A0A5K4F1Q0_SCHMA Loading...

SUN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1Q0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 876 aa.

						>A0A5K4F1Q0_SCHMA|A0A5K4F1Q0
MDKTKRKTFMFIPSELTELTLLRNQKSKFSNTTDFYSLGYKIPEIYGSQSNNIEVVLILGFYDSFSKKNEVCPYCCVKIQSDENLHVCAQSLKKYKFDRSCIETYYPLLTNESYIWISLDMNKLPSLLKHGILMKYSRLFSSQKNTCCYDNQLFESSNRWLYSMMKYEIGQSLCTLILWSNQFTPDYTIPCYNQCNYEKKSARQHSHFIEIIKQIFTKLFHKTIEMSYTLLLIKYQYDTSKKSSIFCTNCLNKLSSTTTNTNTTSTDTTTTDNSSNIITTDHSSMLHIHHSNMLSLSTFIPDPSLILFCAVQLLILMLCFMTVPHRHHHHRHMVNHYNSDCCTPNTNKLSQLFSCSPIQSNYNTVTTTTTTTTTNMVISSWLPNDLNCKIIPTLGLFYLDKNEENYTLTLSSKNLTSSSPWILYNSTKELVNYLSPSTNYCQMNILYRYIEYFTCELTRLLLWLEQGKPAGLKINIHLSYLMGQFFLYHLLAWRSYVTFIIQLLIYLINQLNPIATIHSINNHNHNNNYYYIINMITIICLLMSTIYIMATISIYQYKQYYPHYYHYHYHYYYYYIIFIFKLFLMCFSLIIRLMFSLLLCLLLDTIELITLHLTSFYIYATHLLRLQLKTIAASWRLCRNSSKWNPLRNRVDKIPDMYVDSNEFFLSVNSLQKKISLSSSSSSPTLLSTSTTPEFVNDTNQYQRHQSERSIMGQKNILYKFISHKKDSDIILCDQLTKQTCGLYLDRLLVSTLLGLAIGLCLFTTTIAFYITFTSVQLILLLIKNILKSLIWFIMDFPLESLVCWLLNSSNYQTKLVLETPRIDSKYFPFLQLKVTRIDFNEMYQQNHLLHKPIFPSKSLSFMNIFYCLLSAQDIR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	33.4	Very low	241 Å²	241	139.7 Å²	139.7	100%	1.187	66%	0.656	S	S	*	*				0	128.4	0	-76	-154.3	161.5	0	0	107.8
2	D	30.5	Very low	33.8	Very low	129 Å²	129	130.3 Å²	130.3	69%	0.69	61%	0.612	S	S	*	*			trans	-53.3	133.5	-146.3	-63.1	-43.9	0	0	0	117	T4	D2-T4 PolarHBondContact O-N 3.2Å; D2-T4 VanDerWaalsContact O-N 3.15Å
3	K	38.5	Very low	33.7	Very low	221 Å²	221	124.6 Å²	124.6	96%	0.961	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	5.6	173.4	-78.8	-178.1	174.5	178.9	0	113.5
4	T	40.5	Very low	34.2	Very low	123 Å²	123	118 Å²	118	76%	0.755	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-9.9	-169.6	51.3	0	0	0	0	115.3	D2	D2-T4 PolarHBondContact O-N 3.2Å; D2-T4 VanDerWaalsContact O-N 3.15Å
5	K	34.8	Very low	34.3	Very low	83 Å²	83	121.4 Å²	121.4	36%	0.361	58%	0.582	S	S	.	*			trans	-89.2	119.9	-179.8	-68.1	-171.5	177.5	-173.3	0	111.9	K7 E54	K5-K7 PolarHBondContact O-N 3.5Å; K5-E54 HydrophobicContact CD-CG 4.25Å
6	R	28.7	Very low	34.2	Very low	207 Å²	207	122.1 Å²	122.1	78%	0.781	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.8	111	168	-94.6	-175.4	177.1	174.4	0.2	108.4	E54	R6-E54 PolarHBondContact O-N 2.84Å
7	K	32.7	Very low	34.2	Very low	119 Å²	119	117.3 Å²	117.3	52%	0.517	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91	120.9	172.7	-68.2	-179.2	179.7	179.2	0	109.4	K5 F9 E54	K5-K7 PolarHBondContact O-N 3.5Å; K7-F9 HydrophobicContact CB-CD2 4.48Å; K7-F9 HydrophobicContact CB-CE2 3.83Å; K7-F9 HydrophobicContact CB-CZ 4.09Å; K7-F9 HydrophobicContact CD-CZ 4.23Å; K7-E54 WeakPolarHBondContact CE-OE2 3.22Å; K7-E54 HydrophobicContact CG-CB 4.37Å; K7-E54 WeakPolarHBondContact CG-OE2 3.45Å
8	T	30.9	Very low	34.2	Very low	58 Å²	58	121.2 Å²	121.2	36%	0.356	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.1	114.4	171.1	20.3	0	0	0	0	108.7	I53 E54 V56	T8-I53 WeakPolarHBondContact OG1-CG2 3.35Å; T8-E54 PolarHBondContact N-O 3.26Å; T8-E54 PolarHBondContact OG1-O 3.43Å; T8-V56 PolarHBondContact O-N 3.41Å
9	F	32.7	Very low	34.1	Very low	133 Å²	133	123.5 Å²	123.5	58%	0.583	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.3	114.5	176.4	-63.9	-84.4	0	0	0	108.4	K7 V56 I58	K7-F9 HydrophobicContact CB-CD2 4.48Å; K7-F9 HydrophobicContact CB-CE2 3.83Å; K7-F9 HydrophobicContact CB-CZ 4.09Å; K7-F9 HydrophobicContact CD-CZ 4.23Å; F9-V56 HydrophobicContact CD1-CB 4.15Å; F9-V56 HydrophobicContact CD1-CG1 4.26Å; F9-V56 HydrophobicContact CE1-CB 4.46Å; F9-V56 HydrophobicContact CE1-CG1 4.46Å; F9-I58 HydrophobicContact CD1-CD1 4.21Å
10	M	32.7	Very low	33.9	Very low	79 Å²	79	121.8 Å²	121.8	39%	0.389	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	103.8	172.4	-161.1	172.1	-170.2	0	0	108.2	I12 P43 V56 I58	M10-I12 HydrophobicContact CG-CG1 4.29Å; M10-P43 HydrophobicContact CE-CG 3.91Å; M10-V56 PolarHBondContact N-O 3.15Å; M10-V56 VanDerWaalsContact N-O 3.13Å; M10-I58 PolarHBondContact O-N 3.29Å
11	F	34.2	Very low	34	Very low	144 Å²	144	118.2 Å²	118.2	63%	0.632	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.8	116.4	168	-105.8	-89.6	0	0	0	107.8	P13 I58	F11-P13 WeakPolarHBondContact O-CD 3.33Å; F11-I58 HydrophobicContact CD2-CD1 4.12Å; F11-I58 HydrophobicContact CE1-CG2 4.17Å; F11-I58 HydrophobicContact CE2-CD1 3.59Å; F11-I58 HydrophobicContact CE2-CG2 4.49Å; F11-I58 HydrophobicContact CZ-CD1 4.09Å; F11-I58 HydrophobicContact CZ-CG2 4.05Å
12	I	37.9	Very low	34.1	Very low	26 Å²	26	112.7 Å²	112.7	13%	0.133	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.9	97.7	172	-55.4	177.5	0	0	0	106.6	M10 S14 Y40 L57	M10-I12 HydrophobicContact CG-CG1 4.29Å; I12-S14 PolarHBondContact O-N 3.33Å; I12-Y40 HydrophobicContact CD1-CD1 4.17Å; I12-Y40 HydrophobicContact CD1-CE1 3.62Å; I12-Y40 HydrophobicContact CD1-CE2 4.4Å; I12-L57 HydrophobicContact CD1-CD2 3.78Å
13	P	33.1	Very low	34.1	Very low	57 Å²	57	115.5 Å²	115.5	37%	0.37	56%	0.557	S	S	.	*			trans	-61.5	139.5	169.7	26.4	-31.3	0	0	0	107.8	F11 E15 L16	F11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-E15 PolarHBondContact O-N 3.11Å; P13-L16 HydrophobicContact CG-CB 4.29Å; P13-L16 HydrophobicContact CG-CD1 3.65Å; P13-L16 PolarHBondContact O-N 3.06Å
14	S	39.9	Very low	33.8	Very low	32 Å²	32	107.9 Å²	107.9	22%	0.224	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	2.1	-175.9	83.3	0	0	0	0	114.1	I12 K135	I12-S14 PolarHBondContact O-N 3.33Å; S14-K135 VanDerWaalsContact CB-NZ 3.25Å; S14-K135 WeakPolarHBondContact O-CE 3.34Å; S14-K135 PolarHBondContact O-NZ 2.71Å; S14-K135 PolarHBondContact OG-NZ 3.39Å
15	E	36.5	Very low	33.5	Very low	169 Å²	169	107.7 Å²	107.7	79%	0.79	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-1.7	-170.8	-69.5	162.1	175.6	0	0	113.3	P13	P13-E15 PolarHBondContact O-N 3.11Å
16	L	32.9	Very low	33.5	Very low	133 Å²	133	109 Å²	109	70%	0.696	52%	0.523	S	S	*	.			trans	-111.8	22.3	-170.9	-111.6	143.3	0	0	0	115.8	P13	P13-L16 HydrophobicContact CG-CB 4.29Å; P13-L16 HydrophobicContact CG-CD1 3.65Å; P13-L16 PolarHBondContact O-N 3.06Å
17	T	34.2	Very low	33.8	Very low	40 Å²	40	101.2 Å²	101.2	25%	0.245	50%	0.5	C	S	.	.			trans	-104.7	11.9	-164.5	44.6	0	0	0	0	117.5	L19 L21 Y40	T17-L19 VanDerWaalsContact C-N 3.34Å; T17-L19 PolarHBondContact O-N 3.37Å; T17-L21 HydrophobicContact CG2-CD1 4.5Å; T17-Y40 WeakPolarHBondContact CG2-OH 3.46Å
18	E	33.7	Very low	33.6	Very low	188 Å²	188	102.7 Å²	102.7	88%	0.879	51%	0.506	S	S	*	.	S	Bend	trans	-79.2	-5.8	179	-72.9	-163.8	163.4	0	0	115.5
19	L	33	Very low	33.9	Very low	165 Å²	165	107.5 Å²	107.5	86%	0.864	52%	0.522	S	S	*	.	S	Bend	trans	-115.9	-1.4	-170.7	-95.4	145.6	0	0	0	117.9	T17	T17-L19 VanDerWaalsContact C-N 3.34Å; T17-L19 PolarHBondContact O-N 3.37Å
20	T	30.2	Very low	34	Very low	89 Å²	89	103.4 Å²	103.4	55%	0.546	51%	0.51	S	S	.	.	S	Bend	trans	-147.6	13.4	-178.7	45.2	0	0	0	0	117	L22	T20-L22 PolarHBondContact O-N 2.85Å; T20-L22 VanDerWaalsContact O-N 3.14Å
21	L	34.2	Very low	34.1	Very low	47 Å²	47	107.8 Å²	107.8	25%	0.246	54%	0.535	C	S	.	.			trans	-86.9	85.2	178.8	-120	153.9	0	0	0	111.2	T17 L38	T17-L21 HydrophobicContact CG2-CD1 4.5Å; L21-L38 HydrophobicContact CD1-CD2 4.39Å; L21-L38 HydrophobicContact CD2-CD2 4.39Å; L21-L38 HydrophobicContact CD2-CG 4.27Å
22	L	34.1	Very low	34.4	Very low	124 Å²	124	106.3 Å²	106.3	65%	0.649	54%	0.538	S	S	*	.			trans	-91.8	116.4	174.6	-85.4	154.4	0	0	0	110.3	T20	T20-L22 PolarHBondContact O-N 2.85Å; T20-L22 VanDerWaalsContact O-N 3.14Å
23	R	30.5	Very low	34.2	Very low	189 Å²	189	106.6 Å²	106.6	71%	0.713	54%	0.541	S	S	*	.			trans	79.9	109.9	161.6	-130.7	175.7	-166.1	179.7	3.3	116.6	W116	R23-W116 HydrophobicContact CB-CH2 4.37Å; R23-W116 VanDerWaalsContact O-CH2 3.25Å; R23-W116 WeakPolarHBondContact O-CH2 3.49Å; R23-W116 WeakPolarHBondContact O-CZ3 3.43Å
24	N	32.6	Very low	34.5	Very low	60 Å²	60	106.8 Å²	106.8	32%	0.321	54%	0.539	S	S	.	.			trans	-91.1	122.8	155.7	-83	-16.3	0	0	0	108.3	S37	N24-S37 PolarHBondContact OD1-O 2.77Å
25	Q	33.3	Very low	34.4	Very low	120 Å²	120	106.5 Å²	106.5	56%	0.561	53%	0.534	S	S	*	.			trans	-103.5	125	161.6	-90.5	-174.8	-25.5	0	0	108.6	S27 S37	Q25-S27 PolarHBondContact O-N 3.21Å; Q25-S37 PolarHBondContact O-OG 2.76Å
26	K	35.2	Very low	34.6	Very low	111 Å²	111	101 Å²	101	48%	0.483	51%	0.506	S	S	.	.			trans	-83.7	99.5	167.4	-153.7	179.1	-174.1	-174	0	106.7	D34 Y36	K26-D34 WeakPolarHBondContact CE-OD2 3.06Å; K26-D34 IonicContact NZ-OD1 2.88Å; K26-D34 IonicContact NZ-OD2 2.76Å; K26-D34 PolarHBondContact NZ-OD2 3.25Å; K26-Y36 WeakPolarHBondContact CE-OH 3.35Å; K26-Y36 HydrophobicContact CG-CE1 4.49Å; K26-Y36 PolarHBondContact NZ-OH 3.5Å
27	S	34.8	Very low	34.9	Very low	42 Å²	42	95.5 Å²	95.5	29%	0.294	48%	0.479	S	S	.	.			trans	-90.4	109.4	172.8	54.6	0	0	0	0	109.1	Q25 F29	Q25-S27 PolarHBondContact O-N 3.21Å; S27-F29 VanDerWaalsContact C-N 3.33Å; S27-F29 PolarHBondContact O-N 3.3Å; S27-F29 VanDerWaalsContact O-N 3.08Å
28	K	29.3	Very low	35.2	Very low	151 Å²	151	95 Å²	95	66%	0.657	48%	0.475	S	S	*	.			trans	-73.4	90.6	163.5	-91.5	-176.9	172.8	-179.2	0	107.3
29	F	36.6	Very low	35.4	Very low	159 Å²	159	86.2 Å²	86.2	70%	0.697	43%	0.434	S	S	*	.			trans	-87	-13.9	174.4	-105.3	-79.1	0	0	0	113.3	S27	S27-F29 VanDerWaalsContact C-N 3.33Å; S27-F29 PolarHBondContact O-N 3.3Å; S27-F29 VanDerWaalsContact O-N 3.08Å
30	S	34.2	Very low	35.9	Very low	46 Å²	46	80.2 Å²	80.2	32%	0.322	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-154.2	154.9	170.8	87.9	0	0	0	0	110.6	T32 T33	S30-T32 PolarHBondContact O-N 3.46Å; S30-T32 PolarHBondContact OG-N 2.77Å; S30-T32 PolarHBondContact OG-OG1 3.06Å; S30-T33 PolarHBondContact OG-N 3.33Å; S30-T33 PolarHBondContact OG-OG1 3.4Å
31	N	35.7	Very low	36.6	Very low	171 Å²	171	80.8 Å²	80.8	91%	0.914	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-0	178.4	-84.5	-16.6	0	0	0	114.4
32	T	41.3	Very low	37.4	Very low	113 Å²	113	82.2 Å²	82.2	69%	0.693	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	-7.5	-171.4	54	0	0	0	0	115	S30	S30-T32 PolarHBondContact O-N 3.46Å; S30-T32 PolarHBondContact OG-N 2.77Å; S30-T32 PolarHBondContact OG-OG1 3.06Å
33	T	33.1	Very low	38	Very low	32 Å²	32	79.4 Å²	79.4	20%	0.196	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-133.9	121.7	-172.8	52.7	0	0	0	0	113.5	S30 F35	S30-T33 PolarHBondContact OG-N 3.33Å; S30-T33 PolarHBondContact OG-OG1 3.4Å; T33-F35 PolarHBondContact O-N 3.11Å; T33-F35 VanDerWaalsContact OG1-CE2 3.24Å; T33-F35 WeakPolarHBondContact OG1-CE2 2.89Å
34	D	39.8	Very low	38.7	Very low	61 Å²	61	78.9 Å²	78.9	33%	0.326	40%	0.397	S	S	.	.			trans	-88.1	99.8	173.4	-95.3	7.3	0	0	0	109	K26 Y36	K26-D34 WeakPolarHBondContact CE-OD2 3.06Å; K26-D34 IonicContact NZ-OD1 2.88Å; K26-D34 IonicContact NZ-OD2 2.76Å; K26-D34 PolarHBondContact NZ-OD2 3.25Å; D34-Y36 HydrophobicContact CB-CE2 4.09Å
35	F	36.8	Very low	39.1	Very low	27 Å²	27	81.7 Å²	81.7	12%	0.118	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.9	171.3	-72.2	-82.5	0	0	0	110.9	T33 D120	T33-F35 PolarHBondContact O-N 3.11Å; T33-F35 VanDerWaalsContact OG1-CE2 3.24Å; T33-F35 WeakPolarHBondContact OG1-CE2 2.89Å; F35-D120 HydrophobicContact CE1-CB 4.15Å
36	Y	41.8	Very low	39.1	Very low	53 Å²	53	84.3 Å²	84.3	21%	0.208	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.1	170.7	-65.9	-87.7	0	0	0	108.9	K26 D34 S118 L119 M121 F140	K26-Y36 WeakPolarHBondContact CE-OH 3.35Å; K26-Y36 HydrophobicContact CG-CE1 4.49Å; K26-Y36 PolarHBondContact NZ-OH 3.5Å; D34-Y36 HydrophobicContact CB-CE2 4.09Å; Y36-S118 WeakPolarHBondContact O-CA 3.38Å; Y36-L119 PolarHBondContact O-N 2.87Å; Y36-L119 VanDerWaalsContact O-N 3.16Å; Y36-M121 HydrophobicContact CD2-CB 4.36Å; Y36-M121 HydrophobicContact CD2-CG 3.4Å; Y36-M121 HydrophobicContact CE2-CB 4.42Å; Y36-M121 HydrophobicContact CE2-CG 3.8Å; Y36-M121 HydrophobicContact CG-CG 4.47Å; Y36-F140 HydrophobicContact CD1-CE1 4.39Å; Y36-F140 AromaticContact CD1-CZ 3.93Å; Y36-F140 HydrophobicContact CD1-CZ 3.93Å; Y36-F140 AromaticContact CE1-CE1 3.58Å; Y36-F140 HydrophobicContact CE1-CE1 3.58Å; Y36-F140 AromaticContact CE1-CZ 3.36Å; Y36-F140 HydrophobicContact CE1-CZ 3.36Å; Y36-F140 AromaticContact CZ-CZ 3.99Å
37	S	37.7	Very low	39.1	Very low	18 Å²	18	82 Å²	82	13%	0.126	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.7	-179.5	63.1	0	0	0	0	110.3	N24 Q25 W116 I117	N24-S37 PolarHBondContact OD1-O 2.77Å; Q25-S37 PolarHBondContact O-OG 2.76Å; S37-W116 WeakPolarHBondContact OG-CZ3 3.45Å; S37-I117 WeakPolarHBondContact CA-O 3.32Å
38	L	42.4	Very low	38.9	Very low	30 Å²	30	86 Å²	86	16%	0.157	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.5	172.9	-130.3	109.1	0	0	0	109.2	L21 Y40 W116 I117 Y136	L21-L38 HydrophobicContact CD1-CD2 4.39Å; L21-L38 HydrophobicContact CD2-CD2 4.39Å; L21-L38 HydrophobicContact CD2-CG 4.27Å; L38-Y40 HydrophobicContact CD2-CD2 4.18Å; L38-Y40 HydrophobicContact CD2-CE2 3.61Å; L38-W116 WeakPolarHBondContact O-CA 3.34Å; L38-I117 PolarHBondContact N-O 3.35Å; L38-I117 PolarHBondContact O-N 3.31Å; L38-Y136 HydrophobicContact CD1-CE1 4.4Å; L38-Y136 HydrophobicContact CD1-CE2 4.37Å
39	G	38	Very low	39	Very low	3 Å²	3	87 Å²	87	3%	0.031	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.3	176.2	0	0	0	0	0	111.9	I115	G39-I115 WeakPolarHBondContact CA-O 3.47Å
