; C543-V547 WeakPolarHBondContact O-CG2 3.49Å; C543-V547 PolarHBondContact O-N 3.5Å
544	R	89.4	Confident	85	Confident	59 Å²	59	55.1 Å²	55.1	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-41	174.9	-75.6	162.1	-174.3	-82.4	-18.6	113	V477 E540 D541 F542 R548 E564 L565	V477-R544 HydrophobicContact CB-CG 4.24Å; V477-R544 HydrophobicContact CG1-CG 4.36Å; V477-R544 HydrophobicContact CG2-CG 3.89Å; E540-R544 WeakPolarHBondContact O-CD 3.49Å; E540-R544 VanDerWaalsContact O-CG 3.25Å; E540-R544 WeakPolarHBondContact O-CG 3.42Å; E540-R544 PolarHBondContact O-N 3.26Å; E540-R544 IonicContact OE1-CZ 2.77Å; E540-R544 IonicContact OE1-NE 2.95Å; E540-R544 PolarHBondContact OE1-NE 3.2Å; E540-R544 IonicContact OE1-NH2 2.7Å; E540-R544 PolarHBondContact OE1-NH2 2.91Å; D541-R544 PolarHBondContact O-N 2.65Å; F542-R544 VanDerWaalsContact C-N 3.32Å; F542-R544 PolarHBondContact O-N 3.48Å; R544-R548 WeakPolarHBondContact O-CB 3.23Å; R544-R548 PolarHBondContact O-N 3.44Å; R544-E564 PolarHBondContact NH1-O 2.78Å; R544-L565 HydrophobicContact CB-CD2 4.26Å; R544-L565 HydrophobicContact CG-CD2 4.23Å
545	V	88.9	Confident	84.9	Confident	15 Å²	15	55.7 Å²	55.7	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-45.5	176.8	172.5	0	0	0	0	111.1	A503 L504 L509 D541 F542 C543 K549	A503-V545 HydrophobicContact CB-CG1 3.85Å; L504-V545 HydrophobicContact CD2-CB 3.8Å; L504-V545 HydrophobicContact CD2-CG1 3.75Å; L504-V545 HydrophobicContact CD2-CG2 4.46Å; L504-V545 HydrophobicContact CG-CB 4.45Å; L504-V545 HydrophobicContact CG-CG1 3.87Å; L509-V545 HydrophobicContact CD1-CG2 3.89Å; D541-V545 WeakPolarHBondContact O-CG2 3.28Å; D541-V545 PolarHBondContact O-N 3.22Å; F542-V545 PolarHBondContact O-N 2.99Å; C543-V545 PolarHBondContact O-N 3.23Å; V545-K549 WeakPolarHBondContact O-CG 3.48Å; V545-K549 PolarHBondContact O-N 3.5Å; V545-K549 VanDerWaalsContact O-N 3.13Å
546	V	90.2	Very high	83.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-53.6	177.6	176.3	0	0	0	0	110.8	L504 L531 F542 C543 R548 K549 L550	L504-V546 HydrophobicContact CD1-CG2 3.99Å; L531-V546 HydrophobicContact CD1-CG2 4.5Å; F542-V546 HydrophobicContact CD1-CG2 4.13Å; F542-V546 HydrophobicContact CE1-CG2 4.02Å; F542-V546 PolarHBondContact O-N 3.15Å; F542-V546 VanDerWaalsContact O-N 3.12Å; C543-V546 PolarHBondContact O-N 2.73Å; V546-R548 VanDerWaalsContact C-N 3.33Å; V546-R548 PolarHBondContact O-N 3.47Å; V546-K549 WeakPolarHBondContact O-CA 3.45Å; V546-K549 PolarHBondContact O-N 3.26Å; V546-L550 WeakPolarHBondContact O-CG 3.24Å; V546-L550 PolarHBondContact O-N 3.18Å
