A0A3Q0KF67_SCHMA Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KF67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 825 aa.

						>A0A3Q0KF67_SCHMA|A0A3Q0KF67
MGCVNTKSILNKSIEDIEKPEVLLKIVLIFSQPDKQTQFMINAAQQLKHNCILINTMMDNNTTKDIDKIMNEKLIDLQQIIDMVVLDLRKLKSNGSFSIPSIRSSQCREIIISNNNISPSLSNWCKQLRSYPPTKDSVIVGLLSRKCSNDQRKILMNKALKSGCNKCIFEASTVDDFYEELKNFANNEWKLLNQLRNFIYTNNITNNTTNNTTTSPPPTTSTTTNNNTITTKATNIITTSNNNDFIVESENNQSNLELNEISPKDECRYQMKSETRQPTIKESVDNEITSTDELKANVIDSVTVLHEQGKKFREFISLVFITEFYTNNIVSLSALLHSRCPDFSSPMCKVIGILNSARVRSPLPVAKDLQKAINLICSSNVFVDQIMKPLSRTNDPITADLIEGLITGSNLAREPENLLKLRSLAKSLKGSENASTTLSTLKNSPEIEACLSNFDKWDFNIFDLERITNKKPLTCLGMKILDSFNALSVLRIPSQILVGWLTVIEEHYHVDNPYHNATHAGDVLQASAYFLQHSLIRSICTNIDEVATLLAAIVHDVDHPGKTNPFLVNSNDPLAILYNDIAVLESHHAAVSFELTLRSPDINIFQNLTREEYRTMRSYIVDMVLATEMVRHFDIVTKFVNTLSKPMLAKNRHHDRSSVGSMSSMESCSMGMTISHSTSPSPGQERISSTLENLSTAENRTLIKRLIIKCSDVNNPTRPLSICKEWATRIAEEYFCQTEEEKRRNLPIVMPNFDRQTCNISQSQLSFIDFFLKGMFSGFDCVFPIPELMNNLENNTTYWASNIDREKKQHGTCPVELKPTTIHQE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	33.3	Very low	241 Å²	241	127.2 Å²	127.2	100%	1.187	73%	0.73	S	S	*	*				0	127.4	0	-81.3	174.9	171.5	0	0	107.5	C3	M1-C3 PolarHBondContact O-N 2.78Å
2	G	34.6	Very low	32.9	Very low	73 Å²	73	132.3 Å²	132.3	75%	0.753	74%	0.738	S	S	*	*			trans	-56.2	127.3	-160.1	0	0	0	0	0	114.5	V4	G2-V4 VanDerWaalsContact C-N 3.25Å; G2-V4 PolarHBondContact O-N 3.25Å
3	C	30.5	Very low	33	Very low	134 Å²	134	128.2 Å²	128.2	91%	0.905	72%	0.724	S	S	*	*			trans	-62.9	88.1	164.1	-70.7	0	0	0	0	108.7	M1 N5	M1-C3 PolarHBondContact O-N 2.78Å; C3-N5 PolarHBondContact O-N 3.26Å
4	V	35	Very low	32.9	Very low	118 Å²	118	128.7 Å²	128.7	72%	0.715	72%	0.721	S	S	*	*			trans	-68.8	116.4	166.3	179.3	0	0	0	0	106.7	G2 T6	G2-V4 VanDerWaalsContact C-N 3.25Å; G2-V4 PolarHBondContact O-N 3.25Å; V4-T6 PolarHBondContact O-N 2.59Å
5	N	33.7	Very low	32.8	Very low	124 Å²	124	131.1 Å²	131.1	66%	0.663	72%	0.724	S	S	*	*			trans	-62.1	91.9	-173.1	-153.5	-7.8	0	0	0	110.4	C3 K7 S8	C3-N5 PolarHBondContact O-N 3.26Å; N5-K7 PolarHBondContact O-N 3.11Å; N5-S8 PolarHBondContact O-N 2.93Å
6	T	34.7	Very low	32.7	Very low	102 Å²	102	131.6 Å²	131.6	63%	0.626	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-9	-178.6	26.9	0	0	0	0	114	V4 S8	V4-T6 PolarHBondContact O-N 2.59Å; T6-S8 VanDerWaalsContact C-N 3.32Å; T6-S8 PolarHBondContact O-N 2.68Å
7	K	34.1	Very low	32.7	Very low	168 Å²	168	132.7 Å²	132.7	73%	0.73	73%	0.728	S	S	*	*	H	α-helix	trans	-68	-24.7	177.3	-111	-179.7	177.8	179.4	0	114.2	N5	N5-K7 PolarHBondContact O-N 3.11Å
8	S	35.6	Very low	32.7	Very low	87 Å²	87	133.3 Å²	133.3	61%	0.608	73%	0.725	S	S	*	*	H	α-helix	trans	-86.8	-22.5	-179.3	80.7	0	0	0	0	114.1	N5 T6	N5-S8 PolarHBondContact O-N 2.93Å; T6-S8 VanDerWaalsContact C-N 3.32Å; T6-S8 PolarHBondContact O-N 2.68Å
9	I	34	Very low	33.2	Very low	112 Å²	112	135.7 Å²	135.7	57%	0.574	73%	0.728	S	S	*	*	H	α-helix	trans	-82.4	-33	-179.6	-60.4	176.9	0	0	0	110.8
10	L	29.3	Very low	33.5	Very low	111 Å²	111	135.3 Å²	135.3	58%	0.581	73%	0.733	S	S	*	*	H	α-helix	trans	-74.6	-27.9	179.6	-84.1	155.5	0	0	0	113.9
11	N	32.3	Very low	34.6	Very low	129 Å²	129	133.9 Å²	133.9	69%	0.69	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-6	-178.4	-80.8	7.5	0	0	0	115
12	K	29.2	Very low	36.2	Very low	189 Å²	189	124.9 Å²	124.9	82%	0.822	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	5.2	-178.9	-87	-168.7	174.5	-173.2	0	115.4
13	S	34.2	Very low	38.5	Very low	79 Å²	79	126.1 Å²	126.1	55%	0.552	67%	0.669	S	S	*	*	S	Bend	trans	-129.7	9.5	-175	-42.3	0	0	0	0	114.8
14	I	31.7	Very low	41.1	Very low	135 Å²	135	119.7 Å²	119.7	69%	0.692	63%	0.626	S	S	*	*	S	Bend	trans	-112.9	-11.8	179.8	-59.3	178.4	0	0	0	112.2	D16	I14-D16 PolarHBondContact O-N 2.67Å
15	E	31.1	Very low	43.7	Very low	164 Å²	164	117 Å²	117	77%	0.766	60%	0.604	S	S	*	*	S	Bend	trans	-75.5	117.2	161.9	-72.2	177.6	168.7	0	0	108.3
16	D	31.8	Very low	46.4	Very low	139 Å²	139	111.3 Å²	111.3	74%	0.743	57%	0.574	S	S	*	*			trans	75.3	42.4	159.8	-51.2	-24.3	0	0	0	119.9	I14 E18	I14-D16 PolarHBondContact O-N 2.67Å; D16-E18 PolarHBondContact O-N 2.89Å
17	I	32.7	Very low	49	Very low	151 Å²	151	106.6 Å²	106.6	77%	0.774	54%	0.544	S	S	*	.			trans	-78.3	73.5	144.6	-52.5	179.5	0	0	0	107	K19	I17-K19 PolarHBondContact O-N 2.85Å
18	E	32.3	Very low	51.6	Low	143 Å²	143	98.6 Å²	98.6	67%	0.668	51%	0.51	S	S	*	.			trans	-51.5	110.8	167.4	-81.1	-173.6	153	0	0	107.6	D16	D16-E18 PolarHBondContact O-N 2.89Å
19	K	42.2	Very low	54	Low	180 Å²	180	95 Å²	95	78%	0.783	48%	0.484	S	S	*	.			trans	-52.5	143.6	169.9	-70.8	174.3	-179.4	169.6	0	107.6	I17 E21	I17-K19 PolarHBondContact O-N 2.85Å; K19-E21 PolarHBondContact O-N 3.42Å
20	P	39.2	Very low	56.3	Low	126 Å²	126	89.7 Å²	89.7	82%	0.818	46%	0.457	S	S	*	.			trans	-57.4	108.4	176.6	22.6	-30.9	0	0	0	108.7	V22	P20-V22 PolarHBondContact O-N 3.34Å
21	E	56.2	Low	58.2	Low	107 Å²	107	85 Å²	85	50%	0.5	43%	0.433	S	S	.	.			trans	-57.6	125.7	175.5	-76.7	-177.3	139.5	0	0	107.6	K19 L23 K48	K19-E21 PolarHBondContact O-N 3.42Å; E21-L23 HydrophobicContact CB-CD2 4.45Å; E21-L23 PolarHBondContact O-N 2.99Å; E21-L23 VanDerWaalsContact O-N 3.1Å; E21-K48 WeakPolarHBondContact OE2-CD 3.44Å; E21-K48 IonicContact OE2-NZ 3.56Å; E21-K48 PolarHBondContact OE2-NZ 3.16Å
22	V	67.1	Low	59.9	Low	52 Å²	52	84 Å²	84	32%	0.315	42%	0.424	S	S	.	.			trans	-67.8	111.3	177.2	172.7	0	0	0	0	108	P20 L24 H49 W189	P20-V22 PolarHBondContact O-N 3.34Å; V22-L24 HydrophobicContact CG1-CD2 3.99Å; V22-L24 PolarHBondContact O-N 3Å; V22-H49 PolarHBondContact O-CE1 3.32Å; V22-H49 PolarHBondContact O-ND1 3.26Å; V22-W189 HydrophobicContact CB-CE3 4.36Å; V22-W189 HydrophobicContact CB-CH2 4.11Å; V22-W189 HydrophobicContact CB-CZ3 4.01Å; V22-W189 HydrophobicContact CG1-CD2 3.66Å; V22-W189 HydrophobicContact CG1-CE3 3.6Å; V22-W189 HydrophobicContact CG1-CH2 3.28Å; V22-W189 HydrophobicContact CG1-CZ2 3.36Å; V22-W189 HydrophobicContact CG1-CZ3 3.43Å; V22-W189 VanDerWaalsContact CG1-CZ3 3.43Å; V22-W189 HydrophobicContact CG2-CE3 4.08Å; V22-W189 HydrophobicContact CG2-CH2 3.64Å; V22-W189 HydrophobicContact CG2-CZ3 3.37Å
23	L	81.3	Confident	62.2	Low	98 Å²	98	77.9 Å²	77.9	51%	0.513	40%	0.404	S	S	.	.			trans	-87.4	101	176.8	-52.8	-177.7	0	0	0	109.6	E21 K48	E21-L23 HydrophobicContact CB-CD2 4.45Å; E21-L23 PolarHBondContact O-N 2.99Å; E21-L23 VanDerWaalsContact O-N 3.1Å; L23-K48 HydrophobicContact CD2-CB 3.89Å; L23-K48 WeakPolarHBondContact CD2-O 3Å
24	L	86.6	Confident	64.7	Low	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.39	C	S	.	.			trans	-67.1	147.8	176.5	-58.5	178.6	0	0	0	111.4	V22 I26 H49 N50 D82 F184 A185 W189	V22-L24 HydrophobicContact CG1-CD2 3.99Å; V22-L24 PolarHBondContact O-N 3Å; L24-I26 HydrophobicContact CB-CD1 4.23Å; L24-I26 HydrophobicContact CB-CG1 4.01Å; L24-H49 HydrophobicContact CB-CB 4.14Å; L24-H49 PolarHBondContact N-ND1 2.77Å; L24-N50 PolarHBondContact O-N 3.08Å; L24-D82 HydrophobicContact CD2-CB 4.27Å; L24-F184 HydrophobicContact CD1-CD1 3.55Å; L24-F184 HydrophobicContact CD1-CE1 3.96Å; L24-F184 HydrophobicContact CD2-CD1 4.36Å; L24-F184 HydrophobicContact CD2-CE1 4.11Å; L24-A185 HydrophobicContact CD1-CB 4.03Å; L24-A185 HydrophobicContact CG-CB 4.46Å; L24-W189 HydrophobicContact CD2-CB 4.12Å; L24-W189 HydrophobicContact CD2-CD2 4.1Å; L24-W189 HydrophobicContact CD2-CG 3.57Å
25	K	88	Confident	67.6	Low	62 Å²	62	76.6 Å²	76.6	27%	0.27	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.6	168.5	-66.7	169.6	-164.3	171.5	0	109.6	N50 Q79 I80 D82 M83	K25-N50 WeakPolarHBondContact CA-O 3.28Å; K25-N50 HydrophobicContact CG-CB 4.34Å; K25-Q79 HydrophobicContact CD-CB 4.13Å; K25-Q79 VanDerWaalsContact NZ-CD 3.28Å; K25-I80 WeakPolarHBondContact CD-O 3.23Å; K25-D82 PolarHBondContact N-OD2 2.77Å; K25-D82 PolarHBondContact O-N 3.47Å; K25-M83 PolarHBondContact O-N 3.07Å
26	I	91.5	Very high	70.5	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.2	-171.1	-53.7	168.2	0	0	0	108.6	L24 L28 A44 H49 N50 C51 I52 M83 V85 L181	L24-I26 HydrophobicContact CB-CD1 4.23Å; L24-I26 HydrophobicContact CB-CG1 4.01Å; I26-L28 HydrophobicContact CG2-CD2 3.84Å; I26-A44 HydrophobicContact CD1-CB 4.27Å; I26-H49 HydrophobicContact CD1-CB 4.06Å; I26-N50 PolarHBondContact N-O 2.91Å; I26-C51 CarbonylContact O-C 3.6Å; I26-C51 WeakPolarHBondContact O-CA 2.83Å; I26-I52 PolarHBondContact O-N 3.5Å; I26-M83 CarbonylContact C-O 3.58Å; I26-M83 WeakPolarHBondContact CA-O 3.43Å; I26-M83 HydrophobicContact CG1-CB 4.32Å; I26-M83 HydrophobicContact CG2-CB 4.33Å; I26-M83 HydrophobicContact CG2-CG 4.43Å; I26-M83 HydrophobicContact CG2-SD 4.35Å; I26-V85 HydrophobicContact CG2-CG2 4.31Å; I26-L181 HydrophobicContact CD1-CD1 4.12Å; I26-L181 HydrophobicContact CD1-CD2 3.68Å
27	V	88.7	Confident	73.3	Confident	2 Å²	2	63 Å²	63	1%	0.012	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125	172.1	177	0	0	0	0	109.2	I29 I52 I54 L74 I81 M83 V84 V85	V27-I29 HydrophobicContact CG1-CG1 3.98Å; V27-I52 CarbonylContact C-O 3.56Å; V27-I52 WeakPolarHBondContact CA-O 3.38Å; V27-I52 HydrophobicContact CG2-CB 4.41Å; V27-I54 HydrophobicContact CG1-CD1 3.62Å; V27-I54 HydrophobicContact CG1-CG1 4.06Å; V27-L74 HydrophobicContact CG1-CD2 4.49Å; V27-L74 HydrophobicContact CG2-CD2 4.03Å; V27-I81 HydrophobicContact CB-CG2 4.38Å; V27-I81 HydrophobicContact CG2-CD1 3.73Å; V27-I81 HydrophobicContact CG2-CG1 3.98Å; V27-I81 HydrophobicContact CG2-CG2 3.89Å; V27-M83 PolarHBondContact N-O 3.33Å; V27-V84 HydrophobicContact CB-CG2 4.47Å; V27-V84 CarbonylContact O-C 3.54Å; V27-V84 WeakPolarHBondContact O-CA 3.43Å; V27-V85 PolarHBondContact O-N 3.46Å
28	L	89.3	Confident	76.1	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.8	175	-53.3	-177.8	0	0	0	108.6	I26 F30 T37 M40 I41 C51 I52 L53 I54 V85	I26-L28 HydrophobicContact CG2-CD2 3.84Å; L28-F30 HydrophobicContact CB-CD2 3.81Å; L28-F30 HydrophobicContact CB-CE2 3.9Å; L28-T37 HydrophobicContact CD1-CG2 4.22Å; L28-M40 HydrophobicContact CD1-CB 3.96Å; L28-M40 HydrophobicContact CD1-CE 4.03Å; L28-M40 HydrophobicContact CD2-CB 4.41Å; L28-M40 HydrophobicContact CD2-CE 3.69Å; L28-M40 HydrophobicContact CD2-SD 3.95Å; L28-M40 HydrophobicContact CG-CE 4.37Å; L28-I41 HydrophobicContact CD1-CG1 3.91Å; L28-C51 WeakPolarHBondContact CD1-SG 3.33Å; L28-C51 VanDerWaalsContact CG-SG 3.57Å; L28-I52 PolarHBondContact N-O 2.86Å; L28-L53 HydrophobicContact CB-CD1 3.9Å; L28-I54 PolarHBondContact O-N 3.41Å; L28-V85 HydrophobicContact CD2-CB 3.68Å; L28-V85 HydrophobicContact CD2-CG1 4.45Å; L28-V85 HydrophobicContact CD2-CG2 3.62Å
29	I	85.3	Confident	79.1	Confident	11 Å²	11	54.6 Å²	54.6	6%	0.056	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	103.7	176.2	-49.8	179.5	0	0	0	109.3	V27 I54 T56 V84 V85 L86 D87 W124 L128	V27-I29 HydrophobicContact CG1-CG1 3.98Å; I29-I54 HydrophobicContact CG1-CB 4.41Å; I29-I54 HydrophobicContact CG1-CD1 4.36Å; I29-I54 HydrophobicContact CG2-CG2 4.43Å; I29-T56 HydrophobicContact CG2-CG2 3.84Å; I29-V84 HydrophobicContact CD1-CG1 3.8Å; I29-V84 HydrophobicContact CG1-CG1 4.25Å; I29-V85 PolarHBondContact N-O 3.47Å; I29-L86 HydrophobicContact CB-CD2 4.03Å; I29-L86 HydrophobicContact CD1-CD2 3.87Å; I29-L86 HydrophobicContact CG1-CD2 4.32Å; I29-D87 PolarHBondContact O-N 3.2Å; I29-D87 VanDerWaalsContact O-N 3.1Å; I29-W124 HydrophobicContact CB-CZ3 4.3Å; I29-W124 HydrophobicContact CD1-CZ3 3.94Å; I29-W124 HydrophobicContact CG2-CH2 3.63Å; I29-W124 HydrophobicContact CG2-CZ3 3.62Å; I29-L128 HydrophobicContact CD1-CD2 4.18Å
30	F	82.4	Confident	81.5	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.1	-173.3	-82	-109.6	0	0	0	111.1	L28 Q32 T37 M40 L53 I54 N55 T56 V85 D87 L142	L28-F30 HydrophobicContact CB-CD2 3.81Å; L28-F30 HydrophobicContact CB-CE2 3.9Å; F30-Q32 VanDerWaalsContact C-N 3.31Å; F30-Q32 PolarHBondContact O-N 2.86Å; F30-T37 VanDerWaalsContact CD1-OG1 3.23Å; F30-T37 WeakPolarHBondContact CD1-OG1 3.33Å; F30-M40 HydrophobicContact CE1-CE 4.2Å; F30-M40 HydrophobicContact CE2-CE 3.41Å; F30-M40 VanDerWaalsContact CE2-CE 3.41Å; F30-M40 HydrophobicContact CZ-CE 3.16Å; F30-L53 HydrophobicContact CB-CD1 4.06Å; F30-L53 HydrophobicContact CD2-CD1 4.25Å; F30-L53 HydrophobicContact CG-CD1 4.39Å; F30-I54 PolarHBondContact N-O 2.98Å; F30-I54 VanDerWaalsContact O-O 3.14Å; F30-N55 WeakPolarHBondContact O-CA 3.11Å; F30-T56 PolarHBondContact O-N 3.08Å; F30-V85 HydrophobicContact CE2-CG1 4.34Å; F30-D87 HydrophobicContact CD1-CB 3.84Å; F30-D87 HydrophobicContact CD2-CB 4.37Å; F30-D87 HydrophobicContact CE1-CB 3.92Å; F30-D87 HydrophobicContact CE2-CB 4.4Å; F30-D87 HydrophobicContact CG-CB 4.05Å; F30-D87 HydrophobicContact CZ-CB 4.17Å; F30-L142 HydrophobicContact CE1-CD2 3.75Å; F30-L142 HydrophobicContact CZ-CD2 3.52Å
31	S	68.5	Low	84	Confident	13 Å²	13	41.8 Å²	41.8	9%	0.091	21%	0.207	C	C	.	.	S	Bend	trans	-60.8	-41.5	174.2	56.1	0	0	0	0	113.3	N55 T56 M57	S31-N55 PolarHBondContact O-OD1 3.31Å; S31-T56 WeakPolarHBondContact CA-OG1 3.42Å; S31-M57 WeakPolarHBondContact O-CB 3.44Å; S31-M57 WeakPolarHBondContact O-CG 3.33Å; S31-M57 PolarHBondContact O-N 3.36Å
32	Q	68.8	Low	85.7	Confident	106 Å²	106	39.5 Å²	39.5	50%	0.495	20%	0.198	S	C	.	.	S	Bend	trans	-157.5	145.9	176.2	59.8	-171.1	-0.3	0	0	107.4	F30 D34	F30-Q32 VanDerWaalsContact C-N 3.31Å; F30-Q32 PolarHBondContact O-N 2.86Å; Q32-D34 PolarHBondContact O-N 3.05Å
33	P	77.8	Confident	86.9	Confident	62 Å²	62	37 Å²	37	40%	0.403	18%	0.183	S	C	.	.			trans	-60.2	131.5	174.3	-17.2	25.7	0	0	0	110.2	L53 N55	P33-L53 HydrophobicContact CB-CD2 4Å; P33-L53 HydrophobicContact CG-CD2 3.88Å; P33-N55 WeakPolarHBondContact CD-ND2 3.39Å
34	D	87.1	Confident	87.4	Confident	47 Å²	47	32.3 Å²	32.3	25%	0.251	16%	0.159	S	C	.	.			trans	-141.6	-170.5	174.5	71.2	14	0	0	0	112	Q32 Q36 T37 Q38 R89	Q32-D34 PolarHBondContact O-N 3.05Å; D34-Q36 VanDerWaalsContact C-N 3.25Å; D34-Q36 PolarHBondContact O-N 3.4Å; D34-Q36 WeakPolarHBondContact OD1-CA 3.31Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.39Å; D34-Q36 PolarHBondContact OD1-N 3.03Å; D34-T37 PolarHBondContact N-OG1 2.84Å; D34-T37 VanDerWaalsContact N-OG1 3.12Å; D34-T37 WeakPolarHBondContact O-CB 3.26Å; D34-T37 PolarHBondContact O-N 3.45Å; D34-T37 VanDerWaalsContact O-N 3.11Å; D34-T37 PolarHBondContact OD1-N 3.17Å; D34-T37 VanDerWaalsContact OD1-N 3.1Å; D34-T37 PolarHBondContact OD1-OG1 3.35Å; D34-Q38 WeakPolarHBondContact O-CG 3.2Å; D34-Q38 PolarHBondContact O-N 2.76Å; D34-R89 IonicContact OD1-NH1 2.82Å; D34-R89 IonicContact OD1-NH2 2.67Å; D34-R89 IonicContact OD2-CZ 2.85Å; D34-R89 IonicContact OD2-NH1 2.77Å; D34-R89 PolarHBondContact OD2-NH1 2.87Å; D34-R89 IonicContact OD2-NH2 3.58Å; D34-R89 PolarHBondContact OD2-NH2 2.84Å
35	K	91.2	Very high	87.5	Confident	139 Å²	139	38.2 Å²	38.2	60%	0.604	19%	0.186	S	C	*	.	H	α-helix	trans	-57.1	-36.2	-179.6	-173	172	175.4	176.7	0	113.1	Q38 F39	K35-Q38 PolarHBondContact O-N 3.46Å; K35-F39 HydrophobicContact CD-CE2 4.4Å; K35-F39 HydrophobicContact CD-CZ 4.08Å; K35-F39 HydrophobicContact CG-CD1 4.36Å; K35-F39 HydrophobicContact CG-CD2 4.46Å; K35-F39 HydrophobicContact CG-CE1 3.96Å; K35-F39 HydrophobicContact CG-CE2 4.06Å; K35-F39 HydrophobicContact CG-CZ 3.85Å; K35-F39 WeakPolarHBondContact O-CD1 3Å; K35-F39 VanDerWaalsContact O-CG 3.22Å; K35-F39 WeakPolarHBondContact O-CG 3.2Å; K35-F39 PolarHBondContact O-N 2.98Å
36	Q	92.1	Very high	87.5	Confident	17 Å²	17	40.3 Å²	40.3	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-39.4	178	-63	-62.4	-47.4	0	0	110.9	D34 Q38 F39 M40 R89 L142 E170 A171	D34-Q36 VanDerWaalsContact C-N 3.25Å; D34-Q36 PolarHBondContact O-N 3.4Å; D34-Q36 WeakPolarHBondContact OD1-CA 3.31Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.39Å; D34-Q36 PolarHBondContact OD1-N 3.03Å; Q36-Q38 VanDerWaalsContact C-N 3.35Å; Q36-F39 PolarHBondContact O-N 3.21Å; Q36-M40 PolarHBondContact O-N 2.97Å; Q36-M40 VanDerWaalsContact O-N 3.08Å; Q36-R89 VanDerWaalsContact CG-NH1 3.33Å; Q36-L142 HydrophobicContact CB-CD2 4.2Å; Q36-E170 HydrophobicContact CG-CB 4.4Å; Q36-E170 HydrophobicContact CG-CG 4.09Å; Q36-A171 PolarHBondContact NE2-O 3.48Å
37	T	90.5	Very high	87.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-47.1	173	-43.1	0	0	0	0	111.3	L28 F30 D34 F39 M40 I41 L53	L28-T37 HydrophobicContact CD1-CG2 4.22Å; F30-T37 VanDerWaalsContact CD1-OG1 3.23Å; F30-T37 WeakPolarHBondContact CD1-OG1 3.33Å; D34-T37 PolarHBondContact N-OG1 2.84Å; D34-T37 VanDerWaalsContact N-OG1 3.12Å; D34-T37 WeakPolarHBondContact O-CB 3.26Å; D34-T37 PolarHBondContact O-N 3.45Å; D34-T37 VanDerWaalsContact O-N 3.11Å; D34-T37 PolarHBondContact OD1-N 3.17Å; D34-T37 VanDerWaalsContact OD1-N 3.1Å; D34-T37 PolarHBondContact OD1-OG1 3.35Å; T37-F39 VanDerWaalsContact C-N 3.34Å; T37-F39 PolarHBondContact O-N 3.11Å; T37-M40 PolarHBondContact O-N 3.46Å; T37-I41 HydrophobicContact CG2-CD1 3.96Å; T37-I41 WeakPolarHBondContact O-CG1 3.22Å; T37-I41 PolarHBondContact O-N 3.39Å; T37-L53 HydrophobicContact CG2-CD1 3.35Å; T37-L53 HydrophobicContact CG2-CD2 3.52Å; T37-L53 HydrophobicContact CG2-CG 4.02Å
38	Q	91.4	Very high	87.2	Confident	92 Å²	92	46.7 Å²	46.7	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-40	177.9	-68.1	-61.5	-42.4	0	0	112.1	D34 K35 Q36 M40 I41 N42	D34-Q38 WeakPolarHBondContact O-CG 3.2Å; D34-Q38 PolarHBondContact O-N 2.76Å; K35-Q38 PolarHBondContact O-N 3.46Å; Q36-Q38 VanDerWaalsContact C-N 3.35Å; Q38-M40 PolarHBondContact O-N 2.79Å; Q38-I41 PolarHBondContact O-N 3.11Å; Q38-N42 WeakPolarHBondContact O-CB 3.05Å; Q38-N42 PolarHBondContact O-N 3.33Å; Q38-N42 PolarHBondContact O-ND2 3.12Å; Q38-N42 PolarHBondContact O-OD1 2.8Å
39	F	95.5	Very high	87.1	Confident	27 Å²	27	47.3 Å²	47.3	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-43	176.3	-70.8	-10.3	0	0	0	112.7	K35 Q36 T37 A43 A171 S172 V174 F177	K35-F39 HydrophobicContact CD-CE2 4.4Å; K35-F39 HydrophobicContact CD-CZ 4.08Å; K35-F39 HydrophobicContact CG-CD1 4.36Å; K35-F39 HydrophobicContact CG-CD2 4.46Å; K35-F39 HydrophobicContact CG-CE1 3.96Å; K35-F39 HydrophobicContact CG-CE2 4.06Å; K35-F39 HydrophobicContact CG-CZ 3.85Å; K35-F39 WeakPolarHBondContact O-CD1 3Å; K35-F39 VanDerWaalsContact O-CG 3.22Å; K35-F39 WeakPolarHBondContact O-CG 3.2Å; K35-F39 PolarHBondContact O-N 2.98Å; Q36-F39 PolarHBondContact O-N 3.21Å; T37-F39 VanDerWaalsContact C-N 3.34Å; T37-F39 PolarHBondContact O-N 3.11Å; F39-A43 VanDerWaalsContact O-CB 3.28Å; F39-A43 WeakPolarHBondContact O-CB 3.38Å; F39-A43 PolarHBondContact O-N 3.05Å; F39-A171 HydrophobicContact CD2-CB 4.31Å; F39-S172 VanDerWaalsContact CE2-O 3.28Å; F39-S172 WeakPolarHBondContact CE2-O 3.22Å; F39-V174 HydrophobicContact CD1-CG2 3.74Å; F39-V174 HydrophobicContact CE1-CG2 4.16Å; F39-V174 HydrophobicContact CG-CG2 4.33Å; F39-F177 HydrophobicContact CB-CD2 3.63Å; F39-F177 HydrophobicContact CB-CE2 3.9Å
40	M	93.2	Very high	87	Confident	9 Å²	9	50.5 Å²	50.5	4%	0.044	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-40.3	177	-71.4	-166.1	-67.6	0	0	112.6	L28 F30 Q36 T37 Q38 A43 A44 V85 L142 I168 F177	L28-M40 HydrophobicContact CD1-CB 3.96Å; L28-M40 HydrophobicContact CD1-CE 4.03Å; L28-M40 HydrophobicContact CD2-CB 4.41Å; L28-M40 HydrophobicContact CD2-CE 3.69Å; L28-M40 HydrophobicContact CD2-SD 3.95Å; L28-M40 HydrophobicContact CG-CE 4.37Å; F30-M40 HydrophobicContact CE1-CE 4.2Å; F30-M40 HydrophobicContact CE2-CE 3.41Å; F30-M40 VanDerWaalsContact CE2-CE 3.41Å; F30-M40 HydrophobicContact CZ-CE 3.16Å; Q36-M40 PolarHBondContact O-N 2.97Å; Q36-M40 VanDerWaalsContact O-N 3.08Å; T37-M40 PolarHBondContact O-N 3.46Å; Q38-M40 PolarHBondContact O-N 2.79Å; M40-A43 PolarHBondContact O-N 2.83Å; M40-A44 VanDerWaalsContact O-CB 3.3Å; M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 2.9Å; M40-V85 HydrophobicContact CE-CG1 4.06Å; M40-V85 HydrophobicContact SD-CG1 4.03Å; M40-V85 HydrophobicContact SD-CG2 4.39Å; M40-L142 HydrophobicContact CE-CD2 4.4Å; M40-I168 HydrophobicContact SD-CD1 4.39Å; M40-F177 HydrophobicContact CB-CD2 4.28Å; M40-F177 HydrophobicContact CG-CB 4.33Å; M40-F177 HydrophobicContact CG-CD1 4.09Å; M40-F177 HydrophobicContact CG-CD2 3.3Å; M40-F177 HydrophobicContact CG-CE1 4.2Å; M40-F177 HydrophobicContact CG-CE2 3.41Å; M40-F177 VanDerWaalsContact CG-CE2 3.41Å; M40-F177 HydrophobicContact CG-CG 3.68Å; M40-F177 HydrophobicContact CG-CZ 3.88Å; M40-F177 HydrophobicContact SD-CE1 4.39Å; M40-F177 HydrophobicContact SD-CE2 4.35Å; M40-F177 HydrophobicContact SD-CZ 4.25Å
41	I	91.1	Very high	87.3	Confident	27 Å²	27	52 Å²	52	14%	0.138	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-46.7	176	-69.5	169	0	0	0	110.2	L28 T37 Q38 A43 A44 Q45 L53	L28-I41 HydrophobicContact CD1-CG1 3.91Å; T37-I41 HydrophobicContact CG2-CD1 3.96Å; T37-I41 WeakPolarHBondContact O-CG1 3.22Å; T37-I41 PolarHBondContact O-N 3.39Å; Q38-I41 PolarHBondContact O-N 3.11Å; I41-A43 PolarHBondContact O-N 3.27Å; I41-A44 PolarHBondContact O-N 2.96Å; I41-Q45 HydrophobicContact CG2-CG 4.37Å; I41-Q45 WeakPolarHBondContact O-CB 2.77Å; I41-Q45 VanDerWaalsContact O-CG 3.26Å; I41-Q45 WeakPolarHBondContact O-CG 3.46Å; I41-Q45 PolarHBondContact O-N 3.12Å; I41-L53 HydrophobicContact CD1-CB 4.45Å; I41-L53 HydrophobicContact CD1-CD2 4.25Å
42	N	92.5	Very high	88	Confident	59 Å²	59	53.4 Å²	53.4	32%	0.316	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-41.6	179.1	-67.7	-6	0	0	0	111.7	Q38 Q45 Q46 V174	Q38-N42 WeakPolarHBondContact O-CB 3.05Å; Q38-N42 PolarHBondContact O-N 3.33Å; Q38-N42 PolarHBondContact O-ND2 3.12Å; Q38-N42 PolarHBondContact O-OD1 2.8Å; N42-Q45 PolarHBondContact O-N 3.22Å; N42-Q46 WeakPolarHBondContact O-CG 3.42Å; N42-Q46 PolarHBondContact O-N 3.28Å; N42-V174 HydrophobicContact CB-CG1 3.85Å; N42-V174 HydrophobicContact CB-CG2 4.12Å
43	A	92.5	Very high	88.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-43.9	176.1	0	0	0	0	0	111.7	F39 M40 I41 Q46 L47 V174 F177 L181	F39-A43 VanDerWaalsContact O-CB 3.28Å; F39-A43 WeakPolarHBondContact O-CB 3.38Å; F39-A43 PolarHBondContact O-N 3.05Å; M40-A43 PolarHBondContact O-N 2.83Å; I41-A43 PolarHBondContact O-N 3.27Å; A43-Q46 PolarHBondContact O-N 2.85Å; A43-L47 PolarHBondContact O-N 2.8Å; A43-V174 HydrophobicContact CB-CG1 3.98Å; A43-F177 HydrophobicContact CB-CB 3.86Å; A43-L181 HydrophobicContact CB-CD1 4.1Å
44	A	90.7	Very high	88.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-42.3	175.1	0	0	0	0	0	111.7	I26 M40 I41 L47 K48 H49 C51 L181	I26-A44 HydrophobicContact CD1-CB 4.27Å; M40-A44 VanDerWaalsContact O-CB 3.3Å; M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 2.9Å; I41-A44 PolarHBondContact O-N 2.96Å; A44-L47 CarbonylContact O-C 3.41Å; A44-L47 PolarHBondContact O-N 3.1Å; A44-K48 CarbonylContact O-C 3.58Å; A44-K48 PolarHBondContact O-N 3.48Å; A44-H49 HydrophobicContact CB-CB 4.18Å; A44-H49 PolarHBondContact O-N 2.75Å; A44-C51 HydrophobicContact CB-CB 3.79Å; A44-L181 HydrophobicContact CB-CD1 4.09Å
45	Q	89.2	Confident	88	Confident	123 Å²	123	46.6 Å²	46.6	58%	0.575	23%	0.225	S	C	*	.	H	α-helix	trans	-63.5	-39.8	176.1	-76.1	173.6	-10.8	0	0	112.7	I41 N42 L47 K48	I41-Q45 HydrophobicContact CG2-CG 4.37Å; I41-Q45 WeakPolarHBondContact O-CB 2.77Å; I41-Q45 VanDerWaalsContact O-CG 3.26Å; I41-Q45 WeakPolarHBondContact O-CG 3.46Å; I41-Q45 PolarHBondContact O-N 3.12Å; N42-Q45 PolarHBondContact O-N 3.22Å; Q45-L47 PolarHBondContact O-N 2.82Å; Q45-K48 PolarHBondContact O-N 2.77Å
46	Q	88.7	Confident	86.8	Confident	106 Å²	106	41.3 Å²	41.3	50%	0.495	21%	0.205	S	C	.	.	H	α-helix	trans	-61	-35.1	174.1	-75.7	176.8	2.2	0	0	112.1	N42 A43 K48 Y178	N42-Q46 WeakPolarHBondContact O-CG 3.42Å; N42-Q46 PolarHBondContact O-N 3.28Å; A43-Q46 PolarHBondContact O-N 2.85Å; Q46-K48 VanDerWaalsContact C-N 3.31Å; Q46-Y178 HydrophobicContact CB-CD2 3.93Å; Q46-Y178 HydrophobicContact CB-CE2 4.04Å
47	L	86.7	Confident	85.2	Confident	21 Å²	21	43.5 Å²	43.5	11%	0.11	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	6.6	174.4	-65.9	169.1	0	0	0	113.4	A43 A44 Q45 H49 Y178 L181 K182	A43-L47 PolarHBondContact O-N 2.8Å; A44-L47 CarbonylContact O-C 3.41Å; A44-L47 PolarHBondContact O-N 3.1Å; Q45-L47 PolarHBondContact O-N 2.82Å; L47-H49 PolarHBondContact O-N 3.19Å; L47-H49 PolarHBondContact O-ND1 3.17Å; L47-Y178 HydrophobicContact CD1-CD2 4.11Å; L47-Y178 HydrophobicContact CD1-CE2 4.31Å; L47-Y178 HydrophobicContact CD2-CD2 3.95Å; L47-Y178 HydrophobicContact CD2-CE2 3.3Å; L47-Y178 HydrophobicContact CG-CD2 3.7Å; L47-Y178 HydrophobicContact CG-CE2 3.52Å; L47-L181 HydrophobicContact CD1-CB 3.53Å; L47-L181 HydrophobicContact CD1-CD1 4.43Å; L47-K182 HydrophobicContact CD1-CB 4.42Å; L47-K182 HydrophobicContact CD2-CB 4.5Å
48	K	86.1	Confident	83.2	Confident	119 Å²	119	50.6 Å²	50.6	52%	0.517	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	15.5	-175.5	-51.8	175	-165.5	150.7	0	114.8	E21 L23 A44 Q45 Q46	E21-K48 WeakPolarHBondContact OE2-CD 3.44Å; E21-K48 IonicContact OE2-NZ 3.56Å; E21-K48 PolarHBondContact OE2-NZ 3.16Å; L23-K48 HydrophobicContact CD2-CB 3.89Å; L23-K48 WeakPolarHBondContact CD2-O 3Å; A44-K48 CarbonylContact O-C 3.58Å; A44-K48 PolarHBondContact O-N 3.48Å; Q45-K48 PolarHBondContact O-N 2.77Å; Q46-K48 VanDerWaalsContact C-N 3.31Å
49	H	88.6	Confident	81.2	Confident	15 Å²	15	48.2 Å²	48.2	7%	0.069	24%	0.241	C	C	.	.			trans	-70.1	146.6	177.4	-62.3	-24.2	0	0	0	111.4	V22 L24 I26 A44 L47 C51	V22-H49 PolarHBondContact O-CE1 3.32Å; V22-H49 PolarHBondContact O-ND1 3.26Å; L24-H49 HydrophobicContact CB-CB 4.14Å; L24-H49 PolarHBondContact N-ND1 2.77Å; I26-H49 HydrophobicContact CD1-CB 4.06Å; A44-H49 HydrophobicContact CB-CB 4.18Å; A44-H49 PolarHBondContact O-N 2.75Å; L47-H49 PolarHBondContact O-N 3.19Å; L47-H49 PolarHBondContact O-ND1 3.17Å; H49-C51 PolarHBondContact O-N 3.34Å
50	N	83	Confident	78.8	Confident	78 Å²	78	53.6 Å²	53.6	42%	0.417	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.6	175.8	-174.4	0.4	0	0	0	109.6	L24 K25 I26	L24-N50 PolarHBondContact O-N 3.08Å; K25-N50 WeakPolarHBondContact CA-O 3.28Å; K25-N50 HydrophobicContact CG-CB 4.34Å; I26-N50 PolarHBondContact N-O 2.91Å
51	C	87.2	Confident	76.3	Confident	31 Å²	31	54.5 Å²	54.5	21%	0.209	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122	-177.1	-166.8	0	0	0	0	110.9	I26 L28 A44 H49	I26-C51 CarbonylContact O-C 3.6Å; I26-C51 WeakPolarHBondContact O-CA 2.83Å; L28-C51 WeakPolarHBondContact CD1-SG 3.33Å; L28-C51 VanDerWaalsContact CG-SG 3.57Å; A44-C51 HydrophobicContact CB-CB 3.79Å; H49-C51 PolarHBondContact O-N 3.34Å
52	I	83.8	Confident	73.8	Confident	43 Å²	43	58.8 Å²	58.8	22%	0.221	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.5	-178.9	-60	171.4	0	0	0	108.7	I26 V27 L28 L77	I26-I52 PolarHBondContact O-N 3.5Å; V27-I52 CarbonylContact C-O 3.56Å; V27-I52 WeakPolarHBondContact CA-O 3.38Å; V27-I52 HydrophobicContact CG2-CB 4.41Å; L28-I52 PolarHBondContact N-O 2.86Å; I52-L77 HydrophobicContact CD1-CD1 3.38Å; I52-L77 HydrophobicContact CD1-CD2 3.49Å; I52-L77 VanDerWaalsContact CD1-CD2 3.49Å; I52-L77 HydrophobicContact CD1-CG 4.07Å
53	L	83.5	Confident	71.5	Confident	52 Å²	52	60 Å²	60	27%	0.272	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.6	176	177.9	60.4	0	0	0	111	L28 F30 P33 T37 I41	L28-L53 HydrophobicContact CB-CD1 3.9Å; F30-L53 HydrophobicContact CB-CD1 4.06Å; F30-L53 HydrophobicContact CD2-CD1 4.25Å; F30-L53 HydrophobicContact CG-CD1 4.39Å; P33-L53 HydrophobicContact CB-CD2 4Å; P33-L53 HydrophobicContact CG-CD2 3.88Å; T37-L53 HydrophobicContact CG2-CD1 3.35Å; T37-L53 HydrophobicContact CG2-CD2 3.52Å; T37-L53 HydrophobicContact CG2-CG 4.02Å; I41-L53 HydrophobicContact CD1-CB 4.45Å; I41-L53 HydrophobicContact CD1-CD2 4.25Å
54	I	78.1	Confident	69.1	Low	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.3	169.7	-60.6	-179.3	0	0	0	108.2	V27 L28 I29 F30 I69 K73 L74	V27-I54 HydrophobicContact CG1-CD1 3.62Å; V27-I54 HydrophobicContact CG1-CG1 4.06Å; L28-I54 PolarHBondContact O-N 3.41Å; I29-I54 HydrophobicContact CG1-CB 4.41Å; I29-I54 HydrophobicContact CG1-CD1 4.36Å; I29-I54 HydrophobicContact CG2-CG2 4.43Å; F30-I54 PolarHBondContact N-O 2.98Å; F30-I54 VanDerWaalsContact O-O 3.14Å; I54-I69 HydrophobicContact CD1-CG2 3.97Å; I54-I69 HydrophobicContact CG2-CG2 3.57Å; I54-K73 HydrophobicContact CG1-CD 4.37Å; I54-L74 HydrophobicContact CD1-CD2 4.18Å
55	N	72.5	Confident	67	Low	21 Å²	21	72.5 Å²	72.5	11%	0.112	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	107.9	177.4	178	-6.2	0	0	0	110.3	F30 S31 P33 M57 M58 D59	F30-N55 WeakPolarHBondContact O-CA 3.11Å; S31-N55 PolarHBondContact O-OD1 3.31Å; P33-N55 WeakPolarHBondContact CD-ND2 3.39Å; N55-M57 VanDerWaalsContact C-N 3.27Å; N55-M57 PolarHBondContact O-N 3.5Å; N55-M57 PolarHBondContact OD1-N 3.46Å; N55-M58 HydrophobicContact CB-CB 4.49Å; N55-M58 WeakPolarHBondContact ND2-CB 3.47Å; N55-M58 WeakPolarHBondContact ND2-CG 3.42Å; N55-M58 PolarHBondContact OD1-N 3.44Å; N55-D59 PolarHBondContact O-N 3.46Å
56	T	66.3	Low	65.2	Low	28 Å²	28	67.3 Å²	67.3	17%	0.172	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.6	-175.2	72.4	0	0	0	0	114.7	I29 F30 S31	I29-T56 HydrophobicContact CG2-CG2 3.84Å; F30-T56 PolarHBondContact O-N 3.08Å; S31-T56 WeakPolarHBondContact CA-OG1 3.42Å
57	M	57.9	Low	63.4	Low	62 Å²	62	66.5 Å²	66.5	31%	0.305	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-34.9	177.5	-79.3	-71.6	-139.2	0	0	113.9	S31 N55 P100 I102	S31-M57 WeakPolarHBondContact O-CB 3.44Å; S31-M57 WeakPolarHBondContact O-CG 3.33Å; S31-M57 PolarHBondContact O-N 3.36Å; N55-M57 VanDerWaalsContact C-N 3.27Å; N55-M57 PolarHBondContact O-N 3.5Å; N55-M57 PolarHBondContact OD1-N 3.46Å; M57-P100 HydrophobicContact CE-CB 3.36Å; M57-P100 HydrophobicContact CG-CB 4.06Å; M57-P100 HydrophobicContact SD-CB 3.81Å; M57-I102 HydrophobicContact SD-CD1 4.34Å; M57-I102 HydrophobicContact SD-CG1 3.8Å
58	M	49.6	Very low	62	Low	150 Å²	150	69.5 Å²	69.5	74%	0.739	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-29.2	-178.7	-71.6	-76.5	-82.3	0	0	112.3	N55 N60	N55-M58 HydrophobicContact CB-CB 4.49Å; N55-M58 WeakPolarHBondContact ND2-CB 3.47Å; N55-M58 WeakPolarHBondContact ND2-CG 3.42Å; N55-M58 PolarHBondContact OD1-N 3.44Å; M58-N60 PolarHBondContact O-N 3.1Å
59	D	48.9	Very low	60.6	Low	41 Å²	41	64.6 Å²	64.6	22%	0.219	34%	0.338	C	S	.	.	S	Bend	trans	-73.7	108.8	165.3	-57.6	-31.2	0	0	0	105.5	N55 N61 K73	N55-D59 PolarHBondContact O-N 3.46Å; D59-N61 PolarHBondContact O-N 3.32Å; D59-K73 IonicContact OD1-NZ 2.68Å; D59-K73 PolarHBondContact OD1-NZ 3.27Å; D59-K73 IonicContact OD2-NZ 3.19Å; D59-K73 PolarHBondContact OD2-NZ 3.29Å
60	N	44.9	Very low	59.2	Low	141 Å²	141	64 Å²	64	75%	0.754	34%	0.335	S	S	*	.			trans	-62.1	30	-179.9	-83.6	-26.8	0	0	0	114.3	M58 T62	M58-N60 PolarHBondContact O-N 3.1Å; N60-T62 PolarHBondContact O-N 2.87Å
61	N	41.5	Very low	58	Low	27 Å²	27	63.9 Å²	63.9	14%	0.144	34%	0.335	C	S	.	.			trans	-84.3	95	177.8	-68.3	-17.3	0	0	0	108.3	D59 T63 K68	D59-N61 PolarHBondContact O-N 3.32Å; N61-T63 PolarHBondContact O-N 2.68Å; N61-K68 VanDerWaalsContact OD1-CD 3.31Å; N61-K68 WeakPolarHBondContact OD1-CD 3.47Å; N61-K68 WeakPolarHBondContact OD1-CE 3.27Å; N61-K68 PolarHBondContact OD1-NZ 3.22Å
62	T	38.5	Very low	56.7	Low	118 Å²	118	67.3 Å²	67.3	72%	0.724	35%	0.348	S	S	*	.			trans	-48.4	98.3	169.1	42.7	0	0	0	0	110.9	N60 K64	N60-T62 PolarHBondContact O-N 2.87Å; T62-K64 PolarHBondContact O-N 2.7Å
63	T	42.3	Very low	55.7	Low	85 Å²	85	68.5 Å²	68.5	52%	0.521	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	28.5	5.2	156.8	49.5	0	0	0	0	122.7	N61 I99	N61-T63 PolarHBondContact O-N 2.68Å; T63-I99 HydrophobicContact CG2-CG2 3.77Å
64	K	42.2	Very low	54.5	Low	178 Å²	178	66.1 Å²	66.1	77%	0.774	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-26.1	-175.4	-76.9	-167.6	174.6	-176.9	0	114.6	T62 I66	T62-K64 PolarHBondContact O-N 2.7Å; K64-I66 PolarHBondContact O-N 2.98Å
65	D	48.5	Very low	53.4	Low	84 Å²	84	69.9 Å²	69.9	45%	0.449	36%	0.358	S	S	.	.			trans	-107.9	77.2	-174.7	-60.6	-23.8	0	0	0	111.6	D67 K68 I69	D65-D67 PolarHBondContact O-N 3.47Å; D65-K68 HydrophobicContact CB-CB 3.55Å; D65-K68 PolarHBondContact O-N 3.38Å; D65-K68 VanDerWaalsContact O-N 3.11Å; D65-I69 PolarHBondContact O-N 2.95Å
66	I	51.4	Low	52.5	Low	14 Å²	14	75.3 Å²	75.3	7%	0.072	39%	0.387	C	S	.	.	H	α-helix	trans	-50.5	-40.9	154.3	-79.2	176.9	0	0	0	108.2	K64 K68 I69 M70 W124 Q127	K64-I66 PolarHBondContact O-N 2.98Å; I66-K68 PolarHBondContact O-N 2.82Å; I66-I69 CarbonylContact O-C 3.59Å; I66-I69 PolarHBondContact O-N 3.48Å; I66-M70 HydrophobicContact CG2-CG 3.32Å; I66-M70 HydrophobicContact CG2-SD 4.12Å; I66-M70 WeakPolarHBondContact O-CB 3.32Å; I66-M70 WeakPolarHBondContact O-CG 3.19Å; I66-M70 PolarHBondContact O-N 2.84Å; I66-W124 HydrophobicContact CD1-CB 4.31Å; I66-W124 VanDerWaalsContact CD1-CD1 3.45Å; I66-W124 HydrophobicContact CD1-CD2 3.36Å; I66-W124 HydrophobicContact CD1-CE3 4.01Å; I66-W124 HydrophobicContact CD1-CG 3.49Å; I66-W124 VanDerWaalsContact CD1-CG 3.49Å; I66-W124 HydrophobicContact CD1-CH2 4.36Å; I66-W124 HydrophobicContact CD1-CZ2 3.77Å; I66-W124 HydrophobicContact CD1-CZ3 4.47Å; I66-W124 VanDerWaalsContact CD1-NE1 3.29Å; I66-W124 HydrophobicContact CG1-CD2 4.34Å; I66-W124 HydrophobicContact CG1-CH2 4.4Å; I66-W124 HydrophobicContact CG1-CZ2 3.84Å; I66-Q127 HydrophobicContact CD1-CB 4.38Å; I66-Q127 HydrophobicContact CG2-CB 4.3Å
67	D	50.7	Low	52.1	Low	89 Å²	89	76 Å²	76	48%	0.476	39%	0.389	S	S	.	.	H	α-helix	trans	-52.3	-41.1	177	-66.2	-27.9	0	0	0	112.1	D65 N71	D65-D67 PolarHBondContact O-N 3.47Å; D67-N71 WeakPolarHBondContact O-CA 3.03Å; D67-N71 WeakPolarHBondContact O-CB 3.23Å; D67-N71 PolarHBondContact O-N 3.44Å; D67-N71 PolarHBondContact O-ND2 3.47Å; D67-N71 VanDerWaalsContact O-ND2 3.08Å
68	K	56.1	Low	52.1	Low	83 Å²	83	81.7 Å²	81.7	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-69	-45.6	176.3	-172.8	174.9	175.2	-164.6	0	112.2	N61 D65 I66 M70 N71 E72	N61-K68 VanDerWaalsContact OD1-CD 3.31Å; N61-K68 WeakPolarHBondContact OD1-CD 3.47Å; N61-K68 WeakPolarHBondContact OD1-CE 3.27Å; N61-K68 PolarHBondContact OD1-NZ 3.22Å; D65-K68 HydrophobicContact CB-CB 3.55Å; D65-K68 PolarHBondContact O-N 3.38Å; D65-K68 VanDerWaalsContact O-N 3.11Å; I66-K68 PolarHBondContact O-N 2.82Å; K68-M70 VanDerWaalsContact C-N 3.34Å; K68-M70 PolarHBondContact O-N 3.49Å; K68-N71 PolarHBondContact O-N 3.24Å; K68-E72 VanDerWaalsContact CE-CD 3.42Å; K68-E72 WeakPolarHBondContact CE-OE1 3.4Å; K68-E72 WeakPolarHBondContact CE-OE2 3.33Å; K68-E72 HydrophobicContact CG-CG 4.12Å; K68-E72 IonicContact NZ-OE1 3.92Å; K68-E72 VanDerWaalsContact O-CB 3.26Å; K68-E72 WeakPolarHBondContact O-CB 3.43Å; K68-E72 WeakPolarHBondContact O-CG 3.26Å; K68-E72 PolarHBondContact O-N 2.99Å
69	I	57.5	Low	53	Low	17 Å²	17	78.9 Å²	78.9	9%	0.087	40%	0.4	C	S	.	.	H	α-helix	trans	-59.9	-45	176.7	-66.8	174.4	0	0	0	111	I54 D65 I66 K73	I54-I69 HydrophobicContact CD1-CG2 3.97Å; I54-I69 HydrophobicContact CG2-CG2 3.57Å; D65-I69 PolarHBondContact O-N 2.95Å; I66-I69 CarbonylContact O-C 3.59Å; I66-I69 PolarHBondContact O-N 3.48Å; I69-K73 WeakPolarHBondContact O-CB 3.26Å; I69-K73 PolarHBondContact O-N 2.79Å
70	M	59.1	Low	54.5	Low	3 Å²	3	81.2 Å²	81.2	2%	0.015	41%	0.412	C	S	.	.	H	α-helix	trans	-70.2	-43.9	-179.8	-57.6	-71.3	-81.6	0	0	110.1	I66 K68 L74 I75 L128 Y131 T134	I66-M70 HydrophobicContact CG2-CG 3.32Å; I66-M70 HydrophobicContact CG2-SD 4.12Å; I66-M70 WeakPolarHBondContact O-CB 3.32Å; I66-M70 WeakPolarHBondContact O-CG 3.19Å; I66-M70 PolarHBondContact O-N 2.84Å; K68-M70 VanDerWaalsContact C-N 3.34Å; K68-M70 PolarHBondContact O-N 3.49Å; M70-L74 HydrophobicContact CE-CD1 3.56Å; M70-L74 HydrophobicContact CG-CD1 4.47Å; M70-L74 WeakPolarHBondContact O-CA 3.44Å; M70-L74 VanDerWaalsContact O-CB 3.28Å; M70-L74 WeakPolarHBondContact O-CB 3.33Å; M70-L74 PolarHBondContact O-N 3.09Å; M70-L74 HydrophobicContact SD-CD1 3.26Å; M70-L74 WeakPolarHBondContact SD-CD1 3.41Å; M70-L74 HydrophobicContact SD-CG 4.27Å; M70-I75 PolarHBondContact O-N 3.27Å; M70-L128 HydrophobicContact CE-CD2 3.58Å; M70-L128 HydrophobicContact SD-CD2 3.85Å; M70-Y131 HydrophobicContact CB-CD1 4.09Å; M70-Y131 HydrophobicContact CB-CD2 4.17Å; M70-Y131 HydrophobicContact CB-CE1 3.82Å; M70-Y131 HydrophobicContact CB-CE2 3.9Å; M70-Y131 HydrophobicContact CB-CG 4.24Å; M70-Y131 HydrophobicContact CE-CD1 3.56Å; M70-Y131 HydrophobicContact CE-CE1 4.42Å; M70-Y131 HydrophobicContact CE-CG 3.62Å; M70-Y131 PolarHBondContact O-OH 2.82Å; M70-Y131 VanDerWaalsContact O-OH 3.05Å; M70-T134 HydrophobicContact CE-CG2 4.1Å; M70-T134 VanDerWaalsContact CE-OG1 3.27Å; M70-T134 WeakPolarHBondContact CE-OG1 3.45Å
71	N	57.5	Low	56.4	Low	75 Å²	75	74.6 Å²	74.6	40%	0.401	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-41.5	180	-69.4	-18.9	0	0	0	112.8	D67 K68 I75 Y131	D67-N71 WeakPolarHBondContact O-CA 3.03Å; D67-N71 WeakPolarHBondContact O-CB 3.23Å; D67-N71 PolarHBondContact O-N 3.44Å; D67-N71 PolarHBondContact O-ND2 3.47Å; D67-N71 VanDerWaalsContact O-ND2 3.08Å; K68-N71 PolarHBondContact O-N 3.24Å; N71-I75 HydrophobicContact CB-CD1 3.87Å; N71-I75 WeakPolarHBondContact O-CB 3.36Å; N71-I75 WeakPolarHBondContact O-CG1 3.46Å; N71-I75 WeakPolarHBondContact OD1-CD1 3.45Å; N71-Y131 WeakPolarHBondContact CA-OH 3.29Å; N71-Y131 PolarHBondContact N-OH 3.11Å; N71-Y131 WeakPolarHBondContact OD1-CE2 3.4Å; N71-Y131 PolarHBondContact OD1-OH 2.56Å
72	E	60.2	Low	58.7	Low	103 Å²	103	73.9 Å²	73.9	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-79.6	-32.8	-178.6	-69.3	177.9	164.7	0	0	113.2	K68	K68-E72 VanDerWaalsContact CE-CD 3.42Å; K68-E72 WeakPolarHBondContact CE-OE1 3.4Å; K68-E72 WeakPolarHBondContact CE-OE2 3.33Å; K68-E72 HydrophobicContact CG-CG 4.12Å; K68-E72 IonicContact NZ-OE1 3.92Å; K68-E72 VanDerWaalsContact O-CB 3.26Å; K68-E72 WeakPolarHBondContact O-CB 3.43Å; K68-E72 WeakPolarHBondContact O-CG 3.26Å; K68-E72 PolarHBondContact O-N 2.99Å
73	K	61.5	Low	61.3	Low	68 Å²	68	68.7 Å²	68.7	30%	0.296	34%	0.34	S	S	.	.	H	α-helix	trans	-111.3	-23	-173.3	-64.9	-167	174.4	173.7	0	115.4	I54 D59 I69	I54-K73 HydrophobicContact CG1-CD 4.37Å; D59-K73 IonicContact OD1-NZ 2.68Å; D59-K73 PolarHBondContact OD1-NZ 3.27Å; D59-K73 IonicContact OD2-NZ 3.19Å; D59-K73 PolarHBondContact OD2-NZ 3.29Å; I69-K73 WeakPolarHBondContact O-CB 3.26Å; I69-K73 PolarHBondContact O-N 2.79Å
74	L	60.2	Low	63.6	Low	1 Å²	1	64.6 Å²	64.6	1%	0.005	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-25.6	-175.8	-55.4	-172.4	0	0	0	114.2	V27 I54 M70 D76 L77 I81 Y131 T134	V27-L74 HydrophobicContact CG1-CD2 4.49Å; V27-L74 HydrophobicContact CG2-CD2 4.03Å; I54-L74 HydrophobicContact CD1-CD2 4.18Å; M70-L74 HydrophobicContact CE-CD1 3.56Å; M70-L74 HydrophobicContact CG-CD1 4.47Å; M70-L74 WeakPolarHBondContact O-CA 3.44Å; M70-L74 VanDerWaalsContact O-CB 3.28Å; M70-L74 WeakPolarHBondContact O-CB 3.33Å; M70-L74 PolarHBondContact O-N 3.09Å; M70-L74 HydrophobicContact SD-CD1 3.26Å; M70-L74 WeakPolarHBondContact SD-CD1 3.41Å; M70-L74 HydrophobicContact SD-CG 4.27Å; L74-D76 VanDerWaalsContact C-N 3.34Å; L74-L77 HydrophobicContact CD2-CD1 3.67Å; L74-L77 WeakPolarHBondContact O-CB 3.33Å; L74-L77 PolarHBondContact O-N 3.22Å; L74-I81 HydrophobicContact CD1-CD1 3.89Å; L74-I81 HydrophobicContact CD2-CD1 3.86Å; L74-I81 HydrophobicContact CG-CD1 4.34Å; L74-Y131 HydrophobicContact CB-CD1 4.48Å; L74-Y131 HydrophobicContact CB-CE1 3.9Å; L74-T134 HydrophobicContact CD1-CG2 3.98Å
75	I	54.9	Low	66	Low	80 Å²	80	56.2 Å²	56.2	41%	0.41	28%	0.279	S	S	.	.	S	Bend	trans	-62.4	-45.5	172.2	-64.5	-176.9	0	0	0	110.4	M70 N71 L77 Q78 Y131	M70-I75 PolarHBondContact O-N 3.27Å; N71-I75 HydrophobicContact CB-CD1 3.87Å; N71-I75 WeakPolarHBondContact O-CB 3.36Å; N71-I75 WeakPolarHBondContact O-CG1 3.46Å; N71-I75 WeakPolarHBondContact OD1-CD1 3.45Å; I75-L77 PolarHBondContact O-N 2.85Å; I75-Q78 WeakPolarHBondContact O-CG 3.35Å; I75-Q78 PolarHBondContact O-N 3.35Å; I75-Y131 VanDerWaalsContact CD1-OH 3.22Å; I75-Y131 WeakPolarHBondContact CD1-OH 3.22Å; I75-Y131 HydrophobicContact CG1-CE1 4.43Å; I75-Y131 WeakPolarHBondContact CG1-OH 3.28Å
76	D	53	Low	68	Low	134 Å²	134	52.4 Å²	52.4	72%	0.717	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.6	-177.6	-74.6	-4.2	0	0	0	112.3	L74 Q78	L74-D76 VanDerWaalsContact C-N 3.34Å; D76-Q78 VanDerWaalsContact C-N 3.3Å; D76-Q78 PolarHBondContact O-N 2.9Å
77	L	58.6	Low	69.7	Low	43 Å²	43	52.7 Å²	52.7	23%	0.225	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-28	175.5	-62.5	172.5	0	0	0	112.2	I52 L74 I75 Q79	I52-L77 HydrophobicContact CD1-CD1 3.38Å; I52-L77 HydrophobicContact CD1-CD2 3.49Å; I52-L77 VanDerWaalsContact CD1-CD2 3.49Å; I52-L77 HydrophobicContact CD1-CG 4.07Å; L74-L77 HydrophobicContact CD2-CD1 3.67Å; L74-L77 WeakPolarHBondContact O-CB 3.33Å; L74-L77 PolarHBondContact O-N 3.22Å; I75-L77 PolarHBondContact O-N 2.85Å; L77-Q79 WeakPolarHBondContact O-CB 3.4Å; L77-Q79 WeakPolarHBondContact O-CG 3.44Å; L77-Q79 PolarHBondContact O-N 3.25Å
78	Q	56.5	Low	71.4	Confident	181 Å²	181	48.6 Å²	48.6	85%	0.846	24%	0.238	S	C	*	.			trans	43.9	23.4	-174.2	-67	-174.1	-12.2	0	0	114.1	I75 D76	I75-Q78 WeakPolarHBondContact O-CG 3.35Å; I75-Q78 PolarHBondContact O-N 3.35Å; D76-Q78 VanDerWaalsContact C-N 3.3Å; D76-Q78 PolarHBondContact O-N 2.9Å
79	Q	69.5	Low	72.8	Confident	91 Å²	91	46.6 Å²	46.6	43%	0.425	23%	0.228	S	C	.	.	S	Bend	trans	-134.3	141.8	-166.4	-77.6	170.9	31.5	0	0	109.9	K25 L77 I81	K25-Q79 HydrophobicContact CD-CB 4.13Å; K25-Q79 VanDerWaalsContact NZ-CD 3.28Å; L77-Q79 WeakPolarHBondContact O-CB 3.4Å; L77-Q79 WeakPolarHBondContact O-CG 3.44Å; L77-Q79 PolarHBondContact O-N 3.25Å; Q79-I81 PolarHBondContact O-N 2.94Å
80	I	79.5	Confident	73.6	Confident	90 Å²	90	50.7 Å²	50.7	46%	0.462	25%	0.246	S	C	.	.			trans	-65.8	131.8	176.6	-58.1	171.4	0	0	0	109.1	K25	K25-I80 WeakPolarHBondContact CD-O 3.23Å
81	I	86.4	Confident	74.1	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.015	25%	0.248	C	C	.	.			trans	-90	133.5	174.8	-67.7	155.5	0	0	0	108.6	V27 L74 Q79 M83 V84 P133 T134 S137 R196	V27-I81 HydrophobicContact CB-CG2 4.38Å; V27-I81 HydrophobicContact CG2-CD1 3.73Å; V27-I81 HydrophobicContact CG2-CG1 3.98Å; V27-I81 HydrophobicContact CG2-CG2 3.89Å; L74-I81 HydrophobicContact CD1-CD1 3.89Å; L74-I81 HydrophobicContact CD2-CD1 3.86Å; L74-I81 HydrophobicContact CG-CD1 4.34Å; Q79-I81 PolarHBondContact O-N 2.94Å; I81-M83 WeakPolarHBondContact CG2-O 3.36Å; I81-V84 HydrophobicContact CG2-CG2 3.77Å; I81-P133 HydrophobicContact CD1-CB 3.96Å; I81-P133 PolarHBondContact N-O 3.4Å; I81-T134 HydrophobicContact CB-CG2 4.09Å; I81-T134 HydrophobicContact CD1-CG2 3.4Å; I81-T134 HydrophobicContact CG1-CG2 4.34Å; I81-T134 HydrophobicContact CG2-CG2 4.34Å; I81-S137 WeakPolarHBondContact CB-OG 3.49Å; I81-S137 PolarHBondContact O-OG 3.25Å; I81-R196 PolarHBondContact O-NH2 3.17Å; I81-R196 VanDerWaalsContact O-NH2 3.11Å
82	D	89.5	Confident	74.3	Confident	12 Å²	12	53.1 Å²	53.1	6%	0.064	25%	0.253	C	S	.	.	S	Bend	trans	-85.5	-41.8	-179.3	-62	-59.2	0	0	0	111.3	L24 K25 V138 W189 R196	L24-D82 HydrophobicContact CD2-CB 4.27Å; K25-D82 PolarHBondContact N-OD2 2.77Å; K25-D82 PolarHBondContact O-N 3.47Å; D82-V138 PolarHBondContact O-N 3.17Å; D82-W189 PolarHBondContact OD1-NE1 3.31Å; D82-R196 IonicContact OD1-CZ 3.53Å; D82-R196 IonicContact OD1-NH1 3.51Å; D82-R196 PolarHBondContact OD1-NH1 3.35Å
83	M	92.6	Very high	74.1	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.039	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.8	-175.7	-176	-177.8	-74	0	0	111.4	K25 I26 V27 I81 V85 V138 V140 L181 F184	K25-M83 PolarHBondContact O-N 3.07Å; I26-M83 CarbonylContact C-O 3.58Å; I26-M83 WeakPolarHBondContact CA-O 3.43Å; I26-M83 HydrophobicContact CG1-CB 4.32Å; I26-M83 HydrophobicContact CG2-CB 4.33Å; I26-M83 HydrophobicContact CG2-CG 4.43Å; I26-M83 HydrophobicContact CG2-SD 4.35Å; V27-M83 PolarHBondContact N-O 3.33Å; I81-M83 WeakPolarHBondContact CG2-O 3.36Å; M83-V85 HydrophobicContact CG-CG2 4.12Å; M83-V85 HydrophobicContact SD-CG2 3.95Å; M83-V138 WeakPolarHBondContact CA-O 3.32Å; M83-V140 HydrophobicContact CE-CG2 4.11Å; M83-V140 HydrophobicContact CG-CG2 3.69Å; M83-V140 HydrophobicContact SD-CG2 3.87Å; M83-L181 HydrophobicContact CE-CD2 4.31Å; M83-L181 HydrophobicContact SD-CD2 4.02Å; M83-F184 HydrophobicContact CB-CE1 4.45Å; M83-F184 HydrophobicContact CB-CZ 4.47Å; M83-F184 HydrophobicContact CE-CB 3.9Å; M83-F184 HydrophobicContact CE-CD1 3.46Å; M83-F184 VanDerWaalsContact CE-CD1 3.46Å; M83-F184 HydrophobicContact CE-CD2 3.34Å; M83-F184 HydrophobicContact CE-CE1 3.73Å; M83-F184 HydrophobicContact CE-CE2 3.64Å; M83-F184 HydrophobicContact CE-CG 3.24Å; M83-F184 HydrophobicContact CE-CZ 3.82Å
84	V	91.2	Very high	73.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119	170.5	179.7	0	0	0	0	108.5	V27 I29 I81 L86 L128 T134 V138 I139 V140	V27-V84 HydrophobicContact CB-CG2 4.47Å; V27-V84 CarbonylContact O-C 3.54Å; V27-V84 WeakPolarHBondContact O-CA 3.43Å; I29-V84 HydrophobicContact CD1-CG1 3.8Å; I29-V84 HydrophobicContact CG1-CG1 4.25Å; I81-V84 HydrophobicContact CG2-CG2 3.77Å; V84-L86 HydrophobicContact CG1-CD2 4.3Å; V84-L128 HydrophobicContact CG1-CD1 4.06Å; V84-L128 HydrophobicContact CG1-CD2 4.32Å; V84-T134 HydrophobicContact CG2-CG2 3.74Å; V84-V138 PolarHBondContact N-O 2.95Å; V84-I139 CarbonylContact O-C 3.47Å; V84-I139 WeakPolarHBondContact O-CA 3.39Å; V84-V140 PolarHBondContact O-N 3.39Å
85	V	92.2	Very high	73.1	Confident	2 Å²	2	54 Å²	54	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.8	177.7	-172.8	0	0	0	0	109.7	I26 V27 L28 I29 F30 M40 M83 V140 L142 I168	I26-V85 HydrophobicContact CG2-CG2 4.31Å; V27-V85 PolarHBondContact O-N 3.46Å; L28-V85 HydrophobicContact CD2-CB 3.68Å; L28-V85 HydrophobicContact CD2-CG1 4.45Å; L28-V85 HydrophobicContact CD2-CG2 3.62Å; I29-V85 PolarHBondContact N-O 3.47Å; F30-V85 HydrophobicContact CE2-CG1 4.34Å; M40-V85 HydrophobicContact CE-CG1 4.06Å; M40-V85 HydrophobicContact SD-CG1 4.03Å; M40-V85 HydrophobicContact SD-CG2 4.39Å; M83-V85 HydrophobicContact CG-CG2 4.12Å; M83-V85 HydrophobicContact SD-CG2 3.95Å; V85-V140 CarbonylContact C-O 3.59Å; V85-V140 WeakPolarHBondContact CA-O 3.24Å; V85-V140 HydrophobicContact CG2-CB 4.23Å; V85-L142 HydrophobicContact CG1-CB 4.17Å; V85-I168 HydrophobicContact CG1-CD1 4.45Å
86	L	90.3	Very high	72.7	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.8	174.8	-63.1	-177.1	0	0	0	110.7	I29 V84 L88 L121 W124 L128 I139 V140 L142	I29-L86 HydrophobicContact CB-CD2 4.03Å; I29-L86 HydrophobicContact CD1-CD2 3.87Å; I29-L86 HydrophobicContact CG1-CD2 4.32Å; V84-L86 HydrophobicContact CG1-CD2 4.3Å; L86-L88 HydrophobicContact CB-CD2 4.1Å; L86-L88 HydrophobicContact CB-CG 4.15Å; L86-L88 PolarHBondContact O-N 3.46Å; L86-L121 HydrophobicContact CD1-CD1 3.96Å; L86-W124 HydrophobicContact CD1-CE3 4.46Å; L86-W124 HydrophobicContact CD2-CE3 3.69Å; L86-W124 HydrophobicContact CD2-CZ3 3.68Å; L86-L128 HydrophobicContact CD1-CD1 4.21Å; L86-L128 HydrophobicContact CD2-CD1 4.11Å; L86-L128 HydrophobicContact CG-CD1 4.48Å; L86-I139 HydrophobicContact CD1-CG2 3.82Å; L86-I139 HydrophobicContact CG-CG2 4.15Å; L86-V140 PolarHBondContact N-O 2.99Å; L86-L142 PolarHBondContact O-N 3.36Å
87	D	86.5	Confident	72.4	Confident	20 Å²	20	48.1 Å²	48.1	11%	0.107	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	98.4	170.3	-174.9	4.8	0	0	0	111.5	I29 F30 R89	I29-D87 PolarHBondContact O-N 3.2Å; I29-D87 VanDerWaalsContact O-N 3.1Å; F30-D87 HydrophobicContact CD1-CB 3.84Å; F30-D87 HydrophobicContact CD2-CB 4.37Å; F30-D87 HydrophobicContact CE1-CB 3.92Å; F30-D87 HydrophobicContact CE2-CB 4.4Å; F30-D87 HydrophobicContact CG-CB 4.05Å; F30-D87 HydrophobicContact CZ-CB 4.17Å; D87-R89 WeakPolarHBondContact OD1-CB 3.41Å; D87-R89 WeakPolarHBondContact OD1-CG 3.33Å; D87-R89 IonicContact OD1-CZ 3.89Å; D87-R89 PolarHBondContact OD1-N 3.29Å; D87-R89 VanDerWaalsContact OD1-N 3.16Å; D87-R89 IonicContact OD1-NE 3.85Å; D87-R89 PolarHBondContact OD1-NE 3.12Å; D87-R89 IonicContact OD1-NH2 3.96Å; D87-R89 IonicContact OD2-CZ 3.44Å; D87-R89 IonicContact OD2-NE 3.85Å; D87-R89 IonicContact OD2-NH2 2.85Å; D87-R89 PolarHBondContact OD2-NH2 2.83Å
88	L	87.2	Confident	71.6	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.255	C	S	.	.			trans	-105.3	15.9	178.3	-56.7	-173.7	0	0	0	112.5	L86 K90 L91 F97 L121 L142 L143 A159	L86-L88 HydrophobicContact CB-CD2 4.1Å; L86-L88 HydrophobicContact CB-CG 4.15Å; L86-L88 PolarHBondContact O-N 3.46Å; L88-K90 PolarHBondContact O-N 2.87Å; L88-L91 HydrophobicContact CB-CB 4.35Å; L88-L91 WeakPolarHBondContact O-CB 3.38Å; L88-L91 PolarHBondContact O-N 2.78Å; L88-F97 HydrophobicContact CD2-CD2 4.46Å; L88-F97 HydrophobicContact CD2-CE2 3.77Å; L88-F97 HydrophobicContact CD2-CZ 3.9Å; L88-L121 HydrophobicContact CD1-CD1 4.38Å; L88-L121 HydrophobicContact CD1-CD2 3.82Å; L88-L121 HydrophobicContact CD2-CD1 3.61Å; L88-L121 HydrophobicContact CD2-CD2 4Å; L88-L121 HydrophobicContact CD2-CG 4.45Å; L88-L142 CarbonylContact C-O 3.58Å; L88-L142 WeakPolarHBondContact CA-O 3.22Å; L88-L142 WeakPolarHBondContact CB-O 3.31Å; L88-L142 PolarHBondContact N-O 3.23Å; L88-L143 HydrophobicContact CB-CD2 3.86Å; L88-A159 HydrophobicContact CD1-CB 3.81Å
89	R	84.9	Confident	70.9	Confident	40 Å²	40	42.7 Å²	42.7	15%	0.151	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24	-175.7	-65.6	173.3	-67.5	163.8	-1.3	113.5	D34 Q36 D87 L91 L142 E170	D34-R89 IonicContact OD1-NH1 2.82Å; D34-R89 IonicContact OD1-NH2 2.67Å; D34-R89 IonicContact OD2-CZ 2.85Å; D34-R89 IonicContact OD2-NH1 2.77Å; D34-R89 PolarHBondContact OD2-NH1 2.87Å; D34-R89 IonicContact OD2-NH2 3.58Å; D34-R89 PolarHBondContact OD2-NH2 2.84Å; Q36-R89 VanDerWaalsContact CG-NH1 3.33Å; D87-R89 WeakPolarHBondContact OD1-CB 3.41Å; D87-R89 WeakPolarHBondContact OD1-CG 3.33Å; D87-R89 IonicContact OD1-CZ 3.89Å; D87-R89 PolarHBondContact OD1-N 3.29Å; D87-R89 VanDerWaalsContact OD1-N 3.16Å; D87-R89 IonicContact OD1-NE 3.85Å; D87-R89 PolarHBondContact OD1-NE 3.12Å; D87-R89 IonicContact OD1-NH2 3.96Å; D87-R89 IonicContact OD2-CZ 3.44Å; D87-R89 IonicContact OD2-NE 3.85Å; D87-R89 IonicContact OD2-NH2 2.85Å; D87-R89 PolarHBondContact OD2-NH2 2.83Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-L142 HydrophobicContact CG-CD2 4.33Å; R89-L142 HydrophobicContact CG-CG 4.02Å; R89-L142 PolarHBondContact N-O 3.36Å; R89-L142 VanDerWaalsContact N-O 3.1Å; R89-E170 VanDerWaalsContact CD-CG 3.49Å; R89-E170 WeakPolarHBondContact CD-OE1 3.44Å; R89-E170 HydrophobicContact CG-CG 4.13Å; R89-E170 IonicContact NH1-OE1 3.57Å
90	K	74.1	Confident	69.3	Low	104 Å²	104	39.6 Å²	39.6	45%	0.452	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.2	173.5	-65.6	-176.5	-177.8	173.2	0	113.7	L88 K92	L88-K90 PolarHBondContact O-N 2.87Å; K90-K92 PolarHBondContact O-N 3.23Å
91	L	69.3	Low	66.9	Low	13 Å²	13	39.3 Å²	39.3	7%	0.068	22%	0.219	C	C	.	.			trans	-63.9	114.7	175.5	-174.4	66.6	0	0	0	109.4	L88 R89 F97 L143 L155 K158	L88-L91 HydrophobicContact CB-CB 4.35Å; L88-L91 WeakPolarHBondContact O-CB 3.38Å; L88-L91 PolarHBondContact O-N 2.78Å; R89-L91 VanDerWaalsContact C-N 3.32Å; L91-F97 HydrophobicContact CB-CD2 4.19Å; L91-F97 HydrophobicContact CD1-CB 3.86Å; L91-F97 HydrophobicContact CD1-CD2 4.01Å; L91-F97 HydrophobicContact CD1-CG 4.3Å; L91-L143 HydrophobicContact CD2-CD2 4.23Å; L91-L155 HydrophobicContact CB-CD2 4.26Å; L91-L155 HydrophobicContact CD2-CD2 4.02Å; L91-L155 HydrophobicContact CG-CD2 3.94Å; L91-L155 VanDerWaalsContact O-CD2 3.29Å; L91-L155 WeakPolarHBondContact O-CD2 3.13Å; L91-K158 HydrophobicContact CD2-CB 4.48Å
92	K	62.9	Low	64.1	Low	115 Å²	115	44.5 Å²	44.5	50%	0.5	25%	0.246	S	C	.	.			trans	-86.6	154.3	-179.2	-57.2	-174.9	178.8	173.9	0	111.8	K90 N94 G95 S96	K90-K92 PolarHBondContact O-N 3.23Å; K92-N94 WeakPolarHBondContact CB-OD1 3.43Å; K92-N94 PolarHBondContact O-N 2.9Å; K92-G95 PolarHBondContact O-N 2.79Å; K92-S96 PolarHBondContact N-O 3.1Å; K92-S96 VanDerWaalsContact N-O 3.1Å
93	S	56	Low	61	Low	64 Å²	64	55.7 Å²	55.7	45%	0.448	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.9	179.2	56	0	0	0	0	113.3	G95 K158	S93-G95 PolarHBondContact O-N 2.75Å; S93-K158 PolarHBondContact O-NZ 2.96Å
94	N	51.5	Low	57.9	Low	118 Å²	118	60 Å²	60	63%	0.631	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	3.6	172.8	38.5	-3.3	0	0	0	113.9	K92 S96	K92-N94 WeakPolarHBondContact CB-OD1 3.43Å; K92-N94 PolarHBondContact O-N 2.9Å; N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.31Å
95	G	49.3	Very low	55.3	Low	10 Å²	10	66.1 Å²	66.1	10%	0.103	36%	0.361	C	S	.	.	S	Bend	trans	84.8	-4.9	172.4	0	0	0	0	0	114.7	K92 S93 F97 S118 K158	K92-G95 PolarHBondContact O-N 2.79Å; S93-G95 PolarHBondContact O-N 2.75Å; G95-F97 PolarHBondContact O-N 3.42Å; G95-S118 WeakPolarHBondContact O-CB 3.48Å; G95-K158 VanDerWaalsContact N-NZ 3.2Å
96	S	45.9	Very low	52.3	Low	54 Å²	54	74.3 Å²	74.3	38%	0.378	40%	0.399	S	S	.	.			trans	-70.4	121.2	169.8	49	0	0	0	0	110	K92 N94	K92-S96 PolarHBondContact N-O 3.1Å; K92-S96 VanDerWaalsContact N-O 3.1Å; N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.31Å
97	F	46.2	Very low	49.2	Very low	36 Å²	36	79.9 Å²	79.9	16%	0.158	44%	0.437	C	S	.	.			trans	-112.1	104	168	-178.1	-109.8	0	0	0	106.3	L88 L91 G95 I99	L88-F97 HydrophobicContact CD2-CD2 4.46Å; L88-F97 HydrophobicContact CD2-CE2 3.77Å; L88-F97 HydrophobicContact CD2-CZ 3.9Å; L91-F97 HydrophobicContact CB-CD2 4.19Å; L91-F97 HydrophobicContact CD1-CB 3.86Å; L91-F97 HydrophobicContact CD1-CD2 4.01Å; L91-F97 HydrophobicContact CD1-CG 4.3Å; G95-F97 PolarHBondContact O-N 3.42Å; F97-I99 HydrophobicContact CD1-CG1 4.18Å; F97-I99 HydrophobicContact CE1-CG1 3.94Å
98	S	42.3	Very low	46.2	Very low	67 Å²	67	90.4 Å²	90.4	47%	0.469	48%	0.475	S	S	.	.			trans	-87.6	109.5	173.5	56.1	0	0	0	0	108.5
99	I	41.1	Very low	43.2	Very low	43 Å²	43	98.9 Å²	98.9	22%	0.221	52%	0.515	C	S	.	.			trans	-57.7	143.8	164.1	-59.6	173.7	0	0	0	107.3	T63 F97 S101 S120	T63-I99 HydrophobicContact CG2-CG2 3.77Å; F97-I99 HydrophobicContact CD1-CG1 4.18Å; F97-I99 HydrophobicContact CE1-CG1 3.94Å; I99-S101 VanDerWaalsContact C-N 3.31Å; I99-S101 PolarHBondContact O-N 2.82Å; I99-S120 WeakPolarHBondContact CD1-OG 3.36Å
100	P	36.7	Very low	40.2	Very low	25 Å²	25	103.9 Å²	103.9	16%	0.162	54%	0.543	C	S	.	.			trans	-63.7	93.4	173.8	-4.4	17.2	0	0	0	109.5	M57	M57-P100 HydrophobicContact CE-CB 3.36Å; M57-P100 HydrophobicContact CG-CB 4.06Å; M57-P100 HydrophobicContact SD-CB 3.81Å
101	S	29.8	Very low	37.7	Very low	84 Å²	84	106.3 Å²	106.3	59%	0.587	56%	0.559	S	S	*	*			trans	-84.7	121.7	172.8	53.3	0	0	0	0	109	I99	I99-S101 VanDerWaalsContact C-N 3.31Å; I99-S101 PolarHBondContact O-N 2.82Å
102	I	26.3	Very low	35.5	Very low	112 Å²	112	111 Å²	111	57%	0.574	58%	0.583	S	S	*	*			trans	-61.7	137.4	161	-67.5	173	0	0	0	108	M57 S104	M57-I102 HydrophobicContact SD-CD1 4.34Å; M57-I102 HydrophobicContact SD-CG1 3.8Å; I102-S104 PolarHBondContact O-N 3.04Å; I102-S104 VanDerWaalsContact O-N 3.11Å
103	R	24.9	Very low	33.6	Very low	248 Å²	248	110 Å²	110	94%	0.936	59%	0.591	S	S	*	*			trans	-42.8	110.3	-177.8	-65.4	176.6	178	-176.2	-1.2	112.1
104	S	27.9	Very low	32.2	Very low	99 Å²	99	114.1 Å²	114.1	69%	0.692	61%	0.608	S	S	*	*			trans	-125.9	128.5	143.3	64.4	0	0	0	0	107.2	I102 Q106	I102-S104 PolarHBondContact O-N 3.04Å; I102-S104 VanDerWaalsContact O-N 3.11Å; S104-Q106 PolarHBondContact O-N 2.85Å
105	S	35.5	Very low	31.4	Very low	127 Å²	127	116.2 Å²	116.2	89%	0.888	62%	0.619	S	S	*	*	S	Bend	trans	-74	23.5	-158	34.1	0	0	0	0	115.6
106	Q	29.2	Very low	30.6	Very low	174 Å²	174	120.9 Å²	120.9	81%	0.813	64%	0.642	S	S	*	*			trans	-147.3	86.5	179.1	-68.9	-176.1	-3.2	0	0	111.6	S104	S104-Q106 PolarHBondContact O-N 2.85Å
107	C	25.7	Very low	30.4	Very low	122 Å²	122	122.1 Å²	122.1	82%	0.824	64%	0.643	S	S	*	*			trans	-142.5	104.7	159.8	-91.9	0	0	0	0	109
108	R	23.1	Very low	30.6	Very low	241 Å²	241	121.2 Å²	121.2	91%	0.909	64%	0.641	S	S	*	*			trans	-60.5	133	172.8	-71.8	176.4	172.7	160.4	-2.7	109.2	I110	R108-I110 PolarHBondContact O-N 3.07Å; R108-I110 VanDerWaalsContact O-N 3.12Å
109	E	23.6	Very low	31.1	Very low	180 Å²	180	122.3 Å²	122.3	84%	0.841	65%	0.647	S	S	*	*			trans	-56	113	170.7	-72	-179.4	143	0	0	109.5	I111	E109-I111 PolarHBondContact O-N 2.88Å
110	I	22	Very low	32.4	Very low	146 Å²	146	122 Å²	122	75%	0.749	65%	0.648	S	S	*	*			trans	-79.5	103.6	167.7	-52.6	-179.5	0	0	0	106.9	R108 I112	R108-I110 PolarHBondContact O-N 3.07Å; R108-I110 VanDerWaalsContact O-N 3.12Å; I110-I112 HydrophobicContact CG2-CD1 3.87Å; I110-I112 HydrophobicContact CG2-CG1 3.59Å; I110-I112 PolarHBondContact O-N 3.1Å
111	I	21.4	Very low	34.3	Very low	155 Å²	155	120.9 Å²	120.9	80%	0.795	64%	0.641	S	S	*	*			trans	-73.1	105.6	171.3	-59.8	171	0	0	0	107.2	E109	E109-I111 PolarHBondContact O-N 2.88Å
112	I	23.6	Very low	36.6	Very low	111 Å²	111	118 Å²	118	57%	0.569	62%	0.621	S	S	*	*			trans	-114.8	116.9	171.3	-54.4	-174.6	0	0	0	108.7	I110 N116	I110-I112 HydrophobicContact CG2-CD1 3.87Å; I110-I112 HydrophobicContact CG2-CG1 3.59Å; I110-I112 PolarHBondContact O-N 3.1Å; I112-N116 HydrophobicContact CG2-CB 4.4Å; I112-N116 WeakPolarHBondContact CG2-ND2 3.46Å
113	S	23.9	Very low	39	Very low	94 Å²	94	116.6 Å²	116.6	66%	0.657	62%	0.615	S	S	*	*			trans	-62.6	147.1	176.9	47	0	0	0	0	113.7
114	N	27	Very low	41.4	Very low	151 Å²	151	106.8 Å²	106.8	81%	0.807	58%	0.578	S	S	*	*	S	Bend	trans	25.2	121.3	160.5	-72.3	-11.6	0	0	0	119.4	N116	N114-N116 PolarHBondContact O-N 2.93Å
115	N	34.9	Very low	44.1	Very low	162 Å²	162	102.2 Å²	102.2	87%	0.866	55%	0.545	S	S	*	.	S	Bend	trans	73.1	1.3	164.7	-68.3	-18.3	0	0	0	120	I117	N115-I117 PolarHBondContact O-N 2.78Å
116	N	32.6	Very low	46.3	Very low	108 Å²	108	102.6 Å²	102.6	58%	0.578	53%	0.531	S	S	*	.			trans	-77.7	124.7	175.8	-72.7	-26.9	0	0	0	112.8	I112 N114	I112-N116 HydrophobicContact CG2-CB 4.4Å; I112-N116 WeakPolarHBondContact CG2-ND2 3.46Å; N114-N116 PolarHBondContact O-N 2.93Å
117	I	39.9	Very low	48.6	Very low	79 Å²	79	97.6 Å²	97.6	41%	0.405	51%	0.508	S	S	.	.			trans	-53.4	139.9	165.6	-64.9	165.8	0	0	0	107.8	N115 P119 K161	N115-I117 PolarHBondContact O-N 2.78Å; I117-P119 WeakPolarHBondContact O-CD 3.37Å; I117-P119 VanDerWaalsContact O-N 3.11Å; I117-K161 HydrophobicContact CD1-CB 4.42Å
118	S	50.4	Low	51.3	Low	18 Å²	18	91.9 Å²	91.9	13%	0.126	47%	0.469	C	S	.	.			trans	-63	115.4	172.5	-175.3	0	0	0	0	108.7	G95 S120 L121 S122	G95-S118 WeakPolarHBondContact O-CB 3.48Å; S118-S120 PolarHBondContact O-N 3Å; S118-S120 VanDerWaalsContact O-N 3.12Å; S118-L121 PolarHBondContact O-N 2.99Å; S118-S122 PolarHBondContact O-N 3.19Å
119	P	54.5	Low	54.2	Low	90 Å²	90	82.3 Å²	82.3	58%	0.584	43%	0.433	S	S	*	.	H	α-helix	trans	-57.4	-31.2	179	-22.8	33.9	0	0	0	111.4	I117 N123	I117-P119 WeakPolarHBondContact O-CD 3.37Å; I117-P119 VanDerWaalsContact O-N 3.11Å; P119-N123 VanDerWaalsContact O-CB 3.24Å; P119-N123 WeakPolarHBondContact O-CB 3.38Å; P119-N123 PolarHBondContact O-N 3.39Å; P119-N123 PolarHBondContact O-ND2 3.42Å; P119-N123 PolarHBondContact O-OD1 2.94Å
120	S	66.7	Low	56.8	Low	35 Å²	35	78.1 Å²	78.1	25%	0.245	42%	0.423	C	S	.	.	H	α-helix	trans	-62.3	-50	-179.7	-177.1	0	0	0	0	113.2	I99 S118 N123 W124	I99-S120 WeakPolarHBondContact CD1-OG 3.36Å; S118-S120 PolarHBondContact O-N 3Å; S118-S120 VanDerWaalsContact O-N 3.12Å; S120-N123 PolarHBondContact O-N 2.92Å; S120-W124 PolarHBondContact O-N 3.04Å