40	Y	42.4	Very low	38.8	Very low	39 Å²	39	84.1 Å²	84.1	15%	0.153	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.2	171.6	-96.7	-85.6	0	0	0	111	I12 T17 L38 Y114 I115	I12-Y40 HydrophobicContact CD1-CD1 4.17Å; I12-Y40 HydrophobicContact CD1-CE1 3.62Å; I12-Y40 HydrophobicContact CD1-CE2 4.4Å; T17-Y40 WeakPolarHBondContact CG2-OH 3.46Å; L38-Y40 HydrophobicContact CD2-CD2 4.18Å; L38-Y40 HydrophobicContact CD2-CE2 3.61Å; Y40-Y114 WeakPolarHBondContact O-CA 3.28Å; Y40-I115 PolarHBondContact N-O 3.01Å; Y40-I115 PolarHBondContact O-N 3.3Å
41	K	45.5	Very low	38.9	Very low	101 Å²	101	87.4 Å²	87.4	44%	0.439	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.9	168.7	-171.5	173.1	-179.5	174.3	0	109.2	Y114	K41-Y114 HydrophobicContact CB-CD1 4.28Å; K41-Y114 HydrophobicContact CB-CE1 4.09Å; K41-Y114 HydrophobicContact CG-CE1 4.39Å
42	I	51.1	Low	39	Very low	77 Å²	77	85.3 Å²	85.3	40%	0.395	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-71.9	127.5	173.8	-56.2	175	0	0	0	107.6	E44 S113 I115	I42-E44 PolarHBondContact O-N 3.4Å; I42-S113 PolarHBondContact N-O 3.5Å; I42-I115 HydrophobicContact CD1-CD1 3.67Å; I42-I115 HydrophobicContact CD1-CG1 4.03Å; I42-I115 HydrophobicContact CG1-CD1 3.82Å; I42-I115 HydrophobicContact CG1-CG1 4.28Å
43	P	46.2	Very low	38.9	Very low	64 Å²	64	83.5 Å²	83.5	42%	0.416	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-59.7	131.2	175.3	-17.2	28.6	0	0	0	110.1	M10 I45	M10-P43 HydrophobicContact CE-CG 3.91Å; P43-I45 HydrophobicContact CB-CD1 4.14Å; P43-I45 HydrophobicContact CB-CG1 4.11Å; P43-I45 PolarHBondContact O-N 3.11Å
44	E	45.2	Very low	39	Very low	179 Å²	179	82.5 Å²	82.5	84%	0.836	44%	0.44	S	S	*	.			trans	-67.9	76	167.8	-73.7	174.3	-177.8	0	0	109.2	I42	I42-E44 PolarHBondContact O-N 3.4Å
45	I	41.5	Very low	39.1	Very low	119 Å²	119	81.9 Å²	81.9	61%	0.61	44%	0.438	S	S	*	.			trans	-122.6	129.9	168	-55.1	174.3	0	0	0	104.8	P43	P43-I45 HydrophobicContact CB-CD1 4.14Å; P43-I45 HydrophobicContact CB-CG1 4.11Å; P43-I45 PolarHBondContact O-N 3.11Å
46	Y	33.2	Very low	39.3	Very low	175 Å²	175	81.1 Å²	81.1	69%	0.686	44%	0.436	S	S	*	.	S	Bend	trans	93.9	90.4	-174	-55.2	-71.3	0	0	0	114.7
47	G	33.6	Very low	39.4	Very low	62 Å²	62	79.1 Å²	79.1	64%	0.639	43%	0.429	S	S	*	.			trans	-57.6	141	162	0	0	0	0	0	112.1	Q49	G47-Q49 PolarHBondContact O-N 2.96Å
48	S	30.8	Very low	39.7	Very low	125 Å²	125	79.5 Å²	79.5	87%	0.874	43%	0.429	S	S	*	.	S	Bend	trans	44.5	15.5	145.6	70.1	0	0	0	0	121.3
49	Q	33.2	Very low	39.9	Very low	174 Å²	174	79.9 Å²	79.9	81%	0.813	43%	0.431	S	S	*	.			trans	-119.2	70.6	164.5	-71.5	-166.9	-12.1	0	0	110	G47	G47-Q49 PolarHBondContact O-N 2.96Å
50	S	32.2	Very low	39.9	Very low	98 Å²	98	80.9 Å²	80.9	69%	0.685	44%	0.442	S	S	*	.			trans	-66.5	129.3	166.8	52.4	0	0	0	0	110
51	N	35.5	Very low	39.9	Very low	114 Å²	114	82.1 Å²	82.1	61%	0.61	45%	0.448	S	S	*	.	S	Bend	trans	152.2	-2.9	144.2	-74.4	3.3	0	0	0	114.2
52	N	38.5	Very low	39.5	Very low	128 Å²	128	86.4 Å²	86.4	68%	0.684	46%	0.463	S	S	*	.			trans	-141.5	27.4	-171.6	-86.9	-36.3	0	0	0	116.9
53	I	37.7	Very low	38.8	Very low	75 Å²	75	86.3 Å²	86.3	39%	0.385	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.6	-175.7	-53.9	175.5	0	0	0	110.5	T8 V55	T8-I53 WeakPolarHBondContact OG1-CG2 3.35Å; I53-V55 HydrophobicContact CG2-CG2 4.13Å
54	E	36.8	Very low	38.4	Very low	11 Å²	11	88.3 Å²	88.3	5%	0.051	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.2	166.6	-82.1	-173.1	161	0	0	109.2	K5 R6 K7 T8 K78	K5-E54 HydrophobicContact CD-CG 4.25Å; R6-E54 PolarHBondContact O-N 2.84Å; K7-E54 WeakPolarHBondContact CE-OE2 3.22Å; K7-E54 HydrophobicContact CG-CB 4.37Å; K7-E54 WeakPolarHBondContact CG-OE2 3.45Å; T8-E54 PolarHBondContact N-O 3.26Å; T8-E54 PolarHBondContact OG1-O 3.43Å; E54-K78 WeakPolarHBondContact OE1-CE 3.22Å; E54-K78 IonicContact OE1-NZ 3.85Å; E54-K78 PolarHBondContact OE1-NZ 3.47Å
55	V	41	Very low	37.9	Very low	47 Å²	47	88.7 Å²	88.7	29%	0.285	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.6	171.7	-176.2	0	0	0	0	108.7	I53 I79	I53-V55 HydrophobicContact CG2-CG2 4.13Å; V55-I79 PolarHBondContact O-N 3.46Å
56	V	42	Very low	37.7	Very low	12 Å²	12	85.6 Å²	85.6	7%	0.073	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.5	176.7	-177.7	0	0	0	0	108.6	T8 F9 M10 I58 C76	T8-V56 PolarHBondContact O-N 3.41Å; F9-V56 HydrophobicContact CD1-CB 4.15Å; F9-V56 HydrophobicContact CD1-CG1 4.26Å; F9-V56 HydrophobicContact CE1-CB 4.46Å; F9-V56 HydrophobicContact CE1-CG1 4.46Å; M10-V56 PolarHBondContact N-O 3.15Å; M10-V56 VanDerWaalsContact N-O 3.13Å; V56-I58 HydrophobicContact CG1-CG1 4.17Å; V56-C76 WeakPolarHBondContact CG1-SG 3.27Å
57	L	42.1	Very low	37.7	Very low	10 Å²	10	87.9 Å²	87.9	5%	0.052	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.7	175.9	-108.5	140.8	0	0	0	109.2	I12 C76 V77 I79 I115	I12-L57 HydrophobicContact CD1-CD2 3.78Å; L57-C76 WeakPolarHBondContact O-CA 3.47Å; L57-V77 HydrophobicContact CB-CB 4.21Å; L57-V77 PolarHBondContact N-O 3.42Å; L57-V77 VanDerWaalsContact N-O 3.16Å; L57-V77 PolarHBondContact O-N 3.46Å; L57-V77 VanDerWaalsContact O-N 3.09Å; L57-I79 HydrophobicContact CD1-CD1 4.24Å; L57-I115 HydrophobicContact CD1-CD1 4.04Å
58	I	45.9	Very low	37.8	Very low	26 Å²	26	92.1 Å²	92.1	13%	0.133	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	105.4	176	-58.2	174.8	0	0	0	108.4	F9 M10 F11 V56	F9-I58 HydrophobicContact CD1-CD1 4.21Å; M10-I58 PolarHBondContact O-N 3.29Å; F11-I58 HydrophobicContact CD2-CD1 4.12Å; F11-I58 HydrophobicContact CE1-CG2 4.17Å; F11-I58 HydrophobicContact CE2-CD1 3.59Å; F11-I58 HydrophobicContact CE2-CG2 4.49Å; F11-I58 HydrophobicContact CZ-CD1 4.09Å; F11-I58 HydrophobicContact CZ-CG2 4.05Å; V56-I58 HydrophobicContact CG1-CG1 4.17Å
59	L	45	Very low	37.8	Very low	38 Å²	38	94.7 Å²	94.7	20%	0.199	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.6	171.5	-70.9	166.1	0	0	0	108.9	Y74 C75 I117	L59-Y74 WeakPolarHBondContact O-CA 3.31Å; L59-C75 HydrophobicContact CB-CB 4.45Å; L59-C75 PolarHBondContact N-O 3.42Å; L59-C75 VanDerWaalsContact N-O 3.1Å; L59-C75 PolarHBondContact O-N 3Å; L59-I117 HydrophobicContact CD1-CD1 3.96Å
60	G	38.3	Very low	37.9	Very low	25 Å²	25	90.5 Å²	90.5	26%	0.258	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.9	173.7	0	0	0	0	0	111.6
61	F	42.5	Very low	38.1	Very low	64 Å²	64	90.1 Å²	90.1	28%	0.281	46%	0.458	S	S	.	.			trans	-96.9	114.6	172.8	-62.8	-84.1	0	0	0	110.2	C72 P73 L128 I132	F61-C72 WeakPolarHBondContact O-CB 3.37Å; F61-C72 PolarHBondContact O-SG 2.86Å; F61-P73 HydrophobicContact CB-CG 4.28Å; F61-P73 HydrophobicContact CD2-CG 4.33Å; F61-L128 HydrophobicContact CB-CD1 4.36Å; F61-L128 HydrophobicContact CD1-CD2 3.99Å; F61-L128 HydrophobicContact CD2-CD2 4.27Å; F61-L128 HydrophobicContact CE1-CD2 4.1Å; F61-L128 HydrophobicContact CE2-CD2 4.37Å; F61-L128 HydrophobicContact CG-CD1 4.42Å; F61-L128 HydrophobicContact CG-CD2 4.07Å; F61-L128 HydrophobicContact CZ-CD2 4.29Å; F61-I132 HydrophobicContact CD1-CG1 4.46Å; F61-I132 HydrophobicContact CE1-CD1 3.81Å; F61-I132 HydrophobicContact CE1-CG1 4.01Å; F61-I132 HydrophobicContact CZ-CD1 4.32Å
62	Y	37	Very low	38.2	Very low	191 Å²	191	86 Å²	86	75%	0.749	44%	0.439	S	S	*	.			trans	-76.6	127.8	173.1	-95.8	-93.5	0	0	0	111.1
63	D	36	Very low	38.2	Very low	76 Å²	76	82.1 Å²	82.1	41%	0.406	42%	0.42	S	S	.	.			trans	-91.2	113.7	166.7	-173.2	5.6	0	0	0	109.1	F65	D63-F65 VanDerWaalsContact C-N 3.31Å; D63-F65 PolarHBondContact O-N 3.15Å; D63-F65 PolarHBondContact OD1-N 3.33Å
64	S	38	Very low	38.3	Very low	105 Å²	105	84.5 Å²	84.5	73%	0.734	43%	0.425	S	S	*	.	S	Bend	trans	-80.9	-6.4	-177.7	63.9	0	0	0	0	113.8
65	F	35.3	Very low	38.5	Very low	188 Å²	188	84.7 Å²	84.7	83%	0.825	43%	0.428	S	S	*	.	S	Bend	trans	-115.4	1.3	-169.2	-81.9	-80.3	0	0	0	116.1	D63	D63-F65 VanDerWaalsContact C-N 3.31Å; D63-F65 PolarHBondContact O-N 3.15Å; D63-F65 PolarHBondContact OD1-N 3.33Å
66	S	36.3	Very low	38.1	Very low	54 Å²	54	84.4 Å²	84.4	38%	0.378	43%	0.427	S	S	.	.			trans	-91.4	113.4	177	173.9	0	0	0	0	112.6	K68	S66-K68 PolarHBondContact O-N 3.44Å; S66-K68 PolarHBondContact OG-N 3.46Å; S66-K68 PolarHBondContact OG-O 3.13Å
67	K	35	Very low	38	Very low	222 Å²	222	84 Å²	84	97%	0.965	43%	0.425	S	S	*	.	S	Bend	trans	-64.7	1.1	167.6	-92.6	180	177.2	175.6	0	114.3
68	K	34.5	Very low	37.8	Very low	151 Å²	151	86.4 Å²	86.4	66%	0.657	44%	0.435	S	S	*	.	S	Bend	trans	-117.6	131.4	174.3	-73.8	-179.5	176.1	177.6	0	108.8	S66 E70	S66-K68 PolarHBondContact O-N 3.44Å; S66-K68 PolarHBondContact OG-N 3.46Å; S66-K68 PolarHBondContact OG-O 3.13Å; K68-E70 HydrophobicContact CB-CG 4.09Å; K68-E70 PolarHBondContact O-N 2.94Å
69	N	32.2	Very low	37.6	Very low	179 Å²	179	86.7 Å²	86.7	96%	0.957	44%	0.436	S	S	*	.			trans	-60.2	63.9	170.8	-72.1	-13	0	0	0	111.6
70	E	33.3	Very low	37.3	Very low	87 Å²	87	87.3 Å²	87.3	41%	0.407	44%	0.438	S	S	.	.			trans	-91.6	124.6	174.8	-65.7	-158.4	174.9	0	0	109.4	K68 C72 K94	K68-E70 HydrophobicContact CB-CG 4.09Å; K68-E70 PolarHBondContact O-N 2.94Å; E70-C72 PolarHBondContact O-N 2.84Å; E70-K94 IonicContact OE1-NZ 3.43Å; E70-K94 PolarHBondContact OE1-NZ 2.99Å; E70-K94 IonicContact OE2-NZ 3.41Å; E70-K94 PolarHBondContact OE2-NZ 3.45Å
71	V	36.4	Very low	37.5	Very low	89 Å²	89	89.4 Å²	89.4	54%	0.539	45%	0.449	S	S	.	.			trans	-44.6	114.7	178.2	175.8	0	0	0	0	110.7	Y74 L92	V71-Y74 HydrophobicContact CG1-CE2 3.51Å; V71-Y74 VanDerWaalsContact CG1-CZ 3.48Å; V71-Y74 WeakPolarHBondContact CG1-OH 3.37Å; V71-L92 HydrophobicContact CG1-CD1 4.02Å
72	C	37.6	Very low	37.4	Very low	29 Å²	29	92.7 Å²	92.7	20%	0.196	47%	0.469	C	S	.	.			trans	-59.9	148.4	176	-68.5	0	0	0	0	111.8	F61 E70 Y74	F61-C72 WeakPolarHBondContact O-CB 3.37Å; F61-C72 PolarHBondContact O-SG 2.86Å; E70-C72 PolarHBondContact O-N 2.84Å; C72-Y74 WeakPolarHBondContact O-CD1 3.46Å; C72-Y74 VanDerWaalsContact O-CE1 3.28Å; C72-Y74 WeakPolarHBondContact O-CE1 3.45Å; C72-Y74 PolarHBondContact O-N 3.32Å
73	P	40.4	Very low	37.3	Very low	46 Å²	46	90.1 Å²	90.1	30%	0.299	46%	0.464	S	S	.	.			trans	-66.4	128.1	174.9	26.3	-30.2	0	0	0	110	F61 L128	F61-P73 HydrophobicContact CB-CG 4.28Å; F61-P73 HydrophobicContact CD2-CG 4.33Å; P73-L128 HydrophobicContact CG-CD1 3.66Å
74	Y	38.9	Very low	37.4	Very low	124 Å²	124	93.5 Å²	93.5	49%	0.486	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.6	172.7	-31.4	-73.4	0	0	0	109.1	L59 V71 C72	L59-Y74 WeakPolarHBondContact O-CA 3.31Å; V71-Y74 HydrophobicContact CG1-CE2 3.51Å; V71-Y74 VanDerWaalsContact CG1-CZ 3.48Å; V71-Y74 WeakPolarHBondContact CG1-OH 3.37Å; C72-Y74 WeakPolarHBondContact O-CD1 3.46Å; C72-Y74 VanDerWaalsContact O-CE1 3.28Å; C72-Y74 WeakPolarHBondContact O-CE1 3.45Å; C72-Y74 PolarHBondContact O-N 3.32Å
75	C	40.1	Very low	37.2	Very low	16 Å²	16	91 Å²	91	11%	0.108	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.6	162.6	-154	0	0	0	0	109.2	L59 I102	L59-C75 HydrophobicContact CB-CB 4.45Å; L59-C75 PolarHBondContact N-O 3.42Å; L59-C75 VanDerWaalsContact N-O 3.1Å; L59-C75 PolarHBondContact O-N 3Å; C75-I102 HydrophobicContact CB-CD1 4.46Å; C75-I102 WeakPolarHBondContact SG-CD1 3.01Å
76	C	33.2	Very low	37.3	Very low	40 Å²	40	87.9 Å²	87.9	27%	0.27	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.8	179	-173.1	0	0	0	0	108.5	V56 L57 C88	V56-C76 WeakPolarHBondContact CG1-SG 3.27Å; L57-C76 WeakPolarHBondContact O-CA 3.47Å; C76-C88 WeakPolarHBondContact CB-O 3.33Å; C76-C88 CarbonylContact O-C 3.43Å; C76-C88 PolarHBondContact O-N 3.2Å
77	V	40.8	Very low	37.4	Very low	4 Å²	4	86.8 Å²	86.8	2%	0.024	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.9	172.3	-176.8	0	0	0	0	107.5	L57 I79 L85	L57-V77 HydrophobicContact CB-CB 4.21Å; L57-V77 PolarHBondContact N-O 3.42Å; L57-V77 VanDerWaalsContact N-O 3.16Å; L57-V77 PolarHBondContact O-N 3.46Å; L57-V77 VanDerWaalsContact O-N 3.09Å; V77-I79 HydrophobicContact CG1-CG1 4.28Å; V77-L85 HydrophobicContact CG1-CD2 3.63Å
78	K	36.3	Very low	37.4	Very low	60 Å²	60	79.2 Å²	79.2	26%	0.261	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.4	177.4	-156.8	-171.6	-175.6	-138.2	0	108.2	E54 Q80 H86	E54-K78 WeakPolarHBondContact OE1-CE 3.22Å; E54-K78 IonicContact OE1-NZ 3.85Å; E54-K78 PolarHBondContact OE1-NZ 3.47Å; K78-Q80 VanDerWaalsContact NZ-OE1 3.09Å; K78-H86 HydrophobicContact CB-CB 4.4Å; K78-H86 VanDerWaalsContact CB-O 3.28Å; K78-H86 WeakPolarHBondContact CB-O 3.34Å; K78-H86 PolarHBondContact N-O 3.06Å; K78-H86 PolarHBondContact O-N 2.91Å
79	I	42.3	Very low	37.5	Very low	32 Å²	32	73.1 Å²	73.1	16%	0.164	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.2	173.7	-54.2	174.4	0	0	0	106.7	V55 L57 V77 I115	V55-I79 PolarHBondContact O-N 3.46Å; L57-I79 HydrophobicContact CD1-CD1 4.24Å; V77-I79 HydrophobicContact CG1-CG1 4.28Å; I79-I115 HydrophobicContact CD1-CD1 3.46Å; I79-I115 VanDerWaalsContact CD1-CD1 3.46Å; I79-I115 HydrophobicContact CD1-CG1 4.36Å
80	Q	39.2	Very low	37.8	Very low	51 Å²	51	73.1 Å²	73.1	24%	0.238	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.2	174.2	-151.8	165.2	-48.2	0	0	106.8	K78 D82	K78-Q80 VanDerWaalsContact NZ-OE1 3.09Å; Q80-D82 PolarHBondContact O-N 3.39Å
81	S	41.8	Very low	37.8	Very low	69 Å²	69	72.4 Å²	72.4	48%	0.483	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.6	-165.3	54.5	0	0	0	0	115.7