547	V	90.5	Very high	84.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-34.1	-176.2	-177.1	0	0	0	0	112.2	V477 W480 I481 C543 K549 L550 Q551 Y561 P562 L565	V477-V547 HydrophobicContact CG1-CB 3.93Å; V477-V547 HydrophobicContact CG1-CG2 3.59Å; W480-V547 HydrophobicContact CE3-CG1 4.06Å; W480-V547 HydrophobicContact CE3-CG2 3.83Å; W480-V547 HydrophobicContact CH2-CG1 3.94Å; W480-V547 HydrophobicContact CZ2-CG1 4.49Å; W480-V547 HydrophobicContact CZ3-CB 4.41Å; W480-V547 HydrophobicContact CZ3-CG1 3.71Å; W480-V547 HydrophobicContact CZ3-CG2 3.76Å; I481-V547 HydrophobicContact CD1-CG2 3.74Å; I481-V547 HydrophobicContact CG1-CG2 3.5Å; C543-V547 WeakPolarHBondContact O-CG2 3.49Å; C543-V547 PolarHBondContact O-N 3.5Å; V547-K549 PolarHBondContact O-N 2.8Å; V547-L550 HydrophobicContact CG2-CD1 4.36Å; V547-L550 PolarHBondContact O-N 3.39Å; V547-Q551 PolarHBondContact O-N 3.22Å; V547-Y561 HydrophobicContact CG1-CD1 3.71Å; V547-Y561 HydrophobicContact CG1-CE1 4.25Å; V547-P562 HydrophobicContact CG1-CG 4.25Å; V547-L565 HydrophobicContact CB-CD1 4.37Å; V547-L565 HydrophobicContact CG1-CD1 3.78Å
548	R	89.4	Confident	84.5	Confident	119 Å²	119	50.7 Å²	50.7	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-34	171	-162.8	178	-161	97.9	7.4	111.8	R544 V546 Q551 D552 L565	R544-R548 WeakPolarHBondContact O-CB 3.23Å; R544-R548 PolarHBondContact O-N 3.44Å; V546-R548 VanDerWaalsContact C-N 3.33Å; V546-R548 PolarHBondContact O-N 3.47Å; R548-Q551 WeakPolarHBondContact O-CB 3.29Å; R548-Q551 PolarHBondContact O-N 3.34Å; R548-D552 WeakPolarHBondContact O-CB 3.19Å; R548-D552 PolarHBondContact O-N 3.23Å; R548-L565 HydrophobicContact CB-CD2 4.42Å; R548-L565 PolarHBondContact NH1-O 2.71Å
549	K	91.3	Very high	84.3	Confident	49 Å²	49	53 Å²	53	21%	0.213	27%	0.268	C	S	.	.	H	α-helix	trans	-75.4	-31.7	176.2	-74	-71.3	166.2	-148.1	0	114.1	C496 Q499 S500 A503 V545 V546 V547 Q551 D552 N553	C496-K549 PolarHBondContact SG-O 3.46Å; Q499-K549 HydrophobicContact CB-CD 4.11Å; S500-K549 VanDerWaalsContact OG-CB 3.28Å; S500-K549 WeakPolarHBondContact OG-CB 3.46Å; A503-K549 HydrophobicContact CB-CG 4.4Å; V545-K549 WeakPolarHBondContact O-CG 3.48Å; V545-K549 PolarHBondContact O-N 3.5Å; V545-K549 VanDerWaalsContact O-N 3.13Å; V546-K549 WeakPolarHBondContact O-CA 3.45Å; V546-K549 PolarHBondContact O-N 3.26Å; V547-K549 PolarHBondContact O-N 2.8Å; K549-Q551 VanDerWaalsContact C-N 3.32Å; K549-D552 WeakPolarHBondContact CE-OD2 3.39Å; K549-D552 IonicContact NZ-OD2 3.82Å; K549-D552 PolarHBondContact NZ-OD2 3.27Å; K549-N553 WeakPolarHBondContact O-CB 3.28Å; K549-N553 PolarHBondContact O-N 3.06Å; K549-N553 VanDerWaalsContact O-N 3.16Å; K549-N553 PolarHBondContact O-ND2 2.86Å