121	L	77.7	Confident	59.3	Low	2 Å²	2	72.3 Å²	72.3	1%	0.01	39%	0.392	C	S	.	.	H	α-helix	trans	-69.7	-40.2	-179.2	-178.2	59.3	0	0	0	112.1	L86 L88 S118 N123 W124 C125	L86-L121 HydrophobicContact CD1-CD1 3.96Å; L88-L121 HydrophobicContact CD1-CD1 4.38Å; L88-L121 HydrophobicContact CD1-CD2 3.82Å; L88-L121 HydrophobicContact CD2-CD1 3.61Å; L88-L121 HydrophobicContact CD2-CD2 4Å; L88-L121 HydrophobicContact CD2-CG 4.45Å; S118-L121 PolarHBondContact O-N 2.99Å; L121-N123 VanDerWaalsContact C-N 3.31Å; L121-N123 PolarHBondContact O-N 3.35Å; L121-W124 WeakPolarHBondContact O-CB 3.39Å; L121-W124 PolarHBondContact O-N 3.47Å; L121-C125 PolarHBondContact O-N 3.49Å; L121-C125 PolarHBondContact O-SG 3.38Å
122	S	77.5	Confident	61.9	Low	25 Å²	25	69.7 Å²	69.7	18%	0.175	39%	0.385	C	S	.	.	H	α-helix	trans	-60.9	-42.6	175.5	-174.9	0	0	0	0	111.3	S118 C125 K126	S118-S122 PolarHBondContact O-N 3.19Å; S122-C125 PolarHBondContact O-N 3.19Å; S122-K126 VanDerWaalsContact O-CG 3.31Å; S122-K126 WeakPolarHBondContact O-CG 3.3Å; S122-K126 PolarHBondContact O-N 2.93Å
123	N	76.6	Confident	64.5	Low	82 Å²	82	65.3 Å²	65.3	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-40.9	175.2	-72.3	-10.1	0	0	0	112	P119 S120 L121 K126 Q127	P119-N123 VanDerWaalsContact O-CB 3.24Å; P119-N123 WeakPolarHBondContact O-CB 3.38Å; P119-N123 PolarHBondContact O-N 3.39Å; P119-N123 PolarHBondContact O-ND2 3.42Å; P119-N123 PolarHBondContact O-OD1 2.94Å; S120-N123 PolarHBondContact O-N 2.92Å; L121-N123 VanDerWaalsContact C-N 3.31Å; L121-N123 PolarHBondContact O-N 3.35Å; N123-K126 PolarHBondContact O-N 2.89Å; N123-Q127 WeakPolarHBondContact O-CB 3.38Å; N123-Q127 WeakPolarHBondContact O-CG 3.22Å; N123-Q127 PolarHBondContact O-N 3.1Å
124	W	76	Confident	67.3	Low	42 Å²	42	60.8 Å²	60.8	16%	0.159	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-51.4	173.4	-99.4	61.3	0	0	0	112.3	I29 I66 L86 S120 L121 K126 Q127 L128	I29-W124 HydrophobicContact CB-CZ3 4.3Å; I29-W124 HydrophobicContact CD1-CZ3 3.94Å; I29-W124 HydrophobicContact CG2-CH2 3.63Å; I29-W124 HydrophobicContact CG2-CZ3 3.62Å; I66-W124 HydrophobicContact CD1-CB 4.31Å; I66-W124 VanDerWaalsContact CD1-CD1 3.45Å; I66-W124 HydrophobicContact CD1-CD2 3.36Å; I66-W124 HydrophobicContact CD1-CE3 4.01Å; I66-W124 HydrophobicContact CD1-CG 3.49Å; I66-W124 VanDerWaalsContact CD1-CG 3.49Å; I66-W124 HydrophobicContact CD1-CH2 4.36Å; I66-W124 HydrophobicContact CD1-CZ2 3.77Å; I66-W124 HydrophobicContact CD1-CZ3 4.47Å; I66-W124 VanDerWaalsContact CD1-NE1 3.29Å; I66-W124 HydrophobicContact CG1-CD2 4.34Å; I66-W124 HydrophobicContact CG1-CH2 4.4Å; I66-W124 HydrophobicContact CG1-CZ2 3.84Å; L86-W124 HydrophobicContact CD1-CE3 4.46Å; L86-W124 HydrophobicContact CD2-CE3 3.69Å; L86-W124 HydrophobicContact CD2-CZ3 3.68Å; S120-W124 PolarHBondContact O-N 3.04Å; L121-W124 WeakPolarHBondContact O-CB 3.39Å; L121-W124 PolarHBondContact O-N 3.47Å; W124-K126 VanDerWaalsContact C-N 3.27Å; W124-K126 PolarHBondContact O-N 3.18Å; W124-Q127 PolarHBondContact O-N 3.26Å; W124-L128 WeakPolarHBondContact O-CG 3.44Å; W124-L128 PolarHBondContact O-N 2.91Å
125	C	85	Confident	69.9	Low	2 Å²	2	59 Å²	59	1%	0.014	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-34.7	178.6	-67.9	0	0	0	0	112.3	L121 S122 R129 I139 S162	L121-C125 PolarHBondContact O-N 3.49Å; L121-C125 PolarHBondContact O-SG 3.38Å; S122-C125 PolarHBondContact O-N 3.19Å; C125-R129 WeakPolarHBondContact O-CG 3.47Å; C125-R129 PolarHBondContact O-N 2.94Å; C125-I139 HydrophobicContact CB-CD1 4.39Å; C125-S162 WeakPolarHBondContact CB-O 3.4Å; C125-S162 PolarHBondContact SG-O 2.87Å
126	K	81.7	Confident	72.2	Confident	136 Å²	136	53.9 Å²	53.9	59%	0.591	29%	0.29	S	S	*	.	H	α-helix	trans	-67.4	-44.7	173.9	-73.3	175.7	-177.6	-176.6	0	111.7	S122 N123 W124 R129 S130	S122-K126 VanDerWaalsContact O-CG 3.31Å; S122-K126 WeakPolarHBondContact O-CG 3.3Å; S122-K126 PolarHBondContact O-N 2.93Å; N123-K126 PolarHBondContact O-N 2.89Å; W124-K126 VanDerWaalsContact C-N 3.27Å; W124-K126 PolarHBondContact O-N 3.18Å; K126-R129 CarbonylContact O-C 3.55Å; K126-R129 PolarHBondContact O-N 3.37Å; K126-R129 VanDerWaalsContact O-N 3.09Å; K126-S130 PolarHBondContact O-N 3.19Å
127	Q	75.9	Confident	74.7	Confident	69 Å²	69	48.9 Å²	48.9	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-41.5	178.9	-76.6	177.5	-11.6	0	0	112.5	I66 N123 W124 R129 S130 Y131	I66-Q127 HydrophobicContact CD1-CB 4.38Å; I66-Q127 HydrophobicContact CG2-CB 4.3Å; N123-Q127 WeakPolarHBondContact O-CB 3.38Å; N123-Q127 WeakPolarHBondContact O-CG 3.22Å; N123-Q127 PolarHBondContact O-N 3.1Å; W124-Q127 PolarHBondContact O-N 3.26Å; Q127-R129 PolarHBondContact O-N 2.8Å; Q127-S130 WeakPolarHBondContact CA-OG 3.01Å; Q127-S130 PolarHBondContact O-N 3.41Å; Q127-S130 PolarHBondContact O-OG 3.03Å; Q127-Y131 PolarHBondContact O-N 3.02Å
128	L	83.5	Confident	77.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-57.6	-36.8	171.2	-72.2	171.2	0	0	0	111.3	I29 M70 V84 L86 W124 Y131 T134 I139	I29-L128 HydrophobicContact CD1-CD2 4.18Å; M70-L128 HydrophobicContact CE-CD2 3.58Å; M70-L128 HydrophobicContact SD-CD2 3.85Å; V84-L128 HydrophobicContact CG1-CD1 4.06Å; V84-L128 HydrophobicContact CG1-CD2 4.32Å; L86-L128 HydrophobicContact CD1-CD1 4.21Å; L86-L128 HydrophobicContact CD2-CD1 4.11Å; L86-L128 HydrophobicContact CG-CD1 4.48Å; W124-L128 WeakPolarHBondContact O-CG 3.44Å; W124-L128 PolarHBondContact O-N 2.91Å; L128-Y131 PolarHBondContact O-N 3.42Å; L128-T134 CarbonylContact O-C 3.48Å; L128-T134 WeakPolarHBondContact O-CB 3.28Å; L128-T134 PolarHBondContact O-OG1 3.16Å; L128-I139 HydrophobicContact CB-CD1 3.96Å; L128-I139 HydrophobicContact CD1-CD1 3.98Å; L128-I139 HydrophobicContact CD1-CG1 4.44Å; L128-I139 HydrophobicContact CD1-CG2 4.42Å
129	R	84.4	Confident	79	Confident	41 Å²	41	44.8 Å²	44.8	16%	0.155	24%	0.242	C	C	.	.	H	α-helix	trans	-80	-23.2	-179.7	-70	177.3	-169.5	-68.3	0	114.1	C125 K126 Q127 Y131 I139 G163 N165 K310	C125-R129 WeakPolarHBondContact O-CG 3.47Å; C125-R129 PolarHBondContact O-N 2.94Å; K126-R129 CarbonylContact O-C 3.55Å; K126-R129 PolarHBondContact O-N 3.37Å; K126-R129 VanDerWaalsContact O-N 3.09Å; Q127-R129 PolarHBondContact O-N 2.8Å; R129-Y131 PolarHBondContact O-N 2.87Å; R129-I139 HydrophobicContact CG-CD1 4.16Å; R129-G163 PolarHBondContact NH2-O 3.45Å; R129-N165 PolarHBondContact NH2-OD1 3.01Å; R129-K310 VanDerWaalsContact CZ-CE 3.42Å
130	S	77.8	Confident	80.8	Confident	91 Å²	91	40.6 Å²	40.6	64%	0.636	21%	0.214	S	C	*	.	H	α-helix	trans	-74.5	-14.5	172.3	56.3	0	0	0	0	112.6	K126 Q127	K126-S130 PolarHBondContact O-N 3.19Å; Q127-S130 WeakPolarHBondContact CA-OG 3.01Å; Q127-S130 PolarHBondContact O-N 3.41Å; Q127-S130 PolarHBondContact O-OG 3.03Å
131	Y	74.7	Confident	82	Confident	24 Å²	24	38.9 Å²	38.9	9%	0.094	20%	0.202	C	C	.	.	S	Bend	trans	-90.9	125.7	-176.1	-151.1	-112.5	0	0	0	112.6	M70 N71 L74 I75 Q127 L128 R129 P133 T134 K135	M70-Y131 HydrophobicContact CB-CD1 4.09Å; M70-Y131 HydrophobicContact CB-CD2 4.17Å; M70-Y131 HydrophobicContact CB-CE1 3.82Å; M70-Y131 HydrophobicContact CB-CE2 3.9Å; M70-Y131 HydrophobicContact CB-CG 4.24Å; M70-Y131 HydrophobicContact CE-CD1 3.56Å; M70-Y131 HydrophobicContact CE-CE1 4.42Å; M70-Y131 HydrophobicContact CE-CG 3.62Å; M70-Y131 PolarHBondContact O-OH 2.82Å; M70-Y131 VanDerWaalsContact O-OH 3.05Å; N71-Y131 WeakPolarHBondContact CA-OH 3.29Å; N71-Y131 PolarHBondContact N-OH 3.11Å; N71-Y131 WeakPolarHBondContact OD1-CE2 3.4Å; N71-Y131 PolarHBondContact OD1-OH 2.56Å; L74-Y131 HydrophobicContact CB-CD1 4.48Å; L74-Y131 HydrophobicContact CB-CE1 3.9Å; I75-Y131 VanDerWaalsContact CD1-OH 3.22Å; I75-Y131 WeakPolarHBondContact CD1-OH 3.22Å; I75-Y131 HydrophobicContact CG1-CE1 4.43Å; I75-Y131 WeakPolarHBondContact CG1-OH 3.28Å; Q127-Y131 PolarHBondContact O-N 3.02Å; L128-Y131 PolarHBondContact O-N 3.42Å; R129-Y131 PolarHBondContact O-N 2.87Å; Y131-P133 HydrophobicContact CD1-CB 4.23Å; Y131-P133 VanDerWaalsContact CD1-CD 3.41Å; Y131-P133 HydrophobicContact CD1-CG 3.82Å; Y131-P133 HydrophobicContact CE1-CG 3.76Å; Y131-T134 WeakPolarHBondContact CB-OG1 3.34Å; Y131-T134 CarbonylContact O-C 3.57Å; Y131-T134 PolarHBondContact O-N 2.9Å; Y131-T134 PolarHBondContact O-OG1 2.97Å; Y131-K135 WeakPolarHBondContact O-CA 3.03Å; Y131-K135 PolarHBondContact O-N 3.01Å
132	P	76.2	Confident	82.7	Confident	101 Å²	101	38.8 Å²	38.8	66%	0.656	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-57.3	-45	-171	-20.9	29	0	0	0	115.2	T134 K135	P132-T134 PolarHBondContact O-N 2.92Å; P132-K135 PolarHBondContact O-N 2.65Å
133	P	78.4	Confident	83.3	Confident	18 Å²	18	37.7 Å²	37.7	12%	0.117	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-56.1	-32.9	173.6	-28.9	35.1	0	0	0	115	I81 Y131	I81-P133 HydrophobicContact CD1-CB 3.96Å; I81-P133 PolarHBondContact N-O 3.4Å; Y131-P133 HydrophobicContact CD1-CB 4.23Å; Y131-P133 VanDerWaalsContact CD1-CD 3.41Å; Y131-P133 HydrophobicContact CD1-CG 3.82Å; Y131-P133 HydrophobicContact CE1-CG 3.76Å
134	T	83.1	Confident	83.6	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-110.5	0.4	-174.6	49.6	0	0	0	0	114.9	M70 L74 I81 V84 L128 Y131 P132 D136 S137	M70-T134 HydrophobicContact CE-CG2 4.1Å; M70-T134 VanDerWaalsContact CE-OG1 3.27Å; M70-T134 WeakPolarHBondContact CE-OG1 3.45Å; L74-T134 HydrophobicContact CD1-CG2 3.98Å; I81-T134 HydrophobicContact CB-CG2 4.09Å; I81-T134 HydrophobicContact CD1-CG2 3.4Å; I81-T134 HydrophobicContact CG1-CG2 4.34Å; I81-T134 HydrophobicContact CG2-CG2 4.34Å; V84-T134 HydrophobicContact CG2-CG2 3.74Å; L128-T134 CarbonylContact O-C 3.48Å; L128-T134 WeakPolarHBondContact O-CB 3.28Å; L128-T134 PolarHBondContact O-OG1 3.16Å; Y131-T134 WeakPolarHBondContact CB-OG1 3.34Å; Y131-T134 CarbonylContact O-C 3.57Å; Y131-T134 PolarHBondContact O-N 2.9Å; Y131-T134 PolarHBondContact O-OG1 2.97Å; P132-T134 PolarHBondContact O-N 2.92Å; T134-D136 PolarHBondContact O-N 3.36Å; T134-S137 VanDerWaalsContact CA-OG 3.23Å; T134-S137 WeakPolarHBondContact CA-OG 3.45Å; T134-S137 WeakPolarHBondContact O-CB 3.35Å; T134-S137 PolarHBondContact O-N 2.92Å; T134-S137 PolarHBondContact O-OG 2.81Å
135	K	81.2	Confident	84	Confident	114 Å²	114	38.5 Å²	38.5	50%	0.496	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-46.2	-176	-179.3	180	176.8	-178.3	0	112.2	Y131 P132	Y131-K135 WeakPolarHBondContact O-CA 3.03Å; Y131-K135 PolarHBondContact O-N 3.01Å; P132-K135 PolarHBondContact O-N 2.65Å
136	D	81.8	Confident	83.6	Confident	54 Å²	54	47.5 Å²	47.5	29%	0.289	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	16.3	-177.2	-56.2	-35.3	0	0	0	112.5	T134 R196	T134-D136 PolarHBondContact O-N 3.36Å; D136-R196 PolarHBondContact O-NH2 3.43Å
137	S	86	Confident	83.2	Confident	2 Å²	2	42 Å²	42	1%	0.014	21%	0.212	C	C	.	.			trans	-73.7	150.2	176.9	-59.9	0	0	0	0	111.8	I81 T134 I139	I81-S137 WeakPolarHBondContact CB-OG 3.49Å; I81-S137 PolarHBondContact O-OG 3.25Å; T134-S137 VanDerWaalsContact CA-OG 3.23Å; T134-S137 WeakPolarHBondContact CA-OG 3.45Å; T134-S137 WeakPolarHBondContact O-CB 3.35Å; T134-S137 PolarHBondContact O-N 2.92Å; T134-S137 PolarHBondContact O-OG 2.81Å; S137-I139 PolarHBondContact O-N 2.7Å
138	V	89.9	Confident	83	Confident	12 Å²	12	41.4 Å²	41.4	7%	0.073	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	111.6	167.1	178.7	0	0	0	0	108.6	D82 M83 V84 V140 N165 K166 F184 L192	D82-V138 PolarHBondContact O-N 3.17Å; M83-V138 WeakPolarHBondContact CA-O 3.32Å; V84-V138 PolarHBondContact N-O 2.95Å; V138-V140 HydrophobicContact CG1-CG2 4.12Å; V138-N165 HydrophobicContact CG1-CB 3.73Å; V138-K166 HydrophobicContact CG1-CD 4.21Å; V138-K166 HydrophobicContact CG1-CG 4.23Å; V138-F184 HydrophobicContact CB-CE2 3.79Å; V138-F184 HydrophobicContact CB-CZ 3.98Å; V138-F184 HydrophobicContact CG1-CE2 3.85Å; V138-F184 HydrophobicContact CG2-CE2 3.71Å; V138-F184 HydrophobicContact CG2-CZ 3.85Å; V138-L192 HydrophobicContact CG2-CD1 4.36Å; V138-L192 HydrophobicContact CG2-CD2 3.97Å
139	I	91	Very high	82.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.5	178	-56.4	178	0	0	0	108.7	V84 L86 C125 L128 R129 S137 C164 N165 K166	V84-I139 CarbonylContact O-C 3.47Å; V84-I139 WeakPolarHBondContact O-CA 3.39Å; L86-I139 HydrophobicContact CD1-CG2 3.82Å; L86-I139 HydrophobicContact CG-CG2 4.15Å; C125-I139 HydrophobicContact CB-CD1 4.39Å; L128-I139 HydrophobicContact CB-CD1 3.96Å; L128-I139 HydrophobicContact CD1-CD1 3.98Å; L128-I139 HydrophobicContact CD1-CG1 4.44Å; L128-I139 HydrophobicContact CD1-CG2 4.42Å; R129-I139 HydrophobicContact CG-CD1 4.16Å; S137-I139 PolarHBondContact O-N 2.7Å; I139-C164 CarbonylContact O-C 3.55Å; I139-N165 PolarHBondContact N-OD1 3.45Å; I139-N165 PolarHBondContact O-N 3.38Å; I139-K166 PolarHBondContact O-N 3.1Å
140	V	92.7	Very high	81.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.4	-176.8	-176.9	0	0	0	0	109.8	M83 V84 V85 L86 V138 K166 I168	M83-V140 HydrophobicContact CE-CG2 4.11Å; M83-V140 HydrophobicContact CG-CG2 3.69Å; M83-V140 HydrophobicContact SD-CG2 3.87Å; V84-V140 PolarHBondContact O-N 3.39Å; V85-V140 CarbonylContact C-O 3.59Å; V85-V140 WeakPolarHBondContact CA-O 3.24Å; V85-V140 HydrophobicContact CG2-CB 4.23Å; L86-V140 PolarHBondContact N-O 2.99Å; V138-V140 HydrophobicContact CG1-CG2 4.12Å; V140-K166 WeakPolarHBondContact CA-O 3.32Å; V140-K166 HydrophobicContact CB-CG 4.29Å; V140-K166 HydrophobicContact CG1-CG 4.13Å; V140-K166 HydrophobicContact CG2-CD 4.03Å; V140-K166 HydrophobicContact CG2-CG 3.68Å; V140-I168 HydrophobicContact CG1-CB 4.3Å; V140-I168 HydrophobicContact CG1-CD1 3.8Å; V140-I168 HydrophobicContact CG1-CG1 3.7Å; V140-I168 HydrophobicContact CG1-CG2 3.83Å
141	G	90.9	Very high	81.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.3	171.5	0	0	0	0	0	111.9	K166 C167 I168	G141-K166 PolarHBondContact N-O 3.36Å; G141-C167 VanDerWaalsContact O-CA 3.3Å; G141-C167 WeakPolarHBondContact O-CA 3.44Å; G141-I168 PolarHBondContact O-N 3.46Å
142	L	92.4	Very high	81.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.5	170.6	177	65.7	0	0	0	110.2	F30 Q36 M40 V85 L86 L88 R89 I168 F177	F30-L142 HydrophobicContact CE1-CD2 3.75Å; F30-L142 HydrophobicContact CZ-CD2 3.52Å; Q36-L142 HydrophobicContact CB-CD2 4.2Å; M40-L142 HydrophobicContact CE-CD2 4.4Å; V85-L142 HydrophobicContact CG1-CB 4.17Å; L86-L142 PolarHBondContact O-N 3.36Å; L88-L142 CarbonylContact C-O 3.58Å; L88-L142 WeakPolarHBondContact CA-O 3.22Å; L88-L142 WeakPolarHBondContact CB-O 3.31Å; L88-L142 PolarHBondContact N-O 3.23Å; R89-L142 HydrophobicContact CG-CD2 4.33Å; R89-L142 HydrophobicContact CG-CG 4.02Å; R89-L142 PolarHBondContact N-O 3.36Å; R89-L142 VanDerWaalsContact N-O 3.1Å; L142-I168 CarbonylContact C-O 3.57Å; L142-I168 WeakPolarHBondContact CA-O 3.41Å; L142-I168 HydrophobicContact CB-CG1 4.29Å; L142-I168 HydrophobicContact CD1-CD1 4.17Å; L142-I168 HydrophobicContact CD1-CG1 3.79Å; L142-F177 HydrophobicContact CD1-CE1 4.32Å; L142-F177 HydrophobicContact CD1-CZ 4.06Å
143	L	90	Very high	81.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	152.3	-177.4	-61.2	175.9	0	0	0	112	L88 L91 R145 L155 M156 C167 I168 F169 E170	L88-L143 HydrophobicContact CB-CD2 3.86Å; L91-L143 HydrophobicContact CD2-CD2 4.23Å; L143-R145 PolarHBondContact O-N 3.37Å; L143-L155 HydrophobicContact CD1-CB 4.02Å; L143-L155 HydrophobicContact CD2-CB 4.2Å; L143-M156 HydrophobicContact CD1-CB 4.47Å; L143-M156 HydrophobicContact CD1-CG 3.73Å; L143-C167 HydrophobicContact CD1-CB 3.83Å; L143-C167 HydrophobicContact CG-CB 4.44Å; L143-I168 PolarHBondContact N-O 2.94Å; L143-F169 HydrophobicContact CB-CD1 3.74Å; L143-F169 HydrophobicContact CB-CE1 3.72Å; L143-F169 HydrophobicContact CD1-CE1 4.02Å; L143-F169 HydrophobicContact CD1-CZ 4.08Å; L143-F169 CarbonylContact O-C 3.51Å; L143-F169 WeakPolarHBondContact O-CA 3.11Å; L143-E170 PolarHBondContact O-N 2.74Å
144	S	83.3	Confident	81.3	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.182	27%	0.27	C	S	.	.			trans	-63.7	133.4	177.2	173	0	0	0	0	111	K146 C147 F169	S144-K146 VanDerWaalsContact C-N 3.27Å; S144-K146 PolarHBondContact OG-N 3.22Å; S144-C147 PolarHBondContact O-SG 2.66Å; S144-F169 WeakPolarHBondContact O-CD1 3.31Å
145	R	83.3	Confident	81.2	Confident	115 Å²	115	56.5 Å²	56.5	43%	0.434	27%	0.273	S	S	.	.	S	Bend	trans	-74.3	-22.8	173.3	-178.7	176.3	-174.8	144.7	-5.5	111.9	L143 C147 E170 S172	L143-R145 PolarHBondContact O-N 3.37Å; R145-C147 PolarHBondContact O-N 2.96Å; R145-E170 HydrophobicContact CB-CB 3.82Å; R145-E170 WeakPolarHBondContact CD-O 3.13Å; R145-E170 PolarHBondContact N-OE2 3.43Å; R145-E170 PolarHBondContact NH1-O 2.67Å; R145-S172 PolarHBondContact NH1-OG 2.84Å
146	K	78.7	Confident	81.2	Confident	191 Å²	191	52.7 Å²	52.7	83%	0.83	26%	0.257	S	S	*	.	S	Bend	trans	-79.4	58.4	-179.5	-61.4	-176.7	-179.1	179.7	0	111.8	S144	S144-K146 VanDerWaalsContact C-N 3.27Å; S144-K146 PolarHBondContact OG-N 3.22Å
147	C	72.5	Confident	81	Confident	21 Å²	21	53.2 Å²	53.2	14%	0.142	26%	0.26	C	S	.	.	S	Bend	trans	-141	152.5	175.8	59.7	0	0	0	0	110.9	S144 R145 Q151 R152 L155	S144-C147 PolarHBondContact O-SG 2.66Å; R145-C147 PolarHBondContact O-N 2.96Å; C147-Q151 VanDerWaalsContact CA-OE1 3.31Å; C147-Q151 HydrophobicContact CB-CB 3.77Å; C147-R152 WeakPolarHBondContact SG-CG 3.4Å; C147-L155 HydrophobicContact CB-CD1 4.38Å
148	S	72.2	Confident	80.7	Confident	56 Å²	56	55.6 Å²	55.6	39%	0.392	27%	0.27	S	S	.	.			trans	-66.4	161.3	174.5	72.9	0	0	0	0	111.3	D150 Q151 R152	S148-D150 PolarHBondContact O-N 2.91Å; S148-Q151 WeakPolarHBondContact O-CB 3.49Å; S148-Q151 PolarHBondContact O-N 3.32Å; S148-Q151 VanDerWaalsContact O-N 3.08Å; S148-Q151 VanDerWaalsContact OG-CG 3.31Å; S148-Q151 WeakPolarHBondContact OG-CG 3.39Å; S148-Q151 PolarHBondContact OG-N 2.82Å; S148-R152 WeakPolarHBondContact O-CG 3.37Å; S148-R152 PolarHBondContact O-N 3.05Å
149	N	69.7	Low	80.3	Confident	114 Å²	114	55 Å²	55	61%	0.61	27%	0.267	S	S	*	.	H	α-helix	trans	-57.6	-35.2	177.6	-76	-23.5	0	0	0	112.8	R152 K153	N149-R152 WeakPolarHBondContact O-CB 3.39Å; N149-R152 PolarHBondContact O-N 3.28Å; N149-K153 PolarHBondContact O-N 3.25Å
150	D	68.3	Low	80	Confident	114 Å²	114	55.7 Å²	55.7	61%	0.61	27%	0.27	S	S	*	.	H	α-helix	trans	-69.2	-41.9	175.9	-59.3	-39	0	0	0	111.4	S148 R152 K153 I154	S148-D150 PolarHBondContact O-N 2.91Å; D150-R152 VanDerWaalsContact C-N 3.31Å; D150-R152 PolarHBondContact O-N 3.26Å; D150-K153 PolarHBondContact O-N 2.86Å; D150-I154 VanDerWaalsContact O-CG1 3.32Å; D150-I154 WeakPolarHBondContact O-CG1 3.34Å; D150-I154 PolarHBondContact O-N 2.93Å; D150-I154 VanDerWaalsContact O-N 3.09Å
151	Q	72.5	Confident	79.3	Confident	77 Å²	77	61.3 Å²	61.3	36%	0.36	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-37.8	174.1	-72.7	172.3	-16.8	0	0	111.8	C147 S148 K153 I154 L155	C147-Q151 VanDerWaalsContact CA-OE1 3.31Å; C147-Q151 HydrophobicContact CB-CB 3.77Å; S148-Q151 WeakPolarHBondContact O-CB 3.49Å; S148-Q151 PolarHBondContact O-N 3.32Å; S148-Q151 VanDerWaalsContact O-N 3.08Å; S148-Q151 VanDerWaalsContact OG-CG 3.31Å; S148-Q151 WeakPolarHBondContact OG-CG 3.39Å; S148-Q151 PolarHBondContact OG-N 2.82Å; Q151-K153 PolarHBondContact O-N 3.29Å; Q151-I154 PolarHBondContact O-N 2.79Å; Q151-L155 WeakPolarHBondContact O-CB 3.47Å; Q151-L155 VanDerWaalsContact O-CG 3.27Å; Q151-L155 WeakPolarHBondContact O-CG 3.45Å; Q151-L155 PolarHBondContact O-N 2.88Å
152	R	78.4	Confident	78.9	Confident	60 Å²	60	61.6 Å²	61.6	23%	0.226	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-51.2	174.7	-72.3	-178.8	-179.3	-175.9	-3.4	111.2	C147 S148 N149 D150 I154 L155 M156 F169	C147-R152 WeakPolarHBondContact SG-CG 3.4Å; S148-R152 WeakPolarHBondContact O-CG 3.37Å; S148-R152 PolarHBondContact O-N 3.05Å; N149-R152 WeakPolarHBondContact O-CB 3.39Å; N149-R152 PolarHBondContact O-N 3.28Å; D150-R152 VanDerWaalsContact C-N 3.31Å; D150-R152 PolarHBondContact O-N 3.26Å; R152-I154 VanDerWaalsContact C-N 3.32Å; R152-I154 PolarHBondContact O-N 3.25Å; R152-L155 PolarHBondContact O-N 3.47Å; R152-M156 WeakPolarHBondContact O-CB 3.3Å; R152-M156 VanDerWaalsContact O-CG 3.26Å; R152-M156 WeakPolarHBondContact O-CG 3.27Å; R152-M156 PolarHBondContact O-N 3.38Å; R152-F169 HydrophobicContact CB-CE1 4.21Å; R152-F169 HydrophobicContact CB-CZ 3.85Å; R152-F169 HydrophobicContact CG-CE1 3.74Å; R152-F169 HydrophobicContact CG-CZ 3.78Å
153	K	73.4	Confident	78.4	Confident	141 Å²	141	62.2 Å²	62.2	61%	0.613	30%	0.303	S	S	*	.	H	α-helix	trans	-59.3	-44	178.6	-69.4	178.9	179.5	179	0	111.6	N149 D150 Q151 N157	N149-K153 PolarHBondContact O-N 3.25Å; D150-K153 PolarHBondContact O-N 2.86Å; Q151-K153 PolarHBondContact O-N 3.29Å; K153-N157 VanDerWaalsContact O-CB 3.25Å; K153-N157 WeakPolarHBondContact O-CB 3.4Å; K153-N157 PolarHBondContact O-N 2.91Å
154	I	76.6	Confident	78.2	Confident	75 Å²	75	62.1 Å²	62.1	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-47.2	179	-66.7	165.8	0	0	0	111	D150 Q151 R152 K158	D150-I154 VanDerWaalsContact O-CG1 3.32Å; D150-I154 WeakPolarHBondContact O-CG1 3.34Å; D150-I154 PolarHBondContact O-N 2.93Å; D150-I154 VanDerWaalsContact O-N 3.09Å; Q151-I154 PolarHBondContact O-N 2.79Å; R152-I154 VanDerWaalsContact C-N 3.32Å; R152-I154 PolarHBondContact O-N 3.25Å; I154-K158 HydrophobicContact CG2-CD 4.31Å; I154-K158 WeakPolarHBondContact O-CG 3.33Å; I154-K158 PolarHBondContact O-N 3.33Å
155	L	79.8	Confident	78.4	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-44.6	-178.6	-70.5	173.1	0	0	0	112	L91 L143 C147 Q151 R152 K158 A159	L91-L155 HydrophobicContact CB-CD2 4.26Å; L91-L155 HydrophobicContact CD2-CD2 4.02Å; L91-L155 HydrophobicContact CG-CD2 3.94Å; L91-L155 VanDerWaalsContact O-CD2 3.29Å; L91-L155 WeakPolarHBondContact O-CD2 3.13Å; L143-L155 HydrophobicContact CD1-CB 4.02Å; L143-L155 HydrophobicContact CD2-CB 4.2Å; C147-L155 HydrophobicContact CB-CD1 4.38Å; Q151-L155 WeakPolarHBondContact O-CB 3.47Å; Q151-L155 VanDerWaalsContact O-CG 3.27Å; Q151-L155 WeakPolarHBondContact O-CG 3.45Å; Q151-L155 PolarHBondContact O-N 2.88Å; R152-L155 PolarHBondContact O-N 3.47Å; L155-K158 PolarHBondContact O-N 3.27Å; L155-A159 PolarHBondContact O-N 3.27Å
156	M	82.1	Confident	78.6	Confident	35 Å²	35	57.8 Å²	57.8	17%	0.172	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-50	175.8	-70.9	175	74.7	0	0	111.1	L143 R152 K158 A159 L160 C167 F169 I321	L143-M156 HydrophobicContact CD1-CB 4.47Å; L143-M156 HydrophobicContact CD1-CG 3.73Å; R152-M156 WeakPolarHBondContact O-CB 3.3Å; R152-M156 VanDerWaalsContact O-CG 3.26Å; R152-M156 WeakPolarHBondContact O-CG 3.27Å; R152-M156 PolarHBondContact O-N 3.38Å; M156-K158 PolarHBondContact O-N 3.14Å; M156-A159 PolarHBondContact O-N 3.44Å; M156-L160 HydrophobicContact CB-CD1 4.37Å; M156-L160 WeakPolarHBondContact O-CB 3.44Å; M156-L160 WeakPolarHBondContact O-CD1 3.46Å; M156-L160 WeakPolarHBondContact O-CG 3.23Å; M156-L160 PolarHBondContact O-N 3.49Å; M156-C167 HydrophobicContact CG-CB 4.08Å; M156-F169 HydrophobicContact CG-CE2 4.23Å; M156-F169 HydrophobicContact CG-CZ 3.82Å; M156-F169 HydrophobicContact SD-CE2 3.78Å; M156-F169 HydrophobicContact SD-CZ 3.76Å; M156-I321 HydrophobicContact CE-CG2 3.95Å
157	N	78.5	Confident	79	Confident	64 Å²	64	49.4 Å²	49.4	34%	0.342	25%	0.25	S	S	.	.	H	α-helix	trans	-58.7	-38.1	178.9	-167.1	-9.4	0	0	0	111.5	K153 K161	K153-N157 VanDerWaalsContact O-CB 3.25Å; K153-N157 WeakPolarHBondContact O-CB 3.4Å; K153-N157 PolarHBondContact O-N 2.91Å; N157-K161 VanDerWaalsContact O-CB 3.24Å; N157-K161 WeakPolarHBondContact O-CB 3.3Å; N157-K161 VanDerWaalsContact O-CG 3.24Å; N157-K161 WeakPolarHBondContact O-CG 3.31Å; N157-K161 PolarHBondContact O-N 2.96Å; N157-K161 WeakPolarHBondContact OD1-CD 3.45Å; N157-K161 WeakPolarHBondContact OD1-CE 3.48Å; N157-K161 PolarHBondContact OD1-NZ 3.46Å
158	K	78.5	Confident	79.8	Confident	52 Å²	52	49.1 Å²	49.1	23%	0.226	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-46.1	176.2	-77.6	-176.5	175.3	-164.9	0	113.2	L91 S93 G95 I154 L155 M156 S162	L91-K158 HydrophobicContact CD2-CB 4.48Å; S93-K158 PolarHBondContact O-NZ 2.96Å; G95-K158 VanDerWaalsContact N-NZ 3.2Å; I154-K158 HydrophobicContact CG2-CD 4.31Å; I154-K158 WeakPolarHBondContact O-CG 3.33Å; I154-K158 PolarHBondContact O-N 3.33Å; L155-K158 PolarHBondContact O-N 3.27Å; M156-K158 PolarHBondContact O-N 3.14Å; K158-S162 WeakPolarHBondContact O-CB 3.38Å; K158-S162 PolarHBondContact O-N 3.03Å; K158-S162 PolarHBondContact O-OG 3.49Å
159	A	82	Confident	80.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-44.1	178.8	0	0	0	0	0	111.4	L88 L155 M156 S162 G163 C164 C167	L88-A159 HydrophobicContact CD1-CB 3.81Å; L155-A159 PolarHBondContact O-N 3.27Å; M156-A159 PolarHBondContact O-N 3.44Å; A159-S162 WeakPolarHBondContact O-CB 3.3Å; A159-S162 PolarHBondContact O-N 3.27Å; A159-S162 VanDerWaalsContact O-N 3.1Å; A159-G163 PolarHBondContact O-N 3.24Å; A159-C164 HydrophobicContact CB-CB 4.43Å; A159-C164 WeakPolarHBondContact O-CB 3.38Å; A159-C164 PolarHBondContact O-N 3.16Å; A159-C164 VanDerWaalsContact O-N 3.16Å; A159-C167 VanDerWaalsContact CB-SG 3.51Å
160	L	83.7	Confident	81.7	Confident	14 Å²	14	45.4 Å²	45.4	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-45.7	178.6	-63.5	163.4	0	0	0	111	M156 S162 G163 C164 L318	M156-L160 HydrophobicContact CB-CD1 4.37Å; M156-L160 WeakPolarHBondContact O-CB 3.44Å; M156-L160 WeakPolarHBondContact O-CD1 3.46Å; M156-L160 WeakPolarHBondContact O-CG 3.23Å; M156-L160 PolarHBondContact O-N 3.49Å; L160-S162 PolarHBondContact O-N 3.42Å; L160-G163 PolarHBondContact O-N 3.42Å; L160-C164 WeakPolarHBondContact CD2-O 3.46Å; L160-L318 HydrophobicContact CB-CD1 3.6Å; L160-L318 HydrophobicContact CD1-CD1 3.24Å; L160-L318 HydrophobicContact CD1-CG 3.93Å; L160-L318 HydrophobicContact CG-CD1 3.91Å
161	K	78.7	Confident	82.7	Confident	119 Å²	119	40.4 Å²	40.4	52%	0.517	19%	0.194	S	C	.	.	H	α-helix	trans	-61.5	-24.4	172.2	-78.7	176.7	174.4	171.1	0	114.1	I117 N157 G163	I117-K161 HydrophobicContact CD1-CB 4.42Å; N157-K161 VanDerWaalsContact O-CB 3.24Å; N157-K161 WeakPolarHBondContact O-CB 3.3Å; N157-K161 VanDerWaalsContact O-CG 3.24Å; N157-K161 WeakPolarHBondContact O-CG 3.31Å; N157-K161 PolarHBondContact O-N 2.96Å; N157-K161 WeakPolarHBondContact OD1-CD 3.45Å; N157-K161 WeakPolarHBondContact OD1-CE 3.48Å; N157-K161 PolarHBondContact OD1-NZ 3.46Å; K161-G163 VanDerWaalsContact C-N 3.26Å
162	S	81.5	Confident	83.4	Confident	7 Å²	7	39.9 Å²	39.9	5%	0.049	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.7	176.5	-53.1	0	0	0	0	112.5	C125 K158 A159 L160	C125-S162 WeakPolarHBondContact CB-O 3.4Å; C125-S162 PolarHBondContact SG-O 2.87Å; K158-S162 WeakPolarHBondContact O-CB 3.38Å; K158-S162 PolarHBondContact O-N 3.03Å; K158-S162 PolarHBondContact O-OG 3.49Å; A159-S162 WeakPolarHBondContact O-CB 3.3Å; A159-S162 PolarHBondContact O-N 3.27Å; A159-S162 VanDerWaalsContact O-N 3.1Å; L160-S162 PolarHBondContact O-N 3.42Å
163	G	82.9	Confident	83.9	Confident	12 Å²	12	39.9 Å²	39.9	12%	0.124	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	11.1	174.7	0	0	0	0	0	115.5	R129 A159 L160 K161	R129-G163 PolarHBondContact NH2-O 3.45Å; A159-G163 PolarHBondContact O-N 3.24Å; L160-G163 PolarHBondContact O-N 3.42Å; K161-G163 VanDerWaalsContact C-N 3.26Å
164	C	86.1	Confident	84.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.			trans	-69.7	140.5	164.7	-63	0	0	0	0	109.6	I139 A159 L160	I139-C164 CarbonylContact O-C 3.55Å; A159-C164 HydrophobicContact CB-CB 4.43Å; A159-C164 WeakPolarHBondContact O-CB 3.38Å; A159-C164 PolarHBondContact O-N 3.16Å; A159-C164 VanDerWaalsContact O-N 3.16Å; L160-C164 WeakPolarHBondContact CD2-O 3.46Å
165	N	87.1	Confident	85.3	Confident	38 Å²	38	35.5 Å²	35.5	20%	0.203	19%	0.19	C	C	.	.	S	Bend	trans	-76.8	-37.8	175.8	-67.3	93.3	0	0	0	112.2	R129 V138 I139	R129-N165 PolarHBondContact NH2-OD1 3.01Å; V138-N165 HydrophobicContact CG1-CB 3.73Å; I139-N165 PolarHBondContact N-OD1 3.45Å; I139-N165 PolarHBondContact O-N 3.38Å
166	K	86.7	Confident	85.6	Confident	11 Å²	11	38.5 Å²	38.5	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	166.4	177.6	62.1	-176.7	-78.2	176.9	0	111.1	V138 I139 V140 G141 E180 E188	V138-K166 HydrophobicContact CG1-CD 4.21Å; V138-K166 HydrophobicContact CG1-CG 4.23Å; I139-K166 PolarHBondContact O-N 3.1Å; V140-K166 WeakPolarHBondContact CA-O 3.32Å; V140-K166 HydrophobicContact CB-CG 4.29Å; V140-K166 HydrophobicContact CG1-CG 4.13Å; V140-K166 HydrophobicContact CG2-CD 4.03Å; V140-K166 HydrophobicContact CG2-CG 3.68Å; G141-K166 PolarHBondContact N-O 3.36Å; K166-E180 WeakPolarHBondContact CE-OE1 3.4Å; K166-E180 IonicContact NZ-OE1 2.75Å; K166-E180 PolarHBondContact NZ-OE1 3.23Å; K166-E188 WeakPolarHBondContact CD-OE2 3.19Å; K166-E188 IonicContact NZ-OE1 3.38Å; K166-E188 PolarHBondContact NZ-OE1 3.04Å; K166-E188 IonicContact NZ-OE2 2.63Å
167	C	87	Confident	86.1	Confident	15 Å²	15	37.1 Å²	37.1	10%	0.101	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.1	175.8	-61.8	0	0	0	0	109.7	G141 L143 M156 A159	G141-C167 VanDerWaalsContact O-CA 3.3Å; G141-C167 WeakPolarHBondContact O-CA 3.44Å; L143-C167 HydrophobicContact CD1-CB 3.83Å; L143-C167 HydrophobicContact CG-CB 4.44Å; M156-C167 HydrophobicContact CG-CB 4.08Å; A159-C167 VanDerWaalsContact CB-SG 3.51Å
168	I	91.2	Very high	86.7	Confident	16 Å²	16	37 Å²	37	8%	0.082	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158.1	171.7	64.2	179.2	0	0	0	108.6	M40 V85 V140 G141 L142 L143 F177 E180	M40-I168 HydrophobicContact SD-CD1 4.39Å; V85-I168 HydrophobicContact CG1-CD1 4.45Å; V140-I168 HydrophobicContact CG1-CB 4.3Å; V140-I168 HydrophobicContact CG1-CD1 3.8Å; V140-I168 HydrophobicContact CG1-CG1 3.7Å; V140-I168 HydrophobicContact CG1-CG2 3.83Å; G141-I168 PolarHBondContact O-N 3.46Å; L142-I168 CarbonylContact C-O 3.57Å; L142-I168 WeakPolarHBondContact CA-O 3.41Å; L142-I168 HydrophobicContact CB-CG1 4.29Å; L142-I168 HydrophobicContact CD1-CD1 4.17Å; L142-I168 HydrophobicContact CD1-CG1 3.79Å; L143-I168 PolarHBondContact N-O 2.94Å; I168-F177 HydrophobicContact CD1-CD1 4.34Å; I168-F177 HydrophobicContact CD1-CE1 3.83Å; I168-E180 HydrophobicContact CG2-CG 3.88Å
169	F	90.4	Very high	86.9	Confident	55 Å²	55	38.8 Å²	38.8	24%	0.241	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	162.1	176.1	-69.2	-85.3	0	0	0	110.6	L143 S144 R152 M156 A171	L143-F169 HydrophobicContact CB-CD1 3.74Å; L143-F169 HydrophobicContact CB-CE1 3.72Å; L143-F169 HydrophobicContact CD1-CE1 4.02Å; L143-F169 HydrophobicContact CD1-CZ 4.08Å; L143-F169 CarbonylContact O-C 3.51Å; L143-F169 WeakPolarHBondContact O-CA 3.11Å; S144-F169 WeakPolarHBondContact O-CD1 3.31Å; R152-F169 HydrophobicContact CB-CE1 4.21Å; R152-F169 HydrophobicContact CB-CZ 3.85Å; R152-F169 HydrophobicContact CG-CE1 3.74Å; R152-F169 HydrophobicContact CG-CZ 3.78Å; M156-F169 HydrophobicContact CG-CE2 4.23Å; M156-F169 HydrophobicContact CG-CZ 3.82Å; M156-F169 HydrophobicContact SD-CE2 3.78Å; M156-F169 HydrophobicContact SD-CZ 3.76Å; F169-A171 PolarHBondContact O-N 2.99Å
170	E	91.2	Very high	87.1	Confident	37 Å²	37	41.8 Å²	41.8	17%	0.173	22%	0.218	C	C	.	.			trans	-50.4	129.6	173	-65	177.2	116.5	0	0	111.9	Q36 R89 L143 R145	Q36-E170 HydrophobicContact CG-CB 4.4Å; Q36-E170 HydrophobicContact CG-CG 4.09Å; R89-E170 VanDerWaalsContact CD-CG 3.49Å; R89-E170 WeakPolarHBondContact CD-OE1 3.44Å; R89-E170 HydrophobicContact CG-CG 4.13Å; R89-E170 IonicContact NH1-OE1 3.57Å; L143-E170 PolarHBondContact O-N 2.74Å; R145-E170 HydrophobicContact CB-CB 3.82Å; R145-E170 WeakPolarHBondContact CD-O 3.13Å; R145-E170 PolarHBondContact N-OE2 3.43Å; R145-E170 PolarHBondContact NH1-O 2.67Å
171	A	89.2	Confident	87.4	Confident	8 Å²	8	41.9 Å²	41.9	7%	0.066	22%	0.218	C	C	.	.			trans	-80.2	148.9	175.3	0	0	0	0	0	111.2	Q36 F39 F169 T173 D176 F177	Q36-A171 PolarHBondContact NE2-O 3.48Å; F39-A171 HydrophobicContact CD2-CB 4.31Å; F169-A171 PolarHBondContact O-N 2.99Å; A171-T173 WeakPolarHBondContact CB-O 3.32Å; A171-D176 HydrophobicContact CB-CB 3.62Å; A171-F177 HydrophobicContact CB-CD1 4.01Å; A171-F177 HydrophobicContact CB-CD2 3.54Å; A171-F177 HydrophobicContact CB-CE1 3.83Å; A171-F177 HydrophobicContact CB-CE2 3.37Å; A171-F177 HydrophobicContact CB-CG 3.86Å; A171-F177 HydrophobicContact CB-CZ 3.52Å
172	S	87.5	Confident	87.6	Confident	66 Å²	66	39.9 Å²	39.9	46%	0.462	21%	0.21	S	C	.	.	S	Bend	trans	-85	-33.1	170.4	-70.2	0	0	0	0	111.6	F39 R145 D176	F39-S172 VanDerWaalsContact CE2-O 3.28Å; F39-S172 WeakPolarHBondContact CE2-O 3.22Å; R145-S172 PolarHBondContact NH1-OG 2.84Å; S172-D176 PolarHBondContact N-OD2 3.39Å
173	T	88.2	Confident	87.6	Confident	61 Å²	61	43 Å²	43	37%	0.374	23%	0.225	S	C	.	.	S	Bend	trans	-134.6	170.7	-176.1	63.2	0	0	0	0	111.2	A171 D175 D176	A171-T173 WeakPolarHBondContact CB-O 3.32Å; T173-D175 VanDerWaalsContact C-N 3.26Å; T173-D175 PolarHBondContact OG1-N 3.1Å; T173-D176 PolarHBondContact N-OD2 3.41Å; T173-D176 PolarHBondContact OG1-N 3.42Å
174	V	91.7	Very high	87.6	Confident	24 Å²	24	42.4 Å²	42.4	15%	0.145	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-37.9	171.4	-179.8	0	0	0	0	110.6	F39 N42 A43 D176 F177 Y178	F39-V174 HydrophobicContact CD1-CG2 3.74Å; F39-V174 HydrophobicContact CE1-CG2 4.16Å; F39-V174 HydrophobicContact CG-CG2 4.33Å; N42-V174 HydrophobicContact CB-CG1 3.85Å; N42-V174 HydrophobicContact CB-CG2 4.12Å; A43-V174 HydrophobicContact CB-CG1 3.98Å; V174-D176 VanDerWaalsContact C-N 3.27Å; V174-D176 PolarHBondContact O-N 2.83Å; V174-F177 PolarHBondContact O-N 3.19Å; V174-F177 VanDerWaalsContact O-N 3.1Å; V174-Y178 PolarHBondContact O-N 3.01Å
175	D	87.5	Confident	87.3	Confident	100 Å²	100	42.9 Å²	42.9	54%	0.535	22%	0.224	S	C	.	.	H	α-helix	trans	-60	-33.9	-177.2	-53.4	-30.8	0	0	0	113.5	T173 F177 Y178 E179	T173-D175 VanDerWaalsContact C-N 3.26Å; T173-D175 PolarHBondContact OG1-N 3.1Å; D175-F177 VanDerWaalsContact C-N 3.33Å; D175-F177 PolarHBondContact O-N 2.96Å; D175-Y178 WeakPolarHBondContact O-CB 3.36Å; D175-Y178 PolarHBondContact O-N 2.94Å; D175-E179 PolarHBondContact O-N 3.25Å
176	D	85.7	Confident	86.8	Confident	74 Å²	74	44.5 Å²	44.5	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-44.1	176.5	-74	-30.4	0	0	0	111.1	A171 S172 T173 V174 E180	A171-D176 HydrophobicContact CB-CB 3.62Å; S172-D176 PolarHBondContact N-OD2 3.39Å; T173-D176 PolarHBondContact N-OD2 3.41Å; T173-D176 PolarHBondContact OG1-N 3.42Å; V174-D176 VanDerWaalsContact C-N 3.27Å; V174-D176 PolarHBondContact O-N 2.83Å; D176-E180 PolarHBondContact O-N 3.05Å
177	F	92.3	Very high	86.2	Confident	7 Å²	7	49 Å²	49	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-78.9	-29.7	176.3	-72.3	-41.9	0	0	0	112.6	F39 M40 A43 L142 I168 A171 V174 D175 E180 L181	F39-F177 HydrophobicContact CB-CD2 3.63Å; F39-F177 HydrophobicContact CB-CE2 3.9Å; M40-F177 HydrophobicContact CB-CD2 4.28Å; M40-F177 HydrophobicContact CG-CB 4.33Å; M40-F177 HydrophobicContact CG-CD1 4.09Å; M40-F177 HydrophobicContact CG-CD2 3.3Å; M40-F177 HydrophobicContact CG-CE1 4.2Å; M40-F177 HydrophobicContact CG-CE2 3.41Å; M40-F177 VanDerWaalsContact CG-CE2 3.41Å; M40-F177 HydrophobicContact CG-CG 3.68Å; M40-F177 HydrophobicContact CG-CZ 3.88Å; M40-F177 HydrophobicContact SD-CE1 4.39Å; M40-F177 HydrophobicContact SD-CE2 4.35Å; M40-F177 HydrophobicContact SD-CZ 4.25Å; A43-F177 HydrophobicContact CB-CB 3.86Å; L142-F177 HydrophobicContact CD1-CE1 4.32Å; L142-F177 HydrophobicContact CD1-CZ 4.06Å; I168-F177 HydrophobicContact CD1-CD1 4.34Å; I168-F177 HydrophobicContact CD1-CE1 3.83Å; A171-F177 HydrophobicContact CB-CD1 4.01Å; A171-F177 HydrophobicContact CB-CD2 3.54Å; A171-F177 HydrophobicContact CB-CE1 3.83Å; A171-F177 HydrophobicContact CB-CE2 3.37Å; A171-F177 HydrophobicContact CB-CG 3.86Å; A171-F177 HydrophobicContact CB-CZ 3.52Å; V174-F177 PolarHBondContact O-N 3.19Å; V174-F177 VanDerWaalsContact O-N 3.1Å; D175-F177 VanDerWaalsContact C-N 3.33Å; D175-F177 PolarHBondContact O-N 2.96Å; F177-E180 PolarHBondContact O-N 2.82Å; F177-L181 WeakPolarHBondContact O-CB 3.35Å; F177-L181 WeakPolarHBondContact O-CG 3.45Å; F177-L181 PolarHBondContact O-N 2.97Å
178	Y	91.1	Very high	85.7	Confident	62 Å²	62	51.8 Å²	51.8	24%	0.243	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-50.1	173	176	-89.1	0	0	0	111	Q46 L47 V174 D175 E180 L181 K182	Q46-Y178 HydrophobicContact CB-CD2 3.93Å; Q46-Y178 HydrophobicContact CB-CE2 4.04Å; L47-Y178 HydrophobicContact CD1-CD2 4.11Å; L47-Y178 HydrophobicContact CD1-CE2 4.31Å; L47-Y178 HydrophobicContact CD2-CD2 3.95Å; L47-Y178 HydrophobicContact CD2-CE2 3.3Å; L47-Y178 HydrophobicContact CG-CD2 3.7Å; L47-Y178 HydrophobicContact CG-CE2 3.52Å; V174-Y178 PolarHBondContact O-N 3.01Å; D175-Y178 WeakPolarHBondContact O-CB 3.36Å; D175-Y178 PolarHBondContact O-N 2.94Å; Y178-E180 VanDerWaalsContact C-N 3.34Å; Y178-E180 PolarHBondContact O-N 3.26Å; Y178-L181 PolarHBondContact O-N 2.96Å; Y178-K182 HydrophobicContact CE1-CD 3.96Å; Y178-K182 VanDerWaalsContact O-CB 3.23Å; Y178-K182 WeakPolarHBondContact O-CB 3.48Å; Y178-K182 PolarHBondContact O-N 3.39Å
179	E	83.8	Confident	85.2	Confident	88 Å²	88	52.8 Å²	52.8	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-37	177.9	-73.9	-60.9	140.4	0	0	112.2	D175 K182 N183	D175-E179 PolarHBondContact O-N 3.25Å; E179-K182 PolarHBondContact O-N 3.07Å; E179-N183 VanDerWaalsContact O-CB 3.29Å; E179-N183 WeakPolarHBondContact O-CB 3.37Å; E179-N183 PolarHBondContact O-N 2.98Å; E179-N183 PolarHBondContact O-ND2 2.67Å
180	E	86.2	Confident	84.3	Confident	64 Å²	64	55.2 Å²	55.2	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-45.3	175.9	-170.5	63.5	-151.1	0	0	112.2	K166 I168 D176 F177 Y178 N183 F184	K166-E180 WeakPolarHBondContact CE-OE1 3.4Å; K166-E180 IonicContact NZ-OE1 2.75Å; K166-E180 PolarHBondContact NZ-OE1 3.23Å; I168-E180 HydrophobicContact CG2-CG 3.88Å; D176-E180 PolarHBondContact O-N 3.05Å; F177-E180 PolarHBondContact O-N 2.82Å; Y178-E180 VanDerWaalsContact C-N 3.34Å; Y178-E180 PolarHBondContact O-N 3.26Å; E180-N183 PolarHBondContact O-N 3.01Å; E180-F184 WeakPolarHBondContact O-CB 3.37Å; E180-F184 PolarHBondContact O-N 3.02Å
181	L	88.7	Confident	83.3	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-39.9	177.4	-71.1	178.8	0	0	0	111.9	I26 A43 A44 L47 M83 F177 Y178 F184 A185	I26-L181 HydrophobicContact CD1-CD1 4.12Å; I26-L181 HydrophobicContact CD1-CD2 3.68Å; A43-L181 HydrophobicContact CB-CD1 4.1Å; A44-L181 HydrophobicContact CB-CD1 4.09Å; L47-L181 HydrophobicContact CD1-CB 3.53Å; L47-L181 HydrophobicContact CD1-CD1 4.43Å; M83-L181 HydrophobicContact CE-CD2 4.31Å; M83-L181 HydrophobicContact SD-CD2 4.02Å; F177-L181 WeakPolarHBondContact O-CB 3.35Å; F177-L181 WeakPolarHBondContact O-CG 3.45Å; F177-L181 PolarHBondContact O-N 2.97Å; Y178-L181 PolarHBondContact O-N 2.96Å; L181-F184 WeakPolarHBondContact O-CB 3.24Å; L181-F184 PolarHBondContact O-N 3.39Å; L181-A185 WeakPolarHBondContact O-CB 3.24Å; L181-A185 PolarHBondContact O-N 3.45Å
182	K	84.9	Confident	82.6	Confident	78 Å²	78	58.6 Å²	58.6	34%	0.339	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175.4	-174.7	-179.7	178.7	-171.5	0	111.5	L47 Y178 E179 A185 N186	L47-K182 HydrophobicContact CD1-CB 4.42Å; L47-K182 HydrophobicContact CD2-CB 4.5Å; Y178-K182 HydrophobicContact CE1-CD 3.96Å; Y178-K182 VanDerWaalsContact O-CB 3.23Å; Y178-K182 WeakPolarHBondContact O-CB 3.48Å; Y178-K182 PolarHBondContact O-N 3.39Å; E179-K182 PolarHBondContact O-N 3.07Å; K182-A185 PolarHBondContact O-N 3.31Å; K182-N186 VanDerWaalsContact O-CB 3.3Å; K182-N186 WeakPolarHBondContact O-CB 3.38Å; K182-N186 VanDerWaalsContact O-CG 3.31Å; K182-N186 PolarHBondContact O-N 2.86Å; K182-N186 PolarHBondContact O-ND2 3.41Å
183	N	79.4	Confident	81.9	Confident	71 Å²	71	57.6 Å²	57.6	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-41.6	174.9	-76.1	-32.6	0	0	0	111.8	E179 E180 N186 N187	E179-N183 VanDerWaalsContact O-CB 3.29Å; E179-N183 WeakPolarHBondContact O-CB 3.37Å; E179-N183 PolarHBondContact O-N 2.98Å; E179-N183 PolarHBondContact O-ND2 2.67Å; E180-N183 PolarHBondContact O-N 3.01Å; N183-N186 PolarHBondContact O-N 3.25Å; N183-N187 WeakPolarHBondContact O-CB 3.27Å; N183-N187 PolarHBondContact O-N 3.38Å; N183-N187 PolarHBondContact O-ND2 2.75Å
184	F	83.8	Confident	80.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-60.1	-50.1	174.2	178.5	-94.8	0	0	0	111.7	L24 M83 V138 E180 L181 N186 E188 W189	L24-F184 HydrophobicContact CD1-CD1 3.55Å; L24-F184 HydrophobicContact CD1-CE1 3.96Å; L24-F184 HydrophobicContact CD2-CD1 4.36Å; L24-F184 HydrophobicContact CD2-CE1 4.11Å; M83-F184 HydrophobicContact CB-CE1 4.45Å; M83-F184 HydrophobicContact CB-CZ 4.47Å; M83-F184 HydrophobicContact CE-CB 3.9Å; M83-F184 HydrophobicContact CE-CD1 3.46Å; M83-F184 VanDerWaalsContact CE-CD1 3.46Å; M83-F184 HydrophobicContact CE-CD2 3.34Å; M83-F184 HydrophobicContact CE-CE1 3.73Å; M83-F184 HydrophobicContact CE-CE2 3.64Å; M83-F184 HydrophobicContact CE-CG 3.24Å; M83-F184 HydrophobicContact CE-CZ 3.82Å; V138-F184 HydrophobicContact CB-CE2 3.79Å; V138-F184 HydrophobicContact CB-CZ 3.98Å; V138-F184 HydrophobicContact CG1-CE2 3.85Å; V138-F184 HydrophobicContact CG2-CE2 3.71Å; V138-F184 HydrophobicContact CG2-CZ 3.85Å; E180-F184 WeakPolarHBondContact O-CB 3.37Å; E180-F184 PolarHBondContact O-N 3.02Å; L181-F184 WeakPolarHBondContact O-CB 3.24Å; L181-F184 PolarHBondContact O-N 3.39Å; F184-N186 VanDerWaalsContact C-N 3.32Å; F184-N186 PolarHBondContact O-N 3.09Å; F184-E188 HydrophobicContact CD2-CB 3.6Å; F184-E188 HydrophobicContact CD2-CG 4.2Å; F184-E188 VanDerWaalsContact CD2-OE2 3.27Å; F184-E188 WeakPolarHBondContact CD2-OE2 3.39Å; F184-E188 HydrophobicContact CE2-CB 3.83Å; F184-E188 HydrophobicContact CG-CB 4.35Å; F184-E188 PolarHBondContact O-N 2.91Å; F184-W189 HydrophobicContact CD1-CB 4.21Å; F184-W189 HydrophobicContact CE1-CB 3.88Å; F184-W189 HydrophobicContact CE1-CG 4.45Å; F184-W189 HydrophobicContact CZ-CB 4.35Å; F184-W189 WeakPolarHBondContact O-CB 3.25Å; F184-W189 PolarHBondContact O-N 3.17Å
185	A	80.1	Confident	79.4	Confident	11 Å²	11	61.8 Å²	61.8	9%	0.091	30%	0.303	C	S	.	.	I	π-helix	trans	-60.2	-41.4	179.5	0	0	0	0	0	112.3	L24 L181 K182	L24-A185 HydrophobicContact CD1-CB 4.03Å; L24-A185 HydrophobicContact CG-CB 4.46Å; L181-A185 WeakPolarHBondContact O-CB 3.24Å; L181-A185 PolarHBondContact O-N 3.45Å; K182-A185 PolarHBondContact O-N 3.31Å
186	N	75.7	Confident	78.6	Confident	71 Å²	71	58.4 Å²	58.4	38%	0.38	28%	0.283	S	S	.	.	I	π-helix	trans	-79.6	-29.9	-173.6	-75.8	-32.1	0	0	0	114.3	K182 N183 F184 K190	K182-N186 VanDerWaalsContact O-CB 3.3Å; K182-N186 WeakPolarHBondContact O-CB 3.38Å; K182-N186 VanDerWaalsContact O-CG 3.31Å; K182-N186 PolarHBondContact O-N 2.86Å; K182-N186 PolarHBondContact O-ND2 3.41Å; N183-N186 PolarHBondContact O-N 3.25Å; F184-N186 VanDerWaalsContact C-N 3.32Å; F184-N186 PolarHBondContact O-N 3.09Å; N186-K190 VanDerWaalsContact O-CD 3.23Å; N186-K190 WeakPolarHBondContact O-CD 3.45Å; N186-K190 WeakPolarHBondContact O-CE 3.34Å; N186-K190 PolarHBondContact O-NZ 2.89Å
187	N	74.2	Confident	77.6	Confident	106 Å²	106	59.3 Å²	59.3	57%	0.567	29%	0.288	S	S	*	.	I	π-helix	trans	-117.3	-62.1	-170.8	-54.5	-33.2	0	0	0	111.2	N183	N183-N187 WeakPolarHBondContact O-CB 3.27Å; N183-N187 PolarHBondContact O-N 3.38Å; N183-N187 PolarHBondContact O-ND2 2.75Å
188	E	77.3	Confident	76.1	Confident	74 Å²	74	64.8 Å²	64.8	35%	0.346	31%	0.312	S	S	.	.	I	π-helix	trans	-74	-43.9	-170.7	-63.3	178.8	-137.4	0	0	112.6	K166 F184 K190 L191 L192	K166-E188 WeakPolarHBondContact CD-OE2 3.19Å; K166-E188 IonicContact NZ-OE1 3.38Å; K166-E188 PolarHBondContact NZ-OE1 3.04Å; K166-E188 IonicContact NZ-OE2 2.63Å; F184-E188 HydrophobicContact CD2-CB 3.6Å; F184-E188 HydrophobicContact CD2-CG 4.2Å; F184-E188 VanDerWaalsContact CD2-OE2 3.27Å; F184-E188 WeakPolarHBondContact CD2-OE2 3.39Å; F184-E188 HydrophobicContact CE2-CB 3.83Å; F184-E188 HydrophobicContact CG-CB 4.35Å; F184-E188 PolarHBondContact O-N 2.91Å; E188-K190 PolarHBondContact O-N 3.5Å; E188-L191 PolarHBondContact O-N 3.32Å; E188-L192 PolarHBondContact O-N 3.27Å
189	W	79.6	Confident	74.5	Confident	37 Å²	37	65.2 Å²	65.2	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-37.5	-177.4	179.5	86.8	0	0	0	112.3	V22 L24 D82 F184 L191 L192 N193	V22-W189 HydrophobicContact CB-CE3 4.36Å; V22-W189 HydrophobicContact CB-CH2 4.11Å; V22-W189 HydrophobicContact CB-CZ3 4.01Å; V22-W189 HydrophobicContact CG1-CD2 3.66Å; V22-W189 HydrophobicContact CG1-CE3 3.6Å; V22-W189 HydrophobicContact CG1-CH2 3.28Å; V22-W189 HydrophobicContact CG1-CZ2 3.36Å; V22-W189 HydrophobicContact CG1-CZ3 3.43Å; V22-W189 VanDerWaalsContact CG1-CZ3 3.43Å; V22-W189 HydrophobicContact CG2-CE3 4.08Å; V22-W189 HydrophobicContact CG2-CH2 3.64Å; V22-W189 HydrophobicContact CG2-CZ3 3.37Å; L24-W189 HydrophobicContact CD2-CB 4.12Å; L24-W189 HydrophobicContact CD2-CD2 4.1Å; L24-W189 HydrophobicContact CD2-CG 3.57Å; D82-W189 PolarHBondContact OD1-NE1 3.31Å; F184-W189 HydrophobicContact CD1-CB 4.21Å; F184-W189 HydrophobicContact CE1-CB 3.88Å; F184-W189 HydrophobicContact CE1-CG 4.45Å; F184-W189 HydrophobicContact CZ-CB 4.35Å; F184-W189 WeakPolarHBondContact O-CB 3.25Å; F184-W189 PolarHBondContact O-N 3.17Å; W189-L191 VanDerWaalsContact C-N 3.32Å; W189-L191 PolarHBondContact O-N 3.06Å; W189-L192 WeakPolarHBondContact O-CB 3.18Å; W189-L192 PolarHBondContact O-N 3.46Å; W189-N193 HydrophobicContact CD2-CB 4.4Å; W189-N193 HydrophobicContact CE3-CB 4.47Å; W189-N193 HydrophobicContact CH2-CB 4.27Å; W189-N193 WeakPolarHBondContact CH2-ND2 3.43Å; W189-N193 HydrophobicContact CZ2-CB 4.17Å; W189-N193 VanDerWaalsContact CZ2-ND2 3.32Å; W189-N193 WeakPolarHBondContact CZ2-ND2 3.32Å; W189-N193 HydrophobicContact CZ3-CB 4.39Å; W189-N193 WeakPolarHBondContact O-CB 3.26Å; W189-N193 PolarHBondContact O-N 3.31Å
190	K	71.8	Confident	73.2	Confident	105 Å²	105	68.6 Å²	68.6	46%	0.457	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-45.4	177.3	-70.2	-174.5	-170	148.8	0	111.1	N186 E188 N193 Q194	N186-K190 VanDerWaalsContact O-CD 3.23Å; N186-K190 WeakPolarHBondContact O-CD 3.45Å; N186-K190 WeakPolarHBondContact O-CE 3.34Å; N186-K190 PolarHBondContact O-NZ 2.89Å; E188-K190 PolarHBondContact O-N 3.5Å; K190-N193 PolarHBondContact O-N 3.39Å; K190-Q194 WeakPolarHBondContact O-CB 3.29Å; K190-Q194 VanDerWaalsContact O-CG 3.3Å; K190-Q194 WeakPolarHBondContact O-CG 3.43Å; K190-Q194 PolarHBondContact O-N 3.43Å
191	L	70.7	Confident	71.4	Confident	90 Å²	90	69.3 Å²	69.3	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-44.4	176.7	-168.6	74.2	0	0	0	111.2	E188 W189 N193 Q194 L195	E188-L191 PolarHBondContact O-N 3.32Å; W189-L191 VanDerWaalsContact C-N 3.32Å; W189-L191 PolarHBondContact O-N 3.06Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-N193 PolarHBondContact O-N 2.86Å; L191-Q194 PolarHBondContact O-N 3.24Å; L191-L195 HydrophobicContact CG-CD1 4.14Å; L191-L195 WeakPolarHBondContact O-CD1 3.44Å; L191-L195 PolarHBondContact O-N 3.08Å; L191-L195 VanDerWaalsContact O-N 3.09Å
192	L	73.6	Confident	69.3	Low	26 Å²	26	71.6 Å²	71.6	14%	0.136	35%	0.349	C	S	.	.	H	α-helix	trans	-57.9	-45.3	176.4	-172.3	74.6	0	0	0	111.5	V138 E188 W189 L195 R196	V138-L192 HydrophobicContact CG2-CD1 4.36Å; V138-L192 HydrophobicContact CG2-CD2 3.97Å; E188-L192 PolarHBondContact O-N 3.27Å; W189-L192 WeakPolarHBondContact O-CB 3.18Å; W189-L192 PolarHBondContact O-N 3.46Å; L192-L195 PolarHBondContact O-N 3.39Å; L192-R196 WeakPolarHBondContact O-CG 3.28Å; L192-R196 PolarHBondContact O-N 3.48Å
193	N	72.8	Confident	67.2	Low	45 Å²	45	72 Å²	72	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-73.5	-36.7	-176.8	-158.7	21.5	0	0	0	112.3	W189 K190 L191 L195 R196 N197	W189-N193 HydrophobicContact CD2-CB 4.4Å; W189-N193 HydrophobicContact CE3-CB 4.47Å; W189-N193 HydrophobicContact CH2-CB 4.27Å; W189-N193 WeakPolarHBondContact CH2-ND2 3.43Å; W189-N193 HydrophobicContact CZ2-CB 4.17Å; W189-N193 VanDerWaalsContact CZ2-ND2 3.32Å; W189-N193 WeakPolarHBondContact CZ2-ND2 3.32Å; W189-N193 HydrophobicContact CZ3-CB 4.39Å; W189-N193 WeakPolarHBondContact O-CB 3.26Å; W189-N193 PolarHBondContact O-N 3.31Å; K190-N193 PolarHBondContact O-N 3.39Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-N193 PolarHBondContact O-N 2.86Å; N193-L195 PolarHBondContact O-N 3.24Å; N193-R196 PolarHBondContact O-N 3.25Å; N193-N197 WeakPolarHBondContact O-CB 3.47Å; N193-N197 VanDerWaalsContact O-CG 3.25Å; N193-N197 PolarHBondContact O-N 3.32Å; N193-N197 PolarHBondContact O-ND2 2.88Å; N193-N197 VanDerWaalsContact O-ND2 3.17Å
194	Q	66.8	Low	65	Low	129 Å²	129	72.4 Å²	72.4	60%	0.603	36%	0.357	S	S	*	.	H	α-helix	trans	-56.9	-42.2	169.9	-78.2	174.1	-23.1	0	0	111.4	K190 L191 N197 F198	K190-Q194 WeakPolarHBondContact O-CB 3.29Å; K190-Q194 VanDerWaalsContact O-CG 3.3Å; K190-Q194 WeakPolarHBondContact O-CG 3.43Å; K190-Q194 PolarHBondContact O-N 3.43Å; L191-Q194 PolarHBondContact O-N 3.24Å; Q194-N197 PolarHBondContact O-N 3.28Å; Q194-F198 WeakPolarHBondContact O-CB 3.3Å; Q194-F198 PolarHBondContact O-N 3.09Å
195	L	61.4	Low	62.6	Low	44 Å²	44	76.1 Å²	76.1	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-70.8	-41.9	177.4	-96.9	128.8	0	0	0	114.4	L191 L192 N193 N197 F198 I199 R313	L191-L195 HydrophobicContact CG-CD1 4.14Å; L191-L195 WeakPolarHBondContact O-CD1 3.44Å; L191-L195 PolarHBondContact O-N 3.08Å; L191-L195 VanDerWaalsContact O-N 3.09Å; L192-L195 PolarHBondContact O-N 3.39Å; N193-L195 PolarHBondContact O-N 3.24Å; L195-N197 VanDerWaalsContact C-N 3.28Å; L195-N197 PolarHBondContact O-N 2.63Å; L195-F198 PolarHBondContact O-N 3.31Å; L195-I199 VanDerWaalsContact O-CG1 3.29Å; L195-I199 WeakPolarHBondContact O-CG1 3.42Å; L195-I199 PolarHBondContact O-N 3.06Å; L195-R313 VanDerWaalsContact CD1-CZ 3.45Å
196	R	71.1	Confident	60.2	Low	29 Å²	29	80.9 Å²	80.9	11%	0.109	40%	0.403	C	S	.	.	H	α-helix	trans	-56.5	-47.2	171.9	-74.4	174.2	178.8	173.5	-3.7	110.5	I81 D82 D136 L192 N193 I199 Y200	I81-R196 PolarHBondContact O-NH2 3.17Å; I81-R196 VanDerWaalsContact O-NH2 3.11Å; D82-R196 IonicContact OD1-CZ 3.53Å; D82-R196 IonicContact OD1-NH1 3.51Å; D82-R196 PolarHBondContact OD1-NH1 3.35Å; D136-R196 PolarHBondContact O-NH2 3.43Å; L192-R196 WeakPolarHBondContact O-CG 3.28Å; L192-R196 PolarHBondContact O-N 3.48Å; N193-R196 PolarHBondContact O-N 3.25Å; R196-I199 PolarHBondContact O-N 3.02Å; R196-Y200 VanDerWaalsContact O-CB 3.32Å; R196-Y200 WeakPolarHBondContact O-CB 3.48Å; R196-Y200 PolarHBondContact O-N 3.07Å
197	N	65.1	Low	57.8	Low	93 Å²	93	83.8 Å²	83.8	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-46.9	177.4	-72.7	-29.8	0	0	0	111.6	N193 Q194 L195 I199 Y200 T201	N193-N197 WeakPolarHBondContact O-CB 3.47Å; N193-N197 VanDerWaalsContact O-CG 3.25Å; N193-N197 PolarHBondContact O-N 3.32Å; N193-N197 PolarHBondContact O-ND2 2.88Å; N193-N197 VanDerWaalsContact O-ND2 3.17Å; Q194-N197 PolarHBondContact O-N 3.28Å; L195-N197 VanDerWaalsContact C-N 3.28Å; L195-N197 PolarHBondContact O-N 2.63Å; N197-I199 PolarHBondContact O-N 3.42Å; N197-Y200 PolarHBondContact O-N 2.74Å; N197-T201 PolarHBondContact O-N 3.11Å; N197-T201 PolarHBondContact O-OG1 3.39Å
198	F	59.2	Low	55.5	Low	123 Å²	123	83.7 Å²	83.7	54%	0.539	42%	0.422	S	S	.	.	H	α-helix	trans	-56.7	-50.2	178	179.7	-102.4	0	0	0	112.3	Q194 L195 Y200 T201 N202	Q194-F198 WeakPolarHBondContact O-CB 3.3Å; Q194-F198 PolarHBondContact O-N 3.09Å; L195-F198 PolarHBondContact O-N 3.31Å; F198-Y200 VanDerWaalsContact C-N 3.34Å; F198-Y200 PolarHBondContact O-N 3.05Å; F198-T201 WeakPolarHBondContact CA-OG1 3.3Å; F198-T201 PolarHBondContact O-N 3.3Å; F198-T201 PolarHBondContact O-OG1 2.91Å; F198-N202 WeakPolarHBondContact CE1-ND2 3.41Å; F198-N202 WeakPolarHBondContact CE2-ND2 3.44Å; F198-N202 WeakPolarHBondContact CZ-ND2 3.29Å; F198-N202 WeakPolarHBondContact O-CB 3.29Å; F198-N202 PolarHBondContact O-N 3.01Å; F198-N202 PolarHBondContact O-ND2 3.1Å
199	I	57.7	Low	53.1	Low	71 Å²	71	85.3 Å²	85.3	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-43.1	178.1	-65.8	166.6	0	0	0	110.6	L195 R196 N197 N202 N203	L195-I199 VanDerWaalsContact O-CG1 3.29Å; L195-I199 WeakPolarHBondContact O-CG1 3.42Å; L195-I199 PolarHBondContact O-N 3.06Å; R196-I199 PolarHBondContact O-N 3.02Å; N197-I199 PolarHBondContact O-N 3.42Å; I199-N202 PolarHBondContact O-N 3.46Å; I199-N203 WeakPolarHBondContact O-CB 3.21Å; I199-N203 PolarHBondContact O-N 3.45Å; I199-N203 PolarHBondContact O-ND2 3.24Å
200	Y	56.2	Low	50.6	Low	159 Å²	159	89.9 Å²	89.9	62%	0.624	46%	0.464	S	S	*	.	H	α-helix	trans	-66.4	-43.7	179.7	-169.5	-101.6	0	0	0	112.4	R196 N197 F198 N202 N203 I204	R196-Y200 VanDerWaalsContact O-CB 3.32Å; R196-Y200 WeakPolarHBondContact O-CB 3.48Å; R196-Y200 PolarHBondContact O-N 3.07Å; N197-Y200 PolarHBondContact O-N 2.74Å; F198-Y200 VanDerWaalsContact C-N 3.34Å; F198-Y200 PolarHBondContact O-N 3.05Å; Y200-N202 PolarHBondContact O-N 3.47Å; Y200-N203 PolarHBondContact O-N 2.97Å; Y200-I204 HydrophobicContact CD1-CD1 3.81Å; Y200-I204 HydrophobicContact CE1-CD1 3.31Å; Y200-I204 HydrophobicContact CE1-CG1 4.29Å; Y200-I204 PolarHBondContact O-N 2.97Å; Y200-I204 VanDerWaalsContact O-N 3.07Å
201	T	48.3	Very low	48.3	Very low	79 Å²	79	91.9 Å²	91.9	49%	0.485	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-41.8	174.6	31.3	0	0	0	0	112.4	N197 F198 I204 T205	N197-T201 PolarHBondContact O-N 3.11Å; N197-T201 PolarHBondContact O-OG1 3.39Å; F198-T201 WeakPolarHBondContact CA-OG1 3.3Å; F198-T201 PolarHBondContact O-N 3.3Å; F198-T201 PolarHBondContact O-OG1 2.91Å; T201-I204 PolarHBondContact O-N 3.07Å; T201-T205 PolarHBondContact O-N 3.01Å; T201-T205 PolarHBondContact O-OG1 3Å; T201-T205 VanDerWaalsContact O-OG1 3.11Å
202	N	44.7	Very low	46	Very low	62 Å²	62	92.8 Å²	92.8	33%	0.332	49%	0.489	S	S	.	.	H	α-helix	trans	-68.6	-35.3	179.9	-73.5	-16.3	0	0	0	112.4	F198 I199 Y200 T205 N206	F198-N202 WeakPolarHBondContact CE1-ND2 3.41Å; F198-N202 WeakPolarHBondContact CE2-ND2 3.44Å; F198-N202 WeakPolarHBondContact CZ-ND2 3.29Å; F198-N202 WeakPolarHBondContact O-CB 3.29Å; F198-N202 PolarHBondContact O-N 3.01Å; F198-N202 PolarHBondContact O-ND2 3.1Å; I199-N202 PolarHBondContact O-N 3.46Å; Y200-N202 PolarHBondContact O-N 3.47Å; N202-T205 VanDerWaalsContact CA-OG1 3.3Å; N202-T205 WeakPolarHBondContact CA-OG1 3.37Å; N202-T205 PolarHBondContact O-N 3.42Å; N202-T205 PolarHBondContact O-OG1 3.1Å; N202-N206 WeakPolarHBondContact O-CB 3.43Å; N202-N206 VanDerWaalsContact O-CG 3.27Å; N202-N206 PolarHBondContact O-N 2.85Å
203	N	40.9	Very low	43.6	Very low	88 Å²	88	98.3 Å²	98.3	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-70	-32.8	174.6	-75.9	-21	0	0	0	112.6	I199 Y200 N207	I199-N203 WeakPolarHBondContact O-CB 3.21Å; I199-N203 PolarHBondContact O-N 3.45Å; I199-N203 PolarHBondContact O-ND2 3.24Å; Y200-N203 PolarHBondContact O-N 2.97Å; N203-N207 WeakPolarHBondContact O-CB 3.37Å; N203-N207 PolarHBondContact O-N 3.46Å; N203-N207 VanDerWaalsContact O-N 3.1Å
204	I	34.1	Very low	41.3	Very low	79 Å²	79	102.6 Å²	102.6	41%	0.405	55%	0.552	S	S	.	*	H	α-helix	trans	-68.4	-45.4	172.7	-70.3	175.5	0	0	0	110.5	Y200 T201 N206 N207 T208	Y200-I204 HydrophobicContact CD1-CD1 3.81Å; Y200-I204 HydrophobicContact CE1-CD1 3.31Å; Y200-I204 HydrophobicContact CE1-CG1 4.29Å; Y200-I204 PolarHBondContact O-N 2.97Å; Y200-I204 VanDerWaalsContact O-N 3.07Å; T201-I204 PolarHBondContact O-N 3.07Å; I204-N206 PolarHBondContact O-N 2.77Å; I204-N207 CarbonylContact O-C 3.53Å; I204-N207 PolarHBondContact O-N 3.43Å; I204-N207 VanDerWaalsContact O-N 3.09Å; I204-T208 PolarHBondContact O-N 3.24Å; I204-T208 PolarHBondContact O-OG1 2.95Å
205	T	32.5	Very low	39.3	Very low	77 Å²	77	101.4 Å²	101.4	47%	0.472	56%	0.558	S	S	.	*	H	α-helix	trans	-62.7	-31.5	178.3	41.9	0	0	0	0	112.8	T201 N202	T201-T205 PolarHBondContact O-N 3.01Å; T201-T205 PolarHBondContact O-OG1 3Å; T201-T205 VanDerWaalsContact O-OG1 3.11Å; N202-T205 VanDerWaalsContact CA-OG1 3.3Å; N202-T205 WeakPolarHBondContact CA-OG1 3.37Å; N202-T205 PolarHBondContact O-N 3.42Å; N202-T205 PolarHBondContact O-OG1 3.1Å
206	N	30.1	Very low	37.5	Very low	111 Å²	111	104.8 Å²	104.8	59%	0.594	58%	0.583	S	S	*	*	H	α-helix	trans	-78.8	-23	175.3	-69.3	-6.6	0	0	0	113.3	N202 I204 T209	N202-N206 WeakPolarHBondContact O-CB 3.43Å; N202-N206 VanDerWaalsContact O-CG 3.27Å; N202-N206 PolarHBondContact O-N 2.85Å; I204-N206 PolarHBondContact O-N 2.77Å; N206-T209 PolarHBondContact O-OG1 3.47Å
207	N	26.1	Very low	35.3	Very low	133 Å²	133	109 Å²	109	71%	0.711	61%	0.614	S	S	*	*	H	α-helix	trans	-93.7	-15.3	176.2	-78.8	-18.6	0	0	0	114	N203 I204	N203-N207 WeakPolarHBondContact O-CB 3.37Å; N203-N207 PolarHBondContact O-N 3.46Å; N203-N207 VanDerWaalsContact O-N 3.1Å; I204-N207 CarbonylContact O-C 3.53Å; I204-N207 PolarHBondContact O-N 3.43Å; I204-N207 VanDerWaalsContact O-N 3.09Å
208	T	26	Very low	33.4	Very low	103 Å²	103	110.6 Å²	110.6	63%	0.632	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-0.8	176	20.2	0	0	0	0	114.4	I204	I204-T208 PolarHBondContact O-N 3.24Å; I204-T208 PolarHBondContact O-OG1 2.95Å
209	T	27.5	Very low	31.5	Very low	109 Å²	109	110.7 Å²	110.7	67%	0.669	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-3.1	175.4	40.3	0	0	0	0	114.7	N206	N206-T209 PolarHBondContact O-OG1 3.47Å
210	N	25.1	Very low	29.8	Very low	132 Å²	132	113.5 Å²	113.5	71%	0.706	66%	0.661	S	S	*	*	S	Bend	trans	-121.3	72.3	171.8	-72.4	-20.7	0	0	0	110.1
211	N	23.6	Very low	28.2	Very low	147 Å²	147	111.3 Å²	111.3	79%	0.786	67%	0.669	S	S	*	*	S	Bend	trans	-166.3	125.1	144.3	-94.5	-25.3	0	0	0	112.6
212	T	23.8	Very low	26.8	Very low	109 Å²	109	113.6 Å²	113.6	67%	0.669	68%	0.683	S	S	*	*			trans	76.8	89.7	153	59.1	0	0	0	0	118.3	T214	T212-T214 PolarHBondContact O-N 2.96Å
213	T	23.5	Very low	25.7	Very low	142 Å²	142	117.3 Å²	117.3	87%	0.871	71%	0.708	S	S	*	*				-19.6	110.1	124.2	38.9	0	0	0	0	112.7
214	T	23.8	Very low	24.7	Very low	135 Å²	135	118.7 Å²	118.7	83%	0.828	72%	0.72	S	S	*	*			trans	-100.9	93.7	165.9	40.2	0	0	0	0	108.2	T212	T212-T214 PolarHBondContact O-N 2.96Å
215	S	24.4	Very low	24.2	Very low	105 Å²	105	121.4 Å²	121.4	73%	0.734	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-69.2	154.4	156.1	45.5	0	0	0	0	110.1
216	P	24.5	Very low	23.7	Very low	114 Å²	114	124 Å²	124	74%	0.74	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-74	164	-161.9	-9.8	26.7	0	0	0	113.7
217	P	24.1	Very low	23.4	Very low	119 Å²	119	126.3 Å²	126.3	77%	0.773	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-81.3	133.7	-161.3	32.6	-32.3	0	0	0	111.8
218	P	24.6	Very low	23.1	Very low	126 Å²	126	125.7 Å²	125.7	82%	0.818	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-83.1	128.6	158.7	4.5	13.7	0	0	0	109.4
219	T	20.5	Very low	23	Very low	124 Å²	124	128.6 Å²	128.6	76%	0.761	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-63.9	148.2	169.7	29.7	0	0	0	0	112.8
220	T	20.9	Very low	22.5	Very low	131 Å²	131	129.2 Å²	129.2	80%	0.804	77%	0.774	S	S	*	*			trans	79.7	131.3	149.6	52.4	0	0	0	0	122
221	S	22.3	Very low	22.5	Very low	112 Å²	112	129 Å²	129	78%	0.783	78%	0.777	S	S	*	*			trans	104.6	100.7	149.1	75.7	0	0	0	0	118.2
222	T	19.1	Very low	22.2	Very low	127 Å²	127	132 Å²	132	78%	0.779	78%	0.783	S	S	*	*			trans	-27.8	127.8	144.8	44	0	0	0	0	115.2
223	T	23.2	Very low	22.1	Very low	141 Å²	141	130.8 Å²	130.8	87%	0.865	79%	0.785	S	S	*	*				-177.7	154.2	119.2	19.6	0	0	0	0	112.9
224	T	19.6	Very low	22	Very low	116 Å²	116	130 Å²	130	71%	0.712	78%	0.779	S	S	*	*			trans	-66.1	158	-175.2	41.3	0	0	0	0	117.5
225	N	23	Very low	21.7	Very low	137 Å²	137	130.2 Å²	130.2	73%	0.733	78%	0.776	S	S	*	*			trans	117.3	122.9	141.9	-75.4	-15.7	0	0	0	120.1
226	N	21.9	Very low	21.5	Very low	132 Å²	132	133 Å²	133	71%	0.706	78%	0.781	S	S	*	*			trans	38.8	118.7	134.8	-62	-11.6	0	0	0	120.7
227	N	24.6	Very low	21.2	Very low	158 Å²	158	134.1 Å²	134.1	85%	0.845	78%	0.779	S	S	*	*				174.3	145.7	105.6	-91.8	-24.7	0	0	0	114.3