82	D	40.1	Very low	37.6	Very low	133 Å²	133	72.2 Å²	72.2	71%	0.711	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.8	6.4	-169.6	-63.6	-67.9	0	0	0	114.6	Q80	Q80-D82 PolarHBondContact O-N 3.39Å
83	E	35.9	Very low	37.4	Very low	137 Å²	137	81.4 Å²	81.4	64%	0.64	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.9	-176.5	-68.3	-178.3	156.8	0	0	111.5
84	N	37.4	Very low	37.3	Very low	148 Å²	148	85.9 Å²	85.9	79%	0.791	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-22.3	127	178.5	-67.3	-37	0	0	0	114.9	H86	N84-H86 PolarHBondContact O-CD2 3.46Å; N84-H86 PolarHBondContact O-N 3.04Å
85	L	33.9	Very low	37.2	Very low	53 Å²	53	86.5 Å²	86.5	28%	0.277	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	112.7	-179.6	-130.1	111.3	0	0	0	110.6	V77 V87 T104 Y106	V77-L85 HydrophobicContact CG1-CD2 3.63Å; L85-V87 PolarHBondContact O-N 3.48Å; L85-T104 HydrophobicContact CD2-CG2 3.74Å; L85-Y106 HydrophobicContact CD1-CD2 4.31Å; L85-Y106 HydrophobicContact CD1-CE2 3.84Å
86	H	38.3	Very low	36.9	Very low	121 Å²	121	96 Å²	96	56%	0.56	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	99.9	179.1	-94.8	-67.9	0	0	0	109.7	K78 N84 C88	K78-H86 HydrophobicContact CB-CB 4.4Å; K78-H86 VanDerWaalsContact CB-O 3.28Å; K78-H86 WeakPolarHBondContact CB-O 3.34Å; K78-H86 PolarHBondContact N-O 3.06Å; K78-H86 PolarHBondContact O-N 2.91Å; N84-H86 PolarHBondContact O-CD2 3.46Å; N84-H86 PolarHBondContact O-N 3.04Å; H86-C88 PolarHBondContact O-N 3.33Å
87	V	38	Very low	37.3	Very low	31 Å²	31	96.6 Å²	96.6	19%	0.188	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	108.4	169.1	-177.2	0	0	0	0	108.9	L85 I102 T104	L85-V87 PolarHBondContact O-N 3.48Å; V87-I102 HydrophobicContact CG1-CD1 4.48Å; V87-T104 HydrophobicContact CG2-CG2 4.16Å
88	C	34.7	Very low	37.6	Very low	63 Å²	63	101.8 Å²	101.8	43%	0.426	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	79	173.3	-108.9	0	0	0	0	109.2	C76 H86 Q90	C76-C88 WeakPolarHBondContact CB-O 3.33Å; C76-C88 CarbonylContact O-C 3.43Å; C76-C88 PolarHBondContact O-N 3.2Å; H86-C88 PolarHBondContact O-N 3.33Å; C88-Q90 PolarHBondContact O-N 2.84Å
89	A	37.6	Very low	37.8	Very low	23 Å²	23	107 Å²	107	19%	0.19	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	112.6	166.2	0	0	0	0	0	109.1	S91 R99	A89-S91 PolarHBondContact O-N 3.41Å; A89-R99 HydrophobicContact CB-CG 4.3Å
90	Q	37	Very low	38.1	Very low	180 Å²	180	108.4 Å²	108.4	84%	0.841	54%	0.535	S	S	*	.			trans	-89.1	95.7	171.9	-159.4	156.3	3.5	0	0	107.9	C88 L92	C88-Q90 PolarHBondContact O-N 2.84Å; Q90-L92 PolarHBondContact O-N 3.07Å
91	S	34.9	Very low	38.4	Very low	71 Å²	71	106.3 Å²	106.3	50%	0.497	53%	0.527	S	S	.	.			trans	-67.2	115.1	179.2	69.9	0	0	0	0	109.6	A89 K93	A89-S91 PolarHBondContact O-N 3.41Å; S91-K93 PolarHBondContact O-N 3.3Å
92	L	30.2	Very low	38.7	Very low	86 Å²	86	104.3 Å²	104.3	45%	0.45	51%	0.51	S	S	.	.			trans	-64	117	160.8	-83.9	159.9	0	0	0	107.2	V71 Q90 K94 Y95	V71-L92 HydrophobicContact CG1-CD1 4.02Å; Q90-L92 PolarHBondContact O-N 3.07Å; L92-K94 PolarHBondContact O-N 3.3Å; L92-Y95 PolarHBondContact O-N 3.13Å
93	K	34.2	Very low	38.7	Very low	221 Å²	221	102.2 Å²	102.2	96%	0.961	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.9	-16.7	175.6	-106.8	179.2	176.6	178.2	0	115.3	S91	S91-K93 PolarHBondContact O-N 3.3Å
94	K	38.1	Very low	38.9	Very low	140 Å²	140	97.9 Å²	97.9	61%	0.609	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-24.3	-177.8	-138.3	179.4	177.3	-167.6	0	113.8	E70 L92	E70-K94 IonicContact OE1-NZ 3.43Å; E70-K94 PolarHBondContact OE1-NZ 2.99Å; E70-K94 IonicContact OE2-NZ 3.41Å; E70-K94 PolarHBondContact OE2-NZ 3.45Å; L92-K94 PolarHBondContact O-N 3.3Å
95	Y	36.6	Very low	38.8	Very low	138 Å²	138	96.9 Å²	96.9	54%	0.541	47%	0.465	S	S	.	.	S	Bend	trans	-128.8	115.5	174.5	-64.6	-80.1	0	0	0	107.5	L92 F97	L92-Y95 PolarHBondContact O-N 3.13Å; Y95-F97 PolarHBondContact O-N 2.94Å
96	K	33.9	Very low	38.6	Very low	215 Å²	215	103.6 Å²	103.6	94%	0.935	49%	0.488	S	S	*	.			trans	-62.1	72.5	177	-77.2	-178.1	173.3	-178.4	0	111	D98	K96-D98 PolarHBondContact O-N 2.93Å
97	F	42.3	Very low	38.3	Very low	52 Å²	52	101.6 Å²	101.6	23%	0.228	49%	0.486	C	S	.	.			trans	-87	98.4	174.4	-126.8	-82.6	0	0	0	107.1	Y95 P125	Y95-F97 PolarHBondContact O-N 2.94Å; F97-P125 HydrophobicContact CD2-CG 4.46Å; F97-P125 HydrophobicContact CE2-CG 4.05Å
98	D	46.4	Very low	38	Very low	113 Å²	113	107.7 Å²	107.7	60%	0.604	52%	0.516	S	S	*	.			trans	-75.7	142.2	177.1	-98.9	-24.5	0	0	0	111	K96 S100 C101	K96-D98 PolarHBondContact O-N 2.93Å; D98-S100 PolarHBondContact O-N 3.34Å; D98-C101 PolarHBondContact O-N 2.91Å; D98-C101 PolarHBondContact O-SG 3.29Å
99	R	41.5	Very low	37.6	Very low	169 Å²	169	113.2 Å²	113.2	64%	0.638	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-56.5	-20.9	174.7	-92.7	-179.6	172.3	179.4	-5	113.5	A89 C101	A89-R99 HydrophobicContact CB-CG 4.3Å; R99-C101 PolarHBondContact O-N 3.44Å
100	S	47.8	Very low	37.3	Very low	62 Å²	62	117.2 Å²	117.2	43%	0.434	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-75.2	2.3	-176.2	73.2	0	0	0	0	114.7	D98 K123	D98-S100 PolarHBondContact O-N 3.34Å; S100-K123 PolarHBondContact O-NZ 3.25Å; S100-K123 PolarHBondContact OG-NZ 3.37Å; S100-K123 VanDerWaalsContact OG-NZ 3.12Å
101	C	46.8	Very low	37.3	Very low	8 Å²	8	117.1 Å²	117.1	5%	0.054	57%	0.568	C	S	.	*	G	3₁₀ helix	trans	-90.9	-5.6	-176.6	-55.2	0	0	0	0	114.3	D98 R99 D120 K123	D98-C101 PolarHBondContact O-N 2.91Å; D98-C101 PolarHBondContact O-SG 3.29Å; R99-C101 PolarHBondContact O-N 3.44Å; C101-D120 PolarHBondContact O-N 2.99Å; C101-K123 HydrophobicContact CB-CB 4.25Å; C101-K123 WeakPolarHBondContact SG-CB 3.48Å
102	I	47.8	Very low	37.4	Very low	26 Å²	26	118.9 Å²	118.9	13%	0.133	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.3	115	-174.6	-56.5	174.3	0	0	0	108.1	C75 V87 T104 I117 L119	C75-I102 HydrophobicContact CB-CD1 4.46Å; C75-I102 WeakPolarHBondContact SG-CD1 3.01Å; V87-I102 HydrophobicContact CG1-CD1 4.48Å; I102-T104 HydrophobicContact CG2-CG2 4.38Å; I102-I117 HydrophobicContact CG2-CG2 4.37Å; I102-L119 HydrophobicContact CG1-CD2 4.27Å
103	E	40.7	Very low	38.1	Very low	89 Å²	89	117.8 Å²	117.8	42%	0.416	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.7	127.7	169.7	-74.6	-179.1	162.1	0	0	108.5	Y105 S118	E103-Y105 HydrophobicContact CB-CE2 3.89Å; E103-Y105 PolarHBondContact OE2-OH 3.47Å; E103-S118 WeakPolarHBondContact CB-OG 3.29Å; E103-S118 PolarHBondContact N-O 3.41Å; E103-S118 WeakPolarHBondContact O-CB 3.47Å; E103-S118 PolarHBondContact O-N 2.97Å; E103-S118 VanDerWaalsContact O-N 3.13Å; E103-S118 PolarHBondContact O-OG 3.45Å
104	T	38.6	Very low	38.5	Very low	47 Å²	47	110.4 Å²	110.4	29%	0.288	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125	176.9	50.3	0	0	0	0	108.5	L85 V87 I102	L85-T104 HydrophobicContact CD2-CG2 3.74Å; V87-T104 HydrophobicContact CG2-CG2 4.16Å; I102-T104 HydrophobicContact CG2-CG2 4.38Å
105	Y	36.3	Very low	38.8	Very low	126 Å²	126	105.4 Å²	105.4	49%	0.494	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136	177.2	-65.5	-81.5	0	0	0	110.2	E103	E103-Y105 HydrophobicContact CB-CE2 3.89Å; E103-Y105 PolarHBondContact OE2-OH 3.47Å
106	Y	29	Very low	39.2	Very low	195 Å²	195	101.2 Å²	101.2	77%	0.765	50%	0.498	S	S	*	.			trans	-88.2	120.7	164.5	-111.9	-85.7	0	0	0	108.1	L85	L85-Y106 HydrophobicContact CD1-CD2 4.31Å; L85-Y106 HydrophobicContact CD1-CE2 3.84Å
107	P	32.2	Very low	39.9	Very low	78 Å²	78	91.6 Å²	91.6	51%	0.506	46%	0.456	S	S	.	.			trans	-94.6	130.8	154.6	12	6.3	0	0	0	109.2
108	L	31.4	Very low	40	Very low	159 Å²	159	89.5 Å²	89.5	83%	0.832	45%	0.448	S	S	*	.			trans	-18	135.8	165.6	-143.1	78.7	0	0	0	115.2	T110	L108-T110 PolarHBondContact O-N 2.73Å
109	L	26.5	Very low	40.2	Very low	179 Å²	179	85.7 Å²	85.7	94%	0.937	43%	0.427	S	S	*	.			trans	-39.2	101.8	172.2	-91.1	85.2	0	0	0	111.7
110	T	31.3	Very low	40.8	Very low	108 Å²	108	78.3 Å²	78.3	66%	0.663	40%	0.4	S	S	*	.			trans	-116.6	146.4	152.3	54.4	0	0	0	0	106.1	L108 E112	L108-T110 PolarHBondContact O-N 2.73Å; T110-E112 PolarHBondContact O-N 2.94Å
111	N	36.1	Very low	40.9	Very low	178 Å²	178	75.9 Å²	75.9	95%	0.952	38%	0.382	S	S	*	.	S	Bend	trans	-52.8	10.6	-167.2	-73.4	-15.8	0	0	0	118
112	E	37.1	Very low	41.2	Very low	108 Å²	108	79.9 Å²	79.9	51%	0.505	40%	0.403	S	S	.	.	S	Bend	trans	-126.8	113.5	179.7	-59.3	-172.8	156.7	0	0	108.7	T110 Y114	T110-E112 PolarHBondContact O-N 2.94Å; E112-Y114 HydrophobicContact CB-CD2 3.76Å; E112-Y114 HydrophobicContact CB-CE2 3.14Å; E112-Y114 HydrophobicContact CG-CE2 4.14Å; E112-Y114 VanDerWaalsContact O-CD2 3.23Å; E112-Y114 WeakPolarHBondContact O-CD2 3.38Å; E112-Y114 PolarHBondContact O-N 3.36Å; E112-Y114 WeakPolarHBondContact OE2-CE2 3.21Å; E112-Y114 VanDerWaalsContact OE2-CZ 3.23Å; E112-Y114 PolarHBondContact OE2-OH 3.41Å
113	S	45.2	Very low	41.4	Very low	62 Å²	62	83.4 Å²	83.4	43%	0.434	42%	0.418	S	S	.	.			trans	-72.1	84.2	-176.8	36.6	0	0	0	0	111.7	I42	I42-S113 PolarHBondContact N-O 3.5Å
114	Y	42	Very low	42	Very low	67 Å²	67	79.9 Å²	79.9	26%	0.263	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.2	174.8	-60.9	-69.3	0	0	0	112.4	Y40 K41 E112	Y40-Y114 WeakPolarHBondContact O-CA 3.28Å; K41-Y114 HydrophobicContact CB-CD1 4.28Å; K41-Y114 HydrophobicContact CB-CE1 4.09Å; K41-Y114 HydrophobicContact CG-CE1 4.39Å; E112-Y114 HydrophobicContact CB-CD2 3.76Å; E112-Y114 HydrophobicContact CB-CE2 3.14Å; E112-Y114 HydrophobicContact CG-CE2 4.14Å; E112-Y114 VanDerWaalsContact O-CD2 3.23Å; E112-Y114 WeakPolarHBondContact O-CD2 3.38Å; E112-Y114 PolarHBondContact O-N 3.36Å; E112-Y114 WeakPolarHBondContact OE2-CE2 3.21Å; E112-Y114 VanDerWaalsContact OE2-CZ 3.23Å; E112-Y114 PolarHBondContact OE2-OH 3.41Å
115	I	44.9	Very low	42.5	Very low	34 Å²	34	80.1 Å²	80.1	17%	0.174	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124	165.9	-62.7	162.1	0	0	0	108.1	G39 Y40 I42 L57 I79 I117	G39-I115 WeakPolarHBondContact CA-O 3.47Å; Y40-I115 PolarHBondContact N-O 3.01Å; Y40-I115 PolarHBondContact O-N 3.3Å; I42-I115 HydrophobicContact CD1-CD1 3.67Å; I42-I115 HydrophobicContact CD1-CG1 4.03Å; I42-I115 HydrophobicContact CG1-CD1 3.82Å; I42-I115 HydrophobicContact CG1-CG1 4.28Å; L57-I115 HydrophobicContact CD1-CD1 4.04Å; I79-I115 HydrophobicContact CD1-CD1 3.46Å; I79-I115 VanDerWaalsContact CD1-CD1 3.46Å; I79-I115 HydrophobicContact CD1-CG1 4.36Å; I115-I117 HydrophobicContact CG2-CG1 4.3Å
116	W	45	Very low	43	Very low	51 Å²	51	78.6 Å²	78.6	19%	0.193	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.5	174.7	-68.3	94.3	0	0	0	110.7	R23 S37 L38	R23-W116 HydrophobicContact CB-CH2 4.37Å; R23-W116 VanDerWaalsContact O-CH2 3.25Å; R23-W116 WeakPolarHBondContact O-CH2 3.49Å; R23-W116 WeakPolarHBondContact O-CZ3 3.43Å; S37-W116 WeakPolarHBondContact OG-CZ3 3.45Å; L38-W116 WeakPolarHBondContact O-CA 3.34Å
117	I	49.4	Very low	43.6	Very low	13 Å²	13	74.9 Å²	74.9	7%	0.067	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.5	173	-55.8	175.7	0	0	0	107.8	S37 L38 L59 I102 I115	S37-I117 WeakPolarHBondContact CA-O 3.32Å; L38-I117 PolarHBondContact N-O 3.35Å; L38-I117 PolarHBondContact O-N 3.31Å; L59-I117 HydrophobicContact CD1-CD1 3.96Å; I102-I117 HydrophobicContact CG2-CG2 4.37Å; I115-I117 HydrophobicContact CG2-CG1 4.3Å
118	S	44.3	Very low	44.3	Very low	7 Å²	7	72.7 Å²	72.7	5%	0.049	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.3	172.1	80.9	0	0	0	0	110.3	Y36 E103	Y36-S118 WeakPolarHBondContact O-CA 3.38Å; E103-S118 WeakPolarHBondContact CB-OG 3.29Å; E103-S118 PolarHBondContact N-O 3.41Å; E103-S118 WeakPolarHBondContact O-CB 3.47Å; E103-S118 PolarHBondContact O-N 2.97Å; E103-S118 VanDerWaalsContact O-N 3.13Å; E103-S118 PolarHBondContact O-OG 3.45Å
119	L	49.9	Very low	45.2	Very low	34 Å²	34	68.1 Å²	68.1	18%	0.178	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.6	177.5	-76.5	160	0	0	0	109.4	Y36 I102 M121 L124	Y36-L119 PolarHBondContact O-N 2.87Å; Y36-L119 VanDerWaalsContact O-N 3.16Å; I102-L119 HydrophobicContact CG1-CD2 4.27Å; L119-M121 PolarHBondContact O-N 3.03Å; L119-M121 VanDerWaalsContact O-N 3.14Å; L119-L124 HydrophobicContact CD2-CD1 4.37Å
120	D	53.9	Low	46	Very low	13 Å²	13	62.7 Å²	62.7	7%	0.07	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	99.3	171	-176.4	-5	0	0	0	109.5	F35 C101 N122 K123	F35-D120 HydrophobicContact CE1-CB 4.15Å; C101-D120 PolarHBondContact O-N 2.99Å; D120-N122 PolarHBondContact O-N 3.46Å; D120-N122 WeakPolarHBondContact OD1-CB 3.3Å; D120-N122 PolarHBondContact OD1-N 3.39Å; D120-K123 PolarHBondContact O-N 3.31Å; D120-K123 WeakPolarHBondContact OD2-CD 3.44Å; D120-K123 WeakPolarHBondContact OD2-CE 3.48Å; D120-K123 WeakPolarHBondContact OD2-CG 3.16Å; D120-K123 IonicContact OD2-NZ 3.88Å
121	M	51	Low	46.4	Very low	12 Å²	12	59.6 Å²	59.6	6%	0.059	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.8	-178.7	-71.1	-66.9	-91.9	0	0	113.2	Y36 L119 L124 K129 I132 L133	Y36-M121 HydrophobicContact CD2-CB 4.36Å; Y36-M121 HydrophobicContact CD2-CG 3.4Å; Y36-M121 HydrophobicContact CE2-CB 4.42Å; Y36-M121 HydrophobicContact CE2-CG 3.8Å; Y36-M121 HydrophobicContact CG-CG 4.47Å; L119-M121 PolarHBondContact O-N 3.03Å; L119-M121 VanDerWaalsContact O-N 3.14Å; M121-L124 HydrophobicContact SD-CD1 4.34Å; M121-K129 HydrophobicContact CE-CG 4.15Å; M121-K129 WeakPolarHBondContact O-CD 3.47Å; M121-K129 WeakPolarHBondContact O-CE 3.42Å; M121-K129 PolarHBondContact O-NZ 3.22Å; M121-I132 HydrophobicContact CE-CG2 4.01Å; M121-I132 HydrophobicContact SD-CG2 4.42Å; M121-L133 HydrophobicContact CE-CD1 3.88Å; M121-L133 HydrophobicContact CE-CG 3.91Å