550	L	89.4	Confident	84	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-44.4	167	-56	173.3	0	0	0	110.5	W480 I488 M492 V546 V547 K554 Q555 L558 Y561	W480-L550 HydrophobicContact CH2-CD1 4.39Å; W480-L550 HydrophobicContact CZ3-CD1 4.06Å; I488-L550 HydrophobicContact CD1-CD1 4.15Å; I488-L550 HydrophobicContact CG1-CD1 4.05Å; I488-L550 HydrophobicContact CG2-CD1 3.97Å; I488-L550 HydrophobicContact CG2-CD2 3.95Å; M492-L550 HydrophobicContact CB-CD2 4.21Å; M492-L550 HydrophobicContact CE-CD2 3.78Å; M492-L550 HydrophobicContact CG-CD2 3.86Å; M492-L550 HydrophobicContact SD-CD2 4.04Å; V546-L550 WeakPolarHBondContact O-CG 3.24Å; V546-L550 PolarHBondContact O-N 3.18Å; V547-L550 HydrophobicContact CG2-CD1 4.36Å; V547-L550 PolarHBondContact O-N 3.39Å; L550-K554 PolarHBondContact O-N 3.29Å; L550-Q555 PolarHBondContact O-N 3.05Å; L550-L558 HydrophobicContact CB-CD1 4.19Å; L550-L558 HydrophobicContact CD1-CD1 4.08Å; L550-L558 HydrophobicContact CD2-CD1 4.36Å; L550-L558 HydrophobicContact CG-CD1 4.44Å; L550-Y561 HydrophobicContact CB-CE1 3.93Å; L550-Y561 PolarHBondContact O-OH 3.5Å
551	Q	87.1	Confident	83.9	Confident	77 Å²	77	54.2 Å²	54.2	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-49.5	178	-170.2	-178.5	18.4	0	0	112.8	V547 R548 K549 N553 K554 Y561	V547-Q551 PolarHBondContact O-N 3.22Å; R548-Q551 WeakPolarHBondContact O-CB 3.29Å; R548-Q551 PolarHBondContact O-N 3.34Å; K549-Q551 VanDerWaalsContact C-N 3.32Å; Q551-N553 PolarHBondContact O-N 3.32Å; Q551-K554 PolarHBondContact O-N 3.27Å; Q551-Y561 HydrophobicContact CB-CD1 4.1Å; Q551-Y561 HydrophobicContact CB-CD2 4.38Å; Q551-Y561 HydrophobicContact CB-CE1 3.99Å; Q551-Y561 HydrophobicContact CB-CE2 4.31Å; Q551-Y561 HydrophobicContact CB-CG 4.28Å; Q551-Y561 HydrophobicContact CG-CD2 4.08Å; Q551-Y561 HydrophobicContact CG-CE2 4.27Å; Q551-Y561 HydrophobicContact CG-CG 4.25Å
552	D	85.5	Confident	83.8	Confident	81 Å²	81	49.9 Å²	49.9	43%	0.433	25%	0.251	S	S	.	.	H	α-helix	trans	-54.6	-39.9	176.8	-73.9	-14.9	0	0	0	111.4	R548 K549 K554	R548-D552 WeakPolarHBondContact O-CB 3.19Å; R548-D552 PolarHBondContact O-N 3.23Å; K549-D552 WeakPolarHBondContact CE-OD2 3.39Å; K549-D552 IonicContact NZ-OD2 3.82Å; K549-D552 PolarHBondContact NZ-OD2 3.27Å; D552-K554 PolarHBondContact O-N 3.49Å
553	N	86.3	Confident	82.5	Confident	46 Å²	46	54.6 Å²	54.6	25%	0.246	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	11.1	-179.9	-75.1	-94.5	0	0	0	113.7	C496 Q499 K549 Q551 Q555	C496-N553 HydrophobicContact CB-CB 3.93Å; Q499-N553 PolarHBondContact NE2-OD1 3.12Å; Q499-N553 PolarHBondContact OE1-ND2 3.37Å; Q499-N553 PolarHBondContact OE1-OD1 2.93Å; K549-N553 WeakPolarHBondContact O-CB 3.28Å; K549-N553 PolarHBondContact O-N 3.06Å; K549-N553 VanDerWaalsContact O-N 3.16Å; K549-N553 PolarHBondContact O-ND2 2.86Å; Q551-N553 PolarHBondContact O-N 3.32Å; N553-Q555 VanDerWaalsContact C-N 3.34Å; N553-Q555 PolarHBondContact O-N 3.41Å