228	T	19.2	Very low	21	Very low	121 Å²	121	135 Å²	135	74%	0.742	78%	0.782	S	S	*	*			trans	-62.8	139.2	172.9	-27.5	0	0	0	0	113.6
229	I	24	Very low	20.7	Very low	164 Å²	164	134.9 Å²	134.9	84%	0.841	78%	0.78	S	S	*	*			trans	-140.8	127.2	153.1	-62.9	-175.7	0	0	0	110.3
230	T	17.4	Very low	20.8	Very low	122 Å²	122	134.8 Å²	134.8	75%	0.748	78%	0.784	S	S	*	*			trans	-109.5	140.6	174.4	38.2	0	0	0	0	111
231	T	23.5	Very low	20.7	Very low	128 Å²	128	135.8 Å²	135.8	79%	0.785	78%	0.784	S	S	*	*			trans	-154.7	109.3	158.9	43.9	0	0	0	0	107.4
232	K	19.4	Very low	20.8	Very low	208 Å²	208	138.5 Å²	138.5	90%	0.904	79%	0.79	S	S	*	*				47.9	133.8	80.1	-77	-168.3	179	-179.9	0	112.7
233	A	20.9	Very low	20.9	Very low	85 Å²	85	139 Å²	139	70%	0.702	79%	0.788	S	S	*	*			cis	-170.3	156.1	25.3	0	0	0	0	0	114.5
234	T	21.2	Very low	20.9	Very low	124 Å²	124	139.9 Å²	139.9	76%	0.761	79%	0.787	S	S	*	*			trans	59.3	115.5	136.9	32.9	0	0	0	0	126.4
235	N	18.4	Very low	20.8	Very low	140 Å²	140	143.3 Å²	143.3	75%	0.749	79%	0.793	S	S	*	*				27.5	127.8	117.6	-67.3	-9.5	0	0	0	122.4
236	I	20.3	Very low	20.7	Very low	164 Å²	164	144.8 Å²	144.8	84%	0.841	80%	0.799	S	S	*	*			trans	-137.3	124.6	141	-63.1	-177.6	0	0	0	109.4
237	I	17.1	Very low	20.4	Very low	137 Å²	137	144.3 Å²	144.3	70%	0.703	80%	0.8	S	S	*	*			trans	-105.8	138.2	169.5	-70.9	167.7	0	0	0	106.8	T239	I237-T239 HydrophobicContact CG2-CG2 4.28Å
238	T	20.7	Very low	20.1	Very low	137 Å²	137	145.1 Å²	145.1	84%	0.84	80%	0.799	S	S	*	*			trans	-139.3	120.4	157.4	24	0	0	0	0	110.5
239	T	17.8	Very low	20	Very low	125 Å²	125	143.7 Å²	143.7	77%	0.767	79%	0.794	S	S	*	*			trans	-89.6	146.3	174.1	46.3	0	0	0	0	111.2	I237	I237-T239 HydrophobicContact CG2-CG2 4.28Å
240	S	23.1	Very low	19.8	Very low	122 Å²	122	143.7 Å²	143.7	85%	0.853	79%	0.791	S	S	*	*			trans	-153	108.8	146.9	65.2	0	0	0	0	111.3
241	N	18.9	Very low	19.9	Very low	152 Å²	152	143.4 Å²	143.4	81%	0.813	78%	0.784	S	S	*	*			trans	-73.3	150	161.6	-77.8	-25.6	0	0	0	109.9
242	N	24.2	Very low	19.7	Very low	169 Å²	169	143 Å²	143	90%	0.904	78%	0.778	S	S	*	*			trans	-158	133.1	138.3	-97.7	-17.1	0	0	0	111.2
243	N	19.9	Very low	19.6	Very low	137 Å²	137	141 Å²	141	73%	0.733	77%	0.771	S	S	*	*			trans	-72.7	155.5	175.6	-61.7	-43.7	0	0	0	111
244	D	23.4	Very low	19.5	Very low	159 Å²	159	141 Å²	141	85%	0.85	77%	0.767	S	S	*	*				178.8	140	104.5	-89.4	-24.9	0	0	0	113.3
245	F	17.2	Very low	19.4	Very low	188 Å²	188	141.9 Å²	141.9	83%	0.825	77%	0.767	S	S	*	*			trans	-78.8	137.6	173.8	-86.5	-110.2	0	0	0	110.7
246	I	21.3	Very low	19.5	Very low	169 Å²	169	142.2 Å²	142.2	87%	0.867	77%	0.767	S	S	*	*			trans	-139.5	122.7	145.4	-61.9	-175	0	0	0	108.7
247	V	16.3	Very low	19.3	Very low	121 Å²	121	142.1 Å²	142.1	73%	0.733	76%	0.764	S	S	*	*			trans	-118.9	130.5	169.7	167.6	0	0	0	0	105.6
248	E	18.4	Very low	19.3	Very low	175 Å²	175	142.2 Å²	142.2	82%	0.818	77%	0.765	S	S	*	*			trans	178.5	107.1	155.8	-100.4	170.7	-164	0	0	105.3
249	S	17.3	Very low	19.3	Very low	92 Å²	92	143.1 Å²	143.1	64%	0.643	76%	0.764	S	S	*	*				80	130.8	74.5	73.4	0	0	0	0	114.4
250	E	18.6	Very low	19.3	Very low	163 Å²	163	146 Å²	146	76%	0.762	77%	0.769	S	S	*	*			trans	94.1	120.1	148.2	-73	-173	-172.6	0	0	121.9
251	N	19.4	Very low	19.2	Very low	116 Å²	116	147.9 Å²	147.9	62%	0.62	77%	0.768	S	S	*	*				92.2	111.5	127.1	-74.1	-21	0	0	0	121
252	N	19.2	Very low	19.2	Very low	121 Å²	121	145.9 Å²	145.9	65%	0.647	77%	0.766	S	S	*	*				76.4	121	120.3	-71.4	-24.4	0	0	0	120.7
253	Q	18.4	Very low	19.2	Very low	165 Å²	165	142.3 Å²	142.3	77%	0.771	75%	0.752	S	S	*	*				75.3	110.1	126.6	-78.1	178.8	-30.4	0	0	119
254	S	18.3	Very low	19.2	Very low	86 Å²	86	144.5 Å²	144.5	60%	0.601	76%	0.755	S	S	*	*				40.2	117	123.8	63.8	0	0	0	0	118.1
255	N	18.7	Very low	19.3	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	76%	0.756	S	S	*	*				162.8	152.3	105.9	-90.9	-36.8	0	0	0	112.4
256	L	20.4	Very low	19.3	Very low	146 Å²	146	145 Å²	145	76%	0.764	76%	0.76	S	S	*	*			trans	82.4	95	152.4	-66.3	149.2	0	0	0	119
257	E	17.5	Very low	19.2	Very low	163 Å²	163	143.1 Å²	143.1	76%	0.762	76%	0.76	S	S	*	*				34.8	136.6	105.6	-78.5	-178.5	166.8	0	0	121.6
258	L	17.2	Very low	19.2	Very low	138 Å²	138	148.2 Å²	148.2	72%	0.723	77%	0.766	S	S	*	*			trans	74.7	109.7	148.7	-64.9	160	0	0	0	118.1
259	N	20.8	Very low	19.3	Very low	156 Å²	156	149.7 Å²	149.7	83%	0.834	77%	0.766	S	S	*	*				-172.7	128.9	104.3	-91.1	-35	0	0	0	112.9
260	E	17.2	Very low	19.5	Very low	187 Å²	187	153.2 Å²	153.2	87%	0.874	77%	0.772	S	S	*	*			trans	-62.2	133.5	158.6	-63.7	173.1	138	0	0	110.3
261	I	21.9	Very low	19.4	Very low	161 Å²	161	154.6 Å²	154.6	83%	0.826	78%	0.781	S	S	*	*			trans	-142.1	108.6	150.3	-58.3	-177.9	0	0	0	108.6
262	S	18	Very low	19.5	Very low	110 Å²	110	158.4 Å²	158.4	77%	0.769	79%	0.792	S	S	*	*			trans	-109.9	136.7	146.9	176.9	0	0	0	0	104.5
263	P	24.7	Very low	19.5	Very low	93 Å²	93	157.9 Å²	157.9	60%	0.604	80%	0.798	S	S	*	*				-154.6	162.7	84.4	38.6	-18.2	0	0	0	116.8
264	K	20.3	Very low	19.7	Very low	184 Å²	184	159 Å²	159	80%	0.8	80%	0.803	S	S	*	*			trans	68.7	117.6	148.4	-71.5	164.6	-179.2	-174.5	0	118.4
265	D	23.9	Very low	19.7	Very low	162 Å²	162	161.3 Å²	161.3	87%	0.866	81%	0.813	S	S	*	*				-170.2	119.9	102.9	-89.6	-25.9	0	0	0	111.5
266	E	17.6	Very low	19.8	Very low	194 Å²	194	166.2 Å²	166.2	91%	0.907	82%	0.821	S	S	*	*			trans	-80.6	122.7	158.5	-72.5	178.5	136.9	0	0	108.5
267	C	19.1	Very low	19.6	Very low	130 Å²	130	168.4 Å²	168.4	88%	0.878	83%	0.828	S	S	*	*			trans	-168.4	129.9	136.8	-120.8	0	0	0	0	113.8
268	R	17.3	Very low	19.8	Very low	228 Å²	228	166 Å²	166	86%	0.86	83%	0.826	S	S	*	*			trans	-57.2	145.7	164.4	-67.9	164.7	163.6	163.9	-5	112
269	Y	20.8	Very low	19.9	Very low	207 Å²	207	165.9 Å²	165.9	81%	0.812	83%	0.831	S	S	*	*			trans	-162.5	100.4	137.5	-104.6	-82.4	0	0	0	106.9
270	Q	19.5	Very low	19.7	Very low	166 Å²	166	165.7 Å²	165.7	78%	0.776	83%	0.829	S	S	*	*				69	123.4	95.4	-84.7	-173.2	-5.8	0	0	115.2
271	M	17.5	Very low	19.8	Very low	191 Å²	191	165.3 Å²	165.3	94%	0.941	82%	0.824	S	S	*	*			trans	-56.8	135.6	175.6	-65.8	-169.1	157.9	0	0	112.3
272	K	21.7	Very low	19.7	Very low	196 Å²	196	166.3 Å²	166.3	85%	0.852	83%	0.825	S	S	*	*			trans	-103	111.6	159.9	-77.3	-174.6	175.6	-178.8	0	109
273	S	18.9	Very low	20	Very low	111 Å²	111	167 Å²	167	78%	0.776	83%	0.83	S	S	*	*			trans	-69.3	122.7	156.7	46.1	0	0	0	0	109.3
274	E	22.2	Very low	19.8	Very low	189 Å²	189	168.8 Å²	168.8	88%	0.883	84%	0.839	S	S	*	*			trans	-119	110	157.8	-86.4	-174.8	178.6	0	0	109.5
275	T	18.9	Very low	19.9	Very low	133 Å²	133	166.6 Å²	166.6	82%	0.816	84%	0.836	S	S	*	*			trans	-67.7	122.7	168.4	25.1	0	0	0	0	110.7
276	R	20.3	Very low	20	Very low	246 Å²	246	165.5 Å²	165.5	93%	0.928	83%	0.83	S	S	*	*			trans	-142.7	105.6	150.8	-90.2	-172.7	176.1	-172.6	-1	110
277	Q	17	Very low	20.3	Very low	191 Å²	191	164.4 Å²	164.4	89%	0.893	83%	0.825	S	S	*	*			trans	-80.7	145.7	148.5	-74.9	-178.6	-22.8	0	0	107.7
278	P	21.6	Very low	20.6	Very low	112 Å²	112	164.8 Å²	164.8	73%	0.727	82%	0.817	S	S	*	*				-145.3	141.4	99.2	28.2	-7.5	0	0	0	115.8
279	T	19.5	Very low	21.2	Very low	136 Å²	136	159.8 Å²	159.8	83%	0.834	81%	0.812	S	S	*	*			trans	64.9	127.5	132	-28.4	0	0	0	0	122.5
280	I	16.1	Very low	21.8	Very low	153 Å²	153	153 Å²	153	79%	0.785	80%	0.795	S	S	*	*			trans	-68.3	137.2	174.3	-60.3	158.2	0	0	0	112.1
281	K	19.8	Very low	22.3	Very low	179 Å²	179	149.8 Å²	149.8	78%	0.778	79%	0.787	S	S	*	*				173.7	122.9	123.5	-95.4	-177.7	-179.3	-171.6	0	113.4
282	E	19.3	Very low	23	Very low	181 Å²	181	145.8 Å²	145.8	85%	0.846	77%	0.769	S	S	*	*			trans	39.5	114.1	139.1	-66.3	172.1	163.1	0	0	120.9
283	S	24.4	Very low	23.5	Very low	124 Å²	124	142.4 Å²	142.4	87%	0.867	76%	0.756	S	S	*	*			trans	-164.6	115.8	130.4	54.4	0	0	0	0	110.4
284	V	19.4	Very low	24.1	Very low	131 Å²	131	143.3 Å²	143.3	79%	0.794	75%	0.752	S	S	*	*			trans	-82.3	129.1	164.2	169.4	0	0	0	0	107.1
285	D	24	Very low	24.4	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	74%	0.738	S	S	*	*			trans	173.4	105.5	149.1	-85	-29.8	0	0	0	106.9
286	N	24.4	Very low	24.9	Very low	138 Å²	138	136.8 Å²	136.8	74%	0.738	72%	0.718	S	S	*	*				63.3	105.9	96.2	-78.9	-25.5	0	0	0	113.3
287	E	25.1	Very low	25.4	Very low	171 Å²	171	130 Å²	130	80%	0.799	70%	0.7	S	S	*	*				162.5	119	110.6	-88.2	-176.3	158.8	0	0	113.7
288	I	24.4	Very low	26	Very low	138 Å²	138	124.8 Å²	124.8	71%	0.708	68%	0.682	S	S	*	*			trans	60	91.9	130.5	-51.3	166.3	0	0	0	116.7	S290	I288-S290 PolarHBondContact O-N 3.47Å
289	T	30.1	Very low	26.5	Very low	124 Å²	124	124.5 Å²	124.5	76%	0.761	67%	0.673	S	S	*	*			trans	-65.4	124.5	153.3	38.3	0	0	0	0	109.3
290	S	33.1	Very low	27	Very low	63 Å²	63	123 Å²	123	44%	0.441	66%	0.66	S	S	.	*			trans	-63.1	147.3	-165	81.3	0	0	0	0	113.7	I288 D292 E293	I288-S290 PolarHBondContact O-N 3.47Å; S290-D292 PolarHBondContact O-N 3.48Å; S290-E293 PolarHBondContact O-N 3.46Å
291	T	30.6	Very low	27.7	Very low	100 Å²	100	119 Å²	119	61%	0.613	65%	0.646	S	S	*	*	H	α-helix	trans	-51	-11.4	175.5	40.7	0	0	0	0	116.2	K295	T291-K295 PolarHBondContact O-N 3.03Å
292	D	32.2	Very low	28.1	Very low	106 Å²	106	114.7 Å²	114.7	57%	0.567	63%	0.634	S	S	*	*	H	α-helix	trans	-81.4	-31.5	-177.5	-66	-27.2	0	0	0	112.8	S290 L294 K295 A296	S290-D292 PolarHBondContact O-N 3.48Å; D292-L294 VanDerWaalsContact C-N 3.33Å; D292-L294 PolarHBondContact O-N 3.3Å; D292-K295 PolarHBondContact O-N 2.97Å; D292-A296 PolarHBondContact O-N 3.15Å
293	E	32.3	Very low	28.6	Very low	125 Å²	125	109.8 Å²	109.8	58%	0.584	62%	0.616	S	S	*	*	H	α-helix	trans	-67.2	-35.3	172.9	-88.2	-176.8	151.8	0	0	111.8	S290 A296 N297	S290-E293 PolarHBondContact O-N 3.46Å; E293-A296 PolarHBondContact O-N 3.44Å; E293-N297 PolarHBondContact O-N 3.43Å; E293-N297 VanDerWaalsContact O-N 3.17Å; E293-N297 PolarHBondContact O-ND2 3.02Å
294	L	30.8	Very low	29	Very low	130 Å²	130	107.8 Å²	107.8	68%	0.681	60%	0.599	S	S	*	*	H	α-helix	trans	-70.7	-33.1	179.4	-128.9	129	0	0	0	112	D292 V298	D292-L294 VanDerWaalsContact C-N 3.33Å; D292-L294 PolarHBondContact O-N 3.3Å; L294-V298 VanDerWaalsContact O-CG2 3.28Å; L294-V298 WeakPolarHBondContact O-CG2 3.47Å; L294-V298 PolarHBondContact O-N 3.48Å
295	K	28.4	Very low	29.5	Very low	135 Å²	135	107.3 Å²	107.3	59%	0.587	59%	0.591	S	S	*	*	H	α-helix	trans	-70.2	-39	174.3	-75.9	176.7	-177.4	167.4	0	112.4	T291 D292 I299	T291-K295 PolarHBondContact O-N 3.03Å; D292-K295 PolarHBondContact O-N 2.97Å; K295-I299 VanDerWaalsContact O-CG1 3.3Å; K295-I299 WeakPolarHBondContact O-CG1 3.38Å; K295-I299 PolarHBondContact O-N 2.87Å; K295-I299 VanDerWaalsContact O-N 3.16Å
296	A	30.8	Very low	29.9	Very low	50 Å²	50	105.1 Å²	105.1	41%	0.413	58%	0.576	S	S	.	*	H	α-helix	trans	-63.6	-46.1	177.3	0	0	0	0	0	111.5	D292 E293 V298 I299 D300	D292-A296 PolarHBondContact O-N 3.15Å; E293-A296 PolarHBondContact O-N 3.44Å; A296-V298 VanDerWaalsContact C-N 3.33Å; A296-V298 PolarHBondContact O-N 3.17Å; A296-I299 PolarHBondContact O-N 3.29Å; A296-D300 PolarHBondContact O-N 2.89Å
297	N	30.8	Very low	30.5	Very low	103 Å²	103	103.5 Å²	103.5	55%	0.551	56%	0.564	S	S	*	*	H	α-helix	trans	-65.2	-33.2	-179.4	-70.3	-22.3	0	0	0	113.3	E293 S301	E293-N297 PolarHBondContact O-N 3.43Å; E293-N297 VanDerWaalsContact O-N 3.17Å; E293-N297 PolarHBondContact O-ND2 3.02Å; N297-S301 WeakPolarHBondContact O-CB 3.48Å; N297-S301 PolarHBondContact O-N 3.32Å; N297-S301 PolarHBondContact O-OG 3.45Å
298	V	29.8	Very low	30.9	Very low	82 Å²	82	99.4 Å²	99.4	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-72.7	-38.5	176	173.3	0	0	0	0	111.5	L294 A296 S301 V302	L294-V298 VanDerWaalsContact O-CG2 3.28Å; L294-V298 WeakPolarHBondContact O-CG2 3.47Å; L294-V298 PolarHBondContact O-N 3.48Å; A296-V298 VanDerWaalsContact C-N 3.33Å; A296-V298 PolarHBondContact O-N 3.17Å; V298-S301 PolarHBondContact O-N 2.91Å; V298-V302 HydrophobicContact CG1-CG2 4.43Å; V298-V302 VanDerWaalsContact O-CG2 3.3Å; V298-V302 WeakPolarHBondContact O-CG2 3.3Å; V298-V302 PolarHBondContact O-N 3.37Å
299	I	31.7	Very low	31.3	Very low	107 Å²	107	94.4 Å²	94.4	55%	0.549	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-43.1	176	-68	167.4	0	0	0	110.4	K295 A296 V302 T303	K295-I299 VanDerWaalsContact O-CG1 3.3Å; K295-I299 WeakPolarHBondContact O-CG1 3.38Å; K295-I299 PolarHBondContact O-N 2.87Å; K295-I299 VanDerWaalsContact O-N 3.16Å; A296-I299 PolarHBondContact O-N 3.29Å; I299-V302 PolarHBondContact O-N 2.91Å; I299-T303 WeakPolarHBondContact O-CB 3.35Å; I299-T303 PolarHBondContact O-N 3.38Å; I299-T303 PolarHBondContact O-OG1 3.09Å
300	D	30.3	Very low	31.5	Very low	104 Å²	104	91 Å²	91	56%	0.556	50%	0.502	S	S	*	.	H	α-helix	trans	-63.3	-43.2	176.4	-79.9	-15.1	0	0	0	111.8	A296 V302 T303 V304	A296-D300 PolarHBondContact O-N 2.89Å; D300-V302 PolarHBondContact O-N 3.09Å; D300-T303 PolarHBondContact O-N 3.29Å; D300-V304 VanDerWaalsContact O-CG2 3.29Å; D300-V304 WeakPolarHBondContact O-CG2 3.22Å; D300-V304 PolarHBondContact O-N 3.13Å
301	S	30.1	Very low	31.7	Very low	70 Å²	70	93.7 Å²	93.7	49%	0.49	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-42.3	178.4	-57	0	0	0	0	112.9	N297 V298 T303 V304 L305	N297-S301 WeakPolarHBondContact O-CB 3.48Å; N297-S301 PolarHBondContact O-N 3.32Å; N297-S301 PolarHBondContact O-OG 3.45Å; V298-S301 PolarHBondContact O-N 2.91Å; S301-T303 VanDerWaalsContact C-N 3.34Å; S301-V304 PolarHBondContact O-N 2.95Å; S301-L305 WeakPolarHBondContact O-CG 3.43Å; S301-L305 PolarHBondContact O-N 3.44Å; S301-L305 VanDerWaalsContact O-N 3.1Å
302	V	28	Very low	31.9	Very low	87 Å²	87	93.2 Å²	93.2	53%	0.527	50%	0.496	S	S	.	.	H	α-helix	trans	-68.9	-34.6	177.3	173	0	0	0	0	111.3	V298 I299 D300 H306	V298-V302 HydrophobicContact CG1-CG2 4.43Å; V298-V302 VanDerWaalsContact O-CG2 3.3Å; V298-V302 WeakPolarHBondContact O-CG2 3.3Å; V298-V302 PolarHBondContact O-N 3.37Å; I299-V302 PolarHBondContact O-N 2.91Å; D300-V302 PolarHBondContact O-N 3.09Å; V302-H306 WeakPolarHBondContact O-CB 3.06Å; V302-H306 PolarHBondContact O-N 3.3Å
303	T	30.5	Very low	32.1	Very low	78 Å²	78	93.3 Å²	93.3	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-69.2	-38.6	177.9	-52.5	0	0	0	0	111.4	I299 D300 S301 H306 E307	I299-T303 WeakPolarHBondContact O-CB 3.35Å; I299-T303 PolarHBondContact O-N 3.38Å; I299-T303 PolarHBondContact O-OG1 3.09Å; D300-T303 PolarHBondContact O-N 3.29Å; S301-T303 VanDerWaalsContact C-N 3.34Å; T303-H306 PolarHBondContact O-N 3.24Å; T303-E307 PolarHBondContact O-N 3.36Å
304	V	33.2	Very low	32.3	Very low	82 Å²	82	89.2 Å²	89.2	50%	0.497	47%	0.469	S	S	.	.	H	α-helix	trans	-65.1	-45	174.8	172.2	0	0	0	0	111.4	D300 S301 H306 E307 Q308	D300-V304 VanDerWaalsContact O-CG2 3.29Å; D300-V304 WeakPolarHBondContact O-CG2 3.22Å; D300-V304 PolarHBondContact O-N 3.13Å; S301-V304 PolarHBondContact O-N 2.95Å; V304-H306 VanDerWaalsContact C-N 3.33Å; V304-H306 PolarHBondContact O-N 2.93Å; V304-E307 PolarHBondContact O-N 3.47Å; V304-Q308 WeakPolarHBondContact O-CG 3.23Å; V304-Q308 PolarHBondContact O-N 2.86Å
305	L	29.7	Very low	32.5	Very low	122 Å²	122	88.1 Å²	88.1	64%	0.639	46%	0.459	S	S	*	.	H	α-helix	trans	-63.3	-38.3	176.5	-72.4	169.2	0	0	0	112.2	S301 Q308 G309	S301-L305 WeakPolarHBondContact O-CG 3.43Å; S301-L305 PolarHBondContact O-N 3.44Å; S301-L305 VanDerWaalsContact O-N 3.1Å; L305-Q308 PolarHBondContact O-N 2.97Å; L305-G309 PolarHBondContact O-N 3.01Å
306	H	32.3	Very low	32.6	Very low	93 Å²	93	84.8 Å²	84.8	43%	0.431	45%	0.447	S	S	.	.	H	α-helix	trans	-68.5	-38.6	175.9	-171.9	-100.6	0	0	0	112.6	V302 T303 V304 K310	V302-H306 WeakPolarHBondContact O-CB 3.06Å; V302-H306 PolarHBondContact O-N 3.3Å; T303-H306 PolarHBondContact O-N 3.24Å; V304-H306 VanDerWaalsContact C-N 3.33Å; V304-H306 PolarHBondContact O-N 2.93Å; H306-K310 WeakPolarHBondContact O-CB 3.32Å; H306-K310 PolarHBondContact O-N 3.24Å; H306-K310 VanDerWaalsContact O-N 3.15Å
307	E	36.3	Very low	32.5	Very low	103 Å²	103	84.4 Å²	84.4	48%	0.481	44%	0.441	S	S	.	.	H	α-helix	trans	-65.1	-38.8	173.9	-101.2	-133	166.1	0	0	112.8	T303 V304 K311	T303-E307 PolarHBondContact O-N 3.36Å; V304-E307 PolarHBondContact O-N 3.47Å; E307-K311 PolarHBondContact O-N 2.9Å; E307-K311 VanDerWaalsContact O-N 3.09Å; E307-K311 IonicContact OE2-NZ 3.68Å; E307-K311 PolarHBondContact OE2-NZ 2.99Å
308	Q	34.1	Very low	32.5	Very low	86 Å²	86	82 Å²	82	40%	0.402	43%	0.428	S	S	.	.	H	α-helix	trans	-74.6	-42.6	-178.9	-69.5	-162.8	8.9	0	0	112.4	V304 L305 K310 K311 F312	V304-Q308 WeakPolarHBondContact O-CG 3.23Å; V304-Q308 PolarHBondContact O-N 2.86Å; L305-Q308 PolarHBondContact O-N 2.97Å; Q308-K310 PolarHBondContact O-N 3.47Å; Q308-K311 PolarHBondContact O-N 2.73Å; Q308-F312 WeakPolarHBondContact O-CB 3.47Å; Q308-F312 PolarHBondContact O-N 3.4Å
309	G	31.6	Very low	32.6	Very low	33 Å²	33	79.5 Å²	79.5	34%	0.34	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-29	172.5	0	0	0	0	0	113.2	L305 R313	L305-G309 PolarHBondContact O-N 3.01Å; G309-R313 WeakPolarHBondContact O-CG 3.22Å; G309-R313 PolarHBondContact O-N 3.12Å; G309-R313 VanDerWaalsContact O-N 3.13Å
310	K	35.2	Very low	32.4	Very low	51 Å²	51	79.4 Å²	79.4	22%	0.222	41%	0.409	C	S	.	.	H	α-helix	trans	-73.2	-45.3	174.9	-176.7	-175.7	173.9	-161.5	0	112.9	R129 H306 Q308 F312 R313 E314	R129-K310 VanDerWaalsContact CZ-CE 3.42Å; H306-K310 WeakPolarHBondContact O-CB 3.32Å; H306-K310 PolarHBondContact O-N 3.24Å; H306-K310 VanDerWaalsContact O-N 3.15Å; Q308-K310 PolarHBondContact O-N 3.47Å; K310-F312 PolarHBondContact O-N 3.15Å; K310-R313 PolarHBondContact O-N 3.49Å; K310-E314 VanDerWaalsContact CE-OE1 3.31Å; K310-E314 WeakPolarHBondContact CE-OE1 3.3Å; K310-E314 WeakPolarHBondContact O-CG 3.27Å; K310-E314 PolarHBondContact O-N 3.46Å
311	K	36.1	Very low	32.2	Very low	121 Å²	121	76.9 Å²	76.9	53%	0.526	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-34	173.3	-75.3	171.4	-175.4	149.3	0	111.4	E307 Q308 F315	E307-K311 PolarHBondContact O-N 2.9Å; E307-K311 VanDerWaalsContact O-N 3.09Å; E307-K311 IonicContact OE2-NZ 3.68Å; E307-K311 PolarHBondContact OE2-NZ 2.99Å; Q308-K311 PolarHBondContact O-N 2.73Å; K311-F315 VanDerWaalsContact O-CB 3.3Å; K311-F315 WeakPolarHBondContact O-CB 3.26Å; K311-F315 PolarHBondContact O-N 2.85Å
312	F	36.6	Very low	32.1	Very low	89 Å²	89	77.1 Å²	77.1	39%	0.39	39%	0.393	S	S	.	.	H	α-helix	trans	-64.8	-45.3	174.5	-173.6	-105.6	0	0	0	112.4	Q308 K310 F315 I316 A590	Q308-F312 WeakPolarHBondContact O-CB 3.47Å; Q308-F312 PolarHBondContact O-N 3.4Å; K310-F312 PolarHBondContact O-N 3.15Å; F312-F315 PolarHBondContact O-N 3.3Å; F312-I316 HydrophobicContact CD1-CG1 4.32Å; F312-I316 HydrophobicContact CD2-CG1 4.48Å; F312-I316 HydrophobicContact CE1-CG1 4.08Å; F312-I316 HydrophobicContact CE2-CD1 4.43Å; F312-I316 HydrophobicContact CE2-CG1 4.25Å; F312-I316 HydrophobicContact CZ-CD1 4.22Å; F312-I316 HydrophobicContact CZ-CG1 4.05Å; F312-I316 WeakPolarHBondContact O-CB 3.14Å; F312-I316 VanDerWaalsContact O-CG1 3.24Å; F312-I316 WeakPolarHBondContact O-CG1 3.11Å; F312-I316 PolarHBondContact O-N 3.22Å; F312-A590 HydrophobicContact CZ-CB 4.48Å
313	R	35.9	Very low	31.9	Very low	108 Å²	108	77 Å²	77	41%	0.408	39%	0.387	S	S	.	.	H	α-helix	trans	-68.2	-39.9	175	-71.7	179.1	-163.2	-164.8	0.5	113.8	L195 G309 K310 F315 S317	L195-R313 VanDerWaalsContact CD1-CZ 3.45Å; G309-R313 WeakPolarHBondContact O-CG 3.22Å; G309-R313 PolarHBondContact O-N 3.12Å; G309-R313 VanDerWaalsContact O-N 3.13Å; K310-R313 PolarHBondContact O-N 3.49Å; R313-F315 VanDerWaalsContact C-N 3.28Å; R313-F315 PolarHBondContact O-N 2.98Å; R313-S317 VanDerWaalsContact O-CB 3.22Å; R313-S317 WeakPolarHBondContact O-CB 3.48Å; R313-S317 PolarHBondContact O-N 3.45Å
314	E	35.6	Very low	31.7	Very low	39 Å²	39	79.2 Å²	79.2	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-63.4	-38.3	176.3	-74.9	173.2	-177.4	0	0	110.5	K310 L318	K310-E314 VanDerWaalsContact CE-OE1 3.31Å; K310-E314 WeakPolarHBondContact CE-OE1 3.3Å; K310-E314 WeakPolarHBondContact O-CG 3.27Å; K310-E314 PolarHBondContact O-N 3.46Å; E314-L318 VanDerWaalsContact O-CB 3.32Å; E314-L318 WeakPolarHBondContact O-CB 3.17Å; E314-L318 PolarHBondContact O-N 3.4Å
315	F	35.2	Very low	31.4	Very low	108 Å²	108	82.9 Å²	82.9	47%	0.474	40%	0.396	S	S	.	.	H	α-helix	trans	-75.9	-45.1	177.5	-175.4	-102.8	0	0	0	113	K311 F312 R313 S317 L318 V319	K311-F315 VanDerWaalsContact O-CB 3.3Å; K311-F315 WeakPolarHBondContact O-CB 3.26Å; K311-F315 PolarHBondContact O-N 2.85Å; F312-F315 PolarHBondContact O-N 3.3Å; R313-F315 VanDerWaalsContact C-N 3.28Å; R313-F315 PolarHBondContact O-N 2.98Å; F315-S317 VanDerWaalsContact C-N 3.27Å; F315-S317 PolarHBondContact O-N 3.36Å; F315-L318 PolarHBondContact O-N 2.97Å; F315-L318 VanDerWaalsContact O-N 3.12Å; F315-V319 HydrophobicContact CD1-CG2 3.95Å; F315-V319 HydrophobicContact CD2-CG2 4.06Å; F315-V319 HydrophobicContact CE1-CG2 3.53Å; F315-V319 HydrophobicContact CE2-CG2 3.64Å; F315-V319 HydrophobicContact CG-CG2 4.21Å; F315-V319 HydrophobicContact CZ-CG2 3.36Å; F315-V319 WeakPolarHBondContact O-CB 3.47Å; F315-V319 WeakPolarHBondContact O-CG2 3.11Å; F315-V319 PolarHBondContact O-N 3.37Å
316	I	30.6	Very low	31.2	Very low	64 Å²	64	80.3 Å²	80.3	33%	0.328	39%	0.386	S	S	.	.	H	α-helix	trans	-58.9	-42.7	173.9	-68.9	-74.6	0	0	0	109.1	F312 L318 F320	F312-I316 HydrophobicContact CD1-CG1 4.32Å; F312-I316 HydrophobicContact CD2-CG1 4.48Å; F312-I316 HydrophobicContact CE1-CG1 4.08Å; F312-I316 HydrophobicContact CE2-CD1 4.43Å; F312-I316 HydrophobicContact CE2-CG1 4.25Å; F312-I316 HydrophobicContact CZ-CD1 4.22Å; F312-I316 HydrophobicContact CZ-CG1 4.05Å; F312-I316 WeakPolarHBondContact O-CB 3.14Å; F312-I316 VanDerWaalsContact O-CG1 3.24Å; F312-I316 WeakPolarHBondContact O-CG1 3.11Å; F312-I316 PolarHBondContact O-N 3.22Å; I316-L318 PolarHBondContact O-N 3.47Å; I316-F320 HydrophobicContact CG2-CD2 3.58Å; I316-F320 HydrophobicContact CG2-CE2 3.85Å; I316-F320 WeakPolarHBondContact O-CA 3.45Å; I316-F320 WeakPolarHBondContact O-CB 3.48Å; I316-F320 WeakPolarHBondContact O-CD2 3.37Å; I316-F320 PolarHBondContact O-N 3.01Å
317	S	29.6	Very low	31	Very low	43 Å²	43	78.9 Å²	78.9	30%	0.301	38%	0.381	S	S	.	.	H	α-helix	trans	-70.2	-30.5	175.8	-161.4	0	0	0	0	113.4	R313 F315 I321	R313-S317 VanDerWaalsContact O-CB 3.22Å; R313-S317 WeakPolarHBondContact O-CB 3.48Å; R313-S317 PolarHBondContact O-N 3.45Å; F315-S317 VanDerWaalsContact C-N 3.27Å; F315-S317 PolarHBondContact O-N 3.36Å; S317-I321 VanDerWaalsContact O-CB 3.27Å; S317-I321 WeakPolarHBondContact O-CB 2.7Å; S317-I321 WeakPolarHBondContact O-CD1 3.22Å; S317-I321 WeakPolarHBondContact O-CG1 3.19Å; S317-I321 PolarHBondContact O-N 2.85Å
318	L	30.6	Very low	30.5	Very low	51 Å²	51	77.6 Å²	77.6	27%	0.267	38%	0.378	S	S	.	.	H	α-helix	trans	-73.1	-45.5	176.5	-140.8	122.6	0	0	0	112.1	L160 E314 F315 I316 I321 T322	L160-L318 HydrophobicContact CB-CD1 3.6Å; L160-L318 HydrophobicContact CD1-CD1 3.24Å; L160-L318 HydrophobicContact CD1-CG 3.93Å; L160-L318 HydrophobicContact CG-CD1 3.91Å; E314-L318 VanDerWaalsContact O-CB 3.32Å; E314-L318 WeakPolarHBondContact O-CB 3.17Å; E314-L318 PolarHBondContact O-N 3.4Å; F315-L318 PolarHBondContact O-N 2.97Å; F315-L318 VanDerWaalsContact O-N 3.12Å; I316-L318 PolarHBondContact O-N 3.47Å; L318-I321 PolarHBondContact O-N 2.7Å; L318-T322 PolarHBondContact O-N 3.33Å; L318-T322 PolarHBondContact O-OG1 2.65Å
319	V	31.6	Very low	30.4	Very low	31 Å²	31	76.2 Å²	76.2	19%	0.188	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-49.9	173.6	174.8	0	0	0	0	107.7	F315 I321 T322 E323	F315-V319 HydrophobicContact CD1-CG2 3.95Å; F315-V319 HydrophobicContact CD2-CG2 4.06Å; F315-V319 HydrophobicContact CE1-CG2 3.53Å; F315-V319 HydrophobicContact CE2-CG2 3.64Å; F315-V319 HydrophobicContact CG-CG2 4.21Å; F315-V319 HydrophobicContact CZ-CG2 3.36Å; F315-V319 WeakPolarHBondContact O-CB 3.47Å; F315-V319 WeakPolarHBondContact O-CG2 3.11Å; F315-V319 PolarHBondContact O-N 3.37Å; V319-I321 PolarHBondContact O-N 2.81Å; V319-T322 PolarHBondContact O-N 3.38Å; V319-E323 HydrophobicContact CG1-CB 4.48Å; V319-E323 HydrophobicContact CG1-CG 3.86Å; V319-E323 VanDerWaalsContact CG1-OE2 3.24Å; V319-E323 WeakPolarHBondContact CG1-OE2 3.2Å; V319-E323 WeakPolarHBondContact O-CA 3.24Å; V319-E323 WeakPolarHBondContact O-CB 3.38Å; V319-E323 WeakPolarHBondContact O-CG 3.3Å; V319-E323 PolarHBondContact O-N 2.65Å
320	F	27.4	Very low	30.3	Very low	105 Å²	105	77.6 Å²	77.6	46%	0.461	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-31.9	173.8	-86.4	-96.6	0	0	0	113.3	I316 E323 F324	I316-F320 HydrophobicContact CG2-CD2 3.58Å; I316-F320 HydrophobicContact CG2-CE2 3.85Å; I316-F320 WeakPolarHBondContact O-CA 3.45Å; I316-F320 WeakPolarHBondContact O-CB 3.48Å; I316-F320 WeakPolarHBondContact O-CD2 3.37Å; I316-F320 PolarHBondContact O-N 3.01Å; F320-E323 CarbonylContact O-C 3.53Å; F320-F324 WeakPolarHBondContact O-CA 3.42Å; F320-F324 WeakPolarHBondContact O-CB 3.35Å; F320-F324 PolarHBondContact O-N 3.4Å
321	I	26.1	Very low	30.2	Very low	50 Å²	50	78.6 Å²	78.6	26%	0.256	39%	0.388	S	S	.	.	H	α-helix	trans	-79	-41.6	178.5	-69.8	165.5	0	0	0	110.9	M156 S317 L318 V319 Y325	M156-I321 HydrophobicContact CE-CG2 3.95Å; S317-I321 VanDerWaalsContact O-CB 3.27Å; S317-I321 WeakPolarHBondContact O-CB 2.7Å; S317-I321 WeakPolarHBondContact O-CD1 3.22Å; S317-I321 WeakPolarHBondContact O-CG1 3.19Å; S317-I321 PolarHBondContact O-N 2.85Å; L318-I321 PolarHBondContact O-N 2.7Å; V319-I321 PolarHBondContact O-N 2.81Å; I321-Y325 HydrophobicContact CG2-CD2 4.39Å; I321-Y325 HydrophobicContact CG2-CE2 4.34Å; I321-Y325 VanDerWaalsContact O-CD2 3.26Å; I321-Y325 WeakPolarHBondContact O-CD2 3.06Å; I321-Y325 PolarHBondContact O-N 2.93Å
322	T	27.1	Very low	30.1	Very low	75 Å²	75	73.4 Å²	73.4	46%	0.46	37%	0.366	S	S	.	.	H	α-helix	trans	-71.3	-34.9	176	45.6	0	0	0	0	112	L318 V319 T326	L318-T322 PolarHBondContact O-N 3.33Å; L318-T322 PolarHBondContact O-OG1 2.65Å; V319-T322 PolarHBondContact O-N 3.38Å; T322-T326 PolarHBondContact O-N 3.36Å; T322-T326 PolarHBondContact O-OG1 2.6Å
323	E	25.3	Very low	30	Very low	85 Å²	85	71 Å²	71	40%	0.397	36%	0.359	S	S	.	.	H	α-helix	trans	-85.3	-17.6	173.3	-60.1	-172.3	169.9	0	0	114.7	V319 F320 T326 N327	V319-E323 HydrophobicContact CG1-CB 4.48Å; V319-E323 HydrophobicContact CG1-CG 3.86Å; V319-E323 VanDerWaalsContact CG1-OE2 3.24Å; V319-E323 WeakPolarHBondContact CG1-OE2 3.2Å; V319-E323 WeakPolarHBondContact O-CA 3.24Å; V319-E323 WeakPolarHBondContact O-CB 3.38Å; V319-E323 WeakPolarHBondContact O-CG 3.3Å; V319-E323 PolarHBondContact O-N 2.65Å; F320-E323 CarbonylContact O-C 3.53Å; E323-T326 VanDerWaalsContact CA-OG1 3.3Å; E323-T326 WeakPolarHBondContact CA-OG1 2.93Å; E323-T326 CarbonylContact O-C 3.14Å; E323-T326 PolarHBondContact O-N 3.28Å; E323-N327 WeakPolarHBondContact CB-ND2 3.21Å; E323-N327 WeakPolarHBondContact O-CA 3.18Å; E323-N327 WeakPolarHBondContact O-CB 3.39Å; E323-N327 PolarHBondContact O-N 3.45Å; E323-N327 PolarHBondContact OE2-ND2 2.95Å
324	F	26	Very low	29.9	Very low	125 Å²	125	66.4 Å²	66.4	55%	0.548	35%	0.345	S	S	.	.	H	α-helix	trans	-78.3	-30.7	174.7	-175.4	-99.1	0	0	0	109.9	F320 N328	F320-F324 WeakPolarHBondContact O-CA 3.42Å; F320-F324 WeakPolarHBondContact O-CB 3.35Å; F320-F324 PolarHBondContact O-N 3.4Å; F324-N328 PolarHBondContact O-N 3.44Å; F324-N328 PolarHBondContact O-ND2 3.32Å
325	Y	25.8	Very low	30	Very low	158 Å²	158	67.1 Å²	67.1	62%	0.62	35%	0.35	S	S	*	.	H	α-helix	trans	-73.6	-27.5	166.5	-74.3	-68.9	0	0	0	112.6	I321 I329	I321-Y325 HydrophobicContact CG2-CD2 4.39Å; I321-Y325 HydrophobicContact CG2-CE2 4.34Å; I321-Y325 VanDerWaalsContact O-CD2 3.26Å; I321-Y325 WeakPolarHBondContact O-CD2 3.06Å; I321-Y325 PolarHBondContact O-N 2.93Å; Y325-I329 WeakPolarHBondContact O-CD1 3.24Å; Y325-I329 WeakPolarHBondContact O-CG1 3.3Å
326	T	27.2	Very low	30.1	Very low	68 Å²	68	62.9 Å²	62.9	42%	0.417	33%	0.332	S	S	.	.	H	α-helix	trans	-99.4	-10.4	174.4	52.9	0	0	0	0	116.7	T322 E323 I329 V330	T322-T326 PolarHBondContact O-N 3.36Å; T322-T326 PolarHBondContact O-OG1 2.6Å; E323-T326 VanDerWaalsContact CA-OG1 3.3Å; E323-T326 WeakPolarHBondContact CA-OG1 2.93Å; E323-T326 CarbonylContact O-C 3.14Å; E323-T326 PolarHBondContact O-N 3.28Å; T326-I329 HydrophobicContact CG2-CD1 4.26Å; T326-I329 CarbonylContact O-C 3.55Å; T326-I329 WeakPolarHBondContact O-CA 3.47Å; T326-I329 WeakPolarHBondContact O-CB 3.47Å; T326-I329 PolarHBondContact O-N 3.4Å; T326-V330 WeakPolarHBondContact O-CG2 3.48Å; T326-V330 PolarHBondContact O-N 3.06Å
327	N	27	Very low	30.5	Very low	64 Å²	64	63 Å²	63	34%	0.342	33%	0.331	S	S	.	.	H	α-helix	trans	-102.5	-20.9	179.9	-69.2	-12.4	0	0	0	110.2	E323 I329 V330 S331	E323-N327 WeakPolarHBondContact CB-ND2 3.21Å; E323-N327 WeakPolarHBondContact O-CA 3.18Å; E323-N327 WeakPolarHBondContact O-CB 3.39Å; E323-N327 PolarHBondContact O-N 3.45Å; E323-N327 PolarHBondContact OE2-ND2 2.95Å; N327-I329 PolarHBondContact O-N 3.45Å; N327-V330 PolarHBondContact O-N 2.99Å; N327-S331 WeakPolarHBondContact O-CA 3.44Å; N327-S331 WeakPolarHBondContact O-CB 3.35Å; N327-S331 PolarHBondContact O-N 2.92Å
328	N	26.5	Very low	30.9	Very low	75 Å²	75	61.6 Å²	61.6	40%	0.401	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-17.3	152.2	-75.5	-56.8	0	0	0	111.2	F324	F324-N328 PolarHBondContact O-N 3.44Å; F324-N328 PolarHBondContact O-ND2 3.32Å
329	I	31.9	Very low	31.3	Very low	57 Å²	57	61.9 Å²	61.9	29%	0.292	32%	0.319	S	S	.	.	H	α-helix	trans	-83.1	-38.9	173.5	-58.3	172.6	0	0	0	111.7	Y325 T326 N327 V359	Y325-I329 WeakPolarHBondContact O-CD1 3.24Å; Y325-I329 WeakPolarHBondContact O-CG1 3.3Å; T326-I329 HydrophobicContact CG2-CD1 4.26Å; T326-I329 CarbonylContact O-C 3.55Å; T326-I329 WeakPolarHBondContact O-CA 3.47Å; T326-I329 WeakPolarHBondContact O-CB 3.47Å; T326-I329 PolarHBondContact O-N 3.4Å; N327-I329 PolarHBondContact O-N 3.45Å; I329-V359 HydrophobicContact CG2-CG2 4.18Å
330	V	28.3	Very low	31.4	Very low	62 Å²	62	60.9 Å²	60.9	38%	0.376	31%	0.313	S	S	.	.	H	α-helix	trans	-84.3	-45.9	177	177.9	0	0	0	0	112.4	T326 N327 L332 S333 A334	T326-V330 WeakPolarHBondContact O-CG2 3.48Å; T326-V330 PolarHBondContact O-N 3.06Å; N327-V330 PolarHBondContact O-N 2.99Å; V330-L332 VanDerWaalsContact C-N 3.31Å; V330-L332 PolarHBondContact O-N 2.89Å; V330-S333 CarbonylContact O-C 3.59Å; V330-S333 PolarHBondContact O-N 3.22Å; V330-S333 VanDerWaalsContact O-N 3.08Å; V330-A334 HydrophobicContact CG1-CB 4.48Å; V330-A334 WeakPolarHBondContact O-CB 3.36Å; V330-A334 PolarHBondContact O-N 2.98Å
331	S	33	Very low	32	Very low	72 Å²	72	60.8 Å²	60.8	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-55.4	-40.3	-176.2	177.1	0	0	0	0	112.8	N327 L335	N327-S331 WeakPolarHBondContact O-CA 3.44Å; N327-S331 WeakPolarHBondContact O-CB 3.35Å; N327-S331 PolarHBondContact O-N 2.92Å; S331-L335 WeakPolarHBondContact O-CB 3.31Å; S331-L335 PolarHBondContact O-N 3.4Å
332	L	34.9	Very low	32.5	Very low	13 Å²	13	63.6 Å²	63.6	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-76.9	-39.2	177.5	-169.2	66.1	0	0	0	112.3	V330 A334 L335 L336 I373	V330-L332 VanDerWaalsContact C-N 3.31Å; V330-L332 PolarHBondContact O-N 2.89Å; L332-A334 VanDerWaalsContact C-N 3.32Å; L332-L335 PolarHBondContact O-N 2.86Å; L332-L336 HydrophobicContact CD1-CD1 4.47Å; L332-L336 HydrophobicContact CG-CD1 3.98Å; L332-L336 WeakPolarHBondContact O-CB 3.4Å; L332-L336 WeakPolarHBondContact O-CD1 3.48Å; L332-L336 WeakPolarHBondContact O-CG 3.21Å; L332-L336 PolarHBondContact O-N 3.49Å; L332-I373 HydrophobicContact CD1-CG2 3.88Å; L332-I373 HydrophobicContact CD2-CB 3.88Å; L332-I373 HydrophobicContact CD2-CD1 3.78Å; L332-I373 HydrophobicContact CD2-CG1 4.39Å; L332-I373 HydrophobicContact CD2-CG2 3.27Å; L332-I373 HydrophobicContact CG-CG2 3.88Å
333	S	34.5	Very low	33.2	Very low	37 Å²	37	65.8 Å²	65.8	26%	0.259	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-45.9	172.2	-171.1	0	0	0	0	110.3	V330 L336 H337	V330-S333 CarbonylContact O-C 3.59Å; V330-S333 PolarHBondContact O-N 3.22Å; V330-S333 VanDerWaalsContact O-N 3.08Å; S333-L336 PolarHBondContact O-N 3.18Å; S333-H337 WeakPolarHBondContact O-CB 3.44Å; S333-H337 PolarHBondContact O-N 3.22Å; S333-H337 PolarHBondContact O-ND1 3.33Å; S333-H337 PolarHBondContact OG-CE1 2.96Å; S333-H337 PolarHBondContact OG-ND1 3.25Å
334	A	34.7	Very low	34.1	Very low	12 Å²	12	64.8 Å²	64.8	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-47	176	0	0	0	0	0	111.7	V330 L332 L336 H337 S338 D634	V330-A334 HydrophobicContact CG1-CB 4.48Å; V330-A334 WeakPolarHBondContact O-CB 3.36Å; V330-A334 PolarHBondContact O-N 2.98Å; L332-A334 VanDerWaalsContact C-N 3.32Å; A334-L336 PolarHBondContact O-N 3.48Å; A334-H337 PolarHBondContact O-N 3.26Å; A334-S338 WeakPolarHBondContact O-CB 3.47Å; A334-S338 PolarHBondContact O-N 2.91Å; A334-S338 PolarHBondContact O-OG 2.81Å; A334-D634 WeakPolarHBondContact CA-OD2 3.5Å; A334-D634 WeakPolarHBondContact CB-OD2 3.49Å
335	L	36	Very low	35.5	Very low	55 Å²	55	60.2 Å²	60.2	29%	0.288	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-30.6	176.7	-165.1	73.7	0	0	0	112	S331 L332 S338 R339	S331-L335 WeakPolarHBondContact O-CB 3.31Å; S331-L335 PolarHBondContact O-N 3.4Å; L332-L335 PolarHBondContact O-N 2.86Å; L335-S338 PolarHBondContact O-OG 3.04Å; L335-R339 WeakPolarHBondContact O-CB 3.16Å; L335-R339 VanDerWaalsContact O-CD 3.29Å; L335-R339 WeakPolarHBondContact O-CD 3.48Å; L335-R339 WeakPolarHBondContact O-CG 3.2Å; L335-R339 PolarHBondContact O-N 2.6Å
336	L	37.8	Very low	37.4	Very low	18 Å²	18	57.5 Å²	57.5	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-85.8	-35	179.2	-67.6	162.3	0	0	0	113	L332 S333 A334 C340 I351 F382	L332-L336 HydrophobicContact CD1-CD1 4.47Å; L332-L336 HydrophobicContact CG-CD1 3.98Å; L332-L336 WeakPolarHBondContact O-CB 3.4Å; L332-L336 WeakPolarHBondContact O-CD1 3.48Å; L332-L336 WeakPolarHBondContact O-CG 3.21Å; L332-L336 PolarHBondContact O-N 3.49Å; S333-L336 PolarHBondContact O-N 3.18Å; A334-L336 PolarHBondContact O-N 3.48Å; L336-C340 WeakPolarHBondContact O-CB 3.33Å; L336-C340 PolarHBondContact O-N 3.37Å; L336-I351 HydrophobicContact CD1-CB 4.07Å; L336-I351 HydrophobicContact CD1-CG2 3.13Å; L336-I351 HydrophobicContact CD2-CB 4.3Å; L336-I351 HydrophobicContact CD2-CD1 3.49Å; L336-I351 VanDerWaalsContact CD2-CD1 3.49Å; L336-I351 HydrophobicContact CD2-CG1 4.48Å; L336-I351 HydrophobicContact CD2-CG2 3.91Å; L336-I351 HydrophobicContact CG-CG2 4.14Å; L336-F382 HydrophobicContact CD2-CE2 4.33Å; L336-F382 HydrophobicContact CD2-CZ 3.73Å
337	H	38.8	Very low	39.3	Very low	66 Å²	66	57.1 Å²	57.1	31%	0.306	32%	0.324	S	S	.	.	H	α-helix	trans	-76.3	-35.3	175.2	-72.5	88.6	0	0	0	111.1	S333 A334 F343 D634	S333-H337 WeakPolarHBondContact O-CB 3.44Å; S333-H337 PolarHBondContact O-N 3.22Å; S333-H337 PolarHBondContact O-ND1 3.33Å; S333-H337 PolarHBondContact OG-CE1 2.96Å; S333-H337 PolarHBondContact OG-ND1 3.25Å; A334-H337 PolarHBondContact O-N 3.26Å; H337-F343 AromaticContact CD2-CE2 3.75Å; H337-F343 AromaticContact NE2-CE2 3.38Å; H337-F343 WeakPolarHBondContact NE2-CE2 3.38Å; H337-D634 WeakPolarHBondContact CB-OD1 3.36Å
338	S	39.4	Very low	40.9	Very low	14 Å²	14	54.6 Å²	54.6	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-70.6	-30.1	172.5	76.7	0	0	0	0	112.8	A334 L335	A334-S338 WeakPolarHBondContact O-CB 3.47Å; A334-S338 PolarHBondContact O-N 2.91Å; A334-S338 PolarHBondContact O-OG 2.81Å; L335-S338 PolarHBondContact O-OG 3.04Å
339	R	37.9	Very low	42.7	Very low	57 Å²	57	56 Å²	56	22%	0.215	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	10.1	177.5	-65.6	176.6	175.9	177.3	-3.7	114.6	L335 I386 M387 L390	L335-R339 WeakPolarHBondContact O-CB 3.16Å; L335-R339 VanDerWaalsContact O-CD 3.29Å; L335-R339 WeakPolarHBondContact O-CD 3.48Å; L335-R339 WeakPolarHBondContact O-CG 3.2Å; L335-R339 PolarHBondContact O-N 2.6Å; R339-I386 WeakPolarHBondContact O-CG2 3.42Å; R339-M387 VanDerWaalsContact CZ-CE 3.47Å; R339-M387 VanDerWaalsContact CZ-SD 3.58Å; R339-M387 PolarHBondContact NH1-SD 3.12Å; R339-L390 HydrophobicContact CB-CD1 4.33Å; R339-L390 WeakPolarHBondContact O-CD1 3.42Å
340	C	35	Very low	44.7	Very low	11 Å²	11	56.2 Å²	56.2	7%	0.074	32%	0.317	C	S	.	.			trans	-159.1	69.8	-175.4	-149.3	0	0	0	0	112.4	L336 D342 C348 I386	L336-C340 WeakPolarHBondContact O-CB 3.33Å; L336-C340 PolarHBondContact O-N 3.37Å; C340-D342 PolarHBondContact O-N 3.11Å; C340-C348 HydrophobicContact CB-CB 4.25Å; C340-C348 WeakPolarHBondContact CB-SG 3.2Å; C340-C348 WeakPolarHBondContact SG-CB 3.42Å; C340-C348 CovalentContact SG-SG 2.07Å; C340-C348 PolarHBondContact SG-SG 3.16Å; C340-I386 HydrophobicContact CB-CG2 4.05Å; C340-I386 VanDerWaalsContact SG-CG2 3.6Å
341	P	39.5	Very low	46.6	Very low	103 Å²	103	53.3 Å²	53.3	67%	0.669	30%	0.3	S	S	*	.	S	Bend	trans	-63.2	-20.4	176.2	22.7	-29.6	0	0	0	112.7	F343 L390	P341-F343 PolarHBondContact O-N 3.26Å; P341-L390 HydrophobicContact CG-CD2 4.08Å
342	D	36.7	Very low	48.3	Very low	108 Å²	108	51.3 Å²	51.3	58%	0.578	29%	0.29	S	S	*	.			trans	-89	81.3	171.1	-156	-9.3	0	0	0	111.5	C340 S344 S345	C340-D342 PolarHBondContact O-N 3.11Å; D342-S344 PolarHBondContact O-N 3.45Å; D342-S344 VanDerWaalsContact OD1-CB 3.27Å; D342-S344 WeakPolarHBondContact OD1-CB 3.4Å; D342-S344 PolarHBondContact OD1-N 3.12Å; D342-S344 PolarHBondContact OD1-OG 3.44Å; D342-S344 PolarHBondContact OD2-OG 3.23Å; D342-S345 PolarHBondContact O-N 3.23Å
343	F	41.4	Very low	50.2	Low	121 Å²	121	56.2 Å²	56.2	53%	0.531	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-1.9	176.9	-145.9	-98.6	0	0	0	113.8	H337 P341	H337-F343 AromaticContact CD2-CE2 3.75Å; H337-F343 AromaticContact NE2-CE2 3.38Å; H337-F343 WeakPolarHBondContact NE2-CE2 3.38Å; P341-F343 PolarHBondContact O-N 3.26Å
344	S	44.2	Very low	52.4	Low	65 Å²	65	56.1 Å²	56.1	46%	0.455	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.7	177.4	73.3	0	0	0	0	113.6	D342 K349	D342-S344 PolarHBondContact O-N 3.45Å; D342-S344 VanDerWaalsContact OD1-CB 3.27Å; D342-S344 WeakPolarHBondContact OD1-CB 3.4Å; D342-S344 PolarHBondContact OD1-N 3.12Å; D342-S344 PolarHBondContact OD1-OG 3.44Å; D342-S344 PolarHBondContact OD2-OG 3.23Å; S344-K349 WeakPolarHBondContact O-CE 3.18Å; S344-K349 PolarHBondContact O-NZ 3.21Å
345	S	55.7	Low	54	Low	28 Å²	28	56.5 Å²	56.5	20%	0.196	31%	0.312	C	S	.	.			trans	-59	128.2	-175.8	173.3	0	0	0	0	112.7	D342 M347 C348 K349 I386	D342-S345 PolarHBondContact O-N 3.23Å; S345-M347 PolarHBondContact O-N 3.1Å; S345-M347 PolarHBondContact OG-N 2.99Å; S345-C348 PolarHBondContact O-N 2.77Å; S345-C348 VanDerWaalsContact O-N 3.16Å; S345-K349 PolarHBondContact O-N 3.1Å; S345-I386 WeakPolarHBondContact OG-CD1 3.38Å
346	P	65.2	Low	55.5	Low	101 Å²	101	56.7 Å²	56.7	66%	0.656	32%	0.318	S	S	*	.	H	α-helix	trans	-52.9	-36.9	176.4	-27.4	34.6	0	0	0	113.6	K349 V350	P346-K349 PolarHBondContact O-N 3.1Å; P346-V350 VanDerWaalsContact O-CG2 3.25Å; P346-V350 WeakPolarHBondContact O-CG2 3.39Å; P346-V350 PolarHBondContact O-N 2.84Å
347	M	66.9	Low	57.2	Low	61 Å²	61	57.2 Å²	57.2	30%	0.3	33%	0.325	S	S	.	.	H	α-helix	trans	-70.3	-42.3	178.8	-79.1	-62.5	-161.1	0	0	112.4	S345 K349 V350 I351 I376 V381 F382 I386	S345-M347 PolarHBondContact O-N 3.1Å; S345-M347 PolarHBondContact OG-N 2.99Å; M347-K349 VanDerWaalsContact C-N 3.28Å; M347-K349 PolarHBondContact O-N 2.82Å; M347-V350 PolarHBondContact O-N 3.46Å; M347-I351 VanDerWaalsContact O-CG1 3.3Å; M347-I351 WeakPolarHBondContact O-CG1 3.2Å; M347-I351 PolarHBondContact O-N 3.08Å; M347-I376 HydrophobicContact SD-CG2 4.22Å; M347-V381 HydrophobicContact CE-CG1 4.38Å; M347-F382 HydrophobicContact CB-CD2 4.32Å; M347-I386 HydrophobicContact CB-CD1 3.88Å
348	C	61.1	Low	59.1	Low	10 Å²	10	55.2 Å²	55.2	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-36	175.4	-68.6	0	0	0	0	110.9	C340 S345 I351 G352 I386	C340-C348 HydrophobicContact CB-CB 4.25Å; C340-C348 WeakPolarHBondContact CB-SG 3.2Å; C340-C348 WeakPolarHBondContact SG-CB 3.42Å; C340-C348 CovalentContact SG-SG 2.07Å; C340-C348 PolarHBondContact SG-SG 3.16Å; S345-C348 PolarHBondContact O-N 2.77Å; S345-C348 VanDerWaalsContact O-N 3.16Å; C348-I351 PolarHBondContact O-N 3.4Å; C348-G352 PolarHBondContact O-N 3.23Å; C348-I386 WeakPolarHBondContact SG-CD1 3.38Å
349	K	63.3	Low	60.4	Low	106 Å²	106	58.5 Å²	58.5	46%	0.461	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-44.9	170.4	-71.2	171.8	178.7	156.5	0	113.1	S344 S345 P346 M347 I351 G352 I353	S344-K349 WeakPolarHBondContact O-CE 3.18Å; S344-K349 PolarHBondContact O-NZ 3.21Å; S345-K349 PolarHBondContact O-N 3.1Å; P346-K349 PolarHBondContact O-N 3.1Å; M347-K349 VanDerWaalsContact C-N 3.28Å; M347-K349 PolarHBondContact O-N 2.82Å; K349-I351 VanDerWaalsContact C-N 3.31Å; K349-I351 PolarHBondContact O-N 3.36Å; K349-G352 PolarHBondContact O-N 3.28Å; K349-I353 VanDerWaalsContact O-CG1 3.29Å; K349-I353 WeakPolarHBondContact O-CG1 3.48Å; K349-I353 PolarHBondContact O-N 2.75Å
350	V	74.5	Confident	62.1	Low	61 Å²	61	65.4 Å²	65.4	37%	0.37	36%	0.36	S	S	.	.	H	α-helix	trans	-58.7	-45.3	176.6	166.3	0	0	0	0	110.3	P346 M347 I353 L354 I376	P346-V350 VanDerWaalsContact O-CG2 3.25Å; P346-V350 WeakPolarHBondContact O-CG2 3.39Å; P346-V350 PolarHBondContact O-N 2.84Å; M347-V350 PolarHBondContact O-N 3.46Å; V350-I353 PolarHBondContact O-N 3.45Å; V350-L354 HydrophobicContact CG1-CD1 3.93Å; V350-L354 HydrophobicContact CG1-CG 4.33Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.24Å; V350-L354 PolarHBondContact O-N 2.92Å; V350-I376 HydrophobicContact CG1-CD1 4.18Å
351	I	69.1	Low	64.1	Low	1 Å²	1	66.5 Å²	66.5	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-68.3	-38.9	179.2	-57	166.2	0	0	0	111.2	L336 M347 C348 K349 I353 L354 N355 I373 I376 F382	L336-I351 HydrophobicContact CD1-CB 4.07Å; L336-I351 HydrophobicContact CD1-CG2 3.13Å; L336-I351 HydrophobicContact CD2-CB 4.3Å; L336-I351 HydrophobicContact CD2-CD1 3.49Å; L336-I351 VanDerWaalsContact CD2-CD1 3.49Å; L336-I351 HydrophobicContact CD2-CG1 4.48Å; L336-I351 HydrophobicContact CD2-CG2 3.91Å; L336-I351 HydrophobicContact CG-CG2 4.14Å; M347-I351 VanDerWaalsContact O-CG1 3.3Å; M347-I351 WeakPolarHBondContact O-CG1 3.2Å; M347-I351 PolarHBondContact O-N 3.08Å; C348-I351 PolarHBondContact O-N 3.4Å; K349-I351 VanDerWaalsContact C-N 3.31Å; K349-I351 PolarHBondContact O-N 3.36Å; I351-I353 VanDerWaalsContact C-N 3.3Å; I351-I353 PolarHBondContact O-N 3.48Å; I351-L354 PolarHBondContact O-N 2.88Å; I351-N355 VanDerWaalsContact O-CB 3.28Å; I351-N355 WeakPolarHBondContact O-CB 3.29Å; I351-N355 PolarHBondContact O-N 2.9Å; I351-I373 HydrophobicContact CG2-CB 4.4Å; I351-I373 HydrophobicContact CG2-CG1 4.18Å; I351-I373 HydrophobicContact CG2-CG2 3.42Å; I351-I373 VanDerWaalsContact CG2-CG2 3.42Å; I351-I376 HydrophobicContact CD1-CG2 3.71Å; I351-I376 HydrophobicContact CG1-CB 4.46Å; I351-I376 HydrophobicContact CG1-CD1 4.49Å; I351-I376 HydrophobicContact CG1-CG2 3.84Å; I351-F382 HydrophobicContact CD1-CD2 3.86Å; I351-F382 HydrophobicContact CD1-CE2 3.26Å; I351-F382 HydrophobicContact CD1-CZ 3.87Å
352	G	67.4	Low	65.8	Low	30 Å²	30	66 Å²	66	31%	0.309	37%	0.365	S	S	.	.	H	α-helix	trans	-57.4	-41	171.5	0	0	0	0	0	113	C348 K349 S356	C348-G352 PolarHBondContact O-N 3.23Å; K349-G352 PolarHBondContact O-N 3.28Å; G352-S356 VanDerWaalsContact O-CB 3.32Å; G352-S356 WeakPolarHBondContact O-CB 3.48Å; G352-S356 PolarHBondContact O-N 3.02Å; G352-S356 PolarHBondContact O-OG 3.26Å
353	I	75.1	Confident	67	Low	115 Å²	115	65.7 Å²	65.7	59%	0.59	36%	0.362	S	S	*	.	H	α-helix	trans	-66.4	-47.9	174.7	-68.3	164.5	0	0	0	110.8	K349 V350 I351 N355 S356 A357	K349-I353 VanDerWaalsContact O-CG1 3.29Å; K349-I353 WeakPolarHBondContact O-CG1 3.48Å; K349-I353 PolarHBondContact O-N 2.75Å; V350-I353 PolarHBondContact O-N 3.45Å; I351-I353 VanDerWaalsContact C-N 3.3Å; I351-I353 PolarHBondContact O-N 3.48Å; I353-N355 VanDerWaalsContact C-N 3.32Å; I353-N355 PolarHBondContact O-N 2.81Å; I353-S356 PolarHBondContact O-N 2.91Å; I353-A357 WeakPolarHBondContact O-CB 3.46Å; I353-A357 PolarHBondContact O-N 3.15Å
354	L	79.9	Confident	68.8	Low	35 Å²	35	64.2 Å²	64.2	18%	0.183	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-41.4	178.7	-71.2	173.2	0	0	0	111.4	V350 I351 A357 R358 L369 I373 I376	V350-L354 HydrophobicContact CG1-CD1 3.93Å; V350-L354 HydrophobicContact CG1-CG 4.33Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.24Å; V350-L354 PolarHBondContact O-N 2.92Å; I351-L354 PolarHBondContact O-N 2.88Å; L354-A357 PolarHBondContact O-N 3.39Å; L354-R358 WeakPolarHBondContact O-CB 2.92Å; L354-R358 PolarHBondContact O-N 3.39Å; L354-L369 HydrophobicContact CD2-CD2 3.82Å; L354-I373 HydrophobicContact CB-CD1 4.03Å; L354-I373 HydrophobicContact CB-CG1 3.71Å; L354-I373 HydrophobicContact CD1-CG1 4.19Å; L354-I376 HydrophobicContact CD1-CD1 3.38Å
355	N	70	Confident	70.6	Confident	20 Å²	20	64.4 Å²	64.4	11%	0.107	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-42.9	176.5	-164.3	43.2	0	0	0	111.3	I351 I353 A357 R358 V359 I373	I351-N355 VanDerWaalsContact O-CB 3.28Å; I351-N355 WeakPolarHBondContact O-CB 3.29Å; I351-N355 PolarHBondContact O-N 2.9Å; I353-N355 VanDerWaalsContact C-N 3.32Å; I353-N355 PolarHBondContact O-N 2.81Å; N355-A357 VanDerWaalsContact C-N 3.34Å; N355-A357 PolarHBondContact O-N 3.12Å; N355-R358 WeakPolarHBondContact O-CB 3.2Å; N355-R358 PolarHBondContact O-N 3.02Å; N355-R358 VanDerWaalsContact OD1-CZ 3.31Å; N355-R358 PolarHBondContact OD1-NE 3.41Å; N355-R358 PolarHBondContact OD1-NH2 3.29Å; N355-V359 VanDerWaalsContact O-CG2 3.3Å; N355-V359 WeakPolarHBondContact O-CG2 3.35Å; N355-V359 PolarHBondContact O-N 3.26Å; N355-I373 HydrophobicContact CB-CD1 4.17Å
356	S	67.3	Low	71.3	Confident	59 Å²	59	63.9 Å²	63.9	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-39.3	174.8	-61.9	0	0	0	0	112.4	G352 I353 R360	G352-S356 VanDerWaalsContact O-CB 3.32Å; G352-S356 WeakPolarHBondContact O-CB 3.48Å; G352-S356 PolarHBondContact O-N 3.02Å; G352-S356 PolarHBondContact O-OG 3.26Å; I353-S356 PolarHBondContact O-N 2.91Å; S356-R360 PolarHBondContact O-N 3.38Å; S356-R360 PolarHBondContact O-NE 2.98Å
357	A	72.5	Confident	71.4	Confident	30 Å²	30	65.8 Å²	65.8	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-65.7	-44.7	173.5	0	0	0	0	0	110.7	I353 L354 N355 V359 R360 S361 L369	I353-A357 WeakPolarHBondContact O-CB 3.46Å; I353-A357 PolarHBondContact O-N 3.15Å; L354-A357 PolarHBondContact O-N 3.39Å; N355-A357 VanDerWaalsContact C-N 3.34Å; N355-A357 PolarHBondContact O-N 3.12Å; A357-V359 VanDerWaalsContact C-N 3.35Å; A357-V359 PolarHBondContact O-N 2.68Å; A357-R360 CarbonylContact O-C 3.58Å; A357-R360 PolarHBondContact O-N 3.18Å; A357-R360 VanDerWaalsContact O-N 3.11Å; A357-S361 VanDerWaalsContact O-CB 3.31Å; A357-S361 WeakPolarHBondContact O-CB 3.15Å; A357-S361 PolarHBondContact O-N 3.33Å; A357-S361 PolarHBondContact O-OG 2.9Å; A357-L369 HydrophobicContact CB-CD1 4.02Å
358	R	79.3	Confident	72.1	Confident	24 Å²	24	67.4 Å²	67.4	9%	0.091	37%	0.369	C	S	.	.	H	α-helix	trans	-57.7	-45.3	179.7	-173.9	-176.5	66.7	85.4	-4.5	112	L354 N355 R360 S361 A366 L369	L354-R358 WeakPolarHBondContact O-CB 2.92Å; L354-R358 PolarHBondContact O-N 3.39Å; N355-R358 WeakPolarHBondContact O-CB 3.2Å; N355-R358 PolarHBondContact O-N 3.02Å; N355-R358 VanDerWaalsContact OD1-CZ 3.31Å; N355-R358 PolarHBondContact OD1-NE 3.41Å; N355-R358 PolarHBondContact OD1-NH2 3.29Å; R358-R360 VanDerWaalsContact C-N 3.27Å; R358-R360 PolarHBondContact O-N 2.54Å; R358-S361 PolarHBondContact O-N 2.87Å; R358-A366 HydrophobicContact CG-CB 3.93Å; R358-A366 WeakPolarHBondContact CG-O 2.9Å; R358-L369 VanDerWaalsContact CA-CD1 3.47Å; R358-L369 HydrophobicContact CB-CB 3.81Å; R358-L369 HydrophobicContact CB-CD1 4.01Å; R358-L369 HydrophobicContact CG-CB 3.94Å
359	V	66.3	Low	73	Confident	83 Å²	83	68.4 Å²	68.4	50%	0.503	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-33.7	178.2	171.3	0	0	0	0	112.2	I329 N355 A357	I329-V359 HydrophobicContact CG2-CG2 4.18Å; N355-V359 VanDerWaalsContact O-CG2 3.3Å; N355-V359 WeakPolarHBondContact O-CG2 3.35Å; N355-V359 PolarHBondContact O-N 3.26Å; A357-V359 VanDerWaalsContact C-N 3.35Å; A357-V359 PolarHBondContact O-N 2.68Å
360	R	74.7	Confident	73.6	Confident	202 Å²	202	65.1 Å²	65.1	76%	0.762	36%	0.359	S	S	*	.	H	α-helix	trans	-89.9	-3.9	179.1	-64.6	-175.9	-63.8	-139.8	1.1	113.8	S356 A357 R358	S356-R360 PolarHBondContact O-N 3.38Å; S356-R360 PolarHBondContact O-NE 2.98Å; A357-R360 CarbonylContact O-C 3.58Å; A357-R360 PolarHBondContact O-N 3.18Å; A357-R360 VanDerWaalsContact O-N 3.11Å; R358-R360 VanDerWaalsContact C-N 3.27Å; R358-R360 PolarHBondContact O-N 2.54Å
361	S	76.1	Confident	73.4	Confident	34 Å²	34	68.4 Å²	68.4	24%	0.238	37%	0.369	C	S	.	.	S	Bend	trans	-94.8	150.7	-171	-68.7	0	0	0	0	112.5	A357 R358 L369	A357-S361 VanDerWaalsContact O-CB 3.31Å; A357-S361 WeakPolarHBondContact O-CB 3.15Å; A357-S361 PolarHBondContact O-N 3.33Å; A357-S361 PolarHBondContact O-OG 2.9Å; R358-S361 PolarHBondContact O-N 2.87Å; S361-L369 WeakPolarHBondContact OG-CD1 3.34Å
362	P	75.6	Confident	73.8	Confident	92 Å²	92	70 Å²	70	60%	0.597	38%	0.382	S	S	*	.			trans	-57.7	150.9	166.8	-22.2	33.3	0	0	0	111.9	P364 V365 A366	P362-P364 VanDerWaalsContact C-CD 3.45Å; P362-P364 VanDerWaalsContact O-N 3.12Å; P362-V365 PolarHBondContact O-N 2.73Å; P362-A366 PolarHBondContact O-N 3.4Å
363	L	62.3	Low	74.1	Confident	101 Å²	101	68.6 Å²	68.6	53%	0.529	37%	0.368	S	S	.	.	H	α-helix	trans	-43.9	-44.7	-176.6	-98.8	151.5	0	0	0	116	A366 K367	L363-A366 PolarHBondContact O-N 3.27Å; L363-K367 WeakPolarHBondContact O-CG 3.3Å; L363-K367 PolarHBondContact O-N 3.05Å
364	P	79.4	Confident	73.7	Confident	90 Å²	90	66.8 Å²	66.8	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-61.1	-48.9	177	-23.9	34.7	0	0	0	112.5	P362 A366 K367 D368	P362-P364 VanDerWaalsContact C-CD 3.45Å; P362-P364 VanDerWaalsContact O-N 3.12Å; P364-A366 VanDerWaalsContact C-N 3.33Å; P364-A366 PolarHBondContact O-N 3.39Å; P364-K367 WeakPolarHBondContact O-CB 3.4Å; P364-K367 PolarHBondContact O-N 2.9Å; P364-D368 PolarHBondContact O-N 3.36Å; P364-D368 VanDerWaalsContact O-N 3.15Å
365	V	80.3	Confident	73.4	Confident	69 Å²	69	71.2 Å²	71.2	42%	0.418	38%	0.382	S	S	.	.	H	α-helix	trans	-66.6	-37	178.3	178.9	0	0	0	0	110.8	P362 K367 D368 L369	P362-V365 PolarHBondContact O-N 2.73Å; V365-K367 VanDerWaalsContact C-N 3.33Å; V365-K367 PolarHBondContact O-N 2.71Å; V365-D368 PolarHBondContact O-N 3.28Å; V365-L369 HydrophobicContact CG1-CD1 3.81Å; V365-L369 HydrophobicContact CG1-CG 4.24Å; V365-L369 WeakPolarHBondContact O-CB 3.35Å; V365-L369 VanDerWaalsContact O-CG 3.24Å; V365-L369 WeakPolarHBondContact O-CG 3.31Å; V365-L369 PolarHBondContact O-N 3.46Å
366	A	70.6	Confident	73.3	Confident	17 Å²	17	71.8 Å²	71.8	14%	0.14	39%	0.385	C	S	.	.	H	α-helix	trans	-64.1	-36.4	175.7	0	0	0	0	0	112.5	R358 P362 L363 P364 Q370	R358-A366 HydrophobicContact CG-CB 3.93Å; R358-A366 WeakPolarHBondContact CG-O 2.9Å; P362-A366 PolarHBondContact O-N 3.4Å; L363-A366 PolarHBondContact O-N 3.27Å; P364-A366 VanDerWaalsContact C-N 3.33Å; P364-A366 PolarHBondContact O-N 3.39Å; A366-Q370 WeakPolarHBondContact O-CB 3.48Å; A366-Q370 PolarHBondContact O-N 3.3Å
367	K	68.6	Low	73.1	Confident	141 Å²	141	69.6 Å²	69.6	61%	0.613	37%	0.369	S	S	*	.	H	α-helix	trans	-65.6	-44.1	173.3	-76.8	-177.1	176.8	-173.3	0	111.6	L363 P364 V365 Q370 K371	L363-K367 WeakPolarHBondContact O-CG 3.3Å; L363-K367 PolarHBondContact O-N 3.05Å; P364-K367 WeakPolarHBondContact O-CB 3.4Å; P364-K367 PolarHBondContact O-N 2.9Å; V365-K367 VanDerWaalsContact C-N 3.33Å; V365-K367 PolarHBondContact O-N 2.71Å; K367-Q370 WeakPolarHBondContact O-CB 3.24Å; K367-Q370 PolarHBondContact O-N 2.92Å; K367-K371 WeakPolarHBondContact O-CG 3.39Å; K367-K371 PolarHBondContact O-N 2.95Å
368	D	81.3	Confident	72.3	Confident	96 Å²	96	72.3 Å²	72.3	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-67.7	-39.3	178.7	-67.4	-26.2	0	0	0	111.9	P364 V365 Q370 K371 A372	P364-D368 PolarHBondContact O-N 3.36Å; P364-D368 VanDerWaalsContact O-N 3.15Å; V365-D368 PolarHBondContact O-N 3.28Å; D368-Q370 VanDerWaalsContact C-N 3.33Å; D368-Q370 PolarHBondContact O-N 2.92Å; D368-K371 WeakPolarHBondContact O-CB 3.32Å; D368-K371 PolarHBondContact O-N 3.04Å; D368-A372 PolarHBondContact O-N 3.46Å
369	L	79.3	Confident	71.6	Confident	30 Å²	30	72.9 Å²	72.9	16%	0.157	39%	0.394	C	S	.	.	H	α-helix	trans	-64	-37.7	172.2	-71.1	170.3	0	0	0	111.7	L354 A357 R358 S361 V365 A372 I373	L354-L369 HydrophobicContact CD2-CD2 3.82Å; A357-L369 HydrophobicContact CB-CD1 4.02Å; R358-L369 VanDerWaalsContact CA-CD1 3.47Å; R358-L369 HydrophobicContact CB-CB 3.81Å; R358-L369 HydrophobicContact CB-CD1 4.01Å; R358-L369 HydrophobicContact CG-CB 3.94Å; S361-L369 WeakPolarHBondContact OG-CD1 3.34Å; V365-L369 HydrophobicContact CG1-CD1 3.81Å; V365-L369 HydrophobicContact CG1-CG 4.24Å; V365-L369 WeakPolarHBondContact O-CB 3.35Å; V365-L369 VanDerWaalsContact O-CG 3.24Å; V365-L369 WeakPolarHBondContact O-CG 3.31Å; V365-L369 PolarHBondContact O-N 3.46Å; L369-A372 PolarHBondContact O-N 3.39Å; L369-I373 VanDerWaalsContact O-CG1 3.24Å; L369-I373 WeakPolarHBondContact O-CG1 3.46Å; L369-I373 PolarHBondContact O-N 3.25Å
370	Q	76.4	Confident	71.2	Confident	37 Å²	37	75 Å²	75	17%	0.173	40%	0.402	C	S	.	.	H	α-helix	trans	-62.8	-43.6	172.9	-172.7	62.3	52.7	0	0	111.7	A366 K367 D368 A372 I373 N374	A366-Q370 WeakPolarHBondContact O-CB 3.48Å; A366-Q370 PolarHBondContact O-N 3.3Å; K367-Q370 WeakPolarHBondContact O-CB 3.24Å; K367-Q370 PolarHBondContact O-N 2.92Å; D368-Q370 VanDerWaalsContact C-N 3.33Å; D368-Q370 PolarHBondContact O-N 2.92Å; Q370-A372 VanDerWaalsContact C-N 3.34Å; Q370-A372 PolarHBondContact O-N 2.81Å; Q370-I373 PolarHBondContact O-N 3.44Å; Q370-N374 PolarHBondContact NE2-OD1 3.37Å; Q370-N374 VanDerWaalsContact O-CG 3.25Å; Q370-N374 PolarHBondContact O-N 3.38Å; Q370-N374 PolarHBondContact O-OD1 3.2Å
371	K	71	Confident	70.5	Confident	131 Å²	131	68.7 Å²	68.7	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-60.1	-44.4	174.4	-71.9	175.6	-178.9	173.4	0	111.4	K367 D368 I373 N374 L375	K367-K371 WeakPolarHBondContact O-CG 3.39Å; K367-K371 PolarHBondContact O-N 2.95Å; D368-K371 WeakPolarHBondContact O-CB 3.32Å; D368-K371 PolarHBondContact O-N 3.04Å; K371-I373 VanDerWaalsContact C-N 3.34Å; K371-I373 PolarHBondContact O-N 2.8Å; K371-N374 PolarHBondContact O-N 2.86Å; K371-L375 WeakPolarHBondContact O-CB 3.31Å; K371-L375 WeakPolarHBondContact O-CG 3.31Å; K371-L375 PolarHBondContact O-N 3.43Å
372	A	76.3	Confident	69.5	Low	35 Å²	35	67.1 Å²	67.1	29%	0.289	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-43.5	177	0	0	0	0	0	111.8	D368 L369 Q370 L375 I376	D368-A372 PolarHBondContact O-N 3.46Å; L369-A372 PolarHBondContact O-N 3.39Å; Q370-A372 VanDerWaalsContact C-N 3.34Å; Q370-A372 PolarHBondContact O-N 2.81Å; A372-L375 PolarHBondContact O-N 3.22Å; A372-I376 WeakPolarHBondContact O-CG1 3.33Å; A372-I376 PolarHBondContact O-N 2.94Å
373	I	74.2	Confident	68.4	Low	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-45.2	176.5	-61.7	162.6	0	0	0	110.9	L332 I351 L354 N355 L369 Q370 K371 L375 I376 C377	L332-I373 HydrophobicContact CD1-CG2 3.88Å; L332-I373 HydrophobicContact CD2-CB 3.88Å; L332-I373 HydrophobicContact CD2-CD1 3.78Å; L332-I373 HydrophobicContact CD2-CG1 4.39Å; L332-I373 HydrophobicContact CD2-CG2 3.27Å; L332-I373 HydrophobicContact CG-CG2 3.88Å; I351-I373 HydrophobicContact CG2-CB 4.4Å; I351-I373 HydrophobicContact CG2-CG1 4.18Å; I351-I373 HydrophobicContact CG2-CG2 3.42Å; I351-I373 VanDerWaalsContact CG2-CG2 3.42Å; L354-I373 HydrophobicContact CB-CD1 4.03Å; L354-I373 HydrophobicContact CB-CG1 3.71Å; L354-I373 HydrophobicContact CD1-CG1 4.19Å; N355-I373 HydrophobicContact CB-CD1 4.17Å; L369-I373 VanDerWaalsContact O-CG1 3.24Å; L369-I373 WeakPolarHBondContact O-CG1 3.46Å; L369-I373 PolarHBondContact O-N 3.25Å; Q370-I373 PolarHBondContact O-N 3.44Å; K371-I373 VanDerWaalsContact C-N 3.34Å; K371-I373 PolarHBondContact O-N 2.8Å; I373-L375 VanDerWaalsContact C-N 3.3Å; I373-L375 PolarHBondContact O-N 3.02Å; I373-I376 PolarHBondContact O-N 3.34Å; I373-C377 PolarHBondContact O-N 3.01Å; I373-C377 PolarHBondContact O-SG 2.74Å
374	N	66.3	Low	67.7	Low	76 Å²	76	63.3 Å²	63.3	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-41.3	178	-69.7	2	0	0	0	111.5	Q370 K371 C377 S378	Q370-N374 PolarHBondContact NE2-OD1 3.37Å; Q370-N374 VanDerWaalsContact O-CG 3.25Å; Q370-N374 PolarHBondContact O-N 3.38Å; Q370-N374 PolarHBondContact O-OD1 3.2Å; K371-N374 PolarHBondContact O-N 2.86Å; N374-C377 PolarHBondContact O-N 3.19Å; N374-S378 VanDerWaalsContact O-CB 3.31Å; N374-S378 WeakPolarHBondContact O-CB 3.37Å; N374-S378 PolarHBondContact O-N 3.24Å; N374-S378 PolarHBondContact O-OG 3.29Å
375	L	72.8	Confident	66.1	Low	128 Å²	128	65.1 Å²	65.1	67%	0.67	35%	0.353	S	S	*	.	H	α-helix	trans	-62.4	-42.2	175.6	-76.2	169.4	0	0	0	112.1	K371 A372 I373 S378 S379	K371-L375 WeakPolarHBondContact O-CB 3.31Å; K371-L375 WeakPolarHBondContact O-CG 3.31Å; K371-L375 PolarHBondContact O-N 3.43Å; A372-L375 PolarHBondContact O-N 3.22Å; I373-L375 VanDerWaalsContact C-N 3.3Å; I373-L375 PolarHBondContact O-N 3.02Å; L375-S378 PolarHBondContact O-N 3.07Å; L375-S379 WeakPolarHBondContact O-CB 3.3Å; L375-S379 PolarHBondContact O-N 2.82Å
376	I	69.8	Low	64.5	Low	33 Å²	33	62.4 Å²	62.4	17%	0.169	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-48	175.5	-65.3	165.4	0	0	0	109.9	M347 V350 I351 L354 A372 I373 S378 S379 F382	M347-I376 HydrophobicContact SD-CG2 4.22Å; V350-I376 HydrophobicContact CG1-CD1 4.18Å; I351-I376 HydrophobicContact CD1-CG2 3.71Å; I351-I376 HydrophobicContact CG1-CB 4.46Å; I351-I376 HydrophobicContact CG1-CD1 4.49Å; I351-I376 HydrophobicContact CG1-CG2 3.84Å; L354-I376 HydrophobicContact CD1-CD1 3.38Å; A372-I376 WeakPolarHBondContact O-CG1 3.33Å; A372-I376 PolarHBondContact O-N 2.94Å; I373-I376 PolarHBondContact O-N 3.34Å; I376-S378 PolarHBondContact O-N 3.22Å; I376-S379 WeakPolarHBondContact O-CB 3.43Å; I376-S379 PolarHBondContact O-N 2.84Å; I376-S379 PolarHBondContact O-OG 3.17Å; I376-F382 HydrophobicContact CG2-CD2 4.14Å; I376-F382 WeakPolarHBondContact O-CB 3.45Å
377	C	61.4	Low	63.2	Low	12 Å²	12	64 Å²	64	8%	0.081	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-28.6	-179.5	-63.3	0	0	0	0	113.1	I373 N374 F382	I373-C377 PolarHBondContact O-N 3.01Å; I373-C377 PolarHBondContact O-SG 2.74Å; N374-C377 PolarHBondContact O-N 3.19Å; C377-F382 WeakPolarHBondContact O-CD1 3.28Å
378	S	56.7	Low	61.8	Low	88 Å²	88	62.4 Å²	62.4	62%	0.615	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.4	177.8	-46.5	0	0	0	0	113	N374 L375 I376	N374-S378 VanDerWaalsContact O-CB 3.31Å; N374-S378 WeakPolarHBondContact O-CB 3.37Å; N374-S378 PolarHBondContact O-N 3.24Å; N374-S378 PolarHBondContact O-OG 3.29Å; L375-S378 PolarHBondContact O-N 3.07Å; I376-S378 PolarHBondContact O-N 3.22Å
379	S	65.2	Low	59.7	Low	35 Å²	35	60.3 Å²	60.3	25%	0.245	33%	0.325	C	S	.	.	S	Bend	trans	-71	140.7	-179	72.2	0	0	0	0	110.5	L375 I376 V381 F382 V383	L375-S379 WeakPolarHBondContact O-CB 3.3Å; L375-S379 PolarHBondContact O-N 2.82Å; I376-S379 WeakPolarHBondContact O-CB 3.43Å; I376-S379 PolarHBondContact O-N 2.84Å; I376-S379 PolarHBondContact O-OG 3.17Å; S379-V381 PolarHBondContact O-N 2.65Å; S379-V381 VanDerWaalsContact O-N 3.12Å; S379-F382 PolarHBondContact O-N 3.38Å; S379-F382 WeakPolarHBondContact OG-CB 3.41Å; S379-F382 PolarHBondContact OG-N 3.04Å; S379-V383 WeakPolarHBondContact O-CG2 3.36Å; S379-V383 PolarHBondContact O-N 3.07Å