122	N	52.7	Low	46.8	Very low	92 Å²	92	52.1 Å²	52.1	49%	0.492	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-20	178.1	-69.5	-19.6	0	0	0	112.5	D120	D120-N122 PolarHBondContact O-N 3.46Å; D120-N122 WeakPolarHBondContact OD1-CB 3.3Å; D120-N122 PolarHBondContact OD1-N 3.39Å
123	K	52.5	Low	47.2	Very low	100 Å²	100	49.9 Å²	49.9	44%	0.435	27%	0.272	S	S	.	.	S	Bend	trans	-99.6	-2.9	178.6	-63.9	179.5	-173.8	175	0	114.7	S100 C101 D120	S100-K123 PolarHBondContact O-NZ 3.25Å; S100-K123 PolarHBondContact OG-NZ 3.37Å; S100-K123 VanDerWaalsContact OG-NZ 3.12Å; C101-K123 HydrophobicContact CB-CB 4.25Å; C101-K123 WeakPolarHBondContact SG-CB 3.48Å; D120-K123 PolarHBondContact O-N 3.31Å; D120-K123 WeakPolarHBondContact OD2-CD 3.44Å; D120-K123 WeakPolarHBondContact OD2-CE 3.48Å; D120-K123 WeakPolarHBondContact OD2-CG 3.16Å; D120-K123 IonicContact OD2-NZ 3.88Å
124	L	51.9	Low	47	Very low	15 Å²	15	53.1 Å²	53.1	8%	0.079	28%	0.282	C	S	.	.	S	Bend	trans	-77.6	141.2	179.2	-106	109.8	0	0	0	112.8	L119 M121 S126 L128 K129 I132	L119-L124 HydrophobicContact CD2-CD1 4.37Å; M121-L124 HydrophobicContact SD-CD1 4.34Å; L124-S126 PolarHBondContact O-N 3.08Å; L124-L128 HydrophobicContact CD2-CB 3.97Å; L124-L128 HydrophobicContact CD2-CD2 3.23Å; L124-L128 HydrophobicContact CD2-CG 4.18Å; L124-K129 HydrophobicContact CB-CB 4.37Å; L124-I132 HydrophobicContact CD2-CD1 3.73Å
125	P	49.4	Very low	46.9	Very low	52 Å²	52	55.4 Å²	55.4	34%	0.338	29%	0.293	S	S	.	.			trans	-55	138.8	170.3	-21.3	31	0	0	0	111.1	F97 L127 L128 K129	F97-P125 HydrophobicContact CD2-CG 4.46Å; F97-P125 HydrophobicContact CE2-CG 4.05Å; P125-L127 PolarHBondContact O-N 3.19Å; P125-L128 PolarHBondContact O-N 3.4Å; P125-K129 PolarHBondContact O-N 3.29Å
126	S	47.9	Very low	46.7	Very low	94 Å²	94	56.2 Å²	56.2	66%	0.657	29%	0.294	S	S	*	.	H	α-helix	trans	-52.7	-36.2	-174.5	56.9	0	0	0	0	113.6	L124 H130	L124-S126 PolarHBondContact O-N 3.08Å; S126-H130 WeakPolarHBondContact O-CB 3.21Å; S126-H130 PolarHBondContact O-N 3.47Å
127	L	41.2	Very low	46.4	Very low	116 Å²	116	56.8 Å²	56.8	61%	0.607	31%	0.306	S	S	*	.	H	α-helix	trans	-66.4	-40	179	-137	116.9	0	0	0	112.6	P125 H130 G131	P125-L127 PolarHBondContact O-N 3.19Å; L127-H130 WeakPolarHBondContact O-CB 3.47Å; L127-H130 PolarHBondContact O-N 3.46Å; L127-G131 PolarHBondContact O-N 3.36Å
128	L	47.3	Very low	45.5	Very low	32 Å²	32	66 Å²	66	17%	0.168	34%	0.34	C	S	.	.	H	α-helix	trans	-83.2	-33.2	-177.5	-150.4	143.1	0	0	0	110.7	F61 P73 L124 P125 H130 G131 I132	F61-L128 HydrophobicContact CB-CD1 4.36Å; F61-L128 HydrophobicContact CD1-CD2 3.99Å; F61-L128 HydrophobicContact CD2-CD2 4.27Å; F61-L128 HydrophobicContact CE1-CD2 4.1Å; F61-L128 HydrophobicContact CE2-CD2 4.37Å; F61-L128 HydrophobicContact CG-CD1 4.42Å; F61-L128 HydrophobicContact CG-CD2 4.07Å; F61-L128 HydrophobicContact CZ-CD2 4.29Å; P73-L128 HydrophobicContact CG-CD1 3.66Å; L124-L128 HydrophobicContact CD2-CB 3.97Å; L124-L128 HydrophobicContact CD2-CD2 3.23Å; L124-L128 HydrophobicContact CD2-CG 4.18Å; P125-L128 PolarHBondContact O-N 3.4Å; L128-H130 PolarHBondContact O-N 3.49Å; L128-G131 PolarHBondContact O-N 3.39Å; L128-I132 HydrophobicContact CD2-CD1 3.74Å; L128-I132 HydrophobicContact CD2-CG1 4.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.19Å; L128-I132 PolarHBondContact O-N 3.14Å
129	K	48.8	Very low	45	Very low	64 Å²	64	69.6 Å²	69.6	28%	0.278	36%	0.358	S	S	.	.	H	α-helix	trans	-55.8	-41.1	163.5	-166.7	168.8	-175.2	164.1	0	110.7	M121 L124 P125 L133	M121-K129 HydrophobicContact CE-CG 4.15Å; M121-K129 WeakPolarHBondContact O-CD 3.47Å; M121-K129 WeakPolarHBondContact O-CE 3.42Å; M121-K129 PolarHBondContact O-NZ 3.22Å; L124-K129 HydrophobicContact CB-CB 4.37Å; P125-K129 PolarHBondContact O-N 3.29Å; K129-L133 HydrophobicContact CG-CD1 3.86Å; K129-L133 VanDerWaalsContact O-CB 3.31Å; K129-L133 WeakPolarHBondContact O-CB 3.36Å; K129-L133 PolarHBondContact O-N 2.71Å
130	H	43.4	Very low	44.1	Very low	64 Å²	64	72.5 Å²	72.5	30%	0.296	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-49.4	174.9	-133.6	103.9	0	0	0	112.6	S126 L127 L128 L133 M134 W160	S126-H130 WeakPolarHBondContact O-CB 3.21Å; S126-H130 PolarHBondContact O-N 3.47Å; L127-H130 WeakPolarHBondContact O-CB 3.47Å; L127-H130 PolarHBondContact O-N 3.46Å; L128-H130 PolarHBondContact O-N 3.49Å; H130-L133 PolarHBondContact O-N 3.47Å; H130-M134 WeakPolarHBondContact O-CB 3.44Å; H130-M134 PolarHBondContact O-N 3.07Å; H130-W160 AromaticContact CE1-CH2 3.19Å; H130-W160 WeakPolarHBondContact CE1-CH2 3.29Å; H130-W160 AromaticContact CE1-CZ3 3.13Å; H130-W160 WeakPolarHBondContact CE1-CZ3 3.46Å; H130-W160 AromaticContact ND1-CH2 3.39Å; H130-W160 WeakPolarHBondContact ND1-CH2 3.29Å; H130-W160 AromaticContact ND1-CZ3 3.3Å; H130-W160 VanDerWaalsContact ND1-CZ3 3.3Å; H130-W160 WeakPolarHBondContact ND1-CZ3 3.32Å; H130-W160 AromaticContact NE2-CH2 3.75Å
131	G	40.8	Very low	43	Very low	43 Å²	43	76.1 Å²	76.1	44%	0.443	40%	0.396	S	S	.	.	H	α-helix	trans	-63.7	-42.5	-179.8	0	0	0	0	0	112.9	L127 L128 K135	L127-G131 PolarHBondContact O-N 3.36Å; L128-G131 PolarHBondContact O-N 3.39Å; G131-K135 VanDerWaalsContact O-CB 3.22Å; G131-K135 WeakPolarHBondContact O-CB 3.26Å; G131-K135 PolarHBondContact O-N 3.39Å; G131-K135 VanDerWaalsContact O-N 3.14Å
132	I	45.3	Very low	42.1	Very low	21 Å²	21	80.1 Å²	80.1	11%	0.108	43%	0.425	C	S	.	.	H	α-helix	trans	-65.5	-50.6	175.7	-66.7	176	0	0	0	110.1	F61 M121 L124 L128 M134 K135 Y136	F61-I132 HydrophobicContact CD1-CG1 4.46Å; F61-I132 HydrophobicContact CE1-CD1 3.81Å; F61-I132 HydrophobicContact CE1-CG1 4.01Å; F61-I132 HydrophobicContact CZ-CD1 4.32Å; M121-I132 HydrophobicContact CE-CG2 4.01Å; M121-I132 HydrophobicContact SD-CG2 4.42Å; L124-I132 HydrophobicContact CD2-CD1 3.73Å; L128-I132 HydrophobicContact CD2-CD1 3.74Å; L128-I132 HydrophobicContact CD2-CG1 4.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.19Å; L128-I132 PolarHBondContact O-N 3.14Å; I132-M134 PolarHBondContact O-N 3.26Å; I132-K135 PolarHBondContact O-N 3.23Å; I132-Y136 HydrophobicContact CG2-CD2 3.65Å; I132-Y136 HydrophobicContact CG2-CE2 3.97Å; I132-Y136 WeakPolarHBondContact O-CB 3.1Å; I132-Y136 WeakPolarHBondContact O-CD2 3.37Å; I132-Y136 PolarHBondContact O-N 3.23Å
133	L	45.1	Very low	40.9	Very low	61 Å²	61	83.8 Å²	83.8	32%	0.319	44%	0.44	S	S	.	.	H	α-helix	trans	-66.5	-38.4	-178.6	-89.3	151.3	0	0	0	113.5	M121 K129 H130 S137 F140	M121-L133 HydrophobicContact CE-CD1 3.88Å; M121-L133 HydrophobicContact CE-CG 3.91Å; K129-L133 HydrophobicContact CG-CD1 3.86Å; K129-L133 VanDerWaalsContact O-CB 3.31Å; K129-L133 WeakPolarHBondContact O-CB 3.36Å; K129-L133 PolarHBondContact O-N 2.71Å; H130-L133 PolarHBondContact O-N 3.47Å; L133-S137 WeakPolarHBondContact O-CA 3.48Å; L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.33Å; L133-S137 PolarHBondContact O-N 2.94Å; L133-F140 HydrophobicContact CD2-CE2 4.26Å
134	M	39.5	Very low	39.7	Very low	131 Å²	131	86.5 Å²	86.5	65%	0.645	45%	0.451	S	S	*	.	H	α-helix	trans	-62.5	-45.6	174.5	-93	-161.3	170.5	0	0	111	H130 I132 S137	H130-M134 WeakPolarHBondContact O-CB 3.44Å; H130-M134 PolarHBondContact O-N 3.07Å; I132-M134 PolarHBondContact O-N 3.26Å; M134-S137 PolarHBondContact O-N 3.18Å; M134-S137 PolarHBondContact O-OG 3Å
135	K	40.2	Very low	38.4	Very low	114 Å²	114	93.4 Å²	93.4	50%	0.496	49%	0.488	S	S	.	.	H	α-helix	trans	-69.6	-34.7	-176.3	-161	164.5	-177.9	169.2	0	112.5	S14 G131 I132	S14-K135 VanDerWaalsContact CB-NZ 3.25Å; S14-K135 WeakPolarHBondContact O-CE 3.34Å; S14-K135 PolarHBondContact O-NZ 2.71Å; S14-K135 PolarHBondContact OG-NZ 3.39Å; G131-K135 VanDerWaalsContact O-CB 3.22Å; G131-K135 WeakPolarHBondContact O-CB 3.26Å; G131-K135 PolarHBondContact O-N 3.39Å; G131-K135 VanDerWaalsContact O-N 3.14Å; I132-K135 PolarHBondContact O-N 3.23Å
136	Y	40.9	Very low	37.4	Very low	51 Å²	51	97.7 Å²	97.7	20%	0.2	51%	0.513	C	S	.	.	H	α-helix	trans	-94.9	-0.1	177.3	-65	-68.8	0	0	0	114.4	L38 I132 R138 L139 F140	L38-Y136 HydrophobicContact CD1-CE1 4.4Å; L38-Y136 HydrophobicContact CD1-CE2 4.37Å; I132-Y136 HydrophobicContact CG2-CD2 3.65Å; I132-Y136 HydrophobicContact CG2-CE2 3.97Å; I132-Y136 WeakPolarHBondContact O-CB 3.1Å; I132-Y136 WeakPolarHBondContact O-CD2 3.37Å; I132-Y136 PolarHBondContact O-N 3.23Å; Y136-R138 PolarHBondContact O-N 3.44Å; Y136-L139 HydrophobicContact CD1-CD1 3.66Å; Y136-L139 HydrophobicContact CE1-CD1 4.27Å; Y136-L139 WeakPolarHBondContact O-CA 3.35Å; Y136-L139 WeakPolarHBondContact O-CB 3.45Å; Y136-L139 PolarHBondContact O-N 3.18Å; Y136-F140 VanDerWaalsContact O-CD2 3.28Å; Y136-F140 WeakPolarHBondContact O-CD2 3.3Å; Y136-F140 PolarHBondContact O-N 3.46Å
137	S	38.5	Very low	36.3	Very low	64 Å²	64	98.9 Å²	98.9	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-56.6	-34.9	178.7	63.7	0	0	0	0	113	L133 M134 L139 F140	L133-S137 WeakPolarHBondContact O-CA 3.48Å; L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.33Å; L133-S137 PolarHBondContact O-N 2.94Å; M134-S137 PolarHBondContact O-N 3.18Å; M134-S137 PolarHBondContact O-OG 3Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.44Å; S137-F140 PolarHBondContact O-N 3.41Å
138	R	30.5	Very low	35.6	Very low	207 Å²	207	98.4 Å²	98.4	78%	0.781	53%	0.526	S	S	*	.	H	α-helix	trans	-66.1	-24.3	174.3	-77.3	-176.3	170.2	178.5	-3.2	113.9	Y136 S141	Y136-R138 PolarHBondContact O-N 3.44Å; R138-S141 PolarHBondContact O-OG 3.24Å
139	L	33.8	Very low	34.6	Very low	82 Å²	82	107.3 Å²	107.3	43%	0.429	56%	0.559	S	S	.	*	H	α-helix	trans	-83.7	-25.1	176	-86	146.9	0	0	0	112	Y136 S137 S141 S142	Y136-L139 HydrophobicContact CD1-CD1 3.66Å; Y136-L139 HydrophobicContact CE1-CD1 4.27Å; Y136-L139 WeakPolarHBondContact O-CA 3.35Å; Y136-L139 WeakPolarHBondContact O-CB 3.45Å; Y136-L139 PolarHBondContact O-N 3.18Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.44Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 2.95Å; L139-S142 PolarHBondContact O-N 2.91Å
140	F	32.3	Very low	33.5	Very low	94 Å²	94	111 Å²	111	41%	0.412	58%	0.581	S	S	.	*	H	α-helix	trans	-70.8	-21.1	173.9	-77.6	-75.6	0	0	0	113.6	Y36 L133 Y136 S137 S142	Y36-F140 HydrophobicContact CD1-CE1 4.39Å; Y36-F140 AromaticContact CD1-CZ 3.93Å; Y36-F140 HydrophobicContact CD1-CZ 3.93Å; Y36-F140 AromaticContact CE1-CE1 3.58Å; Y36-F140 HydrophobicContact CE1-CE1 3.58Å; Y36-F140 AromaticContact CE1-CZ 3.36Å; Y36-F140 HydrophobicContact CE1-CZ 3.36Å; Y36-F140 AromaticContact CZ-CZ 3.99Å; L133-F140 HydrophobicContact CD2-CE2 4.26Å; Y136-F140 VanDerWaalsContact O-CD2 3.28Å; Y136-F140 WeakPolarHBondContact O-CD2 3.3Å; Y136-F140 PolarHBondContact O-N 3.46Å; S137-F140 PolarHBondContact O-N 3.41Å; F140-S142 VanDerWaalsContact C-N 3.3Å; F140-S142 PolarHBondContact O-N 3.34Å
141	S	30.4	Very low	32.6	Very low	89 Å²	89	116.2 Å²	116.2	62%	0.622	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-4.6	175.6	41.4	0	0	0	0	114.9	R138 L139	R138-S141 PolarHBondContact O-OG 3.24Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 2.95Å
142	S	31.1	Very low	32.1	Very low	97 Å²	97	123 Å²	123	68%	0.678	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-9.6	-173.6	179.2	0	0	0	0	114.9	L139 F140 K144	L139-S142 PolarHBondContact O-N 2.91Å; F140-S142 VanDerWaalsContact C-N 3.3Å; F140-S142 PolarHBondContact O-N 3.34Å; S142-K144 VanDerWaalsContact C-N 3.29Å; S142-K144 PolarHBondContact O-N 3.48Å
143	Q	28.1	Very low	31.3	Very low	169 Å²	169	128.6 Å²	128.6	79%	0.79	66%	0.661	S	S	*	*			trans	-83.2	71.3	172.7	-83.2	-176.2	-22.8	0	0	111.9
144	K	27.1	Very low	30.6	Very low	157 Å²	157	134.2 Å²	134.2	68%	0.683	68%	0.683	S	S	*	*			trans	-124.9	79.6	159.6	-90.2	-177.9	175.3	176.4	0	107.3	S142 D186	S142-K144 VanDerWaalsContact C-N 3.29Å; S142-K144 PolarHBondContact O-N 3.48Å; K144-D186 IonicContact NZ-OD2 3.96Å
145	N	25.3	Very low	30.3	Very low	160 Å²	160	136 Å²	136	86%	0.856	69%	0.69	S	S	*	*			trans	-173.2	62.2	159.9	-96.8	-11.8	0	0	0	109.8
146	T	27.8	Very low	30	Very low	141 Å²	141	135 Å²	135	87%	0.865	70%	0.698	S	S	*	*			trans	-152.9	124	155.4	39.2	0	0	0	0	108.4
147	C	25.3	Very low	29.8	Very low	120 Å²	120	135.4 Å²	135.4	81%	0.811	71%	0.707	S	S	*	*			trans	-55.3	145	177.3	-92.6	0	0	0	0	113.1
148	C	25.2	Very low	29.8	Very low	105 Å²	105	138 Å²	138	71%	0.709	72%	0.716	S	S	*	*			trans	74.9	131.7	146.7	-61.2	0	0	0	0	119.7
149	Y	26.5	Very low	30	Very low	220 Å²	220	137.3 Å²	137.3	86%	0.863	71%	0.714	S	S	*	*			trans	81.8	132.7	162	-67.7	-79	0	0	0	119.8
150	D	26.3	Very low	30.3	Very low	141 Å²	141	139 Å²	139	75%	0.754	71%	0.714	S	S	*	*			trans	85	66.9	165.1	-56.1	-14.1	0	0	0	119.7	Q152	D150-Q152 VanDerWaalsContact C-N 3.31Å; D150-Q152 PolarHBondContact O-N 2.94Å
151	N	25.5	Very low	30.3	Very low	173 Å²	173	137.3 Å²	137.3	93%	0.925	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	81.6	151.6	-76.4	-33.8	0	0	0	111
152	Q	30.3	Very low	30.4	Very low	187 Å²	187	141.2 Å²	141.2	87%	0.874	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.7	-5.2	161.4	-110	174.7	10.8	0	0	114.2	D150	D150-Q152 VanDerWaalsContact C-N 3.31Å; D150-Q152 PolarHBondContact O-N 2.94Å
