A0A3Q0KHC2_SCHMA Loading...

Putative regulator of G protein signaling

AlphaFold DB , UniProt , Accession A0A3Q0KHC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 588 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26	Very low	29.5	Very low	223 Å²	223	137.7 Å²	137.7	100%	1.099	71%	0.705	S	S	*	*				0	42.5	0	-106.2	-86.7	165.9	0	0	111.9
2	L	26	Very low	31.1	Very low	181 Å²	181	131.8 Å²	131.8	95%	0.948	68%	0.676	S	S	*	*			trans	-117	80.7	167.1	-77.7	168.4	0	0	0	107.1	S4	L2-S4 PolarHBondContact O-N 3.18Å
3	H	25.6	Very low	32.9	Very low	159 Å²	159	133 Å²	133	74%	0.736	67%	0.667	S	S	*	*			trans	-62	119.4	171.5	-105.7	-61	0	0	0	109.1	E5	H3-E5 PolarHBondContact O-N 3.43Å; H3-E5 VanDerWaalsContact O-N 3.11Å
4	S	23.8	Very low	34.2	Very low	94 Å²	94	129.6 Å²	129.6	66%	0.657	65%	0.651	S	S	*	*			trans	3.4	90.1	140.3	56.2	0	0	0	0	117.3	L2 S6	L2-S4 PolarHBondContact O-N 3.18Å; S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 2.82Å; S4-S6 VanDerWaalsContact O-N 3.16Å
5	E	26.8	Very low	35.4	Very low	167 Å²	167	125.9 Å²	125.9	78%	0.78	63%	0.634	S	S	*	*			trans	-80.1	87	151.4	-82.4	-173.6	174.8	0	0	108.2	H3 K7	H3-E5 PolarHBondContact O-N 3.43Å; H3-E5 VanDerWaalsContact O-N 3.11Å; E5-K7 VanDerWaalsContact C-N 3.3Å; E5-K7 PolarHBondContact O-N 2.83Å
6	S	27.3	Very low	36.5	Very low	92 Å²	92	123 Å²	123	64%	0.643	63%	0.625	S	S	*	*			trans	-64.3	92.5	164.1	54.6	0	0	0	0	108.7	S4 T8	S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 2.82Å; S4-S6 VanDerWaalsContact O-N 3.16Å; S6-T8 PolarHBondContact O-N 3.01Å
7	K	27.5	Very low	37.8	Very low	164 Å²	164	124.5 Å²	124.5	71%	0.713	62%	0.622	S	S	*	*			trans	-68.3	82.6	171	-67.5	179.7	179.7	179.6	0	109.4	E5 F9	E5-K7 VanDerWaalsContact C-N 3.3Å; E5-K7 PolarHBondContact O-N 2.83Å; K7-F9 PolarHBondContact O-N 2.81Å
8	T	28	Very low	38.6	Very low	83 Å²	83	122 Å²	122	51%	0.509	61%	0.611	S	S	.	*			trans	-78.4	100.7	174	38.9	0	0	0	0	109	S6 E10	S6-T8 PolarHBondContact O-N 3.01Å; T8-E10 PolarHBondContact O-N 3.03Å; T8-E10 VanDerWaalsContact O-N 3.14Å
9	F	31.6	Very low	39.4	Very low	113 Å²	113	118.6 Å²	118.6	50%	0.496	60%	0.6	S	S	.	*			trans	-70.9	95.2	165.1	-81.4	-111.5	0	0	0	107.9	K7 Y34	K7-F9 PolarHBondContact O-N 2.81Å; F9-Y34 AromaticContact CD1-CE1 3.62Å; F9-Y34 HydrophobicContact CD1-CE1 3.62Å; F9-Y34 AromaticContact CD1-CZ 3.97Å; F9-Y34 HydrophobicContact CD2-CE1 4.11Å; F9-Y34 AromaticContact CE1-CE1 3.36Å; F9-Y34 HydrophobicContact CE1-CE1 3.36Å; F9-Y34 AromaticContact CE1-CZ 3.42Å; F9-Y34 VanDerWaalsContact CE1-CZ 3.42Å; F9-Y34 WeakPolarHBondContact CE1-OH 3.15Å; F9-Y34 AromaticContact CE2-CE1 3.82Å; F9-Y34 HydrophobicContact CE2-CE1 3.82Å; F9-Y34 HydrophobicContact CG-CE1 4.02Å; F9-Y34 AromaticContact CZ-CE1 3.44Å; F9-Y34 HydrophobicContact CZ-CE1 3.44Å; F9-Y34 VanDerWaalsContact CZ-CE1 3.44Å; F9-Y34 AromaticContact CZ-CZ 3.75Å; F9-Y34 WeakPolarHBondContact CZ-OH 3.04Å
10	E	37.6	Very low	40	Very low	147 Å²	147	115.8 Å²	115.8	69%	0.687	59%	0.586	S	S	*	*			trans	-89.6	-21	-173.6	-97.8	-175.7	167	0	0	115.2	T8	T8-E10 PolarHBondContact O-N 3.03Å; T8-E10 VanDerWaalsContact O-N 3.14Å
11	N	44.3	Very low	40.3	Very low	92 Å²	92	114.4 Å²	114.4	49%	0.492	59%	0.585	S	S	.	*			trans	-154.6	85.8	-176.8	-76.9	-60.6	0	0	0	114.2	R13	N11-R13 PolarHBondContact O-N 2.78Å
12	D	48.7	Very low	41.2	Very low	66 Å²	66	108.1 Å²	108.1	35%	0.353	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.8	104.7	160.8	-83.7	-6.1	0	0	0	108.7	Y30 S32 K47	D12-Y30 HydrophobicContact CB-CD1 4.04Å; D12-S32 VanDerWaalsContact OD1-CB 3.28Å; D12-S32 WeakPolarHBondContact OD1-CB 3.48Å; D12-K47 IonicContact OD2-NZ 3.92Å
13	R	54.8	Low	42.2	Very low	148 Å²	148	104.7 Å²	104.7	56%	0.558	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	118.1	173	-69.4	-171.5	-178.9	-179.3	3.3	109.8	N11 L15 Y30 K31	N11-R13 PolarHBondContact O-N 2.78Å; R13-L15 PolarHBondContact O-N 3.44Å; R13-Y30 WeakPolarHBondContact O-CA 3.4Å; R13-K31 PolarHBondContact N-O 2.87Å; R13-K31 PolarHBondContact O-N 3.43Å
14	L	51.3	Low	43.4	Very low	85 Å²	85	104.4 Å²	104.4	45%	0.445	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	116.5	171.6	-178.4	68.1	0	0	0	109	T16 F28 Y30	L14-T16 WeakPolarHBondContact CD1-O 3.48Å; L14-F28 HydrophobicContact CD1-CB 3.88Å; L14-F28 HydrophobicContact CD1-CD1 3.86Å; L14-F28 HydrophobicContact CD1-CG 4.37Å; L14-Y30 HydrophobicContact CB-CD1 4.11Å; L14-Y30 HydrophobicContact CB-CE1 3.81Å; L14-Y30 HydrophobicContact CD1-CD1 4.24Å; L14-Y30 HydrophobicContact CD1-CE1 3.79Å; L14-Y30 HydrophobicContact CD1-CE2 4.32Å; L14-Y30 HydrophobicContact CG-CE1 4.39Å
15	L	51.1	Low	44.6	Very low	74 Å²	74	101.9 Å²	101.9	39%	0.387	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-48.9	175.4	-73.2	161.4	0	0	0	110.5	R13 L29 K31 I44 L342	R13-L15 PolarHBondContact O-N 3.44Å; L15-L29 HydrophobicContact CB-CB 4.43Å; L15-L29 HydrophobicContact CB-CD2 4.13Å; L15-L29 HydrophobicContact CB-CG 4.35Å; L15-L29 WeakPolarHBondContact CB-O 3.39Å; L15-L29 HydrophobicContact CD1-CD2 3.95Å; L15-L29 HydrophobicContact CD1-CG 4.05Å; L15-L29 PolarHBondContact N-O 3.37Å; L15-K31 HydrophobicContact CD1-CB 3.85Å; L15-K31 HydrophobicContact CD2-CB 4.39Å; L15-K31 HydrophobicContact CG-CB 4.02Å; L15-I44 HydrophobicContact CD1-CG1 4.47Å; L15-I44 HydrophobicContact CD1-CG2 4.39Å; L15-L342 HydrophobicContact CD1-CD2 4.25Å; L15-L342 HydrophobicContact CD2-CD2 4.31Å
16	T	53.3	Low	45.9	Very low	80 Å²	80	95.5 Å²	95.5	49%	0.491	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	168.8	179.9	-165.1	0	0	0	0	110.2	L14 L29	L14-T16 WeakPolarHBondContact CD1-O 3.48Å; T16-L29 HydrophobicContact CG2-CB 3.98Å; T16-L29 HydrophobicContact CG2-CD2 4.06Å; T16-L29 PolarHBondContact O-N 2.82Å
17	Y	58.8	Low	47.3	Very low	148 Å²	148	95.5 Å²	95.5	58%	0.58	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	146.8	171.2	68.8	-85.8	0	0	0	110.5	T26 Y27	Y17-T26 HydrophobicContact CD2-CG2 4.08Å; Y17-Y27 CarbonylContact C-O 3.57Å; Y17-Y27 VanDerWaalsContact CA-O 3.25Å; Y17-Y27 WeakPolarHBondContact CA-O 3.5Å
18	L	51.5	Low	49	Very low	80 Å²	80	89.3 Å²	89.3	42%	0.419	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	108	171.4	179.2	66.9	0	0	0	107.7	L20 Y27 I353	L18-L20 HydrophobicContact CD2-CD1 4.4Å; L18-L20 HydrophobicContact CD2-CD2 4.36Å; L18-L20 HydrophobicContact CD2-CG 4.35Å; L18-L20 HydrophobicContact CG-CD2 4.38Å; L18-L20 HydrophobicContact CG-CG 4.24Å; L18-Y27 PolarHBondContact N-O 2.95Å; L18-Y27 PolarHBondContact O-N 3.11Å; L18-I353 HydrophobicContact CD2-CD1 4.44Å
19	S	55.3	Low	50.3	Low	57 Å²	57	87.6 Å²	87.6	40%	0.399	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.5	170	-163	0	0	0	0	109.1	P21 T26	S19-P21 WeakPolarHBondContact O-CD 3.27Å; S19-T26 PolarHBondContact OG-OG1 3.07Å
20	L	51	Low	51.5	Low	62 Å²	62	83.7 Å²	83.7	33%	0.325	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	90	172.3	-67.8	167.6	0	0	0	107.4	L18 N22 L23 N24 V25 Y27	L18-L20 HydrophobicContact CD2-CD1 4.4Å; L18-L20 HydrophobicContact CD2-CD2 4.36Å; L18-L20 HydrophobicContact CD2-CG 4.35Å; L18-L20 HydrophobicContact CG-CD2 4.38Å; L18-L20 HydrophobicContact CG-CG 4.24Å; L20-N22 PolarHBondContact O-N 3.37Å; L20-N22 VanDerWaalsContact O-N 3.14Å; L20-L23 HydrophobicContact CB-CB 4.33Å; L20-L23 HydrophobicContact CB-CD1 4.39Å; L20-L23 HydrophobicContact CD1-CD1 4.01Å; L20-L23 PolarHBondContact O-N 2.9Å; L20-N24 PolarHBondContact O-N 3.44Å; L20-N24 VanDerWaalsContact O-N 3.12Å; L20-V25 PolarHBondContact N-O 3.26Å; L20-V25 PolarHBondContact O-N 3.41Å; L20-Y27 HydrophobicContact CD1-CD2 3.97Å; L20-Y27 HydrophobicContact CD1-CE2 3.75Å
21	P	45.7	Very low	52.1	Low	88 Å²	88	79 Å²	79	57%	0.571	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-55.2	-37.1	-173.7	-23.3	32.2	0	0	0	112.3	S19 L23 N24	S19-P21 WeakPolarHBondContact O-CD 3.27Å; P21-L23 VanDerWaalsContact C-N 3.28Å; P21-L23 PolarHBondContact O-N 3.32Å; P21-N24 PolarHBondContact O-N 3.37Å
22	N	45.1	Very low	52.6	Low	91 Å²	91	74.8 Å²	74.8	49%	0.487	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-68.2	-26.6	-176.7	-55.9	0.7	0	0	0	113.2	L20 I372	L20-N22 PolarHBondContact O-N 3.37Å; L20-N22 VanDerWaalsContact O-N 3.14Å; N22-I372 WeakPolarHBondContact OD1-CG2 3.27Å
23	L	46.5	Very low	52.6	Low	108 Å²	108	74.8 Å²	74.8	57%	0.565	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-96	-8.3	175.1	-65.4	174.2	0	0	0	111.5	L20 P21 V25	L20-L23 HydrophobicContact CB-CB 4.33Å; L20-L23 HydrophobicContact CB-CD1 4.39Å; L20-L23 HydrophobicContact CD1-CD1 4.01Å; L20-L23 PolarHBondContact O-N 2.9Å; P21-L23 VanDerWaalsContact C-N 3.28Å; P21-L23 PolarHBondContact O-N 3.32Å; L23-V25 HydrophobicContact CB-CB 4.32Å; L23-V25 HydrophobicContact CB-CG2 4.27Å; L23-V25 WeakPolarHBondContact O-CG2 3.4Å; L23-V25 PolarHBondContact O-N 3.22Å
24	N	51.3	Low	52.3	Low	154 Å²	154	70.8 Å²	70.8	82%	0.824	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	35.3	-168.9	-153.4	13.6	0	0	0	112.4	L20 P21	L20-N24 PolarHBondContact O-N 3.44Å; L20-N24 VanDerWaalsContact O-N 3.12Å; P21-N24 PolarHBondContact O-N 3.37Å
25	V	48.8	Very low	51.9	Low	40 Å²	40	71.5 Å²	71.5	24%	0.242	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.1	177.9	179.1	0	0	0	0	108.3	L20 L23 Y27 T48	L20-V25 PolarHBondContact N-O 3.26Å; L20-V25 PolarHBondContact O-N 3.41Å; L23-V25 HydrophobicContact CB-CB 4.32Å; L23-V25 HydrophobicContact CB-CG2 4.27Å; L23-V25 WeakPolarHBondContact O-CG2 3.4Å; L23-V25 PolarHBondContact O-N 3.22Å; V25-Y27 HydrophobicContact CB-CE2 4.23Å; V25-Y27 HydrophobicContact CG1-CD1 4.47Å; V25-Y27 HydrophobicContact CG1-CD2 3.96Å; V25-Y27 HydrophobicContact CG1-CE1 4.14Å; V25-Y27 HydrophobicContact CG1-CE2 3.56Å; V25-Y27 HydrophobicContact CG1-CG 4.4Å; V25-T48 HydrophobicContact CG1-CG2 3.73Å
26	T	54.3	Low	51.7	Low	34 Å²	34	72.1 Å²	72.1	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.2	168.6	-49.6	0	0	0	0	108.4	Y17 S19 F28 T48 Y49	Y17-T26 HydrophobicContact CD2-CG2 4.08Å; S19-T26 PolarHBondContact OG-OG1 3.07Å; T26-F28 HydrophobicContact CG2-CD2 4.3Å; T26-F28 HydrophobicContact CG2-CE1 4.03Å; T26-F28 HydrophobicContact CG2-CE2 3.65Å; T26-F28 HydrophobicContact CG2-CZ 3.49Å; T26-F28 VanDerWaalsContact CG2-CZ 3.49Å; T26-F28 WeakPolarHBondContact O-CD2 3.29Å; T26-T48 WeakPolarHBondContact O-CA 3.47Å; T26-Y49 PolarHBondContact O-N 3.12Å
27	Y	57.8	Low	51.5	Low	92 Å²	92	78.4 Å²	78.4	36%	0.361	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131	173.3	-67.1	-82.7	0	0	0	109	Y17 L18 L20 V25 I46 T48	Y17-Y27 CarbonylContact C-O 3.57Å; Y17-Y27 VanDerWaalsContact CA-O 3.25Å; Y17-Y27 WeakPolarHBondContact CA-O 3.5Å; L18-Y27 PolarHBondContact N-O 2.95Å; L18-Y27 PolarHBondContact O-N 3.11Å; L20-Y27 HydrophobicContact CD1-CD2 3.97Å; L20-Y27 HydrophobicContact CD1-CE2 3.75Å; V25-Y27 HydrophobicContact CB-CE2 4.23Å; V25-Y27 HydrophobicContact CG1-CD1 4.47Å; V25-Y27 HydrophobicContact CG1-CD2 3.96Å; V25-Y27 HydrophobicContact CG1-CE1 4.14Å; V25-Y27 HydrophobicContact CG1-CE2 3.56Å; V25-Y27 HydrophobicContact CG1-CG 4.4Å; Y27-I46 HydrophobicContact CD1-CG2 3.68Å; Y27-I46 HydrophobicContact CG-CG2 4.32Å; Y27-T48 HydrophobicContact CD1-CG2 3.81Å; Y27-T48 HydrophobicContact CE1-CG2 3.65Å
28	F	61.8	Low	51	Low	33 Å²	33	79.5 Å²	79.5	15%	0.145	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.9	178	-62.2	-90.9	0	0	0	108.5	L14 T26 Y30 I46 K47 Y49 L52	L14-F28 HydrophobicContact CD1-CB 3.88Å; L14-F28 HydrophobicContact CD1-CD1 3.86Å; L14-F28 HydrophobicContact CD1-CG 4.37Å; T26-F28 HydrophobicContact CG2-CD2 4.3Å; T26-F28 HydrophobicContact CG2-CE1 4.03Å; T26-F28 HydrophobicContact CG2-CE2 3.65Å; T26-F28 HydrophobicContact CG2-CZ 3.49Å; T26-F28 VanDerWaalsContact CG2-CZ 3.49Å; T26-F28 WeakPolarHBondContact O-CD2 3.29Å; F28-Y30 HydrophobicContact CB-CD2 4Å; F28-Y30 HydrophobicContact CB-CE2 3.23Å; F28-Y30 HydrophobicContact CG-CE2 4.19Å; F28-I46 WeakPolarHBondContact O-CA 3.36Å; F28-K47 PolarHBondContact N-O 3.35Å; F28-K47 PolarHBondContact O-N 3.43Å; F28-Y49 HydrophobicContact CE2-CD2 4.28Å; F28-Y49 HydrophobicContact CZ-CD2 4.45Å; F28-L52 HydrophobicContact CB-CD1 4.19Å; F28-L52 HydrophobicContact CD2-CD1 3.51Å; F28-L52 HydrophobicContact CE2-CD1 4.01Å; F28-L52 HydrophobicContact CG-CD1 3.89Å
29	L	55	Low	50.4	Low	47 Å²	47	81.1 Å²	81.1	25%	0.246	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.6	176.4	-168.6	74.3	0	0	0	108.4	L15 T16 I44 Q45 I46	L15-L29 HydrophobicContact CB-CB 4.43Å; L15-L29 HydrophobicContact CB-CD2 4.13Å; L15-L29 HydrophobicContact CB-CG 4.35Å; L15-L29 WeakPolarHBondContact CB-O 3.39Å; L15-L29 HydrophobicContact CD1-CD2 3.95Å; L15-L29 HydrophobicContact CD1-CG 4.05Å; L15-L29 PolarHBondContact N-O 3.37Å; T16-L29 HydrophobicContact CG2-CB 3.98Å; T16-L29 HydrophobicContact CG2-CD2 4.06Å; T16-L29 PolarHBondContact O-N 2.82Å; L29-I44 HydrophobicContact CD1-CG2 3.37Å; L29-I44 HydrophobicContact CD2-CG2 4.25Å; L29-I44 HydrophobicContact CG-CG2 3.78Å; L29-Q45 WeakPolarHBondContact CA-O 3.38Å; L29-I46 HydrophobicContact CD1-CD1 4.24Å; L29-I46 HydrophobicContact CD1-CG1 3.44Å; L29-I46 VanDerWaalsContact CD1-CG1 3.44Å
30	Y	57.3	Low	49.8	Very low	31 Å²	31	82.2 Å²	82.2	12%	0.122	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.4	176.8	-65.8	-85.9	0	0	0	110.9	D12 R13 L14 F28 I44 Q45 K47 L52	D12-Y30 HydrophobicContact CB-CD1 4.04Å; R13-Y30 WeakPolarHBondContact O-CA 3.4Å; L14-Y30 HydrophobicContact CB-CD1 4.11Å; L14-Y30 HydrophobicContact CB-CE1 3.81Å; L14-Y30 HydrophobicContact CD1-CD1 4.24Å; L14-Y30 HydrophobicContact CD1-CE1 3.79Å; L14-Y30 HydrophobicContact CD1-CE2 4.32Å; L14-Y30 HydrophobicContact CG-CE1 4.39Å; F28-Y30 HydrophobicContact CB-CD2 4Å; F28-Y30 HydrophobicContact CB-CE2 3.23Å; F28-Y30 HydrophobicContact CG-CE2 4.19Å; Y30-I44 CarbonylContact O-C 3.36Å; Y30-I44 WeakPolarHBondContact O-CA 3.42Å; Y30-Q45 PolarHBondContact N-O 3.24Å; Y30-Q45 PolarHBondContact O-N 3.1Å; Y30-K47 HydrophobicContact CD2-CB 4.4Å; Y30-K47 HydrophobicContact CE2-CB 4.35Å; Y30-L52 HydrophobicContact CE2-CD1 3.85Å; Y30-L52 HydrophobicContact CE2-CD2 3.66Å; Y30-L52 HydrophobicContact CE2-CG 4.15Å; Y30-L52 VanDerWaalsContact OH-CD1 3.27Å; Y30-L52 WeakPolarHBondContact OH-CD1 3.3Å
31	K	50.8	Low	49.4	Very low	50 Å²	50	84.4 Å²	84.4	22%	0.217	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.6	160.6	-166.5	-170.2	-177.6	-142.9	0	107.6	R13 L15 E33 N42 H43	R13-K31 PolarHBondContact N-O 2.87Å; R13-K31 PolarHBondContact O-N 3.43Å; L15-K31 HydrophobicContact CD1-CB 3.85Å; L15-K31 HydrophobicContact CD2-CB 4.39Å; L15-K31 HydrophobicContact CG-CB 4.02Å; K31-E33 IonicContact NZ-OE1 3.28Å; K31-E33 PolarHBondContact NZ-OE1 3.3Å; K31-N42 WeakPolarHBondContact CE-OD1 3.34Å; K31-N42 PolarHBondContact NZ-OD1 2.75Å; K31-H43 WeakPolarHBondContact CA-O 3.47Å
32	S	53.7	Low	49.5	Very low	2 Å²	2	84.1 Å²	84.1	1%	0.014	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130	167.5	39.9	0	0	0	0	108.8	D12 Y34 H43	D12-S32 VanDerWaalsContact OD1-CB 3.28Å; D12-S32 WeakPolarHBondContact OD1-CB 3.48Å; S32-Y34 WeakPolarHBondContact OG-CE2 3.43Å; S32-H43 PolarHBondContact N-O 3.33Å; S32-H43 PolarHBondContact O-N 3.22Å; S32-H43 PolarHBondContact OG-O 3.42Å
33	E	49.3	Very low	49.6	Very low	67 Å²	67	84.5 Å²	84.5	31%	0.313	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.6	166.1	-89.7	171	-160.1	0	0	108.1	K31 N42	K31-E33 IonicContact NZ-OE1 3.28Å; K31-E33 PolarHBondContact NZ-OE1 3.3Å; E33-N42 WeakPolarHBondContact CG-OD1 3.4Å; E33-N42 PolarHBondContact OE1-OD1 3.23Å
34	Y	49.2	Very low	49.7	Very low	63 Å²	63	83 Å²	83	25%	0.247	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.5	167.3	-57.3	-86.9	0	0	0	108.5	F9 S32 S40 I41 H43	F9-Y34 AromaticContact CD1-CE1 3.62Å; F9-Y34 HydrophobicContact CD1-CE1 3.62Å; F9-Y34 AromaticContact CD1-CZ 3.97Å; F9-Y34 HydrophobicContact CD2-CE1 4.11Å; F9-Y34 AromaticContact CE1-CE1 3.36Å; F9-Y34 HydrophobicContact CE1-CE1 3.36Å; F9-Y34 AromaticContact CE1-CZ 3.42Å; F9-Y34 VanDerWaalsContact CE1-CZ 3.42Å; F9-Y34 WeakPolarHBondContact CE1-OH 3.15Å; F9-Y34 AromaticContact CE2-CE1 3.82Å; F9-Y34 HydrophobicContact CE2-CE1 3.82Å; F9-Y34 HydrophobicContact CG-CE1 4.02Å; F9-Y34 AromaticContact CZ-CE1 3.44Å; F9-Y34 HydrophobicContact CZ-CE1 3.44Å; F9-Y34 VanDerWaalsContact CZ-CE1 3.44Å; F9-Y34 AromaticContact CZ-CZ 3.75Å; F9-Y34 WeakPolarHBondContact CZ-OH 3.04Å; S32-Y34 WeakPolarHBondContact OG-CE2 3.43Å; Y34-S40 WeakPolarHBondContact O-CA 3.29Å; Y34-I41 PolarHBondContact N-O 3.18Å; Y34-I41 VanDerWaalsContact N-O 3.15Å; Y34-I41 PolarHBondContact O-N 3.24Å; Y34-H43 HydrophobicContact CE2-CB 4.15Å
35	T	42.9	Very low	49.8	Very low	100 Å²	100	77.8 Å²	77.8	61%	0.613	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	111.8	167	41.5	0	0	0	0	108.1
36	T	46.3	Very low	49.9	Very low	88 Å²	88	81.3 Å²	81.3	54%	0.54	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	157.2	161.1	48.4	0	0	0	0	108.5	M38 N39	T36-M38 PolarHBondContact O-N 3.5Å; T36-N39 PolarHBondContact N-O 3.36Å; T36-N39 PolarHBondContact O-N 2.87Å; T36-N39 PolarHBondContact OG1-O 2.93Å
37	E	49.8	Very low	50	Low	211 Å²	211	80.8 Å²	80.8	99%	0.986	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-25.5	-175.7	-74.2	-175.7	163.7	0	0	114.1
38	M	47.7	Very low	50.4	Low	171 Å²	171	77.5 Å²	77.5	84%	0.842	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-13	179	-66.4	-145	-167.8	0	0	115.8	T36	T36-M38 PolarHBondContact O-N 3.5Å
39	N	39.3	Very low	50.1	Low	115 Å²	115	82.6 Å²	82.6	62%	0.615	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.3	145.9	-177	-83.9	-46.4	0	0	0	113.5	T36	T36-N39 PolarHBondContact N-O 3.36Å; T36-N39 PolarHBondContact O-N 2.87Å; T36-N39 PolarHBondContact OG1-O 2.93Å
40	S	41.9	Very low	50.1	Low	80 Å²	80	85.6 Å²	85.6	56%	0.559	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.4	167.3	-51.7	0	0	0	0	109.8	Y34	Y34-S40 WeakPolarHBondContact O-CA 3.29Å
41	I	43.6	Very low	50	Low	108 Å²	108	88.7 Å²	88.7	55%	0.554	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	124.9	176.6	-59.6	175.6	0	0	0	108.9	Y34	Y34-I41 PolarHBondContact N-O 3.18Å; Y34-I41 VanDerWaalsContact N-O 3.15Å; Y34-I41 PolarHBondContact O-N 3.24Å
42	N	46.8	Very low	50.3	Low	82 Å²	82	87.8 Å²	87.8	44%	0.439	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	119.1	172.1	-70.8	-61.1	0	0	0	109.6	K31 E33	K31-N42 WeakPolarHBondContact CE-OD1 3.34Å; K31-N42 PolarHBondContact NZ-OD1 2.75Å; E33-N42 WeakPolarHBondContact CG-OD1 3.4Å; E33-N42 PolarHBondContact OE1-OD1 3.23Å
43	H	47.8	Very low	50.2	Low	99 Å²	99	90.6 Å²	90.6	46%	0.458	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.6	171	-164.3	34.2	0	0	0	110.5	K31 S32 Y34	K31-H43 WeakPolarHBondContact CA-O 3.47Å; S32-H43 PolarHBondContact N-O 3.33Å; S32-H43 PolarHBondContact O-N 3.22Å; S32-H43 PolarHBondContact OG-O 3.42Å; Y34-H43 HydrophobicContact CE2-CB 4.15Å
44	I	48.5	Very low	50.4	Low	77 Å²	77	92 Å²	92	40%	0.395	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121	174.4	-62	174.6	0	0	0	106.8	L15 L29 Y30 L342	L15-I44 HydrophobicContact CD1-CG1 4.47Å; L15-I44 HydrophobicContact CD1-CG2 4.39Å; L29-I44 HydrophobicContact CD1-CG2 3.37Å; L29-I44 HydrophobicContact CD2-CG2 4.25Å; L29-I44 HydrophobicContact CG-CG2 3.78Å; Y30-I44 CarbonylContact O-C 3.36Å; Y30-I44 WeakPolarHBondContact O-CA 3.42Å; I44-L342 HydrophobicContact CD1-CD1 4.31Å; I44-L342 HydrophobicContact CD1-CD2 4.04Å; I44-L342 HydrophobicContact CD1-CG 4.49Å
45	Q	53.6	Low	50.6	Low	44 Å²	44	92.7 Å²	92.7	21%	0.206	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.6	179.2	-69.1	-174.8	-24.5	0	0	110.1	L29 Y30	L29-Q45 WeakPolarHBondContact CA-O 3.38Å; Y30-Q45 PolarHBondContact N-O 3.24Å; Y30-Q45 PolarHBondContact O-N 3.1Å
46	I	51.2	Low	51.1	Low	114 Å²	114	93.7 Å²	93.7	59%	0.585	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.9	168.4	-62.7	169.6	0	0	0	106.1	Y27 F28 L29	Y27-I46 HydrophobicContact CD1-CG2 3.68Å; Y27-I46 HydrophobicContact CG-CG2 4.32Å; F28-I46 WeakPolarHBondContact O-CA 3.36Å; L29-I46 HydrophobicContact CD1-CD1 4.24Å; L29-I46 HydrophobicContact CD1-CG1 3.44Å; L29-I46 VanDerWaalsContact CD1-CG1 3.44Å
47	K	56.6	Low	50.9	Low	22 Å²	22	93.4 Å²	93.4	10%	0.096	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.4	175.8	-63.3	-173.8	-179	-175	0	110	D12 F28 Y30 E51 L52 D55	D12-K47 IonicContact OD2-NZ 3.92Å; F28-K47 PolarHBondContact N-O 3.35Å; F28-K47 PolarHBondContact O-N 3.43Å; Y30-K47 HydrophobicContact CD2-CB 4.4Å; Y30-K47 HydrophobicContact CE2-CB 4.35Å; K47-E51 WeakPolarHBondContact CA-OE2 3.4Å; K47-E51 HydrophobicContact CB-CB 4.44Å; K47-L52 HydrophobicContact CB-CG 4.1Å; K47-L52 HydrophobicContact CD-CD2 4.18Å; K47-L52 HydrophobicContact CD-CG 4.46Å; K47-D55 WeakPolarHBondContact CE-OD2 3.46Å; K47-D55 IonicContact NZ-OD2 3.01Å; K47-D55 PolarHBondContact NZ-OD2 2.95Å
48	T	64.4	Low	50.6	Low	24 Å²	24	89.2 Å²	89.2	15%	0.147	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	161.4	167.9	61.4	0	0	0	0	110.9	V25 T26 Y27 N50 E51 L52	V25-T48 HydrophobicContact CG1-CG2 3.73Å; T26-T48 WeakPolarHBondContact O-CA 3.47Å; Y27-T48 HydrophobicContact CD1-CG2 3.81Å; Y27-T48 HydrophobicContact CE1-CG2 3.65Å; T48-N50 PolarHBondContact O-N 2.67Å; T48-E51 PolarHBondContact N-OE2 3.27Å; T48-E51 PolarHBondContact O-N 3.18Å; T48-E51 VanDerWaalsContact O-N 3.13Å; T48-E51 WeakPolarHBondContact OG1-CG 3.48Å; T48-E51 PolarHBondContact OG1-N 3.36Å; T48-E51 PolarHBondContact OG1-OE2 3.35Å; T48-L52 PolarHBondContact O-N 3.39Å
49	Y	56.4	Low	50.2	Low	139 Å²	139	87.3 Å²	87.3	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-52.7	-39.1	173.9	-173.6	-109.7	0	0	0	112.8	T26 F28 L52 I53	T26-Y49 PolarHBondContact O-N 3.12Å; F28-Y49 HydrophobicContact CE2-CD2 4.28Å; F28-Y49 HydrophobicContact CZ-CD2 4.45Å; Y49-L52 PolarHBondContact O-N 3.19Å; Y49-I53 HydrophobicContact CD1-CD1 3.65Å; Y49-I53 HydrophobicContact CD1-CG1 4.48Å; Y49-I53 HydrophobicContact CE1-CD1 3.13Å; Y49-I53 HydrophobicContact CE1-CG1 4.16Å; Y49-I53 HydrophobicContact CE2-CD1 4.32Å; Y49-I53 HydrophobicContact CG-CD1 4.43Å; Y49-I53 WeakPolarHBondContact O-CG1 3.26Å; Y49-I53 PolarHBondContact O-N 3.23Å
50	N	54.5	Low	50.2	Low	111 Å²	111	88.5 Å²	88.5	59%	0.594	43%	0.434	S	S	*	.	H	α-helix	trans	-69.4	-39	179.5	-65.9	-30.1	0	0	0	112.1	T48 I53 N54	T48-N50 PolarHBondContact O-N 2.67Å; N50-I53 PolarHBondContact O-N 3.32Å; N50-N54 WeakPolarHBondContact O-CB 3.5Å; N50-N54 PolarHBondContact O-N 3.43Å
51	E	56.6	Low	49.9	Very low	95 Å²	95	88.7 Å²	88.7	44%	0.444	43%	0.428	S	S	.	.	H	α-helix	trans	-65.7	-39.3	174.2	-72.6	165.1	164.8	0	0	111.4	K47 T48 N54 D55	K47-E51 WeakPolarHBondContact CA-OE2 3.4Å; K47-E51 HydrophobicContact CB-CB 4.44Å; T48-E51 PolarHBondContact N-OE2 3.27Å; T48-E51 PolarHBondContact O-N 3.18Å; T48-E51 VanDerWaalsContact O-N 3.13Å; T48-E51 WeakPolarHBondContact OG1-CG 3.48Å; T48-E51 PolarHBondContact OG1-N 3.36Å; T48-E51 PolarHBondContact OG1-OE2 3.35Å; E51-N54 PolarHBondContact O-N 3.49Å; E51-D55 WeakPolarHBondContact O-CB 3.27Å; E51-D55 PolarHBondContact O-N 3.33Å
52	L	56.1	Low	49.6	Very low	32 Å²	32	91 Å²	91	17%	0.168	43%	0.434	C	S	.	.	H	α-helix	trans	-61.8	-44.1	174.4	-78.8	158.9	0	0	0	112.6	F28 Y30 K47 T48 Y49 D55 Q56	F28-L52 HydrophobicContact CB-CD1 4.19Å; F28-L52 HydrophobicContact CD2-CD1 3.51Å; F28-L52 HydrophobicContact CE2-CD1 4.01Å; F28-L52 HydrophobicContact CG-CD1 3.89Å; Y30-L52 HydrophobicContact CE2-CD1 3.85Å; Y30-L52 HydrophobicContact CE2-CD2 3.66Å; Y30-L52 HydrophobicContact CE2-CG 4.15Å; Y30-L52 VanDerWaalsContact OH-CD1 3.27Å; Y30-L52 WeakPolarHBondContact OH-CD1 3.3Å; K47-L52 HydrophobicContact CB-CG 4.1Å; K47-L52 HydrophobicContact CD-CD2 4.18Å; K47-L52 HydrophobicContact CD-CG 4.46Å; T48-L52 PolarHBondContact O-N 3.39Å; Y49-L52 PolarHBondContact O-N 3.19Å; L52-D55 PolarHBondContact O-N 2.93Å; L52-Q56 WeakPolarHBondContact O-CB 3.34Å; L52-Q56 WeakPolarHBondContact O-CG 3.45Å; L52-Q56 PolarHBondContact O-N 3.42Å
53	I	52.1	Low	49.2	Very low	60 Å²	60	94 Å²	94	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-63.3	-45.6	175.8	-72.8	173.1	0	0	0	110.1	Y49 N50 Q56 I57	Y49-I53 HydrophobicContact CD1-CD1 3.65Å; Y49-I53 HydrophobicContact CD1-CG1 4.48Å; Y49-I53 HydrophobicContact CE1-CD1 3.13Å; Y49-I53 HydrophobicContact CE1-CG1 4.16Å; Y49-I53 HydrophobicContact CE2-CD1 4.32Å; Y49-I53 HydrophobicContact CG-CD1 4.43Å; Y49-I53 WeakPolarHBondContact O-CG1 3.26Å; Y49-I53 PolarHBondContact O-N 3.23Å; N50-I53 PolarHBondContact O-N 3.32Å; I53-Q56 PolarHBondContact O-N 3.36Å; I53-I57 HydrophobicContact CG2-CD1 3.54Å; I53-I57 HydrophobicContact CG2-CG1 4.21Å; I53-I57 WeakPolarHBondContact O-CB 3.26Å; I53-I57 VanDerWaalsContact O-CG1 3.25Å; I53-I57 WeakPolarHBondContact O-CG1 3.48Å; I53-I57 PolarHBondContact O-N 3.5Å
54	N	53.9	Low	48.5	Very low	97 Å²	97	96.7 Å²	96.7	52%	0.519	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-43.6	179.2	-78.4	-13.3	0	0	0	111.3	N50 E51 Q56 I57 Q58	N50-N54 WeakPolarHBondContact O-CB 3.5Å; N50-N54 PolarHBondContact O-N 3.43Å; E51-N54 PolarHBondContact O-N 3.49Å; N54-Q56 VanDerWaalsContact C-N 3.35Å; N54-Q56 PolarHBondContact O-N 3.26Å; N54-I57 PolarHBondContact O-N 2.83Å; N54-Q58 VanDerWaalsContact O-CB 3.26Å; N54-Q58 WeakPolarHBondContact O-CB 3.46Å; N54-Q58 WeakPolarHBondContact O-CG 3.49Å; N54-Q58 PolarHBondContact O-N 3.25Å
55	D	52.4	Low	48.1	Very low	77 Å²	77	97 Å²	97	41%	0.412	46%	0.455	S	S	.	.	H	α-helix	trans	-60.8	-42.7	175.3	-80.1	-6.5	0	0	0	111.6	K47 E51 L52 Y59	K47-D55 WeakPolarHBondContact CE-OD2 3.46Å; K47-D55 IonicContact NZ-OD2 3.01Å; K47-D55 PolarHBondContact NZ-OD2 2.95Å; E51-D55 WeakPolarHBondContact O-CB 3.27Å; E51-D55 PolarHBondContact O-N 3.33Å; L52-D55 PolarHBondContact O-N 2.93Å; D55-Y59 WeakPolarHBondContact O-CB 3.38Å; D55-Y59 PolarHBondContact O-N 3.02Å
56	Q	53.2	Low	47.5	Very low	122 Å²	122	100.3 Å²	100.3	57%	0.57	47%	0.47	S	S	*	.	H	α-helix	trans	-64	-42.3	175.9	-77.2	-94.2	-24.1	0	0	112.2	L52 I53 N54 K60	L52-Q56 WeakPolarHBondContact O-CB 3.34Å; L52-Q56 WeakPolarHBondContact O-CG 3.45Å; L52-Q56 PolarHBondContact O-N 3.42Å; I53-Q56 PolarHBondContact O-N 3.36Å; N54-Q56 VanDerWaalsContact C-N 3.35Å; N54-Q56 PolarHBondContact O-N 3.26Å; Q56-K60 WeakPolarHBondContact O-CB 3.47Å; Q56-K60 WeakPolarHBondContact O-CG 3.24Å; Q56-K60 PolarHBondContact O-N 3.49Å
57	I	42.6	Very low	46.7	Very low	82 Å²	82	103.1 Å²	103.1	42%	0.421	48%	0.475	S	S	.	.	H	α-helix	trans	-67	-48.7	177	-69.9	171.3	0	0	0	109.9	I53 N54 Y59 K60 I61	I53-I57 HydrophobicContact CG2-CD1 3.54Å; I53-I57 HydrophobicContact CG2-CG1 4.21Å; I53-I57 WeakPolarHBondContact O-CB 3.26Å; I53-I57 VanDerWaalsContact O-CG1 3.25Å; I53-I57 WeakPolarHBondContact O-CG1 3.48Å; I53-I57 PolarHBondContact O-N 3.5Å; N54-I57 PolarHBondContact O-N 2.83Å; I57-Y59 VanDerWaalsContact C-N 3.29Å; I57-Y59 PolarHBondContact O-N 3.05Å; I57-K60 PolarHBondContact O-N 3.05Å; I57-K60 VanDerWaalsContact O-N 3.13Å; I57-I61 HydrophobicContact CG2-CD1 3.67Å; I57-I61 HydrophobicContact CG2-CG1 4.27Å; I57-I61 WeakPolarHBondContact O-CB 3.41Å; I57-I61 VanDerWaalsContact O-CG1 3.27Å; I57-I61 WeakPolarHBondContact O-CG1 3.11Å; I57-I61 PolarHBondContact O-N 3.19Å
58	Q	42.6	Very low	45.6	Very low	122 Å²	122	107.1 Å²	107.1	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-59.2	-40.1	176.4	-72.7	-67	-15.1	0	0	111.3	N54 I61 K62	N54-Q58 VanDerWaalsContact O-CB 3.26Å; N54-Q58 WeakPolarHBondContact O-CB 3.46Å; N54-Q58 WeakPolarHBondContact O-CG 3.49Å; N54-Q58 PolarHBondContact O-N 3.25Å; Q58-I61 PolarHBondContact O-N 2.95Å; Q58-K62 VanDerWaalsContact O-CB 3.26Å; Q58-K62 WeakPolarHBondContact O-CB 3.2Å; Q58-K62 PolarHBondContact O-N 3.48Å
59	Y	40.4	Very low	44.3	Very low	132 Å²	132	109.2 Å²	109.2	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-64.1	-44.6	173.9	-175.4	-93.9	0	0	0	112	D55 I57 K62 R63	D55-Y59 WeakPolarHBondContact O-CB 3.38Å; D55-Y59 PolarHBondContact O-N 3.02Å; I57-Y59 VanDerWaalsContact C-N 3.29Å; I57-Y59 PolarHBondContact O-N 3.05Å; Y59-K62 PolarHBondContact O-N 3.5Å; Y59-R63 HydrophobicContact CE1-CG 4.16Å; Y59-R63 WeakPolarHBondContact O-CB 3.38Å; Y59-R63 PolarHBondContact O-N 3.18Å; Y59-R63 PolarHBondContact OH-NE 3.49Å; Y59-R63 PolarHBondContact OH-NH2 3.48Å
60	K	39.2	Very low	43.2	Very low	140 Å²	140	109.1 Å²	109.1	61%	0.609	52%	0.515	S	S	*	.	H	α-helix	trans	-63.9	-40.2	175.9	-78.5	178.8	-179.2	178	0	112.2	Q56 I57 K64	Q56-K60 WeakPolarHBondContact O-CB 3.47Å; Q56-K60 WeakPolarHBondContact O-CG 3.24Å; Q56-K60 PolarHBondContact O-N 3.49Å; I57-K60 PolarHBondContact O-N 3.05Å; I57-K60 VanDerWaalsContact O-N 3.13Å; K60-K64 PolarHBondContact O-N 3.19Å
61	I	35.2	Very low	42.2	Very low	84 Å²	84	107.3 Å²	107.3	43%	0.431	51%	0.511	S	S	.	.	H	α-helix	trans	-61.2	-55.2	173.7	-69	168	0	0	0	108.8	I57 Q58 R63 K64 T65	I57-I61 HydrophobicContact CG2-CD1 3.67Å; I57-I61 HydrophobicContact CG2-CG1 4.27Å; I57-I61 WeakPolarHBondContact O-CB 3.41Å; I57-I61 VanDerWaalsContact O-CG1 3.27Å; I57-I61 WeakPolarHBondContact O-CG1 3.11Å; I57-I61 PolarHBondContact O-N 3.19Å; Q58-I61 PolarHBondContact O-N 2.95Å; I61-R63 VanDerWaalsContact C-N 3.33Å; I61-R63 PolarHBondContact O-N 3.31Å; I61-K64 PolarHBondContact O-N 3.03Å; I61-T65 PolarHBondContact O-N 3.31Å; I61-T65 PolarHBondContact O-OG1 3.38Å
62	K	37.4	Very low	40.9	Very low	155 Å²	155	111.8 Å²	111.8	67%	0.674	53%	0.525	S	S	*	.	H	α-helix	trans	-57.8	-42.1	-178.4	-163.5	174.6	-174.9	178.4	0	112.4	Q58 Y59 T65 Q66	Q58-K62 VanDerWaalsContact O-CB 3.26Å; Q58-K62 WeakPolarHBondContact O-CB 3.2Å; Q58-K62 PolarHBondContact O-N 3.48Å; Y59-K62 PolarHBondContact O-N 3.5Å; K62-T65 PolarHBondContact O-N 2.86Å; K62-Q66 VanDerWaalsContact O-CB 3.27Å; K62-Q66 WeakPolarHBondContact O-CB 3.46Å; K62-Q66 PolarHBondContact O-N 2.85Å