380	N	57.7	Low	58	Low	127 Å²	127	60.5 Å²	60.5	68%	0.679	33%	0.326	S	S	*	.	H	α-helix	trans	-52.9	-36.3	175	-66.2	-17.2	0	0	0	111.5	F382 V383 D384	N380-F382 PolarHBondContact O-N 2.71Å; N380-V383 PolarHBondContact O-N 3.02Å; N380-D384 WeakPolarHBondContact O-CB 3.2Å; N380-D384 PolarHBondContact O-N 3.23Å
381	V	59	Low	56.3	Low	70 Å²	70	62.5 Å²	62.5	42%	0.424	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-43.6	177.8	-176.9	0	0	0	0	112	M347 S379 Q385	M347-V381 HydrophobicContact CE-CG1 4.38Å; S379-V381 PolarHBondContact O-N 2.65Å; S379-V381 VanDerWaalsContact O-N 3.12Å; V381-Q385 HydrophobicContact CG1-CG 4.36Å; V381-Q385 WeakPolarHBondContact O-CB 3.23Å; V381-Q385 WeakPolarHBondContact O-CG 3.49Å; V381-Q385 PolarHBondContact O-N 3.49Å
382	F	55.3	Low	54.6	Low	1 Å²	1	64.8 Å²	64.8	0%	0.004	35%	0.35	C	S	.	.	H	α-helix	trans	-71.8	-42.1	178	-171.2	-91.9	0	0	0	111.8	L336 M347 I351 I376 C377 S379 N380 D384 I386 M387	L336-F382 HydrophobicContact CD2-CE2 4.33Å; L336-F382 HydrophobicContact CD2-CZ 3.73Å; M347-F382 HydrophobicContact CB-CD2 4.32Å; I351-F382 HydrophobicContact CD1-CD2 3.86Å; I351-F382 HydrophobicContact CD1-CE2 3.26Å; I351-F382 HydrophobicContact CD1-CZ 3.87Å; I376-F382 HydrophobicContact CG2-CD2 4.14Å; I376-F382 WeakPolarHBondContact O-CB 3.45Å; C377-F382 WeakPolarHBondContact O-CD1 3.28Å; S379-F382 PolarHBondContact O-N 3.38Å; S379-F382 WeakPolarHBondContact OG-CB 3.41Å; S379-F382 PolarHBondContact OG-N 3.04Å; N380-F382 PolarHBondContact O-N 2.71Å; F382-D384 VanDerWaalsContact C-N 3.33Å; F382-D384 PolarHBondContact O-N 2.75Å; F382-I386 HydrophobicContact CD2-CB 4.4Å; F382-I386 HydrophobicContact CD2-CD1 3.97Å; F382-I386 HydrophobicContact CD2-CG1 4.34Å; F382-I386 HydrophobicContact CE1-CG2 4.45Å; F382-I386 HydrophobicContact CE2-CB 4.27Å; F382-I386 HydrophobicContact CE2-CD1 3.75Å; F382-I386 HydrophobicContact CE2-CG1 4.37Å; F382-I386 HydrophobicContact CE2-CG2 4.23Å; F382-I386 HydrophobicContact CZ-CB 4.36Å; F382-I386 HydrophobicContact CZ-CG2 4.02Å; F382-I386 WeakPolarHBondContact O-CA 3.49Å; F382-I386 WeakPolarHBondContact O-CB 3.27Å; F382-I386 PolarHBondContact O-N 3.44Å; F382-M387 PolarHBondContact O-N 2.84Å
383	V	52	Low	53.3	Low	46 Å²	46	65 Å²	65	28%	0.279	35%	0.347	S	S	.	.	I	π-helix	trans	-61.3	-43.5	175.2	175.7	0	0	0	0	110.6	S379 N380 M387 K388	S379-V383 WeakPolarHBondContact O-CG2 3.36Å; S379-V383 PolarHBondContact O-N 3.07Å; N380-V383 PolarHBondContact O-N 3.02Å; V383-M387 WeakPolarHBondContact O-CB 3.24Å; V383-M387 PolarHBondContact O-N 3.28Å; V383-K388 WeakPolarHBondContact O-CG 3.28Å; V383-K388 PolarHBondContact O-N 2.86Å
384	D	47.2	Very low	52.4	Low	68 Å²	68	73 Å²	73	36%	0.364	39%	0.391	S	S	.	.	I	π-helix	trans	-79.6	-33.7	-175.7	-69.7	-30.4	0	0	0	114.3	N380 F382 K388 P389	N380-D384 WeakPolarHBondContact O-CB 3.2Å; N380-D384 PolarHBondContact O-N 3.23Å; F382-D384 VanDerWaalsContact C-N 3.33Å; F382-D384 PolarHBondContact O-N 2.75Å; D384-K388 WeakPolarHBondContact OD1-CD 3.29Å; D384-K388 WeakPolarHBondContact OD1-CE 3.42Å; D384-K388 IonicContact OD1-NZ 3.52Å; D384-K388 PolarHBondContact OD1-NZ 3.14Å; D384-P389 WeakPolarHBondContact O-CD 3.27Å
385	Q	47.4	Very low	52.7	Low	128 Å²	128	71 Å²	71	60%	0.598	38%	0.38	S	S	*	.	I	π-helix	trans	-97.5	-16.7	-176.9	-63.8	-173.1	0.3	0	0	114.3	V381 P389	V381-Q385 HydrophobicContact CG1-CG 4.36Å; V381-Q385 WeakPolarHBondContact O-CB 3.23Å; V381-Q385 WeakPolarHBondContact O-CG 3.49Å; V381-Q385 PolarHBondContact O-N 3.49Å; Q385-P389 VanDerWaalsContact C-CD 3.49Å; Q385-P389 VanDerWaalsContact O-CG 3.3Å; Q385-P389 WeakPolarHBondContact O-CG 3.34Å
386	I	45.6	Very low	53.1	Low	12 Å²	12	68.5 Å²	68.5	6%	0.062	37%	0.371	C	S	.	.	I	π-helix	trans	-125.3	-50.2	-174.6	-56.8	-156.6	0	0	0	111.7	R339 C340 S345 M347 C348 F382	R339-I386 WeakPolarHBondContact O-CG2 3.42Å; C340-I386 HydrophobicContact CB-CG2 4.05Å; C340-I386 VanDerWaalsContact SG-CG2 3.6Å; S345-I386 WeakPolarHBondContact OG-CD1 3.38Å; M347-I386 HydrophobicContact CB-CD1 3.88Å; C348-I386 WeakPolarHBondContact SG-CD1 3.38Å; F382-I386 HydrophobicContact CD2-CB 4.4Å; F382-I386 HydrophobicContact CD2-CD1 3.97Å; F382-I386 HydrophobicContact CD2-CG1 4.34Å; F382-I386 HydrophobicContact CE1-CG2 4.45Å; F382-I386 HydrophobicContact CE2-CB 4.27Å; F382-I386 HydrophobicContact CE2-CD1 3.75Å; F382-I386 HydrophobicContact CE2-CG1 4.37Å; F382-I386 HydrophobicContact CE2-CG2 4.23Å; F382-I386 HydrophobicContact CZ-CB 4.36Å; F382-I386 HydrophobicContact CZ-CG2 4.02Å; F382-I386 WeakPolarHBondContact O-CA 3.49Å; F382-I386 WeakPolarHBondContact O-CB 3.27Å; F382-I386 PolarHBondContact O-N 3.44Å
387	M	42.8	Very low	53.7	Low	50 Å²	50	67.7 Å²	67.7	25%	0.246	37%	0.367	C	S	.	.	I	π-helix	trans	-72.3	-48.8	176.7	-72	-168.3	70.7	0	0	112.7	R339 F382 V383 L390 S391	R339-M387 VanDerWaalsContact CZ-CE 3.47Å; R339-M387 VanDerWaalsContact CZ-SD 3.58Å; R339-M387 PolarHBondContact NH1-SD 3.12Å; F382-M387 PolarHBondContact O-N 2.84Å; V383-M387 WeakPolarHBondContact O-CB 3.24Å; V383-M387 PolarHBondContact O-N 3.28Å; M387-L390 WeakPolarHBondContact O-CB 3.22Å; M387-L390 PolarHBondContact O-N 3.37Å; M387-S391 PolarHBondContact O-N 3.07Å; M387-S391 PolarHBondContact O-OG 2.82Å
388	K	40.7	Very low	54.5	Low	107 Å²	107	67.7 Å²	67.7	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-37.1	-179.5	-77.8	-173.6	-175.4	164.6	0	113.1	V383 D384 L390 S391 R392	V383-K388 WeakPolarHBondContact O-CG 3.28Å; V383-K388 PolarHBondContact O-N 2.86Å; D384-K388 WeakPolarHBondContact OD1-CD 3.29Å; D384-K388 WeakPolarHBondContact OD1-CE 3.42Å; D384-K388 IonicContact OD1-NZ 3.52Å; D384-K388 PolarHBondContact OD1-NZ 3.14Å; K388-L390 VanDerWaalsContact C-N 3.33Å; K388-L390 PolarHBondContact O-N 3.26Å; K388-S391 CarbonylContact O-C 3.28Å; K388-S391 VanDerWaalsContact O-C 3.28Å; K388-S391 WeakPolarHBondContact O-CA 3.36Å; K388-S391 WeakPolarHBondContact O-CB 3.49Å; K388-S391 PolarHBondContact O-N 2.94Å; K388-S391 VanDerWaalsContact O-N 3.08Å; K388-R392 WeakPolarHBondContact O-CG 3.49Å; K388-R392 PolarHBondContact O-N 2.94Å
389	P	35.7	Very low	55.5	Low	52 Å²	52	64.7 Å²	64.7	34%	0.338	35%	0.347	S	S	.	.	H	α-helix	trans	-67.8	-24.2	175.8	-29.1	41.4	0	0	0	115.5	D384 Q385 S391 R392	D384-P389 WeakPolarHBondContact O-CD 3.27Å; Q385-P389 VanDerWaalsContact C-CD 3.49Å; Q385-P389 VanDerWaalsContact O-CG 3.3Å; Q385-P389 WeakPolarHBondContact O-CG 3.34Å; P389-S391 VanDerWaalsContact C-N 3.34Å; P389-R392 WeakPolarHBondContact O-CB 3.36Å; P389-R392 PolarHBondContact O-N 3.04Å; P389-R392 VanDerWaalsContact O-N 3.16Å
390	L	43.7	Very low	56.3	Low	34 Å²	34	63.7 Å²	63.7	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-69.6	-33.9	166.5	-87	147.3	0	0	0	112	R339 P341 M387 K388 R392	R339-L390 HydrophobicContact CB-CD1 4.33Å; R339-L390 WeakPolarHBondContact O-CD1 3.42Å; P341-L390 HydrophobicContact CG-CD2 4.08Å; M387-L390 WeakPolarHBondContact O-CB 3.22Å; M387-L390 PolarHBondContact O-N 3.37Å; K388-L390 VanDerWaalsContact C-N 3.33Å; K388-L390 PolarHBondContact O-N 3.26Å; L390-R392 VanDerWaalsContact C-N 3.25Å
391	S	40.4	Very low	57.5	Low	79 Å²	79	57.9 Å²	57.9	55%	0.552	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.5	168.1	-38.8	0	0	0	0	113.3	M387 K388 P389 T393	M387-S391 PolarHBondContact O-N 3.07Å; M387-S391 PolarHBondContact O-OG 2.82Å; K388-S391 CarbonylContact O-C 3.28Å; K388-S391 VanDerWaalsContact O-C 3.28Å; K388-S391 WeakPolarHBondContact O-CA 3.36Å; K388-S391 WeakPolarHBondContact O-CB 3.49Å; K388-S391 PolarHBondContact O-N 2.94Å; K388-S391 VanDerWaalsContact O-N 3.08Å; P389-S391 VanDerWaalsContact C-N 3.34Å; S391-T393 PolarHBondContact O-N 3.46Å
392	R	37.1	Very low	58.4	Low	179 Å²	179	55.6 Å²	55.6	68%	0.675	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	30.8	171.2	-69	179.2	-175.7	-176.4	0.5	111.1	K388 P389 L390 N394	K388-R392 WeakPolarHBondContact O-CG 3.49Å; K388-R392 PolarHBondContact O-N 2.94Å; P389-R392 WeakPolarHBondContact O-CB 3.36Å; P389-R392 PolarHBondContact O-N 3.04Å; P389-R392 VanDerWaalsContact O-N 3.16Å; L390-R392 VanDerWaalsContact C-N 3.25Å; R392-N394 PolarHBondContact O-N 3.47Å; R392-N394 VanDerWaalsContact O-N 3.12Å
393	T	49	Very low	59.2	Low	40 Å²	40	60.3 Å²	60.3	25%	0.245	32%	0.315	C	S	.	.			trans	-59.1	118.2	149.2	61.8	0	0	0	0	105.1	S391 D395 T398 I402	S391-T393 PolarHBondContact O-N 3.46Å; T393-D395 PolarHBondContact O-N 2.98Å; T393-D395 PolarHBondContact OG1-O 2.97Å; T393-T398 HydrophobicContact CG2-CG2 3.75Å; T393-I402 HydrophobicContact CG2-CD1 4.42Å
394	N	54.7	Low	60.5	Low	169 Å²	169	58.1 Å²	58.1	90%	0.904	30%	0.302	S	S	*	.	S	Bend	trans	-60.6	-12.3	174.5	-78.1	-14.7	0	0	0	111.6	R392 P396	R392-N394 PolarHBondContact O-N 3.47Å; R392-N394 VanDerWaalsContact O-N 3.12Å; N394-P396 WeakPolarHBondContact O-CD 3.44Å
395	D	72.4	Confident	62.2	Low	34 Å²	34	56.3 Å²	56.3	18%	0.182	29%	0.292	C	S	.	.			trans	-88.6	111.6	173.2	177.3	39.2	0	0	0	111.5	T393 I397 T398 A399 S766	T393-D395 PolarHBondContact O-N 2.98Å; T393-D395 PolarHBondContact OG1-O 2.97Å; D395-I397 VanDerWaalsContact C-N 3.26Å; D395-I397 PolarHBondContact O-N 3.42Å; D395-I397 PolarHBondContact OD1-N 2.94Å; D395-T398 PolarHBondContact O-N 3.42Å; D395-T398 WeakPolarHBondContact OD2-CB 3.48Å; D395-T398 PolarHBondContact OD2-N 3.48Å; D395-T398 PolarHBondContact OD2-OG1 2.98Å; D395-A399 PolarHBondContact O-N 3.25Å; D395-S766 WeakPolarHBondContact OD2-CB 3.26Å; D395-S766 PolarHBondContact OD2-OG 2.97Å
396	P	80.2	Confident	63.3	Low	75 Å²	75	51 Å²	51	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-31.3	177.5	-23.6	35.3	0	0	0	113.6	N394 A399 D400 N752	N394-P396 WeakPolarHBondContact O-CD 3.44Å; P396-A399 WeakPolarHBondContact O-CB 3.5Å; P396-A399 PolarHBondContact O-N 3.24Å; P396-D400 PolarHBondContact O-N 3.09Å; P396-N752 PolarHBondContact O-ND2 2.82Å
397	I	83.2	Confident	64	Low	15 Å²	15	52.8 Å²	52.8	8%	0.077	28%	0.279	C	S	.	.	H	α-helix	trans	-70.5	-38.2	-178.5	-68.3	164.3	0	0	0	111	D395 A399 D400 L401 N752 F753 Q762	D395-I397 VanDerWaalsContact C-N 3.26Å; D395-I397 PolarHBondContact O-N 3.42Å; D395-I397 PolarHBondContact OD1-N 2.94Å; I397-A399 VanDerWaalsContact C-N 3.29Å; I397-A399 PolarHBondContact O-N 3.44Å; I397-D400 PolarHBondContact O-N 3.21Å; I397-L401 HydrophobicContact CG2-CD1 4.28Å; I397-L401 WeakPolarHBondContact O-CG 3.31Å; I397-L401 PolarHBondContact O-N 3.41Å; I397-N752 HydrophobicContact CG1-CB 3.68Å; I397-F753 HydrophobicContact CG2-CE2 4.18Å; I397-F753 HydrophobicContact CG2-CZ 4.31Å; I397-Q762 HydrophobicContact CD1-CB 3.83Å; I397-Q762 HydrophobicContact CD1-CG 3.49Å; I397-Q762 VanDerWaalsContact CD1-CG 3.49Å
398	T	79.3	Confident	64.4	Low	13 Å²	13	52.1 Å²	52.1	8%	0.08	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-40.3	171.8	-56	0	0	0	0	111.1	T393 D395 D400 L401 I402 S766 F770	T393-T398 HydrophobicContact CG2-CG2 3.75Å; D395-T398 PolarHBondContact O-N 3.42Å; D395-T398 WeakPolarHBondContact OD2-CB 3.48Å; D395-T398 PolarHBondContact OD2-N 3.48Å; D395-T398 PolarHBondContact OD2-OG1 2.98Å; T398-D400 PolarHBondContact O-N 3.07Å; T398-L401 PolarHBondContact O-N 2.99Å; T398-I402 HydrophobicContact CG2-CD1 3.91Å; T398-I402 HydrophobicContact CG2-CG1 4.42Å; T398-I402 VanDerWaalsContact O-CG1 3.26Å; T398-I402 WeakPolarHBondContact O-CG1 3.42Å; T398-I402 PolarHBondContact O-N 2.88Å; T398-S766 VanDerWaalsContact OG1-CB 3.26Å; T398-S766 WeakPolarHBondContact OG1-CB 3.45Å; T398-S766 PolarHBondContact OG1-OG 3.42Å; T398-F770 HydrophobicContact CG2-CB 4.28Å; T398-F770 HydrophobicContact CG2-CD2 3.96Å; T398-F770 HydrophobicContact CG2-CG 4.1Å
399	A	75.9	Confident	64.2	Low	25 Å²	25	48.6 Å²	48.6	21%	0.207	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-44.5	177.8	0	0	0	0	0	111.5	D395 P396 I397 I402 E403	D395-A399 PolarHBondContact O-N 3.25Å; P396-A399 WeakPolarHBondContact O-CB 3.5Å; P396-A399 PolarHBondContact O-N 3.24Å; I397-A399 VanDerWaalsContact C-N 3.29Å; I397-A399 PolarHBondContact O-N 3.44Å; A399-I402 PolarHBondContact O-N 2.9Å; A399-E403 WeakPolarHBondContact O-CB 3.1Å; A399-E403 PolarHBondContact O-N 2.77Å
400	D	82.1	Confident	63.9	Low	14 Å²	14	52.6 Å²	52.6	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-41.9	175.6	-70.7	9.6	0	0	0	112.7	P396 I397 T398 I402 E403 G404 M750 P751 N752 F753	P396-D400 PolarHBondContact O-N 3.09Å; I397-D400 PolarHBondContact O-N 3.21Å; T398-D400 PolarHBondContact O-N 3.07Å; D400-I402 VanDerWaalsContact C-N 3.32Å; D400-I402 PolarHBondContact O-N 2.92Å; D400-E403 PolarHBondContact O-N 2.84Å; D400-G404 PolarHBondContact O-N 3.43Å; D400-M750 HydrophobicContact CB-CB 4.35Å; D400-P751 WeakPolarHBondContact OD2-CD 3.3Å; D400-N752 VanDerWaalsContact CG-ND2 3.28Å; D400-N752 PolarHBondContact OD1-ND2 2.84Å; D400-N752 WeakPolarHBondContact OD2-CA 3.47Å; D400-N752 WeakPolarHBondContact OD2-CB 3.43Å; D400-N752 VanDerWaalsContact OD2-CG 3.3Å; D400-N752 PolarHBondContact OD2-N 2.68Å; D400-N752 PolarHBondContact OD2-ND2 2.79Å; D400-F753 HydrophobicContact CB-CE2 4.45Å
401	L	84.4	Confident	63.2	Low	5 Å²	5	58.5 Å²	58.5	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-41.4	175.7	-77.8	169.5	0	0	0	111.4	I397 T398 L405 M750 F753 F767 F771	I397-L401 HydrophobicContact CG2-CD1 4.28Å; I397-L401 WeakPolarHBondContact O-CG 3.31Å; I397-L401 PolarHBondContact O-N 3.41Å; T398-L401 PolarHBondContact O-N 2.99Å; L401-L405 HydrophobicContact CD2-CD1 3.99Å; L401-L405 WeakPolarHBondContact O-CB 3.27Å; L401-L405 WeakPolarHBondContact O-CG 3.18Å; L401-L405 PolarHBondContact O-N 3.32Å; L401-M750 HydrophobicContact CD2-CE 3.91Å; L401-F753 HydrophobicContact CD2-CE2 3.99Å; L401-F753 HydrophobicContact CD2-CZ 3.62Å; L401-F753 HydrophobicContact CG-CE2 4.02Å; L401-F753 HydrophobicContact CG-CZ 3.95Å; L401-F767 HydrophobicContact CD1-CB 4.03Å; L401-F767 HydrophobicContact CD2-CD2 4.38Å; L401-F771 HydrophobicContact CB-CE2 4.4Å
402	I	77.4	Confident	62.4	Low	22 Å²	22	59.6 Å²	59.6	11%	0.113	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-45.3	174.4	-69	166.1	0	0	0	110	T393 T398 A399 D400 I406 T407 F770	T393-I402 HydrophobicContact CG2-CD1 4.42Å; T398-I402 HydrophobicContact CG2-CD1 3.91Å; T398-I402 HydrophobicContact CG2-CG1 4.42Å; T398-I402 VanDerWaalsContact O-CG1 3.26Å; T398-I402 WeakPolarHBondContact O-CG1 3.42Å; T398-I402 PolarHBondContact O-N 2.88Å; A399-I402 PolarHBondContact O-N 2.9Å; D400-I402 VanDerWaalsContact C-N 3.32Å; D400-I402 PolarHBondContact O-N 2.92Å; I402-I406 HydrophobicContact CG1-CD1 4.43Å; I402-I406 HydrophobicContact CG2-CB 4.44Å; I402-I406 HydrophobicContact CG2-CD1 4.25Å; I402-I406 WeakPolarHBondContact O-CA 3.2Å; I402-I406 VanDerWaalsContact O-CB 3.24Å; I402-I406 WeakPolarHBondContact O-CB 3.45Å; I402-I406 PolarHBondContact O-N 3.06Å; I402-T407 PolarHBondContact O-N 2.96Å; I402-F770 HydrophobicContact CD1-CD1 4.37Å; I402-F770 HydrophobicContact CD1-CD2 4.36Å; I402-F770 HydrophobicContact CD1-CE1 3.72Å; I402-F770 HydrophobicContact CD1-CE2 3.73Å; I402-F770 HydrophobicContact CD1-CZ 3.37Å; I402-F770 HydrophobicContact CG1-CD1 4Å; I402-F770 HydrophobicContact CG1-CE1 3.43Å; I402-F770 VanDerWaalsContact CG1-CE1 3.43Å; I402-F770 HydrophobicContact CG1-CE2 4.37Å; I402-F770 HydrophobicContact CG1-CZ 3.66Å
403	E	72.4	Confident	62.1	Low	99 Å²	99	59.5 Å²	59.5	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-45.9	-176.9	-176.2	156.4	-168	0	0	111.5	A399 D400 T407	A399-E403 WeakPolarHBondContact O-CB 3.1Å; A399-E403 PolarHBondContact O-N 2.77Å; D400-E403 PolarHBondContact O-N 2.84Å; E403-T407 WeakPolarHBondContact CA-OG1 3.38Å; E403-T407 PolarHBondContact O-N 3.26Å; E403-T407 PolarHBondContact O-OG1 3.44Å
404	G	78.7	Confident	60.9	Low	1 Å²	1	65.7 Å²	65.7	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-76.3	-22.6	-178.1	0	0	0	0	0	116.2	D400 P565	D400-G404 PolarHBondContact O-N 3.43Å; G404-P565 WeakPolarHBondContact O-CG 3.49Å
405	L	82.2	Confident	59.7	Low	29 Å²	29	63.3 Å²	63.3	15%	0.152	36%	0.357	C	S	.	.	H	α-helix	trans	-109.3	-28.5	-177.9	-54.7	172.8	0	0	0	113.5	L401 M629 Y734 F767 F771	L401-L405 HydrophobicContact CD2-CD1 3.99Å; L401-L405 WeakPolarHBondContact O-CB 3.27Å; L401-L405 WeakPolarHBondContact O-CG 3.18Å; L401-L405 PolarHBondContact O-N 3.32Å; L405-M629 HydrophobicContact CB-CB 3.94Å; L405-M629 HydrophobicContact CB-CG 4.25Å; L405-M629 HydrophobicContact CD1-CE 4.36Å; L405-M629 VanDerWaalsContact O-CB 3.29Å; L405-M629 WeakPolarHBondContact O-CB 3.27Å; L405-Y734 WeakPolarHBondContact CD2-OH 3.48Å; L405-F767 HydrophobicContact CD1-CD2 4.42Å; L405-F767 HydrophobicContact CD1-CE2 4.08Å; L405-F771 HydrophobicContact CD1-CE2 4.04Å; L405-F771 HydrophobicContact CD1-CZ 4.22Å
406	I	71.7	Confident	57.5	Low	16 Å²	16	69.4 Å²	69.4	8%	0.082	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-40.7	-171.6	-49.5	-175.7	0	0	0	112.6	I402 G408 V630 F633 F770 F771	I402-I406 HydrophobicContact CG1-CD1 4.43Å; I402-I406 HydrophobicContact CG2-CB 4.44Å; I402-I406 HydrophobicContact CG2-CD1 4.25Å; I402-I406 WeakPolarHBondContact O-CA 3.2Å; I402-I406 VanDerWaalsContact O-CB 3.24Å; I402-I406 WeakPolarHBondContact O-CB 3.45Å; I402-I406 PolarHBondContact O-N 3.06Å; I406-G408 PolarHBondContact O-N 2.62Å; I406-G408 VanDerWaalsContact O-N 3.1Å; I406-V630 WeakPolarHBondContact O-CG2 3.49Å; I406-F633 HydrophobicContact CD1-CD2 4.46Å; I406-F633 HydrophobicContact CD1-CE2 3.74Å; I406-F770 HydrophobicContact CD1-CE1 3.97Å; I406-F771 HydrophobicContact CD1-CE1 3.61Å; I406-F771 HydrophobicContact CD1-CZ 3.77Å; I406-F771 HydrophobicContact CG1-CE1 4.05Å; I406-F771 HydrophobicContact CG1-CZ 4.03Å
407	T	59.7	Low	55	Low	50 Å²	50	73.2 Å²	73.2	31%	0.307	40%	0.401	S	S	.	.			trans	-84.7	93.6	-179	54	0	0	0	0	110.5	I402 E403 S409	I402-T407 PolarHBondContact O-N 2.96Å; E403-T407 WeakPolarHBondContact CA-OG1 3.38Å; E403-T407 PolarHBondContact O-N 3.26Å; E403-T407 PolarHBondContact O-OG1 3.44Å; T407-S409 PolarHBondContact O-N 3.31Å
408	G	50.9	Low	52.4	Low	37 Å²	37	80 Å²	80	38%	0.381	44%	0.437	S	S	.	.			trans	-53.5	123.3	154.4	0	0	0	0	0	107.7	I406 N410	I406-G408 PolarHBondContact O-N 2.62Å; I406-G408 VanDerWaalsContact O-N 3.1Å; G408-N410 PolarHBondContact O-N 3.05Å
409	S	36.7	Very low	50	Low	33 Å²	33	87.4 Å²	87.4	23%	0.231	48%	0.475	C	S	.	.			trans	-65.7	68.2	-174.8	46.3	0	0	0	0	111.8	T407 L411 V568	T407-S409 PolarHBondContact O-N 3.31Å; S409-L411 PolarHBondContact O-N 3.19Å; S409-V568 WeakPolarHBondContact OG-CG1 3.3Å
410	N	30.8	Very low	47.7	Very low	136 Å²	136	96 Å²	96	73%	0.727	51%	0.508	S	S	*	.			trans	-82.9	37.4	166.2	-79.8	-46.3	0	0	0	110.6	G408 A412	G408-N410 PolarHBondContact O-N 3.05Å; N410-A412 PolarHBondContact O-N 3.07Å; N410-A412 VanDerWaalsContact O-N 3.07Å
411	L	27.8	Very low	45.2	Very low	157 Å²	157	101.5 Å²	101.5	82%	0.822	54%	0.536	S	S	*	.			trans	-69.1	103.5	159.5	-87.9	162	0	0	0	106	S409 R413	S409-L411 PolarHBondContact O-N 3.19Å; L411-R413 PolarHBondContact O-N 3.22Å
412	A	24.2	Very low	42.6	Very low	103 Å²	103	113.3 Å²	113.3	85%	0.851	58%	0.58	S	S	*	*			trans	-27.6	108.2	177	0	0	0	0	0	112.7	N410	N410-A412 PolarHBondContact O-N 3.07Å; N410-A412 VanDerWaalsContact O-N 3.07Å
413	R	30.8	Very low	40.4	Very low	176 Å²	176	117.3 Å²	117.3	66%	0.664	61%	0.611	S	S	*	*			trans	-98	115.9	171.5	-136.5	179.9	-172.5	169.3	5.9	109	L411 N571	L411-R413 PolarHBondContact O-N 3.22Å; R413-N571 PolarHBondContact NH1-OD1 3.34Å
414	E	23.1	Very low	38.5	Very low	170 Å²	170	118.7 Å²	118.7	79%	0.794	62%	0.62	S	S	*	*			trans	-66.4	137	155	-80.3	-70.9	151.8	0	0	108.6	E416	E414-E416 PolarHBondContact O-N 2.79Å
415	P	30.1	Very low	36.3	Very low	119 Å²	119	123.9 Å²	123.9	77%	0.773	66%	0.663	S	S	*	*			trans	-83.2	84.5	-166.2	32.6	-34.1	0	0	0	112.1
416	E	25.9	Very low	33.7	Very low	162 Å²	162	132 Å²	132	76%	0.757	70%	0.697	S	S	*	*			trans	-118.5	133.4	162.9	-69.8	-160.3	160.6	0	0	111.5	E414	E414-E416 PolarHBondContact O-N 2.79Å
417	N	26.9	Very low	31.6	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	73%	0.729	S	S	*	*			trans	106.6	34.1	169.7	-53.9	-51.8	0	0	0	119.9	L419	N417-L419 PolarHBondContact O-N 2.7Å
418	L	29.3	Very low	30.2	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	76%	0.759	S	S	*	*			trans	-90.7	33.4	173.4	-137.4	113.1	0	0	0	115.6
419	L	28.8	Very low	29.1	Very low	169 Å²	169	150 Å²	150	89%	0.885	78%	0.782	S	S	*	*			trans	-112.5	18.1	-176.9	-77.5	178.5	0	0	0	116.4	N417	N417-L419 PolarHBondContact O-N 2.7Å
420	K	28.3	Very low	28.9	Very low	206 Å²	206	151.9 Å²	151.9	90%	0.896	81%	0.805	S	S	*	*			trans	-122.7	56.2	172.3	-72.1	-176	179.1	174.7	0	113
421	L	28.7	Very low	28.8	Very low	129 Å²	129	151.2 Å²	151.2	68%	0.675	81%	0.812	S	S	*	*			trans	-129.6	80.1	169.8	-88.7	162.4	0	0	0	110.1
422	R	31	Very low	28.8	Very low	252 Å²	252	152 Å²	152	95%	0.951	81%	0.811	S	S	*	*	S	Bend	trans	-134.2	-2.9	162.8	-167.9	165.9	171.8	162.6	-0.7	114.5
423	S	31.5	Very low	28.9	Very low	107 Å²	107	154.6 Å²	154.6	75%	0.748	81%	0.811	S	S	*	*	S	Bend	trans	-116.6	-6.1	-174.5	65.5	0	0	0	0	117.4
424	L	31.3	Very low	28.9	Very low	127 Å²	127	150.3 Å²	150.3	67%	0.665	81%	0.813	S	S	*	*	G	3₁₀ helix	trans	-86.6	-10.6	-172.1	-134.8	82	0	0	0	115.9	K426	L424-K426 PolarHBondContact O-N 3.08Å
425	A	31.9	Very low	29	Very low	110 Å²	110	148.3 Å²	148.3	91%	0.909	82%	0.818	S	S	*	*	G	3₁₀ helix	trans	-73.5	9.1	-176.8	0	0	0	0	0	115.3
426	K	28.1	Very low	28.9	Very low	200 Å²	200	148.2 Å²	148.2	87%	0.87	82%	0.815	S	S	*	*	G	3₁₀ helix	trans	-105.9	-0.9	-179.2	-83.6	-172.4	176.4	-177	0	115.6	L424	L424-K426 PolarHBondContact O-N 3.08Å
427	S	27.9	Very low	29	Very low	107 Å²	107	146.7 Å²	146.7	75%	0.748	82%	0.817	S	S	*	*			trans	-105.3	5	-172.3	-153.8	0	0	0	0	116.9	K429	S427-K429 PolarHBondContact O-N 2.96Å
428	L	30.7	Very low	29.5	Very low	179 Å²	179	143 Å²	143	94%	0.937	80%	0.796	S	S	*	*			trans	-99.4	74.8	172.5	-67.5	168.6	0	0	0	109.6
429	K	28.5	Very low	29.7	Very low	196 Å²	196	139.8 Å²	139.8	85%	0.852	79%	0.788	S	S	*	*			trans	-93.4	115.2	159.6	-83.4	-171.4	174.6	-173.1	0	107.4	S427	S427-K429 PolarHBondContact O-N 2.96Å
430	G	31.2	Very low	30.6	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	78%	0.777	S	S	*	*			trans	-60.4	145.6	176.8	0	0	0	0	0	112.3	E432	G430-E432 PolarHBondContact O-N 3.22Å
431	S	29.8	Very low	31.8	Very low	123 Å²	123	131.5 Å²	131.5	86%	0.86	76%	0.758	S	S	*	*			trans	-73.7	91.2	162.7	177.4	0	0	0	0	108.3
432	E	26.3	Very low	33.5	Very low	174 Å²	174	135 Å²	135	81%	0.813	77%	0.767	S	S	*	*			trans	-81.4	110.6	158.7	-72.3	-177.8	168.9	0	0	107.1	G430	G430-E432 PolarHBondContact O-N 3.22Å
433	N	26.4	Very low	35.8	Very low	157 Å²	157	124.4 Å²	124.4	84%	0.84	73%	0.73	S	S	*	*			trans	169.4	107	150.4	-84	-24.4	0	0	0	110
434	A	31.1	Very low	38.4	Very low	86 Å²	86	121.6 Å²	121.6	71%	0.711	71%	0.71	S	S	*	*			trans	167.7	84.6	137.6	0	0	0	0	0	110.8	T436	A434-T436 PolarHBondContact O-N 3.2Å
435	S	24.9	Very low	41.1	Very low	128 Å²	128	121 Å²	121	90%	0.895	71%	0.714	S	S	*	*			trans	-78.3	89.2	157.7	170.7	0	0	0	0	107.9
436	T	29	Very low	43.9	Very low	117 Å²	117	121.8 Å²	121.8	72%	0.718	70%	0.698	S	S	*	*			trans	-94.8	127.2	172.2	-44.7	0	0	0	0	109.6	A434 L438	A434-T436 PolarHBondContact O-N 3.2Å; T436-L438 PolarHBondContact O-N 3.05Å; T436-L438 VanDerWaalsContact O-N 3.11Å
437	T	28.3	Very low	46.9	Very low	129 Å²	129	113.4 Å²	113.4	79%	0.791	66%	0.663	S	S	*	*			trans	-57.7	108.8	-177.7	-44.7	0	0	0	0	111.4	S439	T437-S439 PolarHBondContact O-N 2.99Å
438	L	36.7	Very low	50	Low	77 Å²	77	112.1 Å²	112.1	40%	0.403	65%	0.645	S	S	.	*			trans	-80.8	71.2	-173.3	-154.6	75.9	0	0	0	111.8	T436 Q495 V498	T436-L438 PolarHBondContact O-N 3.05Å; T436-L438 VanDerWaalsContact O-N 3.11Å; L438-Q495 HydrophobicContact CD2-CB 4.44Å; L438-Q495 WeakPolarHBondContact CD2-O 3.22Å; L438-V498 HydrophobicContact CD1-CG1 3.84Å; L438-V498 HydrophobicContact CD2-CB 4.13Å; L438-V498 HydrophobicContact CD2-CG1 4.23Å; L438-V498 HydrophobicContact CG-CG1 4.2Å
439	S	33.5	Very low	52.9	Low	92 Å²	92	106.6 Å²	106.6	64%	0.643	63%	0.625	S	S	*	*			trans	-75.9	141.6	166.2	61	0	0	0	0	110	T437 L441	T437-S439 PolarHBondContact O-N 2.99Å; S439-L441 PolarHBondContact O-N 3.26Å
440	T	47.4	Very low	56	Low	106 Å²	106	98.2 Å²	98.2	65%	0.65	59%	0.591	S	S	*	*			trans	-29.4	106	175.1	-18	0	0	0	0	111.2	K442	T440-K442 VanDerWaalsContact C-N 3.27Å; T440-K442 PolarHBondContact O-N 2.71Å
441	L	53.9	Low	59.1	Low	95 Å²	95	94.9 Å²	94.9	50%	0.497	56%	0.556	S	S	.	*			trans	-63.4	90.2	-176.1	-147.7	98	0	0	0	108	S439 N443	S439-L441 PolarHBondContact O-N 3.26Å; L441-N443 VanDerWaalsContact C-N 3.32Å; L441-N443 PolarHBondContact O-N 3.43Å
442	K	64.8	Low	62.1	Low	203 Å²	203	93 Å²	93	88%	0.883	54%	0.544	S	S	*	.			trans	-72.6	100	164.4	-80.3	-172.4	178.3	-178.7	0	105	T440	T440-K442 VanDerWaalsContact C-N 3.27Å; T440-K442 PolarHBondContact O-N 2.71Å
443	N	79.3	Confident	65.3	Low	29 Å²	29	87.5 Å²	87.5	16%	0.155	52%	0.52	C	S	.	.			trans	-47	142.3	169	-74.7	-28.9	0	0	0	109.4	L441 I447 E448	L441-N443 VanDerWaalsContact C-N 3.32Å; L441-N443 PolarHBondContact O-N 3.43Å; N443-I447 HydrophobicContact CB-CB 3.96Å; N443-I447 HydrophobicContact CB-CG2 3.72Å; N443-E448 HydrophobicContact CB-CG 3.75Å; N443-E448 VanDerWaalsContact CB-OE1 3.23Å; N443-E448 WeakPolarHBondContact CB-OE1 3.34Å; N443-E448 PolarHBondContact ND2-OE1 2.93Å
444	S	85.8	Confident	68.6	Low	47 Å²	47	81 Å²	81	33%	0.329	48%	0.484	S	S	.	.			trans	-59.2	154.5	170.2	69.6	0	0	0	0	109.3	E446 I447 E448	S444-E446 PolarHBondContact O-N 3.16Å; S444-E446 VanDerWaalsContact O-N 3.08Å; S444-I447 PolarHBondContact O-N 3.26Å; S444-I447 WeakPolarHBondContact OG-CG1 3.05Å; S444-I447 PolarHBondContact OG-N 2.78Å; S444-I447 VanDerWaalsContact OG-N 3.17Å; S444-E448 PolarHBondContact O-N 2.89Å
445	P	87.3	Confident	71.7	Confident	116 Å²	116	79.2 Å²	79.2	75%	0.753	46%	0.463	S	S	*	.	H	α-helix	trans	-53.3	-30.1	173.9	-26.9	34.9	0	0	0	113.2	A449	P445-A449 VanDerWaalsContact O-CB 3.29Å; P445-A449 WeakPolarHBondContact O-CB 3.09Å; P445-A449 PolarHBondContact O-N 3.19Å
446	E	90.2	Very high	75.2	Confident	125 Å²	125	78 Å²	78	58%	0.584	44%	0.441	S	S	*	.	H	α-helix	trans	-68.6	-44.3	176	-169.7	178.4	-163.4	0	0	112.3	S444 A449 C450 I467	S444-E446 PolarHBondContact O-N 3.16Å; S444-E446 VanDerWaalsContact O-N 3.08Å; E446-A449 PolarHBondContact O-N 3.39Å; E446-C450 WeakPolarHBondContact O-CB 3.49Å; E446-C450 PolarHBondContact O-N 3.44Å; E446-I467 HydrophobicContact CB-CG2 4.45Å; E446-I467 HydrophobicContact CG-CD1 3.86Å; E446-I467 HydrophobicContact CG-CG1 4.09Å; E446-I467 HydrophobicContact CG-CG2 4.02Å
447	I	92.4	Very high	78.5	Confident	24 Å²	24	72.5 Å²	72.5	12%	0.123	41%	0.407	C	S	.	.	H	α-helix	trans	-64.5	-45.2	174.3	-68	169.7	0	0	0	110.4	N443 S444 A449 C450 L451 L464 I467 T468 C475	N443-I447 HydrophobicContact CB-CB 3.96Å; N443-I447 HydrophobicContact CB-CG2 3.72Å; S444-I447 PolarHBondContact O-N 3.26Å; S444-I447 WeakPolarHBondContact OG-CG1 3.05Å; S444-I447 PolarHBondContact OG-N 2.78Å; S444-I447 VanDerWaalsContact OG-N 3.17Å; I447-A449 VanDerWaalsContact C-N 3.33Å; I447-A449 PolarHBondContact O-N 3.25Å; I447-C450 PolarHBondContact O-N 2.94Å; I447-L451 HydrophobicContact CG2-CD1 3.6Å; I447-L451 HydrophobicContact CG2-CG 4.13Å; I447-L451 WeakPolarHBondContact O-CB 3.14Å; I447-L451 VanDerWaalsContact O-CG 3.27Å; I447-L451 WeakPolarHBondContact O-CG 3.16Å; I447-L451 PolarHBondContact O-N 3.21Å; I447-L464 HydrophobicContact CG2-CD1 4.2Å; I447-I467 HydrophobicContact CD1-CG2 4.39Å; I447-I467 HydrophobicContact CG1-CG2 3.56Å; I447-T468 HydrophobicContact CD1-CG2 4.24Å; I447-T468 HydrophobicContact CG1-CG2 4.44Å; I447-C475 HydrophobicContact CG2-CB 4.11Å
448	E	92.5	Very high	81.7	Confident	80 Å²	80	70.3 Å²	70.3	37%	0.374	39%	0.391	S	S	.	.	H	α-helix	trans	-62	-39.7	177.3	-76.4	-60.5	147.2	0	0	112.4	N443 S444 L451 S452	N443-E448 HydrophobicContact CB-CG 3.75Å; N443-E448 VanDerWaalsContact CB-OE1 3.23Å; N443-E448 WeakPolarHBondContact CB-OE1 3.34Å; N443-E448 PolarHBondContact ND2-OE1 2.93Å; S444-E448 PolarHBondContact O-N 2.89Å; E448-L451 PolarHBondContact O-N 2.9Å; E448-S452 PolarHBondContact O-N 2.94Å; E448-S452 VanDerWaalsContact O-N 3.12Å
449	A	92.3	Very high	84.6	Confident	63 Å²	63	66.7 Å²	66.7	52%	0.521	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-45	174.3	0	0	0	0	0	111.1	P445 E446 I447 L451 S452	P445-A449 VanDerWaalsContact O-CB 3.29Å; P445-A449 WeakPolarHBondContact O-CB 3.09Å; P445-A449 PolarHBondContact O-N 3.19Å; E446-A449 PolarHBondContact O-N 3.39Å; I447-A449 VanDerWaalsContact C-N 3.33Å; I447-A449 PolarHBondContact O-N 3.25Å; A449-L451 VanDerWaalsContact C-N 3.33Å; A449-L451 PolarHBondContact O-N 3.21Å; A449-S452 WeakPolarHBondContact O-CB 3Å; A449-S452 PolarHBondContact O-N 3.5Å; A449-S452 PolarHBondContact O-OG 3.39Å
450	C	92.6	Very high	87.7	Confident	21 Å²	21	64.3 Å²	64.3	14%	0.142	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-35.9	177	-167.6	0	0	0	0	112.5	E446 I447 S452 N453 F459 L464 I467	E446-C450 WeakPolarHBondContact O-CB 3.49Å; E446-C450 PolarHBondContact O-N 3.44Å; I447-C450 PolarHBondContact O-N 2.94Å; C450-S452 VanDerWaalsContact C-N 3.3Å; C450-S452 PolarHBondContact O-N 3.18Å; C450-N453 PolarHBondContact O-OD1 3.24Å; C450-F459 WeakPolarHBondContact O-CE2 3.29Å; C450-L464 HydrophobicContact CB-CD1 4.32Å; C450-I467 HydrophobicContact CB-CD1 4Å
451	L	96	Very high	90.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-80.7	-6.8	179.6	-69.8	174.8	0	0	0	113.7	I447 E448 A449 N453 F454 L464 C475 L476 K479	I447-L451 HydrophobicContact CG2-CD1 3.6Å; I447-L451 HydrophobicContact CG2-CG 4.13Å; I447-L451 WeakPolarHBondContact O-CB 3.14Å; I447-L451 VanDerWaalsContact O-CG 3.27Å; I447-L451 WeakPolarHBondContact O-CG 3.16Å; I447-L451 PolarHBondContact O-N 3.21Å; E448-L451 PolarHBondContact O-N 2.9Å; A449-L451 VanDerWaalsContact C-N 3.33Å; A449-L451 PolarHBondContact O-N 3.21Å; L451-N453 PolarHBondContact O-N 3.17Å; L451-F454 WeakPolarHBondContact O-CD1 3.46Å; L451-F454 PolarHBondContact O-N 2.94Å; L451-L464 HydrophobicContact CD2-CD1 4.3Å; L451-L464 HydrophobicContact CD2-CD2 3.71Å; L451-L464 HydrophobicContact CG-CD1 4.4Å; L451-C475 HydrophobicContact CD1-CB 4.33Å; L451-L476 HydrophobicContact CD2-CB 4.24Å; L451-L476 HydrophobicContact CD2-CD1 3.71Å; L451-K479 HydrophobicContact CB-CG 4.35Å; L451-K479 HydrophobicContact CD1-CB 4.24Å; L451-K479 HydrophobicContact CD2-CB 4.49Å
452	S	93.8	Very high	92.2	Very high	85 Å²	85	55.5 Å²	55.5	59%	0.594	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.4	-172.9	67.8	0	0	0	0	114.3	E448 A449 C450	E448-S452 PolarHBondContact O-N 2.94Å; E448-S452 VanDerWaalsContact O-N 3.12Å; A449-S452 WeakPolarHBondContact O-CB 3Å; A449-S452 PolarHBondContact O-N 3.5Å; A449-S452 PolarHBondContact O-OG 3.39Å; C450-S452 VanDerWaalsContact C-N 3.3Å; C450-S452 PolarHBondContact O-N 3.18Å
453	N	93.2	Very high	93.8	Very high	57 Å²	57	49.1 Å²	49.1	31%	0.305	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	23.6	-179.1	66.7	-24	0	0	0	113.1	C450 L451 D455 K456	C450-N453 PolarHBondContact O-OD1 3.24Å; L451-N453 PolarHBondContact O-N 3.17Å; N453-D455 PolarHBondContact O-N 3.23Å; N453-K456 HydrophobicContact CB-CG 4.15Å; N453-K456 WeakPolarHBondContact O-CB 3.34Å; N453-K456 PolarHBondContact O-N 3.43Å
454	F	96.5	Very high	94.7	Very high	21 Å²	21	47.8 Å²	47.8	9%	0.092	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.2	179.5	84.2	-87.8	0	0	0	113.6	L451 K456 F459 L476 K479 I480 Q525	L451-F454 WeakPolarHBondContact O-CD1 3.46Å; L451-F454 PolarHBondContact O-N 2.94Å; F454-K456 VanDerWaalsContact C-N 3.29Å; F454-F459 HydrophobicContact CB-CD2 4.34Å; F454-F459 HydrophobicContact CB-CE2 4.33Å; F454-L476 HydrophobicContact CB-CD1 4.26Å; F454-K479 HydrophobicContact CD1-CD 4.46Å; F454-K479 HydrophobicContact CD1-CG 3.8Å; F454-K479 HydrophobicContact CE1-CD 4.43Å; F454-K479 HydrophobicContact CE1-CG 4.03Å; F454-K479 HydrophobicContact CG-CG 4.27Å; F454-I480 HydrophobicContact CD2-CD1 4.11Å; F454-I480 HydrophobicContact CD2-CG1 3.49Å; F454-I480 VanDerWaalsContact CD2-CG1 3.49Å; F454-I480 HydrophobicContact CE2-CG1 3.82Å; F454-I480 HydrophobicContact CG-CG1 4.3Å; F454-Q525 WeakPolarHBondContact O-CG 3.28Å; F454-Q525 PolarHBondContact O-NE2 3.25Å
455	D	95.8	Very high	95.3	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.262	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.7	177.9	67.3	-53.8	0	0	0	113.3	N453	N453-D455 PolarHBondContact O-N 3.23Å
456	K	97.5	Very high	95.8	Very high	102 Å²	102	49.7 Å²	49.7	44%	0.443	26%	0.255	S	S	.	.	S	Bend	trans	-98	148.2	179.3	-54.7	-55.2	-178.4	-138.8	0	111.9	N453 F454 D458 F459 Q525	N453-K456 HydrophobicContact CB-CG 4.15Å; N453-K456 WeakPolarHBondContact O-CB 3.34Å; N453-K456 PolarHBondContact O-N 3.43Å; F454-K456 VanDerWaalsContact C-N 3.29Å; K456-D458 VanDerWaalsContact C-N 3.27Å; K456-D458 WeakPolarHBondContact CB-OD1 3.3Å; K456-D458 PolarHBondContact O-N 3.04Å; K456-F459 WeakPolarHBondContact O-CB 3.28Å; K456-F459 PolarHBondContact O-N 3.49Å; K456-Q525 PolarHBondContact O-NE2 2.91Å
457	W	98.1	Very high	96	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-23.6	-179.7	-167.3	-104.9	0	0	0	113.2	F459 A526 Y529 F530 N714 T717 R718 L788	W457-F459 PolarHBondContact O-N 3.41Å; W457-A526 HydrophobicContact CH2-CB 3.83Å; W457-A526 HydrophobicContact CZ3-CB 3.95Å; W457-Y529 HydrophobicContact CB-CD2 4.27Å; W457-Y529 HydrophobicContact CB-CE2 3.77Å; W457-Y529 HydrophobicContact CD2-CD1 4.4Å; W457-Y529 HydrophobicContact CD2-CE1 4.38Å; W457-Y529 AromaticContact CE3-CD1 3.3Å; W457-Y529 HydrophobicContact CE3-CD1 3.3Å; W457-Y529 AromaticContact CE3-CD2 3.9Å; W457-Y529 HydrophobicContact CE3-CD2 3.9Å; W457-Y529 AromaticContact CE3-CE1 3.65Å; W457-Y529 HydrophobicContact CE3-CE1 3.65Å; W457-Y529 HydrophobicContact CE3-CE2 4.18Å; W457-Y529 AromaticContact CE3-CG 3.43Å; W457-Y529 HydrophobicContact CE3-CG 3.43Å; W457-Y529 VanDerWaalsContact CE3-CG 3.43Å; W457-Y529 AromaticContact CZ3-CD1 3.54Å; W457-Y529 HydrophobicContact CZ3-CD1 3.54Å; W457-Y529 HydrophobicContact CZ3-CE1 4.17Å; W457-Y529 AromaticContact CZ3-CG 3.87Å; W457-Y529 HydrophobicContact CZ3-CG 3.87Å; W457-F530 HydrophobicContact CH2-CE1 4.33Å; W457-F530 AromaticContact CH2-CE2 3.88Å; W457-F530 HydrophobicContact CH2-CE2 3.88Å; W457-F530 AromaticContact CH2-CZ 3.59Å; W457-F530 HydrophobicContact CH2-CZ 3.59Å; W457-F530 HydrophobicContact CZ3-CE1 4.31Å; W457-F530 HydrophobicContact CZ3-CE2 4.13Å; W457-F530 AromaticContact CZ3-CZ 3.92Å; W457-F530 HydrophobicContact CZ3-CZ 3.92Å; W457-N714 HydrophobicContact CH2-CB 4.2Å; W457-N714 HydrophobicContact CZ2-CB 4.1Å; W457-T717 VanDerWaalsContact CZ2-OG1 3.3Å; W457-T717 WeakPolarHBondContact CZ2-OG1 3.46Å; W457-T717 PolarHBondContact NE1-O 2.91Å; W457-R718 PolarHBondContact O-NH1 3.38Å; W457-L788 HydrophobicContact CB-CD1 4.3Å; W457-L788 HydrophobicContact CD2-CD1 3.52Å; W457-L788 HydrophobicContact CD2-CD2 4.09Å; W457-L788 HydrophobicContact CD2-CG 3.77Å; W457-L788 HydrophobicContact CE3-CD1 4.05Å; W457-L788 HydrophobicContact CE3-CD2 4.24Å; W457-L788 HydrophobicContact CE3-CG 4.37Å; W457-L788 HydrophobicContact CG-CD1 3.59Å; W457-L788 HydrophobicContact CG-CG 4.15Å; W457-L788 HydrophobicContact CH2-CD2 3.6Å; W457-L788 HydrophobicContact CH2-CG 4.25Å; W457-L788 HydrophobicContact CZ2-CD1 4.34Å; W457-L788 HydrophobicContact CZ2-CD2 3.45Å; W457-L788 VanDerWaalsContact CZ2-CD2 3.45Å; W457-L788 HydrophobicContact CZ2-CG 3.66Å; W457-L788 HydrophobicContact CZ3-CD2 4Å
458	D	96.5	Very high	96.2	Very high	84 Å²	84	46.2 Å²	46.2	45%	0.449	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8.7	176	68	-14.9	0	0	0	113.8	K456 N460 P719	K456-D458 VanDerWaalsContact C-N 3.27Å; K456-D458 WeakPolarHBondContact CB-OD1 3.3Å; K456-D458 PolarHBondContact O-N 3.04Å; D458-N460 PolarHBondContact O-N 3.36Å; D458-P719 HydrophobicContact CB-CG 3.93Å
459	F	98.1	Very high	96.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.			trans	-52	122.7	172.7	176.7	-98.6	0	0	0	111.2	C450 F454 K456 W457 I461 L464 L476 Q525	C450-F459 WeakPolarHBondContact O-CE2 3.29Å; F454-F459 HydrophobicContact CB-CD2 4.34Å; F454-F459 HydrophobicContact CB-CE2 4.33Å; K456-F459 WeakPolarHBondContact O-CB 3.28Å; K456-F459 PolarHBondContact O-N 3.49Å; W457-F459 PolarHBondContact O-N 3.41Å; F459-I461 HydrophobicContact CE1-CB 4.23Å; F459-I461 HydrophobicContact CE1-CD1 3.91Å; F459-I461 PolarHBondContact O-N 3.34Å; F459-L464 HydrophobicContact CZ-CD2 4.14Å; F459-L476 HydrophobicContact CE1-CD1 4.23Å; F459-L476 HydrophobicContact CE1-CD2 4.11Å; F459-L476 HydrophobicContact CZ-CD1 3.95Å; F459-L476 HydrophobicContact CZ-CD2 4.45Å; F459-Q525 HydrophobicContact CB-CG 4.29Å; F459-Q525 HydrophobicContact CD1-CB 4.28Å; F459-Q525 HydrophobicContact CD1-CG 3.67Å; F459-Q525 HydrophobicContact CE1-CG 4.25Å; F459-Q525 HydrophobicContact CG-CG 4.08Å
460	N	97.8	Very high	96.6	Very high	43 Å²	43	50.6 Å²	50.6	23%	0.23	25%	0.253	C	S	.	.			trans	-96.4	95.5	-176.7	-173.5	5	0	0	0	111.3	D458 F462 D463 I722	D458-N460 PolarHBondContact O-N 3.36Å; N460-F462 PolarHBondContact O-N 3.15Å; N460-F462 WeakPolarHBondContact OD1-CB 3.19Å; N460-F462 WeakPolarHBondContact OD1-CD2 3.36Å; N460-F462 PolarHBondContact OD1-N 3.35Å; N460-D463 PolarHBondContact ND2-OD1 3.23Å; N460-D463 PolarHBondContact ND2-OD2 2.83Å; N460-D463 PolarHBondContact O-N 2.88Å; N460-I722 HydrophobicContact CB-CD1 4.16Å
461	I	98.3	Very high	96.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-27.8	178.5	-169.4	63.2	0	0	0	113.3	F459 D463 L464 E465 P472 L476 T518 D522 W726	F459-I461 HydrophobicContact CE1-CB 4.23Å; F459-I461 HydrophobicContact CE1-CD1 3.91Å; F459-I461 PolarHBondContact O-N 3.34Å; I461-D463 VanDerWaalsContact C-N 3.34Å; I461-D463 PolarHBondContact O-N 3.13Å; I461-L464 PolarHBondContact O-N 3.23Å; I461-E465 PolarHBondContact O-N 2.73Å; I461-P472 HydrophobicContact CD1-CB 4.12Å; I461-P472 HydrophobicContact CD1-CG 4.39Å; I461-L476 HydrophobicContact CD1-CD2 3.59Å; I461-T518 HydrophobicContact CG1-CG2 3.73Å; I461-T518 WeakPolarHBondContact CG1-O 3.11Å; I461-T518 HydrophobicContact CG2-CG2 4.19Å; I461-D522 HydrophobicContact CB-CB 4.41Å; I461-D522 HydrophobicContact CG1-CB 4.34Å; I461-D522 HydrophobicContact CG2-CB 4.12Å; I461-W726 HydrophobicContact CG2-CZ2 3.99Å
462	F	98.4	Very high	97	Very high	16 Å²	16	54.2 Å²	54.2	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-73.7	-24.7	-178.8	-55.5	-60	0	0	0	113.4	N460 E465 R466 T518 I722 E725 W726	N460-F462 PolarHBondContact O-N 3.15Å; N460-F462 WeakPolarHBondContact OD1-CB 3.19Å; N460-F462 WeakPolarHBondContact OD1-CD2 3.36Å; N460-F462 PolarHBondContact OD1-N 3.35Å; F462-E465 WeakPolarHBondContact CD1-OE2 3.4Å; F462-R466 WeakPolarHBondContact O-CB 3.49Å; F462-R466 PolarHBondContact O-N 2.59Å; F462-T518 HydrophobicContact CD1-CG2 4.11Å; F462-T518 HydrophobicContact CE1-CG2 4.22Å; F462-I722 HydrophobicContact CD2-CG1 4.43Å; F462-I722 HydrophobicContact CE2-CB 4.27Å; F462-I722 HydrophobicContact CE2-CG1 4.42Å; F462-I722 HydrophobicContact CE2-CG2 3.83Å; F462-E725 HydrophobicContact CD1-CG 4.15Å; F462-E725 HydrophobicContact CD2-CB 4.28Å; F462-E725 HydrophobicContact CD2-CG 3.94Å; F462-E725 HydrophobicContact CE1-CG 3.69Å; F462-E725 HydrophobicContact CE2-CB 3.59Å; F462-E725 HydrophobicContact CE2-CG 3.44Å; F462-E725 VanDerWaalsContact CE2-CG 3.44Å; F462-E725 HydrophobicContact CG-CG 4.26Å; F462-E725 HydrophobicContact CZ-CB 3.81Å; F462-E725 HydrophobicContact CZ-CG 3.29Å; F462-W726 HydrophobicContact CE1-CD2 4.2Å; F462-W726 AromaticContact CE1-CE2 3.84Å; F462-W726 HydrophobicContact CE1-CE3 4.44Å; F462-W726 AromaticContact CE1-CH2 3.93Å; F462-W726 HydrophobicContact CE1-CH2 3.93Å; F462-W726 AromaticContact CE1-CZ2 3.69Å; F462-W726 HydrophobicContact CE1-CZ2 3.69Å; F462-W726 HydrophobicContact CE1-CZ3 4.32Å; F462-W726 AromaticContact CZ-CD1 3.87Å; F462-W726 AromaticContact CZ-CD2 3.62Å; F462-W726 HydrophobicContact CZ-CD2 3.62Å; F462-W726 AromaticContact CZ-CE2 3.36Å; F462-W726 HydrophobicContact CZ-CE3 4.22Å; F462-W726 AromaticContact CZ-CG 3.92Å; F462-W726 HydrophobicContact CZ-CG 3.92Å; F462-W726 HydrophobicContact CZ-CH2 4.29Å; F462-W726 AromaticContact CZ-CZ2 3.73Å; F462-W726 HydrophobicContact CZ-CZ2 3.73Å; F462-W726 AromaticContact CZ-NE1 3.58Å
463	D	97.6	Very high	97.2	Very high	69 Å²	69	50.1 Å²	50.1	37%	0.369	24%	0.238	S	C	.	.	H	α-helix	trans	-69.2	-42.7	171.9	-68.7	-26.5	0	0	0	109.7	N460 I461 R466 I467	N460-D463 PolarHBondContact ND2-OD1 3.23Å; N460-D463 PolarHBondContact ND2-OD2 2.83Å; N460-D463 PolarHBondContact O-N 2.88Å; I461-D463 VanDerWaalsContact C-N 3.34Å; I461-D463 PolarHBondContact O-N 3.13Å; D463-R466 WeakPolarHBondContact O-CB 3.41Å; D463-R466 PolarHBondContact O-N 2.71Å; D463-I467 WeakPolarHBondContact O-CD1 3.07Å; D463-I467 VanDerWaalsContact O-CG1 3.28Å; D463-I467 WeakPolarHBondContact O-CG1 3.3Å; D463-I467 PolarHBondContact O-N 2.94Å; D463-I467 VanDerWaalsContact O-N 3.08Å
464	L	97.7	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-41.6	175	-169.1	62.8	0	0	0	111.9	I447 C450 L451 F459 I461 R466 I467 T468 P472 L476	I447-L464 HydrophobicContact CG2-CD1 4.2Å; C450-L464 HydrophobicContact CB-CD1 4.32Å; L451-L464 HydrophobicContact CD2-CD1 4.3Å; L451-L464 HydrophobicContact CD2-CD2 3.71Å; L451-L464 HydrophobicContact CG-CD1 4.4Å; F459-L464 HydrophobicContact CZ-CD2 4.14Å; I461-L464 PolarHBondContact O-N 3.23Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 3.18Å; L464-I467 PolarHBondContact O-N 3.14Å; L464-T468 HydrophobicContact CD1-CG2 3.95Å; L464-T468 HydrophobicContact CG-CG2 4.19Å; L464-T468 WeakPolarHBondContact O-CB 3.3Å; L464-T468 VanDerWaalsContact O-CG2 3.28Å; L464-T468 WeakPolarHBondContact O-CG2 3.28Å; L464-T468 PolarHBondContact O-N 3.04Å; L464-T468 PolarHBondContact O-OG1 2.9Å; L464-P472 HydrophobicContact CB-CB 4.16Å; L464-P472 HydrophobicContact CD2-CB 3.82Å; L464-P472 HydrophobicContact CG-CB 3.73Å; L464-L476 HydrophobicContact CD2-CB 3.82Å; L464-L476 HydrophobicContact CD2-CD2 4.42Å; L464-L476 HydrophobicContact CD2-CG 4.5Å
465	E	98.1	Very high	97.5	Very high	19 Å²	19	47 Å²	47	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-53.8	-45.6	173	-179.1	-175	-134.9	0	0	111.5	I461 F462 T468 N469 K470 P472 T518 R729	I461-E465 PolarHBondContact O-N 2.73Å; F462-E465 WeakPolarHBondContact CD1-OE2 3.4Å; E465-T468 PolarHBondContact O-OG1 3.01Å; E465-N469 PolarHBondContact O-N 2.9Å; E465-K470 HydrophobicContact CG-CG 4.28Å; E465-K470 PolarHBondContact O-N 3.42Å; E465-P472 HydrophobicContact CB-CG 4.47Å; E465-T518 HydrophobicContact CB-CG2 3.98Å; E465-T518 VanDerWaalsContact CD-OG1 3.27Å; E465-T518 HydrophobicContact CG-CG2 4.14Å; E465-T518 WeakPolarHBondContact CG-OG1 3.1Å; E465-T518 PolarHBondContact OE1-OG1 3.19Å; E465-R729 IonicContact OE1-CZ 3.28Å; E465-R729 IonicContact OE1-NH1 3.09Å; E465-R729 PolarHBondContact OE1-NH1 2.76Å; E465-R729 IonicContact OE1-NH2 3.52Å; E465-R729 IonicContact OE2-CZ 2.7Å; E465-R729 IonicContact OE2-NH1 2.61Å; E465-R729 PolarHBondContact OE2-NH1 3.46Å; E465-R729 IonicContact OE2-NH2 3.36Å; E465-R729 PolarHBondContact OE2-NH2 2.71Å
466	R	97.4	Very high	97.6	Very high	184 Å²	184	44.7 Å²	44.7	69%	0.694	21%	0.211	S	C	*	.	H	α-helix	trans	-63.8	-49.3	179.7	-172.7	-167.5	-46.6	-75.9	-7.7	111.8	F462 D463 L464 T468 N469	F462-R466 WeakPolarHBondContact O-CB 3.49Å; F462-R466 PolarHBondContact O-N 2.59Å; D463-R466 WeakPolarHBondContact O-CB 3.41Å; D463-R466 PolarHBondContact O-N 2.71Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 3.18Å; R466-T468 VanDerWaalsContact C-N 3.28Å; R466-T468 PolarHBondContact O-N 3.42Å; R466-N469 PolarHBondContact O-N 2.8Å
467	I	96.3	Very high	97.7	Very high	50 Å²	50	39.9 Å²	39.9	26%	0.256	19%	0.19	S	C	.	.	H	α-helix	trans	-66.4	-34.1	-177.1	-63	158.2	0	0	0	111	E446 I447 C450 D463 L464	E446-I467 HydrophobicContact CB-CG2 4.45Å; E446-I467 HydrophobicContact CG-CD1 3.86Å; E446-I467 HydrophobicContact CG-CG1 4.09Å; E446-I467 HydrophobicContact CG-CG2 4.02Å; I447-I467 HydrophobicContact CD1-CG2 4.39Å; I447-I467 HydrophobicContact CG1-CG2 3.56Å; C450-I467 HydrophobicContact CB-CD1 4Å; D463-I467 WeakPolarHBondContact O-CD1 3.07Å; D463-I467 VanDerWaalsContact O-CG1 3.28Å; D463-I467 WeakPolarHBondContact O-CG1 3.3Å; D463-I467 PolarHBondContact O-N 2.94Å; D463-I467 VanDerWaalsContact O-N 3.08Å; L464-I467 PolarHBondContact O-N 3.14Å
468	T	96.2	Very high	97.6	Very high	26 Å²	26	41.7 Å²	41.7	16%	0.16	20%	0.199	C	C	.	.	H	α-helix	trans	-92.6	0.5	-178.4	60.9	0	0	0	0	114	I447 L464 E465 R466 K471 P472	I447-T468 HydrophobicContact CD1-CG2 4.24Å; I447-T468 HydrophobicContact CG1-CG2 4.44Å; L464-T468 HydrophobicContact CD1-CG2 3.95Å; L464-T468 HydrophobicContact CG-CG2 4.19Å; L464-T468 WeakPolarHBondContact O-CB 3.3Å; L464-T468 VanDerWaalsContact O-CG2 3.28Å; L464-T468 WeakPolarHBondContact O-CG2 3.28Å; L464-T468 PolarHBondContact O-N 3.04Å; L464-T468 PolarHBondContact O-OG1 2.9Å; E465-T468 PolarHBondContact O-OG1 3.01Å; R466-T468 VanDerWaalsContact C-N 3.28Å; R466-T468 PolarHBondContact O-N 3.42Å; T468-K471 VanDerWaalsContact CB-O 3.22Å; T468-K471 WeakPolarHBondContact CB-O 3.17Å; T468-K471 PolarHBondContact O-N 3.27Å; T468-K471 PolarHBondContact OG1-N 3.19Å; T468-K471 PolarHBondContact OG1-O 2.93Å; T468-P472 WeakPolarHBondContact OG1-CA 3.49Å; T468-P472 VanDerWaalsContact OG1-N 3.15Å
469	N	96	Very high	97.7	Very high	135 Å²	135	40.9 Å²	40.9	72%	0.722	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	59	-175.9	-171.5	45.9	0	0	0	112.7	E465 R466 K471	E465-N469 PolarHBondContact O-N 2.9Å; R466-N469 PolarHBondContact O-N 2.8Å; N469-K471 VanDerWaalsContact C-N 3.3Å; N469-K471 PolarHBondContact O-N 3.02Å
470	K	97.5	Very high	97.7	Very high	101 Å²	101	40.9 Å²	40.9	44%	0.439	19%	0.191	S	C	.	.	S	Bend	trans	65.9	21.3	-178.3	-55.8	-176.7	168.7	-169.3	0	115.6	E465 P472 V510	E465-K470 HydrophobicContact CG-CG 4.28Å; E465-K470 PolarHBondContact O-N 3.42Å; K470-P472 WeakPolarHBondContact O-CD 3.35Å; K470-V510 HydrophobicContact CB-CG2 3.87Å; K470-V510 HydrophobicContact CD-CG2 3.42Å; K470-V510 VanDerWaalsContact CD-CG2 3.42Å; K470-V510 HydrophobicContact CG-CG2 4.34Å; K470-V510 PolarHBondContact NZ-O 3.47Å
471	K	97.4	Very high	97.7	Very high	96 Å²	96	38.8 Å²	38.8	42%	0.417	18%	0.18	S	C	.	.			trans	-123.2	56.9	175.8	-66.8	-165.8	175.5	-162.7	0	113.3	T468 N469 E505 E506	T468-K471 VanDerWaalsContact CB-O 3.22Å; T468-K471 WeakPolarHBondContact CB-O 3.17Å; T468-K471 PolarHBondContact O-N 3.27Å; T468-K471 PolarHBondContact OG1-N 3.19Å; T468-K471 PolarHBondContact OG1-O 2.93Å; N469-K471 VanDerWaalsContact C-N 3.3Å; N469-K471 PolarHBondContact O-N 3.02Å; K471-E505 WeakPolarHBondContact CA-OE1 3.38Å; K471-E505 HydrophobicContact CB-CG 4.42Å; K471-E505 WeakPolarHBondContact CB-OE2 3.35Å; K471-E505 HydrophobicContact CG-CG 4.41Å; K471-E505 VanDerWaalsContact O-OE1 3.08Å; K471-E506 IonicContact NZ-OE1 3.65Å; K471-E506 PolarHBondContact NZ-OE1 2.71Å
472	P	98	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-80.1	-20.4	-176.8	33.2	-36.4	0	0	0	114	I461 L464 E465 T468 K470 C475 L476 T518	I461-P472 HydrophobicContact CD1-CB 4.12Å; I461-P472 HydrophobicContact CD1-CG 4.39Å; L464-P472 HydrophobicContact CB-CB 4.16Å; L464-P472 HydrophobicContact CD2-CB 3.82Å; L464-P472 HydrophobicContact CG-CB 3.73Å; E465-P472 HydrophobicContact CB-CG 4.47Å; T468-P472 WeakPolarHBondContact OG1-CA 3.49Å; T468-P472 VanDerWaalsContact OG1-N 3.15Å; K470-P472 WeakPolarHBondContact O-CD 3.35Å; P472-C475 PolarHBondContact O-SG 3.35Å; P472-C475 VanDerWaalsContact O-SG 3.35Å; P472-L476 WeakPolarHBondContact O-CB 3.32Å; P472-L476 PolarHBondContact O-N 2.93Å; P472-L476 VanDerWaalsContact O-N 3.11Å; P472-T518 HydrophobicContact CG-CG2 4.4Å
473	L	98.7	Very high	97.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-38.7	-169.7	-178.3	61.9	0	0	0	111.8	G477 I504 E505 Y508 A517 A520 L524 I553	L473-G477 VanDerWaalsContact O-CA 3.27Å; L473-G477 WeakPolarHBondContact O-CA 3.32Å; L473-G477 PolarHBondContact O-N 2.89Å; L473-I504 HydrophobicContact CD2-CG2 4.25Å; L473-E505 WeakPolarHBondContact CA-OE1 3.36Å; L473-E505 HydrophobicContact CB-CB 4.3Å; L473-E505 HydrophobicContact CB-CG 4.2Å; L473-E505 VanDerWaalsContact CB-OE1 3.31Å; L473-E505 WeakPolarHBondContact CB-OE1 3.34Å; L473-E505 HydrophobicContact CD2-CB 4.24Å; L473-E505 PolarHBondContact N-OE1 3.3Å; L473-Y508 HydrophobicContact CD2-CD2 4.15Å; L473-Y508 HydrophobicContact CD2-CE2 3.98Å; L473-A517 HydrophobicContact CB-CB 4.19Å; L473-A517 HydrophobicContact CD2-CB 4.46Å; L473-A520 HydrophobicContact CD1-CB 4.24Å; L473-A520 HydrophobicContact CD2-CB 4.1Å; L473-L524 HydrophobicContact CD1-CD2 4.27Å; L473-I553 HydrophobicContact CD1-CG1 4.19Å; L473-I553 HydrophobicContact CD1-CG2 4.42Å; L473-I553 HydrophobicContact CD2-CG2 4.3Å
474	T	98.4	Very high	97.6	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.049	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-50.8	-178.9	-65	0	0	0	0	112	M478 V498 L501 E505	T474-M478 WeakPolarHBondContact O-CG 3.41Å; T474-M478 PolarHBondContact O-N 3.2Å; T474-V498 HydrophobicContact CG2-CG1 4.32Å; T474-L501 HydrophobicContact CG2-CB 4.19Å; T474-E505 WeakPolarHBondContact CB-OE2 3.23Å; T474-E505 PolarHBondContact N-OE1 3.48Å; T474-E505 VanDerWaalsContact OG1-CD 3.32Å; T474-E505 PolarHBondContact OG1-OE2 3.25Å
475	C	97.3	Very high	97.6	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-72.9	-38.4	-177	61.8	0	0	0	0	112.3	I447 L451 P472 K479	I447-C475 HydrophobicContact CG2-CB 4.11Å; L451-C475 HydrophobicContact CD1-CB 4.33Å; P472-C475 PolarHBondContact O-SG 3.35Å; P472-C475 VanDerWaalsContact O-SG 3.35Å; C475-K479 PolarHBondContact O-N 3.12Å; C475-K479 VanDerWaalsContact O-N 3.12Å
476	L	98.6	Very high	97.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-43.7	173.9	-176.1	59.2	0	0	0	111.7	L451 F454 F459 I461 L464 P472 M478 K479 I480 G521 L524 Q525	L451-L476 HydrophobicContact CD2-CB 4.24Å; L451-L476 HydrophobicContact CD2-CD1 3.71Å; F454-L476 HydrophobicContact CB-CD1 4.26Å; F459-L476 HydrophobicContact CE1-CD1 4.23Å; F459-L476 HydrophobicContact CE1-CD2 4.11Å; F459-L476 HydrophobicContact CZ-CD1 3.95Å; F459-L476 HydrophobicContact CZ-CD2 4.45Å; I461-L476 HydrophobicContact CD1-CD2 3.59Å; L464-L476 HydrophobicContact CD2-CB 3.82Å; L464-L476 HydrophobicContact CD2-CD2 4.42Å; L464-L476 HydrophobicContact CD2-CG 4.5Å; P472-L476 WeakPolarHBondContact O-CB 3.32Å; P472-L476 PolarHBondContact O-N 2.93Å; P472-L476 VanDerWaalsContact O-N 3.11Å; L476-M478 PolarHBondContact O-N 3.23Å; L476-K479 PolarHBondContact O-N 2.75Å; L476-I480 HydrophobicContact CD1-CD1 3.64Å; L476-I480 HydrophobicContact CD1-CG1 4.11Å; L476-I480 HydrophobicContact CG-CD1 3.82Å; L476-I480 WeakPolarHBondContact O-CB 3.46Å; L476-I480 PolarHBondContact O-N 3.15Å; L476-G521 VanDerWaalsContact CD2-O 3.3Å; L476-G521 WeakPolarHBondContact CD2-O 3.32Å; L476-L524 HydrophobicContact CG-CD2 4.41Å; L476-Q525 HydrophobicContact CD2-CB 4.33Å
477	G	98.5	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.3	-48.3	174.6	0	0	0	0	0	112.1	L473 K479 L481	L473-G477 VanDerWaalsContact O-CA 3.27Å; L473-G477 WeakPolarHBondContact O-CA 3.32Å; L473-G477 PolarHBondContact O-N 2.89Å; G477-K479 PolarHBondContact O-N 3.18Å; G477-L481 WeakPolarHBondContact O-CB 3.36Å; G477-L481 VanDerWaalsContact O-CG 3.28Å; G477-L481 WeakPolarHBondContact O-CG 3.15Å; G477-L481 PolarHBondContact O-N 3.38Å
478	M	97.7	Very high	97.7	Very high	39 Å²	39	39.9 Å²	39.9	19%	0.192	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-46.6	175.4	-77.8	-58.2	-61.7	0	0	112.4	T474 L476 D482 L497 V498 L501	T474-M478 WeakPolarHBondContact O-CG 3.41Å; T474-M478 PolarHBondContact O-N 3.2Å; L476-M478 PolarHBondContact O-N 3.23Å; M478-D482 WeakPolarHBondContact O-CB 3.25Å; M478-D482 PolarHBondContact O-N 2.67Å; M478-D482 VanDerWaalsContact O-N 3.11Å; M478-L497 HydrophobicContact CE-CD2 4.49Å; M478-L497 HydrophobicContact SD-CB 4.2Å; M478-L497 HydrophobicContact SD-CD2 3.79Å; M478-L497 HydrophobicContact SD-CG 3.75Å; M478-V498 HydrophobicContact CE-CG2 3.61Å; M478-V498 HydrophobicContact CG-CG2 3.87Å; M478-V498 HydrophobicContact SD-CB 4.3Å; M478-V498 HydrophobicContact SD-CG2 3.37Å; M478-V498 WeakPolarHBondContact SD-CG2 3.38Å; M478-L501 HydrophobicContact CB-CD1 4.48Å; M478-L501 HydrophobicContact CG-CD1 3.71Å; M478-L501 HydrophobicContact SD-CD1 3.76Å
479	K	97.4	Very high	97.8	Very high	67 Å²	67	39.6 Å²	39.6	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-49.1	-179.8	-177.5	66.5	170.6	-165.4	0	112.2	L451 F454 C475 L476 G477 S483	L451-K479 HydrophobicContact CB-CG 4.35Å; L451-K479 HydrophobicContact CD1-CB 4.24Å; L451-K479 HydrophobicContact CD2-CB 4.49Å; F454-K479 HydrophobicContact CD1-CD 4.46Å; F454-K479 HydrophobicContact CD1-CG 3.8Å; F454-K479 HydrophobicContact CE1-CD 4.43Å; F454-K479 HydrophobicContact CE1-CG 4.03Å; F454-K479 HydrophobicContact CG-CG 4.27Å; C475-K479 PolarHBondContact O-N 3.12Å; C475-K479 VanDerWaalsContact O-N 3.12Å; L476-K479 PolarHBondContact O-N 2.75Å; G477-K479 PolarHBondContact O-N 3.18Å; K479-S483 PolarHBondContact O-N 3.01Å
480	I	98.5	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.4	-50.4	-176.5	-73.4	175.3	0	0	0	110.3	F454 L476 D482 S483 F484 L524 Q525 A528 L549	F454-I480 HydrophobicContact CD2-CD1 4.11Å; F454-I480 HydrophobicContact CD2-CG1 3.49Å; F454-I480 VanDerWaalsContact CD2-CG1 3.49Å; F454-I480 HydrophobicContact CE2-CG1 3.82Å; F454-I480 HydrophobicContact CG-CG1 4.3Å; L476-I480 HydrophobicContact CD1-CD1 3.64Å; L476-I480 HydrophobicContact CD1-CG1 4.11Å; L476-I480 HydrophobicContact CG-CD1 3.82Å; L476-I480 WeakPolarHBondContact O-CB 3.46Å; L476-I480 PolarHBondContact O-N 3.15Å; I480-D482 VanDerWaalsContact C-N 3.28Å; I480-D482 PolarHBondContact O-N 2.94Å; I480-S483 WeakPolarHBondContact O-CB 3.46Å; I480-S483 PolarHBondContact O-N 3.12Å; I480-S483 PolarHBondContact O-OG 2.79Å; I480-F484 HydrophobicContact CG2-CD2 4.19Å; I480-F484 HydrophobicContact CG2-CE2 4.36Å; I480-F484 WeakPolarHBondContact O-CD2 3.32Å; I480-F484 PolarHBondContact O-N 3.16Å; I480-F484 VanDerWaalsContact O-N 3.17Å; I480-L524 HydrophobicContact CB-CD2 4.5Å; I480-L524 HydrophobicContact CD1-CD2 4.09Å; I480-L524 HydrophobicContact CD1-CG 3.83Å; I480-L524 HydrophobicContact CG2-CD1 3.97Å; I480-L524 HydrophobicContact CG2-CG 4.36Å; I480-Q525 HydrophobicContact CD1-CB 4.14Å; I480-Q525 HydrophobicContact CD1-CG 4.41Å; I480-A528 HydrophobicContact CD1-CB 4.08Å; I480-A528 HydrophobicContact CG1-CB 4.39Å; I480-A528 HydrophobicContact CG2-CB 3.7Å; I480-L549 HydrophobicContact CG2-CD1 4.06Å; I480-L549 HydrophobicContact CG2-CD2 3.8Å; I480-L549 HydrophobicContact CG2-CG 4.5Å
481	L	98.6	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-33.7	-177.7	-71.4	172.6	0	0	0	112.5	G477 F484 N485 A486 L497 L501 L549 L550 I553	G477-L481 WeakPolarHBondContact O-CB 3.36Å; G477-L481 VanDerWaalsContact O-CG 3.28Å; G477-L481 WeakPolarHBondContact O-CG 3.15Å; G477-L481 PolarHBondContact O-N 3.38Å; L481-F484 CarbonylContact O-C 3.36Å; L481-F484 PolarHBondContact O-N 3.44Å; L481-N485 PolarHBondContact O-N 2.92Å; L481-A486 HydrophobicContact CB-CB 3.77Å; L481-A486 HydrophobicContact CD2-CB 3.91Å; L481-A486 HydrophobicContact CG-CB 4.4Å; L481-A486 WeakPolarHBondContact O-CB 3.36Å; L481-A486 PolarHBondContact O-N 3.47Å; L481-L497 HydrophobicContact CB-CD2 4.03Å; L481-L497 HydrophobicContact CD1-CD1 3.7Å; L481-L497 HydrophobicContact CD1-CD2 4Å; L481-L497 HydrophobicContact CD1-CG 4.32Å; L481-L501 HydrophobicContact CD1-CD1 4.5Å; L481-L501 HydrophobicContact CD1-CD2 4.47Å; L481-L549 HydrophobicContact CD2-CB 3.77Å; L481-L549 HydrophobicContact CD2-CD1 4Å; L481-L550 HydrophobicContact CD1-CD2 4.43Å; L481-I553 HydrophobicContact CD1-CD1 3.82Å; L481-I553 HydrophobicContact CG-CD1 4.33Å
482	D	96.7	Very high	98	Very high	104 Å²	104	29.8 Å²	29.8	56%	0.556	16%	0.157	S	C	*	.	H	α-helix	trans	-63.6	-43.8	171.5	-172	59.8	0	0	0	111.8	M478 I480 F484 N485	M478-D482 WeakPolarHBondContact O-CB 3.25Å; M478-D482 PolarHBondContact O-N 2.67Å; M478-D482 VanDerWaalsContact O-N 3.11Å; I480-D482 VanDerWaalsContact C-N 3.28Å; I480-D482 PolarHBondContact O-N 2.94Å; D482-F484 PolarHBondContact O-N 3.06Å; D482-F484 VanDerWaalsContact O-N 3.17Å; D482-N485 PolarHBondContact O-N 2.95Å
483	S	96.9	Very high	97.9	Very high	55 Å²	55	32.9 Å²	32.9	39%	0.385	18%	0.178	S	C	.	.	H	α-helix	trans	-62.5	-23.8	177.4	78.3	0	0	0	0	114.1	K479 I480	K479-S483 PolarHBondContact O-N 3.01Å; I480-S483 WeakPolarHBondContact O-CB 3.46Å; I480-S483 PolarHBondContact O-N 3.12Å; I480-S483 PolarHBondContact O-OG 2.79Å
484	F	97.9	Very high	97.8	Very high	9 Å²	9	34.6 Å²	34.6	4%	0.039	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	13.3	174	-76.6	-92.2	0	0	0	113.3	I480 L481 D482 A486 A528 L531 Q532 E545 L549	I480-F484 HydrophobicContact CG2-CD2 4.19Å; I480-F484 HydrophobicContact CG2-CE2 4.36Å; I480-F484 WeakPolarHBondContact O-CD2 3.32Å; I480-F484 PolarHBondContact O-N 3.16Å; I480-F484 VanDerWaalsContact O-N 3.17Å; L481-F484 CarbonylContact O-C 3.36Å; L481-F484 PolarHBondContact O-N 3.44Å; D482-F484 PolarHBondContact O-N 3.06Å; D482-F484 VanDerWaalsContact O-N 3.17Å; F484-A486 PolarHBondContact O-N 2.98Å; F484-A528 HydrophobicContact CE2-CB 3.93Å; F484-A528 HydrophobicContact CZ-CB 4.44Å; F484-L531 HydrophobicContact CE1-CB 3.67Å; F484-L531 HydrophobicContact CE1-CD1 4.18Å; F484-L531 HydrophobicContact CZ-CB 3.72Å; F484-L531 HydrophobicContact CZ-CD1 4.34Å; F484-Q532 HydrophobicContact CZ-CG 3.95Å; F484-E545 HydrophobicContact CD1-CB 3.92Å; F484-E545 HydrophobicContact CD1-CG 4.27Å; F484-E545 WeakPolarHBondContact CD1-OE2 3.42Å; F484-E545 HydrophobicContact CE1-CB 4.39Å; F484-E545 HydrophobicContact CE1-CG 4.41Å; F484-L549 HydrophobicContact CB-CD1 3.75Å; F484-L549 HydrophobicContact CD1-CD1 4.19Å; F484-L549 HydrophobicContact CD2-CD1 3.6Å; F484-L549 HydrophobicContact CE2-CD1 4.21Å; F484-L549 HydrophobicContact CG-CD1 3.58Å
485	N	97.1	Very high	97.6	Very high	84 Å²	84	38.4 Å²	38.4	45%	0.449	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	32.7	177.1	-166.4	30.5	0	0	0	113.6	L481 D482 L487 S488 V489	L481-N485 PolarHBondContact O-N 2.92Å; D482-N485 PolarHBondContact O-N 2.95Å; N485-L487 VanDerWaalsContact C-N 3.28Å; N485-L487 PolarHBondContact O-N 2.74Å; N485-S488 VanDerWaalsContact CG-CB 3.47Å; N485-S488 WeakPolarHBondContact ND2-CB 3.24Å; N485-S488 WeakPolarHBondContact O-CB 3.27Å; N485-S488 PolarHBondContact O-N 2.67Å; N485-S488 VanDerWaalsContact O-N 3.13Å; N485-S488 WeakPolarHBondContact OD1-CB 3.37Å; N485-V489 WeakPolarHBondContact O-CG2 3.17Å; N485-V489 PolarHBondContact O-N 3.24Å
486	A	98.4	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-34.8	-173.4	0	0	0	0	0	112.8	L481 F484 S488 V489 L490 V546	L481-A486 HydrophobicContact CB-CB 3.77Å; L481-A486 HydrophobicContact CD2-CB 3.91Å; L481-A486 HydrophobicContact CG-CB 4.4Å; L481-A486 WeakPolarHBondContact O-CB 3.36Å; L481-A486 PolarHBondContact O-N 3.47Å; F484-A486 PolarHBondContact O-N 2.98Å; A486-S488 VanDerWaalsContact C-N 3.28Å; A486-S488 PolarHBondContact O-N 3.44Å; A486-V489 PolarHBondContact O-N 3.22Å; A486-L490 HydrophobicContact CB-CD1 4.43Å; A486-L490 VanDerWaalsContact O-CB 3.28Å; A486-L490 WeakPolarHBondContact O-CB 3.11Å; A486-L490 VanDerWaalsContact O-CG 3.3Å; A486-L490 WeakPolarHBondContact O-CG 3.32Å; A486-L490 PolarHBondContact O-N 2.9Å; A486-V546 HydrophobicContact CB-CG1 4.26Å; A486-V546 HydrophobicContact CB-CG2 3.91Å