153	L	28.5	Very low	30.8	Very low	137 Å²	137	141.1 Å²	141.1	72%	0.717	71%	0.711	S	S	*	*	S	Bend	trans	-98.1	-3.8	-169.7	-135.2	88.6	0	0	0	116
154	F	29.6	Very low	31	Very low	180 Å²	180	139.9 Å²	139.9	79%	0.789	71%	0.707	S	S	*	*	S	Bend	trans	-96.6	3.6	-167.3	-121.9	-89.8	0	0	0	116
155	E	32.5	Very low	31.4	Very low	168 Å²	168	134.7 Å²	134.7	79%	0.785	69%	0.686	S	S	*	*	S	Bend	trans	-90.9	-10	-174.9	-99.8	179.8	165.8	0	0	115.6
156	S	33.6	Very low	31.9	Very low	94 Å²	94	135.6 Å²	135.6	66%	0.657	68%	0.682	S	S	*	*	S	Bend	trans	-93.5	-24.8	-173.9	59	0	0	0	0	114.5	N158	S156-N158 PolarHBondContact O-N 3.09Å
157	S	37.7	Very low	32.5	Very low	58 Å²	58	138.9 Å²	138.9	41%	0.406	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	-10.9	-171.6	60.8	0	0	0	0	115.4	W160	S157-W160 PolarHBondContact O-NE1 3Å; S157-W160 VanDerWaalsContact O-NE1 3.1Å
158	N	38.5	Very low	33.2	Very low	119 Å²	119	141.6 Å²	141.6	64%	0.636	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-10.6	-177.8	-72.1	-20.2	0	0	0	114	S156 W160	S156-N158 PolarHBondContact O-N 3.09Å; N158-W160 PolarHBondContact O-N 3.28Å
159	R	33.7	Very low	33.9	Very low	192 Å²	192	142.9 Å²	142.9	73%	0.725	68%	0.679	S	S	*	*	H	α-helix	trans	-73.2	-24.2	-174.3	-132.9	-179.3	-79.2	-175.2	-4.5	113.8
160	W	41.7	Very low	34.6	Very low	117 Å²	117	133.9 Å²	133.9	44%	0.443	65%	0.653	S	S	.	*	H	α-helix	trans	-80.2	-33.2	-176.3	77.3	-78.7	0	0	0	113.4	H130 S157 N158 Y162 S163 M164	H130-W160 AromaticContact CE1-CH2 3.19Å; H130-W160 WeakPolarHBondContact CE1-CH2 3.29Å; H130-W160 AromaticContact CE1-CZ3 3.13Å; H130-W160 WeakPolarHBondContact CE1-CZ3 3.46Å; H130-W160 AromaticContact ND1-CH2 3.39Å; H130-W160 WeakPolarHBondContact ND1-CH2 3.29Å; H130-W160 AromaticContact ND1-CZ3 3.3Å; H130-W160 VanDerWaalsContact ND1-CZ3 3.3Å; H130-W160 WeakPolarHBondContact ND1-CZ3 3.32Å; H130-W160 AromaticContact NE2-CH2 3.75Å; S157-W160 PolarHBondContact O-NE1 3Å; S157-W160 VanDerWaalsContact O-NE1 3.1Å; N158-W160 PolarHBondContact O-N 3.28Å; W160-Y162 PolarHBondContact O-N 2.93Å; W160-S163 PolarHBondContact O-N 3.08Å; W160-S163 VanDerWaalsContact O-N 3.09Å; W160-M164 PolarHBondContact O-N 3.22Å
161	L	32.6	Very low	35.4	Very low	59 Å²	59	130.7 Å²	130.7	31%	0.309	63%	0.634	S	S	.	*	H	α-helix	trans	-65.6	-31.4	175.9	-146.6	129.4	0	0	0	110.8	S163 M165 L178	L161-S163 VanDerWaalsContact C-N 3.34Å; L161-M165 HydrophobicContact CD2-SD 4.23Å; L161-L178 HydrophobicContact CD2-CD1 3.69Å
162	Y	32.3	Very low	36.3	Very low	172 Å²	172	124.6 Å²	124.6	68%	0.675	60%	0.604	S	S	*	*	H	α-helix	trans	-68.8	-28.4	173.4	-141.5	-90	0	0	0	113.4	W160	W160-Y162 PolarHBondContact O-N 2.93Å
163	S	39.5	Very low	36.9	Very low	94 Å²	94	120.5 Å²	120.5	66%	0.657	59%	0.588	S	S	*	*	H	α-helix	trans	-84	-27.3	-179.3	-173.2	0	0	0	0	113.7	W160 L161	W160-S163 PolarHBondContact O-N 3.08Å; W160-S163 VanDerWaalsContact O-N 3.09Å; L161-S163 VanDerWaalsContact C-N 3.34Å
164	M	31.3	Very low	37.6	Very low	143 Å²	143	115.9 Å²	115.9	70%	0.704	57%	0.567	S	S	*	*	H	α-helix	trans	-82.7	-24	-175.3	-108	-71.4	174.8	0	0	113.4	W160 K166	W160-M164 PolarHBondContact O-N 3.22Å; M164-K166 VanDerWaalsContact C-N 3.35Å; M164-K166 PolarHBondContact O-N 3.33Å
165	M	35	Very low	38.3	Very low	48 Å²	48	109.9 Å²	109.9	24%	0.236	55%	0.545	C	S	.	.			trans	-96.5	29.1	-170.4	-67.8	-166.5	66.4	0	0	114.6	L161 Y167 G170 Q171 C174	L161-M165 HydrophobicContact CD2-SD 4.23Å; M165-Y167 PolarHBondContact O-N 2.96Å; M165-G170 WeakPolarHBondContact CE-O 3.48Å; M165-Q171 HydrophobicContact CB-CG 4.33Å; M165-C174 HydrophobicContact CE-CB 3.65Å; M165-C174 HydrophobicContact SD-CB 3.82Å
166	K	35.7	Very low	38.9	Very low	180 Å²	180	104 Å²	104	78%	0.783	52%	0.519	S	S	*	.			trans	-71.2	11.4	-177.4	-145.6	175.7	-179.4	-179.1	0	114.5	M164	M164-K166 VanDerWaalsContact C-N 3.35Å; M164-K166 PolarHBondContact O-N 3.33Å
167	Y	41.4	Very low	39.5	Very low	210 Å²	210	103.4 Å²	103.4	82%	0.824	51%	0.507	S	S	*	.	S	Bend	trans	-115.2	88.8	176.7	-79.3	-81.9	0	0	0	112.5	M165 I169	M165-Y167 PolarHBondContact O-N 2.96Å; Y167-I169 PolarHBondContact O-N 3.49Å
168	E	39	Very low	39.9	Very low	177 Å²	177	104.8 Å²	104.8	83%	0.827	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	-22.8	148.8	-64	-167	151.4	0	0	125.7
169	I	40.6	Very low	40.2	Very low	132 Å²	132	102 Å²	102	68%	0.677	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.6	-24.5	176.6	-62.8	178.1	0	0	0	114	Y167 Q171	Y167-I169 PolarHBondContact O-N 3.49Å; I169-Q171 VanDerWaalsContact C-N 3.31Å; I169-Q171 PolarHBondContact O-N 3.44Å
170	G	41.8	Very low	40.6	Very low	30 Å²	30	94.5 Å²	94.5	31%	0.309	47%	0.467	S	S	.	.	H	α-helix	trans	-68.3	-24.9	-173.8	0	0	0	0	0	115	M165 S172 L173 C174	M165-G170 WeakPolarHBondContact CE-O 3.48Å; G170-S172 PolarHBondContact O-N 3.04Å; G170-L173 PolarHBondContact O-N 3.46Å; G170-C174 WeakPolarHBondContact O-CB 3.45Å; G170-C174 PolarHBondContact O-N 2.87Å
171	Q	43.1	Very low	40.6	Very low	74 Å²	74	94.2 Å²	94.2	35%	0.346	47%	0.474	S	S	.	.	H	α-helix	trans	-70.2	-39.9	-162.9	-149.1	175.7	8.8	0	0	113.4	M165 I169 T175	M165-Q171 HydrophobicContact CB-CG 4.33Å; I169-Q171 VanDerWaalsContact C-N 3.31Å; I169-Q171 PolarHBondContact O-N 3.44Å; Q171-T175 WeakPolarHBondContact O-CB 3.33Å; Q171-T175 WeakPolarHBondContact O-CG2 3.33Å; Q171-T175 PolarHBondContact O-N 2.89Å; Q171-T175 PolarHBondContact O-OG1 3.41Å
172	S	44.3	Very low	41.1	Very low	45 Å²	45	98.3 Å²	98.3	32%	0.315	49%	0.492	S	S	.	.	H	α-helix	trans	-72.1	-39.4	175.6	40.2	0	0	0	0	112.1	G170 T175 L176	G170-S172 PolarHBondContact O-N 3.04Å; S172-T175 WeakPolarHBondContact CA-OG1 3.48Å; S172-T175 PolarHBondContact O-OG1 3.46Å; S172-L176 WeakPolarHBondContact O-CB 3.42Å; S172-L176 PolarHBondContact O-N 3.23Å
173	L	43.2	Very low	41.2	Very low	102 Å²	102	95.3 Å²	95.3	53%	0.534	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-41	176.3	-104.6	152.4	0	0	0	112.1	G170 L176 I177	G170-L173 PolarHBondContact O-N 3.46Å; L173-L176 PolarHBondContact O-N 2.86Å; L173-I177 WeakPolarHBondContact O-CB 3.43Å; L173-I177 WeakPolarHBondContact O-CD1 3.36Å; L173-I177 WeakPolarHBondContact O-CG1 3.29Å; L173-I177 PolarHBondContact O-N 3.41Å
174	C	43	Very low	40.9	Very low	39 Å²	39	95.1 Å²	95.1	26%	0.264	48%	0.478	S	S	.	.	H	α-helix	trans	-76.9	-34	-177.6	-148.6	0	0	0	0	112.1	M165 G170 L176 I177 L178	M165-C174 HydrophobicContact CE-CB 3.65Å; M165-C174 HydrophobicContact SD-CB 3.82Å; G170-C174 WeakPolarHBondContact O-CB 3.45Å; G170-C174 PolarHBondContact O-N 2.87Å; C174-L176 VanDerWaalsContact C-N 3.31Å; C174-I177 PolarHBondContact O-N 3.13Å; C174-L178 VanDerWaalsContact O-CB 3.31Å; C174-L178 WeakPolarHBondContact O-CB 3.27Å; C174-L178 WeakPolarHBondContact O-CG 3.49Å; C174-L178 PolarHBondContact O-N 3.49Å
175	T	44.3	Very low	40.9	Very low	54 Å²	54	92.4 Å²	92.4	33%	0.331	47%	0.47	S	S	.	.	H	α-helix	trans	-63.7	-38.4	167.5	44.5	0	0	0	0	111.4	Q171 S172 W179	Q171-T175 WeakPolarHBondContact O-CB 3.33Å; Q171-T175 WeakPolarHBondContact O-CG2 3.33Å; Q171-T175 PolarHBondContact O-N 2.89Å; Q171-T175 PolarHBondContact O-OG1 3.41Å; S172-T175 WeakPolarHBondContact CA-OG1 3.48Å; S172-T175 PolarHBondContact O-OG1 3.46Å; T175-W179 WeakPolarHBondContact O-CB 3.27Å; T175-W179 PolarHBondContact O-N 2.97Å
176	L	43.8	Very low	40.7	Very low	46 Å²	46	94.2 Å²	94.2	24%	0.241	48%	0.481	C	S	.	.	H	α-helix	trans	-68.4	-37.7	175.3	-160.9	134.8	0	0	0	112.6	S172 L173 C174 S180 L503	S172-L176 WeakPolarHBondContact O-CB 3.42Å; S172-L176 PolarHBondContact O-N 3.23Å; L173-L176 PolarHBondContact O-N 2.86Å; C174-L176 VanDerWaalsContact C-N 3.31Å; L176-S180 WeakPolarHBondContact O-CB 3.42Å; L176-S180 PolarHBondContact O-N 3.4Å; L176-L503 HydrophobicContact CD2-CD1 4.41Å; L176-L503 HydrophobicContact CD2-CD2 4.49Å
177	I	47.9	Very low	40.5	Very low	81 Å²	81	95.9 Å²	95.9	42%	0.415	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-43.9	174.3	-69.5	161.9	0	0	0	111.4	L173 C174 W179 S180 N181	L173-I177 WeakPolarHBondContact O-CB 3.43Å; L173-I177 WeakPolarHBondContact O-CD1 3.36Å; L173-I177 WeakPolarHBondContact O-CG1 3.29Å; L173-I177 PolarHBondContact O-N 3.41Å; C174-I177 PolarHBondContact O-N 3.13Å; I177-W179 VanDerWaalsContact C-N 3.33Å; I177-S180 PolarHBondContact O-N 2.85Å; I177-N181 PolarHBondContact O-N 2.93Å; I177-N181 PolarHBondContact O-ND2 3.43Å
178	L	45.5	Very low	40	Very low	86 Å²	86	91.7 Å²	91.7	45%	0.45	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-36.9	176.3	-81.6	161.1	0	0	0	111.9	L161 C174	L161-L178 HydrophobicContact CD2-CD1 3.69Å; C174-L178 VanDerWaalsContact O-CB 3.31Å; C174-L178 WeakPolarHBondContact O-CB 3.27Å; C174-L178 WeakPolarHBondContact O-CG 3.49Å; C174-L178 PolarHBondContact O-N 3.49Å
179	W	44.7	Very low	39.7	Very low	62 Å²	62	87.7 Å²	87.7	24%	0.235	46%	0.464	C	S	.	.	H	α-helix	trans	-71.3	-39.5	175.1	-174.3	83.7	0	0	0	112.1	T175 I177 N181 Q182 F183 F208 Y506	T175-W179 WeakPolarHBondContact O-CB 3.27Å; T175-W179 PolarHBondContact O-N 2.97Å; I177-W179 VanDerWaalsContact C-N 3.33Å; W179-N181 VanDerWaalsContact C-N 3.3Å; W179-N181 PolarHBondContact O-N 2.66Å; W179-Q182 WeakPolarHBondContact O-CB 3.31Å; W179-Q182 PolarHBondContact O-N 3.38Å; W179-Q182 VanDerWaalsContact O-N 3.08Å; W179-F183 HydrophobicContact CD2-CD2 4.27Å; W179-F183 HydrophobicContact CD2-CE2 4.19Å; W179-F183 AromaticContact CE2-CE2 3.64Å; W179-F183 HydrophobicContact CE3-CD2 4.27Å; W179-F183 HydrophobicContact CE3-CE2 4.35Å; W179-F183 HydrophobicContact CH2-CD2 4.22Å; W179-F183 AromaticContact CH2-CE2 3.59Å; W179-F183 HydrophobicContact CH2-CE2 3.59Å; W179-F183 HydrophobicContact CH2-CZ 4.16Å; W179-F183 HydrophobicContact CZ2-CD2 4.18Å; W179-F183 AromaticContact CZ2-CE2 3.35Å; W179-F183 HydrophobicContact CZ2-CE2 3.35Å; W179-F183 HydrophobicContact CZ2-CZ 4.06Å; W179-F183 HydrophobicContact CZ3-CD2 4.24Å; W179-F183 HydrophobicContact CZ3-CE2 4.07Å; W179-F208 AromaticContact CH2-CD2 3.8Å; W179-F208 HydrophobicContact CH2-CD2 3.8Å; W179-F208 AromaticContact CH2-CE2 3.89Å; W179-F208 HydrophobicContact CH2-CE2 3.89Å; W179-F208 HydrophobicContact CH2-CG 4.37Å; W179-F208 HydrophobicContact CZ2-CB 4.49Å; W179-F208 HydrophobicContact CZ2-CD2 4.02Å; W179-F208 HydrophobicContact CZ2-CG 4.37Å; W179-F208 HydrophobicContact CZ3-CD2 4.15Å; W179-F208 AromaticContact CZ3-CE2 3.97Å; W179-F208 HydrophobicContact CZ3-CE2 3.97Å; W179-Y506 HydrophobicContact CH2-CE1 4.05Å; W179-Y506 WeakPolarHBondContact CH2-OH 3.29Å; W179-Y506 AromaticContact CZ3-CE1 4Å; W179-Y506 HydrophobicContact CZ3-CE1 4Å
180	S	42.3	Very low	39.2	Very low	34 Å²	34	86.5 Å²	86.5	24%	0.238	46%	0.464	C	S	.	.	H	α-helix	trans	-61.1	-37.3	174	166.7	0	0	0	0	112.4	L176 I177 Q182 F183	L176-S180 WeakPolarHBondContact O-CB 3.42Å; L176-S180 PolarHBondContact O-N 3.4Å; I177-S180 PolarHBondContact O-N 2.85Å; S180-Q182 PolarHBondContact O-N 2.86Å; S180-F183 WeakPolarHBondContact O-CB 3.27Å; S180-F183 PolarHBondContact O-N 3.25Å
181	N	40.8	Very low	38.6	Very low	110 Å²	110	90.8 Å²	90.8	59%	0.588	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-14.4	176.7	-74	-29.9	0	0	0	113.5	I177 W179 F183	I177-N181 PolarHBondContact O-N 2.93Å; I177-N181 PolarHBondContact O-ND2 3.43Å; W179-N181 VanDerWaalsContact C-N 3.3Å; W179-N181 PolarHBondContact O-N 2.66Å; N181-F183 VanDerWaalsContact C-N 3.32Å
182	Q	44.1	Very low	38.2	Very low	145 Å²	145	97.7 Å²	97.7	68%	0.678	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.2	173	-72	-178.4	-11.3	0	0	113.3	W179 S180	W179-Q182 WeakPolarHBondContact O-CB 3.31Å; W179-Q182 PolarHBondContact O-N 3.38Å; W179-Q182 VanDerWaalsContact O-N 3.08Å; S180-Q182 PolarHBondContact O-N 2.86Å
183	F	33.5	Very low	37.8	Very low	109 Å²	109	100.9 Å²	100.9	48%	0.478	53%	0.526	S	S	.	.			trans	-95.3	17.8	-171.8	-109.4	-84.4	0	0	0	114.9	W179 S180 N181 P185	W179-F183 HydrophobicContact CD2-CD2 4.27Å; W179-F183 HydrophobicContact CD2-CE2 4.19Å; W179-F183 AromaticContact CE2-CE2 3.64Å; W179-F183 HydrophobicContact CE3-CD2 4.27Å; W179-F183 HydrophobicContact CE3-CE2 4.35Å; W179-F183 HydrophobicContact CH2-CD2 4.22Å; W179-F183 AromaticContact CH2-CE2 3.59Å; W179-F183 HydrophobicContact CH2-CE2 3.59Å; W179-F183 HydrophobicContact CH2-CZ 4.16Å; W179-F183 HydrophobicContact CZ2-CD2 4.18Å; W179-F183 AromaticContact CZ2-CE2 3.35Å; W179-F183 HydrophobicContact CZ2-CE2 3.35Å; W179-F183 HydrophobicContact CZ2-CZ 4.06Å; W179-F183 HydrophobicContact CZ3-CD2 4.24Å; W179-F183 HydrophobicContact CZ3-CE2 4.07Å; S180-F183 WeakPolarHBondContact O-CB 3.27Å; S180-F183 PolarHBondContact O-N 3.25Å; N181-F183 VanDerWaalsContact C-N 3.32Å; F183-P185 WeakPolarHBondContact O-CD 3.38Å; F183-P185 VanDerWaalsContact O-N 3.16Å
184	T	33.1	Very low	37.4	Very low	91 Å²	91	102.4 Å²	102.4	56%	0.558	53%	0.531	S	S	*	.			trans	-67	110.9	170.5	47.2	0	0	0	0	109.3	D186	T184-D186 PolarHBondContact O-N 2.84Å; T184-D186 VanDerWaalsContact O-N 3.09Å
185	P	32.9	Very low	36.9	Very low	85 Å²	85	105.4 Å²	105.4	55%	0.552	55%	0.551	S	S	*	*			trans	-70.7	108.4	175.4	29.3	-29.5	0	0	0	108.2	F183 Y187	F183-P185 WeakPolarHBondContact O-CD 3.38Å; F183-P185 VanDerWaalsContact O-N 3.16Å; P185-Y187 VanDerWaalsContact C-N 3.33Å; P185-Y187 HydrophobicContact CB-CD2 4.05Å; P185-Y187 HydrophobicContact CB-CE2 3.86Å; P185-Y187 HydrophobicContact CG-CD2 3.98Å; P185-Y187 HydrophobicContact CG-CE2 3.54Å; P185-Y187 PolarHBondContact O-N 3.49Å