63	R	37.6	Very low	39.6	Very low	145 Å²	145	115.5 Å²	115.5	55%	0.547	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-45.7	173.3	-104.7	-166.6	178	-177.1	0.6	112	Y59 I61 Q66 Y67	Y59-R63 HydrophobicContact CE1-CG 4.16Å; Y59-R63 WeakPolarHBondContact O-CB 3.38Å; Y59-R63 PolarHBondContact O-N 3.18Å; Y59-R63 PolarHBondContact OH-NE 3.49Å; Y59-R63 PolarHBondContact OH-NH2 3.48Å; I61-R63 VanDerWaalsContact C-N 3.33Å; I61-R63 PolarHBondContact O-N 3.31Å; R63-Q66 PolarHBondContact O-N 3.26Å; R63-Y67 WeakPolarHBondContact O-CD2 3.34Å; R63-Y67 PolarHBondContact O-N 3.07Å
64	K	33.5	Very low	38.4	Very low	156 Å²	156	117.1 Å²	117.1	68%	0.678	57%	0.566	S	S	*	*	H	α-helix	trans	-67.3	-41.2	179.2	-85.4	-170.8	172.1	-172.5	0	112.3	K60 I61 Q66 Y67 L68	K60-K64 PolarHBondContact O-N 3.19Å; I61-K64 PolarHBondContact O-N 3.03Å; K64-Q66 VanDerWaalsContact C-N 3.28Å; K64-Q66 PolarHBondContact O-N 3.26Å; K64-Y67 PolarHBondContact O-N 3.31Å; K64-L68 WeakPolarHBondContact O-CG 3.36Å; K64-L68 PolarHBondContact O-N 3.38Å
65	T	41.1	Very low	37	Very low	84 Å²	84	120 Å²	120	52%	0.515	58%	0.58	S	S	.	*	H	α-helix	trans	-63.1	-37	175.2	-43.3	0	0	0	0	111.1	I61 K62 L68 S69	I61-T65 PolarHBondContact O-N 3.31Å; I61-T65 PolarHBondContact O-OG1 3.38Å; K62-T65 PolarHBondContact O-N 2.86Å; T65-L68 PolarHBondContact O-N 3.12Å; T65-S69 PolarHBondContact O-N 3.18Å
66	Q	40.2	Very low	35.7	Very low	113 Å²	113	121.3 Å²	121.3	53%	0.528	60%	0.595	S	S	.	*	H	α-helix	trans	-71.5	-33.5	176.3	-160.2	174.4	16.9	0	0	113	K62 R63 K64 S69 K70	K62-Q66 VanDerWaalsContact O-CB 3.27Å; K62-Q66 WeakPolarHBondContact O-CB 3.46Å; K62-Q66 PolarHBondContact O-N 2.85Å; R63-Q66 PolarHBondContact O-N 3.26Å; K64-Q66 VanDerWaalsContact C-N 3.28Å; K64-Q66 PolarHBondContact O-N 3.26Å; Q66-S69 PolarHBondContact O-OG 2.75Å; Q66-K70 WeakPolarHBondContact O-CG 3.36Å; Q66-K70 PolarHBondContact O-N 3.07Å
67	Y	35	Very low	34.2	Very low	173 Å²	173	125.5 Å²	125.5	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-64.9	-44.7	169.4	-97.9	-81.4	0	0	0	111.2	R63 K64 S69 K70 S71	R63-Y67 WeakPolarHBondContact O-CD2 3.34Å; R63-Y67 PolarHBondContact O-N 3.07Å; K64-Y67 PolarHBondContact O-N 3.31Å; Y67-S69 PolarHBondContact O-N 3.41Å; Y67-K70 PolarHBondContact O-N 2.92Å; Y67-S71 PolarHBondContact O-N 3.44Å; Y67-S71 VanDerWaalsContact O-N 3.07Å; Y67-S71 PolarHBondContact O-OG 3.06Å; Y67-S71 VanDerWaalsContact O-OG 3.11Å
68	L	33.2	Very low	33.2	Very low	107 Å²	107	129 Å²	129	56%	0.56	63%	0.627	S	S	*	*	H	α-helix	trans	-63.8	-40.4	177.2	-76.6	160.1	0	0	0	112	K64 T65 K70 S71 Y72	K64-L68 WeakPolarHBondContact O-CG 3.36Å; K64-L68 PolarHBondContact O-N 3.38Å; T65-L68 PolarHBondContact O-N 3.12Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 3.27Å; L68-S71 PolarHBondContact O-N 3.19Å; L68-Y72 WeakPolarHBondContact O-CD2 3.48Å; L68-Y72 PolarHBondContact O-N 3.11Å
69	S	36.4	Very low	32.5	Very low	67 Å²	67	133.4 Å²	133.4	47%	0.469	64%	0.644	S	S	.	*	H	α-helix	trans	-66.1	-34.4	177.7	84.6	0	0	0	0	112.3	T65 Q66 Y67 T73	T65-S69 PolarHBondContact O-N 3.18Å; Q66-S69 PolarHBondContact O-OG 2.75Å; Y67-S69 PolarHBondContact O-N 3.41Å; S69-T73 PolarHBondContact O-N 3.04Å; S69-T73 PolarHBondContact O-OG1 2.94Å
70	K	34.9	Very low	31.6	Very low	138 Å²	138	135.7 Å²	135.7	60%	0.6	66%	0.66	S	S	*	*	H	α-helix	trans	-68.8	-37.7	174.3	-76.8	-174.6	176.9	-171.7	0	112.3	Q66 Y67 L68 Y72 T73 S74	Q66-K70 WeakPolarHBondContact O-CG 3.36Å; Q66-K70 PolarHBondContact O-N 3.07Å; Y67-K70 PolarHBondContact O-N 2.92Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 3.27Å; K70-Y72 VanDerWaalsContact C-N 3.29Å; K70-Y72 PolarHBondContact O-N 2.83Å; K70-T73 PolarHBondContact O-N 2.79Å; K70-T73 PolarHBondContact O-OG1 2.84Å; K70-S74 PolarHBondContact O-OG 3.21Å
71	S	32.7	Very low	31.2	Very low	72 Å²	72	140.2 Å²	140.2	50%	0.503	68%	0.675	S	S	.	*	H	α-helix	trans	-64.7	-33.3	177.5	-55.9	0	0	0	0	112.6	Y67 L68	Y67-S71 PolarHBondContact O-N 3.44Å; Y67-S71 VanDerWaalsContact O-N 3.07Å; Y67-S71 PolarHBondContact O-OG 3.06Å; Y67-S71 VanDerWaalsContact O-OG 3.11Å; L68-S71 PolarHBondContact O-N 3.19Å
72	Y	28.4	Very low	30.6	Very low	190 Å²	190	142.8 Å²	142.8	75%	0.745	69%	0.689	S	S	*	*	H	α-helix	trans	-74.4	-30.6	176.8	-87	-80.3	0	0	0	113.4	L68 K70 S74	L68-Y72 WeakPolarHBondContact O-CD2 3.48Å; L68-Y72 PolarHBondContact O-N 3.11Å; K70-Y72 VanDerWaalsContact C-N 3.29Å; K70-Y72 PolarHBondContact O-N 2.83Å; Y72-S74 VanDerWaalsContact C-N 3.27Å; Y72-S74 PolarHBondContact O-N 3.16Å
73	T	29.7	Very low	30	Very low	109 Å²	109	141.4 Å²	141.4	67%	0.669	69%	0.694	S	S	*	*	H	α-helix	trans	-72.1	-18.7	177.2	46.1	0	0	0	0	113.9	S69 K70	S69-T73 PolarHBondContact O-N 3.04Å; S69-T73 PolarHBondContact O-OG1 2.94Å; K70-T73 PolarHBondContact O-N 2.79Å; K70-T73 PolarHBondContact O-OG1 2.84Å
74	S	27.3	Very low	29.3	Very low	95 Å²	95	140.5 Å²	140.5	66%	0.664	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-6.6	-179.9	-54.2	0	0	0	0	114.5	K70 Y72	K70-S74 PolarHBondContact O-OG 3.21Å; Y72-S74 VanDerWaalsContact C-N 3.27Å; Y72-S74 PolarHBondContact O-N 3.16Å
75	L	23.6	Very low	28.8	Very low	158 Å²	158	138.7 Å²	138.7	83%	0.827	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	3.7	-175.3	-122.2	84.8	0	0	0	115.1
76	S	24.7	Very low	28	Very low	104 Å²	104	140 Å²	140	73%	0.727	72%	0.715	S	S	*	*	S	Bend	trans	-105.2	0.9	-173.5	-169.2	0	0	0	0	115.6
77	Y	21.7	Very low	27.1	Very low	210 Å²	210	140.3 Å²	140.3	82%	0.824	73%	0.725	S	S	*	*			trans	-117.4	110.6	174	-101.6	-97.1	0	0	0	108
78	N	23.5	Very low	26.6	Very low	156 Å²	156	138.9 Å²	138.9	83%	0.834	73%	0.729	S	S	*	*			trans	151.4	81.8	153.2	-76.1	-18.2	0	0	0	110.3
79	K	26.1	Very low	26.3	Very low	213 Å²	213	141.6 Å²	141.6	93%	0.926	74%	0.744	S	S	*	*			trans	-151.7	68.5	153.1	-77.2	-159.7	179.5	177.2	0	110.2
80	E	23.3	Very low	25.7	Very low	180 Å²	180	146 Å²	146	84%	0.841	76%	0.762	S	S	*	*			trans	-109.2	110.4	145.6	-90.1	-179.7	156.1	0	0	104.7
81	Y	29.5	Very low	25.2	Very low	236 Å²	236	147.1 Å²	147.1	93%	0.925	78%	0.775	S	S	*	*			trans	-160.8	139.2	151.5	-91.1	-63.3	0	0	0	109.7
82	D	23.8	Very low	24.8	Very low	138 Å²	138	149.1 Å²	149.1	74%	0.738	79%	0.788	S	S	*	*			trans	-60.7	149.3	-164.9	-66.4	-67.2	0	0	0	116.1	T84	D82-T84 PolarHBondContact O-N 3.41Å
83	T	23.1	Very low	24.5	Very low	126 Å²	126	144.9 Å²	144.9	77%	0.773	79%	0.787	S	S	*	*			trans	-28.8	120.3	147.3	22.5	0	0	0	0	113.8
84	T	24.5	Very low	24.1	Very low	125 Å²	125	149.8 Å²	149.8	77%	0.767	79%	0.793	S	S	*	*			trans	-171.6	116.9	137.8	18.7	0	0	0	0	111.5	D82	D82-T84 PolarHBondContact O-N 3.41Å
85	T	22.7	Very low	23.9	Very low	119 Å²	119	152 Å²	152	73%	0.73	80%	0.796	S	S	*	*			trans	64.2	122.7	139.5	35.3	0	0	0	0	122
86	T	23.3	Very low	23.9	Very low	112 Å²	112	151.9 Å²	151.9	69%	0.687	79%	0.791	S	S	*	*			trans	85.5	109.2	131.1	47.3	0	0	0	0	120.8
87	T	22.5	Very low	23.9	Very low	119 Å²	119	154.2 Å²	154.2	73%	0.73	80%	0.795	S	S	*	*				79.1	128.5	127.9	54.6	0	0	0	0	120.2
88	N	24.5	Very low	23.9	Very low	143 Å²	143	150.2 Å²	150.2	77%	0.765	79%	0.787	S	S	*	*			trans	68.2	88.7	153.2	-73	-11.9	0	0	0	117.6
89	N	25.5	Very low	23.8	Very low	164 Å²	164	146.2 Å²	146.2	88%	0.877	77%	0.771	S	S	*	*				-168.9	102.5	114.1	-91.8	-28.1	0	0	0	110.1	N91	N89-N91 PolarHBondContact O-N 2.92Å
90	N	25	Very low	23.8	Very low	159 Å²	159	144.5 Å²	144.5	85%	0.85	77%	0.766	S	S	*	*			trans	-74.7	96.2	165.6	-72.6	-29.8	0	0	0	108.2
91	N	24.6	Very low	24	Very low	161 Å²	161	139.5 Å²	139.5	86%	0.861	75%	0.751	S	S	*	*			trans	-168.9	88.8	140.7	-91.4	-27.1	0	0	0	107.8	N89 S93	N89-N91 PolarHBondContact O-N 2.92Å; N91-S93 PolarHBondContact O-N 3.3Å
92	S	22.6	Very low	23.8	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	73%	0.734	S	S	*	*			trans	-39.5	104.1	173.4	175.5	0	0	0	0	111.4	R94	S92-R94 PolarHBondContact O-N 3.38Å
93	S	22.7	Very low	23.7	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	73%	0.731	S	S	*	*			trans	-56	93.5	156.4	43.4	0	0	0	0	107.7	N91 I95	N91-S93 PolarHBondContact O-N 3.3Å; S93-I95 PolarHBondContact O-N 2.89Å
94	R	22.5	Very low	23.7	Very low	212 Å²	212	132.6 Å²	132.6	80%	0.8	73%	0.731	S	S	*	*			trans	-64.2	92.5	167	-170.6	172.9	-174.9	156.9	0.3	105.9	S92 Q96	S92-R94 PolarHBondContact O-N 3.38Å; R94-Q96 PolarHBondContact O-N 2.8Å
95	I	22.8	Very low	23.7	Very low	142 Å²	142	133.3 Å²	133.3	73%	0.728	73%	0.73	S	S	*	*			trans	-57.2	93.3	165.8	-63.4	171.1	0	0	0	104.7	S93 N97	S93-I95 PolarHBondContact O-N 2.89Å; I95-N97 PolarHBondContact O-N 2.83Å
96	Q	24	Very low	23.6	Very low	156 Å²	156	134.4 Å²	134.4	73%	0.729	73%	0.73	S	S	*	*			trans	-65.8	107.9	168.6	-77.9	-177.4	-15.8	0	0	104.9	R94 I98	R94-Q96 PolarHBondContact O-N 2.8Å; Q96-I98 PolarHBondContact O-N 3.13Å
97	N	24.1	Very low	23.5	Very low	152 Å²	152	138.1 Å²	138.1	81%	0.813	74%	0.737	S	S	*	*			trans	-50.3	98.1	159.2	-75.4	-32.8	0	0	0	106.4	I95 S99	I95-N97 PolarHBondContact O-N 2.83Å; N97-S99 PolarHBondContact O-N 2.94Å
98	I	21.1	Very low	23.5	Very low	127 Å²	127	141 Å²	141	65%	0.651	74%	0.74	S	S	*	*			trans	-59.8	110.4	174.2	-67.6	169.3	0	0	0	104.8	Q96 D102	Q96-I98 PolarHBondContact O-N 3.13Å; I98-D102 HydrophobicContact CG2-CB 3.98Å
99	S	22.7	Very low	23.4	Very low	71 Å²	71	139 Å²	139	50%	0.497	74%	0.736	S	S	.	*			trans	-61.4	145.9	-178.1	84.4	0	0	0	0	108.8	N97 S101 D102	N97-S99 PolarHBondContact O-N 2.94Å; S99-S101 PolarHBondContact O-N 3.13Å; S99-S101 PolarHBondContact OG-OG 3.4Å; S99-D102 PolarHBondContact O-N 3.09Å
100	H	24.6	Very low	23.1	Very low	178 Å²	178	140.2 Å²	140.2	82%	0.824	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-0.1	-172.1	-156.5	-62.4	0	0	0	114.8
101	S	28.4	Very low	23.1	Very low	74 Å²	74	139 Å²	139	52%	0.517	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-27.5	175.8	64.5	0	0	0	0	114.5	S99	S99-S101 PolarHBondContact O-N 3.13Å; S99-S101 PolarHBondContact OG-OG 3.4Å
102	D	25.3	Very low	22.9	Very low	106 Å²	106	139.3 Å²	139.3	57%	0.567	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-86.2	-13.3	-167.2	-66.8	-10.5	0	0	0	113.6	I98 S99 L104	I98-D102 HydrophobicContact CG2-CB 3.98Å; S99-D102 PolarHBondContact O-N 3.09Å; D102-L104 VanDerWaalsContact C-N 3.26Å; D102-L104 PolarHBondContact O-N 3.06Å
103	C	22	Very low	23	Very low	102 Å²	102	142.3 Å²	142.3	69%	0.689	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-77.5	-4.1	177.2	-67.3	0	0	0	0	114.5
104	L	23.1	Very low	22.9	Very low	148 Å²	148	143.3 Å²	143.3	78%	0.775	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-93.2	6.6	-174.2	-81.3	169.3	0	0	0	115.8	D102 L106	D102-L104 VanDerWaalsContact C-N 3.26Å; D102-L104 PolarHBondContact O-N 3.06Å; L104-L106 PolarHBondContact O-N 3.48Å
105	L	22.8	Very low	22.8	Very low	140 Å²	140	141.5 Å²	141.5	73%	0.733	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-85.4	0.2	-179.3	-93.9	163.6	0	0	0	115.7	F107	L105-F107 PolarHBondContact O-N 3.47Å
106	L	20.6	Very low	22.6	Very low	141 Å²	141	140.4 Å²	140.4	74%	0.738	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-85.5	-4.7	-169.4	-101.4	154.8	0	0	0	117	L104	L104-L106 PolarHBondContact O-N 3.48Å
107	F	22.7	Very low	22.5	Very low	190 Å²	190	138.1 Å²	138.1	83%	0.833	74%	0.736	S	S	*	*			trans	-147	66.6	179.5	-70.4	-77.4	0	0	0	114.4	L105 S109	L105-F107 PolarHBondContact O-N 3.47Å; F107-S109 VanDerWaalsContact C-N 3.31Å; F107-S109 PolarHBondContact O-N 2.99Å; F107-S109 VanDerWaalsContact O-N 3.09Å
108	K	21.2	Very low	22.2	Very low	181 Å²	181	137.3 Å²	137.3	79%	0.787	73%	0.73	S	S	*	*			trans	-77.2	85.6	157.5	-83.5	-174.1	177.2	178.7	0	109.2	F110	K108-F110 PolarHBondContact O-N 2.91Å; K108-F110 VanDerWaalsContact O-N 3.13Å
109	S	22.1	Very low	22.2	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	73%	0.734	S	S	*	*			trans	-70.8	103.3	168.2	-174.7	0	0	0	0	108.8	F107 N111	F107-S109 VanDerWaalsContact C-N 3.31Å; F107-S109 PolarHBondContact O-N 2.99Å; F107-S109 VanDerWaalsContact O-N 3.09Å; S109-N111 PolarHBondContact O-N 3.2Å
110	F	20.2	Very low	22	Very low	191 Å²	191	140.9 Å²	140.9	84%	0.838	74%	0.744	S	S	*	*			trans	-55.8	99.5	163.3	-87	-96.8	0	0	0	108.8	K108	K108-F110 PolarHBondContact O-N 2.91Å; K108-F110 VanDerWaalsContact O-N 3.13Å
111	N	24	Very low	21.9	Very low	132 Å²	132	138 Å²	138	71%	0.706	74%	0.74	S	S	*	*			trans	-154	92.4	161.2	-94.1	-31.8	0	0	0	109.9	S109 K113	S109-N111 PolarHBondContact O-N 3.2Å; N111-K113 VanDerWaalsContact C-N 3.33Å; N111-K113 PolarHBondContact O-N 2.96Å
112	N	21.7	Very low	21.7	Very low	168 Å²	168	143.2 Å²	143.2	90%	0.898	76%	0.756	S	S	*	*			trans	-63.8	89.7	164.2	-70.9	-20.1	0	0	0	109.4
113	K	23.8	Very low	21.6	Very low	178 Å²	178	146.6 Å²	146.6	77%	0.774	77%	0.768	S	S	*	*			trans	-141.1	88.8	159.6	-75.5	-169.8	-179.1	174.6	0	108.3	N111 E115	N111-K113 VanDerWaalsContact C-N 3.33Å; N111-K113 PolarHBondContact O-N 2.96Å; K113-E115 PolarHBondContact O-N 2.83Å
114	S	20.9	Very low	21.5	Very low	122 Å²	122	151.6 Å²	151.6	85%	0.853	78%	0.778	S	S	*	*			trans	9.8	91.9	149.8	50.3	0	0	0	0	116.1
115	E	20.4	Very low	21.5	Very low	174 Å²	174	149.6 Å²	149.6	81%	0.813	78%	0.776	S	S	*	*			trans	-82.8	114.9	157.9	-83.2	179.8	154.3	0	0	108.3	K113 V117	K113-E115 PolarHBondContact O-N 2.83Å; E115-V117 HydrophobicContact CB-CG2 4.22Å; E115-V117 PolarHBondContact O-N 2.84Å
116	C	19.9	Very low	21.4	Very low	118 Å²	118	152.2 Å²	152.2	80%	0.797	79%	0.785	S	S	*	*			trans	-84.6	93.4	163.2	-175.7	0	0	0	0	106.7	I118	C116-I118 PolarHBondContact O-N 2.83Å
117	V	20.3	Very low	21.4	Very low	108 Å²	108	152.6 Å²	152.6	66%	0.655	79%	0.787	S	S	*	*			trans	-78.9	102.7	173.7	180	0	0	0	0	107.6	E115 N119	E115-V117 HydrophobicContact CB-CG2 4.22Å; E115-V117 PolarHBondContact O-N 2.84Å; V117-N119 PolarHBondContact O-N 3.5Å; V117-N119 VanDerWaalsContact O-N 3.16Å
118	I	18.7	Very low	21.3	Very low	136 Å²	136	149.3 Å²	149.3	70%	0.697	79%	0.788	S	S	*	*			trans	-76.8	95.8	166.2	-59	173.7	0	0	0	106	C116 L120	C116-I118 PolarHBondContact O-N 2.83Å; I118-L120 HydrophobicContact CG2-CD1 3.69Å; I118-L120 PolarHBondContact O-N 3.46Å
119	N	19.9	Very low	21.3	Very low	137 Å²	137	150 Å²	150	73%	0.733	79%	0.791	S	S	*	*			trans	-76	90.5	176	-161.1	-14.9	0	0	0	108.7	V117 T121	V117-N119 PolarHBondContact O-N 3.5Å; V117-N119 VanDerWaalsContact O-N 3.16Å; N119-T121 PolarHBondContact OD1-O 3.29Å
120	L	19.3	Very low	21.4	Very low	136 Å²	136	152.3 Å²	152.3	71%	0.712	80%	0.795	S	S	*	*			trans	-88.4	144.2	160.7	-110.3	74.3	0	0	0	107.1	I118	I118-L120 HydrophobicContact CG2-CD1 3.69Å; I118-L120 PolarHBondContact O-N 3.46Å
121	T	21.9	Very low	21.5	Very low	118 Å²	118	151.5 Å²	151.5	72%	0.724	79%	0.794	S	S	*	*			trans	74	115.4	-179.2	12.3	0	0	0	0	112.9	N119	N119-T121 PolarHBondContact OD1-O 3.29Å
122	E	24.7	Very low	21.5	Very low	183 Å²	183	152.4 Å²	152.4	86%	0.855	80%	0.799	S	S	*	*				-163.9	161.9	55.4	-122.9	166.4	172.4	0	0	112.1
123	Q	23.2	Very low	21.6	Very low	176 Å²	176	153.3 Å²	153.3	82%	0.822	80%	0.798	S	S	*	*			trans	-62.1	145.3	-172.4	-68.5	161.4	-7.9	0	0	115.2
124	K	20.6	Very low	21.6	Very low	207 Å²	207	152.2 Å²	152.2	90%	0.9	80%	0.8	S	S	*	*			trans	34.6	103.8	135.7	-64.1	179.5	176.1	-179.1	0	117.8
125	S	23	Very low	21.7	Very low	106 Å²	106	154.3 Å²	154.3	74%	0.741	80%	0.8	S	S	*	*			trans	-160.8	120.4	131.1	55.5	0	0	0	0	110.5	L127	S125-L127 PolarHBondContact O-N 2.78Å
126	Q	20.8	Very low	21.9	Very low	195 Å²	195	152.5 Å²	152.5	91%	0.911	80%	0.795	S	S	*	*			trans	-58.3	121.8	167.2	-68.1	160.9	-28.4	0	0	109.4
127	L	20.8	Very low	22.3	Very low	150 Å²	150	156.4 Å²	156.4	79%	0.785	80%	0.799	S	S	*	*			trans	-137.6	98.5	155.7	-81.2	172.9	0	0	0	107	S125 F129	S125-L127 PolarHBondContact O-N 2.78Å; L127-F129 PolarHBondContact O-N 2.99Å
128	S	19.7	Very low	22.5	Very low	121 Å²	121	158.2 Å²	158.2	85%	0.846	81%	0.805	S	S	*	*			trans	-67.5	120	165.5	59.4	0	0	0	0	108.1
129	F	22	Very low	22.7	Very low	195 Å²	195	161.3 Å²	161.3	86%	0.855	81%	0.813	S	S	*	*			trans	-108.8	122.6	166.9	-118.1	-95	0	0	0	108.4	L127 E131	L127-F129 PolarHBondContact O-N 2.99Å; F129-E131 PolarHBondContact O-N 3.25Å
130	N	23.9	Very low	23.1	Very low	147 Å²	147	163.1 Å²	163.1	79%	0.786	82%	0.817	S	S	*	*			trans	-77.1	113.3	-174.9	-164.3	15.2	0	0	0	108.9	N132	N130-N132 PolarHBondContact O-N 3.34Å
131	E	21.8	Very low	23.3	Very low	175 Å²	175	162.7 Å²	162.7	82%	0.818	81%	0.814	S	S	*	*			trans	-71.9	103.1	166.3	-78.9	178.7	141.3	0	0	107.9	F129	F129-E131 PolarHBondContact O-N 3.25Å
132	N	24.4	Very low	23.5	Very low	151 Å²	151	163.2 Å²	163.2	81%	0.807	81%	0.812	S	S	*	*			trans	176.3	70.5	155	-86.9	-26.8	0	0	0	110.9	N130	N130-N132 PolarHBondContact O-N 3.34Å
133	E	24.7	Very low	23.4	Very low	187 Å²	187	162.8 Å²	162.8	87%	0.874	81%	0.81	S	S	*	*			trans	-169.1	101.9	155.2	-118.1	178.3	176.9	0	0	109.3
134	L	22.8	Very low	23.6	Very low	155 Å²	155	162.7 Å²	162.7	81%	0.812	82%	0.815	S	S	*	*				170	59.3	120.9	-138.8	76.3	0	0	0	110.9	N136	L134-N136 PolarHBondContact O-N 3.44Å
135	I	23.2	Very low	23.6	Very low	166 Å²	166	158.7 Å²	158.7	85%	0.851	81%	0.808	S	S	*	*			trans	-86.7	90.3	159.5	-60.9	173	0	0	0	106.8
136	N	25.4	Very low	23.6	Very low	135 Å²	135	157.7 Å²	157.7	72%	0.722	81%	0.806	S	S	*	*			trans	169.9	108.8	145.9	-102.9	-27.6	0	0	0	110.7	L134	L134-N136 PolarHBondContact O-N 3.44Å
137	K	27.8	Very low	23.9	Very low	200 Å²	200	157.5 Å²	157.5	87%	0.87	81%	0.805	S	S	*	*			trans	-157.9	91.5	144.4	-109.2	166.8	-171.4	-179.5	0	110.2
138	N	24.9	Very low	24	Very low	146 Å²	146	156 Å²	156	78%	0.781	81%	0.807	S	S	*	*			trans	48	106	136.4	-68.3	-17.5	0	0	0	120.4
139	K	22.6	Very low	24	Very low	201 Å²	201	157.4 Å²	157.4	87%	0.874	81%	0.805	S	S	*	*			trans	-22.9	133	137.4	-73.7	172.9	170.1	177.3	0	114.3
140	H	27	Very low	24	Very low	176 Å²	176	156.2 Å²	156.2	82%	0.815	81%	0.807	S	S	*	*			trans	-165.2	134.3	143.2	-124.8	-57.2	0	0	0	112.9
141	I	24.2	Very low	23.8	Very low	127 Å²	127	158.8 Å²	158.8	65%	0.651	81%	0.807	S	S	*	*			trans	93.3	103.3	144.8	-55.6	-175.2	0	0	0	119.9
142	N	26.5	Very low	23.9	Very low	128 Å²	128	158.7 Å²	158.7	68%	0.684	81%	0.811	S	S	*	*				64.7	110.4	128.8	-56.6	4.5	0	0	0	119
143	E	22.1	Very low	23.9	Very low	174 Å²	174	157.7 Å²	157.7	81%	0.813	81%	0.805	S	S	*	*				64.5	92.2	89.5	-83.7	-175.9	158.5	0	0	113.2
144	L	27.2	Very low	23.6	Very low	175 Å²	175	152 Å²	152	92%	0.916	79%	0.786	S	S	*	*			trans	-136.1	103.5	142.7	-96.6	163.5	0	0	0	107.8
145	T	21.1	Very low	23.5	Very low	123 Å²	123	151.7 Å²	151.7	76%	0.755	79%	0.785	S	S	*	*			trans	-59.8	159.5	169.6	28.2	0	0	0	0	113.8
146	A	23.2	Very low	23.6	Very low	84 Å²	84	150.4 Å²	150.4	69%	0.694	79%	0.785	S	S	*	*			trans	85.9	100.5	156.4	0	0	0	0	0	117.1
147	Q	25.8	Very low	23.5	Very low	192 Å²	192	153.2 Å²	153.2	90%	0.897	79%	0.794	S	S	*	*				169.8	133	103.2	-95.8	162.3	-41.5	0	0	111.8
148	S	22.7	Very low	23.1	Very low	117 Å²	117	151.2 Å²	151.2	82%	0.818	79%	0.791	S	S	*	*			trans	77.7	92.9	159.2	-153	0	0	0	0	118.4
149	D	21.3	Very low	22.9	Very low	151 Å²	151	152.6 Å²	152.6	81%	0.807	79%	0.793	S	S	*	*			trans	-32.6	126.8	141.2	-55.2	-58.8	0	0	0	113.7
150	L	21.6	Very low	23	Very low	171 Å²	171	152.8 Å²	152.8	90%	0.895	79%	0.794	S	S	*	*				-167	101	118.7	-116.3	150.8	0	0	0	109.5
151	Y	20.1	Very low	22.7	Very low	201 Å²	201	154 Å²	154	79%	0.788	80%	0.799	S	S	*	*			trans	-63.8	130.3	167.6	-128	-107.8	0	0	0	109.7
152	L	23.3	Very low	22.5	Very low	172 Å²	172	152.5 Å²	152.5	90%	0.901	80%	0.801	S	S	*	*			trans	-146.3	105.2	143.5	-149	72.9	0	0	0	111
153	D	23.6	Very low	22.4	Very low	130 Å²	130	154.1 Å²	154.1	70%	0.695	81%	0.808	S	S	*	*			trans	59.8	93.7	144.9	-124.1	-3	0	0	0	122.3
154	C	18.6	Very low	22.2	Very low	69 Å²	69	157.8 Å²	157.8	47%	0.466	82%	0.817	S	S	.	*			trans	-18.7	136	137.1	24.6	0	0	0	0	121
155	N	21.7	Very low	22.1	Very low	147 Å²	147	152.6 Å²	152.6	79%	0.786	81%	0.805	S	S	*	*				79.2	152.7	122.2	-63	-25.4	0	0	0	122.3
156	T	24.6	Very low	22.1	Very low	140 Å²	140	153.7 Å²	153.7	86%	0.859	81%	0.806	S	S	*	*			trans	80.8	117.9	173.9	61.1	0	0	0	0	114.7
157	E	22.9	Very low	22.2	Very low	194 Å²	194	157.3 Å²	157.3	91%	0.907	81%	0.814	S	S	*	*			cis	-135.7	125	31.9	-66.6	179.4	142.7	0	0	112.9
158	I	20.6	Very low	22	Very low	158 Å²	158	157 Å²	157	81%	0.81	81%	0.813	S	S	*	*			trans	-84.6	135.8	149.3	-62.4	171.1	0	0	0	105.4
159	Q	21.4	Very low	22	Very low	175 Å²	175	162.5 Å²	162.5	82%	0.818	82%	0.815	S	S	*	*			trans	142.4	106.8	142.6	-78.4	175.3	5.7	0	0	111.6
160	K	23.4	Very low	22.2	Very low	205 Å²	205	162.2 Å²	162.2	89%	0.891	81%	0.814	S	S	*	*				-178.1	79	125.7	-95	161	-171.7	179	0	109.5
161	Q	20	Very low	22.3	Very low	200 Å²	200	161.1 Å²	161.1	94%	0.935	81%	0.814	S	S	*	*			trans	-85.7	109.8	150.9	-89	176	-16.7	0	0	107.6
162	S	20.9	Very low	22.5	Very low	97 Å²	97	156.3 Å²	156.3	68%	0.678	81%	0.81	S	S	*	*			trans	178.2	113.9	152.3	62.4	0	0	0	0	104.4
163	L	24.2	Very low	22.6	Very low	162 Å²	162	156 Å²	156	85%	0.848	81%	0.809	S	S	*	*				-168	104.5	82.7	-145.1	69.5	0	0	0	107
164	Y	18.6	Very low	22.7	Very low	251 Å²	251	155.7 Å²	155.7	98%	0.984	82%	0.817	S	S	*	*			trans	-81.4	118.8	155	-110.9	-97.7	0	0	0	105.3
165	G	24.1	Very low	22.9	Very low	65 Å²	65	161 Å²	161	67%	0.67	84%	0.84	S	S	*	*			trans	-150.1	119.9	179.8	0	0	0	0	0	109.5
166	D	22.2	Very low	23	Very low	146 Å²	146	163.1 Å²	163.1	78%	0.781	84%	0.843	S	S	*	*			trans	-52.9	150.4	-172.3	-63.6	-61.8	0	0	0	115.6
167	N	24.4	Very low	23.1	Very low	160 Å²	160	164.6 Å²	164.6	86%	0.856	84%	0.844	S	S	*	*				173.5	116	110.6	-88.5	-47	0	0	0	112
168	Q	21.2	Very low	22.9	Very low	186 Å²	186	163.4 Å²	163.4	87%	0.869	84%	0.843	S	S	*	*			trans	-75.1	129.2	157.4	-69.9	-166.7	-14.2	0	0	110
169	R	24	Very low	23	Very low	232 Å²	232	163.6 Å²	163.6	88%	0.875	85%	0.846	S	S	*	*			trans	158.4	135.3	158.8	-92.2	162.9	-168.4	-166.7	4.7	105.5
170	N	25.4	Very low	23.2	Very low	145 Å²	145	161.5 Å²	161.5	78%	0.775	85%	0.845	S	S	*	*			cis	-151.7	132.6	24.8	-100.4	-37.4	0	0	0	107.7
171	V	23.2	Very low	23.1	Very low	148 Å²	148	162.1 Å²	162.1	90%	0.897	85%	0.848	S	S	*	*			trans	-97	94.9	164.7	175.4	0	0	0	0	106.3
172	S	24.7	Very low	23.2	Very low	101 Å²	101	160.5 Å²	160.5	71%	0.706	84%	0.841	S	S	*	*			trans	-170.8	80.6	168.7	-75.3	0	0	0	0	109.6
173	D	26.1	Very low	23.3	Very low	165 Å²	165	164.2 Å²	164.2	88%	0.882	85%	0.847	S	S	*	*			trans	-155.8	19.8	167.5	-98.4	-21.6	0	0	0	114.3
174	S	25	Very low	23.3	Very low	124 Å²	124	162.4 Å²	162.4	87%	0.867	85%	0.848	S	S	*	*	S	Bend	trans	-109.4	15.7	-177.1	-59.6	0	0	0	0	115.3
175	L	22.6	Very low	23.5	Very low	181 Å²	181	156.6 Å²	156.6	95%	0.948	84%	0.839	S	S	*	*	S	Bend	trans	-107.4	11.5	-177.7	-126.4	80.6	0	0	0	116.1
176	F	24.3	Very low	23.4	Very low	191 Å²	191	158.4 Å²	158.4	84%	0.838	84%	0.841	S	S	*	*	S	Bend	trans	-106.6	0.3	-172.8	-155.9	-103.1	0	0	0	116.9
177	L	25.2	Very low	23.6	Very low	170 Å²	170	159.1 Å²	159.1	89%	0.89	85%	0.845	S	S	*	*	S	Bend	trans	-122.6	43.8	-173.6	-74.2	175.9	0	0	0	115.2
178	L	20.3	Very low	23.5	Very low	169 Å²	169	156.4 Å²	156.4	89%	0.885	84%	0.837	S	S	*	*	S	Bend	trans	-127.8	6.7	172.5	-113.2	148.1	0	0	0	115.8
179	N	21.3	Very low	23.6	Very low	162 Å²	162	157 Å²	157	87%	0.866	84%	0.836	S	S	*	*	S	Bend	trans	-122.1	63.7	178.3	-95.1	-7.6	0	0	0	112.7
180	T	26.2	Very low	23.7	Very low	131 Å²	131	157.3 Å²	157.3	80%	0.804	84%	0.839	S	S	*	*			trans	-158.8	73.2	158.5	-34.9	0	0	0	0	111
181	F	22.2	Very low	23.4	Very low	218 Å²	218	160.4 Å²	160.4	96%	0.956	84%	0.841	S	S	*	*			trans	-139.6	82.8	163	-94.5	-75.2	0	0	0	108.9
182	E	21.6	Very low	23.4	Very low	166 Å²	166	159.4 Å²	159.4	78%	0.776	83%	0.831	S	S	*	*			trans	-138.2	145	164.6	-96.3	-128.5	160.6	0	0	108.6
183	Q	23.4	Very low	23.2	Very low	175 Å²	175	161 Å²	161	82%	0.818	83%	0.831	S	S	*	*			trans	78.8	104.8	167	-59.6	167.4	24.4	0	0	117.9
184	S	24.4	Very low	23.1	Very low	124 Å²	124	164.9 Å²	164.9	87%	0.867	83%	0.834	S	S	*	*				-174.7	136.2	109.5	61.3	0	0	0	0	110.8
185	T	21.9	Very low	22.9	Very low	129 Å²	129	167.2 Å²	167.2	79%	0.791	83%	0.831	S	S	*	*			trans	-91.5	160.6	-167.5	47.3	0	0	0	0	113.3
186	S	22.8	Very low	23	Very low	103 Å²	103	167.7 Å²	167.7	72%	0.72	83%	0.827	S	S	*	*			trans	60.2	107	140.7	60.5	0	0	0	0	120.5
187	N	25.4	Very low	23	Very low	162 Å²	162	163 Å²	163	87%	0.866	82%	0.819	S	S	*	*				-169.6	126.7	113.7	-131.3	-19.6	0	0	0	112.5
188	P	22.9	Very low	23	Very low	103 Å²	103	163.1 Å²	163.1	67%	0.669	82%	0.819	S	S	*	*			trans	-107.2	130	173.2	35.4	-23.9	0	0	0	111.3
189	K	23.5	Very low	23.2	Very low	199 Å²	199	163.5 Å²	163.5	87%	0.865	81%	0.814	S	S	*	*			trans	168.5	112.2	153.2	-95	155.2	-171.1	-176.1	0	108.9
190	Y	24.5	Very low	23.4	Very low	238 Å²	238	163.2 Å²	163.2	93%	0.933	81%	0.811	S	S	*	*				169.5	128.4	125.6	-97.8	-78.2	0	0	0	109.5
191	Y	20.3	Very low	23.4	Very low	210 Å²	210	165.7 Å²	165.7	82%	0.824	81%	0.81	S	S	*	*			trans	-81.1	163	-176.3	-112.5	-100.7	0	0	0	112.2
192	N	22.4	Very low	23.6	Very low	126 Å²	126	165.2 Å²	165.2	67%	0.674	81%	0.808	S	S	*	*			trans	92.7	106.5	152.2	-69.1	-30.8	0	0	0	120.5
193	N	21.6	Very low	23.7	Very low	134 Å²	134	162.5 Å²	162.5	72%	0.717	80%	0.802	S	S	*	*				57.4	100.3	127.7	-67.3	-17.5	0	0	0	118.8
194	R	22.9	Very low	24	Very low	247 Å²	247	163.8 Å²	163.8	93%	0.932	81%	0.805	S	S	*	*				-156.9	112.5	126.3	-107.5	169.5	-156.5	176	5.9	110.4	H196	R194-H196 PolarHBondContact O-N 3Å
195	H	21.3	Very low	24.1	Very low	174 Å²	174	166.2 Å²	166.2	81%	0.806	80%	0.797	S	S	*	*			trans	-56.9	121.5	161.7	-75.9	-101.6	0	0	0	109.3
196	H	24.5	Very low	24.3	Very low	190 Å²	190	165.7 Å²	165.7	88%	0.88	80%	0.798	S	S	*	*			trans	172.1	144.1	138.7	-98.8	-71.7	0	0	0	108.9	R194	R194-H196 PolarHBondContact O-N 3Å
197	S	24.8	Very low	24.6	Very low	94 Å²	94	165.2 Å²	165.2	66%	0.657	80%	0.8	S	S	*	*			trans	84.1	72.9	175.4	-145.2	0	0	0	0	115.3	K199	S197-K199 PolarHBondContact O-N 3.38Å
198	L	24.8	Very low	24.6	Very low	171 Å²	171	162.3 Å²	162.3	90%	0.895	78%	0.784	S	S	*	*			trans	-64.9	84.5	154.3	-78.5	163.6	0	0	0	108.5	I200	L198-I200 VanDerWaalsContact C-N 3.26Å; L198-I200 PolarHBondContact O-N 3.32Å
199	K	24.8	Very low	24.8	Very low	178 Å²	178	162.3 Å²	162.3	77%	0.774	79%	0.786	S	S	*	*			trans	-66.5	90.4	161	-70.4	-177.9	178.2	175.1	0	107.3	S197 K201	S197-K199 PolarHBondContact O-N 3.38Å; K199-K201 PolarHBondContact O-N 3.11Å
200	I	26.1	Very low	24.9	Very low	156 Å²	156	164.3 Å²	164.3	80%	0.8	79%	0.789	S	S	*	*			trans	-61	106.8	167.4	-67.4	173.5	0	0	0	106.5	L198 K202	L198-I200 VanDerWaalsContact C-N 3.26Å; L198-I200 PolarHBondContact O-N 3.32Å; I200-K202 PolarHBondContact O-N 3.28Å
201	K	25.8	Very low	24.9	Very low	183 Å²	183	159.5 Å²	159.5	80%	0.796	78%	0.778	S	S	*	*			trans	-57	126.1	177.9	-73.9	177.9	175.6	177.1	0	108.6	K199 T203	K199-K201 PolarHBondContact O-N 3.11Å; K201-T203 PolarHBondContact O-N 3.06Å
202	K	25.2	Very low	25.1	Very low	208 Å²	208	155.8 Å²	155.8	90%	0.904	77%	0.768	S	S	*	*			trans	-49.9	94.2	170.2	-64.1	176.6	176.2	-179.6	0	109.9	I200	I200-K202 PolarHBondContact O-N 3.28Å
203	T	25.3	Very low	25.2	Very low	108 Å²	108	155 Å²	155	66%	0.663	77%	0.772	S	S	*	*			trans	-76.9	123.2	168.4	38.5	0	0	0	0	108.2	K201 Y205	K201-T203 PolarHBondContact O-N 3.06Å; T203-Y205 PolarHBondContact O-N 3.48Å
204	K	29.1	Very low	25.5	Very low	203 Å²	203	154.8 Å²	154.8	88%	0.883	77%	0.77	S	S	*	*			trans	-69.5	62.4	-175.3	-67.8	177.1	173.9	177.9	0	112.8	S206	K204-S206 PolarHBondContact O-N 3.02Å
205	Y	25.5	Very low	25.9	Very low	175 Å²	175	150.5 Å²	150.5	69%	0.686	76%	0.76	S	S	*	*			trans	-93	67.3	167	-72.2	-75.4	0	0	0	110.2	T203 I208	T203-Y205 PolarHBondContact O-N 3.48Å; Y205-I208 HydrophobicContact CD1-CD1 3.95Å; Y205-I208 HydrophobicContact CE1-CD1 4.24Å
206	S	27.6	Very low	26.3	Very low	118 Å²	118	150.5 Å²	150.5	83%	0.825	76%	0.758	S	S	*	*			trans	-101.1	19.2	176.3	69.3	0	0	0	0	114.1	K204	K204-S206 PolarHBondContact O-N 3.02Å
207	A	27.9	Very low	26.7	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	74%	0.742	S	S	*	*	S	Bend	trans	-128.5	-5.7	178.9	0	0	0	0	0	115.8
208	I	26.5	Very low	27	Very low	101 Å²	101	145.5 Å²	145.5	52%	0.518	73%	0.733	S	S	.	*	S	Bend	trans	-99.7	-14.7	-173.3	-60.2	-179.5	0	0	0	113.4	Y205 R210 L211	Y205-I208 HydrophobicContact CD1-CD1 3.95Å; Y205-I208 HydrophobicContact CE1-CD1 4.24Å; I208-R210 PolarHBondContact O-N 3.37Å; I208-L211 PolarHBondContact O-N 3.03Å
209	S	26.5	Very low	27.3	Very low	103 Å²	103	145 Å²	145	72%	0.72	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	7.3	-174.2	-43	0	0	0	0	116
210	R	26.6	Very low	27.8	Very low	242 Å²	242	139.5 Å²	139.5	91%	0.913	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	1.8	174.2	-74.4	-171.1	-169.3	156.3	4.8	114.9	I208	I208-R210 PolarHBondContact O-N 3.37Å
211	L	23.5	Very low	28.3	Very low	137 Å²	137	137.4 Å²	137.4	72%	0.717	71%	0.705	S	S	*	*			trans	-115.7	12.5	-176.9	-69.3	176.2	0	0	0	115.5	I208 S213	I208-L211 PolarHBondContact O-N 3.03Å; L211-S213 PolarHBondContact O-N 3Å
212	H	24.6	Very low	28.7	Very low	132 Å²	132	135.8 Å²	135.8	61%	0.611	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	71.5	-179.4	-80.7	-85.1	0	0	0	113.2	F216	H212-F216 AromaticContact ND1-CE2 3.86Å
213	S	24.9	Very low	29.4	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.1	10.9	153.6	65	0	0	0	0	114.7	L211	L211-S213 PolarHBondContact O-N 3Å
214	I	27.9	Very low	30.2	Very low	131 Å²	131	132.6 Å²	132.6	67%	0.672	67%	0.674	S	S	*	*	S	Bend	trans	-105.9	110.1	178.9	-60.6	172.7	0	0	0	107.7
215	H	30.2	Very low	30.7	Very low	157 Å²	157	129.3 Å²	129.3	73%	0.727	66%	0.66	S	S	*	*			trans	42.4	82.9	161.1	-75.3	-84.6	0	0	0	116.5	I217	H215-I217 PolarHBondContact O-N 2.83Å
216	F	29.6	Very low	31.3	Very low	173 Å²	173	126.6 Å²	126.6	76%	0.759	65%	0.649	S	S	*	*			trans	-69.3	80.7	156.8	-113	-93.8	0	0	0	108.8	H212 P218	H212-F216 AromaticContact ND1-CE2 3.86Å; F216-P218 WeakPolarHBondContact O-CD 3.4Å
217	I	33.2	Very low	32.1	Very low	106 Å²	106	125 Å²	125	54%	0.544	63%	0.631	S	S	.	*			trans	-77.1	112	147.8	-63.1	173.9	0	0	0	103.6	H215 H219 F221	H215-I217 PolarHBondContact O-N 2.83Å; I217-H219 PolarHBondContact O-N 3.44Å; I217-H219 VanDerWaalsContact O-N 3.16Å; I217-F221 HydrophobicContact CG2-CB 3.78Å
218	P	30.6	Very low	32.6	Very low	73 Å²	73	124.7 Å²	124.7	47%	0.474	61%	0.614	S	S	.	*			trans	-52.1	128.1	-179.8	-24.9	33.8	0	0	0	109	F216 G220 F221	F216-P218 WeakPolarHBondContact O-CD 3.4Å; P218-G220 PolarHBondContact O-N 2.92Å; P218-F221 PolarHBondContact O-N 2.76Å