554	K	80.2	Confident	81.3	Confident	167 Å²	167	58.2 Å²	58.2	73%	0.726	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	44.6	174.6	-57.2	-178.2	-178.1	178.1	0	113.9	L550 Q551 D552 M556	L550-K554 PolarHBondContact O-N 3.29Å; Q551-K554 PolarHBondContact O-N 3.27Å; D552-K554 PolarHBondContact O-N 3.49Å; K554-M556 HydrophobicContact CB-SD 4.46Å; K554-M556 WeakPolarHBondContact O-CG 3.23Å; K554-M556 PolarHBondContact O-N 3.46Å
555	Q	80.5	Confident	80.2	Confident	13 Å²	13	55.8 Å²	55.8	6%	0.061	29%	0.29	C	S	.	.			trans	-75.1	81.4	172	-72.5	162	23.3	0	0	109	C496 L550 N553 G557 L558 Y561	C496-Q555 VanDerWaalsContact CB-NE2 3.27Å; C496-Q555 PolarHBondContact SG-NE2 3.06Å; L550-Q555 PolarHBondContact O-N 3.05Å; N553-Q555 VanDerWaalsContact C-N 3.34Å; N553-Q555 PolarHBondContact O-N 3.41Å; Q555-G557 VanDerWaalsContact C-N 3.28Å; Q555-G557 PolarHBondContact O-N 2.97Å; Q555-L558 HydrophobicContact CB-CD1 3.9Å; Q555-L558 HydrophobicContact CB-CG 4.3Å; Q555-L558 PolarHBondContact O-N 3.39Å; Q555-L558 VanDerWaalsContact O-N 3.1Å; Q555-Y561 PolarHBondContact O-OH 2.85Å
556	M	61.3	Low	78.3	Confident	120 Å²	120	59.8 Å²	59.8	59%	0.591	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-65.8	-28	-167.4	-62.6	-60.5	-73.4	0	0	113.4	K554 L558 Q559	K554-M556 HydrophobicContact CB-SD 4.46Å; K554-M556 WeakPolarHBondContact O-CG 3.23Å; K554-M556 PolarHBondContact O-N 3.46Å; M556-L558 PolarHBondContact O-N 3.47Å; M556-Q559 WeakPolarHBondContact O-CG 3.29Å; M556-Q559 PolarHBondContact O-N 3.14Å
557	G	73.1	Confident	75.8	Confident	55 Å²	55	64.4 Å²	64.4	57%	0.567	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-73.9	3.8	174.9	0	0	0	0	0	114.3	Q491 Q555	Q491-G557 VanDerWaalsContact NE2-C 3.26Å; Q491-G557 PolarHBondContact NE2-O 2.87Å; Q555-G557 VanDerWaalsContact C-N 3.28Å; Q555-G557 PolarHBondContact O-N 2.97Å
558	L	79.9	Confident	73.4	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-102.9	10.2	170.2	-61	176.6	0	0	0	112.7	W480 R484 D487 I488 Q491 L550 Q555 M556 Y561	W480-L558 HydrophobicContact CH2-CB 4.18Å; W480-L558 HydrophobicContact CZ2-CB 4.5Å; W480-L558 VanDerWaalsContact CZ2-O 3.29Å; W480-L558 WeakPolarHBondContact CZ2-O 3.45Å; R484-L558 PolarHBondContact NH1-O 3.01Å; D487-L558 HydrophobicContact CB-CD2 3.6Å; I488-L558 HydrophobicContact CG1-CD1 4.07Å; I488-L558 HydrophobicContact CG1-CD2 3.96Å; Q491-L558 HydrophobicContact CB-CD1 4.48Å; Q491-L558 HydrophobicContact CB-CG 4.4Å; L550-L558 HydrophobicContact CB-CD1 4.19Å; L550-L558 HydrophobicContact CD1-CD1 4.08Å; L550-L558 HydrophobicContact CD2-CD1 4.36Å; L550-L558 HydrophobicContact CG-CD1 4.44Å; Q555-L558 HydrophobicContact CB-CD1 3.9Å; Q555-L558 HydrophobicContact CB-CG 4.3Å; Q555-L558 PolarHBondContact O-N 3.39Å; Q555-L558 VanDerWaalsContact O-N 3.1Å; M556-L558 PolarHBondContact O-N 3.47Å; L558-Y561 HydrophobicContact CB-CE1 4.19Å