186	D	29.6	Very low	36.5	Very low	87 Å²	87	109 Å²	109	47%	0.465	57%	0.568	S	S	.	*			trans	-66.8	96.8	161.9	-72.3	-30.4	0	0	0	106.7	K144 T184 T188	K144-D186 IonicContact NZ-OD2 3.96Å; T184-D186 PolarHBondContact O-N 2.84Å; T184-D186 VanDerWaalsContact O-N 3.09Å; D186-T188 PolarHBondContact O-N 3.21Å
187	Y	32.4	Very low	36	Very low	215 Å²	215	114.4 Å²	114.4	84%	0.843	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	15.5	177.8	-87.2	-81	0	0	0	113.8	P185	P185-Y187 VanDerWaalsContact C-N 3.33Å; P185-Y187 HydrophobicContact CB-CD2 4.05Å; P185-Y187 HydrophobicContact CB-CE2 3.86Å; P185-Y187 HydrophobicContact CG-CD2 3.98Å; P185-Y187 HydrophobicContact CG-CE2 3.54Å; P185-Y187 PolarHBondContact O-N 3.49Å
188	T	31	Very low	35.4	Very low	122 Å²	122	116.6 Å²	116.6	75%	0.748	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	17.8	-172.1	52.7	0	0	0	0	114.4	D186 P190	D186-T188 PolarHBondContact O-N 3.21Å; T188-P190 VanDerWaalsContact O-CD 3.27Å; T188-P190 WeakPolarHBondContact O-CD 3.43Å
189	I	31.2	Very low	34.9	Very low	93 Å²	93	120.5 Å²	120.5	48%	0.477	61%	0.608	S	S	.	*			trans	-83	117.6	177.2	-56.4	176.3	0	0	0	110.4	Y197	I189-Y197 HydrophobicContact CD1-CE2 4.38Å
190	P	31.1	Very low	34.5	Very low	106 Å²	106	124.4 Å²	124.4	69%	0.688	63%	0.627	S	S	*	*			trans	-65.7	146.2	173.1	25.9	-31	0	0	0	111.4	T188 Y192	T188-P190 VanDerWaalsContact O-CD 3.27Å; T188-P190 WeakPolarHBondContact O-CD 3.43Å; P190-Y192 PolarHBondContact O-N 3Å
191	C	28.6	Very low	34	Very low	121 Å²	121	125.4 Å²	125.4	82%	0.818	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	40.3	-167.6	-74.8	0	0	0	0	117.8
192	Y	35.4	Very low	33.7	Very low	219 Å²	219	123 Å²	123	86%	0.859	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	0.3	-179.3	-151.8	-99.5	0	0	0	116.2	P190	P190-Y192 PolarHBondContact O-N 3Å
193	N	35.3	Very low	33.6	Very low	111 Å²	111	126.4 Å²	126.4	59%	0.594	64%	0.636	S	S	*	*			trans	-119.2	22.1	-176.8	-90.2	-26.5	0	0	0	115.7	C195	N193-C195 PolarHBondContact O-N 3.31Å
194	Q	34.4	Very low	33.9	Very low	135 Å²	135	125.4 Å²	125.4	63%	0.631	63%	0.633	S	S	*	*	H	α-helix	trans	-63.8	-34.7	-170.4	-146.5	137.2	-21	0	0	114.1	Y197 E198	Q194-Y197 PolarHBondContact O-N 2.9Å; Q194-E198 PolarHBondContact O-N 3.01Å
195	C	32.8	Very low	34.1	Very low	101 Å²	101	125.4 Å²	125.4	68%	0.682	63%	0.626	S	S	*	*	H	α-helix	trans	-73.3	-29.8	-176.9	-75.1	0	0	0	0	115.5	N193 Y197	N193-C195 PolarHBondContact O-N 3.31Å; C195-Y197 VanDerWaalsContact C-N 3.34Å
196	N	36	Very low	34.8	Very low	129 Å²	129	125.1 Å²	125.1	69%	0.69	63%	0.627	S	S	*	*	H	α-helix	trans	-79.1	-23.3	176.6	-100.9	-15.3	0	0	0	112.1	K200	N196-K200 PolarHBondContact O-N 3.31Å
197	Y	33.4	Very low	35.6	Very low	161 Å²	161	126.9 Å²	126.9	63%	0.631	63%	0.632	S	S	*	*	H	α-helix	trans	-69.6	-37.3	175.2	-124.2	-91.7	0	0	0	111.8	I189 Q194 C195 K200 S201	I189-Y197 HydrophobicContact CD1-CE2 4.38Å; Q194-Y197 PolarHBondContact O-N 2.9Å; C195-Y197 VanDerWaalsContact C-N 3.34Å; Y197-K200 PolarHBondContact O-N 3.36Å; Y197-S201 WeakPolarHBondContact O-CB 3.47Å; Y197-S201 PolarHBondContact O-N 3.35Å
198	E	34.8	Very low	36.1	Very low	127 Å²	127	117.7 Å²	117.7	59%	0.593	60%	0.596	S	S	*	*	H	α-helix	trans	-67.1	-42.1	179.1	-73.8	-178.7	157.7	0	0	113.6	Q194 K200 S201 A202	Q194-E198 PolarHBondContact O-N 3.01Å; E198-K200 VanDerWaalsContact C-N 3.34Å; E198-K200 PolarHBondContact O-N 3.33Å; E198-S201 PolarHBondContact O-N 2.96Å; E198-S201 PolarHBondContact O-OG 3.4Å; E198-S201 VanDerWaalsContact O-OG 3.04Å; E198-A202 WeakPolarHBondContact O-CB 3.44Å; E198-A202 PolarHBondContact O-N 3.25Å
199	K	35.3	Very low	36.9	Very low	167 Å²	167	116.2 Å²	116.2	73%	0.726	58%	0.583	S	S	*	*	H	α-helix	trans	-69.1	-32.8	177.1	-79.9	-178.2	178.1	175.2	0	112.8	R203	K199-R203 PolarHBondContact O-N 2.97Å
200	K	36	Very low	37.9	Very low	144 Å²	144	116.6 Å²	116.6	63%	0.626	58%	0.583	S	S	*	*	H	α-helix	trans	-74.3	-39.5	177.3	-149	174.7	-173.8	179.6	0	111	N196 Y197 E198 Q204	N196-K200 PolarHBondContact O-N 3.31Å; Y197-K200 PolarHBondContact O-N 3.36Å; E198-K200 VanDerWaalsContact C-N 3.34Å; E198-K200 PolarHBondContact O-N 3.33Å; K200-Q204 WeakPolarHBondContact O-CB 3.49Å; K200-Q204 WeakPolarHBondContact O-CG 3.45Å; K200-Q204 PolarHBondContact O-N 3.46Å; K200-Q204 VanDerWaalsContact O-N 3.14Å; K200-Q204 PolarHBondContact O-OE1 3.05Å
201	S	32.4	Very low	38.8	Very low	55 Å²	55	113.6 Å²	113.6	39%	0.385	56%	0.56	S	S	.	*	H	α-helix	trans	-65.3	-37.2	175.6	81.8	0	0	0	0	112.2	Y197 E198 Q204 H205	Y197-S201 WeakPolarHBondContact O-CB 3.47Å; Y197-S201 PolarHBondContact O-N 3.35Å; E198-S201 PolarHBondContact O-N 2.96Å; E198-S201 PolarHBondContact O-OG 3.4Å; E198-S201 VanDerWaalsContact O-OG 3.04Å; S201-Q204 PolarHBondContact O-N 3.33Å; S201-H205 WeakPolarHBondContact O-CB 3.47Å; S201-H205 PolarHBondContact O-N 3.28Å
202	A	35.3	Very low	39.9	Very low	61 Å²	61	110.5 Å²	110.5	50%	0.504	54%	0.535	S	S	.	.	H	α-helix	trans	-66.5	-46.1	178.5	0	0	0	0	0	113.4	E198 Q204 H205 S206	E198-A202 WeakPolarHBondContact O-CB 3.44Å; E198-A202 PolarHBondContact O-N 3.25Å; A202-Q204 VanDerWaalsContact C-N 3.31Å; A202-Q204 PolarHBondContact O-N 2.97Å; A202-H205 WeakPolarHBondContact O-CB 3.47Å; A202-H205 PolarHBondContact O-N 2.9Å; A202-S206 PolarHBondContact O-N 3.46Å
203	R	40.8	Very low	40.4	Very low	216 Å²	216	107 Å²	107	82%	0.815	53%	0.525	S	S	*	.	H	α-helix	trans	-64.5	-36.4	174.8	-93.3	-178.2	176.9	171.5	-0.8	112.1	K199 S206 H207	K199-R203 PolarHBondContact O-N 2.97Å; R203-S206 PolarHBondContact O-N 3.47Å; R203-H207 PolarHBondContact O-N 3.06Å
204	Q	39.5	Very low	41.2	Very low	88 Å²	88	106.9 Å²	106.9	41%	0.411	52%	0.52	S	S	.	.	H	α-helix	trans	-72	-32.9	177.4	-71.3	173.2	-23.8	0	0	112.3	K200 S201 A202 H207 F208	K200-Q204 WeakPolarHBondContact O-CB 3.49Å; K200-Q204 WeakPolarHBondContact O-CG 3.45Å; K200-Q204 PolarHBondContact O-N 3.46Å; K200-Q204 VanDerWaalsContact O-N 3.14Å; K200-Q204 PolarHBondContact O-OE1 3.05Å; S201-Q204 PolarHBondContact O-N 3.33Å; A202-Q204 VanDerWaalsContact C-N 3.31Å; A202-Q204 PolarHBondContact O-N 2.97Å; Q204-H207 PolarHBondContact O-N 3.38Å; Q204-F208 PolarHBondContact O-N 3.33Å
205	H	38.9	Very low	41.9	Very low	90 Å²	90	103.7 Å²	103.7	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-42.9	171.4	-116	79.2	0	0	0	112.4	S201 A202 H207 F208 I209	S201-H205 WeakPolarHBondContact O-CB 3.47Å; S201-H205 PolarHBondContact O-N 3.28Å; A202-H205 WeakPolarHBondContact O-CB 3.47Å; A202-H205 PolarHBondContact O-N 2.9Å; H205-H207 VanDerWaalsContact C-N 3.29Å; H205-H207 PolarHBondContact O-N 3.44Å; H205-F208 PolarHBondContact O-N 2.83Å; H205-I209 WeakPolarHBondContact O-CG1 3.49Å; H205-I209 PolarHBondContact O-N 3.24Å
206	S	45.7	Very low	42.5	Very low	80 Å²	80	103.7 Å²	103.7	56%	0.559	50%	0.495	S	S	*	.	H	α-helix	trans	-58.5	-41.8	177.7	-173.1	0	0	0	0	112.1	A202 R203 I209 E210	A202-S206 PolarHBondContact O-N 3.46Å; R203-S206 PolarHBondContact O-N 3.47Å; S206-I209 PolarHBondContact O-N 3.42Å; S206-E210 PolarHBondContact O-N 2.93Å
207	H	46.7	Very low	43.1	Very low	124 Å²	124	101.7 Å²	101.7	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-71.6	-32.5	-178.4	-137.6	-45	0	0	0	112.4	R203 Q204 H205 E210 I211	R203-H207 PolarHBondContact O-N 3.06Å; Q204-H207 PolarHBondContact O-N 3.38Å; H205-H207 VanDerWaalsContact C-N 3.29Å; H205-H207 PolarHBondContact O-N 3.44Å; H207-E210 IonicContact ND1-OE2 3.97Å; H207-E210 WeakPolarHBondContact O-CB 3.36Å; H207-E210 PolarHBondContact O-N 3.31Å; H207-I211 WeakPolarHBondContact O-CG1 3.33Å; H207-I211 PolarHBondContact O-N 3.36Å
208	F	43.4	Very low	43.8	Very low	21 Å²	21	101.2 Å²	101.2	9%	0.092	49%	0.489	C	S	.	.	H	α-helix	trans	-67.3	-43.2	174.2	177.7	-104.7	0	0	0	112.3	W179 Q204 H205 E210 I211 I212 L507	W179-F208 AromaticContact CH2-CD2 3.8Å; W179-F208 HydrophobicContact CH2-CD2 3.8Å; W179-F208 AromaticContact CH2-CE2 3.89Å; W179-F208 HydrophobicContact CH2-CE2 3.89Å; W179-F208 HydrophobicContact CH2-CG 4.37Å; W179-F208 HydrophobicContact CZ2-CB 4.49Å; W179-F208 HydrophobicContact CZ2-CD2 4.02Å; W179-F208 HydrophobicContact CZ2-CG 4.37Å; W179-F208 HydrophobicContact CZ3-CD2 4.15Å; W179-F208 AromaticContact CZ3-CE2 3.97Å; W179-F208 HydrophobicContact CZ3-CE2 3.97Å; Q204-F208 PolarHBondContact O-N 3.33Å; H205-F208 PolarHBondContact O-N 2.83Å; F208-E210 PolarHBondContact O-N 3.27Å; F208-I211 PolarHBondContact O-N 3.04Å; F208-I212 HydrophobicContact CD1-CD1 3.97Å; F208-I212 HydrophobicContact CE1-CD1 3.27Å; F208-I212 HydrophobicContact CE1-CG1 4.19Å; F208-I212 HydrophobicContact CE2-CD1 4.13Å; F208-I212 HydrophobicContact CE2-CG1 4.4Å; F208-I212 HydrophobicContact CZ-CD1 3.37Å; F208-I212 HydrophobicContact CZ-CG1 4.12Å; F208-I212 PolarHBondContact O-N 3.06Å; F208-L507 HydrophobicContact CZ-CD2 4.31Å
209	I	47.2	Very low	44.2	Very low	92 Å²	92	100.2 Å²	100.2	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-58.7	-36.9	174.2	-68.8	171.9	0	0	0	110.6	H205 S206 K213	H205-I209 WeakPolarHBondContact O-CG1 3.49Å; H205-I209 PolarHBondContact O-N 3.24Å; S206-I209 PolarHBondContact O-N 3.42Å; I209-K213 WeakPolarHBondContact O-CB 2.99Å; I209-K213 WeakPolarHBondContact O-CG 3.37Å; I209-K213 PolarHBondContact O-N 3.18Å
210	E	52.3	Low	44.8	Very low	101 Å²	101	95.9 Å²	95.9	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-67	-41.1	177.4	-160.2	173.8	-173.1	0	0	112.7	S206 H207 F208 K213 Q214	S206-E210 PolarHBondContact O-N 2.93Å; H207-E210 IonicContact ND1-OE2 3.97Å; H207-E210 WeakPolarHBondContact O-CB 3.36Å; H207-E210 PolarHBondContact O-N 3.31Å; F208-E210 PolarHBondContact O-N 3.27Å; E210-K213 WeakPolarHBondContact O-CB 3.45Å; E210-K213 PolarHBondContact O-N 3.19Å; E210-Q214 WeakPolarHBondContact O-CG 3.33Å; E210-Q214 PolarHBondContact O-N 2.99Å
211	I	51.7	Low	45.4	Very low	42 Å²	42	95.4 Å²	95.4	22%	0.215	47%	0.469	C	S	.	.	H	α-helix	trans	-67	-43.9	176.2	-65.3	169.9	0	0	0	111.1	H207 F208 K213 Q214 I215	H207-I211 WeakPolarHBondContact O-CG1 3.33Å; H207-I211 PolarHBondContact O-N 3.36Å; F208-I211 PolarHBondContact O-N 3.04Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 3.31Å; I211-Q214 WeakPolarHBondContact O-CB 3.49Å; I211-Q214 PolarHBondContact O-N 2.97Å; I211-I215 HydrophobicContact CG2-CD1 4.11Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 2.88Å
212	I	49.7	Very low	46	Very low	57 Å²	57	98.8 Å²	98.8	29%	0.292	48%	0.476	S	S	.	.	H	α-helix	trans	-60.9	-45.3	174.6	-73	-172.8	0	0	0	110.4	F208 Q214 I215 F216	F208-I212 HydrophobicContact CD1-CD1 3.97Å; F208-I212 HydrophobicContact CE1-CD1 3.27Å; F208-I212 HydrophobicContact CE1-CG1 4.19Å; F208-I212 HydrophobicContact CE2-CD1 4.13Å; F208-I212 HydrophobicContact CE2-CG1 4.4Å; F208-I212 HydrophobicContact CZ-CD1 3.37Å; F208-I212 HydrophobicContact CZ-CG1 4.12Å; F208-I212 PolarHBondContact O-N 3.06Å; I212-Q214 VanDerWaalsContact C-N 3.28Å; I212-Q214 PolarHBondContact O-N 3.38Å; I212-I215 PolarHBondContact O-N 3.5Å; I212-F216 HydrophobicContact CG2-CD2 3.69Å; I212-F216 HydrophobicContact CG2-CE2 4.01Å; I212-F216 WeakPolarHBondContact O-CB 3.45Å; I212-F216 PolarHBondContact O-N 2.98Å
213	K	47.7	Very low	46.4	Very low	146 Å²	146	99.3 Å²	99.3	64%	0.635	47%	0.473	S	S	*	.	H	α-helix	trans	-53.6	-47.4	173.9	-92	-175.5	172.9	-178.9	0	110.9	I209 E210 I211 F216 T217	I209-K213 WeakPolarHBondContact O-CB 2.99Å; I209-K213 WeakPolarHBondContact O-CG 3.37Å; I209-K213 PolarHBondContact O-N 3.18Å; E210-K213 WeakPolarHBondContact O-CB 3.45Å; E210-K213 PolarHBondContact O-N 3.19Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 3.31Å; K213-F216 PolarHBondContact O-N 3.38Å; K213-T217 PolarHBondContact O-N 3.16Å; K213-T217 PolarHBondContact O-OG1 3.22Å
214	Q	51.3	Low	46.7	Very low	108 Å²	108	91.6 Å²	91.6	51%	0.505	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-46.3	178.9	-75	-179.8	10.9	0	0	112.9	E210 I211 I212 T217 K218	E210-Q214 WeakPolarHBondContact O-CG 3.33Å; E210-Q214 PolarHBondContact O-N 2.99Å; I211-Q214 WeakPolarHBondContact O-CB 3.49Å; I211-Q214 PolarHBondContact O-N 2.97Å; I212-Q214 VanDerWaalsContact C-N 3.28Å; I212-Q214 PolarHBondContact O-N 3.38Å; Q214-T217 VanDerWaalsContact CA-OG1 3.28Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.09Å; Q214-T217 PolarHBondContact O-N 3.18Å; Q214-T217 PolarHBondContact O-OG1 3.32Å; Q214-K218 PolarHBondContact O-N 2.94Å
215	I	48.2	Very low	47.1	Very low	68 Å²	68	92.1 Å²	92.1	35%	0.349	45%	0.45	S	S	.	.	H	α-helix	trans	-60.3	-48.1	177.2	-66.7	169.5	0	0	0	110	I211 I212 K218 L219	I211-I215 HydrophobicContact CG2-CD1 4.11Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 2.88Å; I212-I215 PolarHBondContact O-N 3.5Å; I215-K218 PolarHBondContact O-N 3.5Å; I215-L219 PolarHBondContact O-N 2.94Å