219	H	31.1	Very low	33.2	Very low	162 Å²	162	124 Å²	124	75%	0.75	61%	0.61	S	S	*	*	H	α-helix	trans	-51.8	-16.4	-173.1	-115.9	-88.8	0	0	0	114.4	I217 F221	I217-H219 PolarHBondContact O-N 3.44Å; I217-H219 VanDerWaalsContact O-N 3.16Å; H219-F221 VanDerWaalsContact C-N 3.34Å
220	G	35.7	Very low	34.1	Very low	61 Å²	61	125.2 Å²	125.2	63%	0.629	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-25.4	171	0	0	0	0	0	115.2	P218	P218-G220 PolarHBondContact O-N 2.92Å
221	F	36.4	Very low	34.8	Very low	112 Å²	112	119.6 Å²	119.6	49%	0.491	59%	0.585	S	S	.	*	H	α-helix	trans	-80.2	-34.2	179	-87.7	-87	0	0	0	113.1	I217 P218 H219 N223 Y224 F225	I217-F221 HydrophobicContact CG2-CB 3.78Å; P218-F221 PolarHBondContact O-N 2.76Å; H219-F221 VanDerWaalsContact C-N 3.34Å; F221-N223 PolarHBondContact O-N 3.18Å; F221-Y224 PolarHBondContact O-N 3.05Å; F221-F225 PolarHBondContact O-N 2.8Å
222	Y	34.8	Very low	35.5	Very low	150 Å²	150	115.7 Å²	115.7	59%	0.588	57%	0.569	S	S	*	*	H	α-helix	trans	-62.6	-46.3	-178.7	-166.9	-91	0	0	0	110.7	Y224 F225 Y226	Y222-Y224 VanDerWaalsContact C-N 3.33Å; Y222-Y224 PolarHBondContact O-N 3.3Å; Y222-F225 PolarHBondContact O-N 3.38Å; Y222-Y226 AromaticContact CE1-CD2 3.94Å; Y222-Y226 HydrophobicContact CE1-CD2 3.94Å; Y222-Y226 HydrophobicContact CE1-CG 4.44Å; Y222-Y226 WeakPolarHBondContact O-CB 3.26Å; Y222-Y226 PolarHBondContact O-N 3.43Å
223	N	40.2	Very low	36.3	Very low	109 Å²	109	113.8 Å²	113.8	58%	0.583	56%	0.564	S	S	*	*	H	α-helix	trans	-63.2	-39	176.2	-74.6	-18	0	0	0	112.1	F221 D227	F221-N223 PolarHBondContact O-N 3.18Å; N223-D227 VanDerWaalsContact O-CB 3.26Å; N223-D227 WeakPolarHBondContact O-CB 3.2Å; N223-D227 PolarHBondContact O-N 2.77Å
224	Y	41.9	Very low	37.2	Very low	139 Å²	139	115.7 Å²	115.7	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-64.8	-49.7	177.2	-179	-99.7	0	0	0	112	F221 Y222 D227 Q228	F221-Y224 PolarHBondContact O-N 3.05Å; Y222-Y224 VanDerWaalsContact C-N 3.33Å; Y222-Y224 PolarHBondContact O-N 3.3Å; Y224-D227 PolarHBondContact O-N 3.14Å; Y224-Q228 HydrophobicContact CD1-CG 4.3Å; Y224-Q228 HydrophobicContact CE1-CG 3.97Å; Y224-Q228 HydrophobicContact CE2-CG 4.36Å; Y224-Q228 VanDerWaalsContact O-CG 3.24Å; Y224-Q228 WeakPolarHBondContact O-CG 3.44Å; Y224-Q228 PolarHBondContact O-N 2.85Å
225	F	39.9	Very low	37.8	Very low	134 Å²	134	115.4 Å²	115.4	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-65.4	-41.5	179.5	-119.5	-83.5	0	0	0	111.6	F221 Y222 Q228 I229	F221-F225 PolarHBondContact O-N 2.8Å; Y222-F225 PolarHBondContact O-N 3.38Å; F225-Q228 PolarHBondContact O-N 3.27Å; F225-I229 HydrophobicContact CD1-CD1 4.22Å; F225-I229 VanDerWaalsContact O-CG1 3.26Å; F225-I229 WeakPolarHBondContact O-CG1 3.21Å; F225-I229 PolarHBondContact O-N 3.28Å
226	Y	38.1	Very low	38.2	Very low	119 Å²	119	112.9 Å²	112.9	47%	0.467	55%	0.547	S	S	.	.	H	α-helix	trans	-65.1	-39.1	177.2	-155.8	-87.9	0	0	0	111.5	Y222 I229 K230	Y222-Y226 AromaticContact CE1-CD2 3.94Å; Y222-Y226 HydrophobicContact CE1-CD2 3.94Å; Y222-Y226 HydrophobicContact CE1-CG 4.44Å; Y222-Y226 WeakPolarHBondContact O-CB 3.26Å; Y222-Y226 PolarHBondContact O-N 3.43Å; Y226-I229 PolarHBondContact O-N 2.95Å; Y226-K230 HydrophobicContact CD1-CD 4.4Å; Y226-K230 HydrophobicContact CE1-CD 4.25Å; Y226-K230 HydrophobicContact CE1-CG 4.47Å; Y226-K230 WeakPolarHBondContact O-CB 3.36Å; Y226-K230 PolarHBondContact O-N 3.36Å
227	D	44.5	Very low	39.1	Very low	84 Å²	84	112.1 Å²	112.1	45%	0.449	54%	0.543	S	S	.	.	H	α-helix	trans	-65	-39.1	172.3	-107.6	13.5	0	0	0	112.2	N223 Y224 I229 K230 K231	N223-D227 VanDerWaalsContact O-CB 3.26Å; N223-D227 WeakPolarHBondContact O-CB 3.2Å; N223-D227 PolarHBondContact O-N 2.77Å; Y224-D227 PolarHBondContact O-N 3.14Å; D227-I229 VanDerWaalsContact C-N 3.35Å; D227-K230 PolarHBondContact O-N 3.33Å; D227-K231 WeakPolarHBondContact O-CB 3.43Å; D227-K231 VanDerWaalsContact O-CG 3.23Å; D227-K231 WeakPolarHBondContact O-CG 3.18Å; D227-K231 PolarHBondContact O-N 3.49Å
228	Q	38.1	Very low	39.5	Very low	86 Å²	86	115.5 Å²	115.5	40%	0.402	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-39.5	176.3	-68.8	-59	101.4	0	0	111.4	Y224 F225 K231 S232	Y224-Q228 HydrophobicContact CD1-CG 4.3Å; Y224-Q228 HydrophobicContact CE1-CG 3.97Å; Y224-Q228 HydrophobicContact CE2-CG 4.36Å; Y224-Q228 VanDerWaalsContact O-CG 3.24Å; Y224-Q228 WeakPolarHBondContact O-CG 3.44Å; Y224-Q228 PolarHBondContact O-N 2.85Å; F225-Q228 PolarHBondContact O-N 3.27Å; Q228-K231 PolarHBondContact O-N 3Å; Q228-S232 PolarHBondContact O-N 3.32Å; Q228-S232 VanDerWaalsContact O-N 3.1Å; Q228-S232 PolarHBondContact O-OG 3.49Å
229	I	39.7	Very low	39.7	Very low	85 Å²	85	117.6 Å²	117.6	44%	0.436	55%	0.552	S	S	.	*	H	α-helix	trans	-67.9	-45.1	175.5	-66.4	165.7	0	0	0	110.8	F225 Y226 D227 K231 S232 D233	F225-I229 HydrophobicContact CD1-CD1 4.22Å; F225-I229 VanDerWaalsContact O-CG1 3.26Å; F225-I229 WeakPolarHBondContact O-CG1 3.21Å; F225-I229 PolarHBondContact O-N 3.28Å; Y226-I229 PolarHBondContact O-N 2.95Å; D227-I229 VanDerWaalsContact C-N 3.35Å; I229-K231 VanDerWaalsContact C-N 3.29Å; I229-K231 PolarHBondContact O-N 3.09Å; I229-S232 WeakPolarHBondContact CA-OG 3.29Å; I229-S232 PolarHBondContact O-N 3.01Å; I229-S232 PolarHBondContact O-OG 2.87Å; I229-D233 PolarHBondContact O-N 3.15Å
230	K	44	Very low	40	Very low	129 Å²	129	116.7 Å²	116.7	56%	0.561	55%	0.546	S	S	*	.	H	α-helix	trans	-59.6	-38.4	175.2	-112.2	-178.4	175.8	178.9	0	112.4	Y226 D227 S232 D233 H234	Y226-K230 HydrophobicContact CD1-CD 4.4Å; Y226-K230 HydrophobicContact CE1-CD 4.25Å; Y226-K230 HydrophobicContact CE1-CG 4.47Å; Y226-K230 WeakPolarHBondContact O-CB 3.36Å; Y226-K230 PolarHBondContact O-N 3.36Å; D227-K230 PolarHBondContact O-N 3.33Å; K230-S232 VanDerWaalsContact C-N 3.34Å; K230-D233 PolarHBondContact O-N 2.69Å; K230-H234 PolarHBondContact O-N 3.5Å
231	K	41	Very low	40.5	Very low	124 Å²	124	117.7 Å²	117.7	54%	0.539	54%	0.54	S	S	.	.	H	α-helix	trans	-67.3	-34.2	175.2	-75.2	171	-171.6	167.4	0	111.9	D227 Q228 I229 Q235	D227-K231 WeakPolarHBondContact O-CB 3.43Å; D227-K231 VanDerWaalsContact O-CG 3.23Å; D227-K231 WeakPolarHBondContact O-CG 3.18Å; D227-K231 PolarHBondContact O-N 3.49Å; Q228-K231 PolarHBondContact O-N 3Å; I229-K231 VanDerWaalsContact C-N 3.29Å; I229-K231 PolarHBondContact O-N 3.09Å; K231-Q235 WeakPolarHBondContact O-CG 3.48Å
232	S	38.7	Very low	40.7	Very low	55 Å²	55	116.7 Å²	116.7	39%	0.385	54%	0.54	S	S	.	.	H	α-helix	trans	-71.5	-35.1	172.1	52.9	0	0	0	0	113.4	Q228 I229 K230 H234 Q235 I236	Q228-S232 PolarHBondContact O-N 3.32Å; Q228-S232 VanDerWaalsContact O-N 3.1Å; Q228-S232 PolarHBondContact O-OG 3.49Å; I229-S232 WeakPolarHBondContact CA-OG 3.29Å; I229-S232 PolarHBondContact O-N 3.01Å; I229-S232 PolarHBondContact O-OG 2.87Å; K230-S232 VanDerWaalsContact C-N 3.34Å; S232-H234 PolarHBondContact O-N 3.36Å; S232-Q235 WeakPolarHBondContact O-CB 3.14Å; S232-Q235 PolarHBondContact O-N 2.81Å; S232-Q235 VanDerWaalsContact O-N 3.14Å; S232-I236 WeakPolarHBondContact O-CG1 3.48Å; S232-I236 PolarHBondContact O-N 3.41Å
233	D	40.8	Very low	40.9	Very low	92 Å²	92	113.9 Å²	113.9	49%	0.492	53%	0.534	S	S	.	.	H	α-helix	trans	-66.4	-37	-179.3	-92.1	-16.8	0	0	0	112.9	I229 K230 Q235 I236 K237	I229-D233 PolarHBondContact O-N 3.15Å; K230-D233 PolarHBondContact O-N 2.69Å; D233-Q235 PolarHBondContact O-N 2.97Å; D233-I236 PolarHBondContact O-N 3.41Å; D233-K237 PolarHBondContact O-N 3.06Å
234	H	45	Very low	40.9	Very low	149 Å²	149	113.1 Å²	113.1	69%	0.69	53%	0.53	S	S	*	.	H	α-helix	trans	-67.3	-28.8	176	-127.4	-39.5	0	0	0	112.5	K230 S232 R238	K230-H234 PolarHBondContact O-N 3.5Å; S232-H234 PolarHBondContact O-N 3.36Å; H234-R238 PolarHBondContact O-N 3.23Å
235	Q	39.3	Very low	41.1	Very low	124 Å²	124	113.3 Å²	113.3	58%	0.579	53%	0.533	S	S	*	.	H	α-helix	trans	-72.9	-42	174.1	-68.8	-77.8	-4.9	0	0	111.3	K231 S232 D233 K237 R238 H239	K231-Q235 WeakPolarHBondContact O-CG 3.48Å; S232-Q235 WeakPolarHBondContact O-CB 3.14Å; S232-Q235 PolarHBondContact O-N 2.81Å; S232-Q235 VanDerWaalsContact O-N 3.14Å; D233-Q235 PolarHBondContact O-N 2.97Å; Q235-K237 VanDerWaalsContact C-N 3.34Å; Q235-K237 PolarHBondContact O-N 2.94Å; Q235-R238 PolarHBondContact O-N 2.9Å; Q235-H239 PolarHBondContact O-N 3.13Å
236	I	40.4	Very low	41	Very low	105 Å²	105	112.4 Å²	112.4	54%	0.538	53%	0.534	S	S	.	.	H	α-helix	trans	-62.3	-43.4	175.5	-65.1	168.1	0	0	0	110	S232 D233 R238 H239 K240	S232-I236 WeakPolarHBondContact O-CG1 3.48Å; S232-I236 PolarHBondContact O-N 3.41Å; D233-I236 PolarHBondContact O-N 3.41Å; I236-R238 VanDerWaalsContact C-N 3.28Å; I236-R238 PolarHBondContact O-N 3.44Å; I236-H239 PolarHBondContact O-N 3.28Å; I236-K240 PolarHBondContact O-N 3.1Å
237	K	47.4	Very low	40.8	Very low	156 Å²	156	112.6 Å²	112.6	68%	0.678	54%	0.543	S	S	*	.	H	α-helix	trans	-59.3	-39.7	176.1	-118.5	178.8	-177.7	178.9	0	112.1	D233 Q235 K240 T241	D233-K237 PolarHBondContact O-N 3.06Å; Q235-K237 VanDerWaalsContact C-N 3.34Å; Q235-K237 PolarHBondContact O-N 2.94Å; K237-K240 PolarHBondContact O-N 3.37Å; K237-T241 PolarHBondContact O-N 3.19Å; K237-T241 VanDerWaalsContact O-N 3.16Å; K237-T241 PolarHBondContact O-OG1 3.5Å
238	R	41.2	Very low	40.5	Very low	178 Å²	178	113.9 Å²	113.9	67%	0.672	55%	0.554	S	S	*	*	H	α-helix	trans	-73.3	-34.9	178.4	-159	176.3	-177.3	139.2	0.6	112.8	H234 Q235 I236 K240 T241 L242	H234-R238 PolarHBondContact O-N 3.23Å; Q235-R238 PolarHBondContact O-N 2.9Å; I236-R238 VanDerWaalsContact C-N 3.28Å; I236-R238 PolarHBondContact O-N 3.44Å; R238-K240 VanDerWaalsContact C-N 3.34Å; R238-T241 PolarHBondContact O-N 3.02Å; R238-L242 PolarHBondContact O-N 2.7Å
239	H	35.2	Very low	40.2	Very low	116 Å²	116	114.9 Å²	114.9	54%	0.537	57%	0.566	S	S	.	*	H	α-helix	trans	-65	-38.9	170.9	-95.5	46.5	0	0	0	111.5	Q235 I236 T241 L242 I243	Q235-H239 PolarHBondContact O-N 3.13Å; I236-H239 PolarHBondContact O-N 3.28Å; H239-T241 PolarHBondContact O-N 2.7Å; H239-L242 PolarHBondContact O-N 2.74Å; H239-I243 VanDerWaalsContact O-CG1 3.28Å; H239-I243 WeakPolarHBondContact O-CG1 3.45Å; H239-I243 PolarHBondContact O-N 2.8Å
240	K	38.2	Very low	39.6	Very low	144 Å²	144	116.8 Å²	116.8	63%	0.626	58%	0.582	S	S	*	*	H	α-helix	trans	-62.4	-43.2	175.7	-143.5	174.6	-174.7	-179.3	0	111.7	I236 K237 R238 L242 I243 D244	I236-K240 PolarHBondContact O-N 3.1Å; K237-K240 PolarHBondContact O-N 3.37Å; R238-K240 VanDerWaalsContact C-N 3.34Å; K240-L242 VanDerWaalsContact C-N 3.35Å; K240-L242 PolarHBondContact O-N 3.24Å; K240-I243 PolarHBondContact O-N 3.43Å; K240-D244 VanDerWaalsContact O-CG 3.26Å; K240-D244 PolarHBondContact O-N 3.27Å
241	T	46.1	Very low	39	Very low	82 Å²	82	117.4 Å²	117.4	50%	0.503	59%	0.59	S	S	.	*	H	α-helix	trans	-68.7	-30.5	176.6	-15.3	0	0	0	0	113.6	K237 R238 H239 K245	K237-T241 PolarHBondContact O-N 3.19Å; K237-T241 VanDerWaalsContact O-N 3.16Å; K237-T241 PolarHBondContact O-OG1 3.5Å; R238-T241 PolarHBondContact O-N 3.02Å; H239-T241 PolarHBondContact O-N 2.7Å; T241-K245 PolarHBondContact O-N 3.1Å
242	L	40.5	Very low	38.4	Very low	91 Å²	91	118.7 Å²	118.7	48%	0.476	60%	0.603	S	S	.	*	H	α-helix	trans	-74.9	-37.5	176.3	-90.6	163.8	0	0	0	112.2	R238 H239 K240 D244 K245 L246	R238-L242 PolarHBondContact O-N 2.7Å; H239-L242 PolarHBondContact O-N 2.74Å; K240-L242 VanDerWaalsContact C-N 3.35Å; K240-L242 PolarHBondContact O-N 3.24Å; L242-D244 VanDerWaalsContact C-N 3.35Å; L242-K245 PolarHBondContact O-N 2.72Å; L242-L246 WeakPolarHBondContact O-CG 3.28Å; L242-L246 PolarHBondContact O-N 2.96Å
243	I	38.2	Very low	37.8	Very low	91 Å²	91	123.9 Å²	123.9	47%	0.467	63%	0.626	S	S	.	*	H	α-helix	trans	-66	-41.8	173.3	-67.1	167.7	0	0	0	109.8	H239 K240 K245 L246 N247	H239-I243 VanDerWaalsContact O-CG1 3.28Å; H239-I243 WeakPolarHBondContact O-CG1 3.45Å; H239-I243 PolarHBondContact O-N 2.8Å; K240-I243 PolarHBondContact O-N 3.43Å; I243-K245 VanDerWaalsContact C-N 3.32Å; I243-K245 PolarHBondContact O-N 3.1Å; I243-L246 PolarHBondContact O-N 3.25Å; I243-N247 PolarHBondContact O-N 2.95Å
244	D	40.5	Very low	36.9	Very low	93 Å²	93	125.3 Å²	125.3	50%	0.497	64%	0.639	S	S	.	*	H	α-helix	trans	-64.4	-36.6	175.6	-68.2	-21.3	0	0	0	111.8	K240 L242 N247 T248	K240-D244 VanDerWaalsContact O-CG 3.26Å; K240-D244 PolarHBondContact O-N 3.27Å; L242-D244 VanDerWaalsContact C-N 3.35Å; D244-N247 PolarHBondContact O-N 2.88Å; D244-T248 PolarHBondContact O-N 2.76Å; D244-T248 PolarHBondContact O-OG1 2.99Å
245	K	46.1	Very low	36.1	Very low	142 Å²	142	123.2 Å²	123.2	62%	0.617	64%	0.636	S	S	*	*	H	α-helix	trans	-69	-35.4	172.6	-83.1	-172.9	175.4	-172.4	0	113.4	T241 L242 I243 N247 T248 T249	T241-K245 PolarHBondContact O-N 3.1Å; L242-K245 PolarHBondContact O-N 2.72Å; I243-K245 VanDerWaalsContact C-N 3.32Å; I243-K245 PolarHBondContact O-N 3.1Å; K245-N247 VanDerWaalsContact C-N 3.31Å; K245-T248 PolarHBondContact O-N 2.92Å; K245-T248 PolarHBondContact O-OG1 3.3Å; K245-T248 VanDerWaalsContact O-OG1 3.07Å; K245-T249 PolarHBondContact O-N 3.15Å; K245-T249 PolarHBondContact O-OG1 2.81Å
246	L	37.3	Very low	35.5	Very low	116 Å²	116	123.3 Å²	123.3	61%	0.607	64%	0.641	S	S	*	*	H	α-helix	trans	-68	-34.8	176.5	-80.6	166.3	0	0	0	111.4	L242 I243 T248 T249	L242-L246 WeakPolarHBondContact O-CG 3.28Å; L242-L246 PolarHBondContact O-N 2.96Å; I243-L246 PolarHBondContact O-N 3.25Å; L246-T248 VanDerWaalsContact C-N 3.27Å; L246-T248 PolarHBondContact O-N 3.06Å; L246-T249 PolarHBondContact O-N 3.26Å
247	N	34.4	Very low	34.6	Very low	123 Å²	123	124.7 Å²	124.7	66%	0.658	65%	0.649	S	S	*	*	H	α-helix	trans	-70.8	-20.9	175.1	-71.7	-16.9	0	0	0	113.5	I243 D244 K245	I243-N247 PolarHBondContact O-N 2.95Å; D244-N247 PolarHBondContact O-N 2.88Å; K245-N247 VanDerWaalsContact C-N 3.31Å
248	T	37.8	Very low	33.6	Very low	110 Å²	110	123.1 Å²	123.1	68%	0.675	65%	0.653	S	S	*	*	H	α-helix	trans	-92.6	-6.6	174.2	56.4	0	0	0	0	114.8	D244 K245 L246	D244-T248 PolarHBondContact O-N 2.76Å; D244-T248 PolarHBondContact O-OG1 2.99Å; K245-T248 PolarHBondContact O-N 2.92Å; K245-T248 PolarHBondContact O-OG1 3.3Å; K245-T248 VanDerWaalsContact O-OG1 3.07Å; L246-T248 VanDerWaalsContact C-N 3.27Å; L246-T248 PolarHBondContact O-N 3.06Å
249	T	32	Very low	32.6	Very low	107 Å²	107	120 Å²	120	66%	0.656	65%	0.654	S	S	*	*	S	Bend	trans	-107.4	15.7	-174.7	-31	0	0	0	0	114.1	K245 L246	K245-T249 PolarHBondContact O-N 3.15Å; K245-T249 PolarHBondContact O-OG1 2.81Å; L246-T249 PolarHBondContact O-N 3.26Å
250	T	28.5	Very low	32.1	Very low	125 Å²	125	119.8 Å²	119.8	77%	0.767	66%	0.661	S	S	*	*	S	Bend	trans	-98.1	13.9	177.1	-49.9	0	0	0	0	113.3
251	I	30.2	Very low	31.5	Very low	143 Å²	143	119 Å²	119	73%	0.733	66%	0.663	S	S	*	*	S	Bend	trans	-118.9	113.8	169.8	-51.9	177.9	0	0	0	106.9
252	N	29.9	Very low	30.5	Very low	151 Å²	151	121.4 Å²	121.4	81%	0.807	67%	0.673	S	S	*	*			trans	124.9	69.8	167.5	-60	-18	0	0	0	113.9	T254	N252-T254 PolarHBondContact O-N 2.76Å
253	N	24.2	Very low	29.7	Very low	164 Å²	164	122 Å²	122	88%	0.877	69%	0.685	S	S	*	*			trans	-73.1	106	148.9	-77.7	-24.7	0	0	0	108.3
254	T	23.6	Very low	29.1	Very low	122 Å²	122	122.5 Å²	122.5	75%	0.748	70%	0.696	S	S	*	*			trans	-166.1	144.2	146.8	-11.1	0	0	0	0	112.7	N252	N252-T254 PolarHBondContact O-N 2.76Å
255	T	26.3	Very low	28.3	Very low	104 Å²	104	123.4 Å²	123.4	64%	0.638	71%	0.71	S	S	*	*			trans	81.6	115.4	147.1	35.7	0	0	0	0	121
256	N	27.3	Very low	27.5	Very low	126 Å²	126	123.9 Å²	123.9	67%	0.674	72%	0.719	S	S	*	*				80.8	103.1	129.2	-57.5	-10.4	0	0	0	116.6
257	N	22.8	Very low	27	Very low	134 Å²	134	123.6 Å²	123.6	72%	0.717	73%	0.725	S	S	*	*				90.8	143.5	84.7	-83.9	-9	0	0	0	112.9
258	T	24.5	Very low	26.9	Very low	124 Å²	124	122.4 Å²	122.4	76%	0.761	73%	0.726	S	S	*	*			trans	72.6	104.4	149.8	45.2	0	0	0	0	118.3
259	T	21.6	Very low	26.5	Very low	112 Å²	112	123.3 Å²	123.3	69%	0.687	73%	0.731	S	S	*	*				97.1	145.3	84.8	-28.2	0	0	0	0	111.4
260	T	24.4	Very low	26.3	Very low	112 Å²	112	127.4 Å²	127.4	69%	0.687	74%	0.74	S	S	*	*			trans	73.6	147.8	160	72.1	0	0	0	0	116.2
261	N	25.1	Very low	26.3	Very low	126 Å²	126	131.1 Å²	131.1	67%	0.674	75%	0.745	S	S	*	*			cis	-171.3	156.3	-9.9	-102.7	-13.9	0	0	0	105.6
262	N	25.6	Very low	26.2	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	75%	0.753	S	S	*	*			trans	69	111.3	141.5	-64.9	-10	0	0	0	120.8
263	S	24.4	Very low	25.9	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	76%	0.755	S	S	*	*				93.9	133.9	110	72.8	0	0	0	0	120.5
264	S	25.2	Very low	25.9	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	75%	0.751	S	S	*	*			trans	69.7	88.8	149	61.6	0	0	0	0	119
265	S	23.9	Very low	26	Very low	112 Å²	112	140.3 Å²	140.3	78%	0.783	76%	0.758	S	S	*	*				-0.9	120.4	124.4	54.1	0	0	0	0	117.9
266	N	28	Very low	25.9	Very low	152 Å²	152	143.2 Å²	143.2	81%	0.813	76%	0.764	S	S	*	*			trans	-138	103	148	-145.5	-20.8	0	0	0	109.5
267	P	27.6	Very low	25.9	Very low	111 Å²	111	146.8 Å²	146.8	72%	0.721	77%	0.774	S	S	*	*			trans	-102.9	78.4	-171.6	37.3	-28.7	0	0	0	111.3
268	S	32	Very low	25.9	Very low	98 Å²	98	144.6 Å²	144.6	69%	0.685	77%	0.769	S	S	*	*	S	Bend	trans	-139	-13.7	168.6	78.8	0	0	0	0	116
269	V	30	Very low	25.9	Very low	129 Å²	129	146.8 Å²	146.8	78%	0.782	77%	0.768	S	S	*	*	S	Bend	trans	-98.3	-5.4	177.9	-170.4	0	0	0	0	112.7	K271	V269-K271 VanDerWaalsContact C-N 3.25Å; V269-K271 PolarHBondContact O-N 3.49Å; V269-K271 VanDerWaalsContact O-N 3.17Å
270	K	27.3	Very low	26.1	Very low	192 Å²	192	147.6 Å²	147.6	84%	0.835	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	3.5	-178.1	-111.2	179.8	-178.6	177	0	115.7
271	K	28.3	Very low	26.2	Very low	204 Å²	204	152.6 Å²	152.6	89%	0.887	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-0.9	-172.1	-104.3	-178.4	-179.2	175.8	0	117.6	V269	V269-K271 VanDerWaalsContact C-N 3.25Å; V269-K271 PolarHBondContact O-N 3.49Å; V269-K271 VanDerWaalsContact O-N 3.17Å
272	Q	27.7	Very low	26.2	Very low	190 Å²	190	154.9 Å²	154.9	89%	0.888	78%	0.781	S	S	*	*	S	Bend	trans	-116.5	-12.1	178	-79.9	-177.2	-4.1	0	0	116.1
273	F	23.8	Very low	26.2	Very low	194 Å²	194	155.2 Å²	155.2	85%	0.851	78%	0.783	S	S	*	*	S	Bend	trans	-103.2	5.8	-166.3	-136.3	-96.3	0	0	0	117.4
274	L	24.3	Very low	26.1	Very low	151 Å²	151	162 Å²	162	79%	0.791	79%	0.793	S	S	*	*			trans	-137.1	39.7	-170.2	-87.1	158.2	0	0	0	115.4
275	R	25.5	Very low	26.2	Very low	238 Å²	238	166 Å²	166	90%	0.898	80%	0.797	S	S	*	*	S	Bend	trans	-97.4	-1.9	171.3	-88.3	-170	-168.7	-114.1	3	116.1
276	H	25.2	Very low	26.1	Very low	164 Å²	164	169.5 Å²	169.5	76%	0.759	81%	0.806	S	S	*	*	S	Bend	trans	-120.7	100.3	-178.5	-78.4	92	0	0	0	110.6
277	F	25.9	Very low	25.9	Very low	201 Å²	201	166 Å²	166	88%	0.882	79%	0.793	S	S	*	*			trans	69.8	86.6	160.1	-55.8	-79.4	0	0	0	118.3
278	S	23.9	Very low	25.6	Very low	89 Å²	89	166 Å²	166	62%	0.622	80%	0.796	S	S	*	*			trans	-146.2	109.3	140	-173.9	0	0	0	0	109.2
279	F	23.4	Very low	25.2	Very low	169 Å²	169	166.1 Å²	166.1	74%	0.741	80%	0.797	S	S	*	*			trans	-114.7	72.9	158.5	-89.1	-84.4	0	0	0	105.9
280	I	26.6	Very low	24.8	Very low	129 Å²	129	168.7 Å²	168.7	66%	0.662	81%	0.806	S	S	*	*			trans	-84.6	117	162	-67.9	-168.9	0	0	0	107	H282	I280-H282 PolarHBondContact O-N 2.81Å
281	Y	25.8	Very low	24.6	Very low	217 Å²	217	166.5 Å²	166.5	85%	0.851	80%	0.802	S	S	*	*			trans	-60.3	112.4	171.6	-124.9	-99.6	0	0	0	108.6
282	H	26.1	Very low	24.4	Very low	175 Å²	175	161.7 Å²	161.7	81%	0.81	79%	0.794	S	S	*	*			trans	-102.6	101.8	160	-77.1	-72.7	0	0	0	106.6	I280	I280-H282 PolarHBondContact O-N 2.81Å
283	D	24.6	Very low	24.1	Very low	139 Å²	139	158 Å²	158	74%	0.743	79%	0.789	S	S	*	*			trans	-144.8	79.4	158.1	-137.6	-11.8	0	0	0	109.6
284	R	23.9	Very low	24	Very low	249 Å²	249	153.8 Å²	153.8	94%	0.94	78%	0.784	S	S	*	*			trans	-129	81.6	164	-98.3	-169.8	169.4	-167.6	-2.1	106.9
285	K	26	Very low	23.8	Very low	183 Å²	183	152 Å²	152	80%	0.796	78%	0.784	S	S	*	*			trans	-130	70.6	156.9	-125.1	-175.1	-177.2	-172.7	0	109.1	S287	K285-S287 VanDerWaalsContact C-N 3.32Å; K285-S287 PolarHBondContact O-N 3.45Å
286	L	22.3	Very low	23.9	Very low	185 Å²	185	146.6 Å²	146.6	97%	0.969	78%	0.778	S	S	*	*			trans	-78	91.4	149.1	-85.9	159.5	0	0	0	106.2
287	S	23.2	Very low	23.7	Very low	78 Å²	78	143.8 Å²	143.8	55%	0.545	78%	0.777	S	S	.	*			trans	-117.7	94.4	158.4	60.8	0	0	0	0	107.6	K285	K285-S287 VanDerWaalsContact C-N 3.32Å; K285-S287 PolarHBondContact O-N 3.45Å
288	S	22.1	Very low	23.6	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	78%	0.778	S	S	*	*				38.7	93.9	129.9	61.2	0	0	0	0	117
289	S	23.8	Very low	23.5	Very low	102 Å²	102	139.1 Å²	139.1	71%	0.713	78%	0.778	S	S	*	*			trans	-166	68.2	138.6	60.4	0	0	0	0	109.7	L291	S289-L291 PolarHBondContact O-N 2.94Å
290	L	21.5	Very low	23.7	Very low	183 Å²	183	139.2 Å²	139.2	96%	0.958	79%	0.786	S	S	*	*			trans	-73.7	80.5	144.8	-80.4	162	0	0	0	105.8
291	L	23.7	Very low	23.4	Very low	145 Å²	145	137.7 Å²	137.7	76%	0.759	79%	0.787	S	S	*	*			trans	-136.8	128.4	171.5	-81.8	169.4	0	0	0	108.7	S289	S289-L291 PolarHBondContact O-N 2.94Å
292	S	23.8	Very low	23.4	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	79%	0.787	S	S	*	*			trans	61.8	105.3	169.2	59.2	0	0	0	0	116.5
293	S	20.3	Very low	23.2	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	77%	0.773	S	S	*	*				50.1	97.1	59.4	81.1	0	0	0	0	114
294	S	22.7	Very low	23.5	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	78%	0.781	S	S	*	*			trans	164.8	104.8	141.3	34.7	0	0	0	0	108.5
295	S	20.3	Very low	23.4	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	77%	0.774	S	S	*	*				49.9	86.3	78.5	67.1	0	0	0	0	115.2
296	T	26.4	Very low	23.4	Very low	125 Å²	125	127 Å²	127	77%	0.767	77%	0.771	S	S	*	*			trans	-154.9	100.1	149.3	53.2	0	0	0	0	106.7
297	S	20.5	Very low	23.6	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	76%	0.763	S	S	*	*				50	136.1	79.7	77.9	0	0	0	0	114.8
298	S	24.6	Very low	23.7	Very low	130 Å²	130	129.9 Å²	129.9	91%	0.909	78%	0.775	S	S	*	*			trans	82.5	132.6	179.3	79.9	0	0	0	0	113.9
299	G	22.1	Very low	23.7	Very low	61 Å²	61	133.5 Å²	133.5	63%	0.629	78%	0.776	S	S	*	*			cis	163.5	174.4	7.7	0	0	0	0	0	107.8
300	L	27.8	Very low	23.7	Very low	172 Å²	172	134.9 Å²	134.9	90%	0.901	77%	0.774	S	S	*	*			trans	85.1	95.3	171.7	-46.7	171.8	0	0	0	113.6
301	S	19.8	Very low	23.8	Very low	97 Å²	97	130.3 Å²	130.3	68%	0.678	76%	0.763	S	S	*	*				57.1	105.2	65	-169.3	0	0	0	0	113
302	Y	26.9	Very low	23.9	Very low	216 Å²	216	132.9 Å²	132.9	85%	0.847	77%	0.769	S	S	*	*				-166.6	127.6	109.5	-121.1	-93.8	0	0	0	111.4
303	S	21.9	Very low	23.8	Very low	75 Å²	75	135.6 Å²	135.6	52%	0.524	77%	0.77	S	S	.	*			trans	-58.1	140.5	168.5	48.3	0	0	0	0	113.1
304	N	29.8	Very low	24.3	Very low	170 Å²	170	138.2 Å²	138.2	91%	0.909	78%	0.775	S	S	*	*			trans	-131.1	111	142.3	-96.6	-31.2	0	0	0	109.8
305	H	23	Very low	24.4	Very low	171 Å²	171	139.5 Å²	139.5	79%	0.792	77%	0.774	S	S	*	*			trans	-52	141.4	162.3	-80.2	-96.6	0	0	0	111.3
306	S	25.1	Very low	24.7	Very low	106 Å²	106	140.7 Å²	140.7	74%	0.741	77%	0.771	S	S	*	*				170	133.6	118.6	43.4	0	0	0	0	113
307	H	25.8	Very low	24.8	Very low	171 Å²	171	142.6 Å²	142.6	79%	0.792	77%	0.771	S	S	*	*			trans	83.8	118.3	142.5	-91.6	-96.2	0	0	0	122.4
308	L	25.5	Very low	25.1	Very low	153 Å²	153	145.9 Å²	145.9	80%	0.801	78%	0.775	S	S	*	*			trans	79.7	95.4	153.9	-56.8	170	0	0	0	116.1
309	K	22.4	Very low	25.2	Very low	186 Å²	186	146.8 Å²	146.8	81%	0.809	77%	0.769	S	S	*	*			cis	77.6	126.9	48.8	-142.8	-169.2	-176.8	173.8	0	114.6
310	I	24.9	Very low	25.1	Very low	131 Å²	131	149.3 Å²	149.3	67%	0.672	78%	0.776	S	S	*	*			trans	84.2	102.4	161.7	-42.6	178.7	0	0	0	113.7	F312	I310-F312 HydrophobicContact CG2-CD2 4.28Å
311	A	21.9	Very low	25.1	Very low	87 Å²	87	151 Å²	151	72%	0.719	77%	0.772	S	S	*	*			cis	66	93.3	41.5	0	0	0	0	0	114.5
312	F	26.5	Very low	25.6	Very low	200 Å²	200	155.1 Å²	155.1	88%	0.877	78%	0.78	S	S	*	*			trans	-148	119.4	140.7	-98.3	-73.8	0	0	0	109.7	I310	I310-F312 HydrophobicContact CG2-CD2 4.28Å
313	E	22.8	Very low	25.5	Very low	160 Å²	160	151.8 Å²	151.8	75%	0.748	78%	0.777	S	S	*	*			trans	-61	139.1	167.9	-66.9	158.4	139.8	0	0	110
314	N	30.3	Very low	25.6	Very low	168 Å²	168	158.9 Å²	158.9	90%	0.898	79%	0.792	S	S	*	*			trans	-147.9	99.7	135.3	-85.4	-36.6	0	0	0	105.6
315	N	24.5	Very low	25.6	Very low	132 Å²	132	157 Å²	157	71%	0.706	79%	0.787	S	S	*	*			trans	-56.8	133.6	156.9	-68.5	-50.6	0	0	0	107
316	D	27	Very low	25.8	Very low	139 Å²	139	153.4 Å²	153.4	74%	0.743	78%	0.777	S	S	*	*				176.5	135.6	124.9	-83.2	-25.5	0	0	0	110.6
317	H	27.5	Very low	26.1	Very low	164 Å²	164	153.4 Å²	153.4	76%	0.759	78%	0.775	S	S	*	*			trans	77.7	110.1	159.2	-66.4	-56.7	0	0	0	120.6
318	E	27.4	Very low	26.3	Very low	174 Å²	174	153.3 Å²	153.3	81%	0.813	78%	0.779	S	S	*	*			trans	100.4	97	132.6	-69.8	-177	178.7	0	0	119.4
319	N	25.8	Very low	26.5	Very low	149 Å²	149	151.8 Å²	151.8	80%	0.797	78%	0.777	S	S	*	*				62	99.2	128.2	-100.2	-18.6	0	0	0	119.2	Y321	N319-Y321 PolarHBondContact O-N 3.31Å
320	C	21.2	Very low	27.1	Very low	114 Å²	114	148.6 Å²	148.6	77%	0.77	77%	0.773	S	S	*	*			trans	-47.5	122.2	158	-59.8	0	0	0	0	114
321	Y	27.2	Very low	27.6	Very low	208 Å²	208	150.1 Å²	150.1	82%	0.816	78%	0.781	S	S	*	*			trans	-149	61.9	138.9	-78.9	-71.3	0	0	0	110.1	N319	N319-Y321 PolarHBondContact O-N 3.31Å
322	H	30.2	Very low	28.4	Very low	184 Å²	184	153 Å²	153	85%	0.852	78%	0.784	S	S	*	*			trans	-108.5	79.7	159.5	-73.4	-48.3	0	0	0	108.5	R324	H322-R324 PolarHBondContact O-N 3.02Å
323	N	26	Very low	29.1	Very low	145 Å²	145	150.3 Å²	150.3	78%	0.775	78%	0.778	S	S	*	*			trans	-64.2	91.9	158.5	-86	-17	0	0	0	107.4	T325	N323-T325 PolarHBondContact O-N 3.29Å; N323-T325 PolarHBondContact O-OG1 2.97Å
324	R	24.1	Very low	30.1	Very low	224 Å²	224	147.6 Å²	147.6	85%	0.845	76%	0.764	S	S	*	*			trans	-67.7	73.6	169.2	-168.2	-177.7	-76.8	-146.6	-1.3	107.5	H322 T326	H322-R324 PolarHBondContact O-N 3.02Å; R324-T326 PolarHBondContact O-N 3.43Å
325	T	28.1	Very low	31.6	Very low	131 Å²	131	142.5 Å²	142.5	80%	0.804	74%	0.742	S	S	*	*			trans	-72.6	86.1	165.3	8.6	0	0	0	0	107.5	N323	N323-T325 PolarHBondContact O-N 3.29Å; N323-T325 PolarHBondContact O-OG1 2.97Å
326	T	27.8	Very low	33.4	Very low	96 Å²	96	139.2 Å²	139.2	59%	0.589	73%	0.728	S	S	*	*			trans	-48.1	128.9	162.5	41.9	0	0	0	0	108.9	R324 L328	R324-T326 PolarHBondContact O-N 3.43Å; T326-L328 PolarHBondContact O-N 3.4Å
327	P	31.8	Very low	35.5	Very low	105 Å²	105	141.4 Å²	141.4	68%	0.682	73%	0.725	S	S	*	*			trans	-62.2	114	177.1	-13.9	26.8	0	0	0	108.4	T329	P327-T329 HydrophobicContact CB-CG2 3.99Å; P327-T329 PolarHBondContact O-N 3.45Å
328	L	29	Very low	36.8	Very low	169 Å²	169	138.7 Å²	138.7	89%	0.885	72%	0.716	S	S	*	*			trans	-64.2	83.1	163.4	-105.6	91.4	0	0	0	107.6	T326	T326-L328 PolarHBondContact O-N 3.4Å
329	T	30.8	Very low	38.2	Very low	122 Å²	122	134.8 Å²	134.8	75%	0.748	70%	0.698	S	S	*	*			trans	-106.4	5.4	171	50.5	0	0	0	0	112.3	P327	P327-T329 HydrophobicContact CB-CG2 3.99Å; P327-T329 PolarHBondContact O-N 3.45Å
330	T	35.5	Very low	40.2	Very low	118 Å²	118	135.7 Å²	135.7	72%	0.724	69%	0.69	S	S	*	*	S	Bend	trans	-114.3	82.9	-177.8	56.8	0	0	0	0	111.1
331	L	35	Very low	42.3	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	68%	0.675	S	S	*	*	S	Bend	trans	178.3	-3.1	147.3	-105.3	163.9	0	0	0	117.4	D333	L331-D333 PolarHBondContact O-N 3.49Å
332	L	38.1	Very low	43.6	Very low	146 Å²	146	128.3 Å²	128.3	76%	0.764	65%	0.652	S	S	*	*			trans	-86.5	76	167.1	-75.6	165.6	0	0	0	108.6	K334	L332-K334 PolarHBondContact O-N 2.99Å
333	D	40.7	Very low	45.3	Very low	144 Å²	144	122.8 Å²	122.8	77%	0.77	63%	0.634	S	S	*	*			trans	-64.5	86.3	166.1	-167	14.7	0	0	0	107.3	L331 S335	L331-D333 PolarHBondContact O-N 3.49Å; D333-S335 PolarHBondContact O-N 2.95Å
334	K	45.1	Very low	47.8	Very low	104 Å²	104	123.5 Å²	123.5	45%	0.452	63%	0.63	S	S	.	*			trans	-57.6	112.2	179.9	-61.1	178.4	-174.8	168.2	0	106.1	L332 P336 E339	L332-K334 PolarHBondContact O-N 2.99Å; K334-P336 WeakPolarHBondContact O-CD 3.26Å; K334-E339 HydrophobicContact CB-CG 4.35Å; K334-E339 HydrophobicContact CD-CG 4.43Å; K334-E339 WeakPolarHBondContact CD-OE1 3.46Å; K334-E339 IonicContact NZ-OE1 2.89Å; K334-E339 PolarHBondContact NZ-OE1 3.22Å
335	S	60	Low	50.1	Low	61 Å²	61	118.4 Å²	118.4	43%	0.427	62%	0.619	S	S	.	*			trans	-41.3	109.4	-178.8	178.4	0	0	0	0	109.8	D333 R337 L338 E339	D333-S335 PolarHBondContact O-N 2.95Å; S335-R337 PolarHBondContact O-N 2.81Å; S335-L338 PolarHBondContact O-N 3Å; S335-E339 PolarHBondContact O-N 3.45Å
336	P	63.7	Low	51.6	Low	63 Å²	63	115 Å²	115	41%	0.409	60%	0.604	S	S	.	*	H	α-helix	trans	-60.3	-13.7	-173.2	-26.1	33.3	0	0	0	112.5	K334 R340	K334-P336 WeakPolarHBondContact O-CD 3.26Å; P336-R340 WeakPolarHBondContact O-CB 3.37Å; P336-R340 VanDerWaalsContact O-CG 3.27Å; P336-R340 WeakPolarHBondContact O-CG 3.31Å; P336-R340 PolarHBondContact O-N 3.48Å; P336-R340 PolarHBondContact O-NH1 3.13Å
337	R	71.1	Confident	53.6	Low	184 Å²	184	115 Å²	115	69%	0.694	60%	0.6	S	S	*	*	H	α-helix	trans	-78.9	-35	176.7	-152.3	173.3	-172	166.5	2	112.7	S335 K341	S335-R337 PolarHBondContact O-N 2.81Å; R337-K341 WeakPolarHBondContact O-CG 3.27Å; R337-K341 PolarHBondContact O-N 3.45Å
338	L	53.7	Low	55.8	Low	107 Å²	107	111.7 Å²	111.7	56%	0.56	59%	0.585	S	S	*	*	H	α-helix	trans	-75.6	-44.1	177.8	-110.1	145	0	0	0	111.1	S335 R340 K341 L342	S335-L338 PolarHBondContact O-N 3Å; L338-R340 PolarHBondContact O-N 2.93Å; L338-K341 PolarHBondContact O-N 3.34Å; L338-K341 VanDerWaalsContact O-N 3.15Å; L338-L342 PolarHBondContact O-N 3.3Å
339	E	57.7	Low	57.8	Low	93 Å²	93	107.4 Å²	107.4	44%	0.435	57%	0.565	S	S	.	*	H	α-helix	trans	-60.1	-46	174.7	-73.7	-159.8	149.2	0	0	111.1	K334 S335 K341 L342 S343	K334-E339 HydrophobicContact CB-CG 4.35Å; K334-E339 HydrophobicContact CD-CG 4.43Å; K334-E339 WeakPolarHBondContact CD-OE1 3.46Å; K334-E339 IonicContact NZ-OE1 2.89Å; K334-E339 PolarHBondContact NZ-OE1 3.22Å; S335-E339 PolarHBondContact O-N 3.45Å; E339-K341 VanDerWaalsContact C-N 3.26Å; E339-K341 PolarHBondContact O-N 3.06Å; E339-L342 PolarHBondContact O-N 3.15Å; E339-S343 PolarHBondContact O-N 3.4Å; E339-S343 PolarHBondContact O-OG 3.06Å; E339-S343 VanDerWaalsContact O-OG 3.09Å