559	Q	74.6	Confident	71.1	Confident	110 Å²	110	71 Å²	71	51%	0.514	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-75.4	153.3	176.8	-70.5	-166.5	4.1	0	0	113.1	M556 Y561	M556-Q559 WeakPolarHBondContact O-CG 3.29Å; M556-Q559 PolarHBondContact O-N 3.14Å; Q559-Y561 HydrophobicContact CG-CD2 4Å; Q559-Y561 HydrophobicContact CG-CE2 3.88Å
560	P	78.1	Confident	68.1	Low	94 Å²	94	73.1 Å²	73.1	61%	0.61	43%	0.433	S	S	*	.	S	Bend	cis	-75.1	144	-9.6	30.1	-36.2	0	0	0	112.6	W480 R484	W480-P560 PolarHBondContact NE1-O 3.4Å; R484-P560 PolarHBondContact NH1-O 3.06Å
561	Y	82.9	Confident	65.4	Low	31 Å²	31	78.7 Å²	78.7	12%	0.122	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-78.1	160.3	171.8	-72.1	-82.8	0	0	0	111.4	W480 V547 L550 Q551 Q555 L558 Q559	W480-Y561 AromaticContact CH2-CD1 3.73Å; W480-Y561 HydrophobicContact CH2-CD1 3.73Å; W480-Y561 AromaticContact CH2-CE1 3.79Å; W480-Y561 HydrophobicContact CH2-CE1 3.79Å; W480-Y561 AromaticContact CZ2-CD1 3.71Å; W480-Y561 HydrophobicContact CZ2-CD1 3.71Å; W480-Y561 HydrophobicContact CZ2-CE1 4.13Å; W480-Y561 HydrophobicContact CZ2-CG 4.36Å; V547-Y561 HydrophobicContact CG1-CD1 3.71Å; V547-Y561 HydrophobicContact CG1-CE1 4.25Å; L550-Y561 HydrophobicContact CB-CE1 3.93Å; L550-Y561 PolarHBondContact O-OH 3.5Å; Q551-Y561 HydrophobicContact CB-CD1 4.1Å; Q551-Y561 HydrophobicContact CB-CD2 4.38Å; Q551-Y561 HydrophobicContact CB-CE1 3.99Å; Q551-Y561 HydrophobicContact CB-CE2 4.31Å; Q551-Y561 HydrophobicContact CB-CG 4.28Å; Q551-Y561 HydrophobicContact CG-CD2 4.08Å; Q551-Y561 HydrophobicContact CG-CE2 4.27Å; Q551-Y561 HydrophobicContact CG-CG 4.25Å; Q555-Y561 PolarHBondContact O-OH 2.85Å; L558-Y561 HydrophobicContact CB-CE1 4.19Å; Q559-Y561 HydrophobicContact CG-CD2 4Å; Q559-Y561 HydrophobicContact CG-CE2 3.88Å
562	P	81.7	Confident	62.8	Low	10 Å²	10	80.8 Å²	80.8	7%	0.065	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-59.9	134.1	177.9	-22.8	33.9	0	0	0	112.4	V477 W480 V547 E564 L565	V477-P562 HydrophobicContact CG1-CG 4.42Å; V477-P562 HydrophobicContact CG2-CB 4Å; V477-P562 HydrophobicContact CG2-CG 4.2Å; W480-P562 HydrophobicContact CB-CG 3.94Å; W480-P562 HydrophobicContact CD2-CG 3.87Å; W480-P562 HydrophobicContact CG-CG 3.6Å; V547-P562 HydrophobicContact CG1-CG 4.25Å; P562-E564 VanDerWaalsContact C-N 3.26Å; P562-E564 VanDerWaalsContact CB-OE2 3.27Å; P562-E564 WeakPolarHBondContact CB-OE2 3.1Å; P562-E564 PolarHBondContact O-N 2.62Å; P562-L565 HydrophobicContact CB-CD1 4.44Å; P562-L565 HydrophobicContact CG-CD1 4.44Å