487	L	98.1	Very high	97.6	Very high	36 Å²	36	39 Å²	39	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-39.4	177.1	-65	177.6	0	0	0	112.2	N485 R491 I492 L497	N485-L487 VanDerWaalsContact C-N 3.28Å; N485-L487 PolarHBondContact O-N 2.74Å; L487-R491 VanDerWaalsContact O-CA 3.28Å; L487-R491 WeakPolarHBondContact O-CA 3.42Å; L487-R491 PolarHBondContact O-N 3.47Å; L487-I492 HydrophobicContact CD2-CG1 4.03Å; L487-I492 PolarHBondContact O-N 2.75Å; L487-I492 VanDerWaalsContact O-N 3.15Å; L487-L497 HydrophobicContact CD2-CB 3.84Å; L487-L497 HydrophobicContact CD2-CD2 3.68Å; L487-L497 HydrophobicContact CD2-CG 4.41Å; L487-L497 HydrophobicContact CG-CD2 4.35Å
488	S	98	Very high	97.5	Very high	73 Å²	73	39.5 Å²	39.5	51%	0.51	21%	0.212	S	C	.	.	H	α-helix	trans	-71.6	-42.4	176.6	-174.3	0	0	0	0	111.7	N485 A486 R491	N485-S488 VanDerWaalsContact CG-CB 3.47Å; N485-S488 WeakPolarHBondContact ND2-CB 3.24Å; N485-S488 WeakPolarHBondContact O-CB 3.27Å; N485-S488 PolarHBondContact O-N 2.67Å; N485-S488 VanDerWaalsContact O-N 3.13Å; N485-S488 WeakPolarHBondContact OD1-CB 3.37Å; A486-S488 VanDerWaalsContact C-N 3.28Å; A486-S488 PolarHBondContact O-N 3.44Å; S488-R491 WeakPolarHBondContact O-CG 3.42Å; S488-R491 PolarHBondContact O-N 3.03Å
489	V	98	Very high	97.5	Very high	20 Å²	20	38.1 Å²	38.1	12%	0.121	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-44	178	176.8	0	0	0	0	111.5	N485 A486 N542 I543 V546 L608 M616	N485-V489 WeakPolarHBondContact O-CG2 3.17Å; N485-V489 PolarHBondContact O-N 3.24Å; A486-V489 PolarHBondContact O-N 3.22Å; V489-N542 HydrophobicContact CG2-CB 3.7Å; V489-I543 HydrophobicContact CG1-CG1 4.33Å; V489-V546 HydrophobicContact CB-CG2 4.01Å; V489-V546 HydrophobicContact CG1-CB 4.28Å; V489-V546 HydrophobicContact CG1-CG2 4.02Å; V489-V546 HydrophobicContact CG2-CG2 4.03Å; V489-L608 WeakPolarHBondContact O-CD2 3.41Å; V489-M616 HydrophobicContact CG1-CE 4.33Å
490	L	98.3	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-82.1	-16.1	180	-64.7	170.7	0	0	0	112.9	A486 I492 V546 L550 I604 F605 L608 M616	A486-L490 HydrophobicContact CB-CD1 4.43Å; A486-L490 VanDerWaalsContact O-CB 3.28Å; A486-L490 WeakPolarHBondContact O-CB 3.11Å; A486-L490 VanDerWaalsContact O-CG 3.3Å; A486-L490 WeakPolarHBondContact O-CG 3.32Å; A486-L490 PolarHBondContact O-N 2.9Å; L490-I492 VanDerWaalsContact C-N 3.34Å; L490-I492 HydrophobicContact CB-CD1 4.03Å; L490-I492 HydrophobicContact CB-CG1 3.91Å; L490-I492 HydrophobicContact CB-CG2 4.44Å; L490-I492 HydrophobicContact CD1-CD1 4.02Å; L490-V546 HydrophobicContact CD1-CG1 4.28Å; L490-V546 HydrophobicContact CD2-CG1 4.25Å; L490-V546 HydrophobicContact CG-CG1 4.21Å; L490-L550 HydrophobicContact CD2-CD1 4.46Å; L490-I604 HydrophobicContact CD1-CB 4.36Å; L490-F605 HydrophobicContact CD2-CD1 4.14Å; L490-F605 HydrophobicContact CD2-CE1 4.28Å; L490-L608 HydrophobicContact CD2-CD1 4.26Å; L490-M616 HydrophobicContact CD2-CE 4.01Å
491	R	98.2	Very high	97.5	Very high	114 Å²	114	35.1 Å²	35.1	43%	0.43	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	42	-177.3	-52.1	176.5	-170.6	117.9	7.5	112.5	L487 S488 N607 E612	L487-R491 VanDerWaalsContact O-CA 3.28Å; L487-R491 WeakPolarHBondContact O-CA 3.42Å; L487-R491 PolarHBondContact O-N 3.47Å; S488-R491 WeakPolarHBondContact O-CG 3.42Å; S488-R491 PolarHBondContact O-N 3.03Å; R491-N607 HydrophobicContact CB-CB 3.8Å; R491-N607 PolarHBondContact NH1-O 3.16Å; R491-N607 WeakPolarHBondContact O-CB 3.46Å; R491-N607 PolarHBondContact O-ND2 3.36Å; R491-E612 IonicContact CZ-OE1 3.64Å; R491-E612 IonicContact CZ-OE2 3.12Å; R491-E612 IonicContact NH1-OE1 3.51Å; R491-E612 IonicContact NH1-OE2 2.78Å; R491-E612 PolarHBondContact NH1-OE2 3.32Å; R491-E612 IonicContact NH2-OE1 2.7Å; R491-E612 PolarHBondContact NH2-OE1 3.02Å; R491-E612 IonicContact NH2-OE2 2.68Å; R491-E612 PolarHBondContact NH2-OE2 2.94Å
492	I	97.9	Very high	97.5	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.056	21%	0.206	C	C	.	.			trans	-121	150.8	-178.3	62.4	178.4	0	0	0	111.6	L487 L490 I496 L497 I604 Q606	L487-I492 HydrophobicContact CD2-CG1 4.03Å; L487-I492 PolarHBondContact O-N 2.75Å; L487-I492 VanDerWaalsContact O-N 3.15Å; L490-I492 VanDerWaalsContact C-N 3.34Å; L490-I492 HydrophobicContact CB-CD1 4.03Å; L490-I492 HydrophobicContact CB-CG1 3.91Å; L490-I492 HydrophobicContact CB-CG2 4.44Å; L490-I492 HydrophobicContact CD1-CD1 4.02Å; I492-I496 HydrophobicContact CB-CB 4.47Å; I492-I496 HydrophobicContact CD1-CG2 4.25Å; I492-L497 HydrophobicContact CD1-CB 4.16Å; I492-I604 HydrophobicContact CD1-CB 3.78Å; I492-I604 HydrophobicContact CD1-CG2 3.71Å; I492-Q606 HydrophobicContact CG2-CG 4.38Å
493	P	96.3	Very high	97.6	Very high	66 Å²	66	33.5 Å²	33.5	43%	0.429	19%	0.189	S	C	.	.			trans	-70.9	155.4	169.1	33	-37.1	0	0	0	111	Q495 I496	P493-Q495 PolarHBondContact O-N 3.01Å; P493-I496 HydrophobicContact CG-CD1 3.86Å; P493-I496 HydrophobicContact CG-CG1 3.93Å; P493-I496 PolarHBondContact O-N 3.27Å
494	S	96.2	Very high	97.6	Very high	35 Å²	35	30.9 Å²	30.9	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-29.4	-175.5	56.2	0	0	0	0	113.6	I496 L497 V498	S494-I496 VanDerWaalsContact C-N 3.32Å; S494-I496 PolarHBondContact O-N 3.08Å; S494-L497 PolarHBondContact O-N 3.06Å; S494-V498 WeakPolarHBondContact O-CG2 3.11Å; S494-V498 PolarHBondContact O-N 3.4Å
495	Q	95.9	Very high	97.6	Very high	88 Å²	88	31 Å²	31	41%	0.411	17%	0.171	S	C	.	.	H	α-helix	trans	-61.2	-38.9	179	-65.2	79.2	6.3	0	0	112.3	L438 P493 L497 V498 G499	L438-Q495 HydrophobicContact CD2-CB 4.44Å; L438-Q495 WeakPolarHBondContact CD2-O 3.22Å; P493-Q495 PolarHBondContact O-N 3.01Å; Q495-L497 VanDerWaalsContact C-N 3.33Å; Q495-V498 PolarHBondContact O-N 3.17Å; Q495-G499 PolarHBondContact O-N 2.81Å
496	I	97.4	Very high	97.7	Very high	17 Å²	17	32.1 Å²	32.1	9%	0.087	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-38.5	178.5	-64	-175.4	0	0	0	110.3	I492 P493 S494 G499 W500 I604	I492-I496 HydrophobicContact CB-CB 4.47Å; I492-I496 HydrophobicContact CD1-CG2 4.25Å; P493-I496 HydrophobicContact CG-CD1 3.86Å; P493-I496 HydrophobicContact CG-CG1 3.93Å; P493-I496 PolarHBondContact O-N 3.27Å; S494-I496 VanDerWaalsContact C-N 3.32Å; S494-I496 PolarHBondContact O-N 3.08Å; I496-G499 PolarHBondContact O-N 3.39Å; I496-W500 VanDerWaalsContact O-CB 3.3Å; I496-W500 WeakPolarHBondContact O-CB 3.39Å; I496-W500 PolarHBondContact O-N 3.1Å; I496-I604 HydrophobicContact CG2-CG2 4.26Å
497	L	97.9	Very high	97.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-67	-45.5	177.5	-178.2	59.7	0	0	0	112	M478 L481 L487 I492 S494 Q495 G499 W500 L501 I604	M478-L497 HydrophobicContact CE-CD2 4.49Å; M478-L497 HydrophobicContact SD-CB 4.2Å; M478-L497 HydrophobicContact SD-CD2 3.79Å; M478-L497 HydrophobicContact SD-CG 3.75Å; L481-L497 HydrophobicContact CB-CD2 4.03Å; L481-L497 HydrophobicContact CD1-CD1 3.7Å; L481-L497 HydrophobicContact CD1-CD2 4Å; L481-L497 HydrophobicContact CD1-CG 4.32Å; L487-L497 HydrophobicContact CD2-CB 3.84Å; L487-L497 HydrophobicContact CD2-CD2 3.68Å; L487-L497 HydrophobicContact CD2-CG 4.41Å; L487-L497 HydrophobicContact CG-CD2 4.35Å; I492-L497 HydrophobicContact CD1-CB 4.16Å; S494-L497 PolarHBondContact O-N 3.06Å; Q495-L497 VanDerWaalsContact C-N 3.33Å; L497-G499 VanDerWaalsContact C-N 3.35Å; L497-W500 HydrophobicContact CD1-CE3 4.11Å; L497-W500 PolarHBondContact O-N 3.35Å; L497-L501 HydrophobicContact CD1-CD1 4.28Å; L497-L501 HydrophobicContact CD1-CG 4.29Å; L497-L501 HydrophobicContact CG-CD1 4.07Å; L497-L501 WeakPolarHBondContact O-CB 3.33Å; L497-L501 WeakPolarHBondContact O-CG 3.29Å; L497-L501 PolarHBondContact O-N 2.73Å; L497-I604 HydrophobicContact CD1-CG2 4.24Å
498	V	97	Very high	97.6	Very high	10 Å²	10	33.4 Å²	33.4	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-47.5	175.6	179.7	0	0	0	0	109.9	L438 T474 M478 S494 Q495 W500 L501 T502	L438-V498 HydrophobicContact CD1-CG1 3.84Å; L438-V498 HydrophobicContact CD2-CB 4.13Å; L438-V498 HydrophobicContact CD2-CG1 4.23Å; L438-V498 HydrophobicContact CG-CG1 4.2Å; T474-V498 HydrophobicContact CG2-CG1 4.32Å; M478-V498 HydrophobicContact CE-CG2 3.61Å; M478-V498 HydrophobicContact CG-CG2 3.87Å; M478-V498 HydrophobicContact SD-CB 4.3Å; M478-V498 HydrophobicContact SD-CG2 3.37Å; M478-V498 WeakPolarHBondContact SD-CG2 3.38Å; S494-V498 WeakPolarHBondContact O-CG2 3.11Å; S494-V498 PolarHBondContact O-N 3.4Å; Q495-V498 PolarHBondContact O-N 3.17Å; V498-W500 VanDerWaalsContact C-N 3.33Å; V498-W500 PolarHBondContact O-N 3.47Å; V498-L501 PolarHBondContact O-N 3.28Å; V498-T502 PolarHBondContact O-N 3.41Å; V498-T502 PolarHBondContact O-OG1 3.41Å
499	G	96.8	Very high	97.6	Very high	10 Å²	10	33.5 Å²	33.5	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-43.1	179.3	0	0	0	0	0	112.4	Q495 I496 L497 T502 V503	Q495-G499 PolarHBondContact O-N 2.81Å; I496-G499 PolarHBondContact O-N 3.39Å; L497-G499 VanDerWaalsContact C-N 3.35Å; G499-T502 PolarHBondContact O-N 2.85Å; G499-V503 WeakPolarHBondContact O-CG2 3Å; G499-V503 PolarHBondContact O-N 3.24Å
500	W	98.5	Very high	97.6	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-47.9	174.8	179.4	82.5	0	0	0	112.6	I496 L497 V498 T502 V503 I504 L550 I553 V554 T596 I602 I604	I496-W500 VanDerWaalsContact O-CB 3.3Å; I496-W500 WeakPolarHBondContact O-CB 3.39Å; I496-W500 PolarHBondContact O-N 3.1Å; L497-W500 HydrophobicContact CD1-CE3 4.11Å; L497-W500 PolarHBondContact O-N 3.35Å; V498-W500 VanDerWaalsContact C-N 3.33Å; V498-W500 PolarHBondContact O-N 3.47Å; W500-T502 VanDerWaalsContact C-N 3.34Å; W500-T502 PolarHBondContact O-N 2.68Å; W500-V503 PolarHBondContact O-N 3.19Å; W500-I504 HydrophobicContact CD2-CG1 4.06Å; W500-I504 HydrophobicContact CE3-CG1 4.49Å; W500-I504 HydrophobicContact CH2-CG1 4.2Å; W500-I504 HydrophobicContact CZ2-CD1 4.21Å; W500-I504 HydrophobicContact CZ2-CG1 3.75Å; W500-I504 WeakPolarHBondContact O-CG1 3.26Å; W500-I504 PolarHBondContact O-N 3.1Å; W500-L550 HydrophobicContact CH2-CD2 3.55Å; W500-L550 HydrophobicContact CZ2-CD2 4.31Å; W500-L550 HydrophobicContact CZ3-CD2 3.68Å; W500-I553 HydrophobicContact CH2-CB 4.21Å; W500-I553 HydrophobicContact CH2-CD1 4.47Å; W500-I553 HydrophobicContact CH2-CG2 3.56Å; W500-I553 HydrophobicContact CZ3-CD1 4.15Å; W500-I553 HydrophobicContact CZ3-CG2 3.76Å; W500-V554 HydrophobicContact CH2-CG1 3.89Å; W500-V554 HydrophobicContact CZ2-CG1 3.75Å; W500-T596 PolarHBondContact NE1-OG1 3.19Å; W500-I602 HydrophobicContact CB-CB 4.42Å; W500-I602 VanDerWaalsContact CD1-O 3.26Å; W500-I604 HydrophobicContact CB-CG2 3.48Å; W500-I604 VanDerWaalsContact CB-CG2 3.48Å; W500-I604 HydrophobicContact CD2-CD1 3.85Å; W500-I604 HydrophobicContact CD2-CG1 4.31Å; W500-I604 HydrophobicContact CD2-CG2 3.89Å; W500-I604 HydrophobicContact CE3-CD1 4.21Å; W500-I604 HydrophobicContact CE3-CG2 4.34Å; W500-I604 HydrophobicContact CG-CD1 4.35Å; W500-I604 HydrophobicContact CG-CG1 4.3Å; W500-I604 HydrophobicContact CG-CG2 3.47Å; W500-I604 VanDerWaalsContact CG-CG2 3.47Å; W500-I604 HydrophobicContact CH2-CD1 4.24Å; W500-I604 HydrophobicContact CZ2-CD1 3.84Å; W500-I604 HydrophobicContact CZ3-CD1 4.39Å
501	L	98.6	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-43.6	177.7	-77.3	168.2	0	0	0	111.9	T474 M478 L481 L497 V498 V503 I504 E505 I553	T474-L501 HydrophobicContact CG2-CB 4.19Å; M478-L501 HydrophobicContact CB-CD1 4.48Å; M478-L501 HydrophobicContact CG-CD1 3.71Å; M478-L501 HydrophobicContact SD-CD1 3.76Å; L481-L501 HydrophobicContact CD1-CD1 4.5Å; L481-L501 HydrophobicContact CD1-CD2 4.47Å; L497-L501 HydrophobicContact CD1-CD1 4.28Å; L497-L501 HydrophobicContact CD1-CG 4.29Å; L497-L501 HydrophobicContact CG-CD1 4.07Å; L497-L501 WeakPolarHBondContact O-CB 3.33Å; L497-L501 WeakPolarHBondContact O-CG 3.29Å; L497-L501 PolarHBondContact O-N 2.73Å; V498-L501 PolarHBondContact O-N 3.28Å; L501-V503 PolarHBondContact O-N 2.77Å; L501-I504 PolarHBondContact O-N 3.17Å; L501-E505 VanDerWaalsContact O-CB 3.3Å; L501-E505 WeakPolarHBondContact O-CB 3.34Å; L501-E505 PolarHBondContact O-N 3.38Å; L501-I553 HydrophobicContact CD2-CD1 4Å; L501-I553 HydrophobicContact CD2-CG2 4.17Å
502	T	97.7	Very high	97.6	Very high	36 Å²	36	38.4 Å²	38.4	22%	0.221	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-44.7	176.6	-60.3	0	0	0	0	111.3	V498 G499 W500 E505 E506	V498-T502 PolarHBondContact O-N 3.41Å; V498-T502 PolarHBondContact O-OG1 3.41Å; G499-T502 PolarHBondContact O-N 2.85Å; W500-T502 VanDerWaalsContact C-N 3.34Å; W500-T502 PolarHBondContact O-N 2.68Å; T502-E505 PolarHBondContact O-N 3Å; T502-E506 WeakPolarHBondContact O-CB 3.41Å; T502-E506 VanDerWaalsContact O-CG 3.27Å; T502-E506 WeakPolarHBondContact O-CG 3.4Å; T502-E506 PolarHBondContact O-N 2.83Å
503	V	97.7	Very high	97.6	Very high	33 Å²	33	39.6 Å²	39.6	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-45.5	176.5	169.5	0	0	0	0	111	G499 W500 L501 E506 H507 L595 I602	G499-V503 WeakPolarHBondContact O-CG2 3Å; G499-V503 PolarHBondContact O-N 3.24Å; W500-V503 PolarHBondContact O-N 3.19Å; L501-V503 PolarHBondContact O-N 2.77Å; V503-E506 PolarHBondContact O-N 3.2Å; V503-H507 PolarHBondContact O-N 3.39Å; V503-H507 PolarHBondContact O-ND1 2.96Å; V503-L595 HydrophobicContact CG1-CB 4.33Å; V503-L595 HydrophobicContact CG1-CD1 4.49Å; V503-I602 HydrophobicContact CG1-CD1 4.3Å; V503-I602 HydrophobicContact CG2-CD1 4.1Å; V503-I602 HydrophobicContact CG2-CG2 4.31Å
504	I	98.3	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-47.6	178.3	-66.1	-59.9	0	0	0	111.2	L473 W500 L501 E506 H507 Y508 I553 V554 V557 L595	L473-I504 HydrophobicContact CD2-CG2 4.25Å; W500-I504 HydrophobicContact CD2-CG1 4.06Å; W500-I504 HydrophobicContact CE3-CG1 4.49Å; W500-I504 HydrophobicContact CH2-CG1 4.2Å; W500-I504 HydrophobicContact CZ2-CD1 4.21Å; W500-I504 HydrophobicContact CZ2-CG1 3.75Å; W500-I504 WeakPolarHBondContact O-CG1 3.26Å; W500-I504 PolarHBondContact O-N 3.1Å; L501-I504 PolarHBondContact O-N 3.17Å; I504-E506 VanDerWaalsContact C-N 3.27Å; I504-E506 PolarHBondContact O-N 3.22Å; I504-H507 PolarHBondContact O-N 2.96Å; I504-Y508 HydrophobicContact CG2-CD2 4.36Å; I504-Y508 HydrophobicContact CG2-CE2 3.94Å; I504-Y508 WeakPolarHBondContact O-CD2 3.26Å; I504-Y508 PolarHBondContact O-N 3.47Å; I504-I553 HydrophobicContact CG2-CG2 3.87Å; I504-V554 HydrophobicContact CD1-CG1 4.1Å; I504-V554 HydrophobicContact CG1-CG1 4.32Å; I504-V554 HydrophobicContact CG2-CG1 4.17Å; I504-V557 HydrophobicContact CG2-CG2 4.07Å; I504-L595 HydrophobicContact CD1-CB 4.45Å; I504-L595 HydrophobicContact CD1-CD1 3.88Å
505	E	98.6	Very high	97.8	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-39.2	178.5	178.7	170.8	-110.6	0	0	112.3	K471 L473 T474 L501 T502 H507 Y508 A517	K471-E505 WeakPolarHBondContact CA-OE1 3.38Å; K471-E505 HydrophobicContact CB-CG 4.42Å; K471-E505 WeakPolarHBondContact CB-OE2 3.35Å; K471-E505 HydrophobicContact CG-CG 4.41Å; K471-E505 VanDerWaalsContact O-OE1 3.08Å; L473-E505 WeakPolarHBondContact CA-OE1 3.36Å; L473-E505 HydrophobicContact CB-CB 4.3Å; L473-E505 HydrophobicContact CB-CG 4.2Å; L473-E505 VanDerWaalsContact CB-OE1 3.31Å; L473-E505 WeakPolarHBondContact CB-OE1 3.34Å; L473-E505 HydrophobicContact CD2-CB 4.24Å; L473-E505 PolarHBondContact N-OE1 3.3Å; T474-E505 WeakPolarHBondContact CB-OE2 3.23Å; T474-E505 PolarHBondContact N-OE1 3.48Å; T474-E505 VanDerWaalsContact OG1-CD 3.32Å; T474-E505 PolarHBondContact OG1-OE2 3.25Å; L501-E505 VanDerWaalsContact O-CB 3.3Å; L501-E505 WeakPolarHBondContact O-CB 3.34Å; L501-E505 PolarHBondContact O-N 3.38Å; T502-E505 PolarHBondContact O-N 3Å; E505-H507 VanDerWaalsContact C-N 3.28Å; E505-H507 PolarHBondContact O-N 3.42Å; E505-Y508 PolarHBondContact O-N 3Å; E505-A517 HydrophobicContact CG-CB 3.92Å
506	E	97.3	Very high	98	Very high	107 Å²	107	33 Å²	33	50%	0.5	18%	0.175	S	C	.	.	H	α-helix	trans	-73.1	-17.3	177.3	-71.8	-179.9	163.9	0	0	114	K471 T502 V503 I504	K471-E506 IonicContact NZ-OE1 3.65Å; K471-E506 PolarHBondContact NZ-OE1 2.71Å; T502-E506 WeakPolarHBondContact O-CB 3.41Å; T502-E506 VanDerWaalsContact O-CG 3.27Å; T502-E506 WeakPolarHBondContact O-CG 3.4Å; T502-E506 PolarHBondContact O-N 2.83Å; V503-E506 PolarHBondContact O-N 3.2Å; I504-E506 VanDerWaalsContact C-N 3.27Å; I504-E506 PolarHBondContact O-N 3.22Å
507	H	97.7	Very high	98	Very high	54 Å²	54	32.4 Å²	32.4	25%	0.25	17%	0.173	C	C	.	.	H	α-helix	trans	-89	-5.2	172.9	-73.4	74.3	0	0	0	112.9	V503 I504 E505 V557 D558 L595	V503-H507 PolarHBondContact O-N 3.39Å; V503-H507 PolarHBondContact O-ND1 2.96Å; I504-H507 PolarHBondContact O-N 2.96Å; E505-H507 VanDerWaalsContact C-N 3.28Å; E505-H507 PolarHBondContact O-N 3.42Å; H507-V557 HydrophobicContact CB-CG2 3.7Å; H507-D558 VanDerWaalsContact O-CA 3.24Å; H507-D558 WeakPolarHBondContact O-CA 3.42Å; H507-D558 PolarHBondContact O-N 3.23Å; H507-L595 HydrophobicContact CB-CD1 3.89Å; H507-L595 VanDerWaalsContact CG-CD1 3.48Å; H507-L595 WeakPolarHBondContact NE2-CD2 3.36Å
508	Y	98.7	Very high	98.1	Very high	9 Å²	9	32.4 Å²	32.4	4%	0.035	17%	0.173	C	C	.	.	S	Bend	trans	-78.5	136.9	163.3	-82.4	-85.2	0	0	0	110.6	L473 I504 E505 V510 N516 A517 A520 I553 D556 V557	L473-Y508 HydrophobicContact CD2-CD2 4.15Å; L473-Y508 HydrophobicContact CD2-CE2 3.98Å; I504-Y508 HydrophobicContact CG2-CD2 4.36Å; I504-Y508 HydrophobicContact CG2-CE2 3.94Å; I504-Y508 WeakPolarHBondContact O-CD2 3.26Å; I504-Y508 PolarHBondContact O-N 3.47Å; E505-Y508 PolarHBondContact O-N 3Å; Y508-V510 PolarHBondContact O-N 3.12Å; Y508-N516 VanDerWaalsContact CD1-C 3.47Å; Y508-A517 HydrophobicContact CD2-CB 4.34Å; Y508-A517 HydrophobicContact CG-CB 4.18Å; Y508-A520 HydrophobicContact CE1-CB 3.89Å; Y508-A520 HydrophobicContact CE2-CB 3.79Å; Y508-A520 VanDerWaalsContact CZ-CB 3.41Å; Y508-A520 WeakPolarHBondContact OH-CB 3.5Å; Y508-I553 WeakPolarHBondContact CE2-O 3.39Å; Y508-I553 PolarHBondContact OH-O 3.06Å; Y508-I553 VanDerWaalsContact OH-O 3.06Å; Y508-D556 HydrophobicContact CE1-CB 3.77Å; Y508-D556 WeakPolarHBondContact CE1-O 3.28Å; Y508-D556 PolarHBondContact OH-N 2.07Å; Y508-V557 HydrophobicContact CD2-CB 4.37Å; Y508-V557 HydrophobicContact CD2-CG2 4.14Å; Y508-V557 HydrophobicContact CE2-CB 3.82Å; Y508-V557 HydrophobicContact CE2-CG2 4.02Å; Y508-V557 VanDerWaalsContact CZ-CA 3.49Å; Y508-V557 PolarHBondContact OH-N 3.45Å
509	H	98	Very high	98.2	Very high	75 Å²	75	32 Å²	32	35%	0.347	17%	0.17	S	C	.	.			trans	-80.3	109.2	-177.4	-65.2	-166.3	0	0	0	109.7	D511 N512 D558	H509-D511 PolarHBondContact O-N 3.48Å; H509-D511 VanDerWaalsContact O-N 3.11Å; H509-N512 WeakPolarHBondContact O-CB 3.46Å; H509-N512 PolarHBondContact O-N 2.93Å; H509-N512 VanDerWaalsContact O-N 3.08Å; H509-D558 IonicContact CD2-OD1 2.84Å; H509-D558 IonicContact CE1-OD1 3.6Å; H509-D558 IonicContact NE2-OD1 3.67Å; H509-D558 PolarHBondContact NE2-OD1 2.67Å
510	V	97.6	Very high	98.3	Very high	77 Å²	77	31.5 Å²	31.5	47%	0.467	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.7	-176.4	69.5	0	0	0	0	114.6	K470 Y508	K470-V510 HydrophobicContact CB-CG2 3.87Å; K470-V510 HydrophobicContact CD-CG2 3.42Å; K470-V510 VanDerWaalsContact CD-CG2 3.42Å; K470-V510 HydrophobicContact CG-CG2 4.34Å; K470-V510 PolarHBondContact NZ-O 3.47Å; Y508-V510 PolarHBondContact O-N 3.12Å
511	D	97	Very high	98.3	Very high	143 Å²	143	31.2 Å²	31.2	77%	0.765	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-14.2	180	-65.4	-32	0	0	0	112.9	H509 P513	H509-D511 PolarHBondContact O-N 3.48Å; H509-D511 VanDerWaalsContact O-N 3.11Å; D511-P513 WeakPolarHBondContact O-CD 3.39Å
512	N	98.6	Very high	98.3	Very high	18 Å²	18	31.2 Å²	31.2	10%	0.096	16%	0.164	C	C	.	.			trans	-64.9	129.1	173.7	-73.1	-7.9	0	0	0	109.6	H509 Y514 H515 N516 H559 G561	H509-N512 WeakPolarHBondContact O-CB 3.46Å; H509-N512 PolarHBondContact O-N 2.93Å; H509-N512 VanDerWaalsContact O-N 3.08Å; N512-Y514 PolarHBondContact O-N 3.18Å; N512-H515 WeakPolarHBondContact CB-O 3.33Å; N512-H515 PolarHBondContact ND2-O 3.39Å; N512-N516 HydrophobicContact CB-CB 4.41Å; N512-N516 PolarHBondContact O-ND2 2.9Å; N512-H559 PolarHBondContact ND2-O 3.36Å; N512-G561 PolarHBondContact ND2-N 3.43Å
513	P	98.3	Very high	98.4	Very high	35 Å²	35	29.5 Å²	29.5	23%	0.227	15%	0.154	C	C	.	.	S	Bend	trans	-61.7	-41.5	176.1	-24.1	34.2	0	0	0	112.8	D511 N516 R729 E732 E733	D511-P513 WeakPolarHBondContact O-CD 3.39Å; P513-N516 PolarHBondContact O-ND2 3.05Å; P513-R729 WeakPolarHBondContact CB-O 3.25Å; P513-R729 WeakPolarHBondContact O-CB 3.24Å; P513-R729 VanDerWaalsContact O-CD 3.32Å; P513-R729 WeakPolarHBondContact O-CD 2.91Å; P513-R729 WeakPolarHBondContact O-CG 3.13Å; P513-E732 HydrophobicContact CB-CB 4Å; P513-E732 HydrophobicContact CB-CG 3.86Å; P513-E732 HydrophobicContact CG-CB 4.28Å; P513-E732 HydrophobicContact CG-CG 3.71Å; P513-E733 HydrophobicContact CB-CB 4.18Å; P513-E733 HydrophobicContact CG-CB 4.12Å; P513-E733 HydrophobicContact CG-CG 4.49Å
514	Y	98.8	Very high	98.4	Very high	14 Å²	14	28 Å²	28	6%	0.055	14%	0.144	C	C	.	.	S	Bend	trans	-111.5	-62.3	-175.4	-172.2	-89.5	0	0	0	112.6	N512 N516 H519 N715 W726 R729 I730 E733	N512-Y514 PolarHBondContact O-N 3.18Å; Y514-N516 VanDerWaalsContact C-N 3.26Å; Y514-N516 PolarHBondContact O-N 3.46Å; Y514-N516 PolarHBondContact O-ND2 3.19Å; Y514-H519 AromaticContact CE1-CE1 3.64Å; Y514-H519 AromaticContact CE1-ND1 3.71Å; Y514-H519 AromaticContact CE1-NE2 3.96Å; Y514-H519 AromaticContact CZ-CE1 3.93Å; Y514-H519 AromaticContact CZ-ND1 3.84Å; Y514-H519 WeakPolarHBondContact O-CB 3.4Å; Y514-N715 WeakPolarHBondContact CE2-OD1 3.14Å; Y514-N715 PolarHBondContact OH-OD1 3.16Å; Y514-W726 AromaticContact CD2-CE3 3.56Å; Y514-W726 HydrophobicContact CD2-CE3 3.56Å; Y514-W726 HydrophobicContact CD2-CZ3 4.01Å; Y514-W726 HydrophobicContact CE2-CB 4.38Å; Y514-W726 HydrophobicContact CE2-CD2 4.2Å; Y514-W726 AromaticContact CE2-CE3 3.56Å; Y514-W726 HydrophobicContact CE2-CE3 3.56Å; Y514-W726 HydrophobicContact CE2-CZ3 4.24Å; Y514-W726 HydrophobicContact CG-CE3 4.49Å; Y514-R729 HydrophobicContact CD2-CB 4.14Å; Y514-I730 HydrophobicContact CD1-CD1 3.73Å; Y514-I730 HydrophobicContact CD2-CB 3.53Å; Y514-I730 HydrophobicContact CD2-CD1 4.01Å; Y514-I730 HydrophobicContact CD2-CG1 4.27Å; Y514-I730 HydrophobicContact CE1-CD1 4.14Å; Y514-I730 HydrophobicContact CE2-CB 3.86Å; Y514-I730 HydrophobicContact CE2-CD1 4.39Å; Y514-I730 HydrophobicContact CE2-CG1 4.47Å; Y514-I730 HydrophobicContact CG-CB 4.03Å; Y514-I730 HydrophobicContact CG-CD1 3.64Å; Y514-I730 HydrophobicContact CG-CG1 4.39Å; Y514-E733 WeakPolarHBondContact CB-OE2 3.28Å; Y514-E733 PolarHBondContact N-OE2 2.76Å
515	H	98.7	Very high	98.4	Very high	25 Å²	25	28 Å²	28	12%	0.116	14%	0.144	C	C	.	.	S	Bend	trans	-78.9	69.9	-171.7	-60.3	88.9	0	0	0	112	N512 D556 H559 E733	N512-H515 WeakPolarHBondContact CB-O 3.33Å; N512-H515 PolarHBondContact ND2-O 3.39Å; H515-D556 IonicContact CD2-OD2 3.41Å; H515-D556 PolarHBondContact CD2-OD2 3.09Å; H515-D556 VanDerWaalsContact CD2-OD2 3.3Å; H515-H559 HydrophobicContact CB-CB 3.79Å; H515-H559 VanDerWaalsContact CB-ND1 3.31Å; H515-H559 WeakPolarHBondContact CB-ND1 3.36Å; H515-H559 AromaticContact CD2-CD2 3.82Å; H515-H559 AromaticContact CD2-CE1 3.84Å; H515-H559 AromaticContact CD2-NE2 3.72Å; H515-H559 AromaticContact CE1-CE1 3.77Å; H515-H559 AromaticContact CG-CD2 3.97Å; H515-H559 AromaticContact CG-CE1 3.49Å; H515-H559 VanDerWaalsContact CG-CE1 3.49Å; H515-H559 AromaticContact CG-CG 3.79Å; H515-H559 AromaticContact CG-ND1 3.45Å; H515-H559 AromaticContact CG-NE2 3.84Å; H515-H559 AromaticContact ND1-CE1 3.44Å; H515-H559 PolarHBondContact ND1-CE1 2.87Å; H515-H559 AromaticContact ND1-ND1 3.74Å; H515-H559 AromaticContact NE2-NE2 3.88Å; H515-E733 IonicContact CE1-OE1 2.76Å; H515-E733 PolarHBondContact CE1-OE1 3.07Å; H515-E733 IonicContact CG-OE1 3.34Å; H515-E733 PolarHBondContact N-OE2 3.34Å; H515-E733 VanDerWaalsContact N-OE2 3.08Å; H515-E733 IonicContact ND1-OE1 3.49Å; H515-E733 PolarHBondContact ND1-OE1 3.45Å; H515-E733 IonicContact ND1-OE2 3.94Å
516	N	98.6	Very high	98.5	Very high	11 Å²	11	27.4 Å²	27.4	6%	0.059	14%	0.142	C	C	.	.	S	Bend	trans	-127.6	-178.3	-179.8	59.7	48.1	0	0	0	111.3	Y508 N512 P513 Y514 T518 H519 A520	Y508-N516 VanDerWaalsContact CD1-C 3.47Å; N512-N516 HydrophobicContact CB-CB 4.41Å; N512-N516 PolarHBondContact O-ND2 2.9Å; P513-N516 PolarHBondContact O-ND2 3.05Å; Y514-N516 VanDerWaalsContact C-N 3.26Å; Y514-N516 PolarHBondContact O-N 3.46Å; Y514-N516 PolarHBondContact O-ND2 3.19Å; N516-T518 PolarHBondContact O-N 3.19Å; N516-T518 WeakPolarHBondContact OD1-CA 3.29Å; N516-T518 WeakPolarHBondContact OD1-CB 3.07Å; N516-T518 PolarHBondContact OD1-N 2.95Å; N516-H519 WeakPolarHBondContact O-CB 3.34Å; N516-H519 PolarHBondContact O-N 3Å; N516-H519 VanDerWaalsContact O-N 3.1Å; N516-H519 PolarHBondContact OD1-N 3.49Å; N516-A520 PolarHBondContact O-N 3.11Å
517	A	98.6	Very high	98.5	Very high	6 Å²	6	22.3 Å²	22.3	5%	0.05	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-24.7	-178.1	0	0	0	0	0	113.8	L473 E505 Y508 G521	L473-A517 HydrophobicContact CB-CB 4.19Å; L473-A517 HydrophobicContact CD2-CB 4.46Å; E505-A517 HydrophobicContact CG-CB 3.92Å; Y508-A517 HydrophobicContact CD2-CB 4.34Å; Y508-A517 HydrophobicContact CG-CB 4.18Å; A517-G521 PolarHBondContact O-N 3.5Å
518	T	98.8	Very high	98.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-67.2	-43.1	174.4	-53.1	0	0	0	0	110.7	I461 F462 E465 P472 N516 G521 D522 W726	I461-T518 HydrophobicContact CG1-CG2 3.73Å; I461-T518 WeakPolarHBondContact CG1-O 3.11Å; I461-T518 HydrophobicContact CG2-CG2 4.19Å; F462-T518 HydrophobicContact CD1-CG2 4.11Å; F462-T518 HydrophobicContact CE1-CG2 4.22Å; E465-T518 HydrophobicContact CB-CG2 3.98Å; E465-T518 VanDerWaalsContact CD-OG1 3.27Å; E465-T518 HydrophobicContact CG-CG2 4.14Å; E465-T518 WeakPolarHBondContact CG-OG1 3.1Å; E465-T518 PolarHBondContact OE1-OG1 3.19Å; P472-T518 HydrophobicContact CG-CG2 4.4Å; N516-T518 PolarHBondContact O-N 3.19Å; N516-T518 WeakPolarHBondContact OD1-CA 3.29Å; N516-T518 WeakPolarHBondContact OD1-CB 3.07Å; N516-T518 PolarHBondContact OD1-N 2.95Å; T518-G521 PolarHBondContact O-N 3.03Å; T518-D522 PolarHBondContact O-N 2.9Å; T518-W726 HydrophobicContact CG2-CH2 4Å; T518-W726 HydrophobicContact CG2-CZ2 4.24Å
519	H	98.8	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-48.8	174.3	170.6	61.5	0	0	0	110.8	Y514 N516 G521 D522 V523 H555 D556 D712 W726	Y514-H519 AromaticContact CE1-CE1 3.64Å; Y514-H519 AromaticContact CE1-ND1 3.71Å; Y514-H519 AromaticContact CE1-NE2 3.96Å; Y514-H519 AromaticContact CZ-CE1 3.93Å; Y514-H519 AromaticContact CZ-ND1 3.84Å; Y514-H519 WeakPolarHBondContact O-CB 3.4Å; N516-H519 WeakPolarHBondContact O-CB 3.34Å; N516-H519 PolarHBondContact O-N 3Å; N516-H519 VanDerWaalsContact O-N 3.1Å; N516-H519 PolarHBondContact OD1-N 3.49Å; H519-G521 PolarHBondContact O-N 3.44Å; H519-D522 WeakPolarHBondContact O-CA 3.38Å; H519-D522 WeakPolarHBondContact O-CB 3.48Å; H519-D522 PolarHBondContact O-N 3.33Å; H519-V523 VanDerWaalsContact CE1-CG2 3.43Å; H519-V523 WeakPolarHBondContact CE1-CG2 3.39Å; H519-V523 WeakPolarHBondContact O-CG2 3.33Å; H519-V523 PolarHBondContact O-N 3.41Å; H519-H555 AromaticContact CD2-CE1 3.9Å; H519-H555 AromaticContact CD2-NE2 3.79Å; H519-H555 AromaticContact NE2-CE1 3.64Å; H519-H555 AromaticContact NE2-NE2 3.16Å; H519-H555 PolarHBondContact NE2-NE2 3.43Å; H519-H555 VanDerWaalsContact NE2-NE2 3.16Å; H519-D556 IonicContact CD2-OD2 2.81Å; H519-D556 PolarHBondContact CD2-OD2 3.02Å; H519-D556 IonicContact NE2-OD2 3.1Å; H519-D556 PolarHBondContact NE2-OD2 3.42Å; H519-D712 IonicContact CE1-OD1 2.62Å; H519-D712 IonicContact NE2-OD1 3.27Å; H519-D712 PolarHBondContact NE2-OD1 2.99Å; H519-W726 HydrophobicContact CB-CH2 3.81Å; H519-W726 HydrophobicContact CB-CZ3 4.12Å
520	A	98.9	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.6	-39	175	0	0	0	0	0	112.9	L473 Y508 N516 L524	L473-A520 HydrophobicContact CD1-CB 4.24Å; L473-A520 HydrophobicContact CD2-CB 4.1Å; Y508-A520 HydrophobicContact CE1-CB 3.89Å; Y508-A520 HydrophobicContact CE2-CB 3.79Å; Y508-A520 VanDerWaalsContact CZ-CB 3.41Å; Y508-A520 WeakPolarHBondContact OH-CB 3.5Å; N516-A520 PolarHBondContact O-N 3.11Å; A520-L524 VanDerWaalsContact O-CB 3.29Å; A520-L524 WeakPolarHBondContact O-CB 3.09Å; A520-L524 PolarHBondContact O-N 3.06Å
521	G	98.8	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.1	-40.9	173.5	0	0	0	0	0	113.3	L476 A517 T518 H519 L524 Q525	L476-G521 VanDerWaalsContact CD2-O 3.3Å; L476-G521 WeakPolarHBondContact CD2-O 3.32Å; A517-G521 PolarHBondContact O-N 3.5Å; T518-G521 PolarHBondContact O-N 3.03Å; H519-G521 PolarHBondContact O-N 3.44Å; G521-L524 PolarHBondContact O-N 3.42Å; G521-Q525 PolarHBondContact O-N 2.9Å
522	D	98.8	Very high	98.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.6	-43.9	176.8	-162.7	49	0	0	0	111.9	I461 T518 H519 Q525 A526 N714 R718 W726	I461-D522 HydrophobicContact CB-CB 4.41Å; I461-D522 HydrophobicContact CG1-CB 4.34Å; I461-D522 HydrophobicContact CG2-CB 4.12Å; T518-D522 PolarHBondContact O-N 2.9Å; H519-D522 WeakPolarHBondContact O-CA 3.38Å; H519-D522 WeakPolarHBondContact O-CB 3.48Å; H519-D522 PolarHBondContact O-N 3.33Å; D522-Q525 PolarHBondContact O-N 3.2Å; D522-A526 WeakPolarHBondContact O-CB 3.12Å; D522-A526 PolarHBondContact O-N 2.87Å; D522-N714 PolarHBondContact OD2-ND2 3.26Å; D522-N714 PolarHBondContact OD2-OD1 2.91Å; D522-R718 PolarHBondContact O-NH2 3.31Å; D522-R718 IonicContact OD1-CZ 3.26Å; D522-R718 VanDerWaalsContact OD1-CZ 3.3Å; D522-R718 IonicContact OD1-NE 2.75Å; D522-R718 PolarHBondContact OD1-NE 3.23Å; D522-R718 IonicContact OD1-NH2 2.94Å; D522-R718 PolarHBondContact OD1-NH2 3.36Å; D522-R718 IonicContact OD2-NE 2.64Å; D522-R718 IonicContact OD2-NH2 2.69Å; D522-W726 HydrophobicContact CB-CZ2 3.98Å; D522-W726 PolarHBondContact OD2-NE1 3.24Å
523	V	98.9	Very high	98.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.8	-39.9	176.2	179.6	0	0	0	0	111.1	H519 S527 A552 I708	H519-V523 VanDerWaalsContact CE1-CG2 3.43Å; H519-V523 WeakPolarHBondContact CE1-CG2 3.39Å; H519-V523 WeakPolarHBondContact O-CG2 3.33Å; H519-V523 PolarHBondContact O-N 3.41Å; V523-S527 VanDerWaalsContact O-CB 3.28Å; V523-S527 WeakPolarHBondContact O-CB 3.46Å; V523-S527 PolarHBondContact O-N 3.25Å; V523-S527 PolarHBondContact O-OG 3.37Å; V523-A552 HydrophobicContact CG1-CB 4.02Å; V523-I708 HydrophobicContact CG1-CD1 3.99Å
524	L	98.9	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-47.7	173	170.4	63.8	0	0	0	111.4	L473 L476 I480 A520 G521 S527 A528 L549 A552 I553	L473-L524 HydrophobicContact CD1-CD2 4.27Å; L476-L524 HydrophobicContact CG-CD2 4.41Å; I480-L524 HydrophobicContact CB-CD2 4.5Å; I480-L524 HydrophobicContact CD1-CD2 4.09Å; I480-L524 HydrophobicContact CD1-CG 3.83Å; I480-L524 HydrophobicContact CG2-CD1 3.97Å; I480-L524 HydrophobicContact CG2-CG 4.36Å; A520-L524 VanDerWaalsContact O-CB 3.29Å; A520-L524 WeakPolarHBondContact O-CB 3.09Å; A520-L524 PolarHBondContact O-N 3.06Å; G521-L524 PolarHBondContact O-N 3.42Å; L524-S527 PolarHBondContact O-N 3.03Å; L524-A528 WeakPolarHBondContact O-CB 3.41Å; L524-A528 PolarHBondContact O-N 3.27Å; L524-L549 HydrophobicContact CD1-CB 3.93Å; L524-L549 HydrophobicContact CD1-CD2 3.67Å; L524-L549 HydrophobicContact CD1-CG 4.39Å; L524-A552 HydrophobicContact CB-CB 4.31Å; L524-I553 HydrophobicContact CB-CG1 4.4Å; L524-I553 HydrophobicContact CD1-CD1 4.05Å; L524-I553 HydrophobicContact CD1-CG1 3.92Å; L524-I553 HydrophobicContact CD2-CD1 4.12Å; L524-I553 HydrophobicContact CD2-CG1 3.81Å; L524-I553 HydrophobicContact CG-CG1 4.23Å
525	Q	98.8	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.4	-41.9	-179.3	-171.3	-83.4	-29.7	0	0	111.8	F454 K456 F459 L476 I480 G521 D522 S527 A528 Y529 R718	F454-Q525 WeakPolarHBondContact O-CG 3.28Å; F454-Q525 PolarHBondContact O-NE2 3.25Å; K456-Q525 PolarHBondContact O-NE2 2.91Å; F459-Q525 HydrophobicContact CB-CG 4.29Å; F459-Q525 HydrophobicContact CD1-CB 4.28Å; F459-Q525 HydrophobicContact CD1-CG 3.67Å; F459-Q525 HydrophobicContact CE1-CG 4.25Å; F459-Q525 HydrophobicContact CG-CG 4.08Å; L476-Q525 HydrophobicContact CD2-CB 4.33Å; I480-Q525 HydrophobicContact CD1-CB 4.14Å; I480-Q525 HydrophobicContact CD1-CG 4.41Å; G521-Q525 PolarHBondContact O-N 2.9Å; D522-Q525 PolarHBondContact O-N 3.2Å; Q525-S527 VanDerWaalsContact C-N 3.34Å; Q525-S527 PolarHBondContact O-N 3.12Å; Q525-A528 WeakPolarHBondContact O-CB 3.37Å; Q525-A528 PolarHBondContact O-N 3.3Å; Q525-Y529 PolarHBondContact O-N 3.36Å; Q525-R718 VanDerWaalsContact OE1-CZ 3.22Å
526	A	98.8	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.9	-42.6	174.2	0	0	0	0	0	111.8	W457 D522 A528 Y529 F530 N714	W457-A526 HydrophobicContact CH2-CB 3.83Å; W457-A526 HydrophobicContact CZ3-CB 3.95Å; D522-A526 WeakPolarHBondContact O-CB 3.12Å; D522-A526 PolarHBondContact O-N 2.87Å; A526-A528 VanDerWaalsContact C-N 3.33Å; A526-A528 PolarHBondContact O-N 3.27Å; A526-Y529 WeakPolarHBondContact O-CB 3.27Å; A526-Y529 PolarHBondContact O-N 2.72Å; A526-F530 HydrophobicContact CB-CE2 4.45Å; A526-F530 WeakPolarHBondContact O-CD2 3.33Å; A526-F530 PolarHBondContact O-N 3.36Å; A526-N714 HydrophobicContact CB-CB 4.42Å
527	S	98.9	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.4	-43.9	175.7	-63.5	0	0	0	0	111.3	V523 L524 Q525 F530 L531 S711	V523-S527 VanDerWaalsContact O-CB 3.28Å; V523-S527 WeakPolarHBondContact O-CB 3.46Å; V523-S527 PolarHBondContact O-N 3.25Å; V523-S527 PolarHBondContact O-OG 3.37Å; L524-S527 PolarHBondContact O-N 3.03Å; Q525-S527 VanDerWaalsContact C-N 3.34Å; Q525-S527 PolarHBondContact O-N 3.12Å; S527-F530 PolarHBondContact O-N 3.14Å; S527-L531 VanDerWaalsContact O-CG 3.25Å; S527-L531 WeakPolarHBondContact O-CG 3.25Å; S527-L531 PolarHBondContact O-N 3.2Å; S527-S711 WeakPolarHBondContact CA-OG 3.2Å; S527-S711 PolarHBondContact N-OG 3.38Å; S527-S711 WeakPolarHBondContact OG-CB 3.38Å; S527-S711 PolarHBondContact OG-OG 3.06Å; S527-S711 VanDerWaalsContact OG-OG 3.13Å
528	A	98.7	Very high	97.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-44.2	175.8	0	0	0	0	0	112.3	I480 F484 L524 Q525 A526 L531 Q532 L549	I480-A528 HydrophobicContact CD1-CB 4.08Å; I480-A528 HydrophobicContact CG1-CB 4.39Å; I480-A528 HydrophobicContact CG2-CB 3.7Å; F484-A528 HydrophobicContact CE2-CB 3.93Å; F484-A528 HydrophobicContact CZ-CB 4.44Å; L524-A528 WeakPolarHBondContact O-CB 3.41Å; L524-A528 PolarHBondContact O-N 3.27Å; Q525-A528 WeakPolarHBondContact O-CB 3.37Å; Q525-A528 PolarHBondContact O-N 3.3Å; A526-A528 VanDerWaalsContact C-N 3.33Å; A526-A528 PolarHBondContact O-N 3.27Å; A528-L531 PolarHBondContact O-N 3.18Å; A528-Q532 WeakPolarHBondContact O-CG 3.38Å; A528-Q532 PolarHBondContact O-N 3.42Å; A528-Q532 VanDerWaalsContact O-N 3.09Å; A528-L549 HydrophobicContact CB-CD2 3.93Å
529	Y	98.6	Very high	97.3	Very high	51 Å²	51	24.9 Å²	24.9	20%	0.2	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-47.5	175.8	178.4	-86.3	0	0	0	111.8	W457 Q525 A526 L531 Q532 H533 L788	W457-Y529 HydrophobicContact CB-CD2 4.27Å; W457-Y529 HydrophobicContact CB-CE2 3.77Å; W457-Y529 HydrophobicContact CD2-CD1 4.4Å; W457-Y529 HydrophobicContact CD2-CE1 4.38Å; W457-Y529 AromaticContact CE3-CD1 3.3Å; W457-Y529 HydrophobicContact CE3-CD1 3.3Å; W457-Y529 AromaticContact CE3-CD2 3.9Å; W457-Y529 HydrophobicContact CE3-CD2 3.9Å; W457-Y529 AromaticContact CE3-CE1 3.65Å; W457-Y529 HydrophobicContact CE3-CE1 3.65Å; W457-Y529 HydrophobicContact CE3-CE2 4.18Å; W457-Y529 AromaticContact CE3-CG 3.43Å; W457-Y529 HydrophobicContact CE3-CG 3.43Å; W457-Y529 VanDerWaalsContact CE3-CG 3.43Å; W457-Y529 AromaticContact CZ3-CD1 3.54Å; W457-Y529 HydrophobicContact CZ3-CD1 3.54Å; W457-Y529 HydrophobicContact CZ3-CE1 4.17Å; W457-Y529 AromaticContact CZ3-CG 3.87Å; W457-Y529 HydrophobicContact CZ3-CG 3.87Å; Q525-Y529 PolarHBondContact O-N 3.36Å; A526-Y529 WeakPolarHBondContact O-CB 3.27Å; A526-Y529 PolarHBondContact O-N 2.72Å; Y529-L531 VanDerWaalsContact C-N 3.34Å; Y529-L531 PolarHBondContact O-N 3.4Å; Y529-Q532 WeakPolarHBondContact O-CB 3.42Å; Y529-Q532 PolarHBondContact O-N 3.04Å; Y529-Q532 VanDerWaalsContact O-N 3.14Å; Y529-H533 PolarHBondContact O-N 3.32Å; Y529-L788 HydrophobicContact CE1-CD1 3.93Å
530	F	98.6	Very high	97.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-38.7	177.6	-67.9	-54.2	0	0	0	112.4	W457 A526 S527 Q532 H533 I536 I707 C710 S711 F776 F779 I785 L788	W457-F530 HydrophobicContact CH2-CE1 4.33Å; W457-F530 AromaticContact CH2-CE2 3.88Å; W457-F530 HydrophobicContact CH2-CE2 3.88Å; W457-F530 AromaticContact CH2-CZ 3.59Å; W457-F530 HydrophobicContact CH2-CZ 3.59Å; W457-F530 HydrophobicContact CZ3-CE1 4.31Å; W457-F530 HydrophobicContact CZ3-CE2 4.13Å; W457-F530 AromaticContact CZ3-CZ 3.92Å; W457-F530 HydrophobicContact CZ3-CZ 3.92Å; A526-F530 HydrophobicContact CB-CE2 4.45Å; A526-F530 WeakPolarHBondContact O-CD2 3.33Å; A526-F530 PolarHBondContact O-N 3.36Å; S527-F530 PolarHBondContact O-N 3.14Å; F530-Q532 PolarHBondContact O-N 2.84Å; F530-H533 WeakPolarHBondContact O-CB 3.3Å; F530-H533 PolarHBondContact O-N 3.3Å; F530-H533 VanDerWaalsContact O-N 3.09Å; F530-I536 HydrophobicContact CB-CD1 4.49Å; F530-I536 VanDerWaalsContact O-CD1 3.24Å; F530-I536 WeakPolarHBondContact O-CD1 3.24Å; F530-I707 HydrophobicContact CB-CG1 4.25Å; F530-I707 HydrophobicContact CB-CG2 4Å; F530-I707 HydrophobicContact CD2-CG2 4.23Å; F530-C710 HydrophobicContact CE2-CB 3.79Å; F530-C710 HydrophobicContact CZ-CB 3.92Å; F530-S711 WeakPolarHBondContact CD2-OG 3.21Å; F530-F776 HydrophobicContact CZ-CE1 4.49Å; F530-F779 AromaticContact CD1-CE1 3.72Å; F530-F779 HydrophobicContact CD1-CE1 3.72Å; F530-F779 AromaticContact CD1-CZ 3.72Å; F530-F779 HydrophobicContact CD1-CZ 3.72Å; F530-F779 AromaticContact CE1-CE1 3.84Å; F530-F779 HydrophobicContact CE1-CE1 3.84Å; F530-F779 HydrophobicContact CE1-CZ 4.16Å; F530-F779 HydrophobicContact CG-CZ 4.18Å; F530-I785 HydrophobicContact CE1-CG2 4.28Å; F530-L788 HydrophobicContact CE1-CD2 3.59Å; F530-L788 HydrophobicContact CZ-CD2 3.69Å
531	L	98.5	Very high	97	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.3	-25.3	176.2	-70.1	170.6	0	0	0	113	F484 S527 A528 Y529 H533 I536 E545 T548 L549 I707	F484-L531 HydrophobicContact CE1-CB 3.67Å; F484-L531 HydrophobicContact CE1-CD1 4.18Å; F484-L531 HydrophobicContact CZ-CB 3.72Å; F484-L531 HydrophobicContact CZ-CD1 4.34Å; S527-L531 VanDerWaalsContact O-CG 3.25Å; S527-L531 WeakPolarHBondContact O-CG 3.25Å; S527-L531 PolarHBondContact O-N 3.2Å; A528-L531 PolarHBondContact O-N 3.18Å; Y529-L531 VanDerWaalsContact C-N 3.34Å; Y529-L531 PolarHBondContact O-N 3.4Å; L531-H533 VanDerWaalsContact C-N 3.3Å; L531-I536 HydrophobicContact CD2-CG2 4.07Å; L531-E545 HydrophobicContact CD1-CB 4.38Å; L531-E545 HydrophobicContact CD2-CG 4.32Å; L531-T548 HydrophobicContact CD1-CG2 4.19Å; L531-T548 HydrophobicContact CD2-CG2 4.44Å; L531-L549 HydrophobicContact CD1-CD1 4.41Å; L531-L549 HydrophobicContact CD1-CD2 3.8Å; L531-L549 HydrophobicContact CD1-CG 3.83Å; L531-I707 HydrophobicContact CD2-CD1 4.23Å
532	Q	96.7	Very high	96.8	Very high	74 Å²	74	33.1 Å²	33.1	35%	0.346	18%	0.175	S	C	.	.	H	α-helix	trans	-77.7	-12.3	174.2	-71.4	174.2	-18.6	0	0	113.5	F484 A528 Y529 F530 S534	F484-Q532 HydrophobicContact CZ-CG 3.95Å; A528-Q532 WeakPolarHBondContact O-CG 3.38Å; A528-Q532 PolarHBondContact O-N 3.42Å; A528-Q532 VanDerWaalsContact O-N 3.09Å; Y529-Q532 WeakPolarHBondContact O-CB 3.42Å; Y529-Q532 PolarHBondContact O-N 3.04Å; Y529-Q532 VanDerWaalsContact O-N 3.14Å; F530-Q532 PolarHBondContact O-N 2.84Å; Q532-S534 PolarHBondContact O-N 2.94Å
533	H	96.8	Very high	96.7	Very high	38 Å²	38	35.4 Å²	35.4	18%	0.176	19%	0.187	C	C	.	.	S	Bend	trans	-58.9	129.3	174.5	-174.8	-81.9	0	0	0	110.2	Y529 F530 L531 L535 I536 R537 F783	Y529-H533 PolarHBondContact O-N 3.32Å; F530-H533 WeakPolarHBondContact O-CB 3.3Å; F530-H533 PolarHBondContact O-N 3.3Å; F530-H533 VanDerWaalsContact O-N 3.09Å; L531-H533 VanDerWaalsContact C-N 3.3Å; H533-L535 VanDerWaalsContact C-N 3.31Å; H533-L535 PolarHBondContact ND1-N 3.37Å; H533-L535 PolarHBondContact O-N 3.48Å; H533-L535 VanDerWaalsContact O-N 3.14Å; H533-I536 HydrophobicContact CB-CB 4.31Å; H533-I536 HydrophobicContact CB-CD1 4.07Å; H533-I536 HydrophobicContact CB-CG1 4.29Å; H533-I536 WeakPolarHBondContact O-CA 3.45Å; H533-I536 PolarHBondContact O-N 2.85Å; H533-R537 PolarHBondContact O-N 3.44Å; H533-F783 AromaticContact CE1-CD1 3.99Å; H533-F783 AromaticContact ND1-CD1 3.92Å
534	S	94	Very high	96.6	Very high	89 Å²	89	35.4 Å²	35.4	62%	0.622	19%	0.187	S	C	*	.	H	α-helix	trans	-54.3	-40.9	-168.8	60.1	0	0	0	0	114.2	Q532 S538	Q532-S534 PolarHBondContact O-N 2.94Å; S534-S538 PolarHBondContact O-N 3.47Å; S534-S538 VanDerWaalsContact O-N 3.15Å; S534-S538 PolarHBondContact O-OG 2.92Å
535	L	93.6	Very high	96.6	Very high	60 Å²	60	35.7 Å²	35.7	31%	0.314	19%	0.188	S	C	.	.	H	α-helix	trans	-70.3	-35.5	176.2	-68.5	179.2	0	0	0	112.8	H533 S538 F783	H533-L535 VanDerWaalsContact C-N 3.31Å; H533-L535 PolarHBondContact ND1-N 3.37Å; H533-L535 PolarHBondContact O-N 3.48Å; H533-L535 VanDerWaalsContact O-N 3.14Å; L535-S538 WeakPolarHBondContact CA-OG 3.42Å; L535-S538 PolarHBondContact O-N 3.35Å; L535-S538 PolarHBondContact O-OG 3.44Å; L535-F783 HydrophobicContact CB-CD1 3.96Å; L535-F783 HydrophobicContact CB-CE1 4.02Å; L535-F783 HydrophobicContact CD1-CD1 4.43Å
536	I	96.4	Very high	96.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.7	-45	179.2	-67.2	173.5	0	0	0	109.2	F530 L531 H533 S538 I539 C540 I707 F779 F783	F530-I536 HydrophobicContact CB-CD1 4.49Å; F530-I536 VanDerWaalsContact O-CD1 3.24Å; F530-I536 WeakPolarHBondContact O-CD1 3.24Å; L531-I536 HydrophobicContact CD2-CG2 4.07Å; H533-I536 HydrophobicContact CB-CB 4.31Å; H533-I536 HydrophobicContact CB-CD1 4.07Å; H533-I536 HydrophobicContact CB-CG1 4.29Å; H533-I536 WeakPolarHBondContact O-CA 3.45Å; H533-I536 PolarHBondContact O-N 2.85Å; I536-S538 PolarHBondContact O-N 3.05Å; I536-I539 WeakPolarHBondContact O-CG1 3.2Å; I536-I539 PolarHBondContact O-N 3Å; I536-I539 VanDerWaalsContact O-N 3.09Å; I536-C540 WeakPolarHBondContact O-CB 3.19Å; I536-C540 PolarHBondContact O-N 3.34Å; I536-I707 HydrophobicContact CD1-CD1 4.01Å; I536-I707 HydrophobicContact CD1-CG1 4.35Å; I536-I707 HydrophobicContact CG2-CD1 3.92Å; I536-F779 HydrophobicContact CD1-CZ 3.9Å; I536-F783 HydrophobicContact CD1-CB 4.48Å; I536-F783 HydrophobicContact CD1-CD1 4.09Å; I536-F783 HydrophobicContact CD1-CD2 4.05Å; I536-F783 HydrophobicContact CD1-CE1 4.3Å; I536-F783 HydrophobicContact CD1-CE2 4.27Å; I536-F783 HydrophobicContact CD1-CG 3.94Å; I536-F783 HydrophobicContact CD1-CZ 4.39Å; I536-F783 HydrophobicContact CG1-CD1 3.69Å; I536-F783 HydrophobicContact CG1-CD2 4.36Å; I536-F783 HydrophobicContact CG1-CE1 3.58Å; I536-F783 HydrophobicContact CG1-CE2 4.27Å; I536-F783 HydrophobicContact CG1-CG 4.08Å; I536-F783 HydrophobicContact CG1-CZ 3.88Å
537	R	94.2	Very high	96.6	Very high	133 Å²	133	35.7 Å²	35.7	50%	0.502	19%	0.188	S	C	.	.	H	α-helix	trans	-60.3	-29	175.8	-170.5	158.9	-176	74.2	-6.3	113.9	H533 E545	H533-R537 PolarHBondContact O-N 3.44Å; R537-E545 IonicContact NH1-OE1 2.75Å; R537-E545 PolarHBondContact NH1-OE1 3.44Å; R537-E545 IonicContact NH1-OE2 3.61Å; R537-E545 PolarHBondContact NH1-OE2 2.89Å
538	S	93.5	Very high	96.6	Very high	64 Å²	64	35.7 Å²	35.7	45%	0.448	19%	0.188	S	C	.	.	H	α-helix	trans	-80.5	-14.9	178	60.6	0	0	0	0	114.4	S534 L535 I536 L691	S534-S538 PolarHBondContact O-N 3.47Å; S534-S538 VanDerWaalsContact O-N 3.15Å; S534-S538 PolarHBondContact O-OG 2.92Å; L535-S538 WeakPolarHBondContact CA-OG 3.42Å; L535-S538 PolarHBondContact O-N 3.35Å; L535-S538 PolarHBondContact O-OG 3.44Å; I536-S538 PolarHBondContact O-N 3.05Å; S538-L691 WeakPolarHBondContact OG-CD1 3.28Å
539	I	94.3	Very high	96.6	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-109.3	-26.5	179.7	65.3	177.4	0	0	0	113.5	I536 L691 L694 S695 R700 I703	I536-I539 WeakPolarHBondContact O-CG1 3.2Å; I536-I539 PolarHBondContact O-N 3Å; I536-I539 VanDerWaalsContact O-N 3.09Å; I539-L691 HydrophobicContact CG2-CD1 3.44Å; I539-L691 VanDerWaalsContact CG2-CD1 3.44Å; I539-L694 HydrophobicContact CD1-CB 4.06Å; I539-L694 HydrophobicContact CG2-CB 3.96Å; I539-S695 WeakPolarHBondContact CG2-OG 3.5Å; I539-R700 WeakPolarHBondContact O-CD 3.39Å; I539-I703 HydrophobicContact CD1-CD1 3.49Å; I539-I703 VanDerWaalsContact CD1-CD1 3.49Å
540	C	94.7	Very high	96.6	Very high	14 Å²	14	33.3 Å²	33.3	10%	0.095	18%	0.178	C	C	.	.			trans	-79.4	137.6	-178.3	-76.9	0	0	0	0	111.5	I536 D544 E545	I536-C540 WeakPolarHBondContact O-CB 3.19Å; I536-C540 PolarHBondContact O-N 3.34Å; C540-D544 HydrophobicContact CB-CB 4.02Å; C540-E545 HydrophobicContact CB-CG 3.99Å
541	T	95.4	Very high	96.6	Very high	64 Å²	64	33.2 Å²	33.2	39%	0.393	18%	0.178	S	C	.	.			trans	-82	163.2	166.5	66.1	0	0	0	0	110.5	I543 D544 E545	T541-I543 PolarHBondContact O-N 2.66Å; T541-I543 VanDerWaalsContact O-N 3.14Å; T541-D544 WeakPolarHBondContact CB-OD2 3.06Å; T541-D544 PolarHBondContact N-OD2 3.08Å; T541-D544 WeakPolarHBondContact O-CA 3.41Å; T541-D544 VanDerWaalsContact O-CB 3.32Å; T541-D544 WeakPolarHBondContact O-CB 3.34Å; T541-D544 PolarHBondContact O-N 3Å; T541-D544 VanDerWaalsContact OG1-CG 3.25Å; T541-D544 PolarHBondContact OG1-N 2.96Å; T541-D544 PolarHBondContact OG1-OD2 3.13Å; T541-E545 PolarHBondContact O-N 3.37Å
542	N	96.2	Very high	96.7	Very high	95 Å²	95	33.2 Å²	33.2	51%	0.508	18%	0.178	S	C	.	.	H	α-helix	trans	-57	-31.2	174.9	-59	-6.3	0	0	0	112.8	V489 V546	V489-N542 HydrophobicContact CG2-CB 3.7Å; N542-V546 WeakPolarHBondContact O-CB 3.35Å; N542-V546 WeakPolarHBondContact O-CG2 3.23Å; N542-V546 PolarHBondContact O-N 3.11Å
543	I	96.3	Very high	96.8	Very high	47 Å²	47	29.7 Å²	29.7	24%	0.241	16%	0.162	C	C	.	.	H	α-helix	trans	-70.3	-37.9	174	-65	176.8	0	0	0	110.8	V489 T541 A547 T615 M616 Y619	V489-I543 HydrophobicContact CG1-CG1 4.33Å; T541-I543 PolarHBondContact O-N 2.66Å; T541-I543 VanDerWaalsContact O-N 3.14Å; I543-A547 WeakPolarHBondContact O-CB 3.49Å; I543-A547 PolarHBondContact O-N 3.25Å; I543-T615 HydrophobicContact CG2-CG2 4.35Å; I543-M616 HydrophobicContact CG2-CE 4.05Å; I543-M616 HydrophobicContact CG2-SD 4.29Å; I543-Y619 HydrophobicContact CG2-CD2 4.19Å; I543-Y619 HydrophobicContact CG2-CE2 4.09Å
544	D	97.4	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-45.6	175.5	-66.5	-56.1	0	0	0	110.9	C540 T541 T548 Y619 R700 K704	C540-D544 HydrophobicContact CB-CB 4.02Å; T541-D544 WeakPolarHBondContact CB-OD2 3.06Å; T541-D544 PolarHBondContact N-OD2 3.08Å; T541-D544 WeakPolarHBondContact O-CA 3.41Å; T541-D544 VanDerWaalsContact O-CB 3.32Å; T541-D544 WeakPolarHBondContact O-CB 3.34Å; T541-D544 PolarHBondContact O-N 3Å; T541-D544 VanDerWaalsContact OG1-CG 3.25Å; T541-D544 PolarHBondContact OG1-N 2.96Å; T541-D544 PolarHBondContact OG1-OD2 3.13Å; D544-T548 WeakPolarHBondContact O-CB 3.29Å; D544-T548 PolarHBondContact O-N 3.37Å; D544-T548 VanDerWaalsContact O-N 3.11Å; D544-T548 PolarHBondContact O-OG1 3.05Å; D544-Y619 WeakPolarHBondContact OD1-CE2 3.49Å; D544-R700 IonicContact OD2-NE 2.87Å; D544-R700 PolarHBondContact OD2-NE 3.12Å; D544-K704 HydrophobicContact CB-CD 4.11Å; D544-K704 IonicContact OD1-NZ 2.67Å; D544-K704 PolarHBondContact OD1-NZ 3.28Å
545	E	98.3	Very high	97.1	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.028	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-55.3	178.5	-63.5	-176.9	153.4	0	0	111	F484 L531 R537 C540 T541 A547 T548 L549	F484-E545 HydrophobicContact CD1-CB 3.92Å; F484-E545 HydrophobicContact CD1-CG 4.27Å; F484-E545 WeakPolarHBondContact CD1-OE2 3.42Å; F484-E545 HydrophobicContact CE1-CB 4.39Å; F484-E545 HydrophobicContact CE1-CG 4.41Å; L531-E545 HydrophobicContact CD1-CB 4.38Å; L531-E545 HydrophobicContact CD2-CG 4.32Å; R537-E545 IonicContact NH1-OE1 2.75Å; R537-E545 PolarHBondContact NH1-OE1 3.44Å; R537-E545 IonicContact NH1-OE2 3.61Å; R537-E545 PolarHBondContact NH1-OE2 2.89Å; C540-E545 HydrophobicContact CB-CG 3.99Å; T541-E545 PolarHBondContact O-N 3.37Å; E545-A547 PolarHBondContact O-N 3.48Å; E545-T548 PolarHBondContact O-N 3.01Å; E545-T548 VanDerWaalsContact O-N 3.13Å; E545-L549 WeakPolarHBondContact O-CG 3.31Å; E545-L549 PolarHBondContact O-N 3.33Å; E545-L549 VanDerWaalsContact O-N 3.08Å
546	V	98.7	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.1	-41.9	-178.2	173.4	0	0	0	0	111.7	A486 V489 L490 N542 T548 L549 L550 M616	A486-V546 HydrophobicContact CB-CG1 4.26Å; A486-V546 HydrophobicContact CB-CG2 3.91Å; V489-V546 HydrophobicContact CB-CG2 4.01Å; V489-V546 HydrophobicContact CG1-CB 4.28Å; V489-V546 HydrophobicContact CG1-CG2 4.02Å; V489-V546 HydrophobicContact CG2-CG2 4.03Å; L490-V546 HydrophobicContact CD1-CG1 4.28Å; L490-V546 HydrophobicContact CD2-CG1 4.25Å; L490-V546 HydrophobicContact CG-CG1 4.21Å; N542-V546 WeakPolarHBondContact O-CB 3.35Å; N542-V546 WeakPolarHBondContact O-CG2 3.23Å; N542-V546 PolarHBondContact O-N 3.11Å; V546-T548 VanDerWaalsContact C-N 3.27Å; V546-T548 PolarHBondContact O-N 3.35Å; V546-L549 PolarHBondContact O-N 3.27Å; V546-L550 HydrophobicContact CG1-CD1 3.86Å; V546-L550 HydrophobicContact CG1-CG 4.19Å; V546-L550 WeakPolarHBondContact O-CB 3.35Å; V546-L550 VanDerWaalsContact O-CG 3.25Å; V546-L550 WeakPolarHBondContact O-CG 3.5Å; V546-L550 PolarHBondContact O-N 3.09Å; V546-M616 HydrophobicContact CG1-CE 4.19Å; V546-M616 HydrophobicContact CG1-SD 4.41Å
547	A	98.7	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-37	176.5	0	0	0	0	0	112.3	I543 E545 A551 M616 Y619 I620 M623	I543-A547 WeakPolarHBondContact O-CB 3.49Å; I543-A547 PolarHBondContact O-N 3.25Å; E545-A547 PolarHBondContact O-N 3.48Å; A547-A551 WeakPolarHBondContact O-CB 3.16Å; A547-A551 PolarHBondContact O-N 3.05Å; A547-M616 HydrophobicContact CB-SD 3.6Å; A547-Y619 HydrophobicContact CB-CD2 3.97Å; A547-Y619 HydrophobicContact CB-CG 4.37Å; A547-I620 HydrophobicContact CB-CG1 4.31Å; A547-M623 VanDerWaalsContact C-CE 3.47Å; A547-M623 HydrophobicContact CB-CE 4.03Å; A547-M623 VanDerWaalsContact O-CE 3.27Å; A547-M623 WeakPolarHBondContact O-CE 3.5Å
548	T	98.8	Very high	97.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.2	-43.8	-179.5	-56.4	0	0	0	0	110.7	L531 D544 E545 V546 A551 A552 M623 I707	L531-T548 HydrophobicContact CD1-CG2 4.19Å; L531-T548 HydrophobicContact CD2-CG2 4.44Å; D544-T548 WeakPolarHBondContact O-CB 3.29Å; D544-T548 PolarHBondContact O-N 3.37Å; D544-T548 VanDerWaalsContact O-N 3.11Å; D544-T548 PolarHBondContact O-OG1 3.05Å; E545-T548 PolarHBondContact O-N 3.01Å; E545-T548 VanDerWaalsContact O-N 3.13Å; V546-T548 VanDerWaalsContact C-N 3.27Å; V546-T548 PolarHBondContact O-N 3.35Å; T548-A551 PolarHBondContact O-N 3.24Å; T548-A552 PolarHBondContact O-N 2.88Å; T548-M623 HydrophobicContact CG2-SD 4.01Å; T548-I707 HydrophobicContact CG2-CG2 3.97Å
549	L	98.9	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-42.8	176.1	-62.3	171.3	0	0	0	111.8	I480 L481 F484 L524 A528 L531 E545 V546 A551 A552 I553	I480-L549 HydrophobicContact CG2-CD1 4.06Å; I480-L549 HydrophobicContact CG2-CD2 3.8Å; I480-L549 HydrophobicContact CG2-CG 4.5Å; L481-L549 HydrophobicContact CD2-CB 3.77Å; L481-L549 HydrophobicContact CD2-CD1 4Å; F484-L549 HydrophobicContact CB-CD1 3.75Å; F484-L549 HydrophobicContact CD1-CD1 4.19Å; F484-L549 HydrophobicContact CD2-CD1 3.6Å; F484-L549 HydrophobicContact CE2-CD1 4.21Å; F484-L549 HydrophobicContact CG-CD1 3.58Å; L524-L549 HydrophobicContact CD1-CB 3.93Å; L524-L549 HydrophobicContact CD1-CD2 3.67Å; L524-L549 HydrophobicContact CD1-CG 4.39Å; A528-L549 HydrophobicContact CB-CD2 3.93Å; L531-L549 HydrophobicContact CD1-CD1 4.41Å; L531-L549 HydrophobicContact CD1-CD2 3.8Å; L531-L549 HydrophobicContact CD1-CG 3.83Å; E545-L549 WeakPolarHBondContact O-CG 3.31Å; E545-L549 PolarHBondContact O-N 3.33Å; E545-L549 VanDerWaalsContact O-N 3.08Å; V546-L549 PolarHBondContact O-N 3.27Å; L549-A551 VanDerWaalsContact C-N 3.34Å; L549-A551 PolarHBondContact O-N 3.43Å; L549-A552 PolarHBondContact O-N 2.96Å; L549-I553 WeakPolarHBondContact O-CD1 3.37Å; L549-I553 WeakPolarHBondContact O-CG1 3.43Å; L549-I553 PolarHBondContact O-N 3.12Å
550	L	98.9	Very high	98	Very high	2 Å²	2	16 Å²	16	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-38.9	175.7	-67.9	176.5	0	0	0	111.9	L481 L490 W500 V546 I553 V554 I604 F605 M616 I620	L481-L550 HydrophobicContact CD1-CD2 4.43Å; L490-L550 HydrophobicContact CD2-CD1 4.46Å; W500-L550 HydrophobicContact CH2-CD2 3.55Å; W500-L550 HydrophobicContact CZ2-CD2 4.31Å; W500-L550 HydrophobicContact CZ3-CD2 3.68Å; V546-L550 HydrophobicContact CG1-CD1 3.86Å; V546-L550 HydrophobicContact CG1-CG 4.19Å; V546-L550 WeakPolarHBondContact O-CB 3.35Å; V546-L550 VanDerWaalsContact O-CG 3.25Å; V546-L550 WeakPolarHBondContact O-CG 3.5Å; V546-L550 PolarHBondContact O-N 3.09Å; L550-I553 HydrophobicContact CD2-CD1 4.46Å; L550-I553 PolarHBondContact O-N 3.41Å; L550-V554 VanDerWaalsContact O-CG2 3.32Å; L550-V554 WeakPolarHBondContact O-CG2 3.35Å; L550-V554 PolarHBondContact O-N 3.41Å; L550-I604 HydrophobicContact CD1-CD1 3.89Å; L550-I604 HydrophobicContact CD2-CD1 3.72Å; L550-I604 HydrophobicContact CG-CD1 4.46Å; L550-F605 HydrophobicContact CD1-CE1 3.9Å; L550-F605 HydrophobicContact CD1-CZ 4.21Å; L550-M616 HydrophobicContact CD1-SD 4.34Å; L550-I620 HydrophobicContact CB-CD1 3.82Å; L550-I620 HydrophobicContact CB-CG1 4.21Å; L550-I620 HydrophobicContact CD1-CD1 4.01Å
551	A	98.9	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-43.7	174.4	0	0	0	0	0	111.9	A547 T548 L549 I553 V554 H555 I620 M623 V624	A547-A551 WeakPolarHBondContact O-CB 3.16Å; A547-A551 PolarHBondContact O-N 3.05Å; T548-A551 PolarHBondContact O-N 3.24Å; L549-A551 VanDerWaalsContact C-N 3.34Å; L549-A551 PolarHBondContact O-N 3.43Å; A551-I553 VanDerWaalsContact C-N 3.33Å; A551-I553 PolarHBondContact O-N 2.91Å; A551-V554 PolarHBondContact O-N 2.88Å; A551-H555 WeakPolarHBondContact O-CA 3.38Å; A551-H555 WeakPolarHBondContact O-CB 3.34Å; A551-H555 PolarHBondContact O-N 3.25Å; A551-I620 HydrophobicContact CB-CG2 4.31Å; A551-M623 HydrophobicContact CB-CB 3.74Å; A551-M623 HydrophobicContact CB-CE 3.81Å; A551-M623 HydrophobicContact CB-SD 4.25Å; A551-V624 HydrophobicContact CB-CG2 4.36Å
552	A	98.9	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.9	-42.5	175.6	0	0	0	0	0	112.7	V523 L524 T548 L549 V554 H555 I708	V523-A552 HydrophobicContact CG1-CB 4.02Å; L524-A552 HydrophobicContact CB-CB 4.31Å; T548-A552 PolarHBondContact O-N 2.88Å; L549-A552 PolarHBondContact O-N 2.96Å; A552-V554 PolarHBondContact O-N 2.93Å; A552-H555 PolarHBondContact O-ND1 2.99Å; A552-I708 HydrophobicContact CB-CD1 3.81Å
553	I	99	Very high	98.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.6	-31.8	178	-73.5	158.7	0	0	0	112.6	L473 L481 W500 L501 I504 Y508 L524 L549 L550 A551	L473-I553 HydrophobicContact CD1-CG1 4.19Å; L473-I553 HydrophobicContact CD1-CG2 4.42Å; L473-I553 HydrophobicContact CD2-CG2 4.3Å; L481-I553 HydrophobicContact CD1-CD1 3.82Å; L481-I553 HydrophobicContact CG-CD1 4.33Å; W500-I553 HydrophobicContact CH2-CB 4.21Å; W500-I553 HydrophobicContact CH2-CD1 4.47Å; W500-I553 HydrophobicContact CH2-CG2 3.56Å; W500-I553 HydrophobicContact CZ3-CD1 4.15Å; W500-I553 HydrophobicContact CZ3-CG2 3.76Å; L501-I553 HydrophobicContact CD2-CD1 4Å; L501-I553 HydrophobicContact CD2-CG2 4.17Å; I504-I553 HydrophobicContact CG2-CG2 3.87Å; Y508-I553 WeakPolarHBondContact CE2-O 3.39Å; Y508-I553 PolarHBondContact OH-O 3.06Å; Y508-I553 VanDerWaalsContact OH-O 3.06Å; L524-I553 HydrophobicContact CB-CG1 4.4Å; L524-I553 HydrophobicContact CD1-CD1 4.05Å; L524-I553 HydrophobicContact CD1-CG1 3.92Å; L524-I553 HydrophobicContact CD2-CD1 4.12Å; L524-I553 HydrophobicContact CD2-CG1 3.81Å; L524-I553 HydrophobicContact CG-CG1 4.23Å; L549-I553 WeakPolarHBondContact O-CD1 3.37Å; L549-I553 WeakPolarHBondContact O-CG1 3.43Å; L549-I553 PolarHBondContact O-N 3.12Å; L550-I553 HydrophobicContact CD2-CD1 4.46Å; L550-I553 PolarHBondContact O-N 3.41Å; A551-I553 VanDerWaalsContact C-N 3.33Å; A551-I553 PolarHBondContact O-N 2.91Å
554	V	98.8	Very high	97.9	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.018	5%	0.048	C	C	.	.	H	α-helix	trans	-114.1	-2.7	-170.1	-56.6	0	0	0	0	115.3	W500 I504 L550 A551 A552 D556 V557 S592 I620 V624	W500-V554 HydrophobicContact CH2-CG1 3.89Å; W500-V554 HydrophobicContact CZ2-CG1 3.75Å; I504-V554 HydrophobicContact CD1-CG1 4.1Å; I504-V554 HydrophobicContact CG1-CG1 4.32Å; I504-V554 HydrophobicContact CG2-CG1 4.17Å; L550-V554 VanDerWaalsContact O-CG2 3.32Å; L550-V554 WeakPolarHBondContact O-CG2 3.35Å; L550-V554 PolarHBondContact O-N 3.41Å; A551-V554 PolarHBondContact O-N 2.88Å; A552-V554 PolarHBondContact O-N 2.93Å; V554-D556 PolarHBondContact O-N 3.33Å; V554-V557 HydrophobicContact CB-CG1 4.28Å; V554-V557 WeakPolarHBondContact O-CG1 3.23Å; V554-V557 PolarHBondContact O-N 2.82Å; V554-V557 VanDerWaalsContact O-N 3.14Å; V554-S592 WeakPolarHBondContact CB-OG 3.32Å; V554-S592 WeakPolarHBondContact CG2-OG 3.18Å; V554-I620 HydrophobicContact CG2-CG2 4.16Å; V554-V624 HydrophobicContact CG2-CG2 4.17Å
555	H	98.8	Very high	97.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.9	-166.1	74.7	-70.8	0	0	0	114.3	H519 A551 A552 H588 V624 T627 D712	H519-H555 AromaticContact CD2-CE1 3.9Å; H519-H555 AromaticContact CD2-NE2 3.79Å; H519-H555 AromaticContact NE2-CE1 3.64Å; H519-H555 AromaticContact NE2-NE2 3.16Å; H519-H555 PolarHBondContact NE2-NE2 3.43Å; H519-H555 VanDerWaalsContact NE2-NE2 3.16Å; A551-H555 WeakPolarHBondContact O-CA 3.38Å; A551-H555 WeakPolarHBondContact O-CB 3.34Å; A551-H555 PolarHBondContact O-N 3.25Å; A552-H555 PolarHBondContact O-ND1 2.99Å; H555-H588 WeakPolarHBondContact O-CB 3.4Å; H555-H588 PolarHBondContact O-CD2 3.12Å; H555-V624 HydrophobicContact CB-CG2 4.3Å; H555-T627 HydrophobicContact CB-CG2 4.26Å; H555-D712 IonicContact CD2-OD1 3.49Å; H555-D712 IonicContact NE2-OD1 3.44Å; H555-D712 PolarHBondContact NE2-OD1 3.49Å
556	D	98.7	Very high	97.5	Very high	11 Å²	11	9 Å²	9	6%	0.059	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	17.9	-179	-75.3	-15.2	0	0	0	113.2	Y508 H515 H519 V554 D558 H559 H588	Y508-D556 HydrophobicContact CE1-CB 3.77Å; Y508-D556 WeakPolarHBondContact CE1-O 3.28Å; Y508-D556 PolarHBondContact OH-N 2.07Å; H515-D556 IonicContact CD2-OD2 3.41Å; H515-D556 PolarHBondContact CD2-OD2 3.09Å; H515-D556 VanDerWaalsContact CD2-OD2 3.3Å; H519-D556 IonicContact CD2-OD2 2.81Å; H519-D556 PolarHBondContact CD2-OD2 3.02Å; H519-D556 IonicContact NE2-OD2 3.1Å; H519-D556 PolarHBondContact NE2-OD2 3.42Å; V554-D556 PolarHBondContact O-N 3.33Å; D556-D558 PolarHBondContact O-N 2.81Å; D556-H559 HydrophobicContact CB-CB 4.4Å; D556-H559 VanDerWaalsContact O-CB 3.23Å; D556-H559 WeakPolarHBondContact O-CB 3.46Å; D556-H559 PolarHBondContact O-N 2.86Å; D556-H559 VanDerWaalsContact O-N 3.12Å; D556-H588 IonicContact OD1-CD2 2.75Å; D556-H588 IonicContact OD1-NE2 2.71Å
557	V	98.1	Very high	97.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	134.4	-176.8	69.1	0	0	0	0	110.5	I504 H507 Y508 V554 H559 H588 V591 S592	I504-V557 HydrophobicContact CG2-CG2 4.07Å; H507-V557 HydrophobicContact CB-CG2 3.7Å; Y508-V557 HydrophobicContact CD2-CB 4.37Å; Y508-V557 HydrophobicContact CD2-CG2 4.14Å; Y508-V557 HydrophobicContact CE2-CB 3.82Å; Y508-V557 HydrophobicContact CE2-CG2 4.02Å; Y508-V557 VanDerWaalsContact CZ-CA 3.49Å; Y508-V557 PolarHBondContact OH-N 3.45Å; V554-V557 HydrophobicContact CB-CG1 4.28Å; V554-V557 WeakPolarHBondContact O-CG1 3.23Å; V554-V557 PolarHBondContact O-N 2.82Å; V554-V557 VanDerWaalsContact O-N 3.14Å; V557-H559 VanDerWaalsContact C-N 3.29Å; V557-H559 PolarHBondContact O-N 2.97Å; V557-H588 HydrophobicContact CG1-CB 4.46Å; V557-H588 PolarHBondContact O-ND1 3.45Å; V557-V591 HydrophobicContact CG1-CG1 3.65Å; V557-S592 WeakPolarHBondContact CG1-OG 3.35Å