340	R	66.5	Low	59.4	Low	167 Å²	167	110.2 Å²	110.2	63%	0.63	56%	0.562	S	S	*	*	H	α-helix	trans	-57.3	-36.8	174.8	-82.4	-179	177.4	90.3	-5.2	113.4	P336 L338 K344	P336-R340 WeakPolarHBondContact O-CB 3.37Å; P336-R340 VanDerWaalsContact O-CG 3.27Å; P336-R340 WeakPolarHBondContact O-CG 3.31Å; P336-R340 PolarHBondContact O-N 3.48Å; P336-R340 PolarHBondContact O-NH1 3.13Å; L338-R340 PolarHBondContact O-N 2.93Å; R340-K344 WeakPolarHBondContact O-CB 3.45Å; R340-K344 VanDerWaalsContact O-CG 3.31Å; R340-K344 WeakPolarHBondContact O-CG 3.45Å; R340-K344 PolarHBondContact O-N 3.39Å; R340-K344 VanDerWaalsContact O-N 3.08Å
341	K	67.2	Low	61.2	Low	104 Å²	104	108.6 Å²	108.6	45%	0.452	55%	0.549	S	S	.	.	H	α-helix	trans	-71.8	-42.6	177.7	-81.3	-177.7	176.9	-179.2	0	111.8	R337 L338 E339 K344 L345	R337-K341 WeakPolarHBondContact O-CG 3.27Å; R337-K341 PolarHBondContact O-N 3.45Å; L338-K341 PolarHBondContact O-N 3.34Å; L338-K341 VanDerWaalsContact O-N 3.15Å; E339-K341 VanDerWaalsContact C-N 3.26Å; E339-K341 PolarHBondContact O-N 3.06Å; K341-K344 PolarHBondContact O-N 2.89Å; K341-L345 PolarHBondContact O-N 3.39Å
342	L	53	Low	62.8	Low	64 Å²	64	108.8 Å²	108.8	34%	0.335	54%	0.543	S	S	.	.	H	α-helix	trans	-62.8	-44.2	176.1	-114.1	106.2	0	0	0	111.4	L15 I44 L338 E339 K344 L345 A346	L15-L342 HydrophobicContact CD1-CD2 4.25Å; L15-L342 HydrophobicContact CD2-CD2 4.31Å; I44-L342 HydrophobicContact CD1-CD1 4.31Å; I44-L342 HydrophobicContact CD1-CD2 4.04Å; I44-L342 HydrophobicContact CD1-CG 4.49Å; L338-L342 PolarHBondContact O-N 3.3Å; E339-L342 PolarHBondContact O-N 3.15Å; L342-K344 PolarHBondContact O-N 3.36Å; L342-L345 PolarHBondContact O-N 3Å; L342-A346 WeakPolarHBondContact O-CB 3.48Å; L342-A346 PolarHBondContact O-N 3.25Å
343	S	66.6	Low	63.6	Low	68 Å²	68	105.5 Å²	105.5	48%	0.476	53%	0.526	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.5	-58	0	0	0	0	111.5	E339 L345 A346 I347	E339-S343 PolarHBondContact O-N 3.4Å; E339-S343 PolarHBondContact O-OG 3.06Å; E339-S343 VanDerWaalsContact O-OG 3.09Å; S343-L345 VanDerWaalsContact C-N 3.34Å; S343-L345 PolarHBondContact O-N 3.47Å; S343-A346 PolarHBondContact O-N 2.74Å; S343-I347 WeakPolarHBondContact O-CB 3.49Å; S343-I347 WeakPolarHBondContact O-CD1 3.43Å; S343-I347 WeakPolarHBondContact O-CG1 3.46Å; S343-I347 PolarHBondContact O-N 3.01Å
344	K	78.4	Confident	64.7	Low	159 Å²	159	101 Å²	101	69%	0.691	50%	0.503	S	S	*	.	H	α-helix	trans	-62	-39.4	175.3	-79	-177.5	179	-170.3	0	112.8	R340 K341 L342 G348	R340-K344 WeakPolarHBondContact O-CB 3.45Å; R340-K344 VanDerWaalsContact O-CG 3.31Å; R340-K344 WeakPolarHBondContact O-CG 3.45Å; R340-K344 PolarHBondContact O-N 3.39Å; R340-K344 VanDerWaalsContact O-N 3.08Å; K341-K344 PolarHBondContact O-N 2.89Å; L342-K344 PolarHBondContact O-N 3.36Å; K344-G348 PolarHBondContact O-N 2.84Å
345	L	72.6	Confident	65.8	Low	118 Å²	118	99.9 Å²	99.9	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-66.2	-45	176.2	-178	63.1	0	0	0	111.4	K341 L342 S343 I347 G348 V349	K341-L345 PolarHBondContact O-N 3.39Å; L342-L345 PolarHBondContact O-N 3Å; S343-L345 VanDerWaalsContact C-N 3.34Å; S343-L345 PolarHBondContact O-N 3.47Å; L345-I347 VanDerWaalsContact C-N 3.33Å; L345-I347 PolarHBondContact O-N 2.99Å; L345-G348 PolarHBondContact O-N 3.11Å; L345-V349 HydrophobicContact CD1-CG2 4.48Å; L345-V349 WeakPolarHBondContact O-CG2 3.2Å; L345-V349 PolarHBondContact O-N 2.96Å
346	A	59	Low	65.4	Low	59 Å²	59	102.2 Å²	102.2	49%	0.488	51%	0.512	S	S	.	.	H	α-helix	trans	-60.7	-42.2	177.2	0	0	0	0	0	111.9	L342 S343 V349 R350	L342-A346 WeakPolarHBondContact O-CB 3.48Å; L342-A346 PolarHBondContact O-N 3.25Å; S343-A346 PolarHBondContact O-N 2.74Å; A346-V349 PolarHBondContact O-N 3.34Å; A346-R350 WeakPolarHBondContact O-CB 3.4Å; A346-R350 PolarHBondContact O-N 2.97Å
347	I	70.2	Confident	64.5	Low	96 Å²	96	102.8 Å²	102.8	49%	0.492	52%	0.517	S	S	.	.	H	α-helix	trans	-60.9	-49.3	173.4	-67.3	162.5	0	0	0	110.2	S343 L345 V349 R350 D351	S343-I347 WeakPolarHBondContact O-CB 3.49Å; S343-I347 WeakPolarHBondContact O-CD1 3.43Å; S343-I347 WeakPolarHBondContact O-CG1 3.46Å; S343-I347 PolarHBondContact O-N 3.01Å; L345-I347 VanDerWaalsContact C-N 3.33Å; L345-I347 PolarHBondContact O-N 2.99Å; I347-V349 VanDerWaalsContact C-N 3.33Å; I347-V349 PolarHBondContact O-N 3.22Å; I347-R350 WeakPolarHBondContact O-CB 3.26Å; I347-R350 PolarHBondContact O-N 2.83Å; I347-R350 VanDerWaalsContact O-N 3.17Å; I347-D351 WeakPolarHBondContact CG2-OD2 3.38Å; I347-D351 WeakPolarHBondContact O-CB 3.37Å; I347-D351 VanDerWaalsContact O-CG 3.29Å; I347-D351 PolarHBondContact O-N 2.66Å
348	G	78.5	Confident	63.7	Low	36 Å²	36	102.6 Å²	102.6	37%	0.371	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-37.1	180	0	0	0	0	0	114	K344 L345 K352	K344-G348 PolarHBondContact O-N 2.84Å; L345-G348 PolarHBondContact O-N 3.11Å; G348-K352 WeakPolarHBondContact O-CB 3.36Å; G348-K352 PolarHBondContact O-N 2.78Å
349	V	69.9	Low	63.5	Low	79 Å²	79	100.8 Å²	100.8	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-45.9	174.6	172.3	0	0	0	0	110.7	L345 A346 I347 D351 K352 I353	L345-V349 HydrophobicContact CD1-CG2 4.48Å; L345-V349 WeakPolarHBondContact O-CG2 3.2Å; L345-V349 PolarHBondContact O-N 2.96Å; A346-V349 PolarHBondContact O-N 3.34Å; I347-V349 VanDerWaalsContact C-N 3.33Å; I347-V349 PolarHBondContact O-N 3.22Å; V349-D351 VanDerWaalsContact C-N 3.35Å; V349-D351 PolarHBondContact O-N 2.92Å; V349-K352 PolarHBondContact O-N 3.35Å; V349-I353 HydrophobicContact CG1-CD1 4.02Å; V349-I353 WeakPolarHBondContact O-CG1 3.45Å; V349-I353 PolarHBondContact O-N 3.13Å
350	R	64.2	Low	62.6	Low	181 Å²	181	99.6 Å²	99.6	68%	0.683	52%	0.518	S	S	*	.	H	α-helix	trans	-59.5	-45	176.1	176.8	-179.9	171.3	162	-1.2	111.6	A346 I347 K352 I353 T354	A346-R350 WeakPolarHBondContact O-CB 3.4Å; A346-R350 PolarHBondContact O-N 2.97Å; I347-R350 WeakPolarHBondContact O-CB 3.26Å; I347-R350 PolarHBondContact O-N 2.83Å; I347-R350 VanDerWaalsContact O-N 3.17Å; R350-K352 VanDerWaalsContact C-N 3.34Å; R350-K352 PolarHBondContact O-N 2.98Å; R350-I353 PolarHBondContact O-N 3.36Å; R350-T354 WeakPolarHBondContact O-CB 2.82Å; R350-T354 PolarHBondContact O-N 2.84Å; R350-T354 PolarHBondContact O-OG1 2.86Å
351	D	74.2	Confident	61.2	Low	84 Å²	84	94.6 Å²	94.6	45%	0.449	51%	0.509	S	S	.	.	H	α-helix	trans	-64.8	-40.7	179.9	-69.9	-18.1	0	0	0	110.8	I347 V349 I353 T354 T355	I347-D351 WeakPolarHBondContact CG2-OD2 3.38Å; I347-D351 WeakPolarHBondContact O-CB 3.37Å; I347-D351 VanDerWaalsContact O-CG 3.29Å; I347-D351 PolarHBondContact O-N 2.66Å; V349-D351 VanDerWaalsContact C-N 3.35Å; V349-D351 PolarHBondContact O-N 2.92Å; D351-I353 PolarHBondContact O-N 3.35Å; D351-T354 CarbonylContact O-C 3.51Å; D351-T354 WeakPolarHBondContact O-CB 3.48Å; D351-T354 PolarHBondContact O-N 2.94Å; D351-T354 VanDerWaalsContact O-N 3.14Å; D351-T355 PolarHBondContact O-N 2.87Å; D351-T355 PolarHBondContact O-OG1 3.19Å
352	K	68.4	Low	60.1	Low	168 Å²	168	94.6 Å²	94.6	73%	0.73	52%	0.522	S	S	*	.	H	α-helix	trans	-67.7	-37.9	179.4	-150	157.5	-171.7	-178.6	0	112.8	G348 V349 R350 L356	G348-K352 WeakPolarHBondContact O-CB 3.36Å; G348-K352 PolarHBondContact O-N 2.78Å; V349-K352 PolarHBondContact O-N 3.35Å; R350-K352 VanDerWaalsContact C-N 3.34Å; R350-K352 PolarHBondContact O-N 2.98Å; K352-L356 WeakPolarHBondContact O-CB 3.41Å; K352-L356 PolarHBondContact O-N 3.4Å
353	I	55.7	Low	59.6	Low	77 Å²	77	95.4 Å²	95.4	40%	0.395	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-45	169.9	-67.5	168.7	0	0	0	109.8	L18 V349 R350 D351 T355 L356 C357	L18-I353 HydrophobicContact CD2-CD1 4.44Å; V349-I353 HydrophobicContact CG1-CD1 4.02Å; V349-I353 WeakPolarHBondContact O-CG1 3.45Å; V349-I353 PolarHBondContact O-N 3.13Å; R350-I353 PolarHBondContact O-N 3.36Å; D351-I353 PolarHBondContact O-N 3.35Å; I353-T355 PolarHBondContact O-N 3.22Å; I353-L356 PolarHBondContact O-N 3.36Å; I353-C357 WeakPolarHBondContact O-CB 3.25Å; I353-C357 PolarHBondContact O-N 3.2Å; I353-C357 PolarHBondContact O-SG 2.83Å
354	T	64.2	Low	58.2	Low	48 Å²	48	97.4 Å²	97.4	29%	0.294	54%	0.543	S	S	.	.	H	α-helix	trans	-61.9	-44.7	179.4	-56.1	0	0	0	0	111.6	R350 D351 C357 R358	R350-T354 WeakPolarHBondContact O-CB 2.82Å; R350-T354 PolarHBondContact O-N 2.84Å; R350-T354 PolarHBondContact O-OG1 2.86Å; D351-T354 CarbonylContact O-C 3.51Å; D351-T354 WeakPolarHBondContact O-CB 3.48Å; D351-T354 PolarHBondContact O-N 2.94Å; D351-T354 VanDerWaalsContact O-N 3.14Å; T354-C357 PolarHBondContact O-N 3.34Å; T354-R358 WeakPolarHBondContact O-CG 2.96Å; T354-R358 PolarHBondContact O-N 3.29Å
355	T	68	Low	56.2	Low	82 Å²	82	95.1 Å²	95.1	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-62.5	-43.5	174.7	-55.7	0	0	0	0	110.8	D351 I353 C357 R358 S359	D351-T355 PolarHBondContact O-N 2.87Å; D351-T355 PolarHBondContact O-OG1 3.19Å; I353-T355 PolarHBondContact O-N 3.22Å; T355-C357 PolarHBondContact O-N 3.33Å; T355-R358 PolarHBondContact O-N 3.22Å; T355-S359 PolarHBondContact O-N 3.4Å; T355-S359 PolarHBondContact O-OG 3.41Å; T355-S359 VanDerWaalsContact O-OG 3.09Å
356	L	50.9	Low	54.7	Low	110 Å²	110	99.3 Å²	99.3	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-42.3	178.2	-159.1	79	0	0	0	111.7	K352 I353 R358 S359 A360	K352-L356 WeakPolarHBondContact O-CB 3.41Å; K352-L356 PolarHBondContact O-N 3.4Å; I353-L356 PolarHBondContact O-N 3.36Å; L356-R358 VanDerWaalsContact C-N 3.35Å; L356-S359 PolarHBondContact O-N 3.12Å; L356-A360 WeakPolarHBondContact O-CB 3.32Å; L356-A360 PolarHBondContact O-N 3.35Å
357	C	45.8	Very low	53.8	Low	74 Å²	74	99.3 Å²	99.3	50%	0.5	56%	0.557	S	S	.	*	H	α-helix	trans	-60.8	-43.1	173.2	-69.8	0	0	0	0	111.2	I353 T354 T355 A360 S361	I353-C357 WeakPolarHBondContact O-CB 3.25Å; I353-C357 PolarHBondContact O-N 3.2Å; I353-C357 PolarHBondContact O-SG 2.83Å; T354-C357 PolarHBondContact O-N 3.34Å; T355-C357 PolarHBondContact O-N 3.33Å; C357-A360 PolarHBondContact O-N 2.99Å; C357-S361 WeakPolarHBondContact O-CB 3.44Å; C357-S361 PolarHBondContact O-N 3.34Å; C357-S361 PolarHBondContact O-OG 3.35Å; C357-S361 VanDerWaalsContact O-OG 3.07Å
358	R	52.3	Low	52.3	Low	181 Å²	181	97.2 Å²	97.2	68%	0.683	55%	0.55	S	S	*	*	H	α-helix	trans	-65.4	-42	176.4	-72.9	177.8	-176.5	-179.2	1.9	112.7	T354 T355 L356 A360 S361 S362	T354-R358 WeakPolarHBondContact O-CG 2.96Å; T354-R358 PolarHBondContact O-N 3.29Å; T355-R358 PolarHBondContact O-N 3.22Å; L356-R358 VanDerWaalsContact C-N 3.35Å; R358-A360 VanDerWaalsContact C-N 3.35Å; R358-S361 PolarHBondContact O-N 2.98Å; R358-S362 PolarHBondContact O-N 3.04Å
359	S	50.1	Low	50.4	Low	68 Å²	68	99.2 Å²	99.2	48%	0.476	56%	0.563	S	S	.	*	H	α-helix	trans	-66.6	-36.4	176.7	-61	0	0	0	0	112.2	T355 L356 S362	T355-S359 PolarHBondContact O-N 3.4Å; T355-S359 PolarHBondContact O-OG 3.41Å; T355-S359 VanDerWaalsContact O-OG 3.09Å; L356-S359 PolarHBondContact O-N 3.12Å; S359-S362 PolarHBondContact O-OG 3.31Å
360	A	39	Very low	49.3	Very low	68 Å²	68	99.2 Å²	99.2	56%	0.562	56%	0.563	S	S	*	*	H	α-helix	trans	-67	-37.3	172.5	0	0	0	0	0	111.6	L356 C357 R358	L356-A360 WeakPolarHBondContact O-CB 3.32Å; L356-A360 PolarHBondContact O-N 3.35Å; C357-A360 PolarHBondContact O-N 2.99Å; R358-A360 VanDerWaalsContact C-N 3.35Å
361	S	37.6	Very low	48.5	Very low	63 Å²	63	93.7 Å²	93.7	44%	0.441	55%	0.547	S	S	.	.	H	α-helix	trans	-73.3	-28.9	176	-64.3	0	0	0	0	113.8	C357 R358 A363 L364	C357-S361 WeakPolarHBondContact O-CB 3.44Å; C357-S361 PolarHBondContact O-N 3.34Å; C357-S361 PolarHBondContact O-OG 3.35Å; C357-S361 VanDerWaalsContact O-OG 3.07Å; R358-S361 PolarHBondContact O-N 2.98Å; S361-A363 PolarHBondContact O-N 2.94Å; S361-L364 PolarHBondContact O-N 3.41Å
362	S	44.4	Very low	47.6	Very low	104 Å²	104	93.2 Å²	93.2	73%	0.727	54%	0.544	S	S	*	.	H	α-helix	trans	-71.2	-17.2	177.3	56.9	0	0	0	0	113.6	R358 S359	R358-S362 PolarHBondContact O-N 3.04Å; S359-S362 PolarHBondContact O-OG 3.31Å
363	A	42.1	Very low	47	Very low	80 Å²	80	88.7 Å²	88.7	66%	0.661	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.7	177.9	0	0	0	0	0	113.6	S361	S361-A363 PolarHBondContact O-N 2.94Å
364	L	36.1	Very low	47.2	Very low	111 Å²	111	86.9 Å²	86.9	58%	0.581	52%	0.521	S	S	*	.	S	Bend	trans	-136.1	134	-175.9	-116.3	70.5	0	0	0	111.6	S361	S361-L364 PolarHBondContact O-N 3.41Å
365	P	36.8	Very low	47.1	Very low	111 Å²	111	87.6 Å²	87.6	72%	0.721	53%	0.528	S	S	*	.			trans	-53.2	152.4	173.5	-22.2	32	0	0	0	112.4	S367	P365-S367 PolarHBondContact O-N 2.95Å
366	Q	41.6	Very low	47.6	Very low	206 Å²	206	86.3 Å²	86.3	96%	0.963	52%	0.518	S	S	*	.	S	Bend	trans	-60	25.5	-163.2	-73.9	165.6	-27.1	0	0	118.9
367	S	40.5	Very low	49.2	Very low	59 Å²	59	81.6 Å²	81.6	41%	0.413	49%	0.493	S	S	.	.			trans	-88.1	-0	177.7	63.6	0	0	0	0	115.5	P365 A369 T370 D371	P365-S367 PolarHBondContact O-N 2.95Å; S367-A369 VanDerWaalsContact C-N 3.35Å; S367-A369 PolarHBondContact O-N 3.23Å; S367-A369 VanDerWaalsContact O-N 3.09Å; S367-T370 PolarHBondContact O-N 3.39Å; S367-T370 VanDerWaalsContact O-N 3.17Å; S367-T370 PolarHBondContact O-OG1 3.3Å; S367-D371 PolarHBondContact O-N 2.88Å; S367-D371 PolarHBondContact OG-OD2 2.9Å
368	C	37.9	Very low	51.2	Low	52 Å²	52	82.6 Å²	82.6	35%	0.351	49%	0.487	S	S	.	.	H	α-helix	trans	-67.3	-21.4	-159.8	69.2	0	0	0	0	117.6	T370 D371 I372	C368-T370 VanDerWaalsContact C-N 3.32Å; C368-T370 PolarHBondContact O-N 2.84Å; C368-D371 WeakPolarHBondContact CA-OD2 3.44Å; C368-D371 PolarHBondContact O-N 2.82Å; C368-I372 PolarHBondContact O-N 2.87Å; C368-I372 VanDerWaalsContact O-N 3.16Å
369	A	39.3	Very low	53	Low	78 Å²	78	78.2 Å²	78.2	65%	0.645	48%	0.48	S	S	*	.	H	α-helix	trans	-65.3	-39.9	176.7	0	0	0	0	0	111.1	S367	S367-A369 VanDerWaalsContact C-N 3.35Å; S367-A369 PolarHBondContact O-N 3.23Å; S367-A369 VanDerWaalsContact O-N 3.09Å
370	T	47.1	Very low	54.9	Low	78 Å²	78	78.1 Å²	78.1	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-68.7	-39.8	173	54.7	0	0	0	0	109.9	S367 C368 I372 V373 I374	S367-T370 PolarHBondContact O-N 3.39Å; S367-T370 VanDerWaalsContact O-N 3.17Å; S367-T370 PolarHBondContact O-OG1 3.3Å; C368-T370 VanDerWaalsContact C-N 3.32Å; C368-T370 PolarHBondContact O-N 2.84Å; T370-I372 VanDerWaalsContact C-N 3.33Å; T370-I372 PolarHBondContact O-N 3.04Å; T370-V373 PolarHBondContact O-N 2.79Å; T370-I374 VanDerWaalsContact O-CB 3.22Å; T370-I374 WeakPolarHBondContact O-CB 3.32Å; T370-I374 WeakPolarHBondContact O-CD1 3.48Å; T370-I374 WeakPolarHBondContact O-CG1 3.32Å; T370-I374 PolarHBondContact O-N 2.81Å
371	D	45.7	Very low	57.5	Low	65 Å²	65	74.9 Å²	74.9	35%	0.348	44%	0.444	S	S	.	.	H	α-helix	trans	-59.8	-37.3	-178.1	-63.3	-38	0	0	0	113.7	S367 C368 S375	S367-D371 PolarHBondContact O-N 2.88Å; S367-D371 PolarHBondContact OG-OD2 2.9Å; C368-D371 WeakPolarHBondContact CA-OD2 3.44Å; C368-D371 PolarHBondContact O-N 2.82Å; D371-S375 WeakPolarHBondContact O-CB 3.28Å; D371-S375 PolarHBondContact O-N 2.79Å
372	I	55.3	Low	60.1	Low	74 Å²	74	75.7 Å²	75.7	38%	0.379	44%	0.441	S	S	.	.	H	α-helix	trans	-67.8	-46.9	176.5	-68.8	172.3	0	0	0	111.4	N22 C368 T370 S375 N376	N22-I372 WeakPolarHBondContact OD1-CG2 3.27Å; C368-I372 PolarHBondContact O-N 2.87Å; C368-I372 VanDerWaalsContact O-N 3.16Å; T370-I372 VanDerWaalsContact C-N 3.33Å; T370-I372 PolarHBondContact O-N 3.04Å; I372-S375 WeakPolarHBondContact O-CB 3.32Å; I372-S375 PolarHBondContact O-N 3.19Å; I372-N376 PolarHBondContact O-N 3.32Å; I372-N376 PolarHBondContact O-ND2 3.39Å
373	V	56.4	Low	62.3	Low	73 Å²	73	78.4 Å²	78.4	44%	0.442	44%	0.44	S	S	.	.	H	α-helix	trans	-65	-45.5	179.6	175.6	0	0	0	0	109.8	T370 S375 N376 H377	T370-V373 PolarHBondContact O-N 2.79Å; V373-S375 VanDerWaalsContact C-N 3.3Å; V373-S375 PolarHBondContact O-N 2.79Å; V373-N376 PolarHBondContact O-N 3.01Å; V373-H377 VanDerWaalsContact CG1-CD2 3.48Å; V373-H377 WeakPolarHBondContact CG1-CD2 2.88Å; V373-H377 WeakPolarHBondContact CG1-NE2 2.9Å; V373-H377 PolarHBondContact O-CD2 3.19Å; V373-H377 PolarHBondContact O-N 3.2Å
374	I	59.7	Low	64.6	Low	39 Å²	39	75.4 Å²	75.4	20%	0.2	41%	0.412	C	S	.	.	H	α-helix	trans	-55.2	-45.1	172.1	-68.1	165	0	0	0	110.6	T370 N376 H377 R378 D511	T370-I374 VanDerWaalsContact O-CB 3.22Å; T370-I374 WeakPolarHBondContact O-CB 3.32Å; T370-I374 WeakPolarHBondContact O-CD1 3.48Å; T370-I374 WeakPolarHBondContact O-CG1 3.32Å; T370-I374 PolarHBondContact O-N 2.81Å; I374-N376 PolarHBondContact O-N 3.28Å; I374-H377 PolarHBondContact O-N 3Å; I374-R378 WeakPolarHBondContact O-CB 3.44Å; I374-R378 PolarHBondContact O-N 2.95Å; I374-D511 HydrophobicContact CG1-CB 4.15Å; I374-D511 VanDerWaalsContact CG1-OD2 3.32Å; I374-D511 WeakPolarHBondContact CG1-OD2 3.32Å
375	S	63.2	Low	67.2	Low	64 Å²	64	70.9 Å²	70.9	45%	0.448	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-46.2	179.4	-174.7	0	0	0	0	111.8	D371 I372 V373 H377 R378 V379	D371-S375 WeakPolarHBondContact O-CB 3.28Å; D371-S375 PolarHBondContact O-N 2.79Å; I372-S375 WeakPolarHBondContact O-CB 3.32Å; I372-S375 PolarHBondContact O-N 3.19Å; V373-S375 VanDerWaalsContact C-N 3.3Å; V373-S375 PolarHBondContact O-N 2.79Å; S375-H377 PolarHBondContact O-N 2.87Å; S375-R378 PolarHBondContact O-N 3.16Å; S375-V379 WeakPolarHBondContact O-CG2 3.49Å; S375-V379 PolarHBondContact O-N 3.28Å
376	N	77.7	Confident	69.7	Low	55 Å²	55	75.4 Å²	75.4	29%	0.294	39%	0.391	S	S	.	.	H	α-helix	trans	-64.6	-40.8	178.2	-69.5	-33.2	0	0	0	112	I372 V373 I374 V379 F380	I372-N376 PolarHBondContact O-N 3.32Å; I372-N376 PolarHBondContact O-ND2 3.39Å; V373-N376 PolarHBondContact O-N 3.01Å; I374-N376 PolarHBondContact O-N 3.28Å; N376-V379 PolarHBondContact O-N 3.08Å; N376-F380 PolarHBondContact O-N 3.19Å
377	H	85	Confident	71.8	Confident	10 Å²	10	69.8 Å²	69.8	5%	0.046	37%	0.374	C	S	.	.	H	α-helix	trans	-65.1	-42.1	176.4	-69.2	-39.8	0	0	0	112.7	V373 I374 S375 V379 F380 L381 E417 T421 L512	V373-H377 VanDerWaalsContact CG1-CD2 3.48Å; V373-H377 WeakPolarHBondContact CG1-CD2 2.88Å; V373-H377 WeakPolarHBondContact CG1-NE2 2.9Å; V373-H377 PolarHBondContact O-CD2 3.19Å; V373-H377 PolarHBondContact O-N 3.2Å; I374-H377 PolarHBondContact O-N 3Å; S375-H377 PolarHBondContact O-N 2.87Å; H377-V379 VanDerWaalsContact C-N 3.35Å; H377-V379 PolarHBondContact O-N 3.38Å; H377-F380 PolarHBondContact O-N 3.38Å; H377-L381 WeakPolarHBondContact O-CB 3.47Å; H377-L381 WeakPolarHBondContact O-CG 3.42Å; H377-L381 PolarHBondContact O-N 3.09Å; H377-E417 IonicContact CE1-OE1 3.77Å; H377-E417 IonicContact ND1-OE1 3.85Å; H377-T421 WeakPolarHBondContact CE1-CG2 2.92Å; H377-T421 VanDerWaalsContact NE2-CG2 3.34Å; H377-T421 WeakPolarHBondContact NE2-CG2 3.47Å; H377-L512 HydrophobicContact CB-CD2 3.64Å; H377-L512 HydrophobicContact CB-CG 3.96Å
378	R	88.5	Confident	73.8	Confident	96 Å²	96	68.6 Å²	68.6	36%	0.362	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-46.1	174.1	178.1	176.4	-64.6	-77.9	-4	111.2	I374 S375 F380 L381 E382 T515	I374-R378 WeakPolarHBondContact O-CB 3.44Å; I374-R378 PolarHBondContact O-N 2.95Å; S375-R378 PolarHBondContact O-N 3.16Å; R378-F380 PolarHBondContact O-N 2.8Å; R378-L381 PolarHBondContact O-N 3.21Å; R378-E382 HydrophobicContact CG-CG 4.15Å; R378-E382 WeakPolarHBondContact CG-OE1 3.4Å; R378-E382 WeakPolarHBondContact O-CB 3.46Å; R378-E382 WeakPolarHBondContact O-CG 3.27Å; R378-E382 PolarHBondContact O-N 3.01Å; R378-T515 HydrophobicContact CB-CG2 4.48Å
379	V	88.9	Confident	76.2	Confident	89 Å²	89	66.3 Å²	66.3	54%	0.539	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-43.2	178.7	173.5	0	0	0	0	111.5	S375 N376 H377 K383	S375-V379 WeakPolarHBondContact O-CG2 3.49Å; S375-V379 PolarHBondContact O-N 3.28Å; N376-V379 PolarHBondContact O-N 3.08Å; H377-V379 VanDerWaalsContact C-N 3.35Å; H377-V379 PolarHBondContact O-N 3.38Å; V379-K383 WeakPolarHBondContact O-CB 3.35Å; V379-K383 PolarHBondContact O-N 3.46Å; V379-K383 VanDerWaalsContact O-N 3.1Å
380	F	91	Very high	78.7	Confident	65 Å²	65	62.6 Å²	62.6	29%	0.285	33%	0.326	S	S	.	.	H	α-helix	trans	-58.1	-50.2	174.4	165	-106.8	0	0	0	111.7	N376 H377 R378 K383 L384 V414 E417 L512	N376-F380 PolarHBondContact O-N 3.19Å; H377-F380 PolarHBondContact O-N 3.38Å; R378-F380 PolarHBondContact O-N 2.8Å; F380-K383 PolarHBondContact O-N 2.86Å; F380-L384 PolarHBondContact O-N 3.18Å; F380-V414 HydrophobicContact CE1-CG2 4.31Å; F380-E417 HydrophobicContact CD1-CB 4.47Å; F380-E417 HydrophobicContact CD1-CG 4.05Å; F380-E417 HydrophobicContact CE1-CB 3.97Å; F380-E417 HydrophobicContact CE1-CG 4.06Å; F380-E417 HydrophobicContact CZ-CB 4.27Å; F380-L512 HydrophobicContact CD1-CD2 4.3Å
381	L	93.3	Very high	80.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.3	-45.6	-179.1	-68.8	170.4	0	0	0	111.9	H377 R378 K383 L384 F385 V414 L512 T515 A516 L519	H377-L381 WeakPolarHBondContact O-CB 3.47Å; H377-L381 WeakPolarHBondContact O-CG 3.42Å; H377-L381 PolarHBondContact O-N 3.09Å; R378-L381 PolarHBondContact O-N 3.21Å; L381-K383 PolarHBondContact O-N 3.36Å; L381-L384 HydrophobicContact CD2-CD2 4.48Å; L381-L384 WeakPolarHBondContact O-CA 3.24Å; L381-L384 WeakPolarHBondContact O-CB 3.27Å; L381-L384 PolarHBondContact O-N 2.94Å; L381-F385 HydrophobicContact CB-CD2 4.45Å; L381-F385 HydrophobicContact CD2-CE2 4.46Å; L381-F385 VanDerWaalsContact O-CD2 3.29Å; L381-F385 WeakPolarHBondContact O-CD2 3.43Å; L381-F385 PolarHBondContact O-N 2.88Å; L381-V414 HydrophobicContact CD2-CG1 4.08Å; L381-V414 HydrophobicContact CD2-CG2 3.85Å; L381-L512 HydrophobicContact CD1-CD2 4.09Å; L381-L512 VanDerWaalsContact CD1-O 3.27Å; L381-L512 WeakPolarHBondContact CD1-O 3.28Å; L381-L512 HydrophobicContact CG-CD2 4.24Å; L381-T515 HydrophobicContact CD1-CG2 3.7Å; L381-A516 HydrophobicContact CD1-CB 4.39Å; L381-A516 HydrophobicContact CD2-CB 4.24Å; L381-L519 HydrophobicContact CB-CD1 3.53Å
382	E	90.8	Very high	83.1	Confident	80 Å²	80	61.5 Å²	61.5	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-56.9	-39.3	177	-78.5	-177.8	-171.9	0	0	111.9	R378 R386 L519	R378-E382 HydrophobicContact CG-CG 4.15Å; R378-E382 WeakPolarHBondContact CG-OE1 3.4Å; R378-E382 WeakPolarHBondContact O-CB 3.46Å; R378-E382 WeakPolarHBondContact O-CG 3.27Å; R378-E382 PolarHBondContact O-N 3.01Å; E382-R386 WeakPolarHBondContact O-CB 3.46Å; E382-R386 PolarHBondContact O-N 2.7Å; E382-L519 HydrophobicContact CG-CD1 4.17Å; E382-L519 HydrophobicContact CG-CD2 4.03Å
383	K	90.7	Very high	85	Confident	161 Å²	161	62.8 Å²	62.8	70%	0.7	32%	0.318	S	S	*	.	H	α-helix	trans	-64.9	-45.3	173.6	-174	177.4	179.4	179.8	0	111.5	V379 F380 L381 R386 S387	V379-K383 WeakPolarHBondContact O-CB 3.35Å; V379-K383 PolarHBondContact O-N 3.46Å; V379-K383 VanDerWaalsContact O-N 3.1Å; F380-K383 PolarHBondContact O-N 2.86Å; L381-K383 PolarHBondContact O-N 3.36Å; K383-R386 PolarHBondContact O-N 3.06Å; K383-S387 PolarHBondContact O-N 3.08Å; K383-S387 VanDerWaalsContact O-N 3.14Å; K383-S387 PolarHBondContact O-OG 3.21Å
384	L	92.1	Very high	86.8	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.089	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-52.2	178	-172.9	67.7	0	0	0	111.4	F380 L381 R386 S387 G389 Y410 L413 V414	F380-L384 PolarHBondContact O-N 3.18Å; L381-L384 HydrophobicContact CD2-CD2 4.48Å; L381-L384 WeakPolarHBondContact O-CA 3.24Å; L381-L384 WeakPolarHBondContact O-CB 3.27Å; L381-L384 PolarHBondContact O-N 2.94Å; L384-R386 VanDerWaalsContact C-N 3.34Å; L384-R386 PolarHBondContact O-N 3.15Å; L384-S387 PolarHBondContact O-N 3.42Å; L384-S387 PolarHBondContact O-OG 2.85Å; L384-G389 VanDerWaalsContact O-CA 3.23Å; L384-G389 WeakPolarHBondContact O-CA 3.32Å; L384-G389 PolarHBondContact O-N 3.38Å; L384-Y410 HydrophobicContact CD1-CD1 3.82Å; L384-Y410 HydrophobicContact CD1-CE1 4.05Å; L384-Y410 HydrophobicContact CD2-CD1 4.47Å; L384-Y410 HydrophobicContact CG-CD1 4.32Å; L384-L413 HydrophobicContact CD1-CD1 4.44Å; L384-V414 HydrophobicContact CD2-CG2 3.7Å
385	F	90.5	Very high	88.6	Confident	17 Å²	17	60 Å²	60	8%	0.075	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-36.4	179.7	-83.5	-90.8	0	0	0	112.6	L381 S387 G388 G389 P390 V395 A516 L519	L381-F385 HydrophobicContact CB-CD2 4.45Å; L381-F385 HydrophobicContact CD2-CE2 4.46Å; L381-F385 VanDerWaalsContact O-CD2 3.29Å; L381-F385 WeakPolarHBondContact O-CD2 3.43Å; L381-F385 PolarHBondContact O-N 2.88Å; F385-S387 VanDerWaalsContact C-N 3.31Å; F385-S387 PolarHBondContact O-N 2.94Å; F385-G388 PolarHBondContact O-N 3.37Å; F385-G389 PolarHBondContact O-N 3.25Å; F385-P390 HydrophobicContact CE1-CG 3.88Å; F385-P390 WeakPolarHBondContact CE1-O 3.48Å; F385-P390 HydrophobicContact CE2-CG 4.12Å; F385-P390 HydrophobicContact CZ-CG 3.62Å; F385-V395 HydrophobicContact CZ-CG2 4.06Å; F385-A516 HydrophobicContact CE2-CB 4.11Å; F385-A516 HydrophobicContact CZ-CB 4.23Å; F385-A516 WeakPolarHBondContact CZ-O 3.45Å; F385-L519 HydrophobicContact CD1-CB 4.29Å; F385-L519 HydrophobicContact CD2-CB 3.92Å; F385-L519 HydrophobicContact CD2-CD1 3.95Å; F385-L519 HydrophobicContact CE1-CB 4.33Å; F385-L519 HydrophobicContact CE2-CB 3.97Å; F385-L519 HydrophobicContact CE2-CD1 4.29Å; F385-L519 HydrophobicContact CG-CB 4.08Å; F385-L519 HydrophobicContact CZ-CB 4.16Å
386	R	88.1	Confident	90.2	Very high	206 Å²	206	59.8 Å²	59.8	78%	0.777	29%	0.293	S	S	*	.	H	α-helix	trans	-64.9	-34.2	175.5	-171.9	-180	-62.9	-133.8	1.5	112.6	E382 K383 L384 G388	E382-R386 WeakPolarHBondContact O-CB 3.46Å; E382-R386 PolarHBondContact O-N 2.7Å; K383-R386 PolarHBondContact O-N 3.06Å; L384-R386 VanDerWaalsContact C-N 3.34Å; L384-R386 PolarHBondContact O-N 3.15Å; R386-G388 PolarHBondContact O-N 3.21Å
387	S	85.7	Confident	91.1	Very high	87 Å²	87	59.7 Å²	59.7	61%	0.608	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	18.8	179	57.2	0	0	0	0	115	K383 L384 F385	K383-S387 PolarHBondContact O-N 3.08Å; K383-S387 VanDerWaalsContact O-N 3.14Å; K383-S387 PolarHBondContact O-OG 3.21Å; L384-S387 PolarHBondContact O-N 3.42Å; L384-S387 PolarHBondContact O-OG 2.85Å; F385-S387 VanDerWaalsContact C-N 3.31Å; F385-S387 PolarHBondContact O-N 2.94Å
388	G	83.6	Confident	91.7	Very high	35 Å²	35	59.2 Å²	59.2	36%	0.361	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	39.4	-172.8	0	0	0	0	0	112.3	F385 R386 Y410	F385-G388 PolarHBondContact O-N 3.37Å; R386-G388 PolarHBondContact O-N 3.21Å; G388-Y410 PolarHBondContact O-OH 2.96Å
389	G	87.7	Confident	92.1	Very high	4 Å²	4	56.6 Å²	56.6	4%	0.041	29%	0.29	C	S	.	.			trans	-61.9	-170.4	176.5	0	0	0	0	0	113.9	L384 F385 R523	L384-G389 VanDerWaalsContact O-CA 3.23Å; L384-G389 WeakPolarHBondContact O-CA 3.32Å; L384-G389 PolarHBondContact O-N 3.38Å; F385-G389 PolarHBondContact O-N 3.25Å; G389-R523 PolarHBondContact O-NH1 3.41Å
390	P	92.2	Very high	92.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.295	C	S	.	.			trans	-60.8	150	-169.5	26.9	-34.6	0	0	0	112.1	F385 D394 V395 W398 Y410	F385-P390 HydrophobicContact CE1-CG 3.88Å; F385-P390 WeakPolarHBondContact CE1-O 3.48Å; F385-P390 HydrophobicContact CE2-CG 4.12Å; F385-P390 HydrophobicContact CZ-CG 3.62Å; P390-D394 HydrophobicContact CB-CB 3.8Å; P390-V395 HydrophobicContact CB-CG2 3.97Å; P390-V395 HydrophobicContact CG-CG2 3.88Å; P390-W398 HydrophobicContact CB-CH2 4.13Å; P390-W398 HydrophobicContact CB-CZ2 3.8Å; P390-W398 HydrophobicContact CG-CH2 3.7Å; P390-W398 HydrophobicContact CG-CZ2 3.9Å; P390-Y410 HydrophobicContact CB-CD2 3.83Å; P390-Y410 HydrophobicContact CB-CG 4.17Å; P390-Y410 HydrophobicContact CG-CD2 4.39Å; P390-Y410 HydrophobicContact CG-CG 4.33Å
391	T	92.5	Very high	92.8	Very high	51 Å²	51	59.5 Å²	59.5	31%	0.313	30%	0.295	S	S	.	.			trans	-75.2	175.9	169.3	76.9	0	0	0	0	110.3	E393 D394 V395	T391-E393 VanDerWaalsContact C-N 3.33Å; T391-E393 WeakPolarHBondContact CB-OE2 3.45Å; T391-E393 PolarHBondContact OG1-N 2.75Å; T391-E393 PolarHBondContact OG1-OE2 3.15Å; T391-D394 PolarHBondContact N-OD2 3.49Å; T391-D394 PolarHBondContact OG1-N 3.46Å; T391-D394 PolarHBondContact OG1-OD2 3.15Å; T391-V395 WeakPolarHBondContact O-CG2 3.39Å; T391-V395 PolarHBondContact O-N 2.86Å
392	R	92.9	Very high	93.1	Very high	69 Å²	69	59.5 Å²	59.5	26%	0.26	30%	0.295	S	S	.	.	H	α-helix	trans	-68.7	-39.4	176	-177.1	-178.9	165.8	-158.8	-19.3	111.2	D394 V395 E396 E524	R392-D394 VanDerWaalsContact C-N 3.32Å; R392-D394 PolarHBondContact O-N 3.06Å; R392-V395 PolarHBondContact O-N 3.35Å; R392-E396 HydrophobicContact CG-CG 4.23Å; R392-E396 IonicContact CZ-OE1 3.33Å; R392-E396 IonicContact NE-OE1 2.76Å; R392-E396 PolarHBondContact NE-OE1 3.07Å; R392-E396 IonicContact NH2-OE1 3Å; R392-E396 PolarHBondContact NH2-OE1 3.36Å; R392-E396 WeakPolarHBondContact O-CB 3.48Å; R392-E396 WeakPolarHBondContact O-CG 3.44Å; R392-E396 PolarHBondContact O-N 2.77Å; R392-E524 HydrophobicContact CB-CG 4.17Å; R392-E524 WeakPolarHBondContact CB-OE1 3.32Å; R392-E524 WeakPolarHBondContact CD-OE1 3.35Å; R392-E524 WeakPolarHBondContact CD-OE2 3.37Å; R392-E524 IonicContact CZ-OE2 3.7Å; R392-E524 IonicContact NE-OE2 3.75Å; R392-E524 IonicContact NH1-OE2 2.84Å; R392-E524 PolarHBondContact NH1-OE2 3.4Å
393	E	94.1	Very high	93.4	Very high	101 Å²	101	59.7 Å²	59.7	47%	0.472	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-46.4	176.2	-58.6	76.1	-167.2	0	0	110.1	T391 V395 E396 D397	T391-E393 VanDerWaalsContact C-N 3.33Å; T391-E393 WeakPolarHBondContact CB-OE2 3.45Å; T391-E393 PolarHBondContact OG1-N 2.75Å; T391-E393 PolarHBondContact OG1-OE2 3.15Å; E393-V395 VanDerWaalsContact C-N 3.33Å; E393-V395 PolarHBondContact O-N 3.03Å; E393-E396 PolarHBondContact O-N 3.23Å; E393-D397 WeakPolarHBondContact O-CB 3.38Å; E393-D397 VanDerWaalsContact O-CG 3.24Å; E393-D397 PolarHBondContact O-N 3.46Å