563	P	62.5	Low	60.2	Low	100 Å²	100	81.7 Å²	81.7	65%	0.649	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-66.7	-25.9	-177	27.3	-34.9	0	0	0	113.3	L565 S566	P563-L565 PolarHBondContact O-N 3.46Å; P563-S566 PolarHBondContact O-N 2.88Å; P563-S566 PolarHBondContact O-OG 3.08Å; P563-S566 VanDerWaalsContact O-OG 3.09Å
564	E	64.7	Low	57.8	Low	76 Å²	76	85.8 Å²	85.8	36%	0.355	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-69.8	-0.5	-176.3	-50.2	85.7	167.9	0	0	114	P476 R544 P562 S566	P476-E564 WeakPolarHBondContact CB-OE1 3.48Å; P476-E564 HydrophobicContact CG-CG 4.43Å; R544-E564 PolarHBondContact NH1-O 2.78Å; P562-E564 VanDerWaalsContact C-N 3.26Å; P562-E564 VanDerWaalsContact CB-OE2 3.27Å; P562-E564 WeakPolarHBondContact CB-OE2 3.1Å; P562-E564 PolarHBondContact O-N 2.62Å; E564-S566 VanDerWaalsContact C-N 3.3Å
565	L	66	Low	55.5	Low	8 Å²	8	83.2 Å²	83.2	4%	0.042	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-80	-10.7	173.7	-66.5	168.4	0	0	0	113.1	R544 V547 R548 P562 P563	R544-L565 HydrophobicContact CB-CD2 4.26Å; R544-L565 HydrophobicContact CG-CD2 4.23Å; V547-L565 HydrophobicContact CB-CD1 4.37Å; V547-L565 HydrophobicContact CG1-CD1 3.78Å; R548-L565 HydrophobicContact CB-CD2 4.42Å; R548-L565 PolarHBondContact NH1-O 2.71Å; P562-L565 HydrophobicContact CB-CD1 4.44Å; P562-L565 HydrophobicContact CG-CD1 4.44Å; P563-L565 PolarHBondContact O-N 3.46Å
566	S	48.3	Very low	53.3	Low	98 Å²	98	86.7 Å²	86.7	69%	0.685	56%	0.563	S	S	*	*	S	Bend	trans	-84.6	-13.2	-168.5	-54.2	0	0	0	0	115.5	P563 E564	P563-S566 PolarHBondContact O-N 2.88Å; P563-S566 PolarHBondContact O-OG 3.08Å; P563-S566 VanDerWaalsContact O-OG 3.09Å; E564-S566 VanDerWaalsContact C-N 3.3Å
567	S	37.8	Very low	52.2	Low	98 Å²	98	86.5 Å²	86.5	69%	0.685	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-90.9	127.8	-175.4	-62.4	0	0	0	0	113
568	P	40.4	Very low	50.3	Low	120 Å²	120	90 Å²	90	78%	0.779	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-74.2	151.5	164.7	32	-33.1	0	0	0	110.9	A570	P568-A570 PolarHBondContact O-N 2.88Å
569	V	40.6	Very low	48	Very low	137 Å²	137	97.9 Å²	97.9	83%	0.83	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-70.8	122.9	-177.2	177.7	0	0	0	0	111	V571	V569-V571 HydrophobicContact CG1-CG2 4.49Å
570	A	28.9	Very low	46	Very low	93 Å²	93	97.4 Å²	97.4	77%	0.769	63%	0.634	S	S	*	*			trans	-93.2	114.7	162.9	0	0	0	0	0	109.2	P568	P568-A570 PolarHBondContact O-N 2.88Å
571	V	33.6	Very low	43.7	Very low	118 Å²	118	99.7 Å²	99.7	72%	0.715	65%	0.645	S	S	*	*			trans	-74	128.2	173.4	179.4	0	0	0	0	108.8	V569 S573	V569-V571 HydrophobicContact CG1-CG2 4.49Å; V571-S573 PolarHBondContact O-N 3.06Å
572	P	32.8	Very low	41.2	Very low	121 Å²	121	103 Å²	103	79%	0.786	67%	0.673	S	S	*	*			trans	-70.9	102.7	171.4	28.9	-32.5	0	0	0	109.5