558	D	97.5	Very high	96.7	Very high	46 Å²	46	9.8 Å²	9.8	25%	0.246	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	28.1	-174	-160.2	41.5	0	0	0	114.4	H507 H509 D556 H587 V591	H507-D558 VanDerWaalsContact O-CA 3.24Å; H507-D558 WeakPolarHBondContact O-CA 3.42Å; H507-D558 PolarHBondContact O-N 3.23Å; H509-D558 IonicContact CD2-OD1 2.84Å; H509-D558 IonicContact CE1-OD1 3.6Å; H509-D558 IonicContact NE2-OD1 3.67Å; H509-D558 PolarHBondContact NE2-OD1 2.67Å; D556-D558 PolarHBondContact O-N 2.81Å; D558-H587 IonicContact OD2-CD2 3.63Å; D558-H587 IonicContact OD2-CE1 2.87Å; D558-H587 PolarHBondContact OD2-CE1 2.75Å; D558-H587 IonicContact OD2-NE2 3.89Å; D558-H587 PolarHBondContact OD2-NE2 3.03Å; D558-V591 HydrophobicContact CB-CG1 4.21Å
559	H	98.6	Very high	96.3	Very high	8 Å²	8	11.4 Å²	11.4	4%	0.037	6%	0.064	C	C	.	.			trans	-64.8	130.7	171.3	-165.5	-81.3	0	0	0	111.6	N512 H515 D556 V557 G561 K562 H588 E733	N512-H559 PolarHBondContact ND2-O 3.36Å; H515-H559 HydrophobicContact CB-CB 3.79Å; H515-H559 VanDerWaalsContact CB-ND1 3.31Å; H515-H559 WeakPolarHBondContact CB-ND1 3.36Å; H515-H559 AromaticContact CD2-CD2 3.82Å; H515-H559 AromaticContact CD2-CE1 3.84Å; H515-H559 AromaticContact CD2-NE2 3.72Å; H515-H559 AromaticContact CE1-CE1 3.77Å; H515-H559 AromaticContact CG-CD2 3.97Å; H515-H559 AromaticContact CG-CE1 3.49Å; H515-H559 VanDerWaalsContact CG-CE1 3.49Å; H515-H559 AromaticContact CG-CG 3.79Å; H515-H559 AromaticContact CG-ND1 3.45Å; H515-H559 AromaticContact CG-NE2 3.84Å; H515-H559 AromaticContact ND1-CE1 3.44Å; H515-H559 PolarHBondContact ND1-CE1 2.87Å; H515-H559 AromaticContact ND1-ND1 3.74Å; H515-H559 AromaticContact NE2-NE2 3.88Å; D556-H559 HydrophobicContact CB-CB 4.4Å; D556-H559 VanDerWaalsContact O-CB 3.23Å; D556-H559 WeakPolarHBondContact O-CB 3.46Å; D556-H559 PolarHBondContact O-N 2.86Å; D556-H559 VanDerWaalsContact O-N 3.12Å; V557-H559 VanDerWaalsContact C-N 3.29Å; V557-H559 PolarHBondContact O-N 2.97Å; H559-G561 VanDerWaalsContact C-N 3.28Å; H559-G561 PolarHBondContact ND1-N 3.43Å; H559-G561 PolarHBondContact O-N 3.37Å; H559-K562 PolarHBondContact CE1-O 3.3Å; H559-H588 AromaticContact CD2-CE1 3.81Å; H559-H588 AromaticContact CD2-NE2 3.47Å; H559-H588 PolarHBondContact CD2-NE2 3.2Å; H559-E733 IonicContact CE1-OE1 3.56Å
560	P	97.4	Very high	96.1	Very high	40 Å²	40	12.1 Å²	12.1	26%	0.26	7%	0.068	S	C	.	.			trans	-85.3	5.4	-175.3	35	-36.9	0	0	0	114.3	K562 L567 L584	P560-K562 HydrophobicContact CG-CB 4.36Å; P560-L567 HydrophobicContact CG-CD1 4.46Å; P560-L567 HydrophobicContact CG-CD2 4.21Å; P560-L584 VanDerWaalsContact CD-CD2 3.4Å; P560-L584 HydrophobicContact CG-CD2 3.95Å
561	G	97.9	Very high	95.7	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	9%	0.091	C	C	.	.	S	Bend	trans	70.1	31.2	-175.2	0	0	0	0	0	113.5	N512 H559 E733	N512-G561 PolarHBondContact ND2-N 3.43Å; H559-G561 VanDerWaalsContact C-N 3.28Å; H559-G561 PolarHBondContact ND1-N 3.43Å; H559-G561 PolarHBondContact O-N 3.37Å; G561-E733 VanDerWaalsContact CA-OE1 3.24Å; G561-E733 WeakPolarHBondContact CA-OE1 3.35Å
562	K	97.2	Very high	95.4	Very high	24 Å²	24	18.4 Å²	18.4	10%	0.104	10%	0.102	C	C	.	.	S	Bend	trans	-141.5	148.2	-178.1	-54.9	-66.8	164.3	-179.4	0	110.1	H559 P560 F566 L567 L584 C736 Q737 E740	H559-K562 PolarHBondContact CE1-O 3.3Å; P560-K562 HydrophobicContact CG-CB 4.36Å; K562-F566 HydrophobicContact CB-CB 4.24Å; K562-F566 HydrophobicContact CB-CD1 3.48Å; K562-F566 VanDerWaalsContact CB-CD1 3.48Å; K562-F566 HydrophobicContact CB-CE1 4.05Å; K562-F566 HydrophobicContact CB-CG 3.98Å; K562-F566 HydrophobicContact CD-CD1 3.91Å; K562-F566 HydrophobicContact CD-CD2 4.33Å; K562-F566 HydrophobicContact CD-CE1 3.81Å; K562-F566 HydrophobicContact CD-CE2 4.23Å; K562-F566 HydrophobicContact CD-CG 4.18Å; K562-F566 HydrophobicContact CD-CZ 3.97Å; K562-F566 HydrophobicContact CG-CD1 3.62Å; K562-F566 HydrophobicContact CG-CE1 3.64Å; K562-F566 HydrophobicContact CG-CG 4.29Å; K562-F566 HydrophobicContact CG-CZ 4.3Å; K562-L567 HydrophobicContact CB-CD2 4.35Å; K562-L584 WeakPolarHBondContact O-CD1 3.33Å; K562-C736 PolarHBondContact NZ-O 2.85Å; K562-Q737 HydrophobicContact CD-CB 4.03Å; K562-Q737 HydrophobicContact CD-CG 4.04Å; K562-E740 WeakPolarHBondContact CE-OE2 3.44Å; K562-E740 IonicContact NZ-OE2 2.77Å; K562-E740 PolarHBondContact NZ-OE2 3.5Å
563	T	95.9	Very high	94.9	Very high	14 Å²	14	22.3 Å²	22.3	9%	0.086	13%	0.128	C	C	.	.			trans	-78.7	159.8	179.1	66.8	0	0	0	0	113.1	F566 L567 Y734 Q737	T563-F566 WeakPolarHBondContact O-CB 3.2Å; T563-F566 PolarHBondContact O-N 3.47Å; T563-L567 PolarHBondContact O-N 2.99Å; T563-Y734 HydrophobicContact CG2-CD1 4.42Å; T563-Y734 HydrophobicContact CG2-CE1 3.85Å; T563-Q737 PolarHBondContact OG1-NE2 3.24Å; T563-Q737 PolarHBondContact OG1-OE1 2.81Å
564	N	91.4	Very high	94.1	Very high	26 Å²	26	23.9 Å²	23.9	14%	0.139	14%	0.136	C	C	.	.	H	α-helix	trans	-49.8	-48.4	174.3	-81.3	-22.8	0	0	0	112.5	F566 L567 V568 V583 L584 E585	N564-F566 VanDerWaalsContact C-N 3.31Å; N564-F566 PolarHBondContact O-N 2.81Å; N564-L567 PolarHBondContact O-N 3.29Å; N564-L567 VanDerWaalsContact O-N 3.15Å; N564-V568 WeakPolarHBondContact O-CG2 3.49Å; N564-V568 PolarHBondContact O-N 3.15Å; N564-V583 WeakPolarHBondContact OD1-CB 3.14Å; N564-L584 WeakPolarHBondContact OD1-CB 3.49Å; N564-L584 VanDerWaalsContact OD1-CD1 3.26Å; N564-L584 WeakPolarHBondContact OD1-CD1 3.37Å; N564-L584 WeakPolarHBondContact OD1-CG 3.39Å; N564-L584 PolarHBondContact OD1-N 2.86Å; N564-E585 PolarHBondContact ND2-OE2 2.76Å
565	P	90.4	Very high	93.3	Very high	7 Å²	7	23.7 Å²	23.7	5%	0.045	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-36.1	176.1	-28.3	36.7	0	0	0	114.7	G404 V568 N569 V749	G404-P565 WeakPolarHBondContact O-CG 3.49Å; P565-V568 PolarHBondContact O-N 3.36Å; P565-N569 VanDerWaalsContact O-CB 3.26Å; P565-N569 WeakPolarHBondContact O-CB 3.29Å; P565-N569 VanDerWaalsContact O-CG 3.24Å; P565-N569 PolarHBondContact O-N 2.91Å; P565-N569 PolarHBondContact O-ND2 3.21Å; P565-V749 HydrophobicContact CB-CB 4.46Å; P565-V749 HydrophobicContact CB-CG1 3.71Å; P565-V749 HydrophobicContact CB-CG2 3.84Å; P565-V749 HydrophobicContact CG-CG1 4.15Å
566	F	95	Very high	92.3	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-46.4	174.5	173.3	-85	0	0	0	111.3	K562 T563 N564 V568 N569 S570 Q737 E740 E741 L746	K562-F566 HydrophobicContact CB-CB 4.24Å; K562-F566 HydrophobicContact CB-CD1 3.48Å; K562-F566 VanDerWaalsContact CB-CD1 3.48Å; K562-F566 HydrophobicContact CB-CE1 4.05Å; K562-F566 HydrophobicContact CB-CG 3.98Å; K562-F566 HydrophobicContact CD-CD1 3.91Å; K562-F566 HydrophobicContact CD-CD2 4.33Å; K562-F566 HydrophobicContact CD-CE1 3.81Å; K562-F566 HydrophobicContact CD-CE2 4.23Å; K562-F566 HydrophobicContact CD-CG 4.18Å; K562-F566 HydrophobicContact CD-CZ 3.97Å; K562-F566 HydrophobicContact CG-CD1 3.62Å; K562-F566 HydrophobicContact CG-CE1 3.64Å; K562-F566 HydrophobicContact CG-CG 4.29Å; K562-F566 HydrophobicContact CG-CZ 4.3Å; T563-F566 WeakPolarHBondContact O-CB 3.2Å; T563-F566 PolarHBondContact O-N 3.47Å; N564-F566 VanDerWaalsContact C-N 3.31Å; N564-F566 PolarHBondContact O-N 2.81Å; F566-V568 VanDerWaalsContact C-N 3.32Å; F566-V568 PolarHBondContact O-N 3.43Å; F566-N569 PolarHBondContact O-N 3.09Å; F566-S570 WeakPolarHBondContact O-CB 3.46Å; F566-S570 PolarHBondContact O-N 3.24Å; F566-S570 PolarHBondContact O-OG 3.36Å; F566-Q737 HydrophobicContact CB-CG 4.24Å; F566-Q737 HydrophobicContact CD2-CG 3.68Å; F566-Q737 HydrophobicContact CE2-CG 4.35Å; F566-Q737 HydrophobicContact CG-CG 4.14Å; F566-E740 HydrophobicContact CE2-CB 4.39Å; F566-E740 HydrophobicContact CE2-CG 4.13Å; F566-E740 HydrophobicContact CZ-CG 4.07Å; F566-E741 HydrophobicContact CD2-CG 3.55Å; F566-E741 HydrophobicContact CE2-CG 3.83Å; F566-L746 HydrophobicContact CD2-CD1 4.45Å; F566-L746 HydrophobicContact CE2-CD1 3.97Å; F566-L746 HydrophobicContact CZ-CD1 4.4Å
567	L	92.3	Very high	91.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-43.2	179.4	-61.6	179	0	0	0	111	P560 K562 T563 N564 S570 N571 D572 A575 V583 L584	P560-L567 HydrophobicContact CG-CD1 4.46Å; P560-L567 HydrophobicContact CG-CD2 4.21Å; K562-L567 HydrophobicContact CB-CD2 4.35Å; T563-L567 PolarHBondContact O-N 2.99Å; N564-L567 PolarHBondContact O-N 3.29Å; N564-L567 VanDerWaalsContact O-N 3.15Å; L567-S570 PolarHBondContact O-OG 2.73Å; L567-S570 VanDerWaalsContact O-OG 3.12Å; L567-N571 PolarHBondContact O-N 3.45Å; L567-D572 HydrophobicContact CB-CB 3.9Å; L567-D572 HydrophobicContact CD2-CB 3.8Å; L567-D572 HydrophobicContact CG-CB 4.44Å; L567-D572 WeakPolarHBondContact O-CB 3.26Å; L567-D572 PolarHBondContact O-N 3.3Å; L567-A575 HydrophobicContact CB-CB 4.18Å; L567-A575 WeakPolarHBondContact O-CB 3.16Å; L567-V583 HydrophobicContact CD1-CG1 3.91Å; L567-L584 HydrophobicContact CD1-CD1 4.32Å; L567-L584 HydrophobicContact CD1-CD2 3.75Å; L567-L584 HydrophobicContact CD1-CG 3.81Å
568	V	88.7	Confident	90.5	Very high	14 Å²	14	34.7 Å²	34.7	9%	0.085	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-51.1	176.6	176.8	0	0	0	0	111.2	S409 N564 P565 F566 S570 N571 A575 D580 V583	S409-V568 WeakPolarHBondContact OG-CG1 3.3Å; N564-V568 WeakPolarHBondContact O-CG2 3.49Å; N564-V568 PolarHBondContact O-N 3.15Å; P565-V568 PolarHBondContact O-N 3.36Å; F566-V568 VanDerWaalsContact C-N 3.32Å; F566-V568 PolarHBondContact O-N 3.43Å; V568-S570 PolarHBondContact O-N 3.33Å; V568-N571 PolarHBondContact O-N 3.03Å; V568-N571 VanDerWaalsContact O-N 3.09Å; V568-A575 HydrophobicContact CG2-CB 4.19Å; V568-D580 HydrophobicContact CG1-CB 4.21Å; V568-D580 HydrophobicContact CG2-CB 3.74Å; V568-V583 HydrophobicContact CG2-CG2 4.49Å
569	N	91.9	Very high	90	Very high	34 Å²	34	38.1 Å²	38.1	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-31.5	-178.1	-76.4	-27.2	0	0	0	113	P565 F566 N571	P565-N569 VanDerWaalsContact O-CB 3.26Å; P565-N569 WeakPolarHBondContact O-CB 3.29Å; P565-N569 VanDerWaalsContact O-CG 3.24Å; P565-N569 PolarHBondContact O-N 2.91Å; P565-N569 PolarHBondContact O-ND2 3.21Å; F566-N569 PolarHBondContact O-N 3.09Å; N569-N571 VanDerWaalsContact C-N 3.34Å
570	S	93.1	Very high	89.2	Confident	14 Å²	14	41.3 Å²	41.3	10%	0.098	22%	0.224	C	C	.	.	H	α-helix	trans	-84.7	-4.4	178.8	65.2	0	0	0	0	114.3	F566 L567 V568 D572	F566-S570 WeakPolarHBondContact O-CB 3.46Å; F566-S570 PolarHBondContact O-N 3.24Å; F566-S570 PolarHBondContact O-OG 3.36Å; L567-S570 PolarHBondContact O-OG 2.73Å; L567-S570 VanDerWaalsContact O-OG 3.12Å; V568-S570 PolarHBondContact O-N 3.33Å; S570-D572 VanDerWaalsContact C-N 3.27Å
571	N	91.4	Very high	88.5	Confident	90 Å²	90	44.5 Å²	44.5	48%	0.481	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	44.6	-169	-46.3	-74.5	0	0	0	112	R413 L567 V568 N569	R413-N571 PolarHBondContact NH1-OD1 3.34Å; L567-N571 PolarHBondContact O-N 3.45Å; V568-N571 PolarHBondContact O-N 3.03Å; V568-N571 VanDerWaalsContact O-N 3.09Å; N569-N571 VanDerWaalsContact C-N 3.34Å
572	D	91.8	Very high	87.9	Confident	45 Å²	45	44.9 Å²	44.9	24%	0.241	24%	0.241	C	C	.	.			trans	-58.8	142.9	178.1	-169.2	-87.3	0	0	0	110.9	L567 S570 L574 A575 I576	L567-D572 HydrophobicContact CB-CB 3.9Å; L567-D572 HydrophobicContact CD2-CB 3.8Å; L567-D572 HydrophobicContact CG-CB 4.44Å; L567-D572 WeakPolarHBondContact O-CB 3.26Å; L567-D572 PolarHBondContact O-N 3.3Å; S570-D572 VanDerWaalsContact C-N 3.27Å; D572-L574 PolarHBondContact O-N 3.22Å; D572-L574 VanDerWaalsContact O-N 3.14Å; D572-L574 WeakPolarHBondContact OD1-CB 3.37Å; D572-L574 PolarHBondContact OD1-N 2.73Å; D572-A575 HydrophobicContact CB-CB 4.42Å; D572-A575 WeakPolarHBondContact O-CB 3.42Å; D572-A575 PolarHBondContact O-N 2.87Å; D572-I576 PolarHBondContact O-N 3.49Å
573	P	89.9	Confident	87.3	Confident	82 Å²	82	43.8 Å²	43.8	53%	0.532	24%	0.236	S	C	.	.	H	α-helix	trans	-51.4	-33.7	175.7	-29.4	37	0	0	0	114.6	L577	P573-L577 VanDerWaalsContact O-CB 3.29Å; P573-L577 WeakPolarHBondContact O-CB 3.3Å; P573-L577 PolarHBondContact O-N 3.17Å
574	L	81.7	Confident	87.3	Confident	32 Å²	32	43.4 Å²	43.4	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-43.2	175.4	-64.7	-178	0	0	0	111.5	D572 I576 L577 Y578 V583 H587	D572-L574 PolarHBondContact O-N 3.22Å; D572-L574 VanDerWaalsContact O-N 3.14Å; D572-L574 WeakPolarHBondContact OD1-CB 3.37Å; D572-L574 PolarHBondContact OD1-N 2.73Å; L574-I576 VanDerWaalsContact C-N 3.3Å; L574-I576 PolarHBondContact O-N 3.2Å; L574-L577 PolarHBondContact O-N 3.04Å; L574-L577 VanDerWaalsContact O-N 3.15Å; L574-Y578 HydrophobicContact CD2-CE2 4.35Å; L574-Y578 VanDerWaalsContact O-CD2 3.31Å; L574-Y578 WeakPolarHBondContact O-CD2 3.2Å; L574-Y578 PolarHBondContact O-N 2.96Å; L574-V583 VanDerWaalsContact C-CG1 3.47Å; L574-V583 HydrophobicContact CB-CG1 3.71Å; L574-H587 HydrophobicContact CD1-CB 4.49Å
575	A	81.3	Confident	87.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-42.3	177.3	0	0	0	0	0	111.2	L567 V568 D572 N579 D580 V583	L567-A575 HydrophobicContact CB-CB 4.18Å; L567-A575 WeakPolarHBondContact O-CB 3.16Å; V568-A575 HydrophobicContact CG2-CB 4.19Å; D572-A575 HydrophobicContact CB-CB 4.42Å; D572-A575 WeakPolarHBondContact O-CB 3.42Å; D572-A575 PolarHBondContact O-N 2.87Å; A575-N579 WeakPolarHBondContact O-CA 3.37Å; A575-N579 PolarHBondContact O-N 2.96Å; A575-D580 WeakPolarHBondContact CB-OD1 3.33Å; A575-D580 PolarHBondContact O-N 3.43Å; A575-V583 HydrophobicContact CB-CG1 4.39Å; A575-V583 HydrophobicContact CB-CG2 4.35Å
576	I	78.8	Confident	87.6	Confident	93 Å²	93	44.2 Å²	44.2	48%	0.477	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-44.2	173.8	-61.1	169.9	0	0	0	111.3	D572 L574 N579	D572-I576 PolarHBondContact O-N 3.49Å; L574-I576 VanDerWaalsContact C-N 3.3Å; L574-I576 PolarHBondContact O-N 3.2Å; I576-N579 PolarHBondContact O-N 2.97Å
577	L	78.9	Confident	87.5	Confident	101 Å²	101	44.9 Å²	44.9	53%	0.529	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-43.4	-178.3	178.2	62.7	0	0	0	112.2	P573 L574	P573-L577 VanDerWaalsContact O-CB 3.29Å; P573-L577 WeakPolarHBondContact O-CB 3.3Å; P573-L577 PolarHBondContact O-N 3.17Å; L574-L577 PolarHBondContact O-N 3.04Å; L574-L577 VanDerWaalsContact O-N 3.15Å
578	Y	78.8	Confident	87.8	Confident	47 Å²	47	44.8 Å²	44.8	18%	0.184	24%	0.242	C	C	.	.	H	α-helix	trans	-94.3	7.5	-178.8	-64.8	-69.3	0	0	0	113.6	L574 D580 I581 V583 S586 H587 A590	L574-Y578 HydrophobicContact CD2-CE2 4.35Å; L574-Y578 VanDerWaalsContact O-CD2 3.31Å; L574-Y578 WeakPolarHBondContact O-CD2 3.2Å; L574-Y578 PolarHBondContact O-N 2.96Å; Y578-D580 VanDerWaalsContact C-N 3.27Å; Y578-D580 PolarHBondContact O-N 3.33Å; Y578-I581 PolarHBondContact O-N 3.32Å; Y578-V583 HydrophobicContact CD2-CG1 4.27Å; Y578-V583 WeakPolarHBondContact CD2-O 3.24Å; Y578-S586 VanDerWaalsContact CE1-CB 3.49Å; Y578-S586 PolarHBondContact OH-O 2.86Å; Y578-H587 HydrophobicContact CD2-CB 4.42Å; Y578-H587 HydrophobicContact CE2-CB 3.67Å; Y578-H587 WeakPolarHBondContact OH-CA 3.42Å; Y578-A590 VanDerWaalsContact OH-CB 3.22Å; Y578-A590 WeakPolarHBondContact OH-CB 3.48Å
579	N	87	Confident	87.9	Confident	118 Å²	118	44.4 Å²	44.4	63%	0.631	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	43.9	178.7	-50.8	-83.3	0	0	0	112.6	A575 I576 I581	A575-N579 WeakPolarHBondContact O-CA 3.37Å; A575-N579 PolarHBondContact O-N 2.96Å; I576-N579 PolarHBondContact O-N 2.97Å; N579-I581 WeakPolarHBondContact O-CG1 3.39Å; N579-I581 PolarHBondContact O-N 3.3Å; N579-I581 VanDerWaalsContact O-N 3.12Å
580	D	83.4	Confident	87.7	Confident	75 Å²	75	43.6 Å²	43.6	40%	0.401	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	15.8	179.4	-50.2	-29.6	0	0	0	115	V568 A575 Y578	V568-D580 HydrophobicContact CG1-CB 4.21Å; V568-D580 HydrophobicContact CG2-CB 3.74Å; A575-D580 WeakPolarHBondContact CB-OD1 3.33Å; A575-D580 PolarHBondContact O-N 3.43Å; Y578-D580 VanDerWaalsContact C-N 3.27Å; Y578-D580 PolarHBondContact O-N 3.33Å
581	I	82.5	Confident	87.4	Confident	108 Å²	108	43.4 Å²	43.4	55%	0.554	24%	0.236	S	C	*	.	S	Bend	trans	-109.2	118.7	-179	-62.2	164.3	0	0	0	110.1	Y578 N579 V583	Y578-I581 PolarHBondContact O-N 3.32Å; N579-I581 WeakPolarHBondContact O-CG1 3.39Å; N579-I581 PolarHBondContact O-N 3.3Å; N579-I581 VanDerWaalsContact O-N 3.12Å; I581-V583 PolarHBondContact O-N 2.67Å; I581-V583 VanDerWaalsContact O-N 3.12Å
582	A	85.1	Confident	87.5	Confident	10 Å²	10	39.3 Å²	39.3	8%	0.083	21%	0.214	C	C	.	.	S	Bend	trans	42.2	50.2	176.7	0	0	0	0	0	111.5	L584 E585 S586 L625 E628	A582-L584 PolarHBondContact O-N 3.18Å; A582-E585 PolarHBondContact O-N 3.18Å; A582-S586 WeakPolarHBondContact O-CB 3.29Å; A582-S586 PolarHBondContact O-N 3.27Å; A582-S586 PolarHBondContact O-OG 2.97Å; A582-L625 HydrophobicContact CB-CD2 4.42Å; A582-E628 WeakPolarHBondContact CA-OE1 3.45Å
583	V	84.4	Confident	87.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-51.8	-161.4	174.4	0	0	0	0	110.4	N564 L567 V568 L574 A575 Y578 I581 H587	N564-V583 WeakPolarHBondContact OD1-CB 3.14Å; L567-V583 HydrophobicContact CD1-CG1 3.91Å; V568-V583 HydrophobicContact CG2-CG2 4.49Å; L574-V583 VanDerWaalsContact C-CG1 3.47Å; L574-V583 HydrophobicContact CB-CG1 3.71Å; A575-V583 HydrophobicContact CB-CG1 4.39Å; A575-V583 HydrophobicContact CB-CG2 4.35Å; Y578-V583 HydrophobicContact CD2-CG1 4.27Å; Y578-V583 WeakPolarHBondContact CD2-O 3.24Å; I581-V583 PolarHBondContact O-N 2.67Å; I581-V583 VanDerWaalsContact O-N 3.12Å; V583-H587 VanDerWaalsContact O-CB 3.29Å; V583-H587 WeakPolarHBondContact O-CB 3.16Å; V583-H587 PolarHBondContact O-N 2.99Å
584	L	96.2	Very high	87.7	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-50.8	179.2	-73.8	164.7	0	0	0	112	P560 K562 N564 L567 A582 S586 H587 H588	P560-L584 VanDerWaalsContact CD-CD2 3.4Å; P560-L584 HydrophobicContact CG-CD2 3.95Å; K562-L584 WeakPolarHBondContact O-CD1 3.33Å; N564-L584 WeakPolarHBondContact OD1-CB 3.49Å; N564-L584 VanDerWaalsContact OD1-CD1 3.26Å; N564-L584 WeakPolarHBondContact OD1-CD1 3.37Å; N564-L584 WeakPolarHBondContact OD1-CG 3.39Å; N564-L584 PolarHBondContact OD1-N 2.86Å; L567-L584 HydrophobicContact CD1-CD1 4.32Å; L567-L584 HydrophobicContact CD1-CD2 3.75Å; L567-L584 HydrophobicContact CD1-CG 3.81Å; A582-L584 PolarHBondContact O-N 3.18Å; L584-S586 VanDerWaalsContact C-N 3.27Å; L584-S586 PolarHBondContact O-N 2.81Å; L584-H587 CarbonylContact O-C 3.54Å; L584-H587 WeakPolarHBondContact O-CA 3.03Å; L584-H587 VanDerWaalsContact O-CB 3.28Å; L584-H587 WeakPolarHBondContact O-CB 3.3Å; L584-H587 PolarHBondContact O-N 2.73Å; L584-H588 PolarHBondContact O-CD2 3.5Å; L584-H588 PolarHBondContact O-N 3.01Å; L584-H588 PolarHBondContact O-NE2 3.36Å
585	E	97	Very high	88	Confident	23 Å²	23	37.3 Å²	37.3	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-34.3	-176	-60.2	82	177.3	0	0	111.9	N564 A582 A589 V624 L625 E628	N564-E585 PolarHBondContact ND2-OE2 2.76Å; A582-E585 PolarHBondContact O-N 3.18Å; E585-A589 WeakPolarHBondContact O-CB 3.47Å; E585-A589 PolarHBondContact O-N 3.11Å; E585-V624 WeakPolarHBondContact O-CG1 3.4Å; E585-L625 HydrophobicContact CB-CD2 3.99Å; E585-E628 HydrophobicContact CG-CB 3.85Å; E585-E628 VanDerWaalsContact OE1-CA 3.28Å; E585-E628 WeakPolarHBondContact OE1-CA 3.48Å; E585-E628 WeakPolarHBondContact OE1-CB 3.23Å
586	S	90.4	Very high	88.6	Confident	27 Å²	27	37.4 Å²	37.4	19%	0.189	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-37.3	171.5	-59.7	0	0	0	0	112	Y578 A582 L584 A590	Y578-S586 VanDerWaalsContact CE1-CB 3.49Å; Y578-S586 PolarHBondContact OH-O 2.86Å; A582-S586 WeakPolarHBondContact O-CB 3.29Å; A582-S586 PolarHBondContact O-N 3.27Å; A582-S586 PolarHBondContact O-OG 2.97Å; L584-S586 VanDerWaalsContact C-N 3.27Å; L584-S586 PolarHBondContact O-N 2.81Å; S586-A590 VanDerWaalsContact O-CB 3.24Å; S586-A590 WeakPolarHBondContact O-CB 3.45Å; S586-A590 PolarHBondContact O-N 3.23Å
587	H	93.3	Very high	89.2	Confident	19 Å²	19	35.8 Å²	35.8	9%	0.088	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-57.5	175	-176.6	55.8	0	0	0	111.3	D558 L574 Y578 V583 L584 A589 A590 V591	D558-H587 IonicContact OD2-CD2 3.63Å; D558-H587 IonicContact OD2-CE1 2.87Å; D558-H587 PolarHBondContact OD2-CE1 2.75Å; D558-H587 IonicContact OD2-NE2 3.89Å; D558-H587 PolarHBondContact OD2-NE2 3.03Å; L574-H587 HydrophobicContact CD1-CB 4.49Å; Y578-H587 HydrophobicContact CD2-CB 4.42Å; Y578-H587 HydrophobicContact CE2-CB 3.67Å; Y578-H587 WeakPolarHBondContact OH-CA 3.42Å; V583-H587 VanDerWaalsContact O-CB 3.29Å; V583-H587 WeakPolarHBondContact O-CB 3.16Å; V583-H587 PolarHBondContact O-N 2.99Å; L584-H587 CarbonylContact O-C 3.54Å; L584-H587 WeakPolarHBondContact O-CA 3.03Å; L584-H587 VanDerWaalsContact O-CB 3.28Å; L584-H587 WeakPolarHBondContact O-CB 3.3Å; L584-H587 PolarHBondContact O-N 2.73Å; H587-A589 VanDerWaalsContact C-N 3.29Å; H587-A589 PolarHBondContact O-N 3.07Å; H587-A590 WeakPolarHBondContact O-CA 3.22Å; H587-A590 PolarHBondContact O-N 2.64Å; H587-V591 WeakPolarHBondContact O-CG1 2.88Å; H587-V591 PolarHBondContact O-N 3.11Å
588	H	97.4	Very high	89.7	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-51	-49.4	178.9	-56	-35.3	0	0	0	111	H555 D556 V557 H559 L584 A590 S592 V624	H555-H588 WeakPolarHBondContact O-CB 3.4Å; H555-H588 PolarHBondContact O-CD2 3.12Å; D556-H588 IonicContact OD1-CD2 2.75Å; D556-H588 IonicContact OD1-NE2 2.71Å; V557-H588 HydrophobicContact CG1-CB 4.46Å; V557-H588 PolarHBondContact O-ND1 3.45Å; H559-H588 AromaticContact CD2-CE1 3.81Å; H559-H588 AromaticContact CD2-NE2 3.47Å; H559-H588 PolarHBondContact CD2-NE2 3.2Å; L584-H588 PolarHBondContact O-CD2 3.5Å; L584-H588 PolarHBondContact O-N 3.01Å; L584-H588 PolarHBondContact O-NE2 3.36Å; H588-A590 PolarHBondContact O-N 3.46Å; H588-S592 WeakPolarHBondContact O-CB 3.18Å; H588-S592 PolarHBondContact O-N 2.76Å; H588-S592 VanDerWaalsContact O-N 3.07Å; H588-S592 PolarHBondContact O-OG 2.9Å; H588-V624 HydrophobicContact CB-CG1 4.06Å
589	A	91.7	Very high	90.1	Very high	6 Å²	6	37.1 Å²	37.1	5%	0.05	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-44.9	175.9	0	0	0	0	0	112.5	E585 H587 F593 V621 V624	E585-A589 WeakPolarHBondContact O-CB 3.47Å; E585-A589 PolarHBondContact O-N 3.11Å; H587-A589 VanDerWaalsContact C-N 3.29Å; H587-A589 PolarHBondContact O-N 3.07Å; A589-F593 VanDerWaalsContact O-CD2 3.27Å; A589-F593 WeakPolarHBondContact O-CD2 3.49Å; A589-V621 HydrophobicContact CB-CG2 4.45Å; A589-V624 HydrophobicContact CB-CB 4.33Å; A589-V624 HydrophobicContact CB-CG1 4.04Å
590	A	87	Confident	90.4	Very high	17 Å²	17	35.2 Å²	35.2	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-51.9	-178.8	0	0	0	0	0	112.3	F312 Y578 S586 H587 H588 S592 F593 E594	F312-A590 HydrophobicContact CZ-CB 4.48Å; Y578-A590 VanDerWaalsContact OH-CB 3.22Å; Y578-A590 WeakPolarHBondContact OH-CB 3.48Å; S586-A590 VanDerWaalsContact O-CB 3.24Å; S586-A590 WeakPolarHBondContact O-CB 3.45Å; S586-A590 PolarHBondContact O-N 3.23Å; H587-A590 WeakPolarHBondContact O-CA 3.22Å; H587-A590 PolarHBondContact O-N 2.64Å; H588-A590 PolarHBondContact O-N 3.46Å; A590-S592 VanDerWaalsContact C-N 3.29Å; A590-S592 PolarHBondContact O-N 2.93Å; A590-F593 PolarHBondContact O-N 3.17Å; A590-E594 PolarHBondContact O-N 3.05Å
591	V	88.4	Confident	90.8	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-38.3	-177.4	67.4	0	0	0	0	110.6	V557 D558 H587 F593 E594 L595	V557-V591 HydrophobicContact CG1-CG1 3.65Å; D558-V591 HydrophobicContact CB-CG1 4.21Å; H587-V591 WeakPolarHBondContact O-CG1 2.88Å; H587-V591 PolarHBondContact O-N 3.11Å; V591-F593 VanDerWaalsContact C-N 3.31Å; V591-F593 PolarHBondContact O-N 3.17Å; V591-E594 WeakPolarHBondContact O-CB 3.38Å; V591-E594 PolarHBondContact O-N 3.2Å; V591-E594 VanDerWaalsContact O-N 3.07Å; V591-L595 HydrophobicContact CG2-CD1 4.07Å; V591-L595 HydrophobicContact CG2-CD2 4.36Å; V591-L595 HydrophobicContact CG2-CG 3.94Å; V591-L595 WeakPolarHBondContact O-CB 3.17Å; V591-L595 VanDerWaalsContact O-CG 3.23Å; V591-L595 WeakPolarHBondContact O-CG 3.31Å; V591-L595 PolarHBondContact O-N 3.08Å
592	S	92.1	Very high	91.3	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-51.7	-48.3	176.8	-63.1	0	0	0	0	113.2	V554 V557 H588 A590 T596	V554-S592 WeakPolarHBondContact CB-OG 3.32Å; V554-S592 WeakPolarHBondContact CG2-OG 3.18Å; V557-S592 WeakPolarHBondContact CG1-OG 3.35Å; H588-S592 WeakPolarHBondContact O-CB 3.18Å; H588-S592 PolarHBondContact O-N 2.76Å; H588-S592 VanDerWaalsContact O-N 3.07Å; H588-S592 PolarHBondContact O-OG 2.9Å; A590-S592 VanDerWaalsContact C-N 3.29Å; A590-S592 PolarHBondContact O-N 2.93Å; S592-T596 WeakPolarHBondContact O-CB 3.36Å; S592-T596 PolarHBondContact O-N 3.1Å; S592-T596 VanDerWaalsContact O-N 3.07Å; S592-T596 PolarHBondContact O-OG1 2.81Å
593	F	93.9	Very high	91.9	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-79.7	-29.6	179.8	-73.8	-85.8	0	0	0	112.5	A589 A590 V591 L597 F605 Y613 R617 I620 V621	A589-F593 VanDerWaalsContact O-CD2 3.27Å; A589-F593 WeakPolarHBondContact O-CD2 3.49Å; A590-F593 PolarHBondContact O-N 3.17Å; V591-F593 VanDerWaalsContact C-N 3.31Å; V591-F593 PolarHBondContact O-N 3.17Å; F593-L597 WeakPolarHBondContact O-CB 3.49Å; F593-L597 WeakPolarHBondContact O-CD1 3.48Å; F593-L597 WeakPolarHBondContact O-CG 3.34Å; F593-L597 PolarHBondContact O-N 2.67Å; F593-L597 VanDerWaalsContact O-N 3.1Å; F593-F605 HydrophobicContact CD1-CD2 4.45Å; F593-F605 AromaticContact CD1-CE2 3.9Å; F593-F605 HydrophobicContact CD1-CE2 3.9Å; F593-F605 HydrophobicContact CE1-CD2 4.26Å; F593-F605 AromaticContact CE1-CE2 3.53Å; F593-F605 HydrophobicContact CE1-CE2 3.53Å; F593-F605 AromaticContact CE1-CZ 3.98Å; F593-F605 HydrophobicContact CE1-CZ 3.98Å; F593-F605 HydrophobicContact CZ-CE2 4.47Å; F593-Y613 HydrophobicContact CD1-CE2 4.42Å; F593-Y613 HydrophobicContact CE1-CE2 4.3Å; F593-R617 HydrophobicContact CD1-CG 4.41Å; F593-R617 HydrophobicContact CE1-CB 3.84Å; F593-R617 HydrophobicContact CE1-CG 3.79Å; F593-R617 HydrophobicContact CE2-CG 4.06Å; F593-R617 HydrophobicContact CZ-CB 3.83Å; F593-R617 HydrophobicContact CZ-CG 3.62Å; F593-I620 HydrophobicContact CE2-CB 4.39Å; F593-I620 HydrophobicContact CE2-CG2 3.97Å; F593-I620 HydrophobicContact CZ-CB 4.11Å; F593-I620 HydrophobicContact CZ-CD1 4.1Å; F593-I620 HydrophobicContact CZ-CG2 4.08Å; F593-V621 HydrophobicContact CE2-CG2 3.86Å
594	E	91.4	Very high	92.5	Very high	110 Å²	110	34 Å²	34	51%	0.514	18%	0.179	S	C	.	.	H	α-helix	trans	-58.4	-54.2	169.9	-170.3	-165.7	131.3	0	0	110.1	A590 V591 T596 L597 R598	A590-E594 PolarHBondContact O-N 3.05Å; V591-E594 WeakPolarHBondContact O-CB 3.38Å; V591-E594 PolarHBondContact O-N 3.2Å; V591-E594 VanDerWaalsContact O-N 3.07Å; E594-T596 PolarHBondContact O-N 3.31Å; E594-L597 PolarHBondContact O-N 3.43Å; E594-L597 VanDerWaalsContact O-N 3.16Å; E594-R598 WeakPolarHBondContact O-CG 3.27Å; E594-R598 PolarHBondContact O-N 3.21Å; E594-R598 IonicContact OE1-CZ 3.7Å; E594-R598 IonicContact OE1-NE 2.99Å; E594-R598 IonicContact OE1-NH2 3.3Å; E594-R598 PolarHBondContact OE1-NH2 2.88Å
595	L	88.7	Confident	92.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-54	-50.9	177.4	-64.3	-179.7	0	0	0	111.5	V503 I504 H507 V591 L597 R598 I602	V503-L595 HydrophobicContact CG1-CB 4.33Å; V503-L595 HydrophobicContact CG1-CD1 4.49Å; I504-L595 HydrophobicContact CD1-CB 4.45Å; I504-L595 HydrophobicContact CD1-CD1 3.88Å; H507-L595 HydrophobicContact CB-CD1 3.89Å; H507-L595 VanDerWaalsContact CG-CD1 3.48Å; H507-L595 WeakPolarHBondContact NE2-CD2 3.36Å; V591-L595 HydrophobicContact CG2-CD1 4.07Å; V591-L595 HydrophobicContact CG2-CD2 4.36Å; V591-L595 HydrophobicContact CG2-CG 3.94Å; V591-L595 WeakPolarHBondContact O-CB 3.17Å; V591-L595 VanDerWaalsContact O-CG 3.23Å; V591-L595 WeakPolarHBondContact O-CG 3.31Å; V591-L595 PolarHBondContact O-N 3.08Å; L595-L597 PolarHBondContact O-N 3.19Å; L595-R598 WeakPolarHBondContact O-CB 3.22Å; L595-R598 PolarHBondContact O-N 2.95Å; L595-I602 WeakPolarHBondContact O-CD1 3.48Å
596	T	93.2	Very high	92.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-32.2	-178	-53.8	0	0	0	0	112.7	W500 S592 E594 N603 I604 F605	W500-T596 PolarHBondContact NE1-OG1 3.19Å; S592-T596 WeakPolarHBondContact O-CB 3.36Å; S592-T596 PolarHBondContact O-N 3.1Å; S592-T596 VanDerWaalsContact O-N 3.07Å; S592-T596 PolarHBondContact O-OG1 2.81Å; E594-T596 PolarHBondContact O-N 3.31Å; T596-N603 VanDerWaalsContact O-CA 3.3Å; T596-N603 WeakPolarHBondContact O-CA 3.48Å; T596-N603 WeakPolarHBondContact O-CB 3.39Å; T596-I604 HydrophobicContact CG2-CG1 3.85Å; T596-F605 HydrophobicContact CG2-CD2 3.65Å; T596-F605 HydrophobicContact CG2-CE2 3.74Å
597	L	92.4	Very high	92.9	Very high	58 Å²	58	39 Å²	39	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-92.8	-2.5	-175.7	-65.2	173.9	0	0	0	113.9	F593 E594 L595 S599	F593-L597 WeakPolarHBondContact O-CB 3.49Å; F593-L597 WeakPolarHBondContact O-CD1 3.48Å; F593-L597 WeakPolarHBondContact O-CG 3.34Å; F593-L597 PolarHBondContact O-N 2.67Å; F593-L597 VanDerWaalsContact O-N 3.1Å; E594-L597 PolarHBondContact O-N 3.43Å; E594-L597 VanDerWaalsContact O-N 3.16Å; L595-L597 PolarHBondContact O-N 3.19Å; L597-S599 PolarHBondContact O-N 3.26Å
598	R	88.9	Confident	93.1	Very high	140 Å²	140	39.2 Å²	39.2	53%	0.528	20%	0.203	S	C	.	.	S	Bend	trans	-63.9	-35.4	-178.9	-79.2	177.7	-176.7	166.9	4.5	113.7	E594 L595	E594-R598 WeakPolarHBondContact O-CG 3.27Å; E594-R598 PolarHBondContact O-N 3.21Å; E594-R598 IonicContact OE1-CZ 3.7Å; E594-R598 IonicContact OE1-NE 2.99Å; E594-R598 IonicContact OE1-NH2 3.3Å; E594-R598 PolarHBondContact OE1-NH2 2.88Å; L595-R598 WeakPolarHBondContact O-CB 3.22Å; L595-R598 PolarHBondContact O-N 2.95Å
599	S	88.1	Confident	93.1	Very high	36 Å²	36	42.2 Å²	42.2	25%	0.252	22%	0.221	S	C	.	.			trans	-146.7	144.7	179.7	170.9	0	0	0	0	111.3	L597 D601 I602 N603	L597-S599 PolarHBondContact O-N 3.26Å; S599-D601 PolarHBondContact O-N 2.93Å; S599-D601 PolarHBondContact OG-N 2.97Å; S599-D601 VanDerWaalsContact OG-N 3.12Å; S599-D601 PolarHBondContact OG-OD2 2.94Å; S599-I602 PolarHBondContact O-N 2.82Å; S599-N603 WeakPolarHBondContact O-CB 3.45Å; S599-N603 PolarHBondContact O-N 2.98Å
600	P	92.5	Very high	93.3	Very high	79 Å²	79	49.4 Å²	49.4	51%	0.513	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-56.7	-27.8	169.9	24.9	-35.1	0	0	0	113.5	I602 N603 Q606	P600-I602 PolarHBondContact O-N 2.92Å; P600-N603 PolarHBondContact O-N 3.44Å; P600-Q606 PolarHBondContact O-OE1 3.34Å
601	D	92	Very high	93.7	Very high	118 Å²	118	54 Å²	54	63%	0.631	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-69	-16.4	-176.5	-57.9	-43.9	0	0	0	114	S599	S599-D601 PolarHBondContact O-N 2.93Å; S599-D601 PolarHBondContact OG-N 2.97Å; S599-D601 VanDerWaalsContact OG-N 3.12Å; S599-D601 PolarHBondContact OG-OD2 2.94Å
602	I	93	Very high	94	Very high	25 Å²	25	55.7 Å²	55.7	13%	0.128	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-124.6	3.8	177.2	62.8	173.3	0	0	0	112.3	W500 V503 L595 S599 P600 I604	W500-I602 HydrophobicContact CB-CB 4.42Å; W500-I602 VanDerWaalsContact CD1-O 3.26Å; V503-I602 HydrophobicContact CG1-CD1 4.3Å; V503-I602 HydrophobicContact CG2-CD1 4.1Å; V503-I602 HydrophobicContact CG2-CG2 4.31Å; L595-I602 WeakPolarHBondContact O-CD1 3.48Å; S599-I602 PolarHBondContact O-N 2.82Å; P600-I602 PolarHBondContact O-N 2.92Å; I602-I604 PolarHBondContact O-N 3.25Å
603	N	97.4	Very high	94.3	Very high	26 Å²	26	58.3 Å²	58.3	14%	0.139	28%	0.283	C	S	.	.			trans	-80.8	90.3	-178.4	-176.4	-0.9	0	0	0	110.7	T596 S599 P600 F605 Q606	T596-N603 VanDerWaalsContact O-CA 3.3Å; T596-N603 WeakPolarHBondContact O-CA 3.48Å; T596-N603 WeakPolarHBondContact O-CB 3.39Å; S599-N603 WeakPolarHBondContact O-CB 3.45Å; S599-N603 PolarHBondContact O-N 2.98Å; P600-N603 PolarHBondContact O-N 3.44Å; N603-F605 PolarHBondContact O-N 3.08Å; N603-F605 PolarHBondContact OD1-N 3.38Å; N603-Q606 HydrophobicContact CB-CB 4.21Å; N603-Q606 WeakPolarHBondContact O-CB 3.46Å; N603-Q606 VanDerWaalsContact O-CG 3.31Å; N603-Q606 WeakPolarHBondContact O-CG 3.48Å; N603-Q606 PolarHBondContact O-N 2.63Å; N603-Q606 PolarHBondContact OD1-N 2.99Å
604	I	98.3	Very high	94.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-10.9	178.5	59.6	163.8	0	0	0	114.2	L490 I492 I496 L497 W500 L550 T596 I602	L490-I604 HydrophobicContact CD1-CB 4.36Å; I492-I604 HydrophobicContact CD1-CB 3.78Å; I492-I604 HydrophobicContact CD1-CG2 3.71Å; I496-I604 HydrophobicContact CG2-CG2 4.26Å; L497-I604 HydrophobicContact CD1-CG2 4.24Å; W500-I604 HydrophobicContact CB-CG2 3.48Å; W500-I604 VanDerWaalsContact CB-CG2 3.48Å; W500-I604 HydrophobicContact CD2-CD1 3.85Å; W500-I604 HydrophobicContact CD2-CG1 4.31Å; W500-I604 HydrophobicContact CD2-CG2 3.89Å; W500-I604 HydrophobicContact CE3-CD1 4.21Å; W500-I604 HydrophobicContact CE3-CG2 4.34Å; W500-I604 HydrophobicContact CG-CD1 4.35Å; W500-I604 HydrophobicContact CG-CG1 4.3Å; W500-I604 HydrophobicContact CG-CG2 3.47Å; W500-I604 VanDerWaalsContact CG-CG2 3.47Å; W500-I604 HydrophobicContact CH2-CD1 4.24Å; W500-I604 HydrophobicContact CZ2-CD1 3.84Å; W500-I604 HydrophobicContact CZ3-CD1 4.39Å; L550-I604 HydrophobicContact CD1-CD1 3.89Å; L550-I604 HydrophobicContact CD2-CD1 3.72Å; L550-I604 HydrophobicContact CG-CD1 4.46Å; T596-I604 HydrophobicContact CG2-CG1 3.85Å; I602-I604 PolarHBondContact O-N 3.25Å
605	F	97.9	Very high	94.6	Very high	10 Å²	10	60.7 Å²	60.7	4%	0.044	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	0.5	-179	-53.1	-58	0	0	0	114.1	L490 L550 F593 T596 N603 N607 L608 Y613 M616 I620	L490-F605 HydrophobicContact CD2-CD1 4.14Å; L490-F605 HydrophobicContact CD2-CE1 4.28Å; L550-F605 HydrophobicContact CD1-CE1 3.9Å; L550-F605 HydrophobicContact CD1-CZ 4.21Å; F593-F605 HydrophobicContact CD1-CD2 4.45Å; F593-F605 AromaticContact CD1-CE2 3.9Å; F593-F605 HydrophobicContact CD1-CE2 3.9Å; F593-F605 HydrophobicContact CE1-CD2 4.26Å; F593-F605 AromaticContact CE1-CE2 3.53Å; F593-F605 HydrophobicContact CE1-CE2 3.53Å; F593-F605 AromaticContact CE1-CZ 3.98Å; F593-F605 HydrophobicContact CE1-CZ 3.98Å; F593-F605 HydrophobicContact CZ-CE2 4.47Å; T596-F605 HydrophobicContact CG2-CD2 3.65Å; T596-F605 HydrophobicContact CG2-CE2 3.74Å; N603-F605 PolarHBondContact O-N 3.08Å; N603-F605 PolarHBondContact OD1-N 3.38Å; F605-N607 PolarHBondContact O-N 3.08Å; F605-N607 VanDerWaalsContact O-N 3.1Å; F605-L608 HydrophobicContact CB-CD1 4.29Å; F605-L608 HydrophobicContact CD1-CD1 3.81Å; F605-L608 WeakPolarHBondContact O-CB 3.45Å; F605-L608 PolarHBondContact O-N 3.3Å; F605-L608 VanDerWaalsContact O-N 3.1Å; F605-Y613 HydrophobicContact CB-CD2 3.67Å; F605-Y613 HydrophobicContact CB-CE2 4.02Å; F605-Y613 HydrophobicContact CD2-CD2 4.21Å; F605-Y613 AromaticContact CD2-CE2 3.85Å; F605-Y613 HydrophobicContact CD2-CE2 3.85Å; F605-Y613 AromaticContact CG-CD2 3.89Å; F605-Y613 HydrophobicContact CG-CD2 3.89Å; F605-Y613 HydrophobicContact CG-CE2 4.01Å; F605-M616 HydrophobicContact CD1-CG 4.2Å; F605-M616 HydrophobicContact CE1-CG 3.66Å; F605-M616 HydrophobicContact CZ-CG 4.5Å; F605-I620 HydrophobicContact CE1-CD1 4.33Å; F605-I620 HydrophobicContact CZ-CD1 3.92Å
606	Q	96.3	Very high	95	Very high	74 Å²	74	60.7 Å²	60.7	35%	0.346	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.8	-168.8	66.1	176.4	-9.8	0	0	115	I492 P600 N603	I492-Q606 HydrophobicContact CG2-CG 4.38Å; P600-Q606 PolarHBondContact O-OE1 3.34Å; N603-Q606 HydrophobicContact CB-CB 4.21Å; N603-Q606 WeakPolarHBondContact O-CB 3.46Å; N603-Q606 VanDerWaalsContact O-CG 3.31Å; N603-Q606 WeakPolarHBondContact O-CG 3.48Å; N603-Q606 PolarHBondContact O-N 2.63Å; N603-Q606 PolarHBondContact OD1-N 2.99Å
607	N	97.4	Very high	95.2	Very high	78 Å²	78	62.3 Å²	62.3	42%	0.417	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	7.5	-176.8	-66.6	-29	0	0	0	113.2	R491 F605	R491-N607 HydrophobicContact CB-CB 3.8Å; R491-N607 PolarHBondContact NH1-O 3.16Å; R491-N607 WeakPolarHBondContact O-CB 3.46Å; R491-N607 PolarHBondContact O-ND2 3.36Å; F605-N607 PolarHBondContact O-N 3.08Å; F605-N607 VanDerWaalsContact O-N 3.1Å
608	L	97.3	Very high	95.4	Very high	22 Å²	22	63.1 Å²	63.1	12%	0.115	31%	0.309	C	S	.	.	S	Bend	trans	-79.4	145	171	-64.4	-174.1	0	0	0	110.7	V489 L490 F605 E612 M616	V489-L608 WeakPolarHBondContact O-CD2 3.41Å; L490-L608 HydrophobicContact CD2-CD1 4.26Å; F605-L608 HydrophobicContact CB-CD1 4.29Å; F605-L608 HydrophobicContact CD1-CD1 3.81Å; F605-L608 WeakPolarHBondContact O-CB 3.45Å; F605-L608 PolarHBondContact O-N 3.3Å; F605-L608 VanDerWaalsContact O-N 3.1Å; L608-E612 HydrophobicContact CB-CB 4.06Å; L608-E612 HydrophobicContact CD2-CB 4.32Å; L608-M616 HydrophobicContact CD1-CB 4.41Å; L608-M616 HydrophobicContact CD1-CE 4.33Å
609	T	96.9	Very high	95.8	Very high	65 Å²	65	58.7 Å²	58.7	40%	0.399	29%	0.293	S	S	.	.			trans	-63.5	162.2	166.3	62.5	0	0	0	0	110.1	E611 E612 Y613	T609-E611 PolarHBondContact O-N 2.89Å; T609-E612 WeakPolarHBondContact CB-OE2 3.43Å; T609-E612 WeakPolarHBondContact CG2-OE2 3.5Å; T609-E612 PolarHBondContact N-OE2 3.48Å; T609-E612 PolarHBondContact O-N 2.79Å; T609-E612 WeakPolarHBondContact OG1-CB 3.24Å; T609-E612 WeakPolarHBondContact OG1-CG 3.21Å; T609-E612 PolarHBondContact OG1-N 3.44Å; T609-E612 PolarHBondContact OG1-OE2 3.38Å; T609-Y613 WeakPolarHBondContact O-CB 3.28Å; T609-Y613 PolarHBondContact O-N 2.99Å
610	R	95.7	Very high	96.3	Very high	157 Å²	157	57.2 Å²	57.2	59%	0.592	28%	0.282	S	S	*	.	H	α-helix	trans	-59.5	-37.4	179.8	-171.3	-177	-173.3	-162.2	8.4	112.2	R614	R610-R614 WeakPolarHBondContact O-CB 3.29Å; R610-R614 WeakPolarHBondContact O-CD 3.46Å; R610-R614 WeakPolarHBondContact O-CG 3.4Å; R610-R614 PolarHBondContact O-N 3.33Å; R610-R614 VanDerWaalsContact O-N 3.08Å
611	E	95.5	Very high	96.4	Very high	114 Å²	114	55.1 Å²	55.1	53%	0.533	27%	0.268	S	S	.	.	H	α-helix	trans	-70.3	-42.5	179	-69.5	63.1	-140.4	0	0	111.4	T609 R614 T615	T609-E611 PolarHBondContact O-N 2.89Å; E611-R614 PolarHBondContact O-N 2.87Å; E611-T615 WeakPolarHBondContact O-CB 3.44Å; E611-T615 PolarHBondContact O-N 3.31Å; E611-T615 PolarHBondContact O-OG1 3.31Å
612	E	96.2	Very high	96.7	Very high	44 Å²	44	51.1 Å²	51.1	21%	0.206	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-48.3	174.7	-72.5	163.3	151.3	0	0	111.5	R491 L608 T609 R614 T615 M616	R491-E612 IonicContact CZ-OE1 3.64Å; R491-E612 IonicContact CZ-OE2 3.12Å; R491-E612 IonicContact NH1-OE1 3.51Å; R491-E612 IonicContact NH1-OE2 2.78Å; R491-E612 PolarHBondContact NH1-OE2 3.32Å; R491-E612 IonicContact NH2-OE1 2.7Å; R491-E612 PolarHBondContact NH2-OE1 3.02Å; R491-E612 IonicContact NH2-OE2 2.68Å; R491-E612 PolarHBondContact NH2-OE2 2.94Å; L608-E612 HydrophobicContact CB-CB 4.06Å; L608-E612 HydrophobicContact CD2-CB 4.32Å; T609-E612 WeakPolarHBondContact CB-OE2 3.43Å; T609-E612 WeakPolarHBondContact CG2-OE2 3.5Å; T609-E612 PolarHBondContact N-OE2 3.48Å; T609-E612 PolarHBondContact O-N 2.79Å; T609-E612 WeakPolarHBondContact OG1-CB 3.24Å; T609-E612 WeakPolarHBondContact OG1-CG 3.21Å; T609-E612 PolarHBondContact OG1-N 3.44Å; T609-E612 PolarHBondContact OG1-OE2 3.38Å; E612-R614 VanDerWaalsContact C-N 3.31Å; E612-R614 PolarHBondContact O-N 3.45Å; E612-T615 PolarHBondContact O-N 3.28Å; E612-T615 VanDerWaalsContact O-N 3.12Å; E612-M616 WeakPolarHBondContact O-CB 3.32Å; E612-M616 PolarHBondContact O-N 3.13Å
613	Y	96.5	Very high	96.9	Very high	58 Å²	58	50 Å²	50	23%	0.227	24%	0.241	C	C	.	.	H	α-helix	trans	-57.5	-44.4	176.6	171.4	-106.1	0	0	0	111.7	F593 F605 T609 T615 M616 R617	F593-Y613 HydrophobicContact CD1-CE2 4.42Å; F593-Y613 HydrophobicContact CE1-CE2 4.3Å; F605-Y613 HydrophobicContact CB-CD2 3.67Å; F605-Y613 HydrophobicContact CB-CE2 4.02Å; F605-Y613 HydrophobicContact CD2-CD2 4.21Å; F605-Y613 AromaticContact CD2-CE2 3.85Å; F605-Y613 HydrophobicContact CD2-CE2 3.85Å; F605-Y613 AromaticContact CG-CD2 3.89Å; F605-Y613 HydrophobicContact CG-CD2 3.89Å; F605-Y613 HydrophobicContact CG-CE2 4.01Å; T609-Y613 WeakPolarHBondContact O-CB 3.28Å; T609-Y613 PolarHBondContact O-N 2.99Å; Y613-T615 VanDerWaalsContact C-N 3.32Å; Y613-T615 PolarHBondContact O-N 3.42Å; Y613-M616 PolarHBondContact O-N 3.28Å; Y613-R617 WeakPolarHBondContact O-CB 3.4Å; Y613-R617 PolarHBondContact O-N 2.99Å
614	R	96.3	Very high	97	Very high	115 Å²	115	48.8 Å²	48.8	43%	0.434	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-42.5	176.3	-80.4	170.1	170.3	171.5	-7.1	112.2	R610 E611 E612 S618	R610-R614 WeakPolarHBondContact O-CB 3.29Å; R610-R614 WeakPolarHBondContact O-CD 3.46Å; R610-R614 WeakPolarHBondContact O-CG 3.4Å; R610-R614 PolarHBondContact O-N 3.33Å; R610-R614 VanDerWaalsContact O-N 3.08Å; E611-R614 PolarHBondContact O-N 2.87Å; E612-R614 VanDerWaalsContact C-N 3.31Å; E612-R614 PolarHBondContact O-N 3.45Å; R614-S618 WeakPolarHBondContact O-CB 3.25Å; R614-S618 PolarHBondContact O-N 3Å
615	T	95.8	Very high	96.7	Very high	53 Å²	53	50.9 Å²	50.9	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-66.6	-50	179.3	-56.5	0	0	0	0	110.5	I543 E611 E612 Y613 R617 S618 Y619	I543-T615 HydrophobicContact CG2-CG2 4.35Å; E611-T615 WeakPolarHBondContact O-CB 3.44Å; E611-T615 PolarHBondContact O-N 3.31Å; E611-T615 PolarHBondContact O-OG1 3.31Å; E612-T615 PolarHBondContact O-N 3.28Å; E612-T615 VanDerWaalsContact O-N 3.12Å; Y613-T615 VanDerWaalsContact C-N 3.32Å; Y613-T615 PolarHBondContact O-N 3.42Å; T615-R617 PolarHBondContact O-N 3.02Å; T615-S618 WeakPolarHBondContact O-CB 3.4Å; T615-S618 PolarHBondContact O-N 2.89Å; T615-Y619 HydrophobicContact CG2-CD2 4.24Å; T615-Y619 HydrophobicContact CG2-CE1 4.15Å; T615-Y619 HydrophobicContact CG2-CE2 3.71Å; T615-Y619 PolarHBondContact O-N 3.21Å
616	M	96.9	Very high	96.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-50.4	177.7	-168.2	72.6	75.3	0	0	111.2	V489 L490 I543 V546 A547 L550 F605 L608 E612 Y613 S618 Y619 I620	V489-M616 HydrophobicContact CG1-CE 4.33Å; L490-M616 HydrophobicContact CD2-CE 4.01Å; I543-M616 HydrophobicContact CG2-CE 4.05Å; I543-M616 HydrophobicContact CG2-SD 4.29Å; V546-M616 HydrophobicContact CG1-CE 4.19Å; V546-M616 HydrophobicContact CG1-SD 4.41Å; A547-M616 HydrophobicContact CB-SD 3.6Å; L550-M616 HydrophobicContact CD1-SD 4.34Å; F605-M616 HydrophobicContact CD1-CG 4.2Å; F605-M616 HydrophobicContact CE1-CG 3.66Å; F605-M616 HydrophobicContact CZ-CG 4.5Å; L608-M616 HydrophobicContact CD1-CB 4.41Å; L608-M616 HydrophobicContact CD1-CE 4.33Å; E612-M616 WeakPolarHBondContact O-CB 3.32Å; E612-M616 PolarHBondContact O-N 3.13Å; Y613-M616 PolarHBondContact O-N 3.28Å; M616-S618 PolarHBondContact O-N 3.37Å; M616-Y619 PolarHBondContact O-N 2.98Å; M616-I620 HydrophobicContact CG-CD1 3.96Å; M616-I620 WeakPolarHBondContact O-CG1 3.46Å; M616-I620 PolarHBondContact O-N 2.99Å
617	R	97.5	Very high	96.5	Very high	36 Å²	36	47.1 Å²	47.1	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-44.8	176	176.7	175.4	171.5	81.4	4.6	111.8	F593 Y613 T615 Y619 I620 V621	F593-R617 HydrophobicContact CD1-CG 4.41Å; F593-R617 HydrophobicContact CE1-CB 3.84Å; F593-R617 HydrophobicContact CE1-CG 3.79Å; F593-R617 HydrophobicContact CE2-CG 4.06Å; F593-R617 HydrophobicContact CZ-CB 3.83Å; F593-R617 HydrophobicContact CZ-CG 3.62Å; Y613-R617 WeakPolarHBondContact O-CB 3.4Å; Y613-R617 PolarHBondContact O-N 2.99Å; T615-R617 PolarHBondContact O-N 3.02Å; R617-Y619 VanDerWaalsContact C-N 3.3Å; R617-Y619 PolarHBondContact O-N 3.43Å; R617-I620 PolarHBondContact O-N 3.32Å; R617-V621 HydrophobicContact CG-CG2 4.16Å; R617-V621 WeakPolarHBondContact O-CB 3.45Å; R617-V621 VanDerWaalsContact O-CG2 3.27Å; R617-V621 WeakPolarHBondContact O-CG2 3.36Å; R617-V621 PolarHBondContact O-N 3.41Å
618	S	97	Very high	96.2	Very high	75 Å²	75	44.5 Å²	44.5	52%	0.524	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-40.4	178.5	-174.5	0	0	0	0	111.8	R614 T615 M616 D622	R614-S618 WeakPolarHBondContact O-CB 3.25Å; R614-S618 PolarHBondContact O-N 3Å; T615-S618 WeakPolarHBondContact O-CB 3.4Å; T615-S618 PolarHBondContact O-N 2.89Å; M616-S618 PolarHBondContact O-N 3.37Å; S618-D622 WeakPolarHBondContact O-CB 3.46Å; S618-D622 PolarHBondContact O-N 3.24Å
619	Y	98.4	Very high	95.7	Very high	46 Å²	46	44.5 Å²	44.5	18%	0.18	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-47	178.4	-70	-9.1	0	0	0	112	I543 D544 A547 T615 M616 R617 D622 M623 K704	I543-Y619 HydrophobicContact CG2-CD2 4.19Å; I543-Y619 HydrophobicContact CG2-CE2 4.09Å; D544-Y619 WeakPolarHBondContact OD1-CE2 3.49Å; A547-Y619 HydrophobicContact CB-CD2 3.97Å; A547-Y619 HydrophobicContact CB-CG 4.37Å; T615-Y619 HydrophobicContact CG2-CD2 4.24Å; T615-Y619 HydrophobicContact CG2-CE1 4.15Å; T615-Y619 HydrophobicContact CG2-CE2 3.71Å; T615-Y619 PolarHBondContact O-N 3.21Å; M616-Y619 PolarHBondContact O-N 2.98Å; R617-Y619 VanDerWaalsContact C-N 3.3Å; R617-Y619 PolarHBondContact O-N 3.43Å; Y619-D622 PolarHBondContact O-N 3.37Å; Y619-M623 VanDerWaalsContact O-CE 3.24Å; Y619-M623 WeakPolarHBondContact O-CE 3.34Å; Y619-M623 PolarHBondContact O-N 3.41Å; Y619-K704 VanDerWaalsContact CG-NZ 3.25Å
620	I	98.1	Very high	95	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-51.9	179.8	-67.3	165.1	0	0	0	110.2	A547 L550 A551 V554 F593 F605 M616 R617 D622 M623 V624	A547-I620 HydrophobicContact CB-CG1 4.31Å; L550-I620 HydrophobicContact CB-CD1 3.82Å; L550-I620 HydrophobicContact CB-CG1 4.21Å; L550-I620 HydrophobicContact CD1-CD1 4.01Å; A551-I620 HydrophobicContact CB-CG2 4.31Å; V554-I620 HydrophobicContact CG2-CG2 4.16Å; F593-I620 HydrophobicContact CE2-CB 4.39Å; F593-I620 HydrophobicContact CE2-CG2 3.97Å; F593-I620 HydrophobicContact CZ-CB 4.11Å; F593-I620 HydrophobicContact CZ-CD1 4.1Å; F593-I620 HydrophobicContact CZ-CG2 4.08Å; F605-I620 HydrophobicContact CE1-CD1 4.33Å; F605-I620 HydrophobicContact CZ-CD1 3.92Å; M616-I620 HydrophobicContact CG-CD1 3.96Å; M616-I620 WeakPolarHBondContact O-CG1 3.46Å; M616-I620 PolarHBondContact O-N 2.99Å; R617-I620 PolarHBondContact O-N 3.32Å; I620-D622 VanDerWaalsContact C-N 3.31Å; I620-D622 PolarHBondContact O-N 3.44Å; I620-M623 PolarHBondContact O-N 3.17Å; I620-V624 HydrophobicContact CG2-CG2 4.33Å; I620-V624 WeakPolarHBondContact O-CG2 3.34Å; I620-V624 PolarHBondContact O-N 2.86Å
621	V	94.9	Very high	94.4	Very high	36 Å²	36	38.9 Å²	38.9	22%	0.218	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-41.2	179.2	174.3	0	0	0	0	111.4	A589 F593 R617 M623 L625	A589-V621 HydrophobicContact CB-CG2 4.45Å; F593-V621 HydrophobicContact CE2-CG2 3.86Å; R617-V621 HydrophobicContact CG-CG2 4.16Å; R617-V621 WeakPolarHBondContact O-CB 3.45Å; R617-V621 VanDerWaalsContact O-CG2 3.27Å; R617-V621 WeakPolarHBondContact O-CG2 3.36Å; R617-V621 PolarHBondContact O-N 3.41Å; V621-M623 PolarHBondContact O-N 2.71Å; V621-L625 HydrophobicContact CG1-CD1 3.74Å; V621-L625 HydrophobicContact CG1-CG 4.26Å; V621-L625 WeakPolarHBondContact O-CB 3.24Å; V621-L625 VanDerWaalsContact O-CG 3.27Å; V621-L625 WeakPolarHBondContact O-CG 3.49Å; V621-L625 PolarHBondContact O-N 2.89Å
622	D	96.7	Very high	93.9	Very high	34 Å²	34	33.6 Å²	33.6	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-36.5	178.9	-174.1	61.4	0	0	0	113.1	S618 Y619 I620 A626 T701 R705	S618-D622 WeakPolarHBondContact O-CB 3.46Å; S618-D622 PolarHBondContact O-N 3.24Å; Y619-D622 PolarHBondContact O-N 3.37Å; I620-D622 VanDerWaalsContact C-N 3.31Å; I620-D622 PolarHBondContact O-N 3.44Å; D622-A626 VanDerWaalsContact O-CB 3.29Å; D622-A626 WeakPolarHBondContact O-CB 3.45Å; D622-A626 PolarHBondContact O-N 2.92Å; D622-T701 WeakPolarHBondContact OD2-CG2 3.44Å; D622-R705 IonicContact OD1-CZ 3.08Å; D622-R705 VanDerWaalsContact OD1-CZ 3.27Å; D622-R705 IonicContact OD1-NE 3.48Å; D622-R705 PolarHBondContact OD1-NE 3.37Å; D622-R705 IonicContact OD1-NH2 3.36Å; D622-R705 PolarHBondContact OD1-NH2 3.18Å; D622-R705 IonicContact OD2-CZ 3.61Å; D622-R705 VanDerWaalsContact OD2-CZ 3.26Å; D622-R705 IonicContact OD2-NE 3.59Å; D622-R705 PolarHBondContact OD2-NE 2.72Å; D622-R705 IonicContact OD2-NH2 2.77Å; D622-R705 PolarHBondContact OD2-NH2 3.44Å
623	M	98.6	Very high	93.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-74	-43.2	177.1	-77.7	-178.7	-72.8	0	0	112.3	A547 T548 A551 Y619 I620 V621 A626 T627 K704 I708	A547-M623 VanDerWaalsContact C-CE 3.47Å; A547-M623 HydrophobicContact CB-CE 4.03Å; A547-M623 VanDerWaalsContact O-CE 3.27Å; A547-M623 WeakPolarHBondContact O-CE 3.5Å; T548-M623 HydrophobicContact CG2-SD 4.01Å; A551-M623 HydrophobicContact CB-CB 3.74Å; A551-M623 HydrophobicContact CB-CE 3.81Å; A551-M623 HydrophobicContact CB-SD 4.25Å; Y619-M623 VanDerWaalsContact O-CE 3.24Å; Y619-M623 WeakPolarHBondContact O-CE 3.34Å; Y619-M623 PolarHBondContact O-N 3.41Å; I620-M623 PolarHBondContact O-N 3.17Å; V621-M623 PolarHBondContact O-N 2.71Å; M623-A626 WeakPolarHBondContact O-CA 3.46Å; M623-A626 WeakPolarHBondContact O-CB 3.24Å; M623-A626 PolarHBondContact O-N 3.36Å; M623-T627 PolarHBondContact O-N 3.22Å; M623-K704 HydrophobicContact CG-CB 4.26Å; M623-K704 HydrophobicContact SD-CB 3.8Å; M623-K704 HydrophobicContact SD-CD 4.31Å; M623-K704 HydrophobicContact SD-CG 4.37Å; M623-I708 HydrophobicContact CB-CB 4.47Å; M623-I708 HydrophobicContact CB-CG2 4.07Å; M623-I708 HydrophobicContact CG-CG2 4.26Å
624	V	97.8	Very high	92.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-46.2	175.1	177	0	0	0	0	110.1	A551 V554 H555 E585 H588 A589 I620 A626 T627	A551-V624 HydrophobicContact CB-CG2 4.36Å; V554-V624 HydrophobicContact CG2-CG2 4.17Å; H555-V624 HydrophobicContact CB-CG2 4.3Å; E585-V624 WeakPolarHBondContact O-CG1 3.4Å; H588-V624 HydrophobicContact CB-CG1 4.06Å; A589-V624 HydrophobicContact CB-CB 4.33Å; A589-V624 HydrophobicContact CB-CG1 4.04Å; I620-V624 HydrophobicContact CG2-CG2 4.33Å; I620-V624 WeakPolarHBondContact O-CG2 3.34Å; I620-V624 PolarHBondContact O-N 2.86Å; V624-A626 PolarHBondContact O-N 2.89Å; V624-T627 PolarHBondContact O-N 3.22Å; V624-T627 VanDerWaalsContact O-N 3.16Å; V624-T627 PolarHBondContact O-OG1 2.89Å
625	L	93.4	Very high	92.1	Very high	44 Å²	44	27.1 Å²	27.1	23%	0.23	14%	0.142	C	C	.	.	H	α-helix	trans	-69	-4.9	174.5	-66	176.2	0	0	0	114.3	A582 E585 V621 R631	A582-L625 HydrophobicContact CB-CD2 4.42Å; E585-L625 HydrophobicContact CB-CD2 3.99Å; V621-L625 HydrophobicContact CG1-CD1 3.74Å; V621-L625 HydrophobicContact CG1-CG 4.26Å; V621-L625 WeakPolarHBondContact O-CB 3.24Å; V621-L625 VanDerWaalsContact O-CG 3.27Å; V621-L625 WeakPolarHBondContact O-CG 3.49Å; V621-L625 PolarHBondContact O-N 2.89Å; L625-R631 VanDerWaalsContact O-CD 3.23Å; L625-R631 WeakPolarHBondContact O-CD 3.2Å; L625-R631 PolarHBondContact O-NH1 3.47Å
626	A	94.4	Very high	91.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-94.4	-15.1	175.3	0	0	0	0	0	112.7	D622 M623 V624 E628 I635 R705 K709	D622-A626 VanDerWaalsContact O-CB 3.29Å; D622-A626 WeakPolarHBondContact O-CB 3.45Å; D622-A626 PolarHBondContact O-N 2.92Å; M623-A626 WeakPolarHBondContact O-CA 3.46Å; M623-A626 WeakPolarHBondContact O-CB 3.24Å; M623-A626 PolarHBondContact O-N 3.36Å; V624-A626 PolarHBondContact O-N 2.89Å; A626-E628 VanDerWaalsContact C-N 3.26Å; A626-E628 PolarHBondContact O-N 3.15Å; A626-I635 HydrophobicContact CB-CD1 3.72Å; A626-R705 HydrophobicContact CB-CB 4.05Å; A626-R705 HydrophobicContact CB-CG 3.76Å; A626-K709 VanDerWaalsContact O-CD 3.26Å; A626-K709 WeakPolarHBondContact O-CD 3.48Å; A626-K709 WeakPolarHBondContact O-CG 3.49Å; A626-K709 PolarHBondContact O-NZ 3.49Å
627	T	95.6	Very high	90.9	Very high	6 Å²	6	28 Å²	28	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-31.2	175.1	60.5	0	0	0	0	110.9	H555 M623 V624 M629 I708 K709	H555-T627 HydrophobicContact CB-CG2 4.26Å; M623-T627 PolarHBondContact O-N 3.22Å; V624-T627 PolarHBondContact O-N 3.22Å; V624-T627 VanDerWaalsContact O-N 3.16Å; V624-T627 PolarHBondContact O-OG1 2.89Å; T627-M629 PolarHBondContact O-N 3.33Å; T627-I708 HydrophobicContact CG2-CG1 3.83Å; T627-I708 HydrophobicContact CG2-CG2 4.45Å; T627-K709 PolarHBondContact O-NZ 2.83Å
628	E	91.1	Very high	90.3	Very high	23 Å²	23	30.1 Å²	30.1	11%	0.107	16%	0.157	C	C	.	.			trans	-46	128.7	175.8	-167.7	-174.4	-158.1	0	0	113	A582 E585 A626 V630 R631 K709	A582-E628 WeakPolarHBondContact CA-OE1 3.45Å; E585-E628 HydrophobicContact CG-CB 3.85Å; E585-E628 VanDerWaalsContact OE1-CA 3.28Å; E585-E628 WeakPolarHBondContact OE1-CA 3.48Å; E585-E628 WeakPolarHBondContact OE1-CB 3.23Å; A626-E628 VanDerWaalsContact C-N 3.26Å; A626-E628 PolarHBondContact O-N 3.15Å; E628-V630 VanDerWaalsContact C-N 3.32Å; E628-V630 HydrophobicContact CG-CB 3.95Å; E628-V630 HydrophobicContact CG-CG2 3.9Å; E628-V630 PolarHBondContact O-N 3.05Å; E628-V630 WeakPolarHBondContact OE1-CG2 3.49Å; E628-R631 PolarHBondContact O-N 2.84Å; E628-K709 PolarHBondContact O-NZ 3.04Å
629	M	86.3	Confident	90	Very high	21 Å²	21	26.6 Å²	26.6	10%	0.103	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-74	-21.8	-176.3	-70.6	-63.7	-100.6	0	0	113.3	L405 T627 R631 H632 F767 F771	L405-M629 HydrophobicContact CB-CB 3.94Å; L405-M629 HydrophobicContact CB-CG 4.25Å; L405-M629 HydrophobicContact CD1-CE 4.36Å; L405-M629 VanDerWaalsContact O-CB 3.29Å; L405-M629 WeakPolarHBondContact O-CB 3.27Å; T627-M629 PolarHBondContact O-N 3.33Å; M629-R631 PolarHBondContact O-N 3.05Å; M629-H632 WeakPolarHBondContact O-CB 3.17Å; M629-H632 PolarHBondContact O-N 3.24Å; M629-H632 VanDerWaalsContact O-N 3.09Å; M629-H632 HydrophobicContact SD-CB 4.29Å; M629-F767 HydrophobicContact CE-CE2 3.85Å; M629-F767 HydrophobicContact CE-CZ 4.22Å; M629-F771 HydrophobicContact CE-CB 4.13Å; M629-F771 HydrophobicContact CE-CD1 3.35Å; M629-F771 HydrophobicContact CE-CD2 4Å; M629-F771 HydrophobicContact CE-CE1 3.56Å; M629-F771 HydrophobicContact CE-CE2 4.19Å; M629-F771 HydrophobicContact CE-CG 3.57Å; M629-F771 HydrophobicContact CE-CZ 3.98Å; M629-F771 HydrophobicContact SD-CD1 4.46Å
630	V	82.8	Confident	89.4	Confident	42 Å²	42	26 Å²	26	26%	0.255	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-55.6	-36.7	169.8	-176	0	0	0	0	111.8	I406 E628	I406-V630 WeakPolarHBondContact O-CG2 3.49Å; E628-V630 VanDerWaalsContact C-N 3.32Å; E628-V630 HydrophobicContact CG-CB 3.95Å; E628-V630 HydrophobicContact CG-CG2 3.9Å; E628-V630 PolarHBondContact O-N 3.05Å; E628-V630 WeakPolarHBondContact OE1-CG2 3.49Å
631	R	82	Confident	88.8	Confident	62 Å²	62	29.3 Å²	29.3	23%	0.234	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-91.4	-0.7	-177.6	-54.2	-176.9	83.3	-167.3	8.6	113.1	L625 E628 M629 F633 D634 I635	L625-R631 VanDerWaalsContact O-CD 3.23Å; L625-R631 WeakPolarHBondContact O-CD 3.2Å; L625-R631 PolarHBondContact O-NH1 3.47Å; E628-R631 PolarHBondContact O-N 2.84Å; M629-R631 PolarHBondContact O-N 3.05Å; R631-F633 PolarHBondContact O-N 3.28Å; R631-D634 PolarHBondContact O-N 2.81Å; R631-I635 HydrophobicContact CB-CD1 4.01Å; R631-I635 WeakPolarHBondContact O-CG1 3.4Å; R631-I635 PolarHBondContact O-N 3.14Å; R631-I635 VanDerWaalsContact O-N 3.15Å
632	H	84.7	Confident	88.5	Confident	3 Å²	3	30 Å²	30	1%	0.014	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-56.5	-172.5	177.6	97	0	0	0	112.1	M629 D634 I635 V636 K709 F771	M629-H632 WeakPolarHBondContact O-CB 3.17Å; M629-H632 PolarHBondContact O-N 3.24Å; M629-H632 VanDerWaalsContact O-N 3.09Å; M629-H632 HydrophobicContact SD-CB 4.29Å; H632-D634 VanDerWaalsContact C-N 3.33Å; H632-D634 PolarHBondContact O-N 2.85Å; H632-I635 PolarHBondContact O-N 2.94Å; H632-V636 WeakPolarHBondContact O-CG2 3.32Å; H632-V636 PolarHBondContact O-N 2.93Å; H632-K709 WeakPolarHBondContact ND1-CE 3.37Å; H632-F771 PolarHBondContact CE1-O 3.48Å; H632-F771 PolarHBondContact NE2-O 2.95Å
633	F	85.1	Confident	88.2	Confident	40 Å²	40	28.4 Å²	28.4	18%	0.175	15%	0.147	C	C	.	.	H	α-helix	trans	-67.2	-32.1	-175.2	-67.9	-62.7	0	0	0	113.4	I406 R631 T637 F770	I406-F633 HydrophobicContact CD1-CD2 4.46Å; I406-F633 HydrophobicContact CD1-CE2 3.74Å; R631-F633 PolarHBondContact O-N 3.28Å; F633-T637 WeakPolarHBondContact O-CB 3.43Å; F633-T637 PolarHBondContact O-N 3.23Å; F633-T637 PolarHBondContact O-OG1 3.46Å; F633-F770 AromaticContact CE2-CE1 3.69Å; F633-F770 HydrophobicContact CE2-CE1 3.69Å; F633-F770 HydrophobicContact CE2-CZ 4.04Å; F633-F770 AromaticContact CZ-CD1 3.94Å; F633-F770 HydrophobicContact CZ-CD1 3.94Å; F633-F770 AromaticContact CZ-CE1 3.37Å; F633-F770 HydrophobicContact CZ-CE1 3.37Å; F633-F770 AromaticContact CZ-CZ 3.72Å; F633-F770 HydrophobicContact CZ-CZ 3.72Å
634	D	82.3	Confident	87.7	Confident	34 Å²	34	28.5 Å²	28.5	18%	0.182	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-47.2	175.8	-73.3	-20.8	0	0	0	111.4	A334 H337 R631 H632 K638	A334-D634 WeakPolarHBondContact CA-OD2 3.5Å; A334-D634 WeakPolarHBondContact CB-OD2 3.49Å; H337-D634 WeakPolarHBondContact CB-OD1 3.36Å; R631-D634 PolarHBondContact O-N 2.81Å; H632-D634 VanDerWaalsContact C-N 3.33Å; H632-D634 PolarHBondContact O-N 2.85Å; D634-K638 WeakPolarHBondContact O-CB 3.37Å; D634-K638 PolarHBondContact O-N 3.19Å
635	I	83.8	Confident	87.1	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-50.1	-178.6	-66.2	167.4	0	0	0	109.7	A626 R631 H632 K638 F639 L702 R705 L706 K709	A626-I635 HydrophobicContact CB-CD1 3.72Å; R631-I635 HydrophobicContact CB-CD1 4.01Å; R631-I635 WeakPolarHBondContact O-CG1 3.4Å; R631-I635 PolarHBondContact O-N 3.14Å; R631-I635 VanDerWaalsContact O-N 3.15Å; H632-I635 PolarHBondContact O-N 2.94Å; I635-K638 PolarHBondContact O-N 3.27Å; I635-F639 WeakPolarHBondContact O-CB 3.41Å; I635-F639 PolarHBondContact O-N 3.4Å; I635-L702 HydrophobicContact CG2-CD1 4.3Å; I635-R705 HydrophobicContact CG2-CB 3.99Å; I635-L706 HydrophobicContact CG2-CD1 4.45Å; I635-K709 HydrophobicContact CB-CD 4.44Å; I635-K709 HydrophobicContact CD1-CD 4.01Å; I635-K709 HydrophobicContact CG2-CD 4.2Å
636	V	83.5	Confident	86.7	Confident	13 Å²	13	34.3 Å²	34.3	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-46.6	-179	175.7	0	0	0	0	111	H632 K638 F639 V640 L706 M775	H632-V636 WeakPolarHBondContact O-CG2 3.32Å; H632-V636 PolarHBondContact O-N 2.93Å; V636-K638 VanDerWaalsContact C-N 3.34Å; V636-K638 PolarHBondContact O-N 3.19Å; V636-F639 PolarHBondContact O-N 3.49Å; V636-V640 HydrophobicContact CG1-CG2 4.26Å; V636-V640 WeakPolarHBondContact O-CB 3.26Å; V636-V640 WeakPolarHBondContact O-CG2 3.5Å; V636-V640 PolarHBondContact O-N 2.85Å; V636-L706 HydrophobicContact CG2-CD1 4.18Å; V636-M775 HydrophobicContact CG1-CB 4.39Å; V636-M775 HydrophobicContact CG2-CB 3.96Å; V636-M775 HydrophobicContact CG2-CG 3.81Å; V636-M775 HydrophobicContact CG2-SD 4.14Å
637	T	84.4	Confident	86.1	Confident	60 Å²	60	35.5 Å²	35.5	37%	0.368	18%	0.183	S	C	.	.	H	α-helix	trans	-62.9	-41.9	178.8	-62.3	0	0	0	0	111.4	F633 V640 N641	F633-T637 WeakPolarHBondContact O-CB 3.43Å; F633-T637 PolarHBondContact O-N 3.23Å; F633-T637 PolarHBondContact O-OG1 3.46Å; T637-V640 PolarHBondContact O-N 3.24Å; T637-N641 VanDerWaalsContact CG2-ND2 3.32Å; T637-N641 WeakPolarHBondContact CG2-ND2 3.46Å; T637-N641 VanDerWaalsContact O-CB 3.3Å; T637-N641 WeakPolarHBondContact O-CB 3.16Å; T637-N641 VanDerWaalsContact O-CG 3.27Å; T637-N641 PolarHBondContact O-N 3.48Å; T637-N641 PolarHBondContact O-ND2 2.98Å