394	D	95.2	Very high	93.8	Very high	52 Å²	52	53.3 Å²	53.3	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-55.2	-48.1	175.3	-63.9	-30.2	0	0	0	111.3	P390 T391 R392 D397 W398	P390-D394 HydrophobicContact CB-CB 3.8Å; T391-D394 PolarHBondContact N-OD2 3.49Å; T391-D394 PolarHBondContact OG1-N 3.46Å; T391-D394 PolarHBondContact OG1-OD2 3.15Å; R392-D394 VanDerWaalsContact C-N 3.32Å; R392-D394 PolarHBondContact O-N 3.06Å; D394-D397 WeakPolarHBondContact O-CB 3.1Å; D394-D397 PolarHBondContact O-N 3.29Å; D394-W398 PolarHBondContact O-N 3.41Å; D394-W398 PolarHBondContact O-NE1 3.38Å; D394-W398 VanDerWaalsContact O-NE1 3.15Å
395	V	96.9	Very high	94.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.5	-37.8	-178.9	179	0	0	0	0	112	F385 P390 T391 R392 E393 D397 W398 Y513 A516 V517	F385-V395 HydrophobicContact CZ-CG2 4.06Å; P390-V395 HydrophobicContact CB-CG2 3.97Å; P390-V395 HydrophobicContact CG-CG2 3.88Å; T391-V395 WeakPolarHBondContact O-CG2 3.39Å; T391-V395 PolarHBondContact O-N 2.86Å; R392-V395 PolarHBondContact O-N 3.35Å; E393-V395 VanDerWaalsContact C-N 3.33Å; E393-V395 PolarHBondContact O-N 3.03Å; V395-D397 VanDerWaalsContact C-N 3.33Å; V395-W398 HydrophobicContact CB-CE3 4.34Å; V395-W398 HydrophobicContact CB-CZ3 4.46Å; V395-W398 HydrophobicContact CG1-CE3 4.08Å; V395-W398 HydrophobicContact CG1-CZ3 4.24Å; V395-W398 HydrophobicContact CG2-CE3 4.28Å; V395-W398 HydrophobicContact CG2-CH2 3.96Å; V395-W398 HydrophobicContact CG2-CZ2 4.29Å; V395-W398 HydrophobicContact CG2-CZ3 3.94Å; V395-W398 WeakPolarHBondContact O-CB 3.33Å; V395-W398 PolarHBondContact O-N 3.47Å; V395-Y513 HydrophobicContact CG1-CE2 4.07Å; V395-A516 HydrophobicContact CG1-CB 4.3Å; V395-V517 HydrophobicContact CG1-CB 4.37Å; V395-V517 HydrophobicContact CG1-CG2 3.62Å
396	E	96.1	Very high	94.4	Very high	61 Å²	61	52.2 Å²	52.2	29%	0.285	27%	0.267	S	S	.	.	H	α-helix	trans	-67.6	-34.4	175.5	-73	-179.5	175.5	0	0	111.5	R392 E393 W398 A399	R392-E396 HydrophobicContact CG-CG 4.23Å; R392-E396 IonicContact CZ-OE1 3.33Å; R392-E396 IonicContact NE-OE1 2.76Å; R392-E396 PolarHBondContact NE-OE1 3.07Å; R392-E396 IonicContact NH2-OE1 3Å; R392-E396 PolarHBondContact NH2-OE1 3.36Å; R392-E396 WeakPolarHBondContact O-CB 3.48Å; R392-E396 WeakPolarHBondContact O-CG 3.44Å; R392-E396 PolarHBondContact O-N 2.77Å; E393-E396 PolarHBondContact O-N 3.23Å; E396-W398 VanDerWaalsContact C-N 3.31Å; E396-W398 PolarHBondContact O-N 3.28Å; E396-A399 PolarHBondContact O-N 2.67Å
397	D	97.1	Very high	94.8	Very high	52 Å²	52	51.2 Å²	51.2	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-35.2	175.6	-77.2	4.1	0	0	0	112	E393 D394 V395 A399 R400 S404	E393-D397 WeakPolarHBondContact O-CB 3.38Å; E393-D397 VanDerWaalsContact O-CG 3.24Å; E393-D397 PolarHBondContact O-N 3.46Å; D394-D397 WeakPolarHBondContact O-CB 3.1Å; D394-D397 PolarHBondContact O-N 3.29Å; V395-D397 VanDerWaalsContact C-N 3.33Å; D397-A399 PolarHBondContact O-N 3.07Å; D397-A399 VanDerWaalsContact O-N 3.15Å; D397-R400 WeakPolarHBondContact O-CB 3.4Å; D397-R400 PolarHBondContact O-N 3.44Å; D397-R400 IonicContact OD1-CZ 2.85Å; D397-R400 IonicContact OD1-NE 3.51Å; D397-R400 IonicContact OD1-NH1 2.59Å; D397-R400 PolarHBondContact OD1-NH1 3.29Å; D397-R400 IonicContact OD1-NH2 3.17Å; D397-R400 PolarHBondContact OD1-NH2 3.33Å; D397-S404 WeakPolarHBondContact O-CB 3.42Å; D397-S404 PolarHBondContact O-OG 3.36Å
398	W	98.3	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.4	176.6	-60.6	-10.5	0	0	0	113.5	P390 D394 V395 E396 V405 D408 G411 V414 Y504 F507 Y513 A516	P390-W398 HydrophobicContact CB-CH2 4.13Å; P390-W398 HydrophobicContact CB-CZ2 3.8Å; P390-W398 HydrophobicContact CG-CH2 3.7Å; P390-W398 HydrophobicContact CG-CZ2 3.9Å; D394-W398 PolarHBondContact O-N 3.41Å; D394-W398 PolarHBondContact O-NE1 3.38Å; D394-W398 VanDerWaalsContact O-NE1 3.15Å; V395-W398 HydrophobicContact CB-CE3 4.34Å; V395-W398 HydrophobicContact CB-CZ3 4.46Å; V395-W398 HydrophobicContact CG1-CE3 4.08Å; V395-W398 HydrophobicContact CG1-CZ3 4.24Å; V395-W398 HydrophobicContact CG2-CE3 4.28Å; V395-W398 HydrophobicContact CG2-CH2 3.96Å; V395-W398 HydrophobicContact CG2-CZ2 4.29Å; V395-W398 HydrophobicContact CG2-CZ3 3.94Å; V395-W398 WeakPolarHBondContact O-CB 3.33Å; V395-W398 PolarHBondContact O-N 3.47Å; E396-W398 VanDerWaalsContact C-N 3.31Å; E396-W398 PolarHBondContact O-N 3.28Å; W398-V405 HydrophobicContact CB-CG2 3.85Å; W398-V405 HydrophobicContact CG-CG2 4.27Å; W398-V405 WeakPolarHBondContact O-CG2 3.41Å; W398-D408 VanDerWaalsContact CE2-OD2 3.23Å; W398-D408 WeakPolarHBondContact CZ2-OD2 3.5Å; W398-D408 PolarHBondContact NE1-OD2 3.47Å; W398-G411 VanDerWaalsContact CZ2-CA 3.5Å; W398-V414 HydrophobicContact CH2-CB 4.34Å; W398-V414 HydrophobicContact CH2-CG2 3.87Å; W398-V414 HydrophobicContact CZ3-CB 4.28Å; W398-V414 HydrophobicContact CZ3-CG1 4.41Å; W398-V414 HydrophobicContact CZ3-CG2 4.18Å; W398-Y504 WeakPolarHBondContact O-CE2 3.47Å; W398-Y504 PolarHBondContact O-OH 3.3Å; W398-F507 HydrophobicContact CE3-CZ 4.33Å; W398-Y513 HydrophobicContact CB-CE2 4.2Å; W398-Y513 HydrophobicContact CE3-CD2 4.16Å; W398-Y513 HydrophobicContact CE3-CE2 4.28Å; W398-A516 HydrophobicContact CZ3-CB 4.05Å
399	A	97.1	Very high	95.9	Very high	42 Å²	42	53.2 Å²	53.2	35%	0.347	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.6	174.8	0	0	0	0	0	114.1	E396 D397 Y504 L508 Y513	E396-A399 PolarHBondContact O-N 2.67Å; D397-A399 PolarHBondContact O-N 3.07Å; D397-A399 VanDerWaalsContact O-N 3.15Å; A399-Y504 PolarHBondContact O-OH 3.27Å; A399-L508 HydrophobicContact CB-CD2 4.1Å; A399-Y513 VanDerWaalsContact CB-OH 3.26Å; A399-Y513 WeakPolarHBondContact CB-OH 3.34Å
400	R	97.1	Very high	96.3	Very high	171 Å²	171	54.7 Å²	54.7	65%	0.645	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-42.9	-176.7	-62.2	-177	-172.8	152.3	13.7	111.8	D397	D397-R400 WeakPolarHBondContact O-CB 3.4Å; D397-R400 PolarHBondContact O-N 3.44Å; D397-R400 IonicContact OD1-CZ 2.85Å; D397-R400 IonicContact OD1-NE 3.51Å; D397-R400 IonicContact OD1-NH1 2.59Å; D397-R400 PolarHBondContact OD1-NH1 3.29Å; D397-R400 IonicContact OD1-NH2 3.17Å; D397-R400 PolarHBondContact OD1-NH2 3.33Å
401	S	97.5	Very high	96.6	Very high	43 Å²	43	54.7 Å²	54.7	30%	0.301	26%	0.257	S	S	.	.			trans	-158	153.1	179.6	66.8	0	0	0	0	112.3	E403 S404 V405 Y504	S401-E403 PolarHBondContact O-N 3.42Å; S401-S404 WeakPolarHBondContact O-CB 3.49Å; S401-S404 PolarHBondContact O-N 3.19Å; S401-S404 PolarHBondContact OG-N 2.91Å; S401-S404 PolarHBondContact OG-OG 3.27Å; S401-V405 PolarHBondContact O-N 2.97Å; S401-Y504 VanDerWaalsContact C-OH 3.24Å; S401-Y504 WeakPolarHBondContact CA-OH 3.25Å; S401-Y504 PolarHBondContact N-OH 2.83Å
402	F	98.4	Very high	96.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-33.3	174.4	-174.7	-128.1	0	0	0	112.1	S404 V405 L406 F415 Q496 M499 E500 Y504	F402-S404 PolarHBondContact O-N 3Å; F402-V405 HydrophobicContact CD2-CB 4.29Å; F402-V405 WeakPolarHBondContact O-CB 3.17Å; F402-V405 PolarHBondContact O-N 2.92Å; F402-L406 HydrophobicContact CD1-CD1 3.89Å; F402-L406 HydrophobicContact CD1-CG 4.35Å; F402-L406 HydrophobicContact CE1-CD1 3.63Å; F402-L406 HydrophobicContact CE1-CD2 4.29Å; F402-L406 HydrophobicContact CE1-CG 4.07Å; F402-L406 HydrophobicContact CE2-CD2 4.31Å; F402-L406 HydrophobicContact CE2-CG 4.34Å; F402-L406 HydrophobicContact CZ-CD1 4.09Å; F402-L406 HydrophobicContact CZ-CD2 3.89Å; F402-L406 HydrophobicContact CZ-CG 4.04Å; F402-L406 PolarHBondContact O-N 3.4Å; F402-F415 HydrophobicContact CE2-CD1 4.05Å; F402-F415 AromaticContact CE2-CE1 3.49Å; F402-F415 HydrophobicContact CE2-CE1 3.49Å; F402-F415 VanDerWaalsContact CE2-CE1 3.49Å; F402-F415 HydrophobicContact CE2-CE2 4.34Å; F402-F415 AromaticContact CE2-CZ 3.66Å; F402-F415 HydrophobicContact CE2-CZ 3.66Å; F402-F415 AromaticContact CZ-CE1 3.76Å; F402-F415 HydrophobicContact CZ-CE1 3.76Å; F402-F415 HydrophobicContact CZ-CZ 4.16Å; F402-Q496 HydrophobicContact CD1-CG 4.13Å; F402-Q496 HydrophobicContact CE1-CG 3.88Å; F402-M499 HydrophobicContact CE1-CB 3.91Å; F402-M499 HydrophobicContact CE1-CE 4.27Å; F402-M499 HydrophobicContact CE2-CB 4.45Å; F402-M499 HydrophobicContact CZ-CB 3.59Å; F402-M499 HydrophobicContact CZ-CE 3.99Å; F402-M499 HydrophobicContact CZ-SD 4.32Å; F402-E500 HydrophobicContact CB-CB 4.2Å; F402-E500 HydrophobicContact CB-CG 3.82Å; F402-E500 HydrophobicContact CD1-CB 3.63Å; F402-E500 HydrophobicContact CD1-CG 4.17Å; F402-E500 HydrophobicContact CE1-CB 4.23Å; F402-E500 HydrophobicContact CG-CB 4.06Å; F402-E500 HydrophobicContact CG-CG 4.23Å; F402-Y504 HydrophobicContact CB-CD1 3.89Å; F402-Y504 HydrophobicContact CB-CD2 4.25Å; F402-Y504 HydrophobicContact CB-CE1 4.04Å; F402-Y504 HydrophobicContact CB-CE2 4.38Å; F402-Y504 HydrophobicContact CB-CG 4.01Å; F402-Y504 HydrophobicContact CD2-CD1 4.4Å; F402-Y504 AromaticContact CD2-CD2 3.58Å; F402-Y504 HydrophobicContact CD2-CD2 3.58Å; F402-Y504 HydrophobicContact CD2-CE2 4.27Å; F402-Y504 AromaticContact CD2-CG 3.65Å; F402-Y504 HydrophobicContact CD2-CG 3.65Å; F402-Y504 HydrophobicContact CE2-CD2 4.41Å; F402-Y504 HydrophobicContact CE2-CG 4.49Å; F402-Y504 HydrophobicContact CG-CD1 4.45Å; F402-Y504 HydrophobicContact CG-CD2 4.35Å; F402-Y504 HydrophobicContact CG-CG 4.13Å
403	E	97.8	Very high	97.1	Very high	85 Å²	85	52.3 Å²	52.3	40%	0.397	25%	0.247	S	C	.	.	H	α-helix	trans	-57.6	-35.4	172.8	-174.4	63.3	-165.4	0	0	112.5	S401 V405 L406 R407	S401-E403 PolarHBondContact O-N 3.42Å; E403-V405 VanDerWaalsContact C-N 3.35Å; E403-L406 PolarHBondContact O-N 2.84Å; E403-R407 VanDerWaalsContact O-CB 3.32Å; E403-R407 WeakPolarHBondContact O-CB 3.37Å; E403-R407 PolarHBondContact O-N 3.15Å; E403-R407 IonicContact OE1-NH2 3.89Å; E403-R407 PolarHBondContact OE1-NH2 3.28Å
404	S	97.9	Very high	97.2	Very high	26 Å²	26	47.5 Å²	47.5	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-37.3	176.1	-55.5	0	0	0	0	111.5	D397 S401 F402 D408	D397-S404 WeakPolarHBondContact O-CB 3.42Å; D397-S404 PolarHBondContact O-OG 3.36Å; S401-S404 WeakPolarHBondContact O-CB 3.49Å; S401-S404 PolarHBondContact O-N 3.19Å; S401-S404 PolarHBondContact OG-N 2.91Å; S401-S404 PolarHBondContact OG-OG 3.27Å; F402-S404 PolarHBondContact O-N 3Å; S404-D408 PolarHBondContact O-N 3.24Å
405	V	98.5	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-43	173.4	-179.3	0	0	0	0	111.3	W398 S401 F402 E403 G411 V412 F415 Y504 F507	W398-V405 HydrophobicContact CB-CG2 3.85Å; W398-V405 HydrophobicContact CG-CG2 4.27Å; W398-V405 WeakPolarHBondContact O-CG2 3.41Å; S401-V405 PolarHBondContact O-N 2.97Å; F402-V405 HydrophobicContact CD2-CB 4.29Å; F402-V405 WeakPolarHBondContact O-CB 3.17Å; F402-V405 PolarHBondContact O-N 2.92Å; E403-V405 VanDerWaalsContact C-N 3.35Å; V405-G411 CarbonylContact O-C 3.55Å; V405-V412 WeakPolarHBondContact O-CG2 3.21Å; V405-V412 PolarHBondContact O-N 3.09Å; V405-F415 HydrophobicContact CG1-CB 3.71Å; V405-F415 HydrophobicContact CG1-CD1 4.46Å; V405-F415 HydrophobicContact CG1-CG 4.04Å; V405-Y504 HydrophobicContact CG2-CD2 4.23Å; V405-Y504 HydrophobicContact CG2-CE2 3.75Å; V405-F507 HydrophobicContact CG2-CE1 4.4Å
406	L	97.9	Very high	97.4	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-72.6	-30.4	-178.1	-66.7	178.4	0	0	0	113.3	F402 E403 V412 I428 W431 Q496	F402-L406 HydrophobicContact CD1-CD1 3.89Å; F402-L406 HydrophobicContact CD1-CG 4.35Å; F402-L406 HydrophobicContact CE1-CD1 3.63Å; F402-L406 HydrophobicContact CE1-CD2 4.29Å; F402-L406 HydrophobicContact CE1-CG 4.07Å; F402-L406 HydrophobicContact CE2-CD2 4.31Å; F402-L406 HydrophobicContact CE2-CG 4.34Å; F402-L406 HydrophobicContact CZ-CD1 4.09Å; F402-L406 HydrophobicContact CZ-CD2 3.89Å; F402-L406 HydrophobicContact CZ-CG 4.04Å; F402-L406 PolarHBondContact O-N 3.4Å; E403-L406 PolarHBondContact O-N 2.84Å; L406-V412 WeakPolarHBondContact O-CG2 3.42Å; L406-I428 HydrophobicContact CD2-CD1 3.55Å; L406-W431 HydrophobicContact CB-CH2 3.93Å; L406-W431 HydrophobicContact CB-CZ2 4.09Å; L406-W431 HydrophobicContact CB-CZ3 4.45Å; L406-W431 HydrophobicContact CD1-CD2 4.48Å; L406-W431 HydrophobicContact CD1-CH2 4.39Å; L406-W431 HydrophobicContact CD1-CZ2 3.77Å; L406-W431 HydrophobicContact CD2-CD2 4.2Å; L406-W431 HydrophobicContact CD2-CE3 4.16Å; L406-W431 HydrophobicContact CD2-CH2 4.38Å; L406-W431 HydrophobicContact CD2-CZ2 4.41Å; L406-W431 HydrophobicContact CD2-CZ3 4.25Å; L406-W431 HydrophobicContact CG-CH2 4.47Å; L406-W431 HydrophobicContact CG-CZ2 4.32Å; L406-Q496 HydrophobicContact CD1-CG 3.98Å
407	R	96.1	Very high	97.4	Very high	184 Å²	184	48.1 Å²	48.1	69%	0.694	22%	0.223	S	C	*	.	H	α-helix	trans	-73.9	-37.5	178.1	-175.4	-176.3	-53.1	-97.8	-15	112.7	E403	E403-R407 VanDerWaalsContact O-CB 3.32Å; E403-R407 WeakPolarHBondContact O-CB 3.37Å; E403-R407 PolarHBondContact O-N 3.15Å; E403-R407 IonicContact OE1-NH2 3.89Å; E403-R407 PolarHBondContact OE1-NH2 3.28Å
408	D	96.9	Very high	97.4	Very high	26 Å²	26	46 Å²	46	14%	0.139	21%	0.211	C	C	.	.	S	Bend	trans	-83.4	124.4	179.4	177.8	19.4	0	0	0	111.5	W398 S404 Y410 G411 V412	W398-D408 VanDerWaalsContact CE2-OD2 3.23Å; W398-D408 WeakPolarHBondContact CZ2-OD2 3.5Å; W398-D408 PolarHBondContact NE1-OD2 3.47Å; S404-D408 PolarHBondContact O-N 3.24Å; D408-Y410 PolarHBondContact O-N 2.97Å; D408-Y410 PolarHBondContact OD1-N 3.22Å; D408-G411 PolarHBondContact O-N 3.47Å; D408-G411 VanDerWaalsContact O-N 3.15Å; D408-G411 PolarHBondContact OD2-N 3.18Å; D408-V412 PolarHBondContact O-N 2.89Å
409	K	95.7	Very high	97.4	Very high	138 Å²	138	46 Å²	46	60%	0.6	21%	0.211	S	C	*	.	H	α-helix	trans	-54.8	-35.6	174.4	67.7	-177.5	179.4	177.1	0	112.3	L413	K409-L413 VanDerWaalsContact O-CG 3.27Å; K409-L413 WeakPolarHBondContact O-CG 3.3Å; K409-L413 PolarHBondContact O-N 3.39Å
410	Y	96.8	Very high	97.3	Very high	35 Å²	35	50 Å²	50	14%	0.137	22%	0.217	C	C	.	.	H	α-helix	trans	-78.9	-40.3	179	-62.7	-54.4	0	0	0	110.9	L384 G388 P390 D408 V412 L413 V414	L384-Y410 HydrophobicContact CD1-CD1 3.82Å; L384-Y410 HydrophobicContact CD1-CE1 4.05Å; L384-Y410 HydrophobicContact CD2-CD1 4.47Å; L384-Y410 HydrophobicContact CG-CD1 4.32Å; G388-Y410 PolarHBondContact O-OH 2.96Å; P390-Y410 HydrophobicContact CB-CD2 3.83Å; P390-Y410 HydrophobicContact CB-CG 4.17Å; P390-Y410 HydrophobicContact CG-CD2 4.39Å; P390-Y410 HydrophobicContact CG-CG 4.33Å; D408-Y410 PolarHBondContact O-N 2.97Å; D408-Y410 PolarHBondContact OD1-N 3.22Å; Y410-V412 PolarHBondContact O-N 3.23Å; Y410-L413 HydrophobicContact CD1-CD1 4.35Å; Y410-L413 WeakPolarHBondContact O-CB 3.34Å; Y410-L413 PolarHBondContact O-N 2.89Å; Y410-L413 VanDerWaalsContact O-N 3.08Å; Y410-V414 WeakPolarHBondContact O-CG2 3.34Å; Y410-V414 PolarHBondContact O-N 3.5Å
411	G	97.9	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-51.1	-51.3	170.7	0	0	0	0	0	112.4	W398 V405 D408 L413 V414 F415	W398-G411 VanDerWaalsContact CZ2-CA 3.5Å; V405-G411 CarbonylContact O-C 3.55Å; D408-G411 PolarHBondContact O-N 3.47Å; D408-G411 VanDerWaalsContact O-N 3.15Å; D408-G411 PolarHBondContact OD2-N 3.18Å; G411-L413 VanDerWaalsContact C-N 3.33Å; G411-L413 PolarHBondContact O-N 3.2Å; G411-V414 PolarHBondContact O-N 2.98Å; G411-F415 WeakPolarHBondContact O-CB 3.4Å; G411-F415 PolarHBondContact O-N 3.05Å
412	V	98.3	Very high	96.8	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-42.2	175.5	173.1	0	0	0	0	112.3	V405 L406 D408 Y410 R416 I428 L432	V405-V412 WeakPolarHBondContact O-CG2 3.21Å; V405-V412 PolarHBondContact O-N 3.09Å; L406-V412 WeakPolarHBondContact O-CG2 3.42Å; D408-V412 PolarHBondContact O-N 2.89Å; Y410-V412 PolarHBondContact O-N 3.23Å; V412-R416 WeakPolarHBondContact O-CB 3.35Å; V412-R416 PolarHBondContact O-N 3.05Å; V412-I428 HydrophobicContact CG1-CG1 4.31Å; V412-L432 HydrophobicContact CG1-CD1 3.85Å; V412-L432 HydrophobicContact CG1-CD2 4.01Å; V412-L432 HydrophobicContact CG1-CG 4.37Å
413	L	96.5	Very high	96.6	Very high	57 Å²	57	53.1 Å²	53.1	30%	0.298	24%	0.235	S	C	.	.	H	α-helix	trans	-65.7	-44.7	-179.2	-74.8	172.2	0	0	0	112.2	L384 K409 Y410 G411 E417	L384-L413 HydrophobicContact CD1-CD1 4.44Å; K409-L413 VanDerWaalsContact O-CG 3.27Å; K409-L413 WeakPolarHBondContact O-CG 3.3Å; K409-L413 PolarHBondContact O-N 3.39Å; Y410-L413 HydrophobicContact CD1-CD1 4.35Å; Y410-L413 WeakPolarHBondContact O-CB 3.34Å; Y410-L413 PolarHBondContact O-N 2.89Å; Y410-L413 VanDerWaalsContact O-N 3.08Å; G411-L413 VanDerWaalsContact C-N 3.33Å; G411-L413 PolarHBondContact O-N 3.2Å; L413-E417 PolarHBondContact O-N 2.71Å; L413-E417 VanDerWaalsContact O-N 3.09Å
414	V	97.4	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.8	-42.5	179.7	-177.8	0	0	0	0	110.4	F380 L381 L384 W398 Y410 G411 R416 E417 F418 F507 L512	F380-V414 HydrophobicContact CE1-CG2 4.31Å; L381-V414 HydrophobicContact CD2-CG1 4.08Å; L381-V414 HydrophobicContact CD2-CG2 3.85Å; L384-V414 HydrophobicContact CD2-CG2 3.7Å; W398-V414 HydrophobicContact CH2-CB 4.34Å; W398-V414 HydrophobicContact CH2-CG2 3.87Å; W398-V414 HydrophobicContact CZ3-CB 4.28Å; W398-V414 HydrophobicContact CZ3-CG1 4.41Å; W398-V414 HydrophobicContact CZ3-CG2 4.18Å; Y410-V414 WeakPolarHBondContact O-CG2 3.34Å; Y410-V414 PolarHBondContact O-N 3.5Å; G411-V414 PolarHBondContact O-N 2.98Å; V414-R416 VanDerWaalsContact C-N 3.34Å; V414-R416 PolarHBondContact O-N 3.34Å; V414-E417 PolarHBondContact O-N 3.1Å; V414-F418 PolarHBondContact O-N 3.14Å; V414-F507 HydrophobicContact CG1-CE2 3.92Å; V414-F507 HydrophobicContact CG1-CZ 4.17Å; V414-L512 HydrophobicContact CG1-CB 4.38Å; V414-L512 HydrophobicContact CG1-CD2 4.41Å
415	F	98.5	Very high	96.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-38.8	175.9	-173.8	-117	0	0	0	112.2	F402 V405 G411 F418 L419 I428 M499 F507	F402-F415 HydrophobicContact CE2-CD1 4.05Å; F402-F415 AromaticContact CE2-CE1 3.49Å; F402-F415 HydrophobicContact CE2-CE1 3.49Å; F402-F415 VanDerWaalsContact CE2-CE1 3.49Å; F402-F415 HydrophobicContact CE2-CE2 4.34Å; F402-F415 AromaticContact CE2-CZ 3.66Å; F402-F415 HydrophobicContact CE2-CZ 3.66Å; F402-F415 AromaticContact CZ-CE1 3.76Å; F402-F415 HydrophobicContact CZ-CE1 3.76Å; F402-F415 HydrophobicContact CZ-CZ 4.16Å; V405-F415 HydrophobicContact CG1-CB 3.71Å; V405-F415 HydrophobicContact CG1-CD1 4.46Å; V405-F415 HydrophobicContact CG1-CG 4.04Å; G411-F415 WeakPolarHBondContact O-CB 3.4Å; G411-F415 PolarHBondContact O-N 3.05Å; F415-F418 HydrophobicContact CD2-CD1 4.08Å; F415-F418 AromaticContact CE2-CD1 3.99Å; F415-F418 HydrophobicContact CE2-CD1 3.99Å; F415-F418 HydrophobicContact CE2-CE1 4.32Å; F415-F418 WeakPolarHBondContact O-CB 3.28Å; F415-F418 PolarHBondContact O-N 3.12Å; F415-L419 HydrophobicContact CD1-CD1 3.83Å; F415-L419 HydrophobicContact CD1-CG 4.35Å; F415-L419 HydrophobicContact CE1-CD1 3.47Å; F415-L419 VanDerWaalsContact CE1-CD1 3.47Å; F415-L419 HydrophobicContact CE1-CD2 4.39Å; F415-L419 HydrophobicContact CE1-CG 4.03Å; F415-L419 HydrophobicContact CE2-CD2 4.47Å; F415-L419 HydrophobicContact CE2-CG 4.42Å; F415-L419 HydrophobicContact CZ-CD1 3.96Å; F415-L419 HydrophobicContact CZ-CD2 4.04Å; F415-L419 HydrophobicContact CZ-CG 4.07Å; F415-L419 WeakPolarHBondContact O-CG 3.46Å; F415-L419 PolarHBondContact O-N 3.4Å; F415-I428 HydrophobicContact CD1-CD1 4.29Å; F415-I428 HydrophobicContact CD1-CG1 4.38Å; F415-M499 HydrophobicContact CE1-CB 4.43Å; F415-M499 HydrophobicContact CE1-SD 3.97Å; F415-M499 HydrophobicContact CZ-CB 4.37Å; F415-F507 HydrophobicContact CD2-CB 3.82Å; F415-F507 AromaticContact CD2-CD1 3.94Å; F415-F507 HydrophobicContact CD2-CD1 3.94Å; F415-F507 AromaticContact CD2-CD2 3.92Å; F415-F507 HydrophobicContact CD2-CD2 3.92Å; F415-F507 HydrophobicContact CD2-CE2 4.49Å; F415-F507 AromaticContact CD2-CG 3.6Å; F415-F507 HydrophobicContact CD2-CG 3.6Å; F415-F507 HydrophobicContact CE2-CB 3.76Å; F415-F507 HydrophobicContact CE2-CD1 4.5Å; F415-F507 HydrophobicContact CE2-CG 4.08Å
416	R	97.8	Very high	96.5	Very high	90 Å²	90	52.2 Å²	52.2	34%	0.34	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-40.6	173.5	-175.2	179.2	72.9	-174.7	1.6	112.2	V412 V414 F418 L419 R420 I428	V412-R416 WeakPolarHBondContact O-CB 3.35Å; V412-R416 PolarHBondContact O-N 3.05Å; V414-R416 VanDerWaalsContact C-N 3.34Å; V414-R416 PolarHBondContact O-N 3.34Å; R416-F418 VanDerWaalsContact C-N 3.28Å; R416-L419 PolarHBondContact O-N 3.29Å; R416-R420 PolarHBondContact O-N 3.47Å; R416-I428 HydrophobicContact CB-CG2 3.99Å; R416-I428 HydrophobicContact CG-CG2 3.8Å
417	E	95.7	Very high	96.6	Very high	37 Å²	37	52.1 Å²	52.1	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-37.9	175.4	-178.4	57.6	-165.2	0	0	111.2	H377 F380 L413 V414 R420 T421 L512	H377-E417 IonicContact CE1-OE1 3.77Å; H377-E417 IonicContact ND1-OE1 3.85Å; F380-E417 HydrophobicContact CD1-CB 4.47Å; F380-E417 HydrophobicContact CD1-CG 4.05Å; F380-E417 HydrophobicContact CE1-CB 3.97Å; F380-E417 HydrophobicContact CE1-CG 4.06Å; F380-E417 HydrophobicContact CZ-CB 4.27Å; L413-E417 PolarHBondContact O-N 2.71Å; L413-E417 VanDerWaalsContact O-N 3.09Å; V414-E417 PolarHBondContact O-N 3.1Å; E417-R420 WeakPolarHBondContact O-CB 3.48Å; E417-R420 PolarHBondContact O-N 3.31Å; E417-R420 IonicContact OE1-CZ 2.74Å; E417-R420 IonicContact OE1-NE 2.66Å; E417-R420 PolarHBondContact OE1-NE 2.61Å; E417-R420 IonicContact OE1-NH2 2.92Å; E417-R420 PolarHBondContact OE1-NH2 3.4Å; E417-R420 IonicContact OE2-CZ 3.79Å; E417-R420 IonicContact OE2-NE 3.92Å; E417-R420 PolarHBondContact OE2-NE 3.23Å; E417-R420 IonicContact OE2-NH2 2.83Å; E417-T421 PolarHBondContact O-N 2.9Å; E417-L512 HydrophobicContact CG-CD1 4.24Å; E417-L512 HydrophobicContact CG-CD2 4.27Å
418	F	97.2	Very high	96.7	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-51.4	171.7	167.7	-99.6	0	0	0	112	V414 F415 R416 R420 T421 E422 S503 R506 F507 L512	V414-F418 PolarHBondContact O-N 3.14Å; F415-F418 HydrophobicContact CD2-CD1 4.08Å; F415-F418 AromaticContact CE2-CD1 3.99Å; F415-F418 HydrophobicContact CE2-CD1 3.99Å; F415-F418 HydrophobicContact CE2-CE1 4.32Å; F415-F418 WeakPolarHBondContact O-CB 3.28Å; F415-F418 PolarHBondContact O-N 3.12Å; R416-F418 VanDerWaalsContact C-N 3.28Å; F418-R420 PolarHBondContact O-N 3.02Å; F418-T421 WeakPolarHBondContact O-CA 3.28Å; F418-T421 WeakPolarHBondContact O-CB 3.43Å; F418-T421 PolarHBondContact O-N 3.37Å; F418-T421 PolarHBondContact O-OG1 3.44Å; F418-E422 HydrophobicContact CE1-CG 4.47Å; F418-E422 HydrophobicContact CE2-CG 4.27Å; F418-E422 VanDerWaalsContact CE2-OE1 3.26Å; F418-E422 WeakPolarHBondContact CE2-OE1 3.35Å; F418-E422 HydrophobicContact CZ-CG 4.1Å; F418-E422 WeakPolarHBondContact CZ-OE1 3.27Å; F418-E422 PolarHBondContact O-N 3.2Å; F418-S503 WeakPolarHBondContact CE1-O 3.16Å; F418-R506 HydrophobicContact CZ-CB 3.79Å; F418-F507 HydrophobicContact CB-CD2 3.79Å; F418-F507 HydrophobicContact CB-CE2 4.33Å; F418-F507 HydrophobicContact CD1-CB 3.76Å; F418-F507 HydrophobicContact CD1-CD2 4.03Å; F418-F507 HydrophobicContact CD1-CG 4.33Å; F418-F507 HydrophobicContact CD2-CD2 4.27Å; F418-F507 HydrophobicContact CE1-CB 3.72Å; F418-F507 HydrophobicContact CG-CB 4.2Å; F418-F507 AromaticContact CG-CD2 3.75Å; F418-F507 HydrophobicContact CG-CD2 3.75Å; F418-F507 HydrophobicContact CG-CG 4.46Å; F418-F507 HydrophobicContact CZ-CB 4.11Å; F418-L512 VanDerWaalsContact CA-CD1 3.42Å; F418-L512 HydrophobicContact CB-CD1 3.64Å; F418-L512 HydrophobicContact CD2-CD1 4.46Å
419	L	97.7	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-30.9	178.4	-70.3	174.2	0	0	0	113	F415 R416 T421 E422 F423 S424 D425 I428 M499 S503	F415-L419 HydrophobicContact CD1-CD1 3.83Å; F415-L419 HydrophobicContact CD1-CG 4.35Å; F415-L419 HydrophobicContact CE1-CD1 3.47Å; F415-L419 VanDerWaalsContact CE1-CD1 3.47Å; F415-L419 HydrophobicContact CE1-CD2 4.39Å; F415-L419 HydrophobicContact CE1-CG 4.03Å; F415-L419 HydrophobicContact CE2-CD2 4.47Å; F415-L419 HydrophobicContact CE2-CG 4.42Å; F415-L419 HydrophobicContact CZ-CD1 3.96Å; F415-L419 HydrophobicContact CZ-CD2 4.04Å; F415-L419 HydrophobicContact CZ-CG 4.07Å; F415-L419 WeakPolarHBondContact O-CG 3.46Å; F415-L419 PolarHBondContact O-N 3.4Å; R416-L419 PolarHBondContact O-N 3.29Å; L419-T421 VanDerWaalsContact C-N 3.25Å; L419-T421 PolarHBondContact O-N 2.91Å; L419-E422 CarbonylContact O-C 3.52Å; L419-E422 PolarHBondContact O-N 3Å; L419-E422 VanDerWaalsContact O-N 3.08Å; L419-F423 PolarHBondContact O-N 2.84Å; L419-S424 WeakPolarHBondContact CD2-OG 3.46Å; L419-S424 PolarHBondContact O-N 3.04Å; L419-D425 HydrophobicContact CB-CB 4.24Å; L419-I428 HydrophobicContact CD1-CB 3.58Å; L419-I428 HydrophobicContact CD1-CG2 3.48Å; L419-I428 VanDerWaalsContact CD1-CG2 3.48Å; L419-M499 HydrophobicContact CD1-SD 4.12Å; L419-S503 VanDerWaalsContact CD2-CB 3.43Å
420	R	95.3	Very high	96.9	Very high	127 Å²	127	40 Å²	40	48%	0.479	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-31.9	173.3	-165.6	-167.9	63.6	68	0.4	112.2	R416 E417 F418 E422 D425	R416-R420 PolarHBondContact O-N 3.47Å; E417-R420 WeakPolarHBondContact O-CB 3.48Å; E417-R420 PolarHBondContact O-N 3.31Å; E417-R420 IonicContact OE1-CZ 2.74Å; E417-R420 IonicContact OE1-NE 2.66Å; E417-R420 PolarHBondContact OE1-NE 2.61Å; E417-R420 IonicContact OE1-NH2 2.92Å; E417-R420 PolarHBondContact OE1-NH2 3.4Å; E417-R420 IonicContact OE2-CZ 3.79Å; E417-R420 IonicContact OE2-NE 3.92Å; E417-R420 PolarHBondContact OE2-NE 3.23Å; E417-R420 IonicContact OE2-NH2 2.83Å; F418-R420 PolarHBondContact O-N 3.02Å; R420-E422 VanDerWaalsContact C-N 3.28Å; R420-D425 HydrophobicContact CB-CB 4.49Å
421	T	92.3	Very high	97	Very high	51 Å²	51	39.5 Å²	39.5	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-72.1	-25.7	174.3	71.3	0	0	0	0	112.6	H377 E417 F418 L419	H377-T421 WeakPolarHBondContact CE1-CG2 2.92Å; H377-T421 VanDerWaalsContact NE2-CG2 3.34Å; H377-T421 WeakPolarHBondContact NE2-CG2 3.47Å; E417-T421 PolarHBondContact O-N 2.9Å; F418-T421 WeakPolarHBondContact O-CA 3.28Å; F418-T421 WeakPolarHBondContact O-CB 3.43Å; F418-T421 PolarHBondContact O-N 3.37Å; F418-T421 PolarHBondContact O-OG1 3.44Å; L419-T421 VanDerWaalsContact C-N 3.25Å; L419-T421 PolarHBondContact O-N 2.91Å
422	E	93.2	Very high	97	Very high	41 Å²	41	41.9 Å²	41.9	19%	0.192	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	12.1	179.8	-54.5	-159.8	162	0	0	112.9	F418 L419 R420 S424 R506	F418-E422 HydrophobicContact CE1-CG 4.47Å; F418-E422 HydrophobicContact CE2-CG 4.27Å; F418-E422 VanDerWaalsContact CE2-OE1 3.26Å; F418-E422 WeakPolarHBondContact CE2-OE1 3.35Å; F418-E422 HydrophobicContact CZ-CG 4.1Å; F418-E422 WeakPolarHBondContact CZ-OE1 3.27Å; F418-E422 PolarHBondContact O-N 3.2Å; L419-E422 CarbonylContact O-C 3.52Å; L419-E422 PolarHBondContact O-N 3Å; L419-E422 VanDerWaalsContact O-N 3.08Å; R420-E422 VanDerWaalsContact C-N 3.28Å; E422-S424 PolarHBondContact O-N 2.99Å; E422-R506 IonicContact OE1-CZ 2.94Å; E422-R506 IonicContact OE1-NE 3.36Å; E422-R506 PolarHBondContact OE1-NE 3.14Å; E422-R506 IonicContact OE1-NH1 3.49Å; E422-R506 PolarHBondContact OE1-NH1 3.43Å; E422-R506 IonicContact OE1-NH2 2.64Å; E422-R506 PolarHBondContact OE1-NH2 3.4Å; E422-R506 IonicContact OE2-CZ 3.13Å; E422-R506 IonicContact OE2-NE 3.8Å; E422-R506 IonicContact OE2-NH1 2.8Å; E422-R506 PolarHBondContact OE2-NH1 3Å; E422-R506 IonicContact OE2-NH2 3.44Å; E422-R506 PolarHBondContact OE2-NH2 3.43Å
423	F	94	Very high	97	Very high	186 Å²	186	43.3 Å²	43.3	82%	0.816	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	39.8	-179.5	-58	-88.6	0	0	0	113.7	L419	L419-F423 PolarHBondContact O-N 2.84Å
424	S	96.8	Very high	97	Very high	16 Å²	16	40.7 Å²	40.7	11%	0.112	18%	0.183	C	C	.	.			trans	-133.4	23.9	-177.1	50.6	0	0	0	0	113.1	L419 E422 E426 N427	L419-S424 WeakPolarHBondContact CD2-OG 3.46Å; L419-S424 PolarHBondContact O-N 3.04Å; E422-S424 PolarHBondContact O-N 2.99Å; S424-E426 WeakPolarHBondContact CA-OE1 3.44Å; S424-E426 VanDerWaalsContact CA-OE2 3.24Å; S424-E426 WeakPolarHBondContact CA-OE2 3.38Å; S424-E426 PolarHBondContact O-N 2.8Å; S424-N427 PolarHBondContact O-N 2.64Å; S424-N427 PolarHBondContact O-ND2 3.36Å; S424-N427 VanDerWaalsContact O-ND2 3.12Å
425	D	97.3	Very high	97	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.214	19%	0.192	C	C	.	.	H	α-helix	trans	-72	-14.8	-176.9	77.9	-72	0	0	0	113.8	L419 R420 N427 I428 R429 R464	L419-D425 HydrophobicContact CB-CB 4.24Å; R420-D425 HydrophobicContact CB-CB 4.49Å; D425-N427 PolarHBondContact O-N 2.96Å; D425-I428 WeakPolarHBondContact O-CG2 3.41Å; D425-R429 WeakPolarHBondContact O-CB 3.29Å; D425-R429 PolarHBondContact O-N 3.36Å; D425-R429 VanDerWaalsContact O-N 3.13Å; D425-R464 IonicContact OD1-NH2 3.37Å; D425-R464 IonicContact OD2-NH2 2.71Å; D425-R464 PolarHBondContact OD2-NH2 3.44Å
426	E	98.2	Very high	96.8	Very high	36 Å²	36	46.2 Å²	46.2	17%	0.168	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-34.3	171.1	72.5	-65.6	154.2	0	0	112.6	S424 R429 F430 Y457 R464 V466	S424-E426 WeakPolarHBondContact CA-OE1 3.44Å; S424-E426 VanDerWaalsContact CA-OE2 3.24Å; S424-E426 WeakPolarHBondContact CA-OE2 3.38Å; S424-E426 PolarHBondContact O-N 2.8Å; E426-R429 PolarHBondContact O-N 2.81Å; E426-F430 VanDerWaalsContact O-CB 3.32Å; E426-F430 WeakPolarHBondContact O-CB 3.34Å; E426-F430 PolarHBondContact O-N 3.22Å; E426-Y457 HydrophobicContact CB-CE1 4.31Å; E426-R464 HydrophobicContact CB-CB 4.09Å; E426-V466 HydrophobicContact CG-CG1 4.26Å
427	N	98.1	Very high	96.8	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.059	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-51.4	-178.4	-63.4	-59.1	0	0	0	112	S424 D425 R429 F430 W431 V495 M499	S424-N427 PolarHBondContact O-N 2.64Å; S424-N427 PolarHBondContact O-ND2 3.36Å; S424-N427 VanDerWaalsContact O-ND2 3.12Å; D425-N427 PolarHBondContact O-N 2.96Å; N427-R429 VanDerWaalsContact C-N 3.3Å; N427-R429 PolarHBondContact O-N 3.27Å; N427-F430 PolarHBondContact O-N 2.8Å; N427-W431 PolarHBondContact O-N 3.45Å; N427-V495 HydrophobicContact CB-CG1 3.7Å; N427-M499 HydrophobicContact CB-CG 3.71Å; N427-M499 HydrophobicContact CB-SD 3.59Å; N427-M499 VanDerWaalsContact CB-SD 3.59Å