216	F	46.2	Very low	47.4	Very low	100 Å²	100	93.4 Å²	93.4	44%	0.439	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-44.5	177.9	-96.3	-84.2	0	0	0	112.4	I212 K213 K218 L219 F220 L314 L318	I212-F216 HydrophobicContact CG2-CD2 3.69Å; I212-F216 HydrophobicContact CG2-CE2 4.01Å; I212-F216 WeakPolarHBondContact O-CB 3.45Å; I212-F216 PolarHBondContact O-N 2.98Å; K213-F216 PolarHBondContact O-N 3.38Å; F216-K218 VanDerWaalsContact C-N 3.31Å; F216-K218 PolarHBondContact O-N 3.41Å; F216-L219 PolarHBondContact O-N 3.35Å; F216-F220 WeakPolarHBondContact O-CB 3.49Å; F216-F220 PolarHBondContact O-N 3.26Å; F216-L314 HydrophobicContact CE1-CD2 4.44Å; F216-L318 HydrophobicContact CE1-CD1 4.24Å; F216-L318 HydrophobicContact CZ-CD1 4.4Å
217	T	49.4	Very low	47.4	Very low	88 Å²	88	91.8 Å²	91.8	54%	0.54	45%	0.446	S	S	.	.	H	α-helix	trans	-61.8	-37.5	176.6	34.8	0	0	0	0	112.6	K213 Q214 H221	K213-T217 PolarHBondContact O-N 3.16Å; K213-T217 PolarHBondContact O-OG1 3.22Å; Q214-T217 VanDerWaalsContact CA-OG1 3.28Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.09Å; Q214-T217 PolarHBondContact O-N 3.18Å; Q214-T217 PolarHBondContact O-OG1 3.32Å; T217-H221 WeakPolarHBondContact O-CB 3.27Å; T217-H221 PolarHBondContact O-N 2.87Å
218	K	46.9	Very low	47.4	Very low	151 Å²	151	92 Å²	92	66%	0.657	44%	0.443	S	S	*	.	H	α-helix	trans	-71	-41.1	176.8	-77.6	-172.8	175.9	-174.7	0	112.1	Q214 I215 F216 F220 H221 K222	Q214-K218 PolarHBondContact O-N 2.94Å; I215-K218 PolarHBondContact O-N 3.5Å; F216-K218 VanDerWaalsContact C-N 3.31Å; F216-K218 PolarHBondContact O-N 3.41Å; K218-F220 VanDerWaalsContact C-N 3.29Å; K218-F220 PolarHBondContact O-N 3.3Å; K218-H221 PolarHBondContact O-N 2.96Å; K218-K222 PolarHBondContact O-N 3Å
219	L	44.4	Very low	47.6	Very low	106 Å²	106	93.9 Å²	93.9	56%	0.555	46%	0.456	S	S	*	.	H	α-helix	trans	-61.3	-43.6	174.6	-146.7	102.8	0	0	0	110.4	I215 F216 K222 T223	I215-L219 PolarHBondContact O-N 2.94Å; F216-L219 PolarHBondContact O-N 3.35Å; L219-K222 WeakPolarHBondContact O-CB 3.39Å; L219-K222 PolarHBondContact O-N 3.16Å; L219-T223 PolarHBondContact O-N 3.23Å; L219-T223 PolarHBondContact O-OG1 3.41Å
220	F	46.9	Very low	47.5	Very low	76 Å²	76	95.3 Å²	95.3	33%	0.333	46%	0.464	S	S	.	.	H	α-helix	trans	-61	-45.7	176.7	-172.4	-116.2	0	0	0	112.2	F216 K218 K222 T223 I224 L307 V311	F216-F220 WeakPolarHBondContact O-CB 3.49Å; F216-F220 PolarHBondContact O-N 3.26Å; K218-F220 VanDerWaalsContact C-N 3.29Å; K218-F220 PolarHBondContact O-N 3.3Å; F220-K222 VanDerWaalsContact C-N 3.31Å; F220-K222 PolarHBondContact O-N 3.49Å; F220-T223 VanDerWaalsContact C-OG1 3.32Å; F220-T223 VanDerWaalsContact CA-OG1 3.29Å; F220-T223 WeakPolarHBondContact CA-OG1 3.47Å; F220-T223 PolarHBondContact O-N 3.21Å; F220-T223 PolarHBondContact O-OG1 3.42Å; F220-I224 HydrophobicContact CD1-CD1 3.85Å; F220-I224 HydrophobicContact CE1-CD1 3.6Å; F220-I224 HydrophobicContact CE1-CG1 4.45Å; F220-I224 HydrophobicContact CZ-CD1 4.03Å; F220-I224 HydrophobicContact CZ-CG1 4.45Å; F220-I224 WeakPolarHBondContact O-CG1 3.43Å; F220-I224 PolarHBondContact O-N 3.04Å; F220-L307 HydrophobicContact CE1-CD2 4.4Å; F220-L307 HydrophobicContact CE2-CD1 3.61Å; F220-L307 HydrophobicContact CE2-CG 4.12Å; F220-L307 HydrophobicContact CZ-CD1 3.71Å; F220-L307 HydrophobicContact CZ-CD2 3.78Å; F220-L307 HydrophobicContact CZ-CG 3.77Å; F220-V311 HydrophobicContact CD2-CG2 4.09Å; F220-V311 HydrophobicContact CE2-CG2 3.11Å; F220-V311 HydrophobicContact CZ-CG2 3.59Å
221	H	48.4	Very low	47.3	Very low	134 Å²	134	93 Å²	93	62%	0.62	46%	0.455	S	S	*	.	H	α-helix	trans	-63.7	-36	176.7	-155.2	-68.4	0	0	0	112.3	T217 K218 I224 E225	T217-H221 WeakPolarHBondContact O-CB 3.27Å; T217-H221 PolarHBondContact O-N 2.87Å; K218-H221 PolarHBondContact O-N 2.96Å; H221-I224 PolarHBondContact O-N 3.45Å; H221-E225 PolarHBondContact O-N 2.93Å
222	K	46.4	Very low	47	Very low	125 Å²	125	94.5 Å²	94.5	54%	0.543	46%	0.463	S	S	.	.	H	α-helix	trans	-68.6	-39.4	175.4	-152.8	77.7	-175.8	156.4	0	111.9	K218 L219 F220 I224 E225 M226	K218-K222 PolarHBondContact O-N 3Å; L219-K222 WeakPolarHBondContact O-CB 3.39Å; L219-K222 PolarHBondContact O-N 3.16Å; F220-K222 VanDerWaalsContact C-N 3.31Å; F220-K222 PolarHBondContact O-N 3.49Å; K222-I224 VanDerWaalsContact C-N 3.35Å; K222-E225 IonicContact NZ-OE2 2.63Å; K222-E225 PolarHBondContact NZ-OE2 3.47Å; K222-E225 PolarHBondContact O-N 3.49Å; K222-M226 WeakPolarHBondContact O-CG 3.2Å; K222-M226 PolarHBondContact O-N 3.12Å
223	T	43.8	Very low	46.9	Very low	73 Å²	73	97.1 Å²	97.1	45%	0.448	48%	0.476	S	S	.	.	H	α-helix	trans	-65.9	-36.2	174	45.9	0	0	0	0	112.3	L219 F220 M226 S227	L219-T223 PolarHBondContact O-N 3.23Å; L219-T223 PolarHBondContact O-OG1 3.41Å; F220-T223 VanDerWaalsContact C-OG1 3.32Å; F220-T223 VanDerWaalsContact CA-OG1 3.29Å; F220-T223 WeakPolarHBondContact CA-OG1 3.47Å; F220-T223 PolarHBondContact O-N 3.21Å; F220-T223 PolarHBondContact O-OG1 3.42Å; T223-M226 PolarHBondContact O-N 2.9Å; T223-S227 WeakPolarHBondContact O-CB 3.32Å; T223-S227 PolarHBondContact O-N 3.2Å; T223-S227 PolarHBondContact O-OG 2.84Å
224	I	47.1	Very low	46.8	Very low	54 Å²	54	96 Å²	96	28%	0.277	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-49.1	172.6	-68.3	166.7	0	0	0	110.2	F220 H221 K222 M226 S227 Y228 L307	F220-I224 HydrophobicContact CD1-CD1 3.85Å; F220-I224 HydrophobicContact CE1-CD1 3.6Å; F220-I224 HydrophobicContact CE1-CG1 4.45Å; F220-I224 HydrophobicContact CZ-CD1 4.03Å; F220-I224 HydrophobicContact CZ-CG1 4.45Å; F220-I224 WeakPolarHBondContact O-CG1 3.43Å; F220-I224 PolarHBondContact O-N 3.04Å; H221-I224 PolarHBondContact O-N 3.45Å; K222-I224 VanDerWaalsContact C-N 3.35Å; I224-M226 VanDerWaalsContact C-N 3.32Å; I224-M226 PolarHBondContact O-N 2.88Å; I224-S227 PolarHBondContact O-N 3.43Å; I224-S227 VanDerWaalsContact O-N 3.12Å; I224-S227 PolarHBondContact O-OG 2.95Å; I224-Y228 PolarHBondContact O-N 3.35Å; I224-L307 HydrophobicContact CD1-CD1 4.25Å; I224-L307 HydrophobicContact CD1-CD2 3.78Å; I224-L307 HydrophobicContact CG1-CD1 3.45Å; I224-L307 VanDerWaalsContact CG1-CD1 3.45Å; I224-L307 HydrophobicContact CG1-CD2 3.72Å; I224-L307 HydrophobicContact CG1-CG 4.23Å
225	E	47.5	Very low	46.4	Very low	99 Å²	99	97.7 Å²	97.7	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-57.5	-44.1	178.7	-165.4	-177.8	-168.5	0	0	111.6	H221 K222 Y228 T229	H221-E225 PolarHBondContact O-N 2.93Å; K222-E225 IonicContact NZ-OE2 2.63Å; K222-E225 PolarHBondContact NZ-OE2 3.47Å; K222-E225 PolarHBondContact O-N 3.49Å; E225-Y228 PolarHBondContact O-N 2.89Å; E225-T229 WeakPolarHBondContact O-CG2 3.5Å; E225-T229 PolarHBondContact O-N 3.46Å; E225-T229 PolarHBondContact O-OG1 3.32Å
226	M	44.4	Very low	46.1	Very low	117 Å²	117	100.8 Å²	100.8	58%	0.576	49%	0.487	S	S	*	.	H	α-helix	trans	-66.9	-35.9	176	-68.9	-62.2	-68.6	0	0	113	K222 T223 I224 T229 L230	K222-M226 WeakPolarHBondContact O-CG 3.2Å; K222-M226 PolarHBondContact O-N 3.12Å; T223-M226 PolarHBondContact O-N 2.9Å; I224-M226 VanDerWaalsContact C-N 3.32Å; I224-M226 PolarHBondContact O-N 2.88Å; M226-T229 WeakPolarHBondContact CA-OG1 3.25Å; M226-T229 PolarHBondContact O-OG1 2.89Å; M226-L230 PolarHBondContact O-N 3.46Å
227	S	46.8	Very low	46	Very low	45 Å²	45	101.5 Å²	101.5	32%	0.315	49%	0.488	S	S	.	.	H	α-helix	trans	-69.2	-39.6	176.2	73.2	0	0	0	0	112.4	T223 I224 L230 L231	T223-S227 WeakPolarHBondContact O-CB 3.32Å; T223-S227 PolarHBondContact O-N 3.2Å; T223-S227 PolarHBondContact O-OG 2.84Å; I224-S227 PolarHBondContact O-N 3.43Å; I224-S227 VanDerWaalsContact O-N 3.12Å; I224-S227 PolarHBondContact O-OG 2.95Å; S227-L230 PolarHBondContact O-N 3.44Å; S227-L231 WeakPolarHBondContact O-CB 3.15Å; S227-L231 PolarHBondContact O-N 3.26Å
228	Y	45.7	Very low	45.8	Very low	129 Å²	129	100.6 Å²	100.6	51%	0.506	48%	0.48	S	S	.	.	H	α-helix	trans	-68.6	-40.3	179.5	-170.5	-101.9	0	0	0	111.8	I224 E225 L231 L232	I224-Y228 PolarHBondContact O-N 3.35Å; E225-Y228 PolarHBondContact O-N 2.89Å; Y228-L231 PolarHBondContact O-N 3.28Å; Y228-L232 HydrophobicContact CD1-CD1 3.67Å; Y228-L232 HydrophobicContact CD1-CG 4.28Å; Y228-L232 HydrophobicContact CE1-CD1 3.39Å; Y228-L232 HydrophobicContact CE1-CG 3.99Å; Y228-L232 PolarHBondContact O-N 3.18Å
229	T	47	Very low	45.6	Very low	61 Å²	61	96.3 Å²	96.3	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-64.1	-42.3	174.7	49.1	0	0	0	0	112	E225 M226 L231 L232 I233	E225-T229 WeakPolarHBondContact O-CG2 3.5Å; E225-T229 PolarHBondContact O-N 3.46Å; E225-T229 PolarHBondContact O-OG1 3.32Å; M226-T229 WeakPolarHBondContact CA-OG1 3.25Å; M226-T229 PolarHBondContact O-OG1 2.89Å; T229-L231 VanDerWaalsContact C-N 3.32Å; T229-L231 PolarHBondContact O-N 2.85Å; T229-L232 PolarHBondContact O-N 2.99Å; T229-I233 WeakPolarHBondContact O-CD1 3.37Å; T229-I233 VanDerWaalsContact O-CG1 3.27Å; T229-I233 WeakPolarHBondContact O-CG1 3.47Å; T229-I233 PolarHBondContact O-N 3.25Å
230	L	46	Very low	45.4	Very low	121 Å²	121	94.1 Å²	94.1	63%	0.634	46%	0.46	S	S	*	.	H	α-helix	trans	-61.9	-39	173.7	-118.8	105	0	0	0	112.4	M226 S227 I233 K234	M226-L230 PolarHBondContact O-N 3.46Å; S227-L230 PolarHBondContact O-N 3.44Å; L230-I233 PolarHBondContact O-N 3.29Å; L230-K234 PolarHBondContact O-N 2.86Å
231	L	47.4	Very low	45.1	Very low	53 Å²	53	95.7 Å²	95.7	28%	0.277	47%	0.467	S	S	.	.	H	α-helix	trans	-67.4	-42.3	178.7	-157.8	97.6	0	0	0	111.8	S227 Y228 T229 K234 Y235 I306	S227-L231 WeakPolarHBondContact O-CB 3.15Å; S227-L231 PolarHBondContact O-N 3.26Å; Y228-L231 PolarHBondContact O-N 3.28Å; T229-L231 VanDerWaalsContact C-N 3.32Å; T229-L231 PolarHBondContact O-N 2.85Å; L231-K234 PolarHBondContact O-N 2.83Å; L231-Y235 WeakPolarHBondContact O-CB 3.42Å; L231-Y235 PolarHBondContact O-N 3.24Å; L231-I306 HydrophobicContact CD1-CD1 4.01Å
232	L	46.2	Very low	44.7	Very low	73 Å²	73	95.9 Å²	95.9	38%	0.382	47%	0.465	S	S	.	.	H	α-helix	trans	-61.1	-43.6	175	-83.4	170	0	0	0	111.9	Y228 T229 K234 Y235 Q236	Y228-L232 HydrophobicContact CD1-CD1 3.67Å; Y228-L232 HydrophobicContact CD1-CG 4.28Å; Y228-L232 HydrophobicContact CE1-CD1 3.39Å; Y228-L232 HydrophobicContact CE1-CG 3.99Å; Y228-L232 PolarHBondContact O-N 3.18Å; T229-L232 PolarHBondContact O-N 2.99Å; L232-K234 VanDerWaalsContact C-N 3.32Å; L232-K234 PolarHBondContact O-N 3.37Å; L232-Y235 PolarHBondContact O-N 3.42Å; L232-Q236 WeakPolarHBondContact O-CB 3.2Å; L232-Q236 WeakPolarHBondContact O-CG 3.45Å; L232-Q236 PolarHBondContact O-N 2.86Å
233	I	46.4	Very low	44.2	Very low	112 Å²	112	93.4 Å²	93.4	57%	0.574	46%	0.464	S	S	*	.	H	α-helix	trans	-60.8	-43.4	176.5	-68.3	165.1	0	0	0	110.3	T229 L230 Y237	T229-I233 WeakPolarHBondContact O-CD1 3.37Å; T229-I233 VanDerWaalsContact O-CG1 3.27Å; T229-I233 WeakPolarHBondContact O-CG1 3.47Å; T229-I233 PolarHBondContact O-N 3.25Å; L230-I233 PolarHBondContact O-N 3.29Å; I233-Y237 WeakPolarHBondContact O-CB 3.21Å; I233-Y237 PolarHBondContact O-N 2.89Å
234	K	45.8	Very low	43.9	Very low	124 Å²	124	92.9 Å²	92.9	54%	0.539	46%	0.463	S	S	.	.	H	α-helix	trans	-66.1	-43.1	177.3	-171.9	173.4	-179.6	177.4	0	112.5	L230 L231 L232 Y237 D238	L230-K234 PolarHBondContact O-N 2.86Å; L231-K234 PolarHBondContact O-N 2.83Å; L232-K234 VanDerWaalsContact C-N 3.32Å; L232-K234 PolarHBondContact O-N 3.37Å; K234-Y237 WeakPolarHBondContact O-CB 3.3Å; K234-Y237 PolarHBondContact O-N 3.36Å; K234-D238 PolarHBondContact O-N 2.88Å
235	Y	44.5	Very low	43.6	Very low	142 Å²	142	94.7 Å²	94.7	56%	0.557	47%	0.473	S	S	*	.	H	α-helix	trans	-62.4	-44.8	177.2	178.7	-96.2	0	0	0	112.3	L231 L232 Y237 D238 T239	L231-Y235 WeakPolarHBondContact O-CB 3.42Å; L231-Y235 PolarHBondContact O-N 3.24Å; L232-Y235 PolarHBondContact O-N 3.42Å; Y235-Y237 VanDerWaalsContact C-N 3.28Å; Y235-Y237 PolarHBondContact O-N 3.32Å; Y235-D238 PolarHBondContact O-N 2.93Å; Y235-T239 HydrophobicContact CD1-CG2 4.38Å; Y235-T239 HydrophobicContact CE1-CG2 3.97Å; Y235-T239 HydrophobicContact CE2-CG2 4.24Å; Y235-T239 WeakPolarHBondContact O-CB 3.45Å; Y235-T239 WeakPolarHBondContact O-CG2 3.43Å; Y235-T239 PolarHBondContact O-N 3.33Å; Y235-T239 PolarHBondContact O-OG1 3.49Å
236	Q	40.2	Very low	42.9	Very low	134 Å²	134	97.2 Å²	97.2	63%	0.626	48%	0.482	S	S	*	.	H	α-helix	trans	-62.6	-35.9	174.9	-75.5	-172.7	-24.5	0	0	112	L232 T239 S240	L232-Q236 WeakPolarHBondContact O-CB 3.2Å; L232-Q236 WeakPolarHBondContact O-CG 3.45Å; L232-Q236 PolarHBondContact O-N 2.86Å; Q236-T239 WeakPolarHBondContact CA-OG1 3.3Å; Q236-T239 PolarHBondContact O-OG1 2.92Å; Q236-S240 PolarHBondContact O-N 3.06Å; Q236-S240 VanDerWaalsContact O-N 3.17Å
237	Y	45.5	Very low	42.3	Very low	115 Å²	115	95.4 Å²	95.4	45%	0.451	48%	0.48	S	S	.	.	H	α-helix	trans	-68.6	-47.1	176.4	-174.3	-98	0	0	0	112.5	I233 K234 Y235 T239 S240 K241	I233-Y237 WeakPolarHBondContact O-CB 3.21Å; I233-Y237 PolarHBondContact O-N 2.89Å; K234-Y237 WeakPolarHBondContact O-CB 3.3Å; K234-Y237 PolarHBondContact O-N 3.36Å; Y235-Y237 VanDerWaalsContact C-N 3.28Å; Y235-Y237 PolarHBondContact O-N 3.32Å; Y237-T239 VanDerWaalsContact C-N 3.34Å; Y237-T239 PolarHBondContact O-N 3.02Å; Y237-S240 PolarHBondContact O-N 3.34Å; Y237-S240 VanDerWaalsContact O-N 3.16Å; Y237-S240 PolarHBondContact O-OG 3.49Å; Y237-K241 PolarHBondContact O-N 3.48Å; Y237-K241 VanDerWaalsContact O-N 3.1Å
238	D	45.4	Very low	41.9	Very low	68 Å²	68	97.1 Å²	97.1	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-66.5	-34.6	-179.7	-74.6	-25.1	0	0	0	112.5	K234 Y235 K241 K242	K234-D238 PolarHBondContact O-N 2.88Å; Y235-D238 PolarHBondContact O-N 2.93Å; D238-K241 PolarHBondContact O-N 2.86Å; D238-K242 PolarHBondContact O-N 3.26Å