638	K	86.1	Confident	85.4	Confident	80 Å²	80	39.2 Å²	39.2	35%	0.348	20%	0.201	S	C	.	.	H	α-helix	trans	-62.3	-44.5	175.8	-170	176.7	179.5	178.2	0	110.6	D634 I635 V636 T642 E698 L702	D634-K638 WeakPolarHBondContact O-CB 3.37Å; D634-K638 PolarHBondContact O-N 3.19Å; I635-K638 PolarHBondContact O-N 3.27Å; V636-K638 VanDerWaalsContact C-N 3.34Å; V636-K638 PolarHBondContact O-N 3.19Å; K638-T642 WeakPolarHBondContact O-CB 3.36Å; K638-T642 PolarHBondContact O-N 3.35Å; K638-T642 PolarHBondContact O-OG1 2.82Å; K638-T642 VanDerWaalsContact O-OG1 3.04Å; K638-E698 WeakPolarHBondContact CE-OE1 3.41Å; K638-E698 IonicContact NZ-OE1 3.54Å; K638-E698 PolarHBondContact NZ-OE1 2.96Å; K638-L702 HydrophobicContact CB-CD1 4.16Å; K638-L702 HydrophobicContact CB-CD2 4.39Å; K638-L702 HydrophobicContact CD-CD1 4.24Å; K638-L702 HydrophobicContact CD-CD2 4.34Å; K638-L702 HydrophobicContact CG-CD1 4.21Å; K638-L702 HydrophobicContact CG-CD2 3.86Å
639	F	90.1	Very high	84.7	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-51.3	177	-174.8	-82	0	0	0	111.8	I635 V636 N641 T642 L643 S644 L702 I703 L706 G778 V782 F783	I635-F639 WeakPolarHBondContact O-CB 3.41Å; I635-F639 PolarHBondContact O-N 3.4Å; V636-F639 PolarHBondContact O-N 3.49Å; F639-N641 VanDerWaalsContact C-N 3.31Å; F639-N641 PolarHBondContact O-N 2.84Å; F639-T642 PolarHBondContact O-N 3.42Å; F639-L643 HydrophobicContact CD2-CD1 3.72Å; F639-L643 HydrophobicContact CE1-CB 4.34Å; F639-L643 HydrophobicContact CE2-CD1 3.52Å; F639-L643 HydrophobicContact CG-CD1 4.41Å; F639-L643 HydrophobicContact CZ-CB 4.34Å; F639-L643 HydrophobicContact CZ-CD1 4.06Å; F639-L643 WeakPolarHBondContact O-CA 3.39Å; F639-L643 WeakPolarHBondContact O-CB 3.5Å; F639-L643 PolarHBondContact O-N 3.34Å; F639-S644 WeakPolarHBondContact CD1-OG 3.38Å; F639-S644 WeakPolarHBondContact CE1-OG 3.36Å; F639-S644 PolarHBondContact O-N 3.2Å; F639-L702 HydrophobicContact CB-CD1 4.26Å; F639-L702 HydrophobicContact CB-CD2 4.24Å; F639-L702 HydrophobicContact CB-CG 4.13Å; F639-L702 HydrophobicContact CD2-CG 4.1Å; F639-I703 HydrophobicContact CE2-CG1 4.01Å; F639-L706 HydrophobicContact CB-CD2 4.03Å; F639-L706 HydrophobicContact CD1-CD2 3.47Å; F639-L706 VanDerWaalsContact CD1-CD2 3.47Å; F639-L706 HydrophobicContact CD2-CB 4.01Å; F639-L706 HydrophobicContact CD2-CD2 3.34Å; F639-L706 HydrophobicContact CD2-CG 4.27Å; F639-L706 HydrophobicContact CE1-CD2 3.65Å; F639-L706 HydrophobicContact CE2-CB 4.28Å; F639-L706 HydrophobicContact CE2-CD2 3.51Å; F639-L706 HydrophobicContact CG-CD2 3.33Å; F639-L706 HydrophobicContact CG-CG 4.48Å; F639-L706 HydrophobicContact CZ-CD2 3.68Å; F639-G778 WeakPolarHBondContact CE1-O 3.45Å; F639-V782 HydrophobicContact CE1-CB 4.28Å; F639-V782 HydrophobicContact CE1-CG2 3.7Å; F639-V782 HydrophobicContact CZ-CB 4.04Å; F639-V782 HydrophobicContact CZ-CG1 4.41Å; F639-V782 HydrophobicContact CZ-CG2 3.88Å; F639-F783 HydrophobicContact CE2-CE2 4.18Å; F639-F783 HydrophobicContact CZ-CD2 4.33Å; F639-F783 AromaticContact CZ-CE2 3.93Å; F639-F783 HydrophobicContact CZ-CE2 3.93Å
640	V	85.1	Confident	83.8	Confident	35 Å²	35	42 Å²	42	21%	0.212	22%	0.22	C	C	.	.	I	π-helix	trans	-59.9	-42.7	-178.5	169	0	0	0	0	111.3	V636 T637 S644 K645	V636-V640 HydrophobicContact CG1-CG2 4.26Å; V636-V640 WeakPolarHBondContact O-CB 3.26Å; V636-V640 WeakPolarHBondContact O-CG2 3.5Å; V636-V640 PolarHBondContact O-N 2.85Å; T637-V640 PolarHBondContact O-N 3.24Å; V640-S644 PolarHBondContact O-N 3.18Å; V640-K645 HydrophobicContact CG1-CG 4.24Å; V640-K645 WeakPolarHBondContact O-CB 3.34Å; V640-K645 WeakPolarHBondContact O-CG 3.48Å; V640-K645 PolarHBondContact O-N 3.44Å
641	N	85.5	Confident	82.8	Confident	74 Å²	74	44.6 Å²	44.6	40%	0.396	23%	0.232	S	C	.	.	I	π-helix	trans	-73.3	-38.2	-179	-71.7	-29.5	0	0	0	113.1	T637 F639 K645 P646	T637-N641 VanDerWaalsContact CG2-ND2 3.32Å; T637-N641 WeakPolarHBondContact CG2-ND2 3.46Å; T637-N641 VanDerWaalsContact O-CB 3.3Å; T637-N641 WeakPolarHBondContact O-CB 3.16Å; T637-N641 VanDerWaalsContact O-CG 3.27Å; T637-N641 PolarHBondContact O-N 3.48Å; T637-N641 PolarHBondContact O-ND2 2.98Å; F639-N641 VanDerWaalsContact C-N 3.31Å; F639-N641 PolarHBondContact O-N 2.84Å; N641-K645 WeakPolarHBondContact OD1-CD 3.45Å; N641-K645 WeakPolarHBondContact OD1-CE 3.42Å; N641-K645 PolarHBondContact OD1-NZ 3.04Å; N641-P646 WeakPolarHBondContact O-CD 3.49Å
642	T	88.7	Confident	81.4	Confident	49 Å²	49	49.4 Å²	49.4	30%	0.301	25%	0.25	S	S	.	.	I	π-helix	trans	-85.5	-30.3	-175.2	-59.8	0	0	0	0	112.9	K638 F639 P646 N699	K638-T642 WeakPolarHBondContact O-CB 3.36Å; K638-T642 PolarHBondContact O-N 3.35Å; K638-T642 PolarHBondContact O-OG1 2.82Å; K638-T642 VanDerWaalsContact O-OG1 3.04Å; F639-T642 PolarHBondContact O-N 3.42Å; T642-P646 WeakPolarHBondContact O-CG 3.37Å; T642-N699 VanDerWaalsContact CG2-OD1 3.23Å; T642-N699 WeakPolarHBondContact CG2-OD1 3.41Å
643	L	91	Very high	79.7	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.285	C	S	.	.	I	π-helix	trans	-121.1	-56.6	-171.1	-60.1	-179.9	0	0	0	112.7	F639 P646 M647 L694 N699 I703 V782	F639-L643 HydrophobicContact CD2-CD1 3.72Å; F639-L643 HydrophobicContact CE1-CB 4.34Å; F639-L643 HydrophobicContact CE2-CD1 3.52Å; F639-L643 HydrophobicContact CG-CD1 4.41Å; F639-L643 HydrophobicContact CZ-CB 4.34Å; F639-L643 HydrophobicContact CZ-CD1 4.06Å; F639-L643 WeakPolarHBondContact O-CA 3.39Å; F639-L643 WeakPolarHBondContact O-CB 3.5Å; F639-L643 PolarHBondContact O-N 3.34Å; L643-P646 WeakPolarHBondContact O-CD 3.3Å; L643-M647 WeakPolarHBondContact O-CG 3.35Å; L643-M647 PolarHBondContact O-N 2.87Å; L643-L694 HydrophobicContact CD1-CD2 4.34Å; L643-L694 HydrophobicContact CD2-CD2 3.91Å; L643-N699 HydrophobicContact CD2-CB 4.18Å; L643-I703 HydrophobicContact CD1-CD1 4.05Å; L643-I703 HydrophobicContact CD1-CG1 3.74Å; L643-V782 HydrophobicContact CB-CG2 4.05Å
644	S	87.7	Confident	77.8	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.028	30%	0.301	C	S	.	.	I	π-helix	trans	-66.8	-49.2	-173.9	-43	0	0	0	0	113	F639 V640 M647 L648 G778	F639-S644 WeakPolarHBondContact CD1-OG 3.38Å; F639-S644 WeakPolarHBondContact CE1-OG 3.36Å; F639-S644 PolarHBondContact O-N 3.2Å; V640-S644 PolarHBondContact O-N 3.18Å; S644-M647 WeakPolarHBondContact O-CB 3.44Å; S644-M647 PolarHBondContact O-N 3.08Å; S644-L648 WeakPolarHBondContact O-CG 3.27Å; S644-L648 PolarHBondContact O-N 3.44Å; S644-G778 PolarHBondContact OG-O 2.81Å
645	K	85.9	Confident	75.9	Confident	117 Å²	117	65.5 Å²	65.5	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-45.7	-179.7	-77.9	-179.3	-177.4	169	0	112.9	V640 N641 M647 L648 A649	V640-K645 HydrophobicContact CG1-CG 4.24Å; V640-K645 WeakPolarHBondContact O-CB 3.34Å; V640-K645 WeakPolarHBondContact O-CG 3.48Å; V640-K645 PolarHBondContact O-N 3.44Å; N641-K645 WeakPolarHBondContact OD1-CD 3.45Å; N641-K645 WeakPolarHBondContact OD1-CE 3.42Å; N641-K645 PolarHBondContact OD1-NZ 3.04Å; K645-M647 VanDerWaalsContact C-N 3.32Å; K645-M647 PolarHBondContact O-N 3.45Å; K645-L648 PolarHBondContact O-N 3.41Å; K645-A649 WeakPolarHBondContact O-CB 3.47Å; K645-A649 PolarHBondContact O-N 3.43Å
646	P	84.9	Confident	73.6	Confident	48 Å²	48	76.2 Å²	76.2	31%	0.312	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-37.8	173	-29.4	38.5	0	0	0	113.7	N641 T642 L643 A649 K650	N641-P646 WeakPolarHBondContact O-CD 3.49Å; T642-P646 WeakPolarHBondContact O-CG 3.37Å; L643-P646 WeakPolarHBondContact O-CD 3.3Å; P646-A649 PolarHBondContact O-N 3.11Å; P646-K650 WeakPolarHBondContact O-CG 3.44Å; P646-K650 PolarHBondContact O-N 3.16Å
647	M	81.9	Confident	71.4	Confident	26 Å²	26	80.2 Å²	80.2	13%	0.128	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-47.7	173.8	-76.7	-65.7	103.4	0	0	111.9	L643 S644 K645 A649 K650 N651 T690 V782	L643-M647 WeakPolarHBondContact O-CG 3.35Å; L643-M647 PolarHBondContact O-N 2.87Å; S644-M647 WeakPolarHBondContact O-CB 3.44Å; S644-M647 PolarHBondContact O-N 3.08Å; K645-M647 VanDerWaalsContact C-N 3.32Å; K645-M647 PolarHBondContact O-N 3.45Å; M647-A649 PolarHBondContact O-N 2.77Å; M647-K650 HydrophobicContact CE-CD 3.94Å; M647-K650 PolarHBondContact O-N 2.94Å; M647-N651 PolarHBondContact O-N 2.63Å; M647-T690 HydrophobicContact CE-CG2 3.34Å; M647-T690 HydrophobicContact SD-CG2 3.6Å; M647-V782 HydrophobicContact CG-CG2 4.36Å
648	L	79.7	Confident	69.2	Low	83 Å²	83	81.6 Å²	81.6	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-40.1	176.8	-66.5	174.3	0	0	0	112.9	S644 K645 K650 N651 R652 C781	S644-L648 WeakPolarHBondContact O-CG 3.27Å; S644-L648 PolarHBondContact O-N 3.44Å; K645-L648 PolarHBondContact O-N 3.41Å; L648-K650 VanDerWaalsContact C-N 3.34Å; L648-N651 PolarHBondContact O-N 2.78Å; L648-R652 PolarHBondContact O-N 3.42Å; L648-C781 VanDerWaalsContact CD2-SG 3.51Å; L648-C781 WeakPolarHBondContact CG-SG 3.44Å
649	A	77.8	Confident	66.6	Low	37 Å²	37	84.6 Å²	84.6	31%	0.306	43%	0.434	S	S	.	.	H	α-helix	trans	-63.5	-40.7	177.8	0	0	0	0	0	111.6	K645 P646 M647 N651 R652 H653	K645-A649 WeakPolarHBondContact O-CB 3.47Å; K645-A649 PolarHBondContact O-N 3.43Å; P646-A649 PolarHBondContact O-N 3.11Å; M647-A649 PolarHBondContact O-N 2.77Å; A649-N651 VanDerWaalsContact C-N 3.28Å; A649-N651 PolarHBondContact O-N 3.35Å; A649-R652 PolarHBondContact O-N 3.45Å; A649-H653 PolarHBondContact O-CD2 3.32Å
650	K	67	Low	63.8	Low	67 Å²	67	87.8 Å²	87.8	29%	0.291	47%	0.467	S	S	.	.	H	α-helix	trans	-61.2	-35.7	175.1	-75.4	-174.2	-174.3	-172.6	0	111.8	P646 M647 L648 R686 S689 T690	P646-K650 WeakPolarHBondContact O-CG 3.44Å; P646-K650 PolarHBondContact O-N 3.16Å; M647-K650 HydrophobicContact CE-CD 3.94Å; M647-K650 PolarHBondContact O-N 2.94Å; L648-K650 VanDerWaalsContact C-N 3.34Å; K650-R686 PolarHBondContact O-NH2 3.3Å; K650-S689 PolarHBondContact NZ-OG 2.85Å; K650-S689 VanDerWaalsContact NZ-OG 3.11Å; K650-T690 PolarHBondContact NZ-OG1 2.92Å
651	N	61.6	Low	61.1	Low	96 Å²	96	91.9 Å²	91.9	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-70.1	-35.8	-179.1	-72.4	-16.8	0	0	0	113.7	M647 L648 A649 H653	M647-N651 PolarHBondContact O-N 2.63Å; L648-N651 PolarHBondContact O-N 2.78Å; A649-N651 VanDerWaalsContact C-N 3.28Å; A649-N651 PolarHBondContact O-N 3.35Å; N651-H653 PolarHBondContact O-N 3.01Å
652	R	51.7	Low	58.2	Low	163 Å²	163	96.7 Å²	96.7	62%	0.615	52%	0.52	S	S	*	.	H	α-helix	trans	-71.3	-19.4	-177.6	-70.2	-172.5	-66.6	-118.1	-1	115.9	L648 A649 H654	L648-R652 PolarHBondContact O-N 3.42Å; A649-R652 PolarHBondContact O-N 3.45Å; R652-H654 PolarHBondContact O-N 3.29Å
653	H	49.6	Very low	55.2	Low	160 Å²	160	98.6 Å²	98.6	74%	0.741	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.1	-179	-84.8	-77.1	0	0	0	114.1	A649 N651	A649-H653 PolarHBondContact O-CD2 3.32Å; N651-H653 PolarHBondContact O-N 3.01Å
654	H	45.7	Very low	52.1	Low	113 Å²	113	103.6 Å²	103.6	52%	0.523	57%	0.57	S	S	.	*	S	Bend	trans	-91.2	-27.4	177.8	-104.1	-66.7	0	0	0	114.7	R652 R656 S657	R652-H654 PolarHBondContact O-N 3.29Å; H654-R656 PolarHBondContact O-N 2.65Å; H654-S657 PolarHBondContact O-N 3.37Å; H654-S657 PolarHBondContact O-OG 3.11Å
655	D	41.2	Very low	49.1	Very low	141 Å²	141	111.3 Å²	111.3	75%	0.754	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-12.5	179.4	-78.7	-19	0	0	0	113.4
656	R	36.7	Very low	46.2	Very low	233 Å²	233	113.5 Å²	113.5	88%	0.879	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-5.1	179.9	-75.7	-171.1	173.3	-170.4	-1.8	115.2	H654 S658	H654-R656 PolarHBondContact O-N 2.65Å; R656-S658 VanDerWaalsContact C-N 3.34Å
657	S	38	Very low	43.3	Very low	96 Å²	96	116.5 Å²	116.5	67%	0.671	64%	0.642	S	S	*	*	S	Bend	trans	-91.5	11.1	177.9	62.5	0	0	0	0	114.2	H654	H654-S657 PolarHBondContact O-N 3.37Å; H654-S657 PolarHBondContact O-OG 3.11Å
658	S	37.2	Very low	40.4	Very low	90 Å²	90	121.6 Å²	121.6	63%	0.629	68%	0.679	S	S	*	*	S	Bend	trans	-140.2	128.3	170.5	-158.3	0	0	0	0	111.2	R656	R656-S658 VanDerWaalsContact C-N 3.34Å
659	V	30.8	Very low	37.7	Very low	143 Å²	143	122.7 Å²	122.7	87%	0.867	69%	0.693	S	S	*	*			trans	82.6	115.5	172.7	-158.6	0	0	0	0	116.8
660	G	32.1	Very low	35	Very low	67 Å²	67	129.7 Å²	129.7	69%	0.691	72%	0.721	S	S	*	*			trans	-76.9	176.8	178.5	0	0	0	0	0	114.7	M662	G660-M662 PolarHBondContact O-N 3.35Å
661	S	28.5	Very low	32.8	Very low	121 Å²	121	129.8 Å²	129.8	85%	0.846	74%	0.742	S	S	*	*			trans	-3.6	112.5	164.9	-58.3	0	0	0	0	116.6
662	M	25.2	Very low	30.9	Very low	176 Å²	176	133.4 Å²	133.4	87%	0.867	76%	0.758	S	S	*	*				175.2	162.8	108.5	-89.1	-168.7	79.5	0	0	110.9	G660	G660-M662 PolarHBondContact O-N 3.35Å
663	S	24.9	Very low	29.6	Very low	89 Å²	89	131.2 Å²	131.2	62%	0.622	76%	0.762	S	S	*	*			trans	-50.6	153.2	-173.5	48.3	0	0	0	0	118.2
664	S	26	Very low	28.3	Very low	106 Å²	106	131 Å²	131	74%	0.741	77%	0.765	S	S	*	*			trans	64.9	122.5	142.6	61.6	0	0	0	0	120.5
665	M	24.5	Very low	27.4	Very low	166 Å²	166	131 Å²	131	82%	0.818	78%	0.778	S	S	*	*			trans	76.7	116.8	148.5	-97.7	150.4	103.1	0	0	120.4
666	E	25.4	Very low	26.6	Very low	162 Å²	162	133 Å²	133	76%	0.757	78%	0.782	S	S	*	*			trans	48.3	126.6	134.5	-67	178.1	167.1	0	0	121.2
667	S	24	Very low	26.3	Very low	112 Å²	112	127 Å²	127	78%	0.783	78%	0.777	S	S	*	*			trans	71.2	117.3	158.6	-59.2	0	0	0	0	117.4
668	C	21.1	Very low	25.7	Very low	133 Å²	133	129.8 Å²	129.8	90%	0.899	79%	0.789	S	S	*	*				170	157.6	107.7	-93.1	0	0	0	0	113.4
669	S	22.3	Very low	25.5	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	79%	0.79	S	S	*	*			trans	-67.6	159.5	178.2	-171.4	0	0	0	0	114.7
670	M	20.7	Very low	25.7	Very low	184 Å²	184	129.3 Å²	129.3	91%	0.906	79%	0.79	S	S	*	*			trans	51.4	113.1	148.7	-87.4	-82.2	-93	0	0	120
671	G	20.7	Very low	25.9	Very low	70 Å²	70	129.4 Å²	129.4	72%	0.722	78%	0.78	S	S	*	*			trans	162.3	118.8	147.5	0	0	0	0	0	115.3
672	M	23.3	Very low	26.5	Very low	171 Å²	171	128.2 Å²	128.2	84%	0.842	77%	0.769	S	S	*	*				123.3	118.9	123.4	-138	66.5	177	0	0	118.4
673	T	23.2	Very low	27	Very low	117 Å²	117	121.7 Å²	121.7	72%	0.718	75%	0.747	S	S	*	*			trans	61.1	124	142.6	44.6	0	0	0	0	123.4
674	I	23.5	Very low	27.8	Very low	155 Å²	155	124.6 Å²	124.6	80%	0.795	75%	0.751	S	S	*	*			trans	-78.8	121.3	165.9	-60.4	167.6	0	0	0	108.7
675	S	26.4	Very low	28.8	Very low	114 Å²	114	127.2 Å²	127.2	80%	0.797	75%	0.751	S	S	*	*			trans	-119.7	125.6	164.3	43.7	0	0	0	0	109.9
676	H	24.7	Very low	30.1	Very low	182 Å²	182	123.7 Å²	123.7	84%	0.843	73%	0.729	S	S	*	*			trans	-76.1	121.8	177.7	-78	-9.7	0	0	0	111
677	S	28.9	Very low	31.8	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	72%	0.722	S	S	*	*			trans	-144.8	128.2	154.3	60.1	0	0	0	0	110.6	S679	S677-S679 PolarHBondContact O-N 3.22Å
678	T	27	Very low	34	Very low	153 Å²	153	118.9 Å²	118.9	94%	0.939	70%	0.703	S	S	*	*			trans	-87.7	102.8	-169.6	-12.8	0	0	0	0	109.6
679	S	32.6	Very low	36.6	Very low	93 Å²	93	114.8 Å²	114.8	65%	0.65	68%	0.675	S	S	*	*	S	Bend	trans	-158.5	150.4	165.9	51	0	0	0	0	108.5	S677 S681	S677-S679 PolarHBondContact O-N 3.22Å; S679-S681 PolarHBondContact O-N 2.8Å
680	P	35.5	Very low	39.3	Very low	131 Å²	131	110.9 Å²	110.9	85%	0.851	65%	0.647	S	S	*	*			trans	-60.4	128.4	-157.6	23.4	-31.6	0	0	0	111.5
681	S	35.9	Very low	42.3	Very low	69 Å²	69	104.9 Å²	104.9	48%	0.483	62%	0.618	S	S	.	*			trans	-66.3	126.2	-161.2	59.3	0	0	0	0	112.8	S679 G683 Q684	S679-S681 PolarHBondContact O-N 2.8Å; S681-G683 PolarHBondContact O-N 2.84Å; S681-Q684 PolarHBondContact O-N 3.31Å
682	P	40.4	Very low	45.4	Very low	95 Å²	95	107.4 Å²	107.4	62%	0.617	61%	0.611	S	S	*	*	H	α-helix	trans	-61.1	-10.1	174	20.6	-30.5	0	0	0	114.3
683	G	36.7	Very low	48.4	Very low	39 Å²	39	101.9 Å²	101.9	40%	0.402	59%	0.585	S	S	.	*	H	α-helix	trans	-67.8	-31.8	178.2	0	0	0	0	0	114.7	S681 R686 I687	S681-G683 PolarHBondContact O-N 2.84Å; G683-R686 PolarHBondContact O-N 3.48Å; G683-I687 WeakPolarHBondContact O-CG1 3.23Å; G683-I687 PolarHBondContact O-N 3.46Å
684	Q	40.2	Very low	51.6	Low	151 Å²	151	96.4 Å²	96.4	71%	0.706	55%	0.552	S	S	*	*	H	α-helix	trans	-79.5	-41.1	-171.2	-141.3	158.7	-5.3	0	0	112.3	S681 R686 S688	S681-Q684 PolarHBondContact O-N 3.31Å; Q684-R686 VanDerWaalsContact C-N 3.27Å; Q684-R686 PolarHBondContact O-N 2.81Å; Q684-S688 PolarHBondContact O-N 2.97Å
685	E	46.7	Very low	54.8	Low	161 Å²	161	90.9 Å²	90.9	75%	0.752	53%	0.527	S	S	*	.	H	α-helix	trans	-62.1	-34.7	170.8	-70.2	-176.6	167.3	0	0	111.9	S688 S689	E685-S688 PolarHBondContact O-N 2.97Å; E685-S689 PolarHBondContact O-N 3.32Å
686	R	53.2	Low	57.9	Low	91 Å²	91	88.3 Å²	88.3	34%	0.343	51%	0.506	S	S	.	.	H	α-helix	trans	-68.4	-43.7	-178.6	-157.9	-178.3	-166.8	-150.2	6.9	112.7	K650 G683 Q684 S689 T690	K650-R686 PolarHBondContact O-NH2 3.3Å; G683-R686 PolarHBondContact O-N 3.48Å; Q684-R686 VanDerWaalsContact C-N 3.27Å; Q684-R686 PolarHBondContact O-N 2.81Å; R686-S689 PolarHBondContact O-OG 2.97Å; R686-T690 PolarHBondContact O-N 3.37Å; R686-T690 PolarHBondContact O-OG1 3.35Å
687	I	59.9	Low	61.1	Low	120 Å²	120	82.6 Å²	82.6	62%	0.615	49%	0.49	S	S	*	.	H	α-helix	trans	-64.7	-44.7	175.4	-65.2	168.2	0	0	0	109.6	G683 S689 T690 L691	G683-I687 WeakPolarHBondContact O-CG1 3.23Å; G683-I687 PolarHBondContact O-N 3.46Å; I687-S689 PolarHBondContact O-N 3.09Å; I687-T690 PolarHBondContact O-N 2.99Å; I687-L691 WeakPolarHBondContact O-CB 3.22Å; I687-L691 PolarHBondContact O-N 3.39Å
688	S	70.6	Confident	64.1	Low	54 Å²	54	82.9 Å²	82.9	38%	0.378	48%	0.48	S	S	.	.	H	α-helix	trans	-57.2	-51.9	177.3	-159.8	0	0	0	0	111.8	Q684 E685 T690 L691 E692	Q684-S688 PolarHBondContact O-N 2.97Å; E685-S688 PolarHBondContact O-N 2.97Å; S688-T690 PolarHBondContact O-N 3.28Å; S688-T690 VanDerWaalsContact O-N 3.17Å; S688-L691 PolarHBondContact O-N 3.21Å; S688-E692 WeakPolarHBondContact O-CB 3.48Å; S688-E692 VanDerWaalsContact O-CG 3.29Å; S688-E692 WeakPolarHBondContact O-CG 3.28Å; S688-E692 PolarHBondContact O-N 3.12Å; S688-E692 PolarHBondContact OG-OE1 3.39Å
689	S	76.6	Confident	67.2	Low	46 Å²	46	75.9 Å²	75.9	32%	0.322	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-29	-179.2	74.6	0	0	0	0	114	K650 E685 R686 I687 N693	K650-S689 PolarHBondContact NZ-OG 2.85Å; K650-S689 VanDerWaalsContact NZ-OG 3.11Å; E685-S689 PolarHBondContact O-N 3.32Å; R686-S689 PolarHBondContact O-OG 2.97Å; I687-S689 PolarHBondContact O-N 3.09Å; S689-N693 PolarHBondContact O-N 3.05Å
690	T	79.3	Confident	70.2	Confident	23 Å²	23	73.7 Å²	73.7	14%	0.141	41%	0.414	C	S	.	.	H	α-helix	trans	-79.2	-44.8	179.7	-61.5	0	0	0	0	110.3	M647 K650 R686 I687 S688 E692 N693 L694	M647-T690 HydrophobicContact CE-CG2 3.34Å; M647-T690 HydrophobicContact SD-CG2 3.6Å; K650-T690 PolarHBondContact NZ-OG1 2.92Å; R686-T690 PolarHBondContact O-N 3.37Å; R686-T690 PolarHBondContact O-OG1 3.35Å; I687-T690 PolarHBondContact O-N 2.99Å; S688-T690 PolarHBondContact O-N 3.28Å; S688-T690 VanDerWaalsContact O-N 3.17Å; T690-E692 VanDerWaalsContact C-N 3.35Å; T690-N693 PolarHBondContact O-N 3.37Å; T690-L694 HydrophobicContact CG2-CD1 4.16Å; T690-L694 WeakPolarHBondContact O-CG 3.33Å; T690-L694 PolarHBondContact O-N 2.89Å
691	L	83.2	Confident	73.1	Confident	59 Å²	59	69.1 Å²	69.1	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-43.3	175.4	-173.1	66.4	0	0	0	111.3	S538 I539 I687 S688 N693 L694 S695	S538-L691 WeakPolarHBondContact OG-CD1 3.28Å; I539-L691 HydrophobicContact CG2-CD1 3.44Å; I539-L691 VanDerWaalsContact CG2-CD1 3.44Å; I687-L691 WeakPolarHBondContact O-CB 3.22Å; I687-L691 PolarHBondContact O-N 3.39Å; S688-L691 PolarHBondContact O-N 3.21Å; L691-N693 VanDerWaalsContact C-N 3.35Å; L691-N693 PolarHBondContact O-N 3.16Å; L691-L694 PolarHBondContact O-N 2.87Å; L691-S695 WeakPolarHBondContact O-CB 3.34Å; L691-S695 PolarHBondContact O-N 3.49Å; L691-S695 PolarHBondContact O-OG 3.25Å
692	E	84.8	Confident	75.9	Confident	122 Å²	122	66 Å²	66	57%	0.57	36%	0.362	S	S	*	.	H	α-helix	trans	-58.3	-44.5	175.7	-76.2	165.9	-147.2	0	0	112	S688 T690 S695	S688-E692 WeakPolarHBondContact O-CB 3.48Å; S688-E692 VanDerWaalsContact O-CG 3.29Å; S688-E692 WeakPolarHBondContact O-CG 3.28Å; S688-E692 PolarHBondContact O-N 3.12Å; S688-E692 PolarHBondContact OG-OE1 3.39Å; T690-E692 VanDerWaalsContact C-N 3.35Å; E692-S695 PolarHBondContact O-N 3.24Å
693	N	87.2	Confident	78.6	Confident	55 Å²	55	61.5 Å²	61.5	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-47	177	-175	53.7	0	0	0	111.6	S689 T690 L691 S695 T696 N699	S689-N693 PolarHBondContact O-N 3.05Å; T690-N693 PolarHBondContact O-N 3.37Å; L691-N693 VanDerWaalsContact C-N 3.35Å; L691-N693 PolarHBondContact O-N 3.16Å; N693-S695 VanDerWaalsContact C-N 3.26Å; N693-S695 PolarHBondContact O-N 3.02Å; N693-T696 PolarHBondContact O-N 2.96Å; N693-T696 PolarHBondContact O-OG1 3.32Å; N693-N699 PolarHBondContact O-ND2 2.77Å; N693-N699 PolarHBondContact OD1-ND2 3.48Å
694	L	90.7	Very high	81.6	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-31.9	178.6	-67.3	172.1	0	0	0	112.4	I539 L643 T690 L691 T696 I703 V782 F783	I539-L694 HydrophobicContact CD1-CB 4.06Å; I539-L694 HydrophobicContact CG2-CB 3.96Å; L643-L694 HydrophobicContact CD1-CD2 4.34Å; L643-L694 HydrophobicContact CD2-CD2 3.91Å; T690-L694 HydrophobicContact CG2-CD1 4.16Å; T690-L694 WeakPolarHBondContact O-CG 3.33Å; T690-L694 PolarHBondContact O-N 2.89Å; L691-L694 PolarHBondContact O-N 2.87Å; L694-T696 VanDerWaalsContact C-N 3.29Å; L694-T696 PolarHBondContact O-N 3.14Å; L694-I703 HydrophobicContact CD2-CD1 4.07Å; L694-V782 HydrophobicContact CD2-CG1 3.86Å; L694-F783 HydrophobicContact CD1-CE1 4.44Å; L694-F783 HydrophobicContact CD2-CZ 4.34Å
695	S	89.3	Confident	84.3	Confident	39 Å²	39	54.8 Å²	54.8	27%	0.273	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.7	-175.7	-60.5	0	0	0	0	114.4	I539 L691 E692 N693 R700	I539-S695 WeakPolarHBondContact CG2-OG 3.5Å; L691-S695 WeakPolarHBondContact O-CB 3.34Å; L691-S695 PolarHBondContact O-N 3.49Å; L691-S695 PolarHBondContact O-OG 3.25Å; E692-S695 PolarHBondContact O-N 3.24Å; N693-S695 VanDerWaalsContact C-N 3.26Å; N693-S695 PolarHBondContact O-N 3.02Å; S695-R700 PolarHBondContact O-NH1 3.3Å
696	T	92.7	Very high	86.8	Confident	59 Å²	59	47.2 Å²	47.2	36%	0.362	25%	0.253	S	S	.	.	S	Bend	trans	-65.4	146.1	176.4	69.2	0	0	0	0	111.1	N693 L694 E698 N699 R700	N693-T696 PolarHBondContact O-N 2.96Å; N693-T696 PolarHBondContact O-OG1 3.32Å; L694-T696 VanDerWaalsContact C-N 3.29Å; L694-T696 PolarHBondContact O-N 3.14Å; T696-E698 PolarHBondContact O-N 3.09Å; T696-N699 PolarHBondContact O-N 3.09Å; T696-N699 VanDerWaalsContact O-N 3.1Å; T696-N699 VanDerWaalsContact OG1-CB 3.24Å; T696-N699 WeakPolarHBondContact OG1-CB 3.14Å; T696-N699 PolarHBondContact OG1-N 3.31Å; T696-N699 PolarHBondContact OG1-ND2 3.46Å; T696-R700 WeakPolarHBondContact O-CG 3.3Å; T696-R700 PolarHBondContact O-N 2.83Å
697	A	90.8	Very high	88.9	Confident	62 Å²	62	42.9 Å²	42.9	51%	0.512	24%	0.237	S	C	.	.	H	α-helix	trans	-59	-35.9	-177.5	0	0	0	0	0	113.1	T701	A697-T701 WeakPolarHBondContact O-CB 3.32Å; A697-T701 PolarHBondContact O-N 3.05Å; A697-T701 VanDerWaalsContact O-N 3.08Å; A697-T701 PolarHBondContact O-OG1 3.17Å
698	E	91.8	Very high	90.8	Very high	115 Å²	115	37.1 Å²	37.1	54%	0.537	21%	0.207	S	C	.	.	H	α-helix	trans	-65.8	-45.9	174.8	-176.4	174.5	-172.9	0	0	111.6	K638 T696 T701 L702	K638-E698 WeakPolarHBondContact CE-OE1 3.41Å; K638-E698 IonicContact NZ-OE1 3.54Å; K638-E698 PolarHBondContact NZ-OE1 2.96Å; T696-E698 PolarHBondContact O-N 3.09Å; E698-T701 WeakPolarHBondContact O-CB 3.15Å; E698-T701 PolarHBondContact O-N 3.5Å; E698-L702 PolarHBondContact O-N 3.42Å
699	N	93.6	Very high	92.1	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-70	-37.6	179.8	-69.4	-16.6	0	0	0	111.9	T642 L643 N693 T696 T701 L702 I703	T642-N699 VanDerWaalsContact CG2-OD1 3.23Å; T642-N699 WeakPolarHBondContact CG2-OD1 3.41Å; L643-N699 HydrophobicContact CD2-CB 4.18Å; N693-N699 PolarHBondContact O-ND2 2.77Å; N693-N699 PolarHBondContact OD1-ND2 3.48Å; T696-N699 PolarHBondContact O-N 3.09Å; T696-N699 VanDerWaalsContact O-N 3.1Å; T696-N699 VanDerWaalsContact OG1-CB 3.24Å; T696-N699 WeakPolarHBondContact OG1-CB 3.14Å; T696-N699 PolarHBondContact OG1-N 3.31Å; T696-N699 PolarHBondContact OG1-ND2 3.46Å; N699-T701 VanDerWaalsContact C-N 3.29Å; N699-T701 PolarHBondContact O-N 2.74Å; N699-L702 PolarHBondContact O-N 3.27Å; N699-I703 WeakPolarHBondContact O-CB 3.48Å; N699-I703 WeakPolarHBondContact O-CD1 3.38Å; N699-I703 WeakPolarHBondContact O-CG1 3.48Å; N699-I703 PolarHBondContact O-N 3.36Å
700	R	95.1	Very high	93.1	Very high	47 Å²	47	32.5 Å²	32.5	18%	0.177	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-39.1	171.7	-65.9	-159.5	-46	-88.7	3.4	112.2	I539 D544 S695 T696 I703 K704	I539-R700 WeakPolarHBondContact O-CD 3.39Å; D544-R700 IonicContact OD2-NE 2.87Å; D544-R700 PolarHBondContact OD2-NE 3.12Å; S695-R700 PolarHBondContact O-NH1 3.3Å; T696-R700 WeakPolarHBondContact O-CG 3.3Å; T696-R700 PolarHBondContact O-N 2.83Å; R700-I703 PolarHBondContact O-N 3.14Å; R700-K704 WeakPolarHBondContact O-CB 3.34Å; R700-K704 WeakPolarHBondContact O-CG 3.38Å; R700-K704 PolarHBondContact O-N 3.2Å
701	T	95.9	Very high	94.1	Very high	35 Å²	35	31.4 Å²	31.4	22%	0.215	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-45.9	174.5	-58.5	0	0	0	0	110.9	D622 A697 E698 N699 K704 R705	D622-T701 WeakPolarHBondContact OD2-CG2 3.44Å; A697-T701 WeakPolarHBondContact O-CB 3.32Å; A697-T701 PolarHBondContact O-N 3.05Å; A697-T701 VanDerWaalsContact O-N 3.08Å; A697-T701 PolarHBondContact O-OG1 3.17Å; E698-T701 WeakPolarHBondContact O-CB 3.15Å; E698-T701 PolarHBondContact O-N 3.5Å; N699-T701 VanDerWaalsContact C-N 3.29Å; N699-T701 PolarHBondContact O-N 2.74Å; T701-K704 PolarHBondContact O-N 3.36Å; T701-R705 WeakPolarHBondContact O-CG 3.43Å; T701-R705 PolarHBondContact O-N 3.31Å
702	L	95.5	Very high	94.8	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-38.8	178.2	-174.6	57.2	0	0	0	112.9	I635 K638 F639 E698 N699 R705 L706	I635-L702 HydrophobicContact CG2-CD1 4.3Å; K638-L702 HydrophobicContact CB-CD1 4.16Å; K638-L702 HydrophobicContact CB-CD2 4.39Å; K638-L702 HydrophobicContact CD-CD1 4.24Å; K638-L702 HydrophobicContact CD-CD2 4.34Å; K638-L702 HydrophobicContact CG-CD1 4.21Å; K638-L702 HydrophobicContact CG-CD2 3.86Å; F639-L702 HydrophobicContact CB-CD1 4.26Å; F639-L702 HydrophobicContact CB-CD2 4.24Å; F639-L702 HydrophobicContact CB-CG 4.13Å; F639-L702 HydrophobicContact CD2-CG 4.1Å; E698-L702 PolarHBondContact O-N 3.42Å; N699-L702 PolarHBondContact O-N 3.27Å; L702-R705 PolarHBondContact O-N 2.8Å; L702-L706 PolarHBondContact O-N 3.43Å
703	I	97.8	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.6	-46.6	175.9	-69.4	158.9	0	0	0	110.2	I539 F639 L643 L694 N699 R700 R705 L706 I707 F783	I539-I703 HydrophobicContact CD1-CD1 3.49Å; I539-I703 VanDerWaalsContact CD1-CD1 3.49Å; F639-I703 HydrophobicContact CE2-CG1 4.01Å; L643-I703 HydrophobicContact CD1-CD1 4.05Å; L643-I703 HydrophobicContact CD1-CG1 3.74Å; L694-I703 HydrophobicContact CD2-CD1 4.07Å; N699-I703 WeakPolarHBondContact O-CB 3.48Å; N699-I703 WeakPolarHBondContact O-CD1 3.38Å; N699-I703 WeakPolarHBondContact O-CG1 3.48Å; N699-I703 PolarHBondContact O-N 3.36Å; R700-I703 PolarHBondContact O-N 3.14Å; I703-R705 VanDerWaalsContact C-N 3.35Å; I703-R705 PolarHBondContact O-N 2.71Å; I703-L706 PolarHBondContact O-N 2.98Å; I703-L706 VanDerWaalsContact O-N 3.09Å; I703-I707 HydrophobicContact CG2-CD1 3.84Å; I703-I707 HydrophobicContact CG2-CG1 4.31Å; I703-I707 WeakPolarHBondContact O-CG1 3.49Å; I703-I707 PolarHBondContact O-N 2.6Å; I703-F783 HydrophobicContact CD1-CZ 3.97Å; I703-F783 HydrophobicContact CG1-CE2 4.17Å; I703-F783 HydrophobicContact CG1-CZ 4.05Å; I703-F783 HydrophobicContact CG2-CE2 4.04Å; I703-F783 HydrophobicContact CG2-CZ 4.04Å
704	K	98.3	Very high	95.9	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-43.9	175.3	-76.8	-174.3	-61.4	-167.7	0	112.8	D544 Y619 M623 R700 T701 L706 I707 I708	D544-K704 HydrophobicContact CB-CD 4.11Å; D544-K704 IonicContact OD1-NZ 2.67Å; D544-K704 PolarHBondContact OD1-NZ 3.28Å; Y619-K704 VanDerWaalsContact CG-NZ 3.25Å; M623-K704 HydrophobicContact CG-CB 4.26Å; M623-K704 HydrophobicContact SD-CB 3.8Å; M623-K704 HydrophobicContact SD-CD 4.31Å; M623-K704 HydrophobicContact SD-CG 4.37Å; R700-K704 WeakPolarHBondContact O-CB 3.34Å; R700-K704 WeakPolarHBondContact O-CG 3.38Å; R700-K704 PolarHBondContact O-N 3.2Å; T701-K704 PolarHBondContact O-N 3.36Å; K704-L706 VanDerWaalsContact C-N 3.31Å; K704-L706 PolarHBondContact O-N 2.77Å; K704-I707 PolarHBondContact O-N 2.91Å; K704-I708 PolarHBondContact O-N 3.13Å
705	R	98.2	Very high	96.3	Very high	46 Å²	46	22.2 Å²	22.2	17%	0.174	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-41.2	173.6	-70.1	179.9	-172.3	168.1	4.9	112	D622 A626 I635 T701 L702 I703 I708 K709	D622-R705 IonicContact OD1-CZ 3.08Å; D622-R705 VanDerWaalsContact OD1-CZ 3.27Å; D622-R705 IonicContact OD1-NE 3.48Å; D622-R705 PolarHBondContact OD1-NE 3.37Å; D622-R705 IonicContact OD1-NH2 3.36Å; D622-R705 PolarHBondContact OD1-NH2 3.18Å; D622-R705 IonicContact OD2-CZ 3.61Å; D622-R705 VanDerWaalsContact OD2-CZ 3.26Å; D622-R705 IonicContact OD2-NE 3.59Å; D622-R705 PolarHBondContact OD2-NE 2.72Å; D622-R705 IonicContact OD2-NH2 2.77Å; D622-R705 PolarHBondContact OD2-NH2 3.44Å; A626-R705 HydrophobicContact CB-CB 4.05Å; A626-R705 HydrophobicContact CB-CG 3.76Å; I635-R705 HydrophobicContact CG2-CB 3.99Å; T701-R705 WeakPolarHBondContact O-CG 3.43Å; T701-R705 PolarHBondContact O-N 3.31Å; L702-R705 PolarHBondContact O-N 2.8Å; I703-R705 VanDerWaalsContact C-N 3.35Å; I703-R705 PolarHBondContact O-N 2.71Å; R705-I708 VanDerWaalsContact O-CG2 3.23Å; R705-I708 WeakPolarHBondContact O-CG2 3.38Å; R705-K709 VanDerWaalsContact O-CG 3.3Å; R705-K709 WeakPolarHBondContact O-CG 3.1Å; R705-K709 PolarHBondContact O-N 3.36Å
706	L	97.9	Very high	96.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-73.7	-35.3	179.3	-159.3	64.9	0	0	0	112.3	I635 V636 F639 L702 I703 K704 K709 C710 M775 F779	I635-L706 HydrophobicContact CG2-CD1 4.45Å; V636-L706 HydrophobicContact CG2-CD1 4.18Å; F639-L706 HydrophobicContact CB-CD2 4.03Å; F639-L706 HydrophobicContact CD1-CD2 3.47Å; F639-L706 VanDerWaalsContact CD1-CD2 3.47Å; F639-L706 HydrophobicContact CD2-CB 4.01Å; F639-L706 HydrophobicContact CD2-CD2 3.34Å; F639-L706 HydrophobicContact CD2-CG 4.27Å; F639-L706 HydrophobicContact CE1-CD2 3.65Å; F639-L706 HydrophobicContact CE2-CB 4.28Å; F639-L706 HydrophobicContact CE2-CD2 3.51Å; F639-L706 HydrophobicContact CG-CD2 3.33Å; F639-L706 HydrophobicContact CG-CG 4.48Å; F639-L706 HydrophobicContact CZ-CD2 3.68Å; L702-L706 PolarHBondContact O-N 3.43Å; I703-L706 PolarHBondContact O-N 2.98Å; I703-L706 VanDerWaalsContact O-N 3.09Å; K704-L706 VanDerWaalsContact C-N 3.31Å; K704-L706 PolarHBondContact O-N 2.77Å; L706-K709 PolarHBondContact O-N 3.08Å; L706-C710 WeakPolarHBondContact O-CB 3.42Å; L706-C710 PolarHBondContact O-N 3.24Å; L706-C710 PolarHBondContact O-SG 3.33Å; L706-C710 VanDerWaalsContact O-SG 3.33Å; L706-M775 HydrophobicContact CD1-CG 3.69Å; L706-M775 HydrophobicContact CD1-SD 4.03Å; L706-F779 HydrophobicContact CB-CD2 4.46Å; L706-F779 HydrophobicContact CD2-CB 4.15Å; L706-F779 HydrophobicContact CD2-CD2 3.66Å; L706-F779 HydrophobicContact CD2-CG 4.4Å; L706-F779 HydrophobicContact CG-CD2 3.92Å
707	I	98.7	Very high	97	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.2	-51.7	173.6	-71.8	168.8	0	0	0	110.3	F530 L531 I536 T548 I703 K704 K709 C710 S711 F779	F530-I707 HydrophobicContact CB-CG1 4.25Å; F530-I707 HydrophobicContact CB-CG2 4Å; F530-I707 HydrophobicContact CD2-CG2 4.23Å; L531-I707 HydrophobicContact CD2-CD1 4.23Å; I536-I707 HydrophobicContact CD1-CD1 4.01Å; I536-I707 HydrophobicContact CD1-CG1 4.35Å; I536-I707 HydrophobicContact CG2-CD1 3.92Å; T548-I707 HydrophobicContact CG2-CG2 3.97Å; I703-I707 HydrophobicContact CG2-CD1 3.84Å; I703-I707 HydrophobicContact CG2-CG1 4.31Å; I703-I707 WeakPolarHBondContact O-CG1 3.49Å; I703-I707 PolarHBondContact O-N 2.6Å; K704-I707 PolarHBondContact O-N 2.91Å; I707-K709 VanDerWaalsContact C-N 3.32Å; I707-K709 PolarHBondContact O-N 2.97Å; I707-C710 PolarHBondContact O-N 3.46Å; I707-S711 WeakPolarHBondContact O-CB 3.5Å; I707-S711 PolarHBondContact O-N 3.26Å; I707-S711 PolarHBondContact O-OG 3.26Å; I707-F779 HydrophobicContact CG1-CE2 4.1Å; I707-F779 HydrophobicContact CG1-CZ 4.37Å
708	I	98.7	Very high	97.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.3	-40.3	-178.6	-167.5	66.5	0	0	0	110.9	V523 A552 M623 T627 K704 R705 S711 D712	V523-I708 HydrophobicContact CG1-CD1 3.99Å; A552-I708 HydrophobicContact CB-CD1 3.81Å; M623-I708 HydrophobicContact CB-CB 4.47Å; M623-I708 HydrophobicContact CB-CG2 4.07Å; M623-I708 HydrophobicContact CG-CG2 4.26Å; T627-I708 HydrophobicContact CG2-CG1 3.83Å; T627-I708 HydrophobicContact CG2-CG2 4.45Å; K704-I708 PolarHBondContact O-N 3.13Å; R705-I708 VanDerWaalsContact O-CG2 3.23Å; R705-I708 WeakPolarHBondContact O-CG2 3.38Å; I708-S711 WeakPolarHBondContact O-CB 3.27Å; I708-S711 PolarHBondContact O-N 2.89Å; I708-D712 VanDerWaalsContact O-CB 3.24Å; I708-D712 WeakPolarHBondContact O-CB 3.01Å; I708-D712 PolarHBondContact O-N 3.01Å
709	K	98	Very high	97.7	Very high	3 Å²	3	10.7 Å²	10.7	1%	0.013	5%	0.054	C	C	.	.	H	α-helix	trans	-65.6	-44.6	176.3	-70	-166.1	79.8	64.9	0	113.4	A626 T627 E628 H632 I635 R705 L706 I707 S711 D712 V713 M775	A626-K709 VanDerWaalsContact O-CD 3.26Å; A626-K709 WeakPolarHBondContact O-CD 3.48Å; A626-K709 WeakPolarHBondContact O-CG 3.49Å; A626-K709 PolarHBondContact O-NZ 3.49Å; T627-K709 PolarHBondContact O-NZ 2.83Å; E628-K709 PolarHBondContact O-NZ 3.04Å; H632-K709 WeakPolarHBondContact ND1-CE 3.37Å; I635-K709 HydrophobicContact CB-CD 4.44Å; I635-K709 HydrophobicContact CD1-CD 4.01Å; I635-K709 HydrophobicContact CG2-CD 4.2Å; R705-K709 VanDerWaalsContact O-CG 3.3Å; R705-K709 WeakPolarHBondContact O-CG 3.1Å; R705-K709 PolarHBondContact O-N 3.36Å; L706-K709 PolarHBondContact O-N 3.08Å; I707-K709 VanDerWaalsContact C-N 3.32Å; I707-K709 PolarHBondContact O-N 2.97Å; K709-S711 PolarHBondContact O-N 3.47Å; K709-D712 PolarHBondContact O-N 3.1Å; K709-V713 VanDerWaalsContact O-CG2 3.32Å; K709-V713 WeakPolarHBondContact O-CG2 3.42Å; K709-V713 PolarHBondContact O-N 3.03Å; K709-M775 HydrophobicContact CB-SD 3.92Å
710	C	98.6	Very high	98	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.6	-33	175.2	-73	0	0	0	0	111.7	F530 L706 I707 N714 F776	F530-C710 HydrophobicContact CE2-CB 3.79Å; F530-C710 HydrophobicContact CZ-CB 3.92Å; L706-C710 WeakPolarHBondContact O-CB 3.42Å; L706-C710 PolarHBondContact O-N 3.24Å; L706-C710 PolarHBondContact O-SG 3.33Å; L706-C710 VanDerWaalsContact O-SG 3.33Å; I707-C710 PolarHBondContact O-N 3.46Å; C710-N714 WeakPolarHBondContact O-CA 3.46Å; C710-N714 VanDerWaalsContact O-CB 3.3Å; C710-N714 WeakPolarHBondContact O-CB 3.44Å; C710-N714 PolarHBondContact O-N 2.92Å; C710-F776 HydrophobicContact CB-CE1 4.18Å; C710-F776 HydrophobicContact CB-CZ 4.06Å
711	S	98.8	Very high	98.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-73	-43.4	178.2	-55.9	0	0	0	0	111.9	S527 F530 I707 I708 K709 N714	S527-S711 WeakPolarHBondContact CA-OG 3.2Å; S527-S711 PolarHBondContact N-OG 3.38Å; S527-S711 WeakPolarHBondContact OG-CB 3.38Å; S527-S711 PolarHBondContact OG-OG 3.06Å; S527-S711 VanDerWaalsContact OG-OG 3.13Å; F530-S711 WeakPolarHBondContact CD2-OG 3.21Å; I707-S711 WeakPolarHBondContact O-CB 3.5Å; I707-S711 PolarHBondContact O-N 3.26Å; I707-S711 PolarHBondContact O-OG 3.26Å; I708-S711 WeakPolarHBondContact O-CB 3.27Å; I708-S711 PolarHBondContact O-N 2.89Å; K709-S711 PolarHBondContact O-N 3.47Å; S711-N714 VanDerWaalsContact O-CB 3.29Å; S711-N714 WeakPolarHBondContact O-CB 3.29Å; S711-N714 PolarHBondContact O-N 3.16Å; S711-N714 PolarHBondContact O-OD1 3.24Å
712	D	98.7	Very high	98.2	Very high	18 Å²	18	13.9 Å²	13.9	10%	0.096	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-45.4	-179.8	-176.8	24.7	0	0	0	112.2	H519 H555 I708 K709	H519-D712 IonicContact CE1-OD1 2.62Å; H519-D712 IonicContact NE2-OD1 3.27Å; H519-D712 PolarHBondContact NE2-OD1 2.99Å; H555-D712 IonicContact CD2-OD1 3.49Å; H555-D712 IonicContact NE2-OD1 3.44Å; H555-D712 PolarHBondContact NE2-OD1 3.49Å; I708-D712 VanDerWaalsContact O-CB 3.24Å; I708-D712 WeakPolarHBondContact O-CB 3.01Å; I708-D712 PolarHBondContact O-N 3.01Å; K709-D712 PolarHBondContact O-N 3.1Å
713	V	97.5	Very high	98.4	Very high	15 Å²	15	13.8 Å²	13.8	9%	0.091	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	33.6	177.9	-56.7	0	0	0	0	113.2	K709 N715 F767 L772 M775	K709-V713 VanDerWaalsContact O-CG2 3.32Å; K709-V713 WeakPolarHBondContact O-CG2 3.42Å; K709-V713 PolarHBondContact O-N 3.03Å; V713-N715 VanDerWaalsContact C-N 3.26Å; V713-N715 PolarHBondContact O-N 2.8Å; V713-F767 HydrophobicContact CB-CE1 4.17Å; V713-F767 HydrophobicContact CB-CZ 4.12Å; V713-F767 HydrophobicContact CG1-CE1 4.36Å; V713-F767 HydrophobicContact CG1-CZ 3.82Å; V713-L772 HydrophobicContact CB-CD1 4.26Å; V713-L772 HydrophobicContact CG2-CD1 3.94Å; V713-L772 HydrophobicContact CG2-CG 4.27Å; V713-M775 HydrophobicContact CG2-CE 3.43Å; V713-M775 VanDerWaalsContact CG2-CE 3.43Å
714	N	98.2	Very high	98.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.			trans	-69.5	-17	-176.3	70.4	-14.4	0	0	0	113.9	W457 D522 A526 C710 S711 P716 T717 R718	W457-N714 HydrophobicContact CH2-CB 4.2Å; W457-N714 HydrophobicContact CZ2-CB 4.1Å; D522-N714 PolarHBondContact OD2-ND2 3.26Å; D522-N714 PolarHBondContact OD2-OD1 2.91Å; A526-N714 HydrophobicContact CB-CB 4.42Å; C710-N714 WeakPolarHBondContact O-CA 3.46Å; C710-N714 VanDerWaalsContact O-CB 3.3Å; C710-N714 WeakPolarHBondContact O-CB 3.44Å; C710-N714 PolarHBondContact O-N 2.92Å; S711-N714 VanDerWaalsContact O-CB 3.29Å; S711-N714 WeakPolarHBondContact O-CB 3.29Å; S711-N714 PolarHBondContact O-N 3.16Å; S711-N714 PolarHBondContact O-OD1 3.24Å; N714-P716 VanDerWaalsContact O-N 3.17Å; N714-T717 WeakPolarHBondContact O-CA 3.19Å; N714-T717 WeakPolarHBondContact O-CB 3.24Å; N714-T717 PolarHBondContact O-N 3.28Å; N714-T717 PolarHBondContact O-OG1 3.05Å; N714-R718 PolarHBondContact ND2-NE 3.25Å; N714-R718 PolarHBondContact ND2-NH2 2.77Å; N714-R718 VanDerWaalsContact ND2-NH2 3.12Å; N714-R718 PolarHBondContact O-N 3.5Å
715	N	98.3	Very high	98.4	Very high	13 Å²	13	21.2 Å²	21.2	7%	0.07	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-57	-40.7	-162	-39.5	145.8	0	0	0	113.4	Y514 V713 T717 R718 C723 W726	Y514-N715 WeakPolarHBondContact CE2-OD1 3.14Å; Y514-N715 PolarHBondContact OH-OD1 3.16Å; V713-N715 VanDerWaalsContact C-N 3.26Å; V713-N715 PolarHBondContact O-N 2.8Å; N715-T717 PolarHBondContact O-N 3.37Å; N715-R718 WeakPolarHBondContact O-CB 3.37Å; N715-R718 PolarHBondContact O-N 2.98Å; N715-R718 VanDerWaalsContact O-N 3.12Å; N715-C723 WeakPolarHBondContact O-CB 3.3Å; N715-W726 HydrophobicContact CB-CB 3.62Å; N715-W726 HydrophobicContact CB-CG 3.91Å; N715-W726 WeakPolarHBondContact OD1-CB 3.43Å
716	P	98.5	Very high	98.4	Very high	2 Å²	2	19 Å²	19	1%	0.013	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-66.1	-12.9	175.8	-27	40.6	0	0	0	115.5	N714 I768 L772 L792 N795	N714-P716 VanDerWaalsContact O-N 3.17Å; P716-I768 HydrophobicContact CB-CD1 3.89Å; P716-I768 HydrophobicContact CB-CG1 3.74Å; P716-I768 HydrophobicContact CG-CD1 4.43Å; P716-I768 HydrophobicContact CG-CG1 4Å; P716-L772 HydrophobicContact CB-CD2 3.62Å; P716-L772 HydrophobicContact CG-CD2 3.43Å; P716-L772 VanDerWaalsContact CG-CD2 3.43Å; P716-L792 HydrophobicContact CB-CD1 3.88Å; P716-L792 WeakPolarHBondContact O-CA 3.34Å; P716-N795 PolarHBondContact O-ND2 2.83Å
717	T	98.6	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-99.8	-1.8	175.9	72.7	0	0	0	0	113	W457 N714 N715 F776 N791 L792	W457-T717 VanDerWaalsContact CZ2-OG1 3.3Å; W457-T717 WeakPolarHBondContact CZ2-OG1 3.46Å; W457-T717 PolarHBondContact NE1-O 2.91Å; N714-T717 WeakPolarHBondContact O-CA 3.19Å; N714-T717 WeakPolarHBondContact O-CB 3.24Å; N714-T717 PolarHBondContact O-N 3.28Å; N714-T717 PolarHBondContact O-OG1 3.05Å; N715-T717 PolarHBondContact O-N 3.37Å; T717-F776 HydrophobicContact CG2-CD1 3.95Å; T717-F776 HydrophobicContact CG2-CD2 4.25Å; T717-F776 HydrophobicContact CG2-CE1 3.61Å; T717-F776 HydrophobicContact CG2-CE2 3.92Å; T717-F776 HydrophobicContact CG2-CG 4.26Å; T717-F776 HydrophobicContact CG2-CZ 3.59Å; T717-N791 WeakPolarHBondContact O-CB 3.41Å; T717-N791 PolarHBondContact O-ND2 3.32Å; T717-L792 HydrophobicContact CG2-CB 4.17Å; T717-L792 HydrophobicContact CG2-CD1 4.22Å; T717-L792 HydrophobicContact CG2-CD2 4.47Å
718	R	98.6	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-78.7	163.4	172.1	-67.7	-68.8	-164.2	-172.9	-0	111.3	W457 D522 Q525 N714 N715 I722 N795	W457-R718 PolarHBondContact O-NH1 3.38Å; D522-R718 PolarHBondContact O-NH2 3.31Å; D522-R718 IonicContact OD1-CZ 3.26Å; D522-R718 VanDerWaalsContact OD1-CZ 3.3Å; D522-R718 IonicContact OD1-NE 2.75Å; D522-R718 PolarHBondContact OD1-NE 3.23Å; D522-R718 IonicContact OD1-NH2 2.94Å; D522-R718 PolarHBondContact OD1-NH2 3.36Å; D522-R718 IonicContact OD2-NE 2.64Å; D522-R718 IonicContact OD2-NH2 2.69Å; Q525-R718 VanDerWaalsContact OE1-CZ 3.22Å; N714-R718 PolarHBondContact ND2-NE 3.25Å; N714-R718 PolarHBondContact ND2-NH2 2.77Å; N714-R718 VanDerWaalsContact ND2-NH2 3.12Å; N714-R718 PolarHBondContact O-N 3.5Å; N715-R718 WeakPolarHBondContact O-CB 3.37Å; N715-R718 PolarHBondContact O-N 2.98Å; N715-R718 VanDerWaalsContact O-N 3.12Å; R718-I722 HydrophobicContact CB-CB 3.95Å; R718-I722 HydrophobicContact CB-CG2 3.69Å; R718-I722 HydrophobicContact CG-CG2 3.84Å; R718-N795 PolarHBondContact O-ND2 3.32Å
719	P	98.5	Very high	98.4	Very high	31 Å²	31	24.4 Å²	24.4	20%	0.201	13%	0.133	C	C	.	.			trans	-48.3	145.9	166.9	-28.1	34.9	0	0	0	112.4	D458 S721 I722 C723	D458-P719 HydrophobicContact CB-CG 3.93Å; P719-S721 VanDerWaalsContact C-N 3.25Å; P719-S721 PolarHBondContact O-N 2.94Å; P719-S721 VanDerWaalsContact O-N 3.09Å; P719-I722 HydrophobicContact CG-CD1 4.47Å; P719-I722 PolarHBondContact O-N 2.94Å; P719-C723 PolarHBondContact O-N 3Å
720	L	98.6	Very high	98.4	Very high	65 Å²	65	25.1 Å²	25.1	34%	0.34	14%	0.137	S	C	.	.	H	α-helix	trans	-53.5	-37.4	-169.9	178.5	62	0	0	0	114.1	C723 K724 N795 Y798	L720-C723 PolarHBondContact O-N 3.3Å; L720-K724 HydrophobicContact CD1-CD 4.06Å; L720-K724 HydrophobicContact CD1-CG 3.98Å; L720-K724 HydrophobicContact CG-CD 4.06Å; L720-K724 HydrophobicContact CG-CG 4.39Å; L720-K724 WeakPolarHBondContact O-CB 3.15Å; L720-K724 VanDerWaalsContact O-CG 3.25Å; L720-K724 WeakPolarHBondContact O-CG 3.39Å; L720-K724 PolarHBondContact O-N 3.44Å; L720-N795 WeakPolarHBondContact CA-OD1 3.18Å; L720-N795 WeakPolarHBondContact CB-OD1 3.17Å; L720-N795 WeakPolarHBondContact CD1-OD1 3.39Å; L720-Y798 HydrophobicContact CD1-CD1 3.57Å; L720-Y798 HydrophobicContact CD1-CD2 4.08Å; L720-Y798 HydrophobicContact CD1-CE1 4.02Å; L720-Y798 HydrophobicContact CD1-CE2 4.49Å; L720-Y798 HydrophobicContact CD1-CG 3.59Å; L720-Y798 HydrophobicContact CD2-CD2 3.71Å; L720-Y798 HydrophobicContact CD2-CE2 4.04Å; L720-Y798 HydrophobicContact CD2-CG 4.06Å; L720-Y798 HydrophobicContact CG-CG 4.48Å
721	S	98.3	Very high	98.4	Very high	86 Å²	86	25.2 Å²	25.2	60%	0.601	14%	0.137	S	C	*	.	H	α-helix	trans	-60.9	-45.2	177.5	48.1	0	0	0	0	112.3	P719 E725	P719-S721 VanDerWaalsContact C-N 3.25Å; P719-S721 PolarHBondContact O-N 2.94Å; P719-S721 VanDerWaalsContact O-N 3.09Å; S721-E725 PolarHBondContact O-N 2.69Å
722	I	98.6	Very high	98.3	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-69.9	-44.2	179.1	-63.1	175	0	0	0	110	N460 F462 R718 P719 K724 E725 W726	N460-I722 HydrophobicContact CB-CD1 4.16Å; F462-I722 HydrophobicContact CD2-CG1 4.43Å; F462-I722 HydrophobicContact CE2-CB 4.27Å; F462-I722 HydrophobicContact CE2-CG1 4.42Å; F462-I722 HydrophobicContact CE2-CG2 3.83Å; R718-I722 HydrophobicContact CB-CB 3.95Å; R718-I722 HydrophobicContact CB-CG2 3.69Å; R718-I722 HydrophobicContact CG-CG2 3.84Å; P719-I722 HydrophobicContact CG-CD1 4.47Å; P719-I722 PolarHBondContact O-N 2.94Å; I722-K724 VanDerWaalsContact C-N 3.31Å; I722-K724 PolarHBondContact O-N 3.35Å; I722-E725 PolarHBondContact O-N 3.01Å; I722-W726 PolarHBondContact O-N 3.24Å
723	C	98.7	Very high	98.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-55.4	-45.2	175.9	174.6	0	0	0	0	111.9	N715 P719 L720 A727	N715-C723 WeakPolarHBondContact O-CB 3.3Å; P719-C723 PolarHBondContact O-N 3Å; L720-C723 PolarHBondContact O-N 3.3Å; C723-A727 VanDerWaalsContact O-CB 3.31Å; C723-A727 WeakPolarHBondContact O-CB 3.49Å; C723-A727 PolarHBondContact O-N 3.38Å
724	K	98.3	Very high	98.3	Very high	84 Å²	84	27.8 Å²	27.8	37%	0.365	15%	0.147	S	C	.	.	H	α-helix	trans	-67.1	-40.2	179.1	-74.5	176.1	66.9	-177	0	113.6	L720 I722 A727 T728 Y798 W799	L720-K724 HydrophobicContact CD1-CD 4.06Å; L720-K724 HydrophobicContact CD1-CG 3.98Å; L720-K724 HydrophobicContact CG-CD 4.06Å; L720-K724 HydrophobicContact CG-CG 4.39Å; L720-K724 WeakPolarHBondContact O-CB 3.15Å; L720-K724 VanDerWaalsContact O-CG 3.25Å; L720-K724 WeakPolarHBondContact O-CG 3.39Å; L720-K724 PolarHBondContact O-N 3.44Å; I722-K724 VanDerWaalsContact C-N 3.31Å; I722-K724 PolarHBondContact O-N 3.35Å; K724-A727 PolarHBondContact O-N 3.24Å; K724-T728 WeakPolarHBondContact O-CB 3.29Å; K724-T728 PolarHBondContact O-N 3.29Å; K724-T728 PolarHBondContact O-OG1 3.02Å; K724-Y798 HydrophobicContact CD-CE1 3.86Å; K724-Y798 WeakPolarHBondContact CE-OH 3.32Å; K724-Y798 HydrophobicContact CG-CE1 4Å; K724-Y798 PolarHBondContact NZ-OH 3.19Å; K724-Y798 VanDerWaalsContact NZ-OH 3.13Å; K724-W799 HydrophobicContact CB-CH2 4.43Å; K724-W799 HydrophobicContact CG-CH2 3.83Å; K724-W799 HydrophobicContact CG-CZ2 4.1Å
725	E	98.6	Very high	98.3	Very high	76 Å²	76	28.5 Å²	28.5	36%	0.355	15%	0.15	S	C	.	.	H	α-helix	trans	-62.4	-49.2	177.2	178.5	63.2	-164	0	0	110	F462 S721 I722 A727 T728 R729	F462-E725 HydrophobicContact CD1-CG 4.15Å; F462-E725 HydrophobicContact CD2-CB 4.28Å; F462-E725 HydrophobicContact CD2-CG 3.94Å; F462-E725 HydrophobicContact CE1-CG 3.69Å; F462-E725 HydrophobicContact CE2-CB 3.59Å; F462-E725 HydrophobicContact CE2-CG 3.44Å; F462-E725 VanDerWaalsContact CE2-CG 3.44Å; F462-E725 HydrophobicContact CG-CG 4.26Å; F462-E725 HydrophobicContact CZ-CB 3.81Å; F462-E725 HydrophobicContact CZ-CG 3.29Å; S721-E725 PolarHBondContact O-N 2.69Å; I722-E725 PolarHBondContact O-N 3.01Å; E725-A727 PolarHBondContact O-N 3.39Å; E725-T728 WeakPolarHBondContact O-CB 3.47Å; E725-T728 PolarHBondContact O-N 3.34Å; E725-T728 VanDerWaalsContact O-N 3.13Å; E725-R729 WeakPolarHBondContact O-CG 3.36Å; E725-R729 PolarHBondContact O-N 3.08Å; E725-R729 IonicContact OE1-CZ 2.73Å; E725-R729 IonicContact OE1-NE 2.76Å; E725-R729 PolarHBondContact OE1-NE 2.94Å; E725-R729 IonicContact OE1-NH2 3.89Å; E725-R729 PolarHBondContact OE1-NH2 3.34Å; E725-R729 VanDerWaalsContact OE1-NH2 3.1Å
726	W	98.7	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-42.1	175.8	-78.6	132.6	0	0	0	113.2	I461 F462 Y514 T518 H519 D522 N715 I722 T728 R729 I730	I461-W726 HydrophobicContact CG2-CZ2 3.99Å; F462-W726 HydrophobicContact CE1-CD2 4.2Å; F462-W726 AromaticContact CE1-CE2 3.84Å; F462-W726 HydrophobicContact CE1-CE3 4.44Å; F462-W726 AromaticContact CE1-CH2 3.93Å; F462-W726 HydrophobicContact CE1-CH2 3.93Å; F462-W726 AromaticContact CE1-CZ2 3.69Å; F462-W726 HydrophobicContact CE1-CZ2 3.69Å; F462-W726 HydrophobicContact CE1-CZ3 4.32Å; F462-W726 AromaticContact CZ-CD1 3.87Å; F462-W726 AromaticContact CZ-CD2 3.62Å; F462-W726 HydrophobicContact CZ-CD2 3.62Å; F462-W726 AromaticContact CZ-CE2 3.36Å; F462-W726 HydrophobicContact CZ-CE3 4.22Å; F462-W726 AromaticContact CZ-CG 3.92Å; F462-W726 HydrophobicContact CZ-CG 3.92Å; F462-W726 HydrophobicContact CZ-CH2 4.29Å; F462-W726 AromaticContact CZ-CZ2 3.73Å; F462-W726 HydrophobicContact CZ-CZ2 3.73Å; F462-W726 AromaticContact CZ-NE1 3.58Å; Y514-W726 AromaticContact CD2-CE3 3.56Å; Y514-W726 HydrophobicContact CD2-CE3 3.56Å; Y514-W726 HydrophobicContact CD2-CZ3 4.01Å; Y514-W726 HydrophobicContact CE2-CB 4.38Å; Y514-W726 HydrophobicContact CE2-CD2 4.2Å; Y514-W726 AromaticContact CE2-CE3 3.56Å; Y514-W726 HydrophobicContact CE2-CE3 3.56Å; Y514-W726 HydrophobicContact CE2-CZ3 4.24Å; Y514-W726 HydrophobicContact CG-CE3 4.49Å; T518-W726 HydrophobicContact CG2-CH2 4Å; T518-W726 HydrophobicContact CG2-CZ2 4.24Å; H519-W726 HydrophobicContact CB-CH2 3.81Å; H519-W726 HydrophobicContact CB-CZ3 4.12Å; D522-W726 HydrophobicContact CB-CZ2 3.98Å; D522-W726 PolarHBondContact OD2-NE1 3.24Å; N715-W726 HydrophobicContact CB-CB 3.62Å; N715-W726 HydrophobicContact CB-CG 3.91Å; N715-W726 WeakPolarHBondContact OD1-CB 3.43Å; I722-W726 PolarHBondContact O-N 3.24Å; W726-T728 PolarHBondContact O-N 3.42Å; W726-R729 HydrophobicContact CE3-CB 4.22Å; W726-R729 PolarHBondContact O-N 2.98Å; W726-I730 WeakPolarHBondContact O-CG2 3.43Å; W726-I730 PolarHBondContact O-N 3.08Å
727	A	98.4	Very high	98.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-37.1	174.6	0	0	0	0	0	112.3	C723 K724 E725 I730 A731 I760 Q764 W799	C723-A727 VanDerWaalsContact O-CB 3.31Å; C723-A727 WeakPolarHBondContact O-CB 3.49Å; C723-A727 PolarHBondContact O-N 3.38Å; K724-A727 PolarHBondContact O-N 3.24Å; E725-A727 PolarHBondContact O-N 3.39Å; A727-I730 WeakPolarHBondContact O-CG2 3.44Å; A727-A731 VanDerWaalsContact O-CB 3.27Å; A727-A731 WeakPolarHBondContact O-CB 3.41Å; A727-A731 PolarHBondContact O-N 3.29Å; A727-I760 HydrophobicContact CB-CG2 4.36Å; A727-Q764 HydrophobicContact CB-CG 3.87Å; A727-W799 HydrophobicContact CB-CH2 3.78Å; A727-W799 HydrophobicContact CB-CZ2 3.77Å
728	T	98	Very high	98.2	Very high	77 Å²	77	30.4 Å²	30.4	47%	0.472	16%	0.163	S	C	.	.	H	α-helix	trans	-70.6	-43.5	176.3	-54.8	0	0	0	0	111	K724 E725 W726 A731 E732	K724-T728 WeakPolarHBondContact O-CB 3.29Å; K724-T728 PolarHBondContact O-N 3.29Å; K724-T728 PolarHBondContact O-OG1 3.02Å; E725-T728 WeakPolarHBondContact O-CB 3.47Å; E725-T728 PolarHBondContact O-N 3.34Å; E725-T728 VanDerWaalsContact O-N 3.13Å; W726-T728 PolarHBondContact O-N 3.42Å; T728-A731 PolarHBondContact O-N 3.42Å; T728-E732 WeakPolarHBondContact O-CB 3.38Å; T728-E732 PolarHBondContact O-N 3.17Å
729	R	98.6	Very high	98.1	Very high	36 Å²	36	34 Å²	34	14%	0.136	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-46.5	178.8	-74.1	-179.6	-176.3	-147.7	5.1	112.8	E465 P513 Y514 E725 W726 E732 E733	E465-R729 IonicContact OE1-CZ 3.28Å; E465-R729 IonicContact OE1-NH1 3.09Å; E465-R729 PolarHBondContact OE1-NH1 2.76Å; E465-R729 IonicContact OE1-NH2 3.52Å; E465-R729 IonicContact OE2-CZ 2.7Å; E465-R729 IonicContact OE2-NH1 2.61Å; E465-R729 PolarHBondContact OE2-NH1 3.46Å; E465-R729 IonicContact OE2-NH2 3.36Å; E465-R729 PolarHBondContact OE2-NH2 2.71Å; P513-R729 WeakPolarHBondContact CB-O 3.25Å; P513-R729 WeakPolarHBondContact O-CB 3.24Å; P513-R729 VanDerWaalsContact O-CD 3.32Å; P513-R729 WeakPolarHBondContact O-CD 2.91Å; P513-R729 WeakPolarHBondContact O-CG 3.13Å; Y514-R729 HydrophobicContact CD2-CB 4.14Å; E725-R729 WeakPolarHBondContact O-CG 3.36Å; E725-R729 PolarHBondContact O-N 3.08Å; E725-R729 IonicContact OE1-CZ 2.73Å; E725-R729 IonicContact OE1-NE 2.76Å; E725-R729 PolarHBondContact OE1-NE 2.94Å; E725-R729 IonicContact OE1-NH2 3.89Å; E725-R729 PolarHBondContact OE1-NH2 3.34Å; E725-R729 VanDerWaalsContact OE1-NH2 3.1Å; W726-R729 HydrophobicContact CE3-CB 4.22Å; W726-R729 PolarHBondContact O-N 2.98Å; R729-E732 WeakPolarHBondContact O-CB 3.47Å; R729-E732 PolarHBondContact O-N 3.43Å; R729-E733 PolarHBondContact O-N 2.86Å; R729-E733 VanDerWaalsContact O-N 3.09Å
730	I	98.2	Very high	98.1	Very high	19 Å²	19	34.4 Å²	34.4	10%	0.097	18%	0.18	C	C	.	.	H	α-helix	trans	-67.8	-38.9	179.3	-168.1	61.6	0	0	0	111.7	Y514 W726 A727 E732 E733 Y734	Y514-I730 HydrophobicContact CD1-CD1 3.73Å; Y514-I730 HydrophobicContact CD2-CB 3.53Å; Y514-I730 HydrophobicContact CD2-CD1 4.01Å; Y514-I730 HydrophobicContact CD2-CG1 4.27Å; Y514-I730 HydrophobicContact CE1-CD1 4.14Å; Y514-I730 HydrophobicContact CE2-CB 3.86Å; Y514-I730 HydrophobicContact CE2-CD1 4.39Å; Y514-I730 HydrophobicContact CE2-CG1 4.47Å; Y514-I730 HydrophobicContact CG-CB 4.03Å; Y514-I730 HydrophobicContact CG-CD1 3.64Å; Y514-I730 HydrophobicContact CG-CG1 4.39Å; W726-I730 WeakPolarHBondContact O-CG2 3.43Å; W726-I730 PolarHBondContact O-N 3.08Å; A727-I730 WeakPolarHBondContact O-CG2 3.44Å; I730-E732 PolarHBondContact O-N 3.37Å; I730-E733 PolarHBondContact O-N 3.12Å; I730-Y734 HydrophobicContact CD1-CE1 3.94Å; I730-Y734 HydrophobicContact CD1-CE2 4.05Å; I730-Y734 HydrophobicContact CG1-CD2 4.14Å; I730-Y734 HydrophobicContact CG1-CE1 4.39Å; I730-Y734 HydrophobicContact CG1-CE2 3.6Å; I730-Y734 PolarHBondContact O-N 2.88Å
731	A	97.4	Very high	98	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-44.4	174.9	0	0	0	0	0	111.2	A727 T728 E733 Y734 F735 I760	A727-A731 VanDerWaalsContact O-CB 3.27Å; A727-A731 WeakPolarHBondContact O-CB 3.41Å; A727-A731 PolarHBondContact O-N 3.29Å; T728-A731 PolarHBondContact O-N 3.42Å; A731-E733 VanDerWaalsContact C-N 3.31Å; A731-E733 PolarHBondContact O-N 3.28Å; A731-Y734 PolarHBondContact O-N 3.29Å; A731-F735 HydrophobicContact CB-CE1 4.38Å; A731-F735 HydrophobicContact CB-CE2 4.01Å; A731-F735 HydrophobicContact CB-CZ 3.83Å; A731-F735 WeakPolarHBondContact O-CB 3.47Å; A731-F735 WeakPolarHBondContact O-CD1 3.5Å; A731-F735 VanDerWaalsContact O-CD2 3.27Å; A731-F735 WeakPolarHBondContact O-CD2 3.42Å; A731-F735 WeakPolarHBondContact O-CG 3.43Å; A731-F735 PolarHBondContact O-N 3.19Å; A731-I760 HydrophobicContact CB-CD1 3.94Å; A731-I760 HydrophobicContact CB-CG1 4.07Å
732	E	98.1	Very high	98	Very high	62 Å²	62	30.6 Å²	30.6	29%	0.29	15%	0.15	S	C	.	.	H	α-helix	trans	-57.8	-42.5	176.4	180	59	-155.5	0	0	112.5	P513 T728 R729 I730 F735 C736 R755	P513-E732 HydrophobicContact CB-CB 4Å; P513-E732 HydrophobicContact CB-CG 3.86Å; P513-E732 HydrophobicContact CG-CB 4.28Å; P513-E732 HydrophobicContact CG-CG 3.71Å; T728-E732 WeakPolarHBondContact O-CB 3.38Å; T728-E732 PolarHBondContact O-N 3.17Å; R729-E732 WeakPolarHBondContact O-CB 3.47Å; R729-E732 PolarHBondContact O-N 3.43Å; I730-E732 PolarHBondContact O-N 3.37Å; E732-F735 PolarHBondContact O-N 3.2Å; E732-C736 PolarHBondContact O-N 3.43Å; E732-C736 PolarHBondContact O-SG 3.38Å; E732-R755 IonicContact OE1-CZ 3.71Å; E732-R755 IonicContact OE1-NH1 3.44Å; E732-R755 PolarHBondContact OE1-NH1 2.66Å; E732-R755 IonicContact OE1-NH2 3.9Å; E732-R755 PolarHBondContact OE1-NH2 3.44Å; E732-R755 IonicContact OE2-CZ 3.68Å; E732-R755 VanDerWaalsContact OE2-CZ 3.28Å; E732-R755 IonicContact OE2-NH1 2.74Å; E732-R755 PolarHBondContact OE2-NH1 2.94Å; E732-R755 IonicContact OE2-NH2 2.9Å; E732-R755 PolarHBondContact OE2-NH2 3.36Å; E732-R755 VanDerWaalsContact OE2-NH2 3.09Å
733	E	98.3	Very high	97.9	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-44.5	178.6	-163.1	172.7	114.8	0	0	112	P513 Y514 H515 H559 G561 R729 I730 A731 F735 C736 Q737	P513-E733 HydrophobicContact CB-CB 4.18Å; P513-E733 HydrophobicContact CG-CB 4.12Å; P513-E733 HydrophobicContact CG-CG 4.49Å; Y514-E733 WeakPolarHBondContact CB-OE2 3.28Å; Y514-E733 PolarHBondContact N-OE2 2.76Å; H515-E733 IonicContact CE1-OE1 2.76Å; H515-E733 PolarHBondContact CE1-OE1 3.07Å; H515-E733 IonicContact CG-OE1 3.34Å; H515-E733 PolarHBondContact N-OE2 3.34Å; H515-E733 VanDerWaalsContact N-OE2 3.08Å; H515-E733 IonicContact ND1-OE1 3.49Å; H515-E733 PolarHBondContact ND1-OE1 3.45Å; H515-E733 IonicContact ND1-OE2 3.94Å; H559-E733 IonicContact CE1-OE1 3.56Å; G561-E733 VanDerWaalsContact CA-OE1 3.24Å; G561-E733 WeakPolarHBondContact CA-OE1 3.35Å; R729-E733 PolarHBondContact O-N 2.86Å; R729-E733 VanDerWaalsContact O-N 3.09Å; I730-E733 PolarHBondContact O-N 3.12Å; A731-E733 VanDerWaalsContact C-N 3.31Å; A731-E733 PolarHBondContact O-N 3.28Å; E733-F735 VanDerWaalsContact C-N 3.33Å; E733-F735 PolarHBondContact O-N 3.49Å; E733-C736 WeakPolarHBondContact O-CB 3.4Å; E733-C736 PolarHBondContact O-N 3.36Å; E733-Q737 PolarHBondContact O-N 3.28Å
734	Y	97.5	Very high	97.8	Very high	22 Å²	22	44.2 Å²	44.2	9%	0.086	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-36.3	173.8	-66.1	-23.4	0	0	0	112.5	L405 T563 I730 A731 C736 Q737 T738 M750 F753	L405-Y734 WeakPolarHBondContact CD2-OH 3.48Å; T563-Y734 HydrophobicContact CG2-CD1 4.42Å; T563-Y734 HydrophobicContact CG2-CE1 3.85Å; I730-Y734 HydrophobicContact CD1-CE1 3.94Å; I730-Y734 HydrophobicContact CD1-CE2 4.05Å; I730-Y734 HydrophobicContact CG1-CD2 4.14Å; I730-Y734 HydrophobicContact CG1-CE1 4.39Å; I730-Y734 HydrophobicContact CG1-CE2 3.6Å; I730-Y734 PolarHBondContact O-N 2.88Å; A731-Y734 PolarHBondContact O-N 3.29Å; Y734-C736 VanDerWaalsContact C-N 3.35Å; Y734-C736 PolarHBondContact O-N 3.18Å; Y734-Q737 WeakPolarHBondContact O-CB 3.49Å; Y734-Q737 PolarHBondContact O-N 3.02Å; Y734-T738 PolarHBondContact O-N 3.18Å; Y734-T738 PolarHBondContact O-OG1 3.48Å; Y734-T738 VanDerWaalsContact O-OG1 3.12Å; Y734-M750 HydrophobicContact CD1-SD 4.4Å; Y734-M750 HydrophobicContact CD2-CE 3.66Å; Y734-M750 HydrophobicContact CD2-SD 4.44Å; Y734-M750 HydrophobicContact CE1-SD 4.43Å; Y734-M750 HydrophobicContact CE2-CE 3.66Å; Y734-M750 HydrophobicContact CE2-SD 4.46Å; Y734-M750 HydrophobicContact CG-CE 4.16Å; Y734-M750 HydrophobicContact CG-SD 4.41Å; Y734-F753 AromaticContact CD2-CD1 3.6Å; Y734-F753 HydrophobicContact CD2-CD1 3.6Å; Y734-F753 AromaticContact CD2-CE1 3.7Å; Y734-F753 HydrophobicContact CD2-CE1 3.7Å; Y734-F753 HydrophobicContact CD2-CG 4.22Å; Y734-F753 HydrophobicContact CD2-CZ 4.38Å; Y734-F753 HydrophobicContact CE2-CE1 4.29Å; Y734-F753 HydrophobicContact CG-CD1 4.26Å
735	F	97.9	Very high	97.6	Very high	14 Å²	14	47.4 Å²	47.4	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-44.7	172.5	-60.4	-20	0	0	0	111.3	A731 E732 E733 Q737 T738 E739 F753 R755 C758 I760	A731-F735 HydrophobicContact CB-CE1 4.38Å; A731-F735 HydrophobicContact CB-CE2 4.01Å; A731-F735 HydrophobicContact CB-CZ 3.83Å; A731-F735 WeakPolarHBondContact O-CB 3.47Å; A731-F735 WeakPolarHBondContact O-CD1 3.5Å; A731-F735 VanDerWaalsContact O-CD2 3.27Å; A731-F735 WeakPolarHBondContact O-CD2 3.42Å; A731-F735 WeakPolarHBondContact O-CG 3.43Å; A731-F735 PolarHBondContact O-N 3.19Å; E732-F735 PolarHBondContact O-N 3.2Å; E733-F735 VanDerWaalsContact C-N 3.33Å; E733-F735 PolarHBondContact O-N 3.49Å; F735-Q737 VanDerWaalsContact C-N 3.26Å; F735-Q737 PolarHBondContact O-N 3.1Å; F735-T738 PolarHBondContact O-N 3.47Å; F735-E739 WeakPolarHBondContact O-CG 3.36Å; F735-E739 PolarHBondContact O-N 2.74Å; F735-F753 HydrophobicContact CD1-CB 4.43Å; F735-F753 WeakPolarHBondContact CD1-O 3.27Å; F735-F753 HydrophobicContact CE1-CB 4.44Å; F735-R755 HydrophobicContact CB-CB 4.21Å; F735-R755 HydrophobicContact CD2-CB 3.99Å; F735-R755 HydrophobicContact CD2-CG 4.12Å; F735-R755 HydrophobicContact CG-CB 3.99Å; F735-C758 HydrophobicContact CE1-CB 3.38Å; F735-C758 HydrophobicContact CZ-CB 3.6Å; F735-I760 HydrophobicContact CZ-CG1 4.47Å
736	C	98	Very high	97.4	Very high	50 Å²	50	45.2 Å²	45.2	34%	0.338	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-35	176.2	-68.4	0	0	0	0	112.3	K562 E732 E733 Y734 E740	K562-C736 PolarHBondContact NZ-O 2.85Å; E732-C736 PolarHBondContact O-N 3.43Å; E732-C736 PolarHBondContact O-SG 3.38Å; E733-C736 WeakPolarHBondContact O-CB 3.4Å; E733-C736 PolarHBondContact O-N 3.36Å; Y734-C736 VanDerWaalsContact C-N 3.35Å; Y734-C736 PolarHBondContact O-N 3.18Å; C736-E740 WeakPolarHBondContact O-CB 3.36Å; C736-E740 PolarHBondContact O-N 2.97Å