428	I	98.5	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.9	-32.8	177.9	-171.6	59.6	0	0	0	111.4	L406 V412 F415 R416 L419 D425 W431 L432 M499	L406-I428 HydrophobicContact CD2-CD1 3.55Å; V412-I428 HydrophobicContact CG1-CG1 4.31Å; F415-I428 HydrophobicContact CD1-CD1 4.29Å; F415-I428 HydrophobicContact CD1-CG1 4.38Å; R416-I428 HydrophobicContact CB-CG2 3.99Å; R416-I428 HydrophobicContact CG-CG2 3.8Å; L419-I428 HydrophobicContact CD1-CB 3.58Å; L419-I428 HydrophobicContact CD1-CG2 3.48Å; L419-I428 VanDerWaalsContact CD1-CG2 3.48Å; D425-I428 WeakPolarHBondContact O-CG2 3.41Å; I428-W431 HydrophobicContact CD1-CE3 4.42Å; I428-W431 PolarHBondContact O-N 3.21Å; I428-L432 HydrophobicContact CG1-CD1 4.43Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.38Å; I428-L432 PolarHBondContact O-N 3.27Å; I428-M499 HydrophobicContact CB-SD 3.93Å; I428-M499 HydrophobicContact CD1-CE 4.26Å; I428-M499 HydrophobicContact CD1-SD 4.37Å; I428-M499 PolarHBondContact N-SD 3.49Å; I428-M499 VanDerWaalsContact N-SD 3.41Å
429	R	98.4	Very high	96.5	Very high	94 Å²	94	48.2 Å²	48.2	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-67.7	-44.6	177.4	-177.2	176.6	-76.4	-95.6	1.9	111.6	D425 E426 N427 W431 L432 I433 Y457 R464	D425-R429 WeakPolarHBondContact O-CB 3.29Å; D425-R429 PolarHBondContact O-N 3.36Å; D425-R429 VanDerWaalsContact O-N 3.13Å; E426-R429 PolarHBondContact O-N 2.81Å; N427-R429 VanDerWaalsContact C-N 3.3Å; N427-R429 PolarHBondContact O-N 3.27Å; R429-W431 VanDerWaalsContact C-N 3.3Å; R429-W431 PolarHBondContact O-N 3.26Å; R429-L432 PolarHBondContact O-N 3.4Å; R429-I433 HydrophobicContact CG-CD1 3.85Å; R429-I433 HydrophobicContact CG-CG1 4.46Å; R429-I433 WeakPolarHBondContact O-CB 3.48Å; R429-I433 VanDerWaalsContact O-CG1 3.28Å; R429-I433 WeakPolarHBondContact O-CG1 3.2Å; R429-I433 PolarHBondContact O-N 3.34Å; R429-Y457 WeakPolarHBondContact CD-OH 3.46Å; R429-Y457 VanDerWaalsContact CG-OH 3.32Å; R429-Y457 WeakPolarHBondContact CG-OH 3.34Å; R429-R464 VanDerWaalsContact CD-CZ 3.44Å
430	F	98.7	Very high	96.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-47.3	173.3	173	-108.4	0	0	0	110.4	E426 N427 L432 I433 C434 I453 Y457 V458 V466 F488 C491 V495	E426-F430 VanDerWaalsContact O-CB 3.32Å; E426-F430 WeakPolarHBondContact O-CB 3.34Å; E426-F430 PolarHBondContact O-N 3.22Å; N427-F430 PolarHBondContact O-N 2.8Å; F430-L432 VanDerWaalsContact C-N 3.35Å; F430-L432 PolarHBondContact O-N 2.73Å; F430-I433 PolarHBondContact O-N 3.24Å; F430-I433 VanDerWaalsContact O-N 3.13Å; F430-C434 WeakPolarHBondContact CE2-SG 3.35Å; F430-C434 WeakPolarHBondContact CZ-SG 3.45Å; F430-C434 PolarHBondContact O-N 3.24Å; F430-C434 PolarHBondContact O-SG 3.36Å; F430-I453 HydrophobicContact CD2-CG2 4.31Å; F430-I453 HydrophobicContact CE2-CG2 3.93Å; F430-Y457 HydrophobicContact CB-CD1 3.77Å; F430-Y457 HydrophobicContact CB-CE1 4.18Å; F430-Y457 HydrophobicContact CB-CG 4.15Å; F430-Y457 VanDerWaalsContact CD2-CB 3.48Å; F430-Y457 HydrophobicContact CD2-CD1 4.2Å; F430-Y457 HydrophobicContact CD2-CD2 4.2Å; F430-Y457 AromaticContact CD2-CG 3.7Å; F430-Y457 HydrophobicContact CD2-CG 3.7Å; F430-Y457 HydrophobicContact CG-CD1 4.39Å; F430-Y457 HydrophobicContact CG-CG 4.34Å; F430-V458 HydrophobicContact CE2-CG2 3.81Å; F430-V458 HydrophobicContact CZ-CG2 4.09Å; F430-V466 HydrophobicContact CB-CG1 3.73Å; F430-V466 HydrophobicContact CD1-CG1 4.24Å; F430-V466 HydrophobicContact CD1-CG2 4.2Å; F430-V466 HydrophobicContact CE1-CG2 4.35Å; F430-V466 HydrophobicContact CG-CG1 3.99Å; F430-V466 HydrophobicContact CG-CG2 4.32Å; F430-F488 HydrophobicContact CE2-CD1 4.43Å; F430-F488 HydrophobicContact CZ-CD1 4.42Å; F430-C491 HydrophobicContact CE1-CB 3.94Å; F430-C491 HydrophobicContact CZ-CB 3.66Å; F430-V495 HydrophobicContact CD1-CB 4.06Å; F430-V495 HydrophobicContact CD1-CG1 4.2Å; F430-V495 HydrophobicContact CD1-CG2 3.72Å; F430-V495 HydrophobicContact CE1-CB 4.36Å; F430-V495 HydrophobicContact CE1-CG2 3.81Å
431	W	98.5	Very high	95.4	Very high	23 Å²	23	49 Å²	49	9%	0.087	23%	0.233	C	C	.	.	H	α-helix	trans	-55.6	-47.5	177	-171.9	95.4	0	0	0	112.3	L406 N427 I428 R429 I433 C434 E435 Q492 M499	L406-W431 HydrophobicContact CB-CH2 3.93Å; L406-W431 HydrophobicContact CB-CZ2 4.09Å; L406-W431 HydrophobicContact CB-CZ3 4.45Å; L406-W431 HydrophobicContact CD1-CD2 4.48Å; L406-W431 HydrophobicContact CD1-CH2 4.39Å; L406-W431 HydrophobicContact CD1-CZ2 3.77Å; L406-W431 HydrophobicContact CD2-CD2 4.2Å; L406-W431 HydrophobicContact CD2-CE3 4.16Å; L406-W431 HydrophobicContact CD2-CH2 4.38Å; L406-W431 HydrophobicContact CD2-CZ2 4.41Å; L406-W431 HydrophobicContact CD2-CZ3 4.25Å; L406-W431 HydrophobicContact CG-CH2 4.47Å; L406-W431 HydrophobicContact CG-CZ2 4.32Å; N427-W431 PolarHBondContact O-N 3.45Å; I428-W431 HydrophobicContact CD1-CE3 4.42Å; I428-W431 PolarHBondContact O-N 3.21Å; R429-W431 VanDerWaalsContact C-N 3.3Å; R429-W431 PolarHBondContact O-N 3.26Å; W431-I433 VanDerWaalsContact C-N 3.35Å; W431-I433 PolarHBondContact O-N 2.84Å; W431-C434 WeakPolarHBondContact O-CB 3.29Å; W431-C434 PolarHBondContact O-N 3.4Å; W431-E435 HydrophobicContact CD2-CG 4.24Å; W431-E435 HydrophobicContact CE3-CG 3.85Å; W431-E435 HydrophobicContact CH2-CG 3.59Å; W431-E435 HydrophobicContact CZ2-CG 4Å; W431-E435 HydrophobicContact CZ3-CG 3.52Å; W431-E435 PolarHBondContact O-N 3.32Å; W431-Q492 VanDerWaalsContact CD1-CG 3.46Å; W431-Q492 HydrophobicContact CG-CG 4.17Å; W431-Q492 PolarHBondContact O-NE2 3.05Å; W431-M499 HydrophobicContact CB-CE 4.08Å; W431-M499 HydrophobicContact CG-CE 4.33Å
432	L	98.1	Very high	95	Very high	50 Å²	50	48.9 Å²	48.9	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-37	177.3	-69.6	169.2	0	0	0	113.1	V412 I428 R429 F430 C434 E435 D436	V412-L432 HydrophobicContact CG1-CD1 3.85Å; V412-L432 HydrophobicContact CG1-CD2 4.01Å; V412-L432 HydrophobicContact CG1-CG 4.37Å; I428-L432 HydrophobicContact CG1-CD1 4.43Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.38Å; I428-L432 PolarHBondContact O-N 3.27Å; R429-L432 PolarHBondContact O-N 3.4Å; F430-L432 VanDerWaalsContact C-N 3.35Å; F430-L432 PolarHBondContact O-N 2.73Å; L432-C434 VanDerWaalsContact C-N 3.33Å; L432-E435 PolarHBondContact O-N 3.39Å; L432-D436 WeakPolarHBondContact O-CB 3.26Å; L432-D436 PolarHBondContact O-N 3.48Å
433	I	97.8	Very high	94.5	Very high	44 Å²	44	53.3 Å²	53.3	23%	0.226	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-37	176.6	-73.7	170.2	0	0	0	110.6	R429 F430 W431 D436 Y437 I453 Y457	R429-I433 HydrophobicContact CG-CD1 3.85Å; R429-I433 HydrophobicContact CG-CG1 4.46Å; R429-I433 WeakPolarHBondContact O-CB 3.48Å; R429-I433 VanDerWaalsContact O-CG1 3.28Å; R429-I433 WeakPolarHBondContact O-CG1 3.2Å; R429-I433 PolarHBondContact O-N 3.34Å; F430-I433 PolarHBondContact O-N 3.24Å; F430-I433 VanDerWaalsContact O-N 3.13Å; W431-I433 VanDerWaalsContact C-N 3.35Å; W431-I433 PolarHBondContact O-N 2.84Å; I433-D436 PolarHBondContact O-N 3.17Å; I433-Y437 WeakPolarHBondContact O-CB 2.95Å; I433-Y437 PolarHBondContact O-N 2.92Å; I433-I453 HydrophobicContact CG2-CB 4.46Å; I433-I453 HydrophobicContact CG2-CD1 3.57Å; I433-I453 HydrophobicContact CG2-CG1 3.52Å; I433-I453 HydrophobicContact CG2-CG2 4.15Å; I433-Y457 HydrophobicContact CD1-CD2 4.46Å; I433-Y457 HydrophobicContact CD1-CE2 3.45Å; I433-Y457 VanDerWaalsContact CD1-CE2 3.45Å; I433-Y457 WeakPolarHBondContact CD1-OH 3.34Å
434	C	97.8	Very high	94	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-43.2	173.9	-67.8	0	0	0	0	111.9	F430 W431 L432 D436 Y437 R438 F488 Q492	F430-C434 WeakPolarHBondContact CE2-SG 3.35Å; F430-C434 WeakPolarHBondContact CZ-SG 3.45Å; F430-C434 PolarHBondContact O-N 3.24Å; F430-C434 PolarHBondContact O-SG 3.36Å; W431-C434 WeakPolarHBondContact O-CB 3.29Å; W431-C434 PolarHBondContact O-N 3.4Å; L432-C434 VanDerWaalsContact C-N 3.33Å; C434-D436 PolarHBondContact O-N 2.59Å; C434-Y437 PolarHBondContact O-N 3.15Å; C434-R438 WeakPolarHBondContact O-CB 3.23Å; C434-R438 PolarHBondContact O-N 3.2Å; C434-F488 HydrophobicContact CB-CB 4.38Å; C434-Q492 HydrophobicContact CB-CB 4.1Å; C434-Q492 VanDerWaalsContact CB-CD 3.49Å; C434-Q492 HydrophobicContact CB-CG 3.93Å
435	E	96.5	Very high	93.6	Very high	41 Å²	41	57.7 Å²	57.7	19%	0.192	29%	0.293	C	S	.	.	H	α-helix	trans	-57.3	-49.4	172.1	-70.3	-57.4	104.6	0	0	111.8	W431 L432 Y437 R438 N439 Q492	W431-E435 HydrophobicContact CD2-CG 4.24Å; W431-E435 HydrophobicContact CE3-CG 3.85Å; W431-E435 HydrophobicContact CH2-CG 3.59Å; W431-E435 HydrophobicContact CZ2-CG 4Å; W431-E435 HydrophobicContact CZ3-CG 3.52Å; W431-E435 PolarHBondContact O-N 3.32Å; L432-E435 PolarHBondContact O-N 3.39Å; E435-Y437 VanDerWaalsContact C-N 3.32Å; E435-Y437 PolarHBondContact O-N 3.27Å; E435-R438 PolarHBondContact O-N 3.33Å; E435-R438 IonicContact OE1-CZ 2.69Å; E435-R438 IonicContact OE1-NH1 2.7Å; E435-R438 PolarHBondContact OE1-NH1 3.38Å; E435-R438 IonicContact OE1-NH2 3.73Å; E435-R438 PolarHBondContact OE1-NH2 3.28Å; E435-R438 IonicContact OE2-CZ 3.3Å; E435-R438 IonicContact OE2-NH2 3.41Å; E435-R438 PolarHBondContact OE2-NH2 2.98Å; E435-N439 WeakPolarHBondContact O-CB 3.37Å; E435-N439 PolarHBondContact O-N 3.37Å; E435-N439 PolarHBondContact O-ND2 3.47Å; E435-Q492 PolarHBondContact OE1-NE2 3.22Å; E435-Q492 PolarHBondContact OE1-OE1 2.9Å
436	D	95.4	Very high	93.4	Very high	75 Å²	75	56.4 Å²	56.4	40%	0.401	29%	0.285	S	S	.	.	H	α-helix	trans	-65.3	-37.1	179	-87.8	-5.2	0	0	0	112	L432 I433 C434 K440	L432-D436 WeakPolarHBondContact O-CB 3.26Å; L432-D436 PolarHBondContact O-N 3.48Å; I433-D436 PolarHBondContact O-N 3.17Å; C434-D436 PolarHBondContact O-N 2.59Å; D436-K440 HydrophobicContact CB-CD 4.38Å; D436-K440 WeakPolarHBondContact O-CA 3.19Å; D436-K440 VanDerWaalsContact O-CB 3.24Å; D436-K440 WeakPolarHBondContact O-CB 3.43Å; D436-K440 PolarHBondContact O-N 3.02Å; D436-K440 VanDerWaalsContact OD1-CE 3.31Å; D436-K440 WeakPolarHBondContact OD1-CE 3.39Å; D436-K440 IonicContact OD1-NZ 3.7Å; D436-K440 PolarHBondContact OD1-NZ 2.83Å; D436-K440 IonicContact OD2-NZ 3.71Å; D436-K440 PolarHBondContact OD2-NZ 2.85Å
437	Y	96.6	Very high	93.2	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-48.2	176.2	172.5	-96.4	0	0	0	110.9	I433 C434 E435 N439 S441 M446 K449 A450 I453 N484 F488	I433-Y437 WeakPolarHBondContact O-CB 2.95Å; I433-Y437 PolarHBondContact O-N 2.92Å; C434-Y437 PolarHBondContact O-N 3.15Å; E435-Y437 VanDerWaalsContact C-N 3.32Å; E435-Y437 PolarHBondContact O-N 3.27Å; Y437-N439 PolarHBondContact O-N 3.46Å; Y437-S441 WeakPolarHBondContact CA-OG 3.43Å; Y437-S441 WeakPolarHBondContact CD2-OG 3.47Å; Y437-S441 WeakPolarHBondContact O-CB 3.48Å; Y437-S441 PolarHBondContact O-N 3.43Å; Y437-S441 PolarHBondContact O-OG 3.26Å; Y437-M446 HydrophobicContact CD2-SD 4.1Å; Y437-M446 HydrophobicContact CE1-SD 3.95Å; Y437-M446 HydrophobicContact CE2-CG 4.16Å; Y437-M446 HydrophobicContact CE2-SD 3.34Å; Y437-M446 WeakPolarHBondContact CE2-SD 3.39Å; Y437-M446 WeakPolarHBondContact OH-CG 3.4Å; Y437-M446 PolarHBondContact OH-SD 2.88Å; Y437-K449 HydrophobicContact CD2-CB 4.13Å; Y437-K449 HydrophobicContact CE2-CB 4.27Å; Y437-A450 HydrophobicContact CE2-CB 3.87Å; Y437-I453 HydrophobicContact CD2-CD1 3.63Å; Y437-I453 HydrophobicContact CE2-CD1 4.47Å; Y437-I453 HydrophobicContact CG-CD1 3.86Å; Y437-N484 WeakPolarHBondContact CE1-O 3.21Å; Y437-N484 VanDerWaalsContact CZ-O 3.32Å; Y437-N484 PolarHBondContact OH-O 3.39Å; Y437-F488 AromaticContact CD1-CD2 3.64Å; Y437-F488 HydrophobicContact CD1-CD2 3.64Å; Y437-F488 HydrophobicContact CD1-CE2 4.09Å; Y437-F488 HydrophobicContact CD2-CE2 4.29Å; Y437-F488 AromaticContact CE1-CD2 3.65Å; Y437-F488 HydrophobicContact CE1-CD2 3.65Å; Y437-F488 AromaticContact CE1-CE2 3.89Å; Y437-F488 HydrophobicContact CE1-CE2 3.89Å; Y437-F488 HydrophobicContact CE2-CE2 4.11Å; Y437-F488 HydrophobicContact CG-CD2 4.13Å; Y437-F488 HydrophobicContact CG-CE2 4.27Å; Y437-F488 AromaticContact CZ-CE2 3.9Å
438	R	94.9	Very high	93	Very high	60 Å²	60	66.7 Å²	66.7	23%	0.226	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-41	-179.5	-170.6	169.8	69.9	-103.3	-2.8	112.5	C434 E435 K485 Q492	C434-R438 WeakPolarHBondContact O-CB 3.23Å; C434-R438 PolarHBondContact O-N 3.2Å; E435-R438 PolarHBondContact O-N 3.33Å; E435-R438 IonicContact OE1-CZ 2.69Å; E435-R438 IonicContact OE1-NH1 2.7Å; E435-R438 PolarHBondContact OE1-NH1 3.38Å; E435-R438 IonicContact OE1-NH2 3.73Å; E435-R438 PolarHBondContact OE1-NH2 3.28Å; E435-R438 IonicContact OE2-CZ 3.3Å; E435-R438 IonicContact OE2-NH2 3.41Å; E435-R438 PolarHBondContact OE2-NH2 2.98Å; R438-K485 HydrophobicContact CG-CB 4.33Å; R438-K485 WeakPolarHBondContact CG-O 3.41Å; R438-Q492 VanDerWaalsContact NH1-OE1 3.11Å
439	N	92.8	Very high	92.9	Very high	111 Å²	111	70.7 Å²	70.7	59%	0.594	34%	0.342	S	S	*	.	H	α-helix	trans	-91	-31.6	-172.2	-64.9	-38.5	0	0	0	114.3	E435 Y437	E435-N439 WeakPolarHBondContact O-CB 3.37Å; E435-N439 PolarHBondContact O-N 3.37Å; E435-N439 PolarHBondContact O-ND2 3.47Å; Y437-N439 PolarHBondContact O-N 3.46Å
440	K	88.5	Confident	92.8	Very high	137 Å²	137	66.2 Å²	66.2	60%	0.596	33%	0.325	S	S	*	.	H	α-helix	trans	-117.9	-0.3	-169.1	-55.6	172	-179.7	159.7	0	114.3	D436 G442	D436-K440 HydrophobicContact CB-CD 4.38Å; D436-K440 WeakPolarHBondContact O-CA 3.19Å; D436-K440 VanDerWaalsContact O-CB 3.24Å; D436-K440 WeakPolarHBondContact O-CB 3.43Å; D436-K440 PolarHBondContact O-N 3.02Å; D436-K440 VanDerWaalsContact OD1-CE 3.31Å; D436-K440 WeakPolarHBondContact OD1-CE 3.39Å; D436-K440 IonicContact OD1-NZ 3.7Å; D436-K440 PolarHBondContact OD1-NZ 2.83Å; D436-K440 IonicContact OD2-NZ 3.71Å; D436-K440 PolarHBondContact OD2-NZ 2.85Å; K440-G442 PolarHBondContact O-N 3.05Å
441	S	82	Confident	92.7	Very high	7 Å²	7	70.6 Å²	70.6	5%	0.049	34%	0.344	C	S	.	.			trans	-85.3	108.3	177.5	-59.9	0	0	0	0	111.3	Y437 M446 K449	Y437-S441 WeakPolarHBondContact CA-OG 3.43Å; Y437-S441 WeakPolarHBondContact CD2-OG 3.47Å; Y437-S441 WeakPolarHBondContact O-CB 3.48Å; Y437-S441 PolarHBondContact O-N 3.43Å; Y437-S441 PolarHBondContact O-OG 3.26Å; S441-M446 WeakPolarHBondContact CB-SD 3.37Å; S441-M446 WeakPolarHBondContact O-CE 3.18Å; S441-K449 VanDerWaalsContact OG-CD 3.29Å; S441-K449 WeakPolarHBondContact OG-CD 3.44Å
442	G	83.4	Confident	92.7	Very high	48 Å²	48	76.2 Å²	76.2	50%	0.495	37%	0.369	S	S	.	.			trans	-70	151.1	165.5	0	0	0	0	0	111.5	K440 K444 N445 M446	K440-G442 PolarHBondContact O-N 3.05Å; G442-K444 PolarHBondContact O-N 3.45Å; G442-K444 VanDerWaalsContact O-N 3.12Å; G442-N445 PolarHBondContact O-N 3.16Å; G442-N445 VanDerWaalsContact O-N 3.1Å; G442-M446 PolarHBondContact O-N 3.47Å
443	T	82.5	Confident	92.7	Very high	133 Å²	133	74.6 Å²	74.6	82%	0.816	36%	0.361	S	S	*	.	H	α-helix	trans	-50.1	-41.5	-175	-44.9	0	0	0	0	113.2	N445 M446	T443-N445 VanDerWaalsContact C-N 3.29Å; T443-N445 PolarHBondContact O-N 3.4Å; T443-M446 PolarHBondContact O-N 3.24Å
444	K	83.9	Confident	92.7	Very high	205 Å²	205	73.2 Å²	73.2	89%	0.891	35%	0.353	S	S	*	.	H	α-helix	trans	-61.3	-31.1	-176.7	-65.3	-175.9	179	-179.3	0	114.4	G442	G442-K444 PolarHBondContact O-N 3.45Å; G442-K444 VanDerWaalsContact O-N 3.12Å
445	N	87.7	Confident	92.7	Very high	90 Å²	90	77.9 Å²	77.9	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-112.1	1	-176.4	-71	-16.2	0	0	0	113.1	G442 T443 Q447 R448 K449	G442-N445 PolarHBondContact O-N 3.16Å; G442-N445 VanDerWaalsContact O-N 3.1Å; T443-N445 VanDerWaalsContact C-N 3.29Å; T443-N445 PolarHBondContact O-N 3.4Å; N445-Q447 PolarHBondContact O-N 2.9Å; N445-R448 PolarHBondContact O-N 3.2Å; N445-K449 WeakPolarHBondContact O-CG 3.38Å; N445-K449 PolarHBondContact O-N 3.48Å
446	M	93.6	Very high	92.8	Very high	13 Å²	13	78.9 Å²	78.9	6%	0.064	38%	0.383	C	S	.	.	H	α-helix	trans	-56.7	-54.2	-174.9	-171.2	70.1	80.4	0	0	111.3	Y437 S441 G442 T443 R448 K449 A450 K485	Y437-M446 HydrophobicContact CD2-SD 4.1Å; Y437-M446 HydrophobicContact CE1-SD 3.95Å; Y437-M446 HydrophobicContact CE2-CG 4.16Å; Y437-M446 HydrophobicContact CE2-SD 3.34Å; Y437-M446 WeakPolarHBondContact CE2-SD 3.39Å; Y437-M446 WeakPolarHBondContact OH-CG 3.4Å; Y437-M446 PolarHBondContact OH-SD 2.88Å; S441-M446 WeakPolarHBondContact CB-SD 3.37Å; S441-M446 WeakPolarHBondContact O-CE 3.18Å; G442-M446 PolarHBondContact O-N 3.47Å; T443-M446 PolarHBondContact O-N 3.24Å; M446-R448 PolarHBondContact O-N 2.95Å; M446-K449 PolarHBondContact O-N 3.31Å; M446-A450 WeakPolarHBondContact O-CB 3.38Å; M446-A450 PolarHBondContact O-N 3.14Å; M446-K485 HydrophobicContact CE-CG 3.69Å
447	Q	93.6	Very high	93	Very high	65 Å²	65	75.3 Å²	75.3	30%	0.304	36%	0.364	S	S	.	.	H	α-helix	trans	-55.9	-48.4	-178.7	-168.2	66.9	21.5	0	0	112.8	N445 K449 A450 F451 L480 A483	N445-Q447 PolarHBondContact O-N 2.9Å; Q447-K449 PolarHBondContact O-N 3Å; Q447-A450 PolarHBondContact O-N 3.42Å; Q447-F451 HydrophobicContact CG-CD2 4.03Å; Q447-F451 HydrophobicContact CG-CE2 3.87Å; Q447-F451 VanDerWaalsContact O-CD2 3.3Å; Q447-F451 WeakPolarHBondContact O-CD2 3.26Å; Q447-F451 PolarHBondContact O-N 2.69Å; Q447-L480 PolarHBondContact NE2-O 3.34Å; Q447-L480 PolarHBondContact OE1-O 3.23Å; Q447-A483 VanDerWaalsContact OE1-CB 3.26Å
448	R	94.4	Very high	93.1	Very high	198 Å²	198	75.1 Å²	75.1	75%	0.747	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-39.6	-179.6	-71.1	-178.3	177.6	170.7	-1.3	112	N445 M446 K452	N445-R448 PolarHBondContact O-N 3.2Å; M446-R448 PolarHBondContact O-N 2.95Å; R448-K452 PolarHBondContact O-N 3.44Å
449	K	95.8	Very high	93.2	Very high	84 Å²	84	73.1 Å²	73.1	37%	0.365	36%	0.359	S	S	.	.	H	α-helix	trans	-66.4	-43.5	175.3	-73.2	-179.5	177.7	-171.7	0	111	Y437 S441 N445 M446 Q447 K452 I453	Y437-K449 HydrophobicContact CD2-CB 4.13Å; Y437-K449 HydrophobicContact CE2-CB 4.27Å; S441-K449 VanDerWaalsContact OG-CD 3.29Å; S441-K449 WeakPolarHBondContact OG-CD 3.44Å; N445-K449 WeakPolarHBondContact O-CG 3.38Å; N445-K449 PolarHBondContact O-N 3.48Å; M446-K449 PolarHBondContact O-N 3.31Å; Q447-K449 PolarHBondContact O-N 3Å; K449-K452 PolarHBondContact O-N 3.34Å; K449-I453 VanDerWaalsContact O-CG1 3.26Å; K449-I453 WeakPolarHBondContact O-CG1 3.45Å; K449-I453 PolarHBondContact O-N 3.03Å
450	A	97.2	Very high	93.3	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-49.9	178.5	0	0	0	0	0	111.7	Y437 M446 Q447 K452 I453 F454 L480 A483 F488	Y437-A450 HydrophobicContact CE2-CB 3.87Å; M446-A450 WeakPolarHBondContact O-CB 3.38Å; M446-A450 PolarHBondContact O-N 3.14Å; Q447-A450 PolarHBondContact O-N 3.42Å; A450-K452 VanDerWaalsContact C-N 3.29Å; A450-K452 PolarHBondContact O-N 2.96Å; A450-I453 PolarHBondContact O-N 3.33Å; A450-F454 WeakPolarHBondContact O-CB 3.37Å; A450-F454 PolarHBondContact O-N 2.92Å; A450-L480 HydrophobicContact CB-CD2 3.97Å; A450-A483 HydrophobicContact CB-CB 3.62Å; A450-F488 HydrophobicContact CB-CE2 4.11Å; A450-F488 HydrophobicContact CB-CZ 4.22Å; A450-F488 WeakPolarHBondContact O-CZ 3.31Å
451	F	96.7	Very high	93.6	Very high	91 Å²	91	74.3 Å²	74.3	40%	0.399	37%	0.37	S	S	.	.	H	α-helix	trans	-58.3	-40.1	175.5	-84.2	-63.2	0	0	0	113.1	Q447 F454 N455 L480	Q447-F451 HydrophobicContact CG-CD2 4.03Å; Q447-F451 HydrophobicContact CG-CE2 3.87Å; Q447-F451 VanDerWaalsContact O-CD2 3.3Å; Q447-F451 WeakPolarHBondContact O-CD2 3.26Å; Q447-F451 PolarHBondContact O-N 2.69Å; F451-F454 PolarHBondContact O-N 3.41Å; F451-N455 WeakPolarHBondContact O-CB 3.44Å; F451-N455 PolarHBondContact O-N 2.95Å; F451-N455 PolarHBondContact O-ND2 2.93Å; F451-L480 HydrophobicContact CD1-CD1 4.11Å; F451-L480 HydrophobicContact CE1-CB 4.29Å; F451-L480 HydrophobicContact CE1-CD1 4.09Å
452	K	97.1	Very high	94.3	Very high	142 Å²	142	74.6 Å²	74.6	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-63.6	-46.1	177.3	-174	179.7	177.5	-177.6	0	111.8	R448 K449 A450 F454 N455 E456	R448-K452 PolarHBondContact O-N 3.44Å; K449-K452 PolarHBondContact O-N 3.34Å; A450-K452 VanDerWaalsContact C-N 3.29Å; A450-K452 PolarHBondContact O-N 2.96Å; K452-F454 VanDerWaalsContact C-N 3.33Å; K452-N455 PolarHBondContact O-N 3.08Å; K452-E456 WeakPolarHBondContact O-CB 3.38Å; K452-E456 PolarHBondContact O-N 3.46Å
453	I	98.3	Very high	95	Very high	15 Å²	15	77.2 Å²	77.2	8%	0.077	39%	0.389	C	S	.	.	H	α-helix	trans	-62.2	-44.9	179	-64.3	167.8	0	0	0	110.1	F430 I433 Y437 K449 A450 E456 Y457 F488	F430-I453 HydrophobicContact CD2-CG2 4.31Å; F430-I453 HydrophobicContact CE2-CG2 3.93Å; I433-I453 HydrophobicContact CG2-CB 4.46Å; I433-I453 HydrophobicContact CG2-CD1 3.57Å; I433-I453 HydrophobicContact CG2-CG1 3.52Å; I433-I453 HydrophobicContact CG2-CG2 4.15Å; Y437-I453 HydrophobicContact CD2-CD1 3.63Å; Y437-I453 HydrophobicContact CE2-CD1 4.47Å; Y437-I453 HydrophobicContact CG-CD1 3.86Å; K449-I453 VanDerWaalsContact O-CG1 3.26Å; K449-I453 WeakPolarHBondContact O-CG1 3.45Å; K449-I453 PolarHBondContact O-N 3.03Å; A450-I453 PolarHBondContact O-N 3.33Å; I453-E456 PolarHBondContact O-N 3.04Å; I453-Y457 PolarHBondContact O-N 3.33Å; I453-F488 HydrophobicContact CB-CE1 4.28Å; I453-F488 HydrophobicContact CB-CE2 4.07Å; I453-F488 HydrophobicContact CB-CZ 3.73Å; I453-F488 HydrophobicContact CD1-CD2 4.47Å; I453-F488 HydrophobicContact CD1-CE2 3.96Å; I453-F488 HydrophobicContact CG2-CD1 4.21Å; I453-F488 HydrophobicContact CG2-CD2 4.43Å; I453-F488 HydrophobicContact CG2-CE1 3.78Å; I453-F488 HydrophobicContact CG2-CE2 4.03Å; I453-F488 HydrophobicContact CG2-CZ 3.69Å
454	F	98.4	Very high	95.7	Very high	15 Å²	15	74 Å²	74	7%	0.066	36%	0.362	C	S	.	.	I	π-helix	trans	-60.5	-50.1	178.8	-179.1	-94.7	0	0	0	112	A450 F451 K452 E456 Y457 V458 A459 T476 E477 L480	A450-F454 WeakPolarHBondContact O-CB 3.37Å; A450-F454 PolarHBondContact O-N 2.92Å; F451-F454 PolarHBondContact O-N 3.41Å; K452-F454 VanDerWaalsContact C-N 3.33Å; F454-E456 VanDerWaalsContact C-N 3.28Å; F454-E456 PolarHBondContact O-N 3.36Å; F454-Y457 PolarHBondContact O-N 3.04Å; F454-V458 HydrophobicContact CD2-CB 3.61Å; F454-V458 HydrophobicContact CD2-CG1 3.58Å; F454-V458 HydrophobicContact CD2-CG2 4.47Å; F454-V458 HydrophobicContact CE2-CB 4.08Å; F454-V458 HydrophobicContact CE2-CG1 3.62Å; F454-V458 HydrophobicContact CG-CB 4.2Å; F454-V458 CarbonylContact O-C 3.6Å; F454-V458 WeakPolarHBondContact O-CA 3.41Å; F454-V458 PolarHBondContact O-N 3.21Å; F454-A459 HydrophobicContact CD1-CB 4.05Å; F454-A459 HydrophobicContact CE1-CB 3.8Å; F454-A459 HydrophobicContact CZ-CB 4.42Å; F454-A459 PolarHBondContact O-N 3.46Å; F454-T476 HydrophobicContact CD2-CG2 4.07Å; F454-T476 HydrophobicContact CE2-CG2 4.48Å; F454-E477 HydrophobicContact CE1-CG 4.49Å; F454-E477 HydrophobicContact CE2-CB 3.79Å; F454-E477 HydrophobicContact CE2-CG 4.33Å; F454-E477 HydrophobicContact CZ-CB 3.71Å; F454-E477 HydrophobicContact CZ-CG 3.77Å; F454-L480 HydrophobicContact CB-CD1 3.86Å; F454-L480 HydrophobicContact CB-CD2 3.99Å; F454-L480 HydrophobicContact CB-CG 4.47Å; F454-L480 HydrophobicContact CD1-CD1 3.66Å; F454-L480 HydrophobicContact CD2-CD1 3.68Å; F454-L480 HydrophobicContact CD2-CG 4.3Å; F454-L480 HydrophobicContact CE1-CD1 4.04Å; F454-L480 HydrophobicContact CE2-CD1 4.05Å; F454-L480 HydrophobicContact CG-CD1 3.47Å; F454-L480 VanDerWaalsContact CG-CD1 3.47Å; F454-L480 HydrophobicContact CG-CD2 4.4Å; F454-L480 HydrophobicContact CG-CG 4.36Å; F454-L480 HydrophobicContact CZ-CD1 4.22Å
455	N	98.2	Very high	96.3	Very high	101 Å²	101	67.3 Å²	67.3	54%	0.54	33%	0.334	S	S	.	.	I	π-helix	trans	-67.4	-27	-178.8	-71	-15.8	0	0	0	113.6	F451 K452 A462	F451-N455 WeakPolarHBondContact O-CB 3.44Å; F451-N455 PolarHBondContact O-N 2.95Å; F451-N455 PolarHBondContact O-ND2 2.93Å; K452-N455 PolarHBondContact O-N 3.08Å; N455-A462 VanDerWaalsContact O-CB 3.29Å; N455-A462 WeakPolarHBondContact O-CB 3.33Å
456	E	98.5	Very high	96.8	Very high	61 Å²	61	63 Å²	63	29%	0.285	31%	0.311	S	S	.	.	I	π-helix	trans	-85.3	-32.4	-179.3	-170.5	174.1	166.2	0	0	112.9	K452 I453 F454 A462 R464	K452-E456 WeakPolarHBondContact O-CB 3.38Å; K452-E456 PolarHBondContact O-N 3.46Å; I453-E456 PolarHBondContact O-N 3.04Å; F454-E456 VanDerWaalsContact C-N 3.28Å; F454-E456 PolarHBondContact O-N 3.36Å; E456-A462 WeakPolarHBondContact O-CB 3.48Å; E456-R464 CarbonylContact O-C 3.45Å; E456-R464 WeakPolarHBondContact O-CA 3.19Å; E456-R464 WeakPolarHBondContact O-CB 3.49Å; E456-R464 PolarHBondContact O-N 3.47Å; E456-R464 VanDerWaalsContact O-N 3.09Å
457	Y	98.7	Very high	97	Very high	1 Å²	1	68 Å²	68	0%	0.004	34%	0.338	C	S	.	.	I	π-helix	trans	-126.5	-29.9	-170.8	-66.2	-83	0	0	0	116.1	E426 R429 F430 I433 I453 F454 R464 E465 V466	E426-Y457 HydrophobicContact CB-CE1 4.31Å; R429-Y457 WeakPolarHBondContact CD-OH 3.46Å; R429-Y457 VanDerWaalsContact CG-OH 3.32Å; R429-Y457 WeakPolarHBondContact CG-OH 3.34Å; F430-Y457 HydrophobicContact CB-CD1 3.77Å; F430-Y457 HydrophobicContact CB-CE1 4.18Å; F430-Y457 HydrophobicContact CB-CG 4.15Å; F430-Y457 VanDerWaalsContact CD2-CB 3.48Å; F430-Y457 HydrophobicContact CD2-CD1 4.2Å; F430-Y457 HydrophobicContact CD2-CD2 4.2Å; F430-Y457 AromaticContact CD2-CG 3.7Å; F430-Y457 HydrophobicContact CD2-CG 3.7Å; F430-Y457 HydrophobicContact CG-CD1 4.39Å; F430-Y457 HydrophobicContact CG-CG 4.34Å; I433-Y457 HydrophobicContact CD1-CD2 4.46Å; I433-Y457 HydrophobicContact CD1-CE2 3.45Å; I433-Y457 VanDerWaalsContact CD1-CE2 3.45Å; I433-Y457 WeakPolarHBondContact CD1-OH 3.34Å; I453-Y457 PolarHBondContact O-N 3.33Å; F454-Y457 PolarHBondContact O-N 3.04Å; Y457-R464 HydrophobicContact CD1-CB 3.9Å; Y457-R464 VanDerWaalsContact CD1-O 3.27Å; Y457-R464 WeakPolarHBondContact CD1-O 3.18Å; Y457-R464 HydrophobicContact CE1-CB 3.73Å; Y457-E465 CarbonylContact O-C 3.58Å; Y457-E465 WeakPolarHBondContact O-CA 3.27Å; Y457-V466 HydrophobicContact CD1-CG1 4.19Å; Y457-V466 VanDerWaalsContact O-CG2 3.26Å; Y457-V466 WeakPolarHBondContact O-CG2 3Å; Y457-V466 PolarHBondContact O-N 3.5Å
458	V	98.4	Very high	97.1	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	33%	0.326	C	S	.	.	I	π-helix	trans	-107.1	-35.9	-167.4	-178.3	0	0	0	0	112.6	F430 F454 L468 R473 T476 F488	F430-V458 HydrophobicContact CE2-CG2 3.81Å; F430-V458 HydrophobicContact CZ-CG2 4.09Å; F454-V458 HydrophobicContact CD2-CB 3.61Å; F454-V458 HydrophobicContact CD2-CG1 3.58Å; F454-V458 HydrophobicContact CD2-CG2 4.47Å; F454-V458 HydrophobicContact CE2-CB 4.08Å; F454-V458 HydrophobicContact CE2-CG1 3.62Å; F454-V458 HydrophobicContact CG-CB 4.2Å; F454-V458 CarbonylContact O-C 3.6Å; F454-V458 WeakPolarHBondContact O-CA 3.41Å; F454-V458 PolarHBondContact O-N 3.21Å; V458-L468 HydrophobicContact CG1-CD1 4.1Å; V458-L468 HydrophobicContact CG2-CD1 4.45Å; V458-R473 HydrophobicContact CG1-CG 4.02Å; V458-R473 VanDerWaalsContact O-CD 3.27Å; V458-R473 WeakPolarHBondContact O-CD 3.41Å; V458-R473 WeakPolarHBondContact O-CG 3.35Å; V458-R473 PolarHBondContact O-NE 2.92Å; V458-R473 VanDerWaalsContact O-NE 3.15Å; V458-T476 HydrophobicContact CG1-CG2 4.31Å; V458-F488 HydrophobicContact CG2-CD1 4.47Å; V458-F488 HydrophobicContact CG2-CE1 4.3Å
459	A	97.2	Very high	97.2	Very high	18 Å²	18	58.6 Å²	58.6	15%	0.149	31%	0.305	C	S	.	.	S	Bend	trans	-58	147.3	179	0	0	0	0	0	111	F454 Q461 A462	F454-A459 HydrophobicContact CD1-CB 4.05Å; F454-A459 HydrophobicContact CE1-CB 3.8Å; F454-A459 HydrophobicContact CZ-CB 4.42Å; F454-A459 PolarHBondContact O-N 3.46Å; A459-Q461 PolarHBondContact O-N 3.24Å; A459-A462 HydrophobicContact CB-CB 4.29Å; A459-A462 WeakPolarHBondContact O-CB 3.48Å; A459-A462 PolarHBondContact O-N 3.18Å
460	V	95.9	Very high	97.2	Very high	96 Å²	96	59 Å²	59	58%	0.582	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	131.5	174.9	178.8	0	0	0	0	108.7	A462	V460-A462 PolarHBondContact O-N 3.47Å
461	Q	94.8	Very high	97.1	Very high	176 Å²	176	64 Å²	64	82%	0.822	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	23.1	-175.4	-59.3	169.5	-5.9	0	0	114.1	A459 E465	A459-Q461 PolarHBondContact O-N 3.24Å; Q461-E465 WeakPolarHBondContact CA-OE2 3.4Å; Q461-E465 PolarHBondContact N-OE2 3.26Å
462	A	97.1	Very high	97.1	Very high	14 Å²	14	59.7 Å²	59.7	12%	0.116	33%	0.326	C	S	.	.			trans	-57.8	146.6	170.2	0	0	0	0	0	110.7	N455 E456 A459 V460 R464 E465	N455-A462 VanDerWaalsContact O-CB 3.29Å; N455-A462 WeakPolarHBondContact O-CB 3.33Å; E456-A462 WeakPolarHBondContact O-CB 3.48Å; A459-A462 HydrophobicContact CB-CB 4.29Å; A459-A462 WeakPolarHBondContact O-CB 3.48Å; A459-A462 PolarHBondContact O-N 3.18Å; V460-A462 PolarHBondContact O-N 3.47Å; A462-R464 PolarHBondContact O-N 3.37Å; A462-E465 HydrophobicContact CB-CB 4.06Å; A462-E465 WeakPolarHBondContact O-CB 3.08Å; A462-E465 PolarHBondContact O-N 2.87Å
463	A	96.8	Very high	97.2	Very high	102 Å²	102	54.5 Å²	54.5	84%	0.843	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.4	-175.2	0	0	0	0	0	113.6
464	R	97.3	Very high	97.1	Very high	65 Å²	65	57.3 Å²	57.3	25%	0.245	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	41.6	174.3	-56.8	-172.9	67.5	148.7	9.6	110.6	D425 E426 R429 E456 Y457 A462 V466	D425-R464 IonicContact OD1-NH2 3.37Å; D425-R464 IonicContact OD2-NH2 2.71Å; D425-R464 PolarHBondContact OD2-NH2 3.44Å; E426-R464 HydrophobicContact CB-CB 4.09Å; R429-R464 VanDerWaalsContact CD-CZ 3.44Å; E456-R464 CarbonylContact O-C 3.45Å; E456-R464 WeakPolarHBondContact O-CA 3.19Å; E456-R464 WeakPolarHBondContact O-CB 3.49Å; E456-R464 PolarHBondContact O-N 3.47Å; E456-R464 VanDerWaalsContact O-N 3.09Å; Y457-R464 HydrophobicContact CD1-CB 3.9Å; Y457-R464 VanDerWaalsContact CD1-O 3.27Å; Y457-R464 WeakPolarHBondContact CD1-O 3.18Å; Y457-R464 HydrophobicContact CE1-CB 3.73Å; A462-R464 PolarHBondContact O-N 3.37Å; R464-V466 PolarHBondContact O-N 2.79Å
465	E	97.6	Very high	97	Very high	65 Å²	65	59.5 Å²	59.5	30%	0.304	33%	0.328	S	S	.	.			trans	-50	123.9	-178.6	-175.3	174.2	-177	0	0	111.1	Y457 Q461 A462 R473	Y457-E465 CarbonylContact O-C 3.58Å; Y457-E465 WeakPolarHBondContact O-CA 3.27Å; Q461-E465 WeakPolarHBondContact CA-OE2 3.4Å; Q461-E465 PolarHBondContact N-OE2 3.26Å; A462-E465 HydrophobicContact CB-CB 4.06Å; A462-E465 WeakPolarHBondContact O-CB 3.08Å; A462-E465 PolarHBondContact O-N 2.87Å; E465-R473 IonicContact OE1-CZ 3.49Å; E465-R473 IonicContact OE1-NE 3.64Å; E465-R473 IonicContact OE1-NH2 3.14Å; E465-R473 PolarHBondContact OE1-NH2 3.48Å