573	S	30.1	Very low	38.8	Very low	99 Å²	99	112.8 Å²	112.8	69%	0.692	71%	0.711	S	S	*	*			trans	-68.3	138.8	171.3	49.3	0	0	0	0	110.5	V571 S575	V571-S573 PolarHBondContact O-N 3.06Å; S573-S575 PolarHBondContact O-N 3.16Å
574	P	36.4	Very low	37.4	Very low	132 Å²	132	115 Å²	115	86%	0.857	72%	0.717	S	S	*	*			trans	-70.3	104.5	177	28	-33.3	0	0	0	109.9	A576	P574-A576 PolarHBondContact O-N 2.89Å
575	S	32	Very low	35.8	Very low	113 Å²	113	119 Å²	119	79%	0.79	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-66.2	121.1	174.8	54.7	0	0	0	0	110.8	S573	S573-S575 PolarHBondContact O-N 3.16Å
576	A	34.5	Very low	34.8	Very low	86 Å²	86	124 Å²	124	71%	0.711	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-61.6	147	175.2	0	0	0	0	0	111.8	P574	P574-A576 PolarHBondContact O-N 2.89Å
577	P	38.2	Very low	34.3	Very low	116 Å²	116	130.7 Å²	130.7	75%	0.753	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-71.8	137.4	-179.5	29.4	-34.6	0	0	0	111.5
578	P	32.6	Very low	34.6	Very low	130 Å²	130	133.8 Å²	133.8	84%	0.844	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-72.6	129.4	172.1	29.8	-33.1	0	0	0	110.5
579	L	31.9	Very low	34.7	Very low	165 Å²	165	140.9 Å²	140.9	86%	0.864	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-82.3	129.3	175.6	-85.4	168.5	0	0	0	111.9
580	S	32.2	Very low	34.4	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	80%	0.796	S	S	*	*			trans	48.3	116	150.5	62.3	0	0	0	0	120
581	V	29.5	Very low	34.7	Very low	141 Å²	141	143.6 Å²	143.6	86%	0.855	80%	0.798	S	S	*	*				-127	126.5	127.1	-178.1	0	0	0	0	107.7
582	S	31.1	Very low	34.8	Very low	101 Å²	101	145 Å²	145	71%	0.706	80%	0.802	S	S	*	*			trans	-90	149.2	174.7	49.5	0	0	0	0	110.7
583	Y	30.4	Very low	34.9	Very low	216 Å²	216	146.4 Å²	146.4	85%	0.847	80%	0.803	S	S	*	*			trans	-146.7	147.7	149.4	-106.9	-71.9	0	0	0	112.3
584	N	32.6	Very low	35.2	Very low	145 Å²	145	149.4 Å²	149.4	78%	0.775	81%	0.81	S	S	*	*			trans	-67.9	158.1	-172.2	-58	-62.3	0	0	0	113.5
585	N	31.9	Very low	35.1	Very low	162 Å²	162	150.5 Å²	150.5	87%	0.866	81%	0.807	S	S	*	*			trans	-130.9	136	143.4	-131.3	-10.2	0	0	0	108.5
586	P	44.4	Very low	35.3	Very low	111 Å²	111	153.2 Å²	153.2	72%	0.721	81%	0.808	S	S	*	*			trans	-89.3	161.7	-162.1	35	-35.7	0	0	0	114.4
587	R	38.4	Very low	35.4	Very low	239 Å²	239	158.4 Å²	158.4	90%	0.902	82%	0.816	S	S	*	*			trans	-68	140.4	166.6	-70.3	176.4	171.2	169.4	-4.6	111.6
588	K	43.6	Very low	35.2	Very low	163 Å²	163	161.9 Å²	161.9	71%	0.709	82%	0.821	S	S	*	*			trans	158.3	148.8	135.4	-91.1	166.9	173.9	-162.6	0	109.7
589	Y	43.5	Very low	35.4	Very low	269 Å²	269	164.8 Å²	164.8	100%	1.055	82%	0.819	S	S	*	*			cis	-111.2	0	-0.3	-97	-85.9	0	0	0	111.6

Retrieved 589 of 589 residues in 439.5 ms (Link to these results)

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