737	Q	97.6	Very high	97	Very high	4 Å²	4	49 Å²	49	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-54.4	171.7	-179.1	174.9	-48.9	0	0	112.1	K562 T563 F566 E733 Y734 F735 E739 E740 E741	K562-Q737 HydrophobicContact CD-CB 4.03Å; K562-Q737 HydrophobicContact CD-CG 4.04Å; T563-Q737 PolarHBondContact OG1-NE2 3.24Å; T563-Q737 PolarHBondContact OG1-OE1 2.81Å; F566-Q737 HydrophobicContact CB-CG 4.24Å; F566-Q737 HydrophobicContact CD2-CG 3.68Å; F566-Q737 HydrophobicContact CE2-CG 4.35Å; F566-Q737 HydrophobicContact CG-CG 4.14Å; E733-Q737 PolarHBondContact O-N 3.28Å; Y734-Q737 WeakPolarHBondContact O-CB 3.49Å; Y734-Q737 PolarHBondContact O-N 3.02Å; F735-Q737 VanDerWaalsContact C-N 3.26Å; F735-Q737 PolarHBondContact O-N 3.1Å; Q737-E739 VanDerWaalsContact C-N 3.3Å; Q737-E739 PolarHBondContact O-N 3.32Å; Q737-E740 CarbonylContact O-C 3.6Å; Q737-E740 WeakPolarHBondContact O-CA 3.47Å; Q737-E740 WeakPolarHBondContact O-CB 3.45Å; Q737-E740 PolarHBondContact O-N 3.04Å; Q737-E741 HydrophobicContact CG-CG 4.28Å; Q737-E741 WeakPolarHBondContact CG-OE1 3.44Å; Q737-E741 PolarHBondContact NE2-OE1 3.48Å; Q737-E741 WeakPolarHBondContact O-CG 3.36Å; Q737-E741 PolarHBondContact O-N 3.19Å
738	T	96.9	Very high	96.7	Very high	1 Å²	1	52 Å²	52	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-56.6	-42.5	-178.5	-62.3	0	0	0	0	112.1	Y734 F735 E740 E741 K742 I748 F753	Y734-T738 PolarHBondContact O-N 3.18Å; Y734-T738 PolarHBondContact O-OG1 3.48Å; Y734-T738 VanDerWaalsContact O-OG1 3.12Å; F735-T738 PolarHBondContact O-N 3.47Å; T738-E740 VanDerWaalsContact C-N 3.32Å; T738-E740 PolarHBondContact O-N 3.09Å; T738-E741 PolarHBondContact O-N 2.92Å; T738-K742 WeakPolarHBondContact O-CG 3.47Å; T738-K742 PolarHBondContact O-N 2.84Å; T738-I748 HydrophobicContact CG2-CG2 4.17Å; T738-F753 VanDerWaalsContact CB-O 3.24Å; T738-F753 WeakPolarHBondContact CB-O 3.33Å; T738-F753 PolarHBondContact OG1-O 2.79Å
739	E	97.6	Very high	96.1	Very high	75 Å²	75	48.7 Å²	48.7	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-36.5	176.5	-69.3	-50.5	126.4	0	0	112.4	F735 Q737 K742 R743	F735-E739 WeakPolarHBondContact O-CG 3.36Å; F735-E739 PolarHBondContact O-N 2.74Å; Q737-E739 VanDerWaalsContact C-N 3.3Å; Q737-E739 PolarHBondContact O-N 3.32Å; E739-K742 IonicContact OE1-NZ 3.5Å; E739-K742 PolarHBondContact OE1-NZ 3.43Å; E739-R743 WeakPolarHBondContact O-CB 3.27Å; E739-R743 PolarHBondContact O-N 2.94Å
740	E	97.7	Very high	95.6	Very high	41 Å²	41	47 Å²	47	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-69.7	-41.2	174.7	-176	174.7	176.1	0	0	112.3	K562 F566 C736 Q737 T738 K742 R743 R744	K562-E740 WeakPolarHBondContact CE-OE2 3.44Å; K562-E740 IonicContact NZ-OE2 2.77Å; K562-E740 PolarHBondContact NZ-OE2 3.5Å; F566-E740 HydrophobicContact CE2-CB 4.39Å; F566-E740 HydrophobicContact CE2-CG 4.13Å; F566-E740 HydrophobicContact CZ-CG 4.07Å; C736-E740 WeakPolarHBondContact O-CB 3.36Å; C736-E740 PolarHBondContact O-N 2.97Å; Q737-E740 CarbonylContact O-C 3.6Å; Q737-E740 WeakPolarHBondContact O-CA 3.47Å; Q737-E740 WeakPolarHBondContact O-CB 3.45Å; Q737-E740 PolarHBondContact O-N 3.04Å; T738-E740 VanDerWaalsContact C-N 3.32Å; T738-E740 PolarHBondContact O-N 3.09Å; E740-K742 VanDerWaalsContact C-N 3.34Å; E740-K742 PolarHBondContact O-N 2.69Å; E740-R743 PolarHBondContact O-N 2.64Å; E740-R744 HydrophobicContact CG-CG 4.17Å; E740-R744 WeakPolarHBondContact O-CB 3.31Å; E740-R744 WeakPolarHBondContact O-CG 3.33Å; E740-R744 PolarHBondContact O-N 3.02Å; E740-R744 VanDerWaalsContact OE1-CD 3.29Å; E740-R744 WeakPolarHBondContact OE1-CD 3.47Å; E740-R744 IonicContact OE1-CZ 2.6Å; E740-R744 IonicContact OE1-NH1 3.63Å; E740-R744 PolarHBondContact OE1-NH1 2.75Å
741	E	97.6	Very high	95.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-57.1	-48	175.3	-71.7	171.7	170.5	0	0	110.6	F566 Q737 T738 R744 N745 L746 I748 V749	F566-E741 HydrophobicContact CD2-CG 3.55Å; F566-E741 HydrophobicContact CE2-CG 3.83Å; Q737-E741 HydrophobicContact CG-CG 4.28Å; Q737-E741 WeakPolarHBondContact CG-OE1 3.44Å; Q737-E741 PolarHBondContact NE2-OE1 3.48Å; Q737-E741 WeakPolarHBondContact O-CG 3.36Å; Q737-E741 PolarHBondContact O-N 3.19Å; T738-E741 PolarHBondContact O-N 2.92Å; E741-R744 PolarHBondContact O-N 3.45Å; E741-N745 PolarHBondContact O-N 3.36Å; E741-L746 HydrophobicContact CB-CB 4.31Å; E741-L746 HydrophobicContact CG-CB 4.41Å; E741-L746 PolarHBondContact O-N 3.32Å; E741-I748 HydrophobicContact CB-CG1 4.3Å; E741-I748 VanDerWaalsContact OE2-CA 3.27Å; E741-I748 WeakPolarHBondContact OE2-CA 3.42Å; E741-V749 VanDerWaalsContact OE1-CG2 3.3Å; E741-V749 WeakPolarHBondContact OE1-CG2 3.37Å; E741-V749 PolarHBondContact OE2-N 3.17Å
742	K	96.3	Very high	94.8	Very high	70 Å²	70	51.6 Å²	51.6	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-58.2	-51.1	173.4	-70.1	171.6	-173.6	167.6	0	112.1	T738 E739 E740 R744 N745 I748 D754	T738-K742 WeakPolarHBondContact O-CG 3.47Å; T738-K742 PolarHBondContact O-N 2.84Å; E739-K742 IonicContact OE1-NZ 3.5Å; E739-K742 PolarHBondContact OE1-NZ 3.43Å; E740-K742 VanDerWaalsContact C-N 3.34Å; E740-K742 PolarHBondContact O-N 2.69Å; K742-R744 PolarHBondContact O-N 3.13Å; K742-N745 PolarHBondContact O-N 3.23Å; K742-N745 VanDerWaalsContact O-N 3.12Å; K742-I748 HydrophobicContact CG-CD1 3.79Å; K742-I748 HydrophobicContact CG-CG1 4.46Å; K742-D754 IonicContact NZ-OD1 3.31Å; K742-D754 IonicContact NZ-OD2 3.3Å; K742-D754 PolarHBondContact NZ-OD2 3.39Å
743	R	97.8	Very high	94.6	Very high	186 Å²	186	48.9 Å²	48.9	70%	0.702	24%	0.24	S	C	*	.	H	α-helix	trans	-59.7	-35.7	-178.4	-175.4	-177.7	67.2	130.8	-1.3	112.2	E739 E740	E739-R743 WeakPolarHBondContact O-CB 3.27Å; E739-R743 PolarHBondContact O-N 2.94Å; E740-R743 PolarHBondContact O-N 2.64Å
744	R	96.2	Very high	94.3	Very high	105 Å²	105	49.7 Å²	49.7	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-91.7	-0.8	-178.7	-66.7	175.4	67.5	176.9	-4.4	113.3	E740 E741 K742 L746	E740-R744 HydrophobicContact CG-CG 4.17Å; E740-R744 WeakPolarHBondContact O-CB 3.31Å; E740-R744 WeakPolarHBondContact O-CG 3.33Å; E740-R744 PolarHBondContact O-N 3.02Å; E740-R744 VanDerWaalsContact OE1-CD 3.29Å; E740-R744 WeakPolarHBondContact OE1-CD 3.47Å; E740-R744 IonicContact OE1-CZ 2.6Å; E740-R744 IonicContact OE1-NH1 3.63Å; E740-R744 PolarHBondContact OE1-NH1 2.75Å; E741-R744 PolarHBondContact O-N 3.45Å; K742-R744 PolarHBondContact O-N 3.13Å; R744-L746 HydrophobicContact CB-CD1 3.99Å; R744-L746 HydrophobicContact CB-CG 3.79Å; R744-L746 PolarHBondContact O-N 2.7Å
745	N	95.1	Very high	94.1	Very high	151 Å²	151	54.1 Å²	54.1	81%	0.807	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	41.5	-171.9	-57.8	-70.3	0	0	0	112.4	E741 K742	E741-N745 PolarHBondContact O-N 3.36Å; K742-N745 PolarHBondContact O-N 3.23Å; K742-N745 VanDerWaalsContact O-N 3.12Å
746	L	92.8	Very high	93.8	Very high	30 Å²	30	60.5 Å²	60.5	16%	0.157	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-85.3	157.6	171.7	-62.4	175.1	0	0	0	109.9	F566 E741 R744 I748	F566-L746 HydrophobicContact CD2-CD1 4.45Å; F566-L746 HydrophobicContact CE2-CD1 3.97Å; F566-L746 HydrophobicContact CZ-CD1 4.4Å; E741-L746 HydrophobicContact CB-CB 4.31Å; E741-L746 HydrophobicContact CG-CB 4.41Å; E741-L746 PolarHBondContact O-N 3.32Å; R744-L746 HydrophobicContact CB-CD1 3.99Å; R744-L746 HydrophobicContact CB-CG 3.79Å; R744-L746 PolarHBondContact O-N 2.7Å; L746-I748 PolarHBondContact O-N 2.92Å
747	P	90.9	Very high	93.4	Very high	79 Å²	79	62.3 Å²	62.3	51%	0.513	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-53.1	125.7	165.4	-22.4	32.9	0	0	0	110	V749	P747-V749 PolarHBondContact O-N 3.12Å
748	I	91.3	Very high	93.1	Very high	65 Å²	65	62.4 Å²	62.4	33%	0.333	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-78.4	117.4	178.2	-59	174.2	0	0	0	107.8	T738 E741 K742 L746 P751	T738-I748 HydrophobicContact CG2-CG2 4.17Å; E741-I748 HydrophobicContact CB-CG1 4.3Å; E741-I748 VanDerWaalsContact OE2-CA 3.27Å; E741-I748 WeakPolarHBondContact OE2-CA 3.42Å; K742-I748 HydrophobicContact CG-CD1 3.79Å; K742-I748 HydrophobicContact CG-CG1 4.46Å; L746-I748 PolarHBondContact O-N 2.92Å; I748-P751 HydrophobicContact CB-CG 4.42Å; I748-P751 HydrophobicContact CG2-CB 4.25Å; I748-P751 HydrophobicContact CG2-CG 3.96Å
749	V	85.2	Confident	92.8	Very high	6 Å²	6	63.1 Å²	63.1	4%	0.036	31%	0.306	C	S	.	.	S	Bend	trans	-80.6	-36.4	-171.4	179.4	0	0	0	0	111.2	P565 E741 P747	P565-V749 HydrophobicContact CB-CB 4.46Å; P565-V749 HydrophobicContact CB-CG1 3.71Å; P565-V749 HydrophobicContact CB-CG2 3.84Å; P565-V749 HydrophobicContact CG-CG1 4.15Å; E741-V749 VanDerWaalsContact OE1-CG2 3.3Å; E741-V749 WeakPolarHBondContact OE1-CG2 3.37Å; E741-V749 PolarHBondContact OE2-N 3.17Å; P747-V749 PolarHBondContact O-N 3.12Å
750	M	89.1	Confident	92.7	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	30%	0.299	C	S	.	.			trans	-130.6	70.4	-175.9	-63.6	175.4	65.1	0	0	111.1	D400 L401 Y734 N752 F753	D400-M750 HydrophobicContact CB-CB 4.35Å; L401-M750 HydrophobicContact CD2-CE 3.91Å; Y734-M750 HydrophobicContact CD1-SD 4.4Å; Y734-M750 HydrophobicContact CD2-CE 3.66Å; Y734-M750 HydrophobicContact CD2-SD 4.44Å; Y734-M750 HydrophobicContact CE1-SD 4.43Å; Y734-M750 HydrophobicContact CE2-CE 3.66Å; Y734-M750 HydrophobicContact CE2-SD 4.46Å; Y734-M750 HydrophobicContact CG-CE 4.16Å; Y734-M750 HydrophobicContact CG-SD 4.41Å; M750-N752 VanDerWaalsContact C-N 3.28Å; M750-N752 PolarHBondContact O-N 3.43Å; M750-N752 VanDerWaalsContact O-N 3.13Å; M750-F753 HydrophobicContact CB-CB 4.14Å; M750-F753 HydrophobicContact CB-CD2 3.76Å; M750-F753 HydrophobicContact CB-CG 4.27Å; M750-F753 HydrophobicContact CE-CD1 4.26Å; M750-F753 HydrophobicContact CE-CD2 3.37Å; M750-F753 HydrophobicContact CE-CE1 4.2Å; M750-F753 HydrophobicContact CE-CE2 3.27Å; M750-F753 HydrophobicContact CE-CG 3.85Å; M750-F753 HydrophobicContact CE-CZ 3.71Å; M750-F753 WeakPolarHBondContact O-CB 3.45Å; M750-F753 PolarHBondContact O-N 3.04Å
751	P	89.1	Confident	92.6	Very high	65 Å²	65	59.4 Å²	59.4	42%	0.422	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.7	-171	-27.6	34.9	0	0	0	116.8	D400 I748 F753	D400-P751 WeakPolarHBondContact OD2-CD 3.3Å; I748-P751 HydrophobicContact CB-CG 4.42Å; I748-P751 HydrophobicContact CG2-CB 4.25Å; I748-P751 HydrophobicContact CG2-CG 3.96Å; P751-F753 VanDerWaalsContact C-N 3.27Å
752	N	89.9	Confident	92.4	Very high	51 Å²	51	61.5 Å²	61.5	27%	0.273	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10	177.4	-65.4	-73.7	0	0	0	112.8	P396 I397 D400 M750 D754 C758	P396-N752 PolarHBondContact O-ND2 2.82Å; I397-N752 HydrophobicContact CG1-CB 3.68Å; D400-N752 VanDerWaalsContact CG-ND2 3.28Å; D400-N752 PolarHBondContact OD1-ND2 2.84Å; D400-N752 WeakPolarHBondContact OD2-CA 3.47Å; D400-N752 WeakPolarHBondContact OD2-CB 3.43Å; D400-N752 VanDerWaalsContact OD2-CG 3.3Å; D400-N752 PolarHBondContact OD2-N 2.68Å; D400-N752 PolarHBondContact OD2-ND2 2.79Å; M750-N752 VanDerWaalsContact C-N 3.28Å; M750-N752 PolarHBondContact O-N 3.43Å; M750-N752 VanDerWaalsContact O-N 3.13Å; N752-D754 PolarHBondContact O-N 3.02Å; N752-C758 VanDerWaalsContact O-CA 3.26Å; N752-C758 WeakPolarHBondContact O-CA 3.26Å; N752-C758 WeakPolarHBondContact O-CB 3.49Å; N752-C758 PolarHBondContact O-SG 3.38Å; N752-C758 VanDerWaalsContact O-SG 3.39Å
753	F	93.3	Very high	92.3	Very high	5 Å²	5	58.3 Å²	58.3	2%	0.022	29%	0.286	C	S	.	.			trans	-90.4	59.1	170.5	-69.1	-96.7	0	0	0	110.1	I397 D400 L401 Y734 F735 T738 M750 P751	I397-F753 HydrophobicContact CG2-CE2 4.18Å; I397-F753 HydrophobicContact CG2-CZ 4.31Å; D400-F753 HydrophobicContact CB-CE2 4.45Å; L401-F753 HydrophobicContact CD2-CE2 3.99Å; L401-F753 HydrophobicContact CD2-CZ 3.62Å; L401-F753 HydrophobicContact CG-CE2 4.02Å; L401-F753 HydrophobicContact CG-CZ 3.95Å; Y734-F753 AromaticContact CD2-CD1 3.6Å; Y734-F753 HydrophobicContact CD2-CD1 3.6Å; Y734-F753 AromaticContact CD2-CE1 3.7Å; Y734-F753 HydrophobicContact CD2-CE1 3.7Å; Y734-F753 HydrophobicContact CD2-CG 4.22Å; Y734-F753 HydrophobicContact CD2-CZ 4.38Å; Y734-F753 HydrophobicContact CE2-CE1 4.29Å; Y734-F753 HydrophobicContact CG-CD1 4.26Å; F735-F753 HydrophobicContact CD1-CB 4.43Å; F735-F753 WeakPolarHBondContact CD1-O 3.27Å; F735-F753 HydrophobicContact CE1-CB 4.44Å; T738-F753 VanDerWaalsContact CB-O 3.24Å; T738-F753 WeakPolarHBondContact CB-O 3.33Å; T738-F753 PolarHBondContact OG1-O 2.79Å; M750-F753 HydrophobicContact CB-CB 4.14Å; M750-F753 HydrophobicContact CB-CD2 3.76Å; M750-F753 HydrophobicContact CB-CG 4.27Å; M750-F753 HydrophobicContact CE-CD1 4.26Å; M750-F753 HydrophobicContact CE-CD2 3.37Å; M750-F753 HydrophobicContact CE-CE1 4.2Å; M750-F753 HydrophobicContact CE-CE2 3.27Å; M750-F753 HydrophobicContact CE-CG 3.85Å; M750-F753 HydrophobicContact CE-CZ 3.71Å; M750-F753 WeakPolarHBondContact O-CB 3.45Å; M750-F753 PolarHBondContact O-N 3.04Å; P751-F753 VanDerWaalsContact C-N 3.27Å
754	D	92.1	Very high	92.2	Very high	22 Å²	22	50.2 Å²	50.2	12%	0.118	26%	0.256	C	S	.	.			trans	-107.9	130.3	172.3	178.4	-40.8	0	0	0	108.5	K742 N752 Q756 T757 C758	K742-D754 IonicContact NZ-OD1 3.31Å; K742-D754 IonicContact NZ-OD2 3.3Å; K742-D754 PolarHBondContact NZ-OD2 3.39Å; N752-D754 PolarHBondContact O-N 3.02Å; D754-Q756 PolarHBondContact O-N 3.11Å; D754-Q756 WeakPolarHBondContact OD1-CB 3.14Å; D754-Q756 PolarHBondContact OD1-N 2.81Å; D754-T757 WeakPolarHBondContact CB-OG1 3.18Å; D754-T757 PolarHBondContact O-N 2.98Å; D754-C758 WeakPolarHBondContact O-CB 3.46Å; D754-C758 PolarHBondContact O-N 3.44Å
755	R	93.5	Very high	92.1	Very high	114 Å²	114	46 Å²	46	43%	0.43	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-30.5	-177.8	-173.6	-177.9	-61.7	-79.2	-0.9	113.4	E732 F735	E732-R755 IonicContact OE1-CZ 3.71Å; E732-R755 IonicContact OE1-NH1 3.44Å; E732-R755 PolarHBondContact OE1-NH1 2.66Å; E732-R755 IonicContact OE1-NH2 3.9Å; E732-R755 PolarHBondContact OE1-NH2 3.44Å; E732-R755 IonicContact OE2-CZ 3.68Å; E732-R755 VanDerWaalsContact OE2-CZ 3.28Å; E732-R755 IonicContact OE2-NH1 2.74Å; E732-R755 PolarHBondContact OE2-NH1 2.94Å; E732-R755 IonicContact OE2-NH2 2.9Å; E732-R755 PolarHBondContact OE2-NH2 3.36Å; E732-R755 VanDerWaalsContact OE2-NH2 3.09Å; F735-R755 HydrophobicContact CB-CB 4.21Å; F735-R755 HydrophobicContact CD2-CB 3.99Å; F735-R755 HydrophobicContact CD2-CG 4.12Å; F735-R755 HydrophobicContact CG-CB 3.99Å
756	Q	90.8	Very high	91.8	Very high	148 Å²	148	39 Å²	39	69%	0.692	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-25.5	-176.6	-57.3	-176.4	9.4	0	0	113.1	D754 H810	D754-Q756 PolarHBondContact O-N 3.11Å; D754-Q756 WeakPolarHBondContact OD1-CB 3.14Å; D754-Q756 PolarHBondContact OD1-N 2.81Å; Q756-H810 PolarHBondContact O-CE1 3.05Å; Q756-H810 PolarHBondContact O-ND1 3.29Å
757	T	89.4	Confident	91.8	Very high	88 Å²	88	39.1 Å²	39.1	54%	0.54	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-11.3	-168.9	61.9	0	0	0	0	115	D754 N759	D754-T757 WeakPolarHBondContact CB-OG1 3.18Å; D754-T757 PolarHBondContact O-N 2.98Å; T757-N759 PolarHBondContact O-N 2.57Å
758	C	91.7	Very high	91.9	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.047	18%	0.179	C	C	.	.			trans	-65.2	128.8	-176.4	-173	0	0	0	0	111.8	F735 N752 D754	F735-C758 HydrophobicContact CE1-CB 3.38Å; F735-C758 HydrophobicContact CZ-CB 3.6Å; N752-C758 VanDerWaalsContact O-CA 3.26Å; N752-C758 WeakPolarHBondContact O-CA 3.26Å; N752-C758 WeakPolarHBondContact O-CB 3.49Å; N752-C758 PolarHBondContact O-SG 3.38Å; N752-C758 VanDerWaalsContact O-SG 3.39Å; D754-C758 WeakPolarHBondContact O-CB 3.46Å; D754-C758 PolarHBondContact O-N 3.44Å
759	N	92	Very high	91.6	Very high	16 Å²	16	36.4 Å²	36.4	9%	0.086	19%	0.185	C	C	.	.			trans	-94.3	99.5	167.4	-170.8	-61.3	0	0	0	108.6	T757 S761 Q762 S763 I803 E806	T757-N759 PolarHBondContact O-N 2.57Å; N759-S761 VanDerWaalsContact C-N 3.32Å; N759-S761 PolarHBondContact O-N 3.06Å; N759-S761 PolarHBondContact OD1-N 3.45Å; N759-Q762 HydrophobicContact CB-CB 3.93Å; N759-Q762 PolarHBondContact O-N 2.94Å; N759-Q762 VanDerWaalsContact OD1-CB 3.27Å; N759-Q762 WeakPolarHBondContact OD1-CB 3.36Å; N759-Q762 PolarHBondContact OD1-N 2.84Å; N759-S763 PolarHBondContact O-N 3.23Å; N759-I803 PolarHBondContact ND2-O 3.39Å; N759-I803 VanDerWaalsContact ND2-O 3.12Å; N759-E806 PolarHBondContact OD1-OE2 3.32Å
760	I	94.2	Very high	91.7	Very high	37 Å²	37	38.7 Å²	38.7	19%	0.19	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-45.1	-177	-64.2	176.9	0	0	0	109.3	A727 A731 F735 Q762 S763 Q764 W799 E806	A727-I760 HydrophobicContact CB-CG2 4.36Å; A731-I760 HydrophobicContact CB-CD1 3.94Å; A731-I760 HydrophobicContact CB-CG1 4.07Å; F735-I760 HydrophobicContact CZ-CG1 4.47Å; I760-Q762 VanDerWaalsContact C-N 3.33Å; I760-Q762 PolarHBondContact O-N 3.42Å; I760-S763 WeakPolarHBondContact CA-OG 3.5Å; I760-S763 PolarHBondContact O-N 2.95Å; I760-S763 VanDerWaalsContact O-N 3.08Å; I760-S763 PolarHBondContact O-OG 2.9Å; I760-Q764 HydrophobicContact CG2-CG 4.17Å; I760-Q764 WeakPolarHBondContact O-CG 3.45Å; I760-Q764 PolarHBondContact O-N 2.93Å; I760-W799 HydrophobicContact CG2-CZ3 4.49Å; I760-E806 PolarHBondContact N-OE2 2.94Å
761	S	95.5	Very high	91.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56	-45.1	179.3	-74	0	0	0	0	112.9	N759 Q764 L765 N802 E806	N759-S761 VanDerWaalsContact C-N 3.32Å; N759-S761 PolarHBondContact O-N 3.06Å; N759-S761 PolarHBondContact OD1-N 3.45Å; S761-Q764 PolarHBondContact O-N 3.39Å; S761-L765 PolarHBondContact O-N 3.49Å; S761-N802 WeakPolarHBondContact OG-CB 3.4Å; S761-E806 PolarHBondContact N-OE2 3.26Å; S761-E806 VanDerWaalsContact OG-CD 3.22Å; S761-E806 PolarHBondContact OG-OE1 3.44Å; S761-E806 PolarHBondContact OG-OE2 3.12Å
762	Q	93.6	Very high	91.7	Very high	46 Å²	46	35.6 Å²	35.6	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-43.8	176.2	-176.6	64.4	49.6	0	0	110.7	I397 N759 I760 Q764 L765 S766 I803	I397-Q762 HydrophobicContact CD1-CB 3.83Å; I397-Q762 HydrophobicContact CD1-CG 3.49Å; I397-Q762 VanDerWaalsContact CD1-CG 3.49Å; N759-Q762 HydrophobicContact CB-CB 3.93Å; N759-Q762 PolarHBondContact O-N 2.94Å; N759-Q762 VanDerWaalsContact OD1-CB 3.27Å; N759-Q762 WeakPolarHBondContact OD1-CB 3.36Å; N759-Q762 PolarHBondContact OD1-N 2.84Å; I760-Q762 VanDerWaalsContact C-N 3.33Å; I760-Q762 PolarHBondContact O-N 3.42Å; Q762-Q764 VanDerWaalsContact C-N 3.3Å; Q762-Q764 PolarHBondContact O-N 2.58Å; Q762-L765 PolarHBondContact O-N 3.23Å; Q762-S766 PolarHBondContact NE2-OG 2.79Å; Q762-S766 WeakPolarHBondContact O-CB 3.17Å; Q762-S766 PolarHBondContact O-N 3.18Å; Q762-S766 PolarHBondContact O-OG 2.69Å; Q762-I803 HydrophobicContact CB-CG1 4.3Å
763	S	94	Very high	91.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-39.9	177.6	77.9	0	0	0	0	113.2	N759 I760 S766 F767	N759-S763 PolarHBondContact O-N 3.23Å; I760-S763 WeakPolarHBondContact CA-OG 3.5Å; I760-S763 PolarHBondContact O-N 2.95Å; I760-S763 VanDerWaalsContact O-N 3.08Å; I760-S763 PolarHBondContact O-OG 2.9Å; S763-S766 PolarHBondContact O-N 3.3Å; S763-F767 WeakPolarHBondContact O-CB 3.38Å; S763-F767 PolarHBondContact O-N 3.3Å
764	Q	96.3	Very high	91.3	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-41.4	178.3	-64.2	-52.5	-66.5	0	0	111.3	A727 I760 S761 Q762 F767 I768 W799	A727-Q764 HydrophobicContact CB-CG 3.87Å; I760-Q764 HydrophobicContact CG2-CG 4.17Å; I760-Q764 WeakPolarHBondContact O-CG 3.45Å; I760-Q764 PolarHBondContact O-N 2.93Å; S761-Q764 PolarHBondContact O-N 3.39Å; Q762-Q764 VanDerWaalsContact C-N 3.3Å; Q762-Q764 PolarHBondContact O-N 2.58Å; Q764-F767 PolarHBondContact O-N 3.21Å; Q764-I768 WeakPolarHBondContact O-CB 3.46Å; Q764-I768 WeakPolarHBondContact O-CD1 3.38Å; Q764-I768 WeakPolarHBondContact O-CG1 3.09Å; Q764-I768 PolarHBondContact O-N 2.61Å; Q764-W799 HydrophobicContact CB-CD2 3.86Å; Q764-W799 HydrophobicContact CB-CG 3.86Å; Q764-W799 HydrophobicContact CB-CZ2 4.45Å; Q764-W799 HydrophobicContact CG-CD2 4.08Å; Q764-W799 HydrophobicContact CG-CE3 4.4Å; Q764-W799 HydrophobicContact CG-CH2 4.24Å; Q764-W799 HydrophobicContact CG-CZ2 3.92Å; Q764-W799 HydrophobicContact CG-CZ3 4.47Å
765	L	93.7	Very high	91.3	Very high	16 Å²	16	38.7 Å²	38.7	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-46.7	174.4	-73	-178.9	0	0	0	112.3	S761 Q762 F767 I768 D769 T796 W799 A800 I803	S761-L765 PolarHBondContact O-N 3.49Å; Q762-L765 PolarHBondContact O-N 3.23Å; L765-F767 VanDerWaalsContact C-N 3.29Å; L765-F767 PolarHBondContact O-N 3.43Å; L765-I768 PolarHBondContact O-N 3.12Å; L765-D769 WeakPolarHBondContact O-CB 3.49Å; L765-D769 PolarHBondContact O-N 3.36Å; L765-T796 HydrophobicContact CD2-CG2 3.7Å; L765-T796 WeakPolarHBondContact CD2-O 3.23Å; L765-W799 HydrophobicContact CD1-CB 4.42Å; L765-W799 HydrophobicContact CD2-CB 3.77Å; L765-W799 HydrophobicContact CG-CB 3.75Å; L765-A800 HydrophobicContact CD1-CB 3.92Å; L765-I803 HydrophobicContact CD1-CD1 3.3Å; L765-I803 HydrophobicContact CD1-CG1 4.17Å
766	S	89.3	Confident	91.5	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-42.6	178.2	-59.5	0	0	0	0	111.3	D395 T398 Q762 S763 F770	D395-S766 WeakPolarHBondContact OD2-CB 3.26Å; D395-S766 PolarHBondContact OD2-OG 2.97Å; T398-S766 VanDerWaalsContact OG1-CB 3.26Å; T398-S766 WeakPolarHBondContact OG1-CB 3.45Å; T398-S766 PolarHBondContact OG1-OG 3.42Å; Q762-S766 PolarHBondContact NE2-OG 2.79Å; Q762-S766 WeakPolarHBondContact O-CB 3.17Å; Q762-S766 PolarHBondContact O-N 3.18Å; Q762-S766 PolarHBondContact O-OG 2.69Å; S763-S766 PolarHBondContact O-N 3.3Å; S766-F770 VanDerWaalsContact O-CB 3.23Å; S766-F770 WeakPolarHBondContact O-CB 3.33Å; S766-F770 PolarHBondContact O-N 2.95Å
767	F	92.7	Very high	91.5	Very high	34 Å²	34	29.5 Å²	29.5	15%	0.149	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-45.9	175.5	-173.3	-105.8	0	0	0	112.5	L401 L405 M629 V713 S763 Q764 L765 D769 F771 L772	L401-F767 HydrophobicContact CD1-CB 4.03Å; L401-F767 HydrophobicContact CD2-CD2 4.38Å; L405-F767 HydrophobicContact CD1-CD2 4.42Å; L405-F767 HydrophobicContact CD1-CE2 4.08Å; M629-F767 HydrophobicContact CE-CE2 3.85Å; M629-F767 HydrophobicContact CE-CZ 4.22Å; V713-F767 HydrophobicContact CB-CE1 4.17Å; V713-F767 HydrophobicContact CB-CZ 4.12Å; V713-F767 HydrophobicContact CG1-CE1 4.36Å; V713-F767 HydrophobicContact CG1-CZ 3.82Å; S763-F767 WeakPolarHBondContact O-CB 3.38Å; S763-F767 PolarHBondContact O-N 3.3Å; Q764-F767 PolarHBondContact O-N 3.21Å; L765-F767 VanDerWaalsContact C-N 3.29Å; L765-F767 PolarHBondContact O-N 3.43Å; F767-D769 PolarHBondContact O-N 2.8Å; F767-F771 AromaticContact CD2-CD2 3.46Å; F767-F771 HydrophobicContact CD2-CD2 3.46Å; F767-F771 VanDerWaalsContact CD2-CD2 3.46Å; F767-F771 AromaticContact CD2-CE2 3.98Å; F767-F771 HydrophobicContact CD2-CE2 3.98Å; F767-F771 HydrophobicContact CD2-CG 4.37Å; F767-F771 HydrophobicContact CE2-CB 4.4Å; F767-F771 AromaticContact CE2-CD2 3.66Å; F767-F771 HydrophobicContact CE2-CD2 3.66Å; F767-F771 HydrophobicContact CE2-CE2 4.19Å; F767-F771 HydrophobicContact CE2-CG 4.23Å; F767-F771 HydrophobicContact CG-CD2 4.29Å; F767-F771 PolarHBondContact O-N 3.46Å; F767-L772 HydrophobicContact CD1-CD1 3.65Å; F767-L772 HydrophobicContact CE1-CD1 3.31Å; F767-L772 HydrophobicContact CZ-CD1 3.94Å
768	I	93.2	Very high	91.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-59.3	-49	177.7	-73.3	163.7	0	0	0	110.8	P716 Q764 L765 L772 K773 L792	P716-I768 HydrophobicContact CB-CD1 3.89Å; P716-I768 HydrophobicContact CB-CG1 3.74Å; P716-I768 HydrophobicContact CG-CD1 4.43Å; P716-I768 HydrophobicContact CG-CG1 4Å; Q764-I768 WeakPolarHBondContact O-CB 3.46Å; Q764-I768 WeakPolarHBondContact O-CD1 3.38Å; Q764-I768 WeakPolarHBondContact O-CG1 3.09Å; Q764-I768 PolarHBondContact O-N 2.61Å; L765-I768 PolarHBondContact O-N 3.12Å; I768-L772 HydrophobicContact CG1-CD2 4.38Å; I768-L772 PolarHBondContact O-N 2.98Å; I768-L772 VanDerWaalsContact O-N 3.08Å; I768-K773 HydrophobicContact CG2-CG 4.02Å; I768-K773 PolarHBondContact O-N 3.18Å; I768-L792 HydrophobicContact CD1-CD1 4.48Å; I768-L792 HydrophobicContact CG1-CD1 4.26Å; I768-L792 HydrophobicContact CG2-CD1 3.91Å
769	D	85.9	Confident	91.7	Very high	87 Å²	87	25.3 Å²	25.3	47%	0.465	14%	0.143	S	C	.	.	I	π-helix	trans	-65.8	-41.4	-175.5	-76.8	-11.7	0	0	0	112	L765 F767 K773	L765-D769 WeakPolarHBondContact O-CB 3.49Å; L765-D769 PolarHBondContact O-N 3.36Å; F767-D769 PolarHBondContact O-N 2.8Å; D769-K773 WeakPolarHBondContact OD1-CD 3.02Å; D769-K773 WeakPolarHBondContact OD1-CE 3.4Å; D769-K773 IonicContact OD1-NZ 3.23Å; D769-K773 PolarHBondContact OD1-NZ 3.27Å
770	F	85.5	Confident	91.9	Very high	53 Å²	53	26.8 Å²	26.8	23%	0.232	15%	0.151	C	C	.	.	I	π-helix	trans	-84.5	-39.9	-172.8	-162.9	-101.5	0	0	0	113.4	T398 I402 I406 F633 S766	T398-F770 HydrophobicContact CG2-CB 4.28Å; T398-F770 HydrophobicContact CG2-CD2 3.96Å; T398-F770 HydrophobicContact CG2-CG 4.1Å; I402-F770 HydrophobicContact CD1-CD1 4.37Å; I402-F770 HydrophobicContact CD1-CD2 4.36Å; I402-F770 HydrophobicContact CD1-CE1 3.72Å; I402-F770 HydrophobicContact CD1-CE2 3.73Å; I402-F770 HydrophobicContact CD1-CZ 3.37Å; I402-F770 HydrophobicContact CG1-CD1 4Å; I402-F770 HydrophobicContact CG1-CE1 3.43Å; I402-F770 VanDerWaalsContact CG1-CE1 3.43Å; I402-F770 HydrophobicContact CG1-CE2 4.37Å; I402-F770 HydrophobicContact CG1-CZ 3.66Å; I406-F770 HydrophobicContact CD1-CE1 3.97Å; F633-F770 AromaticContact CE2-CE1 3.69Å; F633-F770 HydrophobicContact CE2-CE1 3.69Å; F633-F770 HydrophobicContact CE2-CZ 4.04Å; F633-F770 AromaticContact CZ-CD1 3.94Å; F633-F770 HydrophobicContact CZ-CD1 3.94Å; F633-F770 AromaticContact CZ-CE1 3.37Å; F633-F770 HydrophobicContact CZ-CE1 3.37Å; F633-F770 AromaticContact CZ-CZ 3.72Å; F633-F770 HydrophobicContact CZ-CZ 3.72Å; S766-F770 VanDerWaalsContact O-CB 3.23Å; S766-F770 WeakPolarHBondContact O-CB 3.33Å; S766-F770 PolarHBondContact O-N 2.95Å
771	F	87.5	Confident	91.8	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	15%	0.154	C	C	.	.	I	π-helix	trans	-108.6	-36.7	-173.3	-64.8	-74.2	0	0	0	113.9	L401 L405 I406 M629 H632 F767 M775	L401-F771 HydrophobicContact CB-CE2 4.4Å; L405-F771 HydrophobicContact CD1-CE2 4.04Å; L405-F771 HydrophobicContact CD1-CZ 4.22Å; I406-F771 HydrophobicContact CD1-CE1 3.61Å; I406-F771 HydrophobicContact CD1-CZ 3.77Å; I406-F771 HydrophobicContact CG1-CE1 4.05Å; I406-F771 HydrophobicContact CG1-CZ 4.03Å; M629-F771 HydrophobicContact CE-CB 4.13Å; M629-F771 HydrophobicContact CE-CD1 3.35Å; M629-F771 HydrophobicContact CE-CD2 4Å; M629-F771 HydrophobicContact CE-CE1 3.56Å; M629-F771 HydrophobicContact CE-CE2 4.19Å; M629-F771 HydrophobicContact CE-CG 3.57Å; M629-F771 HydrophobicContact CE-CZ 3.98Å; M629-F771 HydrophobicContact SD-CD1 4.46Å; H632-F771 PolarHBondContact CE1-O 3.48Å; H632-F771 PolarHBondContact NE2-O 2.95Å; F767-F771 AromaticContact CD2-CD2 3.46Å; F767-F771 HydrophobicContact CD2-CD2 3.46Å; F767-F771 VanDerWaalsContact CD2-CD2 3.46Å; F767-F771 AromaticContact CD2-CE2 3.98Å; F767-F771 HydrophobicContact CD2-CE2 3.98Å; F767-F771 HydrophobicContact CD2-CG 4.37Å; F767-F771 HydrophobicContact CE2-CB 4.4Å; F767-F771 AromaticContact CE2-CD2 3.66Å; F767-F771 HydrophobicContact CE2-CD2 3.66Å; F767-F771 HydrophobicContact CE2-CE2 4.19Å; F767-F771 HydrophobicContact CE2-CG 4.23Å; F767-F771 HydrophobicContact CG-CD2 4.29Å; F767-F771 PolarHBondContact O-N 3.46Å; F771-M775 WeakPolarHBondContact O-CB 3.29Å
772	L	92.5	Very high	91.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-93.1	-46.7	-167.8	-83	62.9	0	0	0	113.3	V713 P716 F767 I768 G774 M775 F776 L792	V713-L772 HydrophobicContact CB-CD1 4.26Å; V713-L772 HydrophobicContact CG2-CD1 3.94Å; V713-L772 HydrophobicContact CG2-CG 4.27Å; P716-L772 HydrophobicContact CB-CD2 3.62Å; P716-L772 HydrophobicContact CG-CD2 3.43Å; P716-L772 VanDerWaalsContact CG-CD2 3.43Å; F767-L772 HydrophobicContact CD1-CD1 3.65Å; F767-L772 HydrophobicContact CE1-CD1 3.31Å; F767-L772 HydrophobicContact CZ-CD1 3.94Å; I768-L772 HydrophobicContact CG1-CD2 4.38Å; I768-L772 PolarHBondContact O-N 2.98Å; I768-L772 VanDerWaalsContact O-N 3.08Å; L772-G774 VanDerWaalsContact C-N 3.33Å; L772-G774 PolarHBondContact O-N 2.99Å; L772-M775 PolarHBondContact O-N 3.47Å; L772-F776 HydrophobicContact CB-CD2 3.97Å; L772-F776 HydrophobicContact CB-CE2 4.39Å; L772-F776 HydrophobicContact CD2-CD2 4.45Å; L772-F776 HydrophobicContact CD2-CE2 4.15Å; L772-F776 HydrophobicContact CG-CD2 4.02Å; L772-F776 HydrophobicContact CG-CE2 3.92Å; L772-F776 PolarHBondContact O-N 3.36Å; L772-L792 HydrophobicContact CD2-CD1 4.38Å
773	K	87.9	Confident	91.8	Very high	94 Å²	94	25 Å²	25	41%	0.409	15%	0.146	S	C	.	.	H	α-helix	trans	-53.2	-49	-171.1	-80.5	-173.7	175.5	168.9	0	112.6	I768 D769 S777	I768-K773 HydrophobicContact CG2-CG 4.02Å; I768-K773 PolarHBondContact O-N 3.18Å; D769-K773 WeakPolarHBondContact OD1-CD 3.02Å; D769-K773 WeakPolarHBondContact OD1-CE 3.4Å; D769-K773 IonicContact OD1-NZ 3.23Å; D769-K773 PolarHBondContact OD1-NZ 3.27Å; K773-S777 WeakPolarHBondContact O-CB 3.44Å; K773-S777 PolarHBondContact O-N 3.09Å
774	G	85.1	Confident	91.9	Very high	49 Å²	49	28.6 Å²	28.6	51%	0.505	17%	0.17	S	C	.	.	H	α-helix	trans	-66	-40.2	178.4	0	0	0	0	0	113.1	L772 G778	L772-G774 VanDerWaalsContact C-N 3.33Å; L772-G774 PolarHBondContact O-N 2.99Å; G774-G778 PolarHBondContact O-N 3.12Å
775	M	94	Very high	92	Very high	1 Å²	1	28 Å²	28	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-53.6	-179.2	-174.8	173.9	71.3	0	0	112.1	V636 L706 K709 V713 F771 L772 G778 F779	V636-M775 HydrophobicContact CG1-CB 4.39Å; V636-M775 HydrophobicContact CG2-CB 3.96Å; V636-M775 HydrophobicContact CG2-CG 3.81Å; V636-M775 HydrophobicContact CG2-SD 4.14Å; L706-M775 HydrophobicContact CD1-CG 3.69Å; L706-M775 HydrophobicContact CD1-SD 4.03Å; K709-M775 HydrophobicContact CB-SD 3.92Å; V713-M775 HydrophobicContact CG2-CE 3.43Å; V713-M775 VanDerWaalsContact CG2-CE 3.43Å; F771-M775 WeakPolarHBondContact O-CB 3.29Å; L772-M775 PolarHBondContact O-N 3.47Å; M775-G778 PolarHBondContact O-N 3.04Å; M775-F779 PolarHBondContact O-N 3.27Å
776	F	96.1	Very high	92.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-38.5	-178.9	-84.3	-85.3	0	0	0	112.2	F530 C710 T717 L772 G778 F779 D780 I785 L788 M789 L792	F530-F776 HydrophobicContact CZ-CE1 4.49Å; C710-F776 HydrophobicContact CB-CE1 4.18Å; C710-F776 HydrophobicContact CB-CZ 4.06Å; T717-F776 HydrophobicContact CG2-CD1 3.95Å; T717-F776 HydrophobicContact CG2-CD2 4.25Å; T717-F776 HydrophobicContact CG2-CE1 3.61Å; T717-F776 HydrophobicContact CG2-CE2 3.92Å; T717-F776 HydrophobicContact CG2-CG 4.26Å; T717-F776 HydrophobicContact CG2-CZ 3.59Å; L772-F776 HydrophobicContact CB-CD2 3.97Å; L772-F776 HydrophobicContact CB-CE2 4.39Å; L772-F776 HydrophobicContact CD2-CD2 4.45Å; L772-F776 HydrophobicContact CD2-CE2 4.15Å; L772-F776 HydrophobicContact CG-CD2 4.02Å; L772-F776 HydrophobicContact CG-CE2 3.92Å; L772-F776 PolarHBondContact O-N 3.36Å; F776-G778 VanDerWaalsContact C-N 3.32Å; F776-G778 PolarHBondContact O-N 2.97Å; F776-F779 PolarHBondContact O-N 2.83Å; F776-D780 VanDerWaalsContact O-CB 3.25Å; F776-D780 WeakPolarHBondContact O-CB 3.37Å; F776-D780 PolarHBondContact O-N 2.98Å; F776-I785 HydrophobicContact CD1-CD1 3.85Å; F776-I785 HydrophobicContact CE1-CD1 4.41Å; F776-L788 HydrophobicContact CE1-CD2 4.32Å; F776-M789 HydrophobicContact CB-SD 4Å; F776-L792 HydrophobicContact CB-CD2 4.26Å
777	S	91.8	Very high	92.5	Very high	69 Å²	69	35.4 Å²	35.4	48%	0.483	21%	0.209	S	C	.	.	H	α-helix	trans	-63.4	-40	172.3	179.9	0	0	0	0	111.8	K773 C781	K773-S777 WeakPolarHBondContact O-CB 3.44Å; K773-S777 PolarHBondContact O-N 3.09Å; S777-C781 VanDerWaalsContact O-CB 3.29Å; S777-C781 WeakPolarHBondContact O-CB 3.1Å; S777-C781 PolarHBondContact O-N 3.37Å; S777-C781 VanDerWaalsContact O-N 3.1Å
778	G	90.2	Very high	92.8	Very high	6 Å²	6	33.8 Å²	33.8	6%	0.062	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-45.7	173.2	0	0	0	0	0	112.2	F639 S644 G774 M775 F776 C781	F639-G778 WeakPolarHBondContact CE1-O 3.45Å; S644-G778 PolarHBondContact OG-O 2.81Å; G774-G778 PolarHBondContact O-N 3.12Å; M775-G778 PolarHBondContact O-N 3.04Å; F776-G778 VanDerWaalsContact C-N 3.32Å; F776-G778 PolarHBondContact O-N 2.97Å; G778-C781 WeakPolarHBondContact O-CB 3.49Å
779	F	94.6	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-52.8	178.4	-167.7	-85.1	0	0	0	112	F530 I536 L706 I707 M775 F776 C781 V782 F783 I785	F530-F779 AromaticContact CD1-CE1 3.72Å; F530-F779 HydrophobicContact CD1-CE1 3.72Å; F530-F779 AromaticContact CD1-CZ 3.72Å; F530-F779 HydrophobicContact CD1-CZ 3.72Å; F530-F779 AromaticContact CE1-CE1 3.84Å; F530-F779 HydrophobicContact CE1-CE1 3.84Å; F530-F779 HydrophobicContact CE1-CZ 4.16Å; F530-F779 HydrophobicContact CG-CZ 4.18Å; I536-F779 HydrophobicContact CD1-CZ 3.9Å; L706-F779 HydrophobicContact CB-CD2 4.46Å; L706-F779 HydrophobicContact CD2-CB 4.15Å; L706-F779 HydrophobicContact CD2-CD2 3.66Å; L706-F779 HydrophobicContact CD2-CG 4.4Å; L706-F779 HydrophobicContact CG-CD2 3.92Å; I707-F779 HydrophobicContact CG1-CE2 4.1Å; I707-F779 HydrophobicContact CG1-CZ 4.37Å; M775-F779 PolarHBondContact O-N 3.27Å; F776-F779 PolarHBondContact O-N 2.83Å; F779-C781 PolarHBondContact O-N 3.01Å; F779-V782 PolarHBondContact O-N 3.08Å; F779-F783 HydrophobicContact CD1-CB 4.06Å; F779-F783 HydrophobicContact CD1-CD2 4.29Å; F779-F783 HydrophobicContact CD2-CD2 4.16Å; F779-F783 HydrophobicContact CE1-CB 3.67Å; F779-F783 AromaticContact CE1-CD2 3.98Å; F779-F783 HydrophobicContact CE1-CD2 3.98Å; F779-F783 HydrophobicContact CE1-CG 4.25Å; F779-F783 AromaticContact CE2-CD2 3.83Å; F779-F783 HydrophobicContact CE2-CD2 3.83Å; F779-F783 HydrophobicContact CE2-CE2 4.37Å; F779-F783 HydrophobicContact CG-CD2 4.38Å; F779-F783 HydrophobicContact CZ-CB 4.17Å; F779-F783 AromaticContact CZ-CD2 3.74Å; F779-F783 HydrophobicContact CZ-CD2 3.74Å; F779-F783 HydrophobicContact CZ-CG 4.29Å; F779-F783 PolarHBondContact O-N 2.99Å; F779-I785 HydrophobicContact CD1-CD1 3.76Å; F779-I785 HydrophobicContact CD1-CG1 4.31Å; F779-I785 HydrophobicContact CD1-CG2 4.49Å; F779-I785 HydrophobicContact CE1-CD1 4.38Å; F779-I785 HydrophobicContact CE1-CG2 4.2Å
780	D	95.7	Very high	93.6	Very high	47 Å²	47	36 Å²	36	25%	0.251	21%	0.212	S	C	.	.	H	α-helix	trans	-56.3	-36.7	179.4	179.4	66	0	0	0	112.6	F776 V782 F783 P784 I785 M789	F776-D780 VanDerWaalsContact O-CB 3.25Å; F776-D780 WeakPolarHBondContact O-CB 3.37Å; F776-D780 PolarHBondContact O-N 2.98Å; D780-V782 PolarHBondContact O-N 3.42Å; D780-V782 VanDerWaalsContact O-N 3.16Å; D780-F783 WeakPolarHBondContact CA-O 3.25Å; D780-F783 CarbonylContact O-C 3.46Å; D780-P784 WeakPolarHBondContact O-CA 3.12Å; D780-P784 WeakPolarHBondContact OD1-CA 3.26Å; D780-I785 HydrophobicContact CB-CD1 4.34Å; D780-I785 HydrophobicContact CB-CG1 3.78Å; D780-I785 WeakPolarHBondContact OD1-CG1 3.41Å; D780-I785 PolarHBondContact OD1-N 2.97Å; D780-M789 HydrophobicContact CB-CG 4.06Å; D780-M789 HydrophobicContact CB-SD 4.07Å
781	C	93.2	Very high	94.2	Very high	37 Å²	37	34.6 Å²	34.6	25%	0.25	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.5	174.5	178.6	0	0	0	0	113.7	L648 S777 G778 F779	L648-C781 VanDerWaalsContact CD2-SG 3.51Å; L648-C781 WeakPolarHBondContact CG-SG 3.44Å; S777-C781 VanDerWaalsContact O-CB 3.29Å; S777-C781 WeakPolarHBondContact O-CB 3.1Å; S777-C781 PolarHBondContact O-N 3.37Å; S777-C781 VanDerWaalsContact O-N 3.1Å; G778-C781 WeakPolarHBondContact O-CB 3.49Å; F779-C781 PolarHBondContact O-N 3.01Å
782	V	93.1	Very high	94.8	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.048	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-40.1	-179.2	-175.7	0	0	0	0	111.2	F639 L643 M647 L694 F779 D780	F639-V782 HydrophobicContact CE1-CB 4.28Å; F639-V782 HydrophobicContact CE1-CG2 3.7Å; F639-V782 HydrophobicContact CZ-CB 4.04Å; F639-V782 HydrophobicContact CZ-CG1 4.41Å; F639-V782 HydrophobicContact CZ-CG2 3.88Å; L643-V782 HydrophobicContact CB-CG2 4.05Å; M647-V782 HydrophobicContact CG-CG2 4.36Å; L694-V782 HydrophobicContact CD2-CG1 3.86Å; F779-V782 PolarHBondContact O-N 3.08Å; D780-V782 PolarHBondContact O-N 3.42Å; D780-V782 VanDerWaalsContact O-N 3.16Å
783	F	95.4	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-126.9	90.9	-178.2	-51.7	-63.3	0	0	0	108.4	H533 L535 I536 F639 L694 I703 F779 D780 I785	H533-F783 AromaticContact CE1-CD1 3.99Å; H533-F783 AromaticContact ND1-CD1 3.92Å; L535-F783 HydrophobicContact CB-CD1 3.96Å; L535-F783 HydrophobicContact CB-CE1 4.02Å; L535-F783 HydrophobicContact CD1-CD1 4.43Å; I536-F783 HydrophobicContact CD1-CB 4.48Å; I536-F783 HydrophobicContact CD1-CD1 4.09Å; I536-F783 HydrophobicContact CD1-CD2 4.05Å; I536-F783 HydrophobicContact CD1-CE1 4.3Å; I536-F783 HydrophobicContact CD1-CE2 4.27Å; I536-F783 HydrophobicContact CD1-CG 3.94Å; I536-F783 HydrophobicContact CD1-CZ 4.39Å; I536-F783 HydrophobicContact CG1-CD1 3.69Å; I536-F783 HydrophobicContact CG1-CD2 4.36Å; I536-F783 HydrophobicContact CG1-CE1 3.58Å; I536-F783 HydrophobicContact CG1-CE2 4.27Å; I536-F783 HydrophobicContact CG1-CG 4.08Å; I536-F783 HydrophobicContact CG1-CZ 3.88Å; F639-F783 HydrophobicContact CE2-CE2 4.18Å; F639-F783 HydrophobicContact CZ-CD2 4.33Å; F639-F783 AromaticContact CZ-CE2 3.93Å; F639-F783 HydrophobicContact CZ-CE2 3.93Å; L694-F783 HydrophobicContact CD1-CE1 4.44Å; L694-F783 HydrophobicContact CD2-CZ 4.34Å; I703-F783 HydrophobicContact CD1-CZ 3.97Å; I703-F783 HydrophobicContact CG1-CE2 4.17Å; I703-F783 HydrophobicContact CG1-CZ 4.05Å; I703-F783 HydrophobicContact CG2-CE2 4.04Å; I703-F783 HydrophobicContact CG2-CZ 4.04Å; F779-F783 HydrophobicContact CD1-CB 4.06Å; F779-F783 HydrophobicContact CD1-CD2 4.29Å; F779-F783 HydrophobicContact CD2-CD2 4.16Å; F779-F783 HydrophobicContact CE1-CB 3.67Å; F779-F783 AromaticContact CE1-CD2 3.98Å; F779-F783 HydrophobicContact CE1-CD2 3.98Å; F779-F783 HydrophobicContact CE1-CG 4.25Å; F779-F783 AromaticContact CE2-CD2 3.83Å; F779-F783 HydrophobicContact CE2-CD2 3.83Å; F779-F783 HydrophobicContact CE2-CE2 4.37Å; F779-F783 HydrophobicContact CG-CD2 4.38Å; F779-F783 HydrophobicContact CZ-CB 4.17Å; F779-F783 AromaticContact CZ-CD2 3.74Å; F779-F783 HydrophobicContact CZ-CD2 3.74Å; F779-F783 HydrophobicContact CZ-CG 4.29Å; F779-F783 PolarHBondContact O-N 2.99Å; D780-F783 WeakPolarHBondContact CA-O 3.25Å; D780-F783 CarbonylContact O-C 3.46Å; F783-I785 PolarHBondContact O-N 3.19Å
784	P	96.4	Very high	95.5	Very high	79 Å²	79	40.6 Å²	40.6	51%	0.513	24%	0.24	S	C	.	.			trans	-55.8	126.3	-175.2	-28.3	36.2	0	0	0	113	D780	D780-P784 WeakPolarHBondContact O-CA 3.12Å; D780-P784 WeakPolarHBondContact OD1-CA 3.26Å
785	I	97.4	Very high	96.2	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	22%	0.217	C	C	.	.			trans	-134.5	58.5	-176.3	47.7	164	0	0	0	110.5	F530 F776 F779 D780 F783 E787 L788 M789	F530-I785 HydrophobicContact CE1-CG2 4.28Å; F776-I785 HydrophobicContact CD1-CD1 3.85Å; F776-I785 HydrophobicContact CE1-CD1 4.41Å; F779-I785 HydrophobicContact CD1-CD1 3.76Å; F779-I785 HydrophobicContact CD1-CG1 4.31Å; F779-I785 HydrophobicContact CD1-CG2 4.49Å; F779-I785 HydrophobicContact CE1-CD1 4.38Å; F779-I785 HydrophobicContact CE1-CG2 4.2Å; D780-I785 HydrophobicContact CB-CD1 4.34Å; D780-I785 HydrophobicContact CB-CG1 3.78Å; D780-I785 WeakPolarHBondContact OD1-CG1 3.41Å; D780-I785 PolarHBondContact OD1-N 2.97Å; F783-I785 PolarHBondContact O-N 3.19Å; I785-E787 VanDerWaalsContact C-N 3.29Å; I785-E787 PolarHBondContact O-N 2.9Å; I785-L788 HydrophobicContact CB-CB 4.18Å; I785-L788 HydrophobicContact CB-CD1 4.26Å; I785-L788 HydrophobicContact CB-CD2 4.13Å; I785-L788 HydrophobicContact CB-CG 4.4Å; I785-L788 HydrophobicContact CD1-CB 4.11Å; I785-L788 HydrophobicContact CD1-CD2 3.82Å; I785-L788 HydrophobicContact CG1-CB 4.44Å; I785-L788 HydrophobicContact CG2-CD2 4.35Å; I785-L788 WeakPolarHBondContact O-CB 3.28Å; I785-L788 PolarHBondContact O-N 3.48Å; I785-L788 VanDerWaalsContact O-N 3.08Å; I785-M789 HydrophobicContact CD1-SD 4.48Å; I785-M789 HydrophobicContact CG1-CG 4.29Å; I785-M789 PolarHBondContact O-N 3.33Å; I785-M789 VanDerWaalsContact O-N 3.11Å
786	P	96.7	Very high	96.3	Very high	95 Å²	95	39.4 Å²	39.4	62%	0.617	22%	0.223	S	C	*	.	H	α-helix	trans	-61.3	-33.4	-168.7	24.6	-35.3	0	0	0	113.9	M789 N790	P786-M789 PolarHBondContact O-N 3.22Å; P786-N790 WeakPolarHBondContact O-CB 3.48Å; P786-N790 PolarHBondContact O-N 2.93Å
787	E	97.9	Very high	96.4	Very high	81 Å²	81	43.6 Å²	43.6	38%	0.379	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-45.6	176	-176.5	-178.1	178.8	0	0	111.6	I785 N790 N791	I785-E787 VanDerWaalsContact C-N 3.29Å; I785-E787 PolarHBondContact O-N 2.9Å; E787-N790 PolarHBondContact O-N 3.23Å; E787-N791 PolarHBondContact O-N 3.05Å
788	L	98.5	Very high	96.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-43	179.1	-75.6	64.8	0	0	0	111	W457 Y529 F530 F776 I785 N791 L792	W457-L788 HydrophobicContact CB-CD1 4.3Å; W457-L788 HydrophobicContact CD2-CD1 3.52Å; W457-L788 HydrophobicContact CD2-CD2 4.09Å; W457-L788 HydrophobicContact CD2-CG 3.77Å; W457-L788 HydrophobicContact CE3-CD1 4.05Å; W457-L788 HydrophobicContact CE3-CD2 4.24Å; W457-L788 HydrophobicContact CE3-CG 4.37Å; W457-L788 HydrophobicContact CG-CD1 3.59Å; W457-L788 HydrophobicContact CG-CG 4.15Å; W457-L788 HydrophobicContact CH2-CD2 3.6Å; W457-L788 HydrophobicContact CH2-CG 4.25Å; W457-L788 HydrophobicContact CZ2-CD1 4.34Å; W457-L788 HydrophobicContact CZ2-CD2 3.45Å; W457-L788 VanDerWaalsContact CZ2-CD2 3.45Å; W457-L788 HydrophobicContact CZ2-CG 3.66Å; W457-L788 HydrophobicContact CZ3-CD2 4Å; Y529-L788 HydrophobicContact CE1-CD1 3.93Å; F530-L788 HydrophobicContact CE1-CD2 3.59Å; F530-L788 HydrophobicContact CZ-CD2 3.69Å; F776-L788 HydrophobicContact CE1-CD2 4.32Å; I785-L788 HydrophobicContact CB-CB 4.18Å; I785-L788 HydrophobicContact CB-CD1 4.26Å; I785-L788 HydrophobicContact CB-CD2 4.13Å; I785-L788 HydrophobicContact CB-CG 4.4Å; I785-L788 HydrophobicContact CD1-CB 4.11Å; I785-L788 HydrophobicContact CD1-CD2 3.82Å; I785-L788 HydrophobicContact CG1-CB 4.44Å; I785-L788 HydrophobicContact CG2-CD2 4.35Å; I785-L788 WeakPolarHBondContact O-CB 3.28Å; I785-L788 PolarHBondContact O-N 3.48Å; I785-L788 VanDerWaalsContact O-N 3.08Å; L788-N791 PolarHBondContact O-N 3.41Å; L788-L792 WeakPolarHBondContact O-CB 3.32Å; L788-L792 PolarHBondContact O-N 3.08Å
789	M	98.3	Very high	97	Very high	49 Å²	49	42.8 Å²	42.8	24%	0.241	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-40.5	178.7	-64.2	-54.3	-63.6	0	0	111.6	F776 D780 I785 P786 L792 E793	F776-M789 HydrophobicContact CB-SD 4Å; D780-M789 HydrophobicContact CB-CG 4.06Å; D780-M789 HydrophobicContact CB-SD 4.07Å; I785-M789 HydrophobicContact CD1-SD 4.48Å; I785-M789 HydrophobicContact CG1-CG 4.29Å; I785-M789 PolarHBondContact O-N 3.33Å; I785-M789 VanDerWaalsContact O-N 3.11Å; P786-M789 PolarHBondContact O-N 3.22Å; M789-L792 PolarHBondContact O-N 3.32Å; M789-E793 PolarHBondContact O-N 3.34Å
790	N	98.4	Very high	97	Very high	83 Å²	83	45.3 Å²	45.3	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-43.3	173.9	175.6	74.3	0	0	0	111.7	P786 E787 E793 N794	P786-N790 WeakPolarHBondContact O-CB 3.48Å; P786-N790 PolarHBondContact O-N 2.93Å; E787-N790 PolarHBondContact O-N 3.23Å; N790-E793 PolarHBondContact O-N 2.91Å; N790-N794 PolarHBondContact ND2-ND2 3.34Å; N790-N794 VanDerWaalsContact ND2-ND2 3.12Å; N790-N794 WeakPolarHBondContact O-CB 3.41Å; N790-N794 VanDerWaalsContact O-CG 3.24Å; N790-N794 PolarHBondContact O-N 3.42Å; N790-N794 PolarHBondContact O-ND2 2.65Å; N790-N794 PolarHBondContact OD1-ND2 2.87Å
791	N	98.7	Very high	97	Very high	24 Å²	24	46.9 Å²	46.9	13%	0.128	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-43.1	174.6	-72.2	-14.9	0	0	0	111.7	T717 E787 L788 E793 N794 N795	T717-N791 WeakPolarHBondContact O-CB 3.41Å; T717-N791 PolarHBondContact O-ND2 3.32Å; E787-N791 PolarHBondContact O-N 3.05Å; L788-N791 PolarHBondContact O-N 3.41Å; N791-E793 VanDerWaalsContact C-N 3.34Å; N791-E793 PolarHBondContact O-N 3.44Å; N791-N794 PolarHBondContact O-N 3.44Å; N791-N795 VanDerWaalsContact O-CB 3.26Å; N791-N795 WeakPolarHBondContact O-CB 3.5Å; N791-N795 PolarHBondContact O-N 3.41Å; N791-N795 PolarHBondContact O-ND2 2.93Å
792	L	98.4	Very high	97	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-45.2	177.4	-174.9	58.4	0	0	0	111.7	P716 T717 I768 L772 F776 L788 M789 T796	P716-L792 HydrophobicContact CB-CD1 3.88Å; P716-L792 WeakPolarHBondContact O-CA 3.34Å; T717-L792 HydrophobicContact CG2-CB 4.17Å; T717-L792 HydrophobicContact CG2-CD1 4.22Å; T717-L792 HydrophobicContact CG2-CD2 4.47Å; I768-L792 HydrophobicContact CD1-CD1 4.48Å; I768-L792 HydrophobicContact CG1-CD1 4.26Å; I768-L792 HydrophobicContact CG2-CD1 3.91Å; L772-L792 HydrophobicContact CD2-CD1 4.38Å; F776-L792 HydrophobicContact CB-CD2 4.26Å; L788-L792 WeakPolarHBondContact O-CB 3.32Å; L788-L792 PolarHBondContact O-N 3.08Å; M789-L792 PolarHBondContact O-N 3.32Å; L792-T796 VanDerWaalsContact O-CB 3.28Å; L792-T796 WeakPolarHBondContact O-CB 3.27Å; L792-T796 PolarHBondContact O-N 3.43Å; L792-T796 PolarHBondContact O-OG1 3Å
793	E	97.9	Very high	96.8	Very high	132 Å²	132	46 Å²	46	62%	0.617	26%	0.261	S	S	*	.	H	α-helix	trans	-65.5	-46.1	177.3	-176.2	173.2	-166.7	0	0	112.2	M789 N790 N791 T796 T797	M789-E793 PolarHBondContact O-N 3.34Å; N790-E793 PolarHBondContact O-N 2.91Å; N791-E793 VanDerWaalsContact C-N 3.34Å; N791-E793 PolarHBondContact O-N 3.44Å; E793-T796 WeakPolarHBondContact O-CB 3.32Å; E793-T796 PolarHBondContact O-N 3.12Å; E793-T797 PolarHBondContact O-N 2.79Å; E793-T797 PolarHBondContact O-OG1 3.47Å
794	N	98.3	Very high	96.3	Very high	82 Å²	82	50.7 Å²	50.7	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-43.8	178.4	-72.9	-39.7	0	0	0	111.9	N790 N791 T797 Y798	N790-N794 PolarHBondContact ND2-ND2 3.34Å; N790-N794 VanDerWaalsContact ND2-ND2 3.12Å; N790-N794 WeakPolarHBondContact O-CB 3.41Å; N790-N794 VanDerWaalsContact O-CG 3.24Å; N790-N794 PolarHBondContact O-N 3.42Å; N790-N794 PolarHBondContact O-ND2 2.65Å; N790-N794 PolarHBondContact OD1-ND2 2.87Å; N791-N794 PolarHBondContact O-N 3.44Å; N794-T797 PolarHBondContact O-N 3.01Å; N794-Y798 PolarHBondContact O-N 3.23Å
795	N	98.4	Very high	95.7	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-68.4	-39.1	177.5	-67.7	-20.2	0	0	0	111.2	P716 R718 L720 N791 T797 Y798 W799	P716-N795 PolarHBondContact O-ND2 2.83Å; R718-N795 PolarHBondContact O-ND2 3.32Å; L720-N795 WeakPolarHBondContact CA-OD1 3.18Å; L720-N795 WeakPolarHBondContact CB-OD1 3.17Å; L720-N795 WeakPolarHBondContact CD1-OD1 3.39Å; N791-N795 VanDerWaalsContact O-CB 3.26Å; N791-N795 WeakPolarHBondContact O-CB 3.5Å; N791-N795 PolarHBondContact O-N 3.41Å; N791-N795 PolarHBondContact O-ND2 2.93Å; N795-T797 VanDerWaalsContact C-N 3.32Å; N795-T797 PolarHBondContact O-N 3.34Å; N795-Y798 WeakPolarHBondContact O-CB 3.47Å; N795-Y798 PolarHBondContact O-N 3.31Å; N795-W799 PolarHBondContact O-N 3.34Å
796	T	97.4	Very high	94.9	Very high	22 Å²	22	53.7 Å²	53.7	14%	0.135	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-46.5	171.9	-59.5	0	0	0	0	110.6	L765 L792 E793 Y798 W799 A800	L765-T796 HydrophobicContact CD2-CG2 3.7Å; L765-T796 WeakPolarHBondContact CD2-O 3.23Å; L792-T796 VanDerWaalsContact O-CB 3.28Å; L792-T796 WeakPolarHBondContact O-CB 3.27Å; L792-T796 PolarHBondContact O-N 3.43Å; L792-T796 PolarHBondContact O-OG1 3Å; E793-T796 WeakPolarHBondContact O-CB 3.32Å; E793-T796 PolarHBondContact O-N 3.12Å; T796-Y798 VanDerWaalsContact C-N 3.34Å; T796-Y798 PolarHBondContact O-N 3.13Å; T796-W799 PolarHBondContact O-N 3.3Å; T796-A800 WeakPolarHBondContact O-CB 3.38Å; T796-A800 PolarHBondContact O-N 3.08Å
797	T	97.7	Very high	93.9	Very high	88 Å²	88	54.7 Å²	54.7	54%	0.54	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-41.9	177	-58.2	0	0	0	0	111.6	E793 N794 N795 A800 S801	E793-T797 PolarHBondContact O-N 2.79Å; E793-T797 PolarHBondContact O-OG1 3.47Å; N794-T797 PolarHBondContact O-N 3.01Å; N795-T797 VanDerWaalsContact C-N 3.32Å; N795-T797 PolarHBondContact O-N 3.34Å; T797-A800 PolarHBondContact O-N 3.23Å; T797-S801 PolarHBondContact O-N 3.31Å
798	Y	97.7	Very high	92.7	Very high	49 Å²	49	58 Å²	58	19%	0.192	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-54.8	174.6	175.1	-95.4	0	0	0	111.4	L720 K724 N794 N795 T796 A800 S801 N802	L720-Y798 HydrophobicContact CD1-CD1 3.57Å; L720-Y798 HydrophobicContact CD1-CD2 4.08Å; L720-Y798 HydrophobicContact CD1-CE1 4.02Å; L720-Y798 HydrophobicContact CD1-CE2 4.49Å; L720-Y798 HydrophobicContact CD1-CG 3.59Å; L720-Y798 HydrophobicContact CD2-CD2 3.71Å; L720-Y798 HydrophobicContact CD2-CE2 4.04Å; L720-Y798 HydrophobicContact CD2-CG 4.06Å; L720-Y798 HydrophobicContact CG-CG 4.48Å; K724-Y798 HydrophobicContact CD-CE1 3.86Å; K724-Y798 WeakPolarHBondContact CE-OH 3.32Å; K724-Y798 HydrophobicContact CG-CE1 4Å; K724-Y798 PolarHBondContact NZ-OH 3.19Å; K724-Y798 VanDerWaalsContact NZ-OH 3.13Å; N794-Y798 PolarHBondContact O-N 3.23Å; N795-Y798 WeakPolarHBondContact O-CB 3.47Å; N795-Y798 PolarHBondContact O-N 3.31Å; T796-Y798 VanDerWaalsContact C-N 3.34Å; T796-Y798 PolarHBondContact O-N 3.13Å; Y798-A800 VanDerWaalsContact C-N 3.34Å; Y798-A800 PolarHBondContact O-N 2.93Å; Y798-S801 PolarHBondContact O-N 2.95Å; Y798-S801 PolarHBondContact O-OG 2.78Å; Y798-N802 WeakPolarHBondContact CD2-ND2 3.44Å; Y798-N802 WeakPolarHBondContact CE1-ND2 3.42Å; Y798-N802 WeakPolarHBondContact CE2-ND2 3.45Å; Y798-N802 PolarHBondContact O-N 2.82Å; Y798-N802 PolarHBondContact O-ND2 3.37Å
799	W	97.1	Very high	91	Very high	9 Å²	9	64 Å²	64	3%	0.034	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-43.8	-178.8	-63.8	126.6	0	0	0	111.8	K724 A727 I760 Q764 L765 N795 T796 S801 N802 I803	K724-W799 HydrophobicContact CB-CH2 4.43Å; K724-W799 HydrophobicContact CG-CH2 3.83Å; K724-W799 HydrophobicContact CG-CZ2 4.1Å; A727-W799 HydrophobicContact CB-CH2 3.78Å; A727-W799 HydrophobicContact CB-CZ2 3.77Å; I760-W799 HydrophobicContact CG2-CZ3 4.49Å; Q764-W799 HydrophobicContact CB-CD2 3.86Å; Q764-W799 HydrophobicContact CB-CG 3.86Å; Q764-W799 HydrophobicContact CB-CZ2 4.45Å; Q764-W799 HydrophobicContact CG-CD2 4.08Å; Q764-W799 HydrophobicContact CG-CE3 4.4Å; Q764-W799 HydrophobicContact CG-CH2 4.24Å; Q764-W799 HydrophobicContact CG-CZ2 3.92Å; Q764-W799 HydrophobicContact CG-CZ3 4.47Å; L765-W799 HydrophobicContact CD1-CB 4.42Å; L765-W799 HydrophobicContact CD2-CB 3.77Å; L765-W799 HydrophobicContact CG-CB 3.75Å; N795-W799 PolarHBondContact O-N 3.34Å; T796-W799 PolarHBondContact O-N 3.3Å; W799-S801 VanDerWaalsContact C-N 3.29Å; W799-S801 PolarHBondContact O-N 3.03Å; W799-N802 PolarHBondContact O-N 2.64Å; W799-I803 PolarHBondContact O-N 2.9Å
800	A	94.5	Very high	89.1	Confident	52 Å²	52	66.1 Å²	66.1	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-55.5	-42.5	175.7	0	0	0	0	0	112.8	L765 T796 T797 Y798 N802	L765-A800 HydrophobicContact CD1-CB 3.92Å; T796-A800 WeakPolarHBondContact O-CB 3.38Å; T796-A800 PolarHBondContact O-N 3.08Å; T797-A800 PolarHBondContact O-N 3.23Å; Y798-A800 VanDerWaalsContact C-N 3.34Å; Y798-A800 PolarHBondContact O-N 2.93Å; A800-N802 PolarHBondContact O-N 3.31Å
801	S	95.2	Very high	86.8	Confident	80 Å²	80	65 Å²	65	56%	0.559	34%	0.341	S	S	*	.	H	α-helix	trans	-69.1	-18.9	179.4	75	0	0	0	0	114.4	T797 Y798 W799	T797-S801 PolarHBondContact O-N 3.31Å; Y798-S801 PolarHBondContact O-N 2.95Å; Y798-S801 PolarHBondContact O-OG 2.78Å; W799-S801 VanDerWaalsContact C-N 3.29Å; W799-S801 PolarHBondContact O-N 3.03Å
802	N	93.7	Very high	83.9	Confident	8 Å²	8	69 Å²	69	4%	0.043	37%	0.367	C	S	.	.	H	α-helix	trans	-104.4	-12	-171.5	-69.8	-55.6	0	0	0	114.4	S761 Y798 W799 A800 D804 R805 E806	S761-N802 WeakPolarHBondContact OG-CB 3.4Å; Y798-N802 WeakPolarHBondContact CD2-ND2 3.44Å; Y798-N802 WeakPolarHBondContact CE1-ND2 3.42Å; Y798-N802 WeakPolarHBondContact CE2-ND2 3.45Å; Y798-N802 PolarHBondContact O-N 2.82Å; Y798-N802 PolarHBondContact O-ND2 3.37Å; W799-N802 PolarHBondContact O-N 2.64Å; A800-N802 PolarHBondContact O-N 3.31Å; N802-D804 VanDerWaalsContact C-N 3.34Å; N802-D804 PolarHBondContact O-N 3.1Å; N802-R805 VanDerWaalsContact CG-NH2 3.26Å; N802-R805 WeakPolarHBondContact O-CB 3.37Å; N802-R805 PolarHBondContact O-N 2.75Å; N802-R805 VanDerWaalsContact O-N 3.1Å; N802-R805 PolarHBondContact OD1-NH1 3.41Å; N802-R805 PolarHBondContact OD1-NH2 3.34Å; N802-E806 PolarHBondContact O-N 3.22Å
803	I	88.8	Confident	80.6	Confident	18 Å²	18	73.6 Å²	73.6	9%	0.092	40%	0.398	C	S	.	.	H	α-helix	trans	-50.1	-53.1	177.5	-70.9	166.6	0	0	0	111.4	N759 Q762 L765 W799 R805 E806 K807	N759-I803 PolarHBondContact ND2-O 3.39Å; N759-I803 VanDerWaalsContact ND2-O 3.12Å; Q762-I803 HydrophobicContact CB-CG1 4.3Å; L765-I803 HydrophobicContact CD1-CD1 3.3Å; L765-I803 HydrophobicContact CD1-CG1 4.17Å; W799-I803 PolarHBondContact O-N 2.9Å; I803-R805 VanDerWaalsContact C-N 3.29Å; I803-R805 PolarHBondContact O-N 2.71Å; I803-E806 PolarHBondContact O-N 2.89Å; I803-K807 HydrophobicContact CG2-CD 4.2Å; I803-K807 VanDerWaalsContact CG2-CE 3.43Å; I803-K807 WeakPolarHBondContact O-CG 3.35Å; I803-K807 PolarHBondContact O-N 2.97Å
804	D	85.4	Confident	77.5	Confident	99 Å²	99	73 Å²	73	53%	0.529	41%	0.406	S	S	.	.	H	α-helix	trans	-72.4	-24.9	-175.1	-70.3	-22.2	0	0	0	112.6	N802 K807 K808	N802-D804 VanDerWaalsContact C-N 3.34Å; N802-D804 PolarHBondContact O-N 3.1Å; D804-K807 IonicContact OD1-NZ 2.73Å; D804-K807 PolarHBondContact OD1-NZ 3.18Å; D804-K808 WeakPolarHBondContact O-CG 3.33Å; D804-K808 PolarHBondContact O-N 3.22Å
805	R	83.4	Confident	74.4	Confident	120 Å²	120	74.2 Å²	74.2	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-68.4	-44.2	173.3	-170.9	-178.2	69.5	-148.3	-8.2	110.6	N802 I803 K808 Q809	N802-R805 VanDerWaalsContact CG-NH2 3.26Å; N802-R805 WeakPolarHBondContact O-CB 3.37Å; N802-R805 PolarHBondContact O-N 2.75Å; N802-R805 VanDerWaalsContact O-N 3.1Å; N802-R805 PolarHBondContact OD1-NH1 3.41Å; N802-R805 PolarHBondContact OD1-NH2 3.34Å; I803-R805 VanDerWaalsContact C-N 3.29Å; I803-R805 PolarHBondContact O-N 2.71Å; R805-K808 PolarHBondContact O-N 3.18Å; R805-Q809 PolarHBondContact O-N 3.41Å
806	E	80	Confident	71.1	Confident	26 Å²	26	81.6 Å²	81.6	12%	0.121	45%	0.45	C	S	.	.	H	α-helix	trans	-66.8	-41.3	176.6	-73.6	175.8	-157.6	0	0	111.4	N759 I760 S761 N802 I803 K808 Q809 H810	N759-E806 PolarHBondContact OD1-OE2 3.32Å; I760-E806 PolarHBondContact N-OE2 2.94Å; S761-E806 PolarHBondContact N-OE2 3.26Å; S761-E806 VanDerWaalsContact OG-CD 3.22Å; S761-E806 PolarHBondContact OG-OE1 3.44Å; S761-E806 PolarHBondContact OG-OE2 3.12Å; N802-E806 PolarHBondContact O-N 3.22Å; I803-E806 PolarHBondContact O-N 2.89Å; E806-K808 VanDerWaalsContact C-N 3.25Å; E806-K808 PolarHBondContact O-N 3.45Å; E806-Q809 PolarHBondContact O-N 3.29Å; E806-Q809 VanDerWaalsContact O-N 3.08Å; E806-H810 PolarHBondContact O-CD2 3.04Å; E806-H810 VanDerWaalsContact O-CD2 3.23Å; E806-H810 PolarHBondContact O-N 3.3Å
807	K	76.7	Confident	68	Low	115 Å²	115	88.2 Å²	88.2	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-54.6	-40.5	173.1	-73.2	176.8	-172.4	159.4	0	112.8	I803 D804 G811	I803-K807 HydrophobicContact CG2-CD 4.2Å; I803-K807 VanDerWaalsContact CG2-CE 3.43Å; I803-K807 WeakPolarHBondContact O-CG 3.35Å; I803-K807 PolarHBondContact O-N 2.97Å; D804-K807 IonicContact OD1-NZ 2.73Å; D804-K807 PolarHBondContact OD1-NZ 3.18Å; K807-G811 PolarHBondContact O-N 3.49Å
808	K	71.3	Confident	64.8	Low	151 Å²	151	92 Å²	92	66%	0.657	49%	0.493	S	S	*	.	H	α-helix	trans	-69.2	-32.6	179.1	-73.5	173.2	-175.5	177.1	0	113.1	D804 R805 E806 G811 T812	D804-K808 WeakPolarHBondContact O-CG 3.33Å; D804-K808 PolarHBondContact O-N 3.22Å; R805-K808 PolarHBondContact O-N 3.18Å; E806-K808 VanDerWaalsContact C-N 3.25Å; E806-K808 PolarHBondContact O-N 3.45Å; K808-G811 PolarHBondContact O-N 3Å; K808-T812 PolarHBondContact O-N 2.96Å; K808-T812 PolarHBondContact O-OG1 2.97Å
809	Q	63.7	Low	61.9	Low	126 Å²	126	95.2 Å²	95.2	59%	0.589	52%	0.52	S	S	*	.	H	α-helix	trans	-68	-37.8	178.8	-71.4	178.6	-4.6	0	0	112.2	R805 E806	R805-Q809 PolarHBondContact O-N 3.41Å; E806-Q809 PolarHBondContact O-N 3.29Å; E806-Q809 VanDerWaalsContact O-N 3.08Å
810	H	59	Low	59	Low	94 Å²	94	101.1 Å²	101.1	44%	0.435	56%	0.557	S	S	.	*	H	α-helix	trans	-75.9	-24.7	173.5	-63.1	-76.5	0	0	0	113	Q756 E806	Q756-H810 PolarHBondContact O-CE1 3.05Å; Q756-H810 PolarHBondContact O-ND1 3.29Å; E806-H810 PolarHBondContact O-CD2 3.04Å; E806-H810 VanDerWaalsContact O-CD2 3.23Å; E806-H810 PolarHBondContact O-N 3.3Å
811	G	49.5	Very low	56.2	Low	60 Å²	60	103.7 Å²	103.7	62%	0.619	57%	0.567	S	S	*	*	H	α-helix	trans	-77.8	-14.5	179.9	0	0	0	0	0	115.7	K807 K808	K807-G811 PolarHBondContact O-N 3.49Å; K808-G811 PolarHBondContact O-N 3Å
812	T	37.1	Very low	53.5	Low	107 Å²	107	107 Å²	107	66%	0.656	58%	0.577	S	S	*	*			trans	-102.6	70.2	-179	54.9	0	0	0	0	112.7	K808	K808-T812 PolarHBondContact O-N 2.96Å; K808-T812 PolarHBondContact O-OG1 2.97Å
813	C	29.8	Very low	50.7	Low	103 Å²	103	114.4 Å²	114.4	70%	0.696	61%	0.611	S	S	*	*			trans	-159.1	83.6	149.1	-129.9	0	0	0	0	112.1	V815	C813-V815 PolarHBondContact O-N 2.92Å
814	P	32.6	Very low	47.9	Very low	121 Å²	121	122.4 Å²	122.4	79%	0.786	65%	0.648	S	S	*	*			trans	-79.5	81.3	151.4	32.2	-24.5	0	0	0	106.8	E816	P814-E816 PolarHBondContact O-N 3.23Å
815	V	33.6	Very low	45.6	Very low	107 Å²	107	130.2 Å²	130.2	65%	0.648	68%	0.682	S	S	*	*			trans	-70.2	95.2	152	179.7	0	0	0	0	104.1	C813 L817	C813-V815 PolarHBondContact O-N 2.92Å; V815-L817 PolarHBondContact O-N 3.48Å
816	E	28.7	Very low	43.7	Very low	159 Å²	159	130.8 Å²	130.8	74%	0.743	69%	0.693	S	S	*	*			trans	-48.1	102.5	156.6	-85.6	-177.4	153.7	0	0	106.4	P814 K818	P814-E816 PolarHBondContact O-N 3.23Å; E816-K818 PolarHBondContact O-N 2.84Å
817	L	33.2	Very low	41.8	Very low	161 Å²	161	136.3 Å²	136.3	84%	0.843	72%	0.723	S	S	*	*			trans	-60.6	88.1	157.1	-76.8	161	0	0	0	105.1	V815 P819	V815-L817 PolarHBondContact O-N 3.48Å; L817-P819 VanDerWaalsContact O-N 3.16Å
818	K	30.5	Very low	39.9	Very low	167 Å²	167	137.4 Å²	137.4	73%	0.726	74%	0.736	S	S	*	*			trans	-52.9	123.6	164.3	-82.1	-174.6	176.1	178.9	0	105.7	E816 T820	E816-K818 PolarHBondContact O-N 2.84Å; K818-T820 PolarHBondContact O-N 3Å
819	P	36.6	Very low	38	Very low	117 Å²	117	136.6 Å²	136.6	76%	0.76	74%	0.74	S	S	*	*			trans	-61	113.4	-177.4	24.1	-31.5	0	0	0	107.3	L817 T821	L817-P819 VanDerWaalsContact O-N 3.16Å; P819-T821 PolarHBondContact O-N 3.47Å
820	T	34.9	Very low	36.4	Very low	132 Å²	132	137.3 Å²	137.3	81%	0.81	75%	0.75	S	S	*	*			trans	-64.5	102.6	170.7	-39.4	0	0	0	0	106.3	K818 I822	K818-T820 PolarHBondContact O-N 3Å; T820-I822 PolarHBondContact O-N 3.4Å
821	T	36.4	Very low	34.9	Very low	106 Å²	106	140.2 Å²	140.2	65%	0.65	77%	0.771	S	S	*	*			trans	-56.4	106.2	170.9	-42.7	0	0	0	0	107.6	P819 H823	P819-T821 PolarHBondContact O-N 3.47Å; T821-H823 PolarHBondContact O-N 3.3Å
822	I	37.9	Very low	33.9	Very low	150 Å²	150	145.9 Å²	145.9	77%	0.769	78%	0.782	S	S	*	*			trans	-69.9	100.7	167.8	-61.6	173.4	0	0	0	105.2	T820 Q824	T820-I822 PolarHBondContact O-N 3.4Å; I822-Q824 PolarHBondContact O-N 3.34Å; I822-Q824 VanDerWaalsContact O-N 3.12Å
823	H	35.4	Very low	33.6	Very low	163 Å²	163	148.9 Å²	148.9	76%	0.755	79%	0.791	S	S	*	*			trans	-65.2	108.9	165.8	-84.1	-78.1	0	0	0	107.8	T821 E825	T821-H823 PolarHBondContact O-N 3.3Å; H823-E825 PolarHBondContact O-N 2.71Å
824	Q	30.4	Very low	33.9	Very low	186 Å²	186	152.8 Å²	152.8	87%	0.869	80%	0.799	S	S	*	*			trans	-77	96.7	158.9	-77.8	-178	-30.8	0	0	108	I822	I822-Q824 PolarHBondContact O-N 3.34Å; I822-Q824 VanDerWaalsContact O-N 3.12Å
825	E	36.9	Very low	34	Very low	264 Å²	264	155.6 Å²	155.6	100%	1.234	80%	0.801	S	S	*	*			trans	-139.7	0	141.3	-80.7	-171.1	163.4	0	0	106.3	H823	H823-E825 PolarHBondContact O-N 2.71Å

Retrieved 825 of 825 residues in 299.3 ms (Link to these results)

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