466	V	98.3	Very high	96.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	30%	0.302	C	S	.	.			trans	-85.8	146.1	171.1	-69.7	0	0	0	0	110.2	E426 F430 Y457 R464 L468 V495	E426-V466 HydrophobicContact CG-CG1 4.26Å; F430-V466 HydrophobicContact CB-CG1 3.73Å; F430-V466 HydrophobicContact CD1-CG1 4.24Å; F430-V466 HydrophobicContact CD1-CG2 4.2Å; F430-V466 HydrophobicContact CE1-CG2 4.35Å; F430-V466 HydrophobicContact CG-CG1 3.99Å; F430-V466 HydrophobicContact CG-CG2 4.32Å; Y457-V466 HydrophobicContact CD1-CG1 4.19Å; Y457-V466 VanDerWaalsContact O-CG2 3.26Å; Y457-V466 WeakPolarHBondContact O-CG2 3Å; Y457-V466 PolarHBondContact O-N 3.5Å; R464-V466 PolarHBondContact O-N 2.79Å; V466-L468 HydrophobicContact CG2-CD1 3.7Å; V466-L468 HydrophobicContact CG2-CG 3.9Å; V466-L468 PolarHBondContact O-N 3.06Å; V466-V495 HydrophobicContact CB-CG2 3.89Å; V466-V495 HydrophobicContact CG1-CG2 4.37Å; V466-V495 HydrophobicContact CG2-CG2 3.86Å
467	N	96.1	Very high	96.8	Very high	117 Å²	117	56.6 Å²	56.6	63%	0.626	31%	0.311	S	S	*	.			trans	-70.5	106.9	-179.1	-177.7	4.4	0	0	0	111.3	L498	N467-L498 HydrophobicContact CB-CD2 3.77Å
468	L	96.8	Very high	96.7	Very high	10 Å²	10	64.9 Å²	64.9	5%	0.052	34%	0.342	C	S	.	.			trans	-133.3	144.8	-178.4	-68.7	173.4	0	0	0	111.3	V458 V466 T472 R473 C491 R494 V495	V458-L468 HydrophobicContact CG1-CD1 4.1Å; V458-L468 HydrophobicContact CG2-CD1 4.45Å; V466-L468 HydrophobicContact CG2-CD1 3.7Å; V466-L468 HydrophobicContact CG2-CG 3.9Å; V466-L468 PolarHBondContact O-N 3.06Å; L468-T472 HydrophobicContact CD2-CG2 4.25Å; L468-R473 PolarHBondContact O-NH2 3.07Å; L468-R473 VanDerWaalsContact O-NH2 3.15Å; L468-C491 HydrophobicContact CD1-CB 4.15Å; L468-C491 HydrophobicContact CD2-CB 4.42Å; L468-R494 HydrophobicContact CD2-CB 3.59Å; L468-R494 HydrophobicContact CD2-CG 4.27Å; L468-V495 HydrophobicContact CD2-CG2 3.93Å; L468-V495 HydrophobicContact CG-CG2 4.5Å
469	D	95.5	Very high	96.5	Very high	55 Å²	55	67.4 Å²	67.4	29%	0.294	35%	0.354	S	S	.	.			trans	-67.6	150.6	169.7	58.1	-84.9	0	0	0	111.8	N471 T472 R473 R494	D469-N471 PolarHBondContact O-N 3.34Å; D469-T472 PolarHBondContact O-N 2.99Å; D469-T472 PolarHBondContact OD1-OG1 3.02Å; D469-T472 WeakPolarHBondContact OD2-CB 3.27Å; D469-T472 PolarHBondContact OD2-N 3.38Å; D469-T472 PolarHBondContact OD2-OG1 3.18Å; D469-R473 PolarHBondContact O-N 2.69Å; D469-R473 VanDerWaalsContact O-N 3.1Å; D469-R494 IonicContact OD1-CZ 2.7Å; D469-R494 IonicContact OD1-NE 2.76Å; D469-R494 IonicContact OD1-NH1 3.95Å; D469-R494 PolarHBondContact OD1-NH1 3.02Å; D469-R494 IonicContact OD2-NH1 2.74Å
470	S	95.8	Very high	96.3	Very high	92 Å²	92	66.9 Å²	66.9	64%	0.643	35%	0.348	S	S	*	.	H	α-helix	trans	-58	-33.6	-176.4	-54.4	0	0	0	0	113.4	L474	S470-L474 WeakPolarHBondContact O-CB 3.26Å; S470-L474 PolarHBondContact O-N 3.38Å
471	N	96.7	Very high	96.1	Very high	106 Å²	106	66.4 Å²	66.4	57%	0.567	36%	0.355	S	S	*	.	H	α-helix	trans	-67.3	-50.3	179.2	-175.2	31.7	0	0	0	111.3	D469 R473 L474 Q475	D469-N471 PolarHBondContact O-N 3.34Å; N471-R473 VanDerWaalsContact C-N 3.3Å; N471-R473 PolarHBondContact O-N 2.85Å; N471-L474 PolarHBondContact O-N 2.96Å; N471-Q475 WeakPolarHBondContact O-CB 3.5Å; N471-Q475 PolarHBondContact O-N 3.43Å
472	T	96.7	Very high	95.9	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-42	177.7	-59	0	0	0	0	111.4	L468 D469 Q475 T476 Q490 C491 R494	L468-T472 HydrophobicContact CD2-CG2 4.25Å; D469-T472 PolarHBondContact O-N 2.99Å; D469-T472 PolarHBondContact OD1-OG1 3.02Å; D469-T472 WeakPolarHBondContact OD2-CB 3.27Å; D469-T472 PolarHBondContact OD2-N 3.38Å; D469-T472 PolarHBondContact OD2-OG1 3.18Å; T472-Q475 PolarHBondContact O-N 3.41Å; T472-T476 PolarHBondContact O-N 3.07Å; T472-T476 VanDerWaalsContact O-N 3.11Å; T472-T476 PolarHBondContact O-OG1 3.03Å; T472-Q490 HydrophobicContact CG2-CG 4.11Å; T472-C491 HydrophobicContact CG2-CB 4.37Å; T472-R494 HydrophobicContact CG2-CG 4.01Å
473	R	97.7	Very high	95.8	Very high	34 Å²	34	62.2 Å²	62.2	13%	0.128	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-49.6	177.2	-170.9	-176.4	-63	98.3	-2.9	112.1	V458 E465 L468 D469 N471 Q475 T476 E477	V458-R473 HydrophobicContact CG1-CG 4.02Å; V458-R473 VanDerWaalsContact O-CD 3.27Å; V458-R473 WeakPolarHBondContact O-CD 3.41Å; V458-R473 WeakPolarHBondContact O-CG 3.35Å; V458-R473 PolarHBondContact O-NE 2.92Å; V458-R473 VanDerWaalsContact O-NE 3.15Å; E465-R473 IonicContact OE1-CZ 3.49Å; E465-R473 IonicContact OE1-NE 3.64Å; E465-R473 IonicContact OE1-NH2 3.14Å; E465-R473 PolarHBondContact OE1-NH2 3.48Å; L468-R473 PolarHBondContact O-NH2 3.07Å; L468-R473 VanDerWaalsContact O-NH2 3.15Å; D469-R473 PolarHBondContact O-N 2.69Å; D469-R473 VanDerWaalsContact O-N 3.1Å; N471-R473 VanDerWaalsContact C-N 3.3Å; N471-R473 PolarHBondContact O-N 2.85Å; R473-Q475 VanDerWaalsContact C-N 3.33Å; R473-Q475 PolarHBondContact O-N 3.42Å; R473-T476 PolarHBondContact O-N 3.37Å; R473-E477 PolarHBondContact O-N 3.32Å
474	L	96.3	Very high	95.7	Very high	73 Å²	73	60.7 Å²	60.7	38%	0.382	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-35.6	-178.9	-176.7	62.9	0	0	0	112.1	S470 N471 E477 R478	S470-L474 WeakPolarHBondContact O-CB 3.26Å; S470-L474 PolarHBondContact O-N 3.38Å; N471-L474 PolarHBondContact O-N 2.96Å; L474-E477 PolarHBondContact O-N 3.13Å; L474-R478 WeakPolarHBondContact O-CG 3.48Å; L474-R478 PolarHBondContact O-N 2.94Å; L474-R478 VanDerWaalsContact O-N 3.12Å
475	Q	96	Very high	95.6	Very high	61 Å²	61	63.3 Å²	63.3	29%	0.285	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-50.1	174	176.7	170.9	-15	0	0	110.9	N471 T472 R473 E477 R478 E479 Q490	N471-Q475 WeakPolarHBondContact O-CB 3.5Å; N471-Q475 PolarHBondContact O-N 3.43Å; T472-Q475 PolarHBondContact O-N 3.41Å; R473-Q475 VanDerWaalsContact C-N 3.33Å; R473-Q475 PolarHBondContact O-N 3.42Å; Q475-E477 VanDerWaalsContact C-N 3.3Å; Q475-E477 PolarHBondContact O-N 2.64Å; Q475-R478 PolarHBondContact O-N 3.11Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.32Å; Q475-E479 PolarHBondContact NE2-OE1 3.24Å; Q475-E479 WeakPolarHBondContact O-CG 3.42Å; Q475-E479 PolarHBondContact O-N 2.98Å; Q475-Q490 VanDerWaalsContact OE1-CD 3.26Å
476	T	97	Very high	95.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-38.2	178.5	-63.9	0	0	0	0	112	F454 V458 T472 R473 R478 E479 L480 T487 F488 C491	F454-T476 HydrophobicContact CD2-CG2 4.07Å; F454-T476 HydrophobicContact CE2-CG2 4.48Å; V458-T476 HydrophobicContact CG1-CG2 4.31Å; T472-T476 PolarHBondContact O-N 3.07Å; T472-T476 VanDerWaalsContact O-N 3.11Å; T472-T476 PolarHBondContact O-OG1 3.03Å; R473-T476 PolarHBondContact O-N 3.37Å; T476-R478 VanDerWaalsContact C-N 3.33Å; T476-R478 PolarHBondContact O-N 3.08Å; T476-E479 PolarHBondContact O-N 2.92Å; T476-L480 WeakPolarHBondContact O-CG 3.4Å; T476-L480 PolarHBondContact O-N 3.33Å; T476-T487 HydrophobicContact CG2-CG2 4.45Å; T476-F488 HydrophobicContact CG2-CD1 3.83Å; T476-F488 HydrophobicContact CG2-CE1 3.72Å; T476-C491 PolarHBondContact OG1-SG 3.36Å
477	E	96.7	Very high	95.3	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-41.5	174.9	-172.2	173.4	-167.1	0	0	112.6	F454 R473 L474 Q475 L480	F454-E477 HydrophobicContact CE1-CG 4.49Å; F454-E477 HydrophobicContact CE2-CB 3.79Å; F454-E477 HydrophobicContact CE2-CG 4.33Å; F454-E477 HydrophobicContact CZ-CB 3.71Å; F454-E477 HydrophobicContact CZ-CG 3.77Å; R473-E477 PolarHBondContact O-N 3.32Å; L474-E477 PolarHBondContact O-N 3.13Å; Q475-E477 VanDerWaalsContact C-N 3.3Å; Q475-E477 PolarHBondContact O-N 2.64Å; E477-L480 WeakPolarHBondContact O-CB 3.39Å; E477-L480 PolarHBondContact O-N 3.35Å
478	R	95.5	Very high	95.4	Very high	174 Å²	174	58.9 Å²	58.9	66%	0.657	31%	0.314	S	S	*	.	H	α-helix	trans	-67.1	-41.4	176.1	-68.2	170.3	-175.5	174.5	0.9	112.1	L474 Q475 T476 L480 A481	L474-R478 WeakPolarHBondContact O-CG 3.48Å; L474-R478 PolarHBondContact O-N 2.94Å; L474-R478 VanDerWaalsContact O-N 3.12Å; Q475-R478 PolarHBondContact O-N 3.11Å; T476-R478 VanDerWaalsContact C-N 3.33Å; T476-R478 PolarHBondContact O-N 3.08Å; R478-L480 PolarHBondContact O-N 3.42Å; R478-A481 PolarHBondContact O-N 3.05Å
479	E	94.1	Very high	95.4	Very high	54 Å²	54	60 Å²	60	25%	0.252	32%	0.32	S	S	.	.	H	α-helix	trans	-69.5	-16.4	179.3	-70	177.9	-164.3	0	0	113	Q475 T476 A481 S482 A483 T487	Q475-E479 WeakPolarHBondContact CG-OE1 3.32Å; Q475-E479 PolarHBondContact NE2-OE1 3.24Å; Q475-E479 WeakPolarHBondContact O-CG 3.42Å; Q475-E479 PolarHBondContact O-N 2.98Å; T476-E479 PolarHBondContact O-N 2.92Å; E479-A481 PolarHBondContact O-N 3.37Å; E479-S482 CarbonylContact O-C 3.25Å; E479-S482 VanDerWaalsContact O-C 3.25Å; E479-S482 PolarHBondContact O-N 3.26Å; E479-A483 PolarHBondContact O-N 2.93Å; E479-T487 HydrophobicContact CB-CG2 4.07Å
480	L	94.2	Very high	95.5	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-60	-35.1	175	-73.4	175.2	0	0	0	112.4	Q447 A450 F451 F454 T476 E477 R478 S482 A483 T487 F488	Q447-L480 PolarHBondContact NE2-O 3.34Å; Q447-L480 PolarHBondContact OE1-O 3.23Å; A450-L480 HydrophobicContact CB-CD2 3.97Å; F451-L480 HydrophobicContact CD1-CD1 4.11Å; F451-L480 HydrophobicContact CE1-CB 4.29Å; F451-L480 HydrophobicContact CE1-CD1 4.09Å; F454-L480 HydrophobicContact CB-CD1 3.86Å; F454-L480 HydrophobicContact CB-CD2 3.99Å; F454-L480 HydrophobicContact CB-CG 4.47Å; F454-L480 HydrophobicContact CD1-CD1 3.66Å; F454-L480 HydrophobicContact CD2-CD1 3.68Å; F454-L480 HydrophobicContact CD2-CG 4.3Å; F454-L480 HydrophobicContact CE1-CD1 4.04Å; F454-L480 HydrophobicContact CE2-CD1 4.05Å; F454-L480 HydrophobicContact CG-CD1 3.47Å; F454-L480 VanDerWaalsContact CG-CD1 3.47Å; F454-L480 HydrophobicContact CG-CD2 4.4Å; F454-L480 HydrophobicContact CG-CG 4.36Å; F454-L480 HydrophobicContact CZ-CD1 4.22Å; T476-L480 WeakPolarHBondContact O-CG 3.4Å; T476-L480 PolarHBondContact O-N 3.33Å; E477-L480 WeakPolarHBondContact O-CB 3.39Å; E477-L480 PolarHBondContact O-N 3.35Å; R478-L480 PolarHBondContact O-N 3.42Å; L480-S482 PolarHBondContact O-N 3.15Å; L480-A483 PolarHBondContact O-N 3Å; L480-T487 HydrophobicContact CD2-CG2 4.48Å; L480-F488 HydrophobicContact CD2-CZ 4.44Å
481	A	91.1	Very high	95.6	Very high	86 Å²	86	55.1 Å²	55.1	71%	0.711	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-59.4	-31.1	-178.7	0	0	0	0	0	112.4	R478 E479	R478-A481 PolarHBondContact O-N 3.05Å; E479-A481 PolarHBondContact O-N 3.37Å
482	S	91.4	Very high	95.6	Very high	85 Å²	85	50.6 Å²	50.6	59%	0.594	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-124.6	53.4	178.2	53.3	0	0	0	0	111.1	E479 L480 N484	E479-S482 CarbonylContact O-C 3.25Å; E479-S482 VanDerWaalsContact O-C 3.25Å; E479-S482 PolarHBondContact O-N 3.26Å; L480-S482 PolarHBondContact O-N 3.15Å; S482-N484 PolarHBondContact O-N 3.33Å; S482-N484 PolarHBondContact O-ND2 2.97Å
483	A	94.1	Very high	95.7	Very high	17 Å²	17	57.6 Å²	57.6	14%	0.14	29%	0.287	C	S	.	.			trans	-57.7	126.2	-174.4	0	0	0	0	0	112.2	Q447 A450 E479 L480	Q447-A483 VanDerWaalsContact OE1-CB 3.26Å; A450-A483 HydrophobicContact CB-CB 3.62Å; E479-A483 PolarHBondContact O-N 2.93Å; L480-A483 PolarHBondContact O-N 3Å
484	N	94.3	Very high	95.7	Very high	70 Å²	70	61.5 Å²	61.5	37%	0.374	30%	0.302	S	S	.	.			trans	-131.5	-177.3	-179.5	63.8	57.8	0	0	0	109.3	Y437 S482 N486 T487	Y437-N484 WeakPolarHBondContact CE1-O 3.21Å; Y437-N484 VanDerWaalsContact CZ-O 3.32Å; Y437-N484 PolarHBondContact OH-O 3.39Å; S482-N484 PolarHBondContact O-N 3.33Å; S482-N484 PolarHBondContact O-ND2 2.97Å; N484-N486 PolarHBondContact O-N 2.76Å; N484-N486 WeakPolarHBondContact OD1-CA 3.43Å; N484-N486 WeakPolarHBondContact OD1-CB 3.2Å; N484-N486 PolarHBondContact OD1-N 3.3Å; N484-T487 PolarHBondContact N-OG1 2.93Å; N484-T487 PolarHBondContact O-N 3.12Å; N484-T487 PolarHBondContact O-OG1 3.05Å; N484-T487 VanDerWaalsContact O-OG1 3.07Å; N484-T487 PolarHBondContact OD1-N 3.33Å
485	K	94.9	Very high	95.8	Very high	120 Å²	120	58 Å²	58	52%	0.522	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.9	-176.5	-68	-177.5	179.5	-178.9	0	113.7	R438 M446	R438-K485 HydrophobicContact CG-CB 4.33Å; R438-K485 WeakPolarHBondContact CG-O 3.41Å; M446-K485 HydrophobicContact CE-CG 3.69Å
486	N	95.3	Very high	95.9	Very high	89 Å²	89	57.1 Å²	57.1	48%	0.476	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	1.6	-172.2	-58.8	98.3	0	0	0	113.7	N484 F488 D489	N484-N486 PolarHBondContact O-N 2.76Å; N484-N486 WeakPolarHBondContact OD1-CA 3.43Å; N484-N486 WeakPolarHBondContact OD1-CB 3.2Å; N484-N486 PolarHBondContact OD1-N 3.3Å; N486-F488 PolarHBondContact O-N 3.1Å; N486-D489 WeakPolarHBondContact CB-OD2 3.01Å; N486-D489 PolarHBondContact ND2-OD2 3.36Å; N486-D489 WeakPolarHBondContact O-CB 3.44Å; N486-D489 PolarHBondContact O-N 3.37Å
487	T	96.2	Very high	96	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-29.4	-176.8	-61.9	0	0	0	0	114.5	T476 E479 L480 N484	T476-T487 HydrophobicContact CG2-CG2 4.45Å; E479-T487 HydrophobicContact CB-CG2 4.07Å; L480-T487 HydrophobicContact CD2-CG2 4.48Å; N484-T487 PolarHBondContact N-OG1 2.93Å; N484-T487 PolarHBondContact O-N 3.12Å; N484-T487 PolarHBondContact O-OG1 3.05Å; N484-T487 VanDerWaalsContact O-OG1 3.07Å; N484-T487 PolarHBondContact OD1-N 3.33Å
488	F	97.9	Very high	96.1	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.009	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	3.1	-179.3	-62.2	-72.5	0	0	0	114	F430 C434 Y437 A450 I453 V458 T476 L480 N486 Q490 C491 Q492	F430-F488 HydrophobicContact CE2-CD1 4.43Å; F430-F488 HydrophobicContact CZ-CD1 4.42Å; C434-F488 HydrophobicContact CB-CB 4.38Å; Y437-F488 AromaticContact CD1-CD2 3.64Å; Y437-F488 HydrophobicContact CD1-CD2 3.64Å; Y437-F488 HydrophobicContact CD1-CE2 4.09Å; Y437-F488 HydrophobicContact CD2-CE2 4.29Å; Y437-F488 AromaticContact CE1-CD2 3.65Å; Y437-F488 HydrophobicContact CE1-CD2 3.65Å; Y437-F488 AromaticContact CE1-CE2 3.89Å; Y437-F488 HydrophobicContact CE1-CE2 3.89Å; Y437-F488 HydrophobicContact CE2-CE2 4.11Å; Y437-F488 HydrophobicContact CG-CD2 4.13Å; Y437-F488 HydrophobicContact CG-CE2 4.27Å; Y437-F488 AromaticContact CZ-CE2 3.9Å; A450-F488 HydrophobicContact CB-CE2 4.11Å; A450-F488 HydrophobicContact CB-CZ 4.22Å; A450-F488 WeakPolarHBondContact O-CZ 3.31Å; I453-F488 HydrophobicContact CB-CE1 4.28Å; I453-F488 HydrophobicContact CB-CE2 4.07Å; I453-F488 HydrophobicContact CB-CZ 3.73Å; I453-F488 HydrophobicContact CD1-CD2 4.47Å; I453-F488 HydrophobicContact CD1-CE2 3.96Å; I453-F488 HydrophobicContact CG2-CD1 4.21Å; I453-F488 HydrophobicContact CG2-CD2 4.43Å; I453-F488 HydrophobicContact CG2-CE1 3.78Å; I453-F488 HydrophobicContact CG2-CE2 4.03Å; I453-F488 HydrophobicContact CG2-CZ 3.69Å; V458-F488 HydrophobicContact CG2-CD1 4.47Å; V458-F488 HydrophobicContact CG2-CE1 4.3Å; T476-F488 HydrophobicContact CG2-CD1 3.83Å; T476-F488 HydrophobicContact CG2-CE1 3.72Å; L480-F488 HydrophobicContact CD2-CZ 4.44Å; N486-F488 PolarHBondContact O-N 3.1Å; F488-Q490 VanDerWaalsContact C-N 3.29Å; F488-Q490 PolarHBondContact O-N 3.34Å; F488-C491 PolarHBondContact O-N 3.46Å; F488-Q492 VanDerWaalsContact O-CB 3.26Å; F488-Q492 WeakPolarHBondContact O-CB 3.25Å; F488-Q492 PolarHBondContact O-N 3.37Å
489	D	96.9	Very high	96.2	Very high	33 Å²	33	48.4 Å²	48.4	18%	0.176	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-39.8	-172.5	-77.3	5.6	0	0	0	112.1	N486 R493	N486-D489 WeakPolarHBondContact CB-OD2 3.01Å; N486-D489 PolarHBondContact ND2-OD2 3.36Å; N486-D489 WeakPolarHBondContact O-CB 3.44Å; N486-D489 PolarHBondContact O-N 3.37Å; D489-R493 WeakPolarHBondContact O-CG 3.49Å; D489-R493 PolarHBondContact O-N 2.93Å; D489-R493 VanDerWaalsContact O-N 3.1Å
490	Q	96.6	Very high	96.4	Very high	45 Å²	45	49.3 Å²	49.3	21%	0.21	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-49.2	178.1	-167.6	-174.6	79.6	0	0	111.5	T472 Q475 F488 Q492 R493 R494	T472-Q490 HydrophobicContact CG2-CG 4.11Å; Q475-Q490 VanDerWaalsContact OE1-CD 3.26Å; F488-Q490 VanDerWaalsContact C-N 3.29Å; F488-Q490 PolarHBondContact O-N 3.34Å; Q490-Q492 VanDerWaalsContact C-N 3.33Å; Q490-Q492 PolarHBondContact O-N 2.89Å; Q490-R493 PolarHBondContact O-N 3.48Å; Q490-R494 WeakPolarHBondContact O-CG 3.26Å; Q490-R494 PolarHBondContact O-N 2.84Å; Q490-R494 VanDerWaalsContact O-N 3.1Å
491	C	97.3	Very high	96.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-46.9	175.1	-70.6	0	0	0	0	111.8	F430 L468 T472 T476 F488 R493 R494 V495	F430-C491 HydrophobicContact CE1-CB 3.94Å; F430-C491 HydrophobicContact CZ-CB 3.66Å; L468-C491 HydrophobicContact CD1-CB 4.15Å; L468-C491 HydrophobicContact CD2-CB 4.42Å; T472-C491 HydrophobicContact CG2-CB 4.37Å; T476-C491 PolarHBondContact OG1-SG 3.36Å; F488-C491 PolarHBondContact O-N 3.46Å; C491-R493 VanDerWaalsContact C-N 3.32Å; C491-R493 PolarHBondContact O-N 3.42Å; C491-R494 WeakPolarHBondContact O-CB 3.37Å; C491-R494 PolarHBondContact O-N 3.33Å; C491-R494 VanDerWaalsContact O-N 3.11Å; C491-V495 WeakPolarHBondContact O-CG2 3.46Å; C491-V495 PolarHBondContact O-N 2.84Å
492	Q	98.4	Very high	96.9	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-43.6	-178.9	-173.1	-178.9	11.1	0	0	111	W431 C434 E435 R438 F488 Q490 R494 V495 Q496	W431-Q492 VanDerWaalsContact CD1-CG 3.46Å; W431-Q492 HydrophobicContact CG-CG 4.17Å; W431-Q492 PolarHBondContact O-NE2 3.05Å; C434-Q492 HydrophobicContact CB-CB 4.1Å; C434-Q492 VanDerWaalsContact CB-CD 3.49Å; C434-Q492 HydrophobicContact CB-CG 3.93Å; E435-Q492 PolarHBondContact OE1-NE2 3.22Å; E435-Q492 PolarHBondContact OE1-OE1 2.9Å; R438-Q492 VanDerWaalsContact NH1-OE1 3.11Å; F488-Q492 VanDerWaalsContact O-CB 3.26Å; F488-Q492 WeakPolarHBondContact O-CB 3.25Å; F488-Q492 PolarHBondContact O-N 3.37Å; Q490-Q492 VanDerWaalsContact C-N 3.33Å; Q490-Q492 PolarHBondContact O-N 2.89Å; Q492-R494 VanDerWaalsContact C-N 3.35Å; Q492-R494 PolarHBondContact O-N 3.22Å; Q492-V495 PolarHBondContact O-N 2.93Å; Q492-Q496 VanDerWaalsContact O-CB 3.28Å; Q492-Q496 WeakPolarHBondContact O-CB 3.16Å; Q492-Q496 PolarHBondContact O-N 2.86Å
493	R	98.1	Very high	97.2	Very high	147 Å²	147	52.5 Å²	52.5	56%	0.555	25%	0.248	S	C	*	.	H	α-helix	trans	-61.8	-39.4	174.6	-76.7	-170.7	-64.5	-90.8	1.1	112.8	D489 Q490 C491 S497	D489-R493 WeakPolarHBondContact O-CG 3.49Å; D489-R493 PolarHBondContact O-N 2.93Å; D489-R493 VanDerWaalsContact O-N 3.1Å; Q490-R493 PolarHBondContact O-N 3.48Å; C491-R493 VanDerWaalsContact C-N 3.32Å; C491-R493 PolarHBondContact O-N 3.42Å; R493-S497 WeakPolarHBondContact O-CB 2.95Å; R493-S497 PolarHBondContact O-N 3.35Å
494	R	98	Very high	97.4	Very high	117 Å²	117	52 Å²	52	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-49	176.3	-66	-56.8	-177.8	123.3	-9.4	111.4	L468 D469 T472 Q490 C491 Q492 S497 L498	L468-R494 HydrophobicContact CD2-CB 3.59Å; L468-R494 HydrophobicContact CD2-CG 4.27Å; D469-R494 IonicContact OD1-CZ 2.7Å; D469-R494 IonicContact OD1-NE 2.76Å; D469-R494 IonicContact OD1-NH1 3.95Å; D469-R494 PolarHBondContact OD1-NH1 3.02Å; D469-R494 IonicContact OD2-NH1 2.74Å; T472-R494 HydrophobicContact CG2-CG 4.01Å; Q490-R494 WeakPolarHBondContact O-CG 3.26Å; Q490-R494 PolarHBondContact O-N 2.84Å; Q490-R494 VanDerWaalsContact O-N 3.1Å; C491-R494 WeakPolarHBondContact O-CB 3.37Å; C491-R494 PolarHBondContact O-N 3.33Å; C491-R494 VanDerWaalsContact O-N 3.11Å; Q492-R494 VanDerWaalsContact C-N 3.35Å; Q492-R494 PolarHBondContact O-N 3.22Å; R494-S497 PolarHBondContact O-N 3.49Å; R494-L498 PolarHBondContact O-N 3.41Å
495	V	98.3	Very high	97.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-39	179.2	179.8	0	0	0	0	111.7	N427 F430 V466 L468 C491 Q492 L498 M499	N427-V495 HydrophobicContact CB-CG1 3.7Å; F430-V495 HydrophobicContact CD1-CB 4.06Å; F430-V495 HydrophobicContact CD1-CG1 4.2Å; F430-V495 HydrophobicContact CD1-CG2 3.72Å; F430-V495 HydrophobicContact CE1-CB 4.36Å; F430-V495 HydrophobicContact CE1-CG2 3.81Å; V466-V495 HydrophobicContact CB-CG2 3.89Å; V466-V495 HydrophobicContact CG1-CG2 4.37Å; V466-V495 HydrophobicContact CG2-CG2 3.86Å; L468-V495 HydrophobicContact CD2-CG2 3.93Å; L468-V495 HydrophobicContact CG-CG2 4.5Å; C491-V495 WeakPolarHBondContact O-CG2 3.46Å; C491-V495 PolarHBondContact O-N 2.84Å; Q492-V495 PolarHBondContact O-N 2.93Å; V495-L498 WeakPolarHBondContact O-CB 3.46Å; V495-L498 PolarHBondContact O-N 3.17Å; V495-M499 HydrophobicContact CG1-CE 4.23Å; V495-M499 WeakPolarHBondContact O-CG 3.23Å; V495-M499 PolarHBondContact O-N 3.02Å
496	Q	98.6	Very high	97.8	Very high	42 Å²	42	55.4 Å²	55.4	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-47.9	173.3	-179	170.9	-23.9	0	0	111.3	F402 L406 Q492 L498 M499 E500	F402-Q496 HydrophobicContact CD1-CG 4.13Å; F402-Q496 HydrophobicContact CE1-CG 3.88Å; L406-Q496 HydrophobicContact CD1-CG 3.98Å; Q492-Q496 VanDerWaalsContact O-CB 3.28Å; Q492-Q496 WeakPolarHBondContact O-CB 3.16Å; Q492-Q496 PolarHBondContact O-N 2.86Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.41Å; Q496-M499 PolarHBondContact O-N 3.49Å; Q496-E500 WeakPolarHBondContact O-CB 3.37Å; Q496-E500 PolarHBondContact O-N 3.23Å
497	S	98.4	Very high	97.9	Very high	35 Å²	35	51.2 Å²	51.2	25%	0.245	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-35.9	177.8	-169.3	0	0	0	0	112.4	R493 R494 E500 K501	R493-S497 WeakPolarHBondContact O-CB 2.95Å; R493-S497 PolarHBondContact O-N 3.35Å; R494-S497 PolarHBondContact O-N 3.49Å; S497-E500 PolarHBondContact O-N 3.31Å; S497-K501 WeakPolarHBondContact O-CB 3.24Å; S497-K501 VanDerWaalsContact O-CG 3.28Å; S497-K501 WeakPolarHBondContact O-CG 3.13Å; S497-K501 PolarHBondContact O-N 2.76Å; S497-K501 WeakPolarHBondContact OG-CE 3.41Å; S497-K501 PolarHBondContact OG-NZ 3.49Å
498	L	97.9	Very high	98	Very high	57 Å²	57	52.9 Å²	52.9	30%	0.298	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-52	174.9	178.2	66.3	0	0	0	111.2	N467 R494 V495 Q496 E500 K501 D502	N467-L498 HydrophobicContact CB-CD2 3.77Å; R494-L498 PolarHBondContact O-N 3.41Å; V495-L498 WeakPolarHBondContact O-CB 3.46Å; V495-L498 PolarHBondContact O-N 3.17Å; Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 PolarHBondContact O-N 3.41Å; L498-E500 VanDerWaalsContact C-N 3.32Å; L498-E500 PolarHBondContact O-N 3.02Å; L498-K501 PolarHBondContact O-N 3.14Å; L498-D502 PolarHBondContact O-N 3.47Å; L498-D502 VanDerWaalsContact O-N 3.15Å
499	M	98.6	Very high	98	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-40.9	177.4	-69.7	-172.6	-67.4	0	0	111.9	F402 F415 L419 N427 I428 W431 V495 Q496 S503 Y504	F402-M499 HydrophobicContact CE1-CB 3.91Å; F402-M499 HydrophobicContact CE1-CE 4.27Å; F402-M499 HydrophobicContact CE2-CB 4.45Å; F402-M499 HydrophobicContact CZ-CB 3.59Å; F402-M499 HydrophobicContact CZ-CE 3.99Å; F402-M499 HydrophobicContact CZ-SD 4.32Å; F415-M499 HydrophobicContact CE1-CB 4.43Å; F415-M499 HydrophobicContact CE1-SD 3.97Å; F415-M499 HydrophobicContact CZ-CB 4.37Å; L419-M499 HydrophobicContact CD1-SD 4.12Å; N427-M499 HydrophobicContact CB-CG 3.71Å; N427-M499 HydrophobicContact CB-SD 3.59Å; N427-M499 VanDerWaalsContact CB-SD 3.59Å; I428-M499 HydrophobicContact CB-SD 3.93Å; I428-M499 HydrophobicContact CD1-CE 4.26Å; I428-M499 HydrophobicContact CD1-SD 4.37Å; I428-M499 PolarHBondContact N-SD 3.49Å; I428-M499 VanDerWaalsContact N-SD 3.41Å; W431-M499 HydrophobicContact CB-CE 4.08Å; W431-M499 HydrophobicContact CG-CE 4.33Å; V495-M499 HydrophobicContact CG1-CE 4.23Å; V495-M499 WeakPolarHBondContact O-CG 3.23Å; V495-M499 PolarHBondContact O-N 3.02Å; Q496-M499 PolarHBondContact O-N 3.49Å; M499-S503 PolarHBondContact O-N 2.73Å; M499-Y504 VanDerWaalsContact O-CB 3.3Å; M499-Y504 WeakPolarHBondContact O-CB 3.44Å; M499-Y504 PolarHBondContact O-N 3.21Å
500	E	98.6	Very high	97.9	Very high	73 Å²	73	61 Å²	61	34%	0.341	26%	0.264	S	S	.	.	H	α-helix	trans	-64	-40.5	179.6	-176.9	172.5	-155.7	0	0	113	F402 Q496 S497 L498 Y504	F402-E500 HydrophobicContact CB-CB 4.2Å; F402-E500 HydrophobicContact CB-CG 3.82Å; F402-E500 HydrophobicContact CD1-CB 3.63Å; F402-E500 HydrophobicContact CD1-CG 4.17Å; F402-E500 HydrophobicContact CE1-CB 4.23Å; F402-E500 HydrophobicContact CG-CB 4.06Å; F402-E500 HydrophobicContact CG-CG 4.23Å; Q496-E500 WeakPolarHBondContact O-CB 3.37Å; Q496-E500 PolarHBondContact O-N 3.23Å; S497-E500 PolarHBondContact O-N 3.31Å; L498-E500 VanDerWaalsContact C-N 3.32Å; L498-E500 PolarHBondContact O-N 3.02Å; E500-Y504 HydrophobicContact CG-CD1 4.47Å
501	K	97.8	Very high	97.7	Very high	155 Å²	155	62.4 Å²	62.4	67%	0.674	27%	0.272	S	S	*	.	H	α-helix	trans	-78.4	-28.9	-175.8	-74.9	172.4	177.4	166.3	0	113.3	S497 L498	S497-K501 WeakPolarHBondContact O-CB 3.24Å; S497-K501 VanDerWaalsContact O-CG 3.28Å; S497-K501 WeakPolarHBondContact O-CG 3.13Å; S497-K501 PolarHBondContact O-N 2.76Å; S497-K501 WeakPolarHBondContact OG-CE 3.41Å; S497-K501 PolarHBondContact OG-NZ 3.49Å; L498-K501 PolarHBondContact O-N 3.14Å
502	D	97	Very high	97.6	Very high	84 Å²	84	62.5 Å²	62.5	45%	0.449	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-80.9	-176.4	-176.8	34.2	0	0	0	111.9	L498 Y504 R505 R506	L498-D502 PolarHBondContact O-N 3.47Å; L498-D502 VanDerWaalsContact O-N 3.15Å; D502-Y504 VanDerWaalsContact C-N 3.33Å; D502-Y504 PolarHBondContact O-N 3.48Å; D502-R505 WeakPolarHBondContact O-CB 3.36Å; D502-R505 PolarHBondContact O-N 2.87Å; D502-R506 PolarHBondContact O-N 3.2Å
503	S	98.2	Very high	97.5	Very high	6 Å²	6	63.2 Å²	63.2	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-36.4	-169.3	-40.5	0	0	0	0	113.6	F418 L419 M499 R505 R506 F507	F418-S503 WeakPolarHBondContact CE1-O 3.16Å; L419-S503 VanDerWaalsContact CD2-CB 3.43Å; M499-S503 PolarHBondContact O-N 2.73Å; S503-R505 PolarHBondContact O-N 2.84Å; S503-R506 PolarHBondContact O-N 3.45Å; S503-F507 WeakPolarHBondContact O-CB 3.49Å; S503-F507 PolarHBondContact O-N 3.16Å
504	Y	98.7	Very high	97.4	Very high	6 Å²	6	60.6 Å²	60.6	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-40.1	176.6	172.3	-118	0	0	0	112.3	W398 A399 S401 F402 V405 M499 E500 D502 R506 F507 L508	W398-Y504 WeakPolarHBondContact O-CE2 3.47Å; W398-Y504 PolarHBondContact O-OH 3.3Å; A399-Y504 PolarHBondContact O-OH 3.27Å; S401-Y504 VanDerWaalsContact C-OH 3.24Å; S401-Y504 WeakPolarHBondContact CA-OH 3.25Å; S401-Y504 PolarHBondContact N-OH 2.83Å; F402-Y504 HydrophobicContact CB-CD1 3.89Å; F402-Y504 HydrophobicContact CB-CD2 4.25Å; F402-Y504 HydrophobicContact CB-CE1 4.04Å; F402-Y504 HydrophobicContact CB-CE2 4.38Å; F402-Y504 HydrophobicContact CB-CG 4.01Å; F402-Y504 HydrophobicContact CD2-CD1 4.4Å; F402-Y504 AromaticContact CD2-CD2 3.58Å; F402-Y504 HydrophobicContact CD2-CD2 3.58Å; F402-Y504 HydrophobicContact CD2-CE2 4.27Å; F402-Y504 AromaticContact CD2-CG 3.65Å; F402-Y504 HydrophobicContact CD2-CG 3.65Å; F402-Y504 HydrophobicContact CE2-CD2 4.41Å; F402-Y504 HydrophobicContact CE2-CG 4.49Å; F402-Y504 HydrophobicContact CG-CD1 4.45Å; F402-Y504 HydrophobicContact CG-CD2 4.35Å; F402-Y504 HydrophobicContact CG-CG 4.13Å; V405-Y504 HydrophobicContact CG2-CD2 4.23Å; V405-Y504 HydrophobicContact CG2-CE2 3.75Å; M499-Y504 VanDerWaalsContact O-CB 3.3Å; M499-Y504 WeakPolarHBondContact O-CB 3.44Å; M499-Y504 PolarHBondContact O-N 3.21Å; E500-Y504 HydrophobicContact CG-CD1 4.47Å; D502-Y504 VanDerWaalsContact C-N 3.33Å; D502-Y504 PolarHBondContact O-N 3.48Å; Y504-R506 PolarHBondContact O-N 3.25Å; Y504-F507 HydrophobicContact CD2-CD1 4.27Å; Y504-F507 WeakPolarHBondContact O-CB 3.5Å; Y504-F507 PolarHBondContact O-N 2.84Å; Y504-L508 HydrophobicContact CD2-CG 4.44Å; Y504-L508 HydrophobicContact CE1-CD1 4.15Å; Y504-L508 HydrophobicContact CE2-CD1 4.09Å; Y504-L508 HydrophobicContact CE2-CD2 3.89Å; Y504-L508 HydrophobicContact CE2-CG 3.98Å; Y504-L508 PolarHBondContact O-N 3.24Å
505	R	98.2	Very high	97.2	Very high	139 Å²	139	55.6 Å²	55.6	53%	0.525	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-31.9	178.8	-60.3	-61.3	-175.5	177	0.3	112.1	D502 S503 R509	D502-R505 WeakPolarHBondContact O-CB 3.36Å; D502-R505 PolarHBondContact O-N 2.87Å; S503-R505 PolarHBondContact O-N 2.84Å; R505-R509 PolarHBondContact O-NH1 3.09Å
506	R	98.4	Very high	97.1	Very high	123 Å²	123	55.6 Å²	55.6	46%	0.464	25%	0.254	S	S	.	.	H	α-helix	trans	-79.7	-37.7	175.2	-66.3	176.3	63	-156	-5.6	111.8	F418 E422 D502 S503 Y504 L508 R509 S510	F418-R506 HydrophobicContact CZ-CB 3.79Å; E422-R506 IonicContact OE1-CZ 2.94Å; E422-R506 IonicContact OE1-NE 3.36Å; E422-R506 PolarHBondContact OE1-NE 3.14Å; E422-R506 IonicContact OE1-NH1 3.49Å; E422-R506 PolarHBondContact OE1-NH1 3.43Å; E422-R506 IonicContact OE1-NH2 2.64Å; E422-R506 PolarHBondContact OE1-NH2 3.4Å; E422-R506 IonicContact OE2-CZ 3.13Å; E422-R506 IonicContact OE2-NE 3.8Å; E422-R506 IonicContact OE2-NH1 2.8Å; E422-R506 PolarHBondContact OE2-NH1 3Å; E422-R506 IonicContact OE2-NH2 3.44Å; E422-R506 PolarHBondContact OE2-NH2 3.43Å; D502-R506 PolarHBondContact O-N 3.2Å; S503-R506 PolarHBondContact O-N 3.45Å; Y504-R506 PolarHBondContact O-N 3.25Å; R506-L508 VanDerWaalsContact C-N 3.32Å; R506-L508 PolarHBondContact O-N 3.36Å; R506-R509 CarbonylContact O-C 3.56Å; R506-R509 PolarHBondContact O-N 3.5Å; R506-S510 PolarHBondContact O-N 2.78Å; R506-S510 VanDerWaalsContact O-N 3.11Å
507	F	98.5	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-53.9	-45.8	175.3	169.2	-112.7	0	0	0	112.4	W398 V405 V414 F415 F418 S503 Y504 R509 S510 Y513	W398-F507 HydrophobicContact CE3-CZ 4.33Å; V405-F507 HydrophobicContact CG2-CE1 4.4Å; V414-F507 HydrophobicContact CG1-CE2 3.92Å; V414-F507 HydrophobicContact CG1-CZ 4.17Å; F415-F507 HydrophobicContact CD2-CB 3.82Å; F415-F507 AromaticContact CD2-CD1 3.94Å; F415-F507 HydrophobicContact CD2-CD1 3.94Å; F415-F507 AromaticContact CD2-CD2 3.92Å; F415-F507 HydrophobicContact CD2-CD2 3.92Å; F415-F507 HydrophobicContact CD2-CE2 4.49Å; F415-F507 AromaticContact CD2-CG 3.6Å; F415-F507 HydrophobicContact CD2-CG 3.6Å; F415-F507 HydrophobicContact CE2-CB 3.76Å; F415-F507 HydrophobicContact CE2-CD1 4.5Å; F415-F507 HydrophobicContact CE2-CG 4.08Å; F418-F507 HydrophobicContact CB-CD2 3.79Å; F418-F507 HydrophobicContact CB-CE2 4.33Å; F418-F507 HydrophobicContact CD1-CB 3.76Å; F418-F507 HydrophobicContact CD1-CD2 4.03Å; F418-F507 HydrophobicContact CD1-CG 4.33Å; F418-F507 HydrophobicContact CD2-CD2 4.27Å; F418-F507 HydrophobicContact CE1-CB 3.72Å; F418-F507 HydrophobicContact CG-CB 4.2Å; F418-F507 AromaticContact CG-CD2 3.75Å; F418-F507 HydrophobicContact CG-CD2 3.75Å; F418-F507 HydrophobicContact CG-CG 4.46Å; F418-F507 HydrophobicContact CZ-CB 4.11Å; S503-F507 WeakPolarHBondContact O-CB 3.49Å; S503-F507 PolarHBondContact O-N 3.16Å; Y504-F507 HydrophobicContact CD2-CD1 4.27Å; Y504-F507 WeakPolarHBondContact O-CB 3.5Å; Y504-F507 PolarHBondContact O-N 2.84Å; F507-R509 PolarHBondContact O-N 3.17Å; F507-R509 VanDerWaalsContact O-N 3.08Å; F507-S510 VanDerWaalsContact O-CB 3.26Å; F507-S510 WeakPolarHBondContact O-CB 3.37Å; F507-S510 PolarHBondContact O-N 3.09Å; F507-S510 PolarHBondContact O-OG 3.41Å; F507-Y513 AromaticContact CE1-CD2 3.98Å; F507-Y513 HydrophobicContact CE1-CD2 3.98Å; F507-Y513 HydrophobicContact CE1-CG 4.47Å; F507-Y513 AromaticContact CZ-CD2 4Å; F507-Y513 HydrophobicContact CZ-CD2 4Å; F507-Y513 HydrophobicContact CZ-CG 4.43Å; F507-Y513 WeakPolarHBondContact O-CB 3.38Å
508	L	98.3	Very high	96.7	Very high	35 Å²	35	57.9 Å²	57.9	18%	0.183	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.3	179	-62.7	-177.3	0	0	0	114.4	A399 Y504 R506 Y513	A399-L508 HydrophobicContact CB-CD2 4.1Å; Y504-L508 HydrophobicContact CD2-CG 4.44Å; Y504-L508 HydrophobicContact CE1-CD1 4.15Å; Y504-L508 HydrophobicContact CE2-CD1 4.09Å; Y504-L508 HydrophobicContact CE2-CD2 3.89Å; Y504-L508 HydrophobicContact CE2-CG 3.98Å; Y504-L508 PolarHBondContact O-N 3.24Å; R506-L508 VanDerWaalsContact C-N 3.32Å; R506-L508 PolarHBondContact O-N 3.36Å; L508-Y513 HydrophobicContact CD2-CD1 4.47Å; L508-Y513 HydrophobicContact CD2-CD2 4.36Å; L508-Y513 HydrophobicContact CD2-CE1 4.39Å; L508-Y513 HydrophobicContact CD2-CE2 4.29Å; L508-Y513 HydrophobicContact CD2-CG 4.47Å; L508-Y513 VanDerWaalsContact O-CD1 3.25Å; L508-Y513 WeakPolarHBondContact O-CD1 3.19Å
509	R	96.5	Very high	96.4	Very high	189 Å²	189	56.2 Å²	56.2	71%	0.713	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-2.3	175.3	-64.4	177.6	171.5	77.9	0.3	112.5	R505 R506 F507	R505-R509 PolarHBondContact O-NH1 3.09Å; R506-R509 CarbonylContact O-C 3.56Å; R506-R509 PolarHBondContact O-N 3.5Å; F507-R509 PolarHBondContact O-N 3.17Å; F507-R509 VanDerWaalsContact O-N 3.08Å
510	S	95.7	Very high	96.1	Very high	18 Å²	18	56.3 Å²	56.3	13%	0.126	26%	0.255	C	S	.	.	S	Bend	trans	-77.9	151.2	-175.9	73.6	0	0	0	0	111.7	R506 F507 L512 Y513 L514	R506-S510 PolarHBondContact O-N 2.78Å; R506-S510 VanDerWaalsContact O-N 3.11Å; F507-S510 VanDerWaalsContact O-CB 3.26Å; F507-S510 WeakPolarHBondContact O-CB 3.37Å; F507-S510 PolarHBondContact O-N 3.09Å; F507-S510 PolarHBondContact O-OG 3.41Å; S510-L512 PolarHBondContact O-N 3.27Å; S510-Y513 PolarHBondContact O-N 3.24Å; S510-Y513 VanDerWaalsContact O-N 3.13Å; S510-Y513 PolarHBondContact OG-N 3.06Å; S510-L514 WeakPolarHBondContact O-CG 3.43Å; S510-L514 PolarHBondContact O-N 3.05Å
511	D	92.9	Very high	95.6	Very high	73 Å²	73	58.7 Å²	58.7	39%	0.39	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-28.4	174.2	-65.1	-40.8	0	0	0	112.4	I374 T515	I374-D511 HydrophobicContact CG1-CB 4.15Å; I374-D511 VanDerWaalsContact CG1-OD2 3.32Å; I374-D511 WeakPolarHBondContact CG1-OD2 3.32Å; D511-T515 WeakPolarHBondContact O-CB 3.32Å; D511-T515 PolarHBondContact O-N 3.03Å; D511-T515 PolarHBondContact O-OG1 3.39Å
512	L	94.7	Very high	95	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-51.7	174.5	-88.6	163.8	0	0	0	111.4	H377 F380 L381 V414 E417 F418 S510 A516	H377-L512 HydrophobicContact CB-CD2 3.64Å; H377-L512 HydrophobicContact CB-CG 3.96Å; F380-L512 HydrophobicContact CD1-CD2 4.3Å; L381-L512 HydrophobicContact CD1-CD2 4.09Å; L381-L512 VanDerWaalsContact CD1-O 3.27Å; L381-L512 WeakPolarHBondContact CD1-O 3.28Å; L381-L512 HydrophobicContact CG-CD2 4.24Å; V414-L512 HydrophobicContact CG1-CB 4.38Å; V414-L512 HydrophobicContact CG1-CD2 4.41Å; E417-L512 HydrophobicContact CG-CD1 4.24Å; E417-L512 HydrophobicContact CG-CD2 4.27Å; F418-L512 VanDerWaalsContact CA-CD1 3.42Å; F418-L512 HydrophobicContact CB-CD1 3.64Å; F418-L512 HydrophobicContact CD2-CD1 4.46Å; S510-L512 PolarHBondContact O-N 3.27Å; L512-A516 WeakPolarHBondContact O-CB 3.38Å; L512-A516 PolarHBondContact O-N 3.49Å
513	Y	97.1	Very high	94.2	Very high	24 Å²	24	55.2 Å²	55.2	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-47.1	178.8	175.7	-104.8	0	0	0	111.2	V395 W398 A399 F507 L508 S510 T515 A516 V517	V395-Y513 HydrophobicContact CG1-CE2 4.07Å; W398-Y513 HydrophobicContact CB-CE2 4.2Å; W398-Y513 HydrophobicContact CE3-CD2 4.16Å; W398-Y513 HydrophobicContact CE3-CE2 4.28Å; A399-Y513 VanDerWaalsContact CB-OH 3.26Å; A399-Y513 WeakPolarHBondContact CB-OH 3.34Å; F507-Y513 AromaticContact CE1-CD2 3.98Å; F507-Y513 HydrophobicContact CE1-CD2 3.98Å; F507-Y513 HydrophobicContact CE1-CG 4.47Å; F507-Y513 AromaticContact CZ-CD2 4Å; F507-Y513 HydrophobicContact CZ-CD2 4Å; F507-Y513 HydrophobicContact CZ-CG 4.43Å; F507-Y513 WeakPolarHBondContact O-CB 3.38Å; L508-Y513 HydrophobicContact CD2-CD1 4.47Å; L508-Y513 HydrophobicContact CD2-CD2 4.36Å; L508-Y513 HydrophobicContact CD2-CE1 4.39Å; L508-Y513 HydrophobicContact CD2-CE2 4.29Å; L508-Y513 HydrophobicContact CD2-CG 4.47Å; L508-Y513 VanDerWaalsContact O-CD1 3.25Å; L508-Y513 WeakPolarHBondContact O-CD1 3.19Å; S510-Y513 PolarHBondContact O-N 3.24Å; S510-Y513 VanDerWaalsContact O-N 3.13Å; S510-Y513 PolarHBondContact OG-N 3.06Å; Y513-T515 VanDerWaalsContact C-N 3.32Å; Y513-T515 PolarHBondContact O-N 3.31Å; Y513-A516 WeakPolarHBondContact O-CB 3.05Å; Y513-A516 PolarHBondContact O-N 3.1Å; Y513-V517 HydrophobicContact CD1-CG2 4.31Å; Y513-V517 HydrophobicContact CD2-CG2 4.49Å; Y513-V517 HydrophobicContact CE1-CG2 3.76Å; Y513-V517 HydrophobicContact CE2-CG2 3.96Å; Y513-V517 WeakPolarHBondContact O-CG2 3.47Å; Y513-V517 PolarHBondContact O-N 3.1Å
514	L	95.6	Very high	93.1	Very high	92 Å²	92	57.6 Å²	57.6	48%	0.482	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-39.4	-179.6	-62.5	178.3	0	0	0	112.2	S510 V517 E518	S510-L514 WeakPolarHBondContact O-CG 3.43Å; S510-L514 PolarHBondContact O-N 3.05Å; L514-V517 PolarHBondContact O-N 2.96Å; L514-E518 PolarHBondContact O-N 3.48Å
515	T	94	Very high	91.4	Very high	12 Å²	12	60.8 Å²	60.8	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-35	174.7	-58.3	0	0	0	0	111.5	R378 L381 D511 Y513 E518 L519	R378-T515 HydrophobicContact CB-CG2 4.48Å; L381-T515 HydrophobicContact CD1-CG2 3.7Å; D511-T515 WeakPolarHBondContact O-CB 3.32Å; D511-T515 PolarHBondContact O-N 3.03Å; D511-T515 PolarHBondContact O-OG1 3.39Å; Y513-T515 VanDerWaalsContact C-N 3.32Å; Y513-T515 PolarHBondContact O-N 3.31Å; T515-E518 PolarHBondContact O-N 3.5Å; T515-L519 HydrophobicContact CG2-CD1 3.94Å; T515-L519 HydrophobicContact CG2-CG 4.27Å; T515-L519 WeakPolarHBondContact O-CB 3.34Å; T515-L519 VanDerWaalsContact O-CG 3.27Å; T515-L519 WeakPolarHBondContact O-CG 3.41Å; T515-L519 PolarHBondContact O-N 3.11Å
516	A	95.6	Very high	89.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-40.2	174.4	0	0	0	0	0	111.8	L381 F385 V395 W398 L512 Y513 L519 S520	L381-A516 HydrophobicContact CD1-CB 4.39Å; L381-A516 HydrophobicContact CD2-CB 4.24Å; F385-A516 HydrophobicContact CE2-CB 4.11Å; F385-A516 HydrophobicContact CZ-CB 4.23Å; F385-A516 WeakPolarHBondContact CZ-O 3.45Å; V395-A516 HydrophobicContact CG1-CB 4.3Å; W398-A516 HydrophobicContact CZ3-CB 4.05Å; L512-A516 WeakPolarHBondContact O-CB 3.38Å; L512-A516 PolarHBondContact O-N 3.49Å; Y513-A516 WeakPolarHBondContact O-CB 3.05Å; Y513-A516 PolarHBondContact O-N 3.1Å; A516-L519 PolarHBondContact O-N 3.38Å; A516-S520 WeakPolarHBondContact O-CB 3.22Å; A516-S520 PolarHBondContact O-N 3.33Å; A516-S520 PolarHBondContact O-OG 3.35Å
517	V	95.2	Very high	87.8	Confident	30 Å²	30	57.3 Å²	57.3	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-43.3	173.8	173.8	0	0	0	0	111.4	V395 Y513 L514 S520 R521	V395-V517 HydrophobicContact CG1-CB 4.37Å; V395-V517 HydrophobicContact CG1-CG2 3.62Å; Y513-V517 HydrophobicContact CD1-CG2 4.31Å; Y513-V517 HydrophobicContact CD2-CG2 4.49Å; Y513-V517 HydrophobicContact CE1-CG2 3.76Å; Y513-V517 HydrophobicContact CE2-CG2 3.96Å; Y513-V517 WeakPolarHBondContact O-CG2 3.47Å; Y513-V517 PolarHBondContact O-N 3.1Å; L514-V517 PolarHBondContact O-N 2.96Å; V517-S520 PolarHBondContact O-OG 3.16Å; V517-R521 PolarHBondContact O-N 2.84Å; V517-R521 VanDerWaalsContact O-N 3.16Å
518	E	93	Very high	85.8	Confident	96 Å²	96	61.2 Å²	61.2	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-47.3	177.2	178.2	56.8	-158	0	0	111.6	L514 T515 S520 R521 I522	L514-E518 PolarHBondContact O-N 3.48Å; T515-E518 PolarHBondContact O-N 3.5Å; E518-S520 VanDerWaalsContact C-N 3.33Å; E518-S520 PolarHBondContact O-N 3.37Å; E518-R521 PolarHBondContact O-N 2.94Å; E518-I522 HydrophobicContact CG-CD1 4.09Å; E518-I522 WeakPolarHBondContact O-CG1 3.39Å; E518-I522 PolarHBondContact O-N 3.22Å; E518-I522 WeakPolarHBondContact OE1-CD1 3.42Å
519	L	91.7	Very high	83.6	Confident	22 Å²	22	63.5 Å²	63.5	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-34.8	-180	-71.3	172.6	0	0	0	112.6	L381 E382 F385 T515 A516 I522 R523	L381-L519 HydrophobicContact CB-CD1 3.53Å; E382-L519 HydrophobicContact CG-CD1 4.17Å; E382-L519 HydrophobicContact CG-CD2 4.03Å; F385-L519 HydrophobicContact CD1-CB 4.29Å; F385-L519 HydrophobicContact CD2-CB 3.92Å; F385-L519 HydrophobicContact CD2-CD1 3.95Å; F385-L519 HydrophobicContact CE1-CB 4.33Å; F385-L519 HydrophobicContact CE2-CB 3.97Å; F385-L519 HydrophobicContact CE2-CD1 4.29Å; F385-L519 HydrophobicContact CG-CB 4.08Å; F385-L519 HydrophobicContact CZ-CB 4.16Å; T515-L519 HydrophobicContact CG2-CD1 3.94Å; T515-L519 HydrophobicContact CG2-CG 4.27Å; T515-L519 WeakPolarHBondContact O-CB 3.34Å; T515-L519 VanDerWaalsContact O-CG 3.27Å; T515-L519 WeakPolarHBondContact O-CG 3.41Å; T515-L519 PolarHBondContact O-N 3.11Å; A516-L519 PolarHBondContact O-N 3.38Å; L519-I522 PolarHBondContact O-N 3.21Å; L519-R523 PolarHBondContact O-N 3.07Å; L519-R523 VanDerWaalsContact O-N 3.07Å
520	S	92.2	Very high	81.5	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-67.5	-40.6	176.2	74.2	0	0	0	0	111.7	A516 V517 E518 R523 E524	A516-S520 WeakPolarHBondContact O-CB 3.22Å; A516-S520 PolarHBondContact O-N 3.33Å; A516-S520 PolarHBondContact O-OG 3.35Å; V517-S520 PolarHBondContact O-OG 3.16Å; E518-S520 VanDerWaalsContact C-N 3.33Å; E518-S520 PolarHBondContact O-N 3.37Å; S520-R523 WeakPolarHBondContact O-CB 3.26Å; S520-R523 PolarHBondContact O-N 2.84Å; S520-E524 PolarHBondContact O-N 3.18Å
521	R	89	Confident	79.4	Confident	123 Å²	123	67.3 Å²	67.3	46%	0.464	34%	0.34	S	S	.	.	H	α-helix	trans	-60.8	-45.1	172.6	-84.6	-172.6	146.6	82.3	3.7	113	V517 E518 R523 E524 C525	V517-R521 PolarHBondContact O-N 2.84Å; V517-R521 VanDerWaalsContact O-N 3.16Å; E518-R521 PolarHBondContact O-N 2.94Å; R521-R523 VanDerWaalsContact C-N 3.27Å; R521-R523 PolarHBondContact O-N 2.97Å; R521-E524 PolarHBondContact O-N 2.92Å; R521-C525 PolarHBondContact O-N 3.38Å
522	I	84	Confident	77.1	Confident	75 Å²	75	66.6 Å²	66.6	39%	0.385	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-38.2	177.8	-67.2	166.5	0	0	0	110.8	E518 L519 C525 N526	E518-I522 HydrophobicContact CG-CD1 4.09Å; E518-I522 WeakPolarHBondContact O-CG1 3.39Å; E518-I522 PolarHBondContact O-N 3.22Å; E518-I522 WeakPolarHBondContact OE1-CD1 3.42Å; L519-I522 PolarHBondContact O-N 3.21Å; I522-C525 PolarHBondContact O-N 3.38Å; I522-N526 PolarHBondContact O-N 2.86Å; I522-N526 PolarHBondContact O-ND2 3.07Å
523	R	80.2	Confident	74.8	Confident	92 Å²	92	75.2 Å²	75.2	35%	0.347	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-42.9	179.9	-172	176.9	179.9	-129	-3.9	112	G389 L519 S520 R521 N526 M527	G389-R523 PolarHBondContact O-NH1 3.41Å; L519-R523 PolarHBondContact O-N 3.07Å; L519-R523 VanDerWaalsContact O-N 3.07Å; S520-R523 WeakPolarHBondContact O-CB 3.26Å; S520-R523 PolarHBondContact O-N 2.84Å; R521-R523 VanDerWaalsContact C-N 3.27Å; R521-R523 PolarHBondContact O-N 2.97Å; R523-N526 PolarHBondContact O-N 2.79Å; R523-M527 WeakPolarHBondContact O-CG 3.33Å; R523-M527 PolarHBondContact O-N 3.16Å; R523-M527 VanDerWaalsContact O-N 3.15Å
524	E	75.4	Confident	72.4	Confident	55 Å²	55	82.2 Å²	82.2	26%	0.257	42%	0.415	S	S	.	.	H	α-helix	trans	-63.2	-46.3	177.7	-72.1	-170.7	161.2	0	0	113	R392 S520 R521 N526 M527 S528	R392-E524 HydrophobicContact CB-CG 4.17Å; R392-E524 WeakPolarHBondContact CB-OE1 3.32Å; R392-E524 WeakPolarHBondContact CD-OE1 3.35Å; R392-E524 WeakPolarHBondContact CD-OE2 3.37Å; R392-E524 IonicContact CZ-OE2 3.7Å; R392-E524 IonicContact NE-OE2 3.75Å; R392-E524 IonicContact NH1-OE2 2.84Å; R392-E524 PolarHBondContact NH1-OE2 3.4Å; S520-E524 PolarHBondContact O-N 3.18Å; R521-E524 PolarHBondContact O-N 2.92Å; E524-N526 PolarHBondContact O-N 3.09Å; E524-M527 WeakPolarHBondContact O-CA 3.35Å; E524-M527 PolarHBondContact O-N 2.93Å; E524-S528 PolarHBondContact O-N 2.74Å; E524-S528 PolarHBondContact O-OG 3.48Å
525	C	63.5	Low	70.1	Confident	73 Å²	73	82 Å²	82	49%	0.493	42%	0.421	S	S	.	.	H	α-helix	trans	-57.2	-38.4	178	-176.5	0	0	0	0	111.4	R521 I522 M527 N529	R521-C525 PolarHBondContact O-N 3.38Å; I522-C525 PolarHBondContact O-N 3.38Å; C525-M527 VanDerWaalsContact C-N 3.34Å; C525-M527 PolarHBondContact O-N 3.41Å; C525-N529 WeakPolarHBondContact O-CB 3.47Å; C525-N529 PolarHBondContact O-N 2.91Å; C525-N529 VanDerWaalsContact O-N 3.1Å; C525-N529 PolarHBondContact O-ND2 2.89Å
526	N	62.8	Low	67.9	Low	88 Å²	88	87.7 Å²	87.7	47%	0.471	46%	0.456	S	S	.	.	H	α-helix	trans	-70	-27.9	176.4	-72.3	-40.6	0	0	0	113.7	I522 R523 E524 K530	I522-N526 PolarHBondContact O-N 2.86Å; I522-N526 PolarHBondContact O-ND2 3.07Å; R523-N526 PolarHBondContact O-N 2.79Å; E524-N526 PolarHBondContact O-N 3.09Å; N526-K530 WeakPolarHBondContact O-CG 3.4Å; N526-K530 PolarHBondContact O-N 2.82Å
527	M	58.4	Low	65.8	Low	102 Å²	102	92.8 Å²	92.8	50%	0.502	48%	0.482	S	S	.	.	H	α-helix	trans	-76.6	-42.5	174.8	-68.8	-59.7	-66	0	0	111.6	R523 E524 C525 N529 K530 L531	R523-M527 WeakPolarHBondContact O-CG 3.33Å; R523-M527 PolarHBondContact O-N 3.16Å; R523-M527 VanDerWaalsContact O-N 3.15Å; E524-M527 WeakPolarHBondContact O-CA 3.35Å; E524-M527 PolarHBondContact O-N 2.93Å; C525-M527 VanDerWaalsContact C-N 3.34Å; C525-M527 PolarHBondContact O-N 3.41Å; M527-N529 VanDerWaalsContact C-N 3.27Å; M527-N529 PolarHBondContact O-N 2.99Å; M527-K530 PolarHBondContact O-N 2.89Å; M527-K530 HydrophobicContact SD-CD 4.37Å; M527-L531 PolarHBondContact O-N 2.74Å
528	S	56.2	Low	63.7	Low	82 Å²	82	96.4 Å²	96.4	57%	0.573	50%	0.5	S	S	*	.	H	α-helix	trans	-60.5	-38	174	-56.5	0	0	0	0	111.9	E524 K530 L531 G532	E524-S528 PolarHBondContact O-N 2.74Å; E524-S528 PolarHBondContact O-OG 3.48Å; S528-K530 VanDerWaalsContact C-N 3.28Å; S528-K530 PolarHBondContact O-N 2.9Å; S528-L531 PolarHBondContact O-N 3.17Å; S528-G532 PolarHBondContact O-N 3.32Å; S528-G532 VanDerWaalsContact O-N 3.1Å
529	N	52.1	Low	61.8	Low	82 Å²	82	98.7 Å²	98.7	44%	0.439	51%	0.509	S	S	.	.	H	α-helix	trans	-72.8	-13.3	176.3	-69.8	-27.1	0	0	0	114.6	C525 M527 R533	C525-N529 WeakPolarHBondContact O-CB 3.47Å; C525-N529 PolarHBondContact O-N 2.91Å; C525-N529 VanDerWaalsContact O-N 3.1Å; C525-N529 PolarHBondContact O-ND2 2.89Å; M527-N529 VanDerWaalsContact C-N 3.27Å; M527-N529 PolarHBondContact O-N 2.99Å; N529-R533 PolarHBondContact O-NH1 2.9Å; N529-R533 VanDerWaalsContact O-NH1 3.09Å
530	K	51.6	Low	59.8	Low	139 Å²	139	107.9 Å²	107.9	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-82	-36.7	172.7	-81.6	179.9	179.8	-179.5	0	111.5	N526 M527 S528	N526-K530 WeakPolarHBondContact O-CG 3.4Å; N526-K530 PolarHBondContact O-N 2.82Å; M527-K530 PolarHBondContact O-N 2.89Å; M527-K530 HydrophobicContact SD-CD 4.37Å; S528-K530 VanDerWaalsContact C-N 3.28Å; S528-K530 PolarHBondContact O-N 2.9Å
531	L	51.7	Low	57.3	Low	149 Å²	149	110.4 Å²	110.4	78%	0.78	57%	0.568	S	S	*	*	H	α-helix	trans	-72.2	-36.9	174.2	-72.5	160	0	0	0	111.4	M527 S528 R533	M527-L531 PolarHBondContact O-N 2.74Å; S528-L531 PolarHBondContact O-N 3.17Å; L531-R533 PolarHBondContact O-N 2.98Å; L531-R533 VanDerWaalsContact O-N 3.11Å
532	G	45.9	Very low	55.3	Low	58 Å²	58	108.7 Å²	108.7	60%	0.598	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	2.2	178.9	0	0	0	0	0	116.6	S528 H534	S528-G532 PolarHBondContact O-N 3.32Å; S528-G532 VanDerWaalsContact O-N 3.1Å; G532-H534 VanDerWaalsContact C-N 3.3Å; G532-H534 PolarHBondContact O-N 3.24Å
533	R	45.1	Very low	53.3	Low	184 Å²	184	113.9 Å²	113.9	69%	0.694	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	0.5	176.5	-84.1	-173.2	170.3	87.5	-1.8	114.7	N529 L531	N529-R533 PolarHBondContact O-NH1 2.9Å; N529-R533 VanDerWaalsContact O-NH1 3.09Å; L531-R533 PolarHBondContact O-N 2.98Å; L531-R533 VanDerWaalsContact O-N 3.11Å
534	H	46.6	Very low	51.7	Low	170 Å²	170	114.4 Å²	114.4	79%	0.787	61%	0.605	S	S	*	*	S	Bend	trans	-108.6	56.4	176.8	-58.8	88.9	0	0	0	112.5	G532	G532-H534 VanDerWaalsContact C-N 3.3Å; G532-H534 PolarHBondContact O-N 3.24Å
535	S	47.9	Very low	50.1	Low	88 Å²	88	115.5 Å²	115.5	62%	0.615	62%	0.623	S	S	*	*			trans	-168	80.4	143.8	62.6	0	0	0	0	107.6	I537	S535-I537 PolarHBondContact O-N 3.37Å
536	V	48.9	Very low	49.1	Very low	132 Å²	132	120.8 Å²	120.8	80%	0.8	64%	0.638	S	S	*	*			trans	-62.6	99.3	147.8	177.1	0	0	0	0	103.5	D538	V536-D538 VanDerWaalsContact C-N 3.31Å; V536-D538 PolarHBondContact O-N 2.88Å
537	I	51.3	Low	48	Very low	107 Å²	107	121.7 Å²	121.7	55%	0.549	65%	0.647	S	S	.	*			trans	-55.4	107.6	164.5	-63.3	163.5	0	0	0	103.6	S535 F539	S535-I537 PolarHBondContact O-N 3.37Å; I537-F539 VanDerWaalsContact C-N 3.31Å; I537-F539 HydrophobicContact CB-CD2 4.49Å; I537-F539 HydrophobicContact CB-CE2 3.98Å; I537-F539 HydrophobicContact CB-CZ 4.22Å; I537-F539 HydrophobicContact CG2-CD2 4.45Å; I537-F539 HydrophobicContact CG2-CE1 4.26Å; I537-F539 HydrophobicContact CG2-CE2 4.11Å; I537-F539 HydrophobicContact CG2-CZ 4Å; I537-F539 WeakPolarHBondContact O-CD2 3.23Å; I537-F539 WeakPolarHBondContact O-CE2 3.15Å; I537-F539 PolarHBondContact O-N 3.37Å
538	D	51.1	Low	47	Very low	105 Å²	105	123.4 Å²	123.4	56%	0.561	66%	0.663	S	S	*	*			trans	-71.4	93.1	-178.4	-173.3	5.6	0	0	0	108.5	V536 R540 G541	V536-D538 VanDerWaalsContact C-N 3.31Å; V536-D538 PolarHBondContact O-N 2.88Å; D538-R540 PolarHBondContact O-N 3.04Å; D538-R540 VanDerWaalsContact O-N 3.12Å; D538-R540 WeakPolarHBondContact OD1-CB 3.05Å; D538-R540 VanDerWaalsContact OD1-CG 3.23Å; D538-R540 WeakPolarHBondContact OD1-CG 3.49Å; D538-R540 PolarHBondContact OD1-N 3.49Å; D538-G541 PolarHBondContact O-N 2.98Å
539	F	51.8	Low	46.2	Very low	144 Å²	144	124.8 Å²	124.8	63%	0.632	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-66.1	-5.9	176.1	-68.9	-84.1	0	0	0	112.7	I537 G541 I542	I537-F539 VanDerWaalsContact C-N 3.31Å; I537-F539 HydrophobicContact CB-CD2 4.49Å; I537-F539 HydrophobicContact CB-CE2 3.98Å; I537-F539 HydrophobicContact CB-CZ 4.22Å; I537-F539 HydrophobicContact CG2-CD2 4.45Å; I537-F539 HydrophobicContact CG2-CE1 4.26Å; I537-F539 HydrophobicContact CG2-CE2 4.11Å; I537-F539 HydrophobicContact CG2-CZ 4Å; I537-F539 WeakPolarHBondContact O-CD2 3.23Å; I537-F539 WeakPolarHBondContact O-CE2 3.15Å; I537-F539 PolarHBondContact O-N 3.37Å; F539-G541 PolarHBondContact O-N 2.82Å; F539-I542 HydrophobicContact CD1-CD1 3.68Å; F539-I542 HydrophobicContact CE1-CD1 4.18Å; F539-I542 PolarHBondContact O-N 3.12Å
540	R	50.6	Low	45.4	Very low	215 Å²	215	130 Å²	130	81%	0.811	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-63.3	-21.6	176.7	-66.9	178.8	-174.8	-164.4	2.9	112.5	D538	D538-R540 PolarHBondContact O-N 3.04Å; D538-R540 VanDerWaalsContact O-N 3.12Å; D538-R540 WeakPolarHBondContact OD1-CB 3.05Å; D538-R540 VanDerWaalsContact OD1-CG 3.23Å; D538-R540 WeakPolarHBondContact OD1-CG 3.49Å; D538-R540 PolarHBondContact OD1-N 3.49Å
541	G	38.5	Very low	44.6	Very low	55 Å²	55	133.9 Å²	133.9	57%	0.567	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-75.1	-16.7	172.6	0	0	0	0	0	115.3	D538 F539 K543	D538-G541 PolarHBondContact O-N 2.98Å; F539-G541 PolarHBondContact O-N 2.82Å; G541-K543 VanDerWaalsContact C-N 3.33Å; G541-K543 PolarHBondContact O-N 3.2Å
542	I	46.8	Very low	43.9	Very low	87 Å²	87	131.9 Å²	131.9	45%	0.446	70%	0.703	S	S	.	*	G	3₁₀ helix	trans	-87.4	-1.2	-170.6	-52.5	-171.6	0	0	0	112.7	F539 S544 A545	F539-I542 HydrophobicContact CD1-CD1 3.68Å; F539-I542 HydrophobicContact CE1-CD1 4.18Å; F539-I542 PolarHBondContact O-N 3.12Å; I542-S544 PolarHBondContact O-N 2.88Å; I542-A545 PolarHBondContact O-N 3.42Å
543	K	43.5	Very low	43.3	Very low	184 Å²	184	134.2 Å²	134.2	80%	0.8	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-67.3	-15.2	178.9	-85.7	-171.9	175.3	-176.1	0	114.8	G541	G541-K543 VanDerWaalsContact C-N 3.33Å; G541-K543 PolarHBondContact O-N 3.2Å
544	S	45.8	Very low	42.9	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-83.9	-13	178.1	58.3	0	0	0	0	114.5	I542	I542-S544 PolarHBondContact O-N 2.88Å
545	A	41.3	Very low	42.4	Very low	77 Å²	77	128.7 Å²	128.7	64%	0.636	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-10.3	-177.2	0	0	0	0	0	114.4	I542	I542-A545 PolarHBondContact O-N 3.42Å
546	F	43.6	Very low	42	Very low	184 Å²	184	130 Å²	130	81%	0.807	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	9.1	-171.6	-93.9	-81.2	0	0	0	115.8
547	T	39.7	Very low	41.3	Very low	108 Å²	108	129 Å²	129	66%	0.663	72%	0.716	S	S	*	*			trans	-126.3	47.2	-173.1	65.7	0	0	0	0	115.2
548	T	37.1	Very low	40.4	Very low	137 Å²	137	131.6 Å²	131.6	84%	0.84	73%	0.729	S	S	*	*			trans	-152.1	83.7	157.9	53.1	0	0	0	0	111.2
549	S	38.8	Very low	39.4	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	74%	0.736	S	S	*	*			trans	-168.2	68.1	141.1	-167.5	0	0	0	0	108.8
550	K	35.6	Very low	38.4	Very low	192 Å²	192	129.3 Å²	129.3	84%	0.835	74%	0.744	S	S	*	*			trans	-88.6	137.5	148.6	-68.9	-177.7	180	178.8	0	104.1
551	Y	36	Very low	37.5	Very low	221 Å²	221	123.9 Å²	123.9	87%	0.867	74%	0.74	S	S	*	*			trans	86.2	84.1	-170.3	-47	-70.9	0	0	0	114.9
552	S	35	Very low	37.1	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	75%	0.749	S	S	*	*				-178.8	119.2	102	-172.1	0	0	0	0	109	V554	S552-V554 PolarHBondContact O-N 3.18Å
553	S	35.1	Very low	36.4	Very low	106 Å²	106	129.7 Å²	129.7	74%	0.741	76%	0.761	S	S	*	*			trans	-48	115.7	161	45.9	0	0	0	0	110.7
554	V	35.7	Very low	35.7	Very low	121 Å²	121	126.4 Å²	126.4	73%	0.733	76%	0.757	S	S	*	*				171.8	114.4	129.5	169.4	0	0	0	0	105.4	S552	S552-V554 PolarHBondContact O-N 3.18Å
555	P	36.8	Very low	34.9	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-62.7	128	170.2	-9.8	23.7	0	0	0	108.2	S557	P555-S557 PolarHBondContact O-N 3.15Å; P555-S557 VanDerWaalsContact O-N 3.14Å
556	P	39.4	Very low	34.5	Very low	116 Å²	116	132.9 Å²	132.9	75%	0.753	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.3	168	-15.1	28	0	0	0	107.5	I558	P556-I558 PolarHBondContact O-N 3.34Å; P556-I558 VanDerWaalsContact O-N 3.08Å
557	S	34.7	Very low	33.8	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-50.2	117.9	168.4	50.5	0	0	0	0	108.3	P555 A559	P555-S557 PolarHBondContact O-N 3.15Å; P555-S557 VanDerWaalsContact O-N 3.14Å; S557-A559 VanDerWaalsContact C-N 3.32Å; S557-A559 PolarHBondContact O-N 2.95Å
558	I	31.6	Very low	33.5	Very low	161 Å²	161	132.2 Å²	132.2	83%	0.826	78%	0.781	S	S	*	*			trans	-61.2	98.5	173.8	-62.7	168.3	0	0	0	106.2	P556 S560	P556-I558 PolarHBondContact O-N 3.34Å; P556-I558 VanDerWaalsContact O-N 3.08Å; I558-S560 PolarHBondContact O-N 3.33Å
559	A	30.7	Very low	33.3	Very low	86 Å²	86	131.3 Å²	131.3	71%	0.711	78%	0.78	S	S	*	*			trans	-66.3	116.6	166	0	0	0	0	0	106.6	S557 S561	S557-A559 VanDerWaalsContact C-N 3.32Å; S557-A559 PolarHBondContact O-N 2.95Å; A559-S561 VanDerWaalsContact C-N 3.29Å; A559-S561 PolarHBondContact O-N 2.96Å
560	S	30.1	Very low	32.8	Very low	114 Å²	114	131 Å²	131	80%	0.797	78%	0.778	S	S	*	*			trans	-58.3	88.4	172.5	-57.8	0	0	0	0	109.9	I558 T562	I558-S560 PolarHBondContact O-N 3.33Å; S560-T562 PolarHBondContact O-N 2.86Å
561	S	31.4	Very low	32.5	Very low	102 Å²	102	127 Å²	127	71%	0.713	77%	0.774	S	S	*	*			trans	-80	97.4	166.2	55.7	0	0	0	0	107.9	A559 I563	A559-S561 VanDerWaalsContact C-N 3.29Å; A559-S561 PolarHBondContact O-N 2.96Å; S561-I563 PolarHBondContact O-N 3.17Å
562	T	30.1	Very low	32.3	Very low	124 Å²	124	122.5 Å²	122.5	76%	0.761	78%	0.775	S	S	*	*			trans	-49.8	103.2	165.5	-56.8	0	0	0	0	109.2	S560 T564	S560-T562 PolarHBondContact O-N 2.86Å; T562-T564 PolarHBondContact O-N 3.28Å
563	I	31.7	Very low	31.9	Very low	139 Å²	139	125.2 Å²	125.2	71%	0.713	78%	0.778	S	S	*	*			trans	-75.2	106.4	168.9	-66.4	172.6	0	0	0	106.1	S561 Y565	S561-I563 PolarHBondContact O-N 3.17Å; I563-Y565 PolarHBondContact O-N 3.2Å
564	T	29.3	Very low	31.7	Very low	116 Å²	116	125.6 Å²	125.6	71%	0.712	78%	0.776	S	S	*	*			trans	-63.9	111.1	173.1	48.1	0	0	0	0	109.1	T562 A566	T562-T564 PolarHBondContact O-N 3.28Å; T564-A566 PolarHBondContact O-N 3.39Å
565	Y	29.8	Very low	31.4	Very low	226 Å²	226	126 Å²	126	89%	0.886	77%	0.774	S	S	*	*			trans	-67.1	110.5	160.1	-79.4	-95.3	0	0	0	107.3	I563	I563-Y565 PolarHBondContact O-N 3.2Å
566	A	32.8	Very low	31.3	Very low	91 Å²	91	128.9 Å²	128.9	75%	0.752	78%	0.782	S	S	*	*			trans	-107	130	168.3	0	0	0	0	0	108.4	T564	T564-A566 PolarHBondContact O-N 3.39Å
567	D	29.1	Very low	31	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	78%	0.784	S	S	*	*			trans	-57.8	134.8	-160.2	-67.1	-54.8	0	0	0	115.6	S569	D567-S569 PolarHBondContact O-N 2.82Å; D567-S569 VanDerWaalsContact O-N 3.17Å
568	S	32.4	Very low	31	Very low	125 Å²	125	129.8 Å²	129.8	87%	0.874	78%	0.78	S	S	*	*			trans	-75.5	92	158.4	-56.5	0	0	0	0	108.2	S570	S568-S570 PolarHBondContact O-N 3.2Å; S568-S570 VanDerWaalsContact O-N 3.15Å
569	S	34.4	Very low	31.1	Very low	118 Å²	118	131.6 Å²	131.6	83%	0.825	78%	0.781	S	S	*	*			trans	-70.7	105.9	171.4	38.3	0	0	0	0	110	D567	D567-S569 PolarHBondContact O-N 2.82Å; D567-S569 VanDerWaalsContact O-N 3.17Å
570	S	27.9	Very low	31.2	Very low	104 Å²	104	134 Å²	134	73%	0.727	78%	0.781	S	S	*	*			trans	-66.8	152.2	164.9	59.3	0	0	0	0	111.7	S568	S568-S570 PolarHBondContact O-N 3.2Å; S568-S570 VanDerWaalsContact O-N 3.15Å
571	S	28.2	Very low	31.4	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	78%	0.778	S	S	*	*			trans	97.3	107.9	162.4	89.3	0	0	0	0	116.6
572	S	31.4	Very low	31.5	Very low	128 Å²	128	134.4 Å²	134.4	90%	0.895	78%	0.778	S	S	*	*			trans	-149.2	132	137.4	-75.7	0	0	0	0	107.7
573	M	28.3	Very low	31.8	Very low	164 Å²	164	134.4 Å²	134.4	81%	0.808	78%	0.779	S	S	*	*			trans	-79.4	147	-157.6	-68.8	-131.9	81.2	0	0	114
574	T	29.3	Very low	31.9	Very low	113 Å²	113	137.5 Å²	137.5	69%	0.693	79%	0.787	S	S	*	*			trans	3.4	142.8	143.4	57.6	0	0	0	0	120
575	N	30.2	Very low	32.1	Very low	130 Å²	130	140.6 Å²	140.6	70%	0.695	80%	0.795	S	S	*	*				127.2	80.4	124.7	-147.4	-7.7	0	0	0	113.9
576	L	35.8	Very low	32.5	Very low	178 Å²	178	137.3 Å²	137.3	93%	0.932	79%	0.793	S	S	*	*			trans	-98.7	103.7	163.8	-75.2	172.2	0	0	0	108.8	S578	L576-S578 PolarHBondContact O-N 3.22Å
577	N	32.9	Very low	32.4	Very low	147 Å²	147	142.4 Å²	142.4	79%	0.786	80%	0.801	S	S	*	*			trans	-48.7	111.5	178.5	-81.4	-44.8	0	0	0	113.2	K579	N577-K579 PolarHBondContact O-N 3Å
578	S	33.2	Very low	33	Very low	100 Å²	100	148.2 Å²	148.2	70%	0.699	82%	0.819	S	S	*	*			trans	-76.6	107.7	161.9	56.3	0	0	0	0	109.8	L576 I580	L576-S578 PolarHBondContact O-N 3.22Å; S578-I580 PolarHBondContact O-N 3.23Å; S578-I580 VanDerWaalsContact O-N 3.12Å
579	K	33.8	Very low	33	Very low	198 Å²	198	149.4 Å²	149.4	86%	0.861	82%	0.817	S	S	*	*			trans	-79.9	83.7	176.5	-157	172.8	-172.4	178.1	0	109.3	N577	N577-K579 PolarHBondContact O-N 3Å
580	I	33.2	Very low	32.9	Very low	137 Å²	137	151.1 Å²	151.1	70%	0.703	82%	0.816	S	S	*	*			trans	-85.2	108.9	171.6	-64.2	173.9	0	0	0	107.7	S578 S582	S578-I580 PolarHBondContact O-N 3.23Å; S578-I580 VanDerWaalsContact O-N 3.12Å; I580-S582 PolarHBondContact O-N 2.85Å
581	V	34.9	Very low	33.2	Very low	120 Å²	120	153.7 Å²	153.7	73%	0.727	82%	0.821	S	S	*	*			trans	-79.9	99.6	173.6	175.2	0	0	0	0	107.9	T583	V581-T583 PolarHBondContact O-N 3.14Å
582	S	33.3	Very low	33.5	Very low	104 Å²	104	156.4 Å²	156.4	73%	0.727	83%	0.825	S	S	*	*			trans	-77.8	106.9	171.6	-64	0	0	0	0	110.1	I580 K584	I580-S582 PolarHBondContact O-N 2.85Å; S582-K584 PolarHBondContact O-N 3.24Å
583	T	35.8	Very low	33.6	Very low	125 Å²	125	158.2 Å²	158.2	77%	0.767	82%	0.821	S	S	*	*			trans	-71	107.7	166.9	39.4	0	0	0	0	109.8	V581 M585	V581-T583 PolarHBondContact O-N 3.14Å; T583-M585 PolarHBondContact O-N 3.08Å
584	K	34.3	Very low	34	Very low	203 Å²	203	157.8 Å²	157.8	88%	0.883	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-62.8	117.3	165.9	-90	177.4	169.7	177.8	0	109.4	S582	S582-K584 PolarHBondContact O-N 3.24Å
585	M	34	Very low	34.3	Very low	182 Å²	182	161 Å²	161	90%	0.897	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-91.5	130.1	156.2	-76.6	-150.4	81.9	0	0	108.8	T583	T583-M585 PolarHBondContact O-N 3.08Å
586	N	37.6	Very low	34.6	Very low	157 Å²	157	163.4 Å²	163.4	84%	0.84	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-65.9	123	177.7	-85.8	-19.3	0	0	0	111
587	E	31.4	Very low	34.5	Very low	198 Å²	198	162.2 Å²	162.2	93%	0.925	83%	0.834	S	S	*	*			trans	-102.5	98.9	150.2	-78.4	-176	158.2	0	0	107.6
588	K	39.7	Very low	34.7	Very low	275 Å²	275	163.5 Å²	163.5	100%	1.196	84%	0.839	S	S	*	*			trans	-157.3	0	152.1	-131.8	-176.1	-174.1	-175.8	0	109.7

Retrieved 588 of 588 residues in 176 ms (Link to these results)

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