239	T	42.9	Very low	41.6	Very low	62 Å²	62	96.2 Å²	96.2	38%	0.38	49%	0.493	S	S	.	.	H	α-helix	trans	-67.1	-36.4	172.8	47.8	0	0	0	0	112.1	Y235 Q236 Y237 S243	Y235-T239 HydrophobicContact CD1-CG2 4.38Å; Y235-T239 HydrophobicContact CE1-CG2 3.97Å; Y235-T239 HydrophobicContact CE2-CG2 4.24Å; Y235-T239 WeakPolarHBondContact O-CB 3.45Å; Y235-T239 WeakPolarHBondContact O-CG2 3.43Å; Y235-T239 PolarHBondContact O-N 3.33Å; Y235-T239 PolarHBondContact O-OG1 3.49Å; Q236-T239 WeakPolarHBondContact CA-OG1 3.3Å; Q236-T239 PolarHBondContact O-OG1 2.92Å; Y237-T239 VanDerWaalsContact C-N 3.34Å; Y237-T239 PolarHBondContact O-N 3.02Å; T239-S243 PolarHBondContact O-N 3.33Å
240	S	39.4	Very low	41	Very low	59 Å²	59	96.8 Å²	96.8	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-68.4	-33.7	175.5	79.6	0	0	0	0	113.6	Q236 Y237 S243 S244	Q236-S240 PolarHBondContact O-N 3.06Å; Q236-S240 VanDerWaalsContact O-N 3.17Å; Y237-S240 PolarHBondContact O-N 3.34Å; Y237-S240 VanDerWaalsContact O-N 3.16Å; Y237-S240 PolarHBondContact O-OG 3.49Å; S240-S243 PolarHBondContact O-OG 2.94Å; S240-S244 PolarHBondContact O-N 3.46Å; S240-S244 PolarHBondContact O-OG 2.93Å
241	K	40.5	Very low	40.4	Very low	110 Å²	110	96.7 Å²	96.7	48%	0.478	50%	0.498	S	S	.	.	H	α-helix	trans	-74.2	-33.3	178.8	-161.5	174.5	-177.2	178.7	0	112	Y237 D238 S244 I245	Y237-K241 PolarHBondContact O-N 3.48Å; Y237-K241 VanDerWaalsContact O-N 3.1Å; D238-K241 PolarHBondContact O-N 2.86Å; K241-S244 PolarHBondContact O-OG 3.32Å; K241-S244 VanDerWaalsContact O-OG 3.1Å; K241-I245 HydrophobicContact CG-CD1 4.33Å; K241-I245 WeakPolarHBondContact O-CD1 3.46Å; K241-I245 WeakPolarHBondContact O-CG1 3.24Å; K241-I245 PolarHBondContact O-N 2.98Å
242	K	39.9	Very low	39.8	Very low	137 Å²	137	99.5 Å²	99.5	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-69.8	-36.6	174.3	-78.6	-179.5	177.5	179.3	0	112.4	D238 F246	D238-K242 PolarHBondContact O-N 3.26Å; K242-F246 PolarHBondContact O-N 3.48Å
243	S	36.6	Very low	39.4	Very low	74 Å²	74	103.9 Å²	103.9	52%	0.517	53%	0.529	S	S	.	.	H	α-helix	trans	-72.1	-35.3	178.7	63.5	0	0	0	0	113	T239 S240 I245 C247	T239-S243 PolarHBondContact O-N 3.33Å; S240-S243 PolarHBondContact O-OG 2.94Å; S243-I245 PolarHBondContact O-N 3.33Å; S243-C247 WeakPolarHBondContact O-CB 3.3Å; S243-C247 PolarHBondContact O-N 3.4Å; S243-C247 VanDerWaalsContact O-N 3.08Å
244	S	37.1	Very low	38.8	Very low	62 Å²	62	105.6 Å²	105.6	43%	0.434	54%	0.539	S	S	.	.	H	α-helix	trans	-69.5	-31.4	177.7	62.8	0	0	0	0	113.8	S240 K241 T248	S240-S244 PolarHBondContact O-N 3.46Å; S240-S244 PolarHBondContact O-OG 2.93Å; K241-S244 PolarHBondContact O-OG 3.32Å; K241-S244 VanDerWaalsContact O-OG 3.1Å; S244-T248 PolarHBondContact O-OG1 3.01Å
245	I	40.2	Very low	38.2	Very low	91 Å²	91	104.2 Å²	104.2	47%	0.467	55%	0.545	S	S	.	.	H	α-helix	trans	-81.1	-34.3	179	-63.6	168.3	0	0	0	111.2	K241 S243 T248 N249	K241-I245 HydrophobicContact CG-CD1 4.33Å; K241-I245 WeakPolarHBondContact O-CD1 3.46Å; K241-I245 WeakPolarHBondContact O-CG1 3.24Å; K241-I245 PolarHBondContact O-N 2.98Å; S243-I245 PolarHBondContact O-N 3.33Å; I245-T248 PolarHBondContact O-OG1 3.2Å; I245-N249 PolarHBondContact O-N 3.43Å
246	F	32.3	Very low	37.6	Very low	153 Å²	153	101.6 Å²	101.6	67%	0.671	55%	0.547	S	S	*	.	H	α-helix	trans	-70.2	-36.5	173.8	-112.1	-89.9	0	0	0	112.4	K242 T248 C250	K242-F246 PolarHBondContact O-N 3.48Å; F246-T248 PolarHBondContact O-N 3.36Å; F246-C250 WeakPolarHBondContact O-CB 3.14Å; F246-C250 PolarHBondContact O-N 3.21Å; F246-C250 VanDerWaalsContact O-N 3.13Å
247	C	32.8	Very low	37.2	Very low	79 Å²	79	99.9 Å²	99.9	53%	0.534	55%	0.546	S	S	.	.	H	α-helix	trans	-72.5	-28.9	-178.3	-151.4	0	0	0	0	113.1	S243 L251	S243-C247 WeakPolarHBondContact O-CB 3.3Å; S243-C247 PolarHBondContact O-N 3.4Å; S243-C247 VanDerWaalsContact O-N 3.08Å; C247-L251 WeakPolarHBondContact O-CD1 3.47Å; C247-L251 PolarHBondContact O-N 3.16Å
248	T	38	Very low	36.4	Very low	81 Å²	81	101.2 Å²	101.2	50%	0.497	57%	0.566	S	S	.	*	H	α-helix	trans	-82.8	-33.5	179	36.7	0	0	0	0	113	S244 I245 F246 N252	S244-T248 PolarHBondContact O-OG1 3.01Å; I245-T248 PolarHBondContact O-OG1 3.2Å; F246-T248 PolarHBondContact O-N 3.36Å; T248-N252 PolarHBondContact O-N 3.32Å; T248-N252 PolarHBondContact O-ND2 3.22Å
249	N	39.2	Very low	35.6	Very low	109 Å²	109	104 Å²	104	58%	0.583	59%	0.586	S	S	*	*	H	α-helix	trans	-82.7	-23.5	177	-79.5	-20.5	0	0	0	114.1	I245	I245-N249 PolarHBondContact O-N 3.43Å
250	C	34.1	Very low	35	Very low	73 Å²	73	107.9 Å²	107.9	49%	0.493	61%	0.605	S	S	.	*	H	α-helix	trans	-79.8	-33.9	171	-80.3	0	0	0	0	112.9	F246 L254	F246-C250 WeakPolarHBondContact O-CB 3.14Å; F246-C250 PolarHBondContact O-N 3.21Å; F246-C250 VanDerWaalsContact O-N 3.13Å; C250-L254 PolarHBondContact O-N 3.12Å
251	L	33.8	Very low	34.7	Very low	119 Å²	119	111.3 Å²	111.3	62%	0.623	62%	0.623	S	S	*	*	H	α-helix	trans	-72.3	-33.3	177.8	-109.3	95.8	0	0	0	113.5	C247 S255	C247-L251 WeakPolarHBondContact O-CD1 3.47Å; C247-L251 PolarHBondContact O-N 3.16Å; L251-S255 PolarHBondContact O-N 2.92Å; L251-S255 PolarHBondContact O-OG 3.46Å; L251-S255 VanDerWaalsContact O-OG 3.12Å
252	N	35.9	Very low	34.2	Very low	113 Å²	113	113.1 Å²	113.1	60%	0.604	64%	0.638	S	S	*	*	H	α-helix	trans	-80.7	-17.2	-179.8	-72.9	-13.3	0	0	0	113.7	T248 S255 S256	T248-N252 PolarHBondContact O-N 3.32Å; T248-N252 PolarHBondContact O-ND2 3.22Å; N252-S255 PolarHBondContact O-OG 3.3Å; N252-S256 PolarHBondContact O-OG 2.95Å
253	K	36.3	Very low	33.9	Very low	164 Å²	164	112 Å²	112	71%	0.713	64%	0.643	S	S	*	*	H	α-helix	trans	-92	-21.6	175.7	-120.6	173.5	179.8	-179.3	0	113.3	T257	K253-T257 PolarHBondContact O-OG1 3.1Å
254	L	33.9	Very low	33.7	Very low	149 Å²	149	114.7 Å²	114.7	78%	0.78	66%	0.656	S	S	*	*	H	α-helix	trans	-86.2	-18.6	174.3	-121.1	80	0	0	0	113.5	C250	C250-L254 PolarHBondContact O-N 3.12Å
255	S	33	Very low	33.4	Very low	94 Å²	94	116.1 Å²	116.1	66%	0.657	67%	0.666	S	S	*	*	S	Bend	trans	-90.2	-4.3	-178.8	56.9	0	0	0	0	114.5	L251 N252	L251-S255 PolarHBondContact O-N 2.92Å; L251-S255 PolarHBondContact O-OG 3.46Å; L251-S255 VanDerWaalsContact O-OG 3.12Å; N252-S255 PolarHBondContact O-OG 3.3Å
256	S	33.8	Very low	33	Very low	88 Å²	88	117.3 Å²	117.3	62%	0.615	68%	0.678	S	S	*	*	S	Bend	trans	-116.5	4.2	-174.3	48.5	0	0	0	0	114.7	N252	N252-S256 PolarHBondContact O-OG 2.95Å
257	T	30.5	Very low	32.8	Very low	98 Å²	98	116.3 Å²	116.3	60%	0.601	68%	0.68	S	S	*	*	S	Bend	trans	-136.3	132.5	176.2	38.4	0	0	0	0	110.5	K253	K253-T257 PolarHBondContact O-OG1 3.1Å
258	T	29.5	Very low	32.8	Very low	142 Å²	142	117.8 Å²	117.8	87%	0.871	69%	0.687	S	S	*	*			trans	85	60.3	171	62.1	0	0	0	0	118.8
259	T	27.3	Very low	32.3	Very low	128 Å²	128	119.7 Å²	119.7	79%	0.785	70%	0.698	S	S	*	*			trans	-68.1	131.3	130.2	43.8	0	0	0	0	109.7
260	N	30.4	Very low	31.9	Very low	143 Å²	143	120 Å²	120	77%	0.765	70%	0.704	S	S	*	*			trans	114.4	120.2	158.7	-62.8	-12.3	0	0	0	118.4
261	T	32.9	Very low	31.6	Very low	130 Å²	130	121.9 Å²	121.9	80%	0.798	71%	0.714	S	S	*	*			trans	82.4	89.9	144.9	55.6	0	0	0	0	121.3
262	N	30.5	Very low	31.5	Very low	148 Å²	148	123.9 Å²	123.9	79%	0.791	73%	0.725	S	S	*	*				41	122.5	120.2	-68.4	-0.7	0	0	0	122.5
263	T	33.5	Very low	31.1	Very low	115 Å²	115	126.2 Å²	126.2	71%	0.706	74%	0.737	S	S	*	*			trans	80.8	110	130.6	55.2	0	0	0	0	121.7
264	T	32.1	Very low	30.9	Very low	129 Å²	129	123.7 Å²	123.7	79%	0.791	74%	0.74	S	S	*	*			trans	56.7	135.9	130.7	57.8	0	0	0	0	118.9
265	S	30.7	Very low	30.6	Very low	93 Å²	93	121.1 Å²	121.1	65%	0.65	74%	0.735	S	S	*	*			cis	176.1	152.6	10.2	41	0	0	0	0	107.5
266	T	31.7	Very low	30.3	Very low	115 Å²	115	123.7 Å²	123.7	71%	0.706	74%	0.741	S	S	*	*			trans	59.2	142	147.3	56.1	0	0	0	0	119.2
267	D	30	Very low	30	Very low	132 Å²	132	126.5 Å²	126.5	71%	0.706	75%	0.748	S	S	*	*			cis	-173.2	154.1	-0.2	-109.8	-21.2	0	0	0	108.6
268	T	30.9	Very low	30	Very low	111 Å²	111	128.5 Å²	128.5	68%	0.681	75%	0.753	S	S	*	*			trans	66.7	121.6	142.4	59.8	0	0	0	0	123.7
269	T	28.6	Very low	29.8	Very low	120 Å²	120	127.4 Å²	127.4	74%	0.736	75%	0.746	S	S	*	*				59.3	136.3	129.8	62.3	0	0	0	0	118.7
270	T	29.7	Very low	30	Very low	116 Å²	116	128 Å²	128	71%	0.712	75%	0.75	S	S	*	*			cis	-175.5	150.4	30.1	9.2	0	0	0	0	107.6
271	T	28.6	Very low	29.7	Very low	113 Å²	113	128.1 Å²	128.1	69%	0.693	75%	0.751	S	S	*	*			trans	26.5	122.2	148.8	58	0	0	0	0	120.1
272	D	31.3	Very low	29.6	Very low	160 Å²	160	130.8 Å²	130.8	86%	0.856	75%	0.754	S	S	*	*				-173.1	144.6	113.9	-90	-20	0	0	0	113.5
273	N	27.9	Very low	29.4	Very low	163 Å²	163	128.8 Å²	128.8	87%	0.872	75%	0.752	S	S	*	*			trans	-75.1	130	177.3	-74.1	-41.1	0	0	0	111.3
274	S	32.3	Very low	29	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	76%	0.756	S	S	*	*			trans	-170	115.3	144	56.2	0	0	0	0	112.6
275	S	27.2	Very low	28.7	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	76%	0.758	S	S	*	*			trans	17.5	131.5	140.8	58.2	0	0	0	0	121.3
276	N	26.2	Very low	28.4	Very low	147 Å²	147	133 Å²	133	79%	0.786	76%	0.763	S	S	*	*			trans	72.4	128.3	143.6	-59.2	-17.4	0	0	0	117.4
277	I	28.8	Very low	28.1	Very low	148 Å²	148	136.6 Å²	136.6	76%	0.759	77%	0.771	S	S	*	*				159.8	119.9	124.5	-82.6	163.6	0	0	0	110.7
278	I	30.7	Very low	27.9	Very low	139 Å²	139	136.4 Å²	136.4	71%	0.713	77%	0.769	S	S	*	*			trans	75.5	98	149.2	-61.5	169.7	0	0	0	117
279	T	24.7	Very low	27.6	Very low	119 Å²	119	138.9 Å²	138.9	73%	0.73	77%	0.772	S	S	*	*				49.2	103.3	83.2	66.8	0	0	0	0	115.7
280	T	31.7	Very low	27.5	Very low	140 Å²	140	141.9 Å²	141.9	86%	0.859	78%	0.777	S	S	*	*			trans	-165.1	129	132.4	33.4	0	0	0	0	110.9
281	D	24.3	Very low	27.3	Very low	146 Å²	146	141.1 Å²	141.1	78%	0.781	78%	0.777	S	S	*	*			trans	-62.9	137.5	176.2	-67.2	-56.2	0	0	0	112.9
282	H	31.2	Very low	27.1	Very low	186 Å²	186	143.8 Å²	143.8	86%	0.861	79%	0.787	S	S	*	*			trans	-143.1	87.9	146.1	-86.9	-59.4	0	0	0	110.1	S284	H282-S284 PolarHBondContact O-N 3.25Å
283	S	25	Very low	26.8	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	78%	0.783	S	S	*	*			trans	-60.3	118.7	151.2	51.6	0	0	0	0	110.1
284	S	25.1	Very low	26.6	Very low	114 Å²	114	141.6 Å²	141.6	80%	0.797	77%	0.771	S	S	*	*			trans	145.3	147.4	146.9	59.7	0	0	0	0	111.9	H282	H282-S284 PolarHBondContact O-N 3.25Å
285	M	26	Very low	26.4	Very low	171 Å²	171	141.3 Å²	141.3	84%	0.842	77%	0.769	S	S	*	*			trans	82.4	75.7	-179.8	-67.4	-165.1	72.8	0	0	118.1
286	L	25.1	Very low	26.5	Very low	141 Å²	141	144 Å²	144	74%	0.738	78%	0.775	S	S	*	*				-163.6	75.9	102.6	-139.9	91.6	0	0	0	110.8	I288	L286-I288 HydrophobicContact CD2-CD1 3.66Å; L286-I288 HydrophobicContact CD2-CG1 4.08Å; L286-I288 HydrophobicContact CG-CD1 4Å; L286-I288 HydrophobicContact CG-CG1 4.1Å; L286-I288 PolarHBondContact O-N 2.82Å; L286-I288 VanDerWaalsContact O-N 3.14Å
287	H	24.1	Very low	26.6	Very low	189 Å²	189	141.3 Å²	141.3	88%	0.875	77%	0.768	S	S	*	*			trans	-67.9	97.6	157.9	-101.1	-84.4	0	0	0	108.1
288	I	26.6	Very low	26.6	Very low	129 Å²	129	138.5 Å²	138.5	66%	0.662	76%	0.758	S	S	*	*			trans	-126.4	95.9	161.6	-61.5	-179.4	0	0	0	108.1	L286	L286-I288 HydrophobicContact CD2-CD1 3.66Å; L286-I288 HydrophobicContact CD2-CG1 4.08Å; L286-I288 HydrophobicContact CG-CD1 4Å; L286-I288 HydrophobicContact CG-CG1 4.1Å; L286-I288 PolarHBondContact O-N 2.82Å; L286-I288 VanDerWaalsContact O-N 3.14Å
289	H	24.3	Very low	27	Very low	162 Å²	162	135.6 Å²	135.6	75%	0.75	74%	0.74	S	S	*	*			trans	56.2	97.5	152.7	-84.2	-82.9	0	0	0	120.1	S291	H289-S291 PolarHBondContact O-N 2.75Å
290	H	26.2	Very low	27.7	Very low	184 Å²	184	135.6 Å²	135.6	85%	0.852	73%	0.734	S	S	*	*				-31.6	117.5	129.3	-86.4	-96.1	0	0	0	112.2
291	S	25.6	Very low	28.2	Very low	99 Å²	99	130.6 Å²	130.6	69%	0.692	70%	0.704	S	S	*	*			trans	178.1	-1.7	152	54.5	0	0	0	0	117	H289	H289-S291 PolarHBondContact O-N 2.75Å
292	N	25.3	Very low	29.1	Very low	169 Å²	169	129 Å²	129	90%	0.904	70%	0.695	S	S	*	*			trans	-112.5	71.1	179.3	-80.8	-18.8	0	0	0	112.8
293	M	24.4	Very low	29.9	Very low	159 Å²	159	123 Å²	123	78%	0.783	67%	0.673	S	S	*	*			trans	-109.9	43.7	172.2	-146	-173.3	177.4	0	0	111.1
294	L	24.6	Very low	31	Very low	119 Å²	119	121.7 Å²	121.7	62%	0.623	66%	0.664	S	S	*	*			trans	-150.6	93.6	176.5	-91.2	109.6	0	0	0	111.5
295	S	28	Very low	32.4	Very low	103 Å²	103	118.3 Å²	118.3	72%	0.72	64%	0.637	S	S	*	*			trans	177.6	62.7	146.8	46.2	0	0	0	0	109.9	S297	S295-S297 PolarHBondContact O-N 3.47Å
296	L	28.4	Very low	33.7	Very low	153 Å²	153	113.6 Å²	113.6	80%	0.801	61%	0.614	S	S	*	*			trans	-75.9	64.7	159.4	-158.5	75	0	0	0	108.2
297	S	27.8	Very low	35	Very low	91 Å²	91	108.8 Å²	108.8	64%	0.636	59%	0.589	S	S	*	*			trans	-112.7	55.7	175	63.7	0	0	0	0	108.6	S295	S295-S297 PolarHBondContact O-N 3.47Å
298	T	30.3	Very low	36.4	Very low	89 Å²	89	105.8 Å²	105.8	55%	0.546	57%	0.574	S	S	.	*			trans	-143.3	59.8	169.7	54.1	0	0	0	0	109.1
299	F	38.5	Very low	37.6	Very low	78 Å²	78	101.6 Å²	101.6	34%	0.342	56%	0.556	S	S	.	*			trans	-91	105.7	155.5	-142.9	-94	0	0	0	105.6	P301 M549 I552	F299-P301 HydrophobicContact CD1-CB 4.19Å; F299-P301 HydrophobicContact CD1-CG 4.27Å; F299-P301 WeakPolarHBondContact O-CD 3.47Å; F299-M549 HydrophobicContact CD1-CE 4.01Å; F299-M549 HydrophobicContact CE1-CE 3.56Å; F299-M549 HydrophobicContact CE1-SD 4.05Å; F299-M549 HydrophobicContact CZ-CE 4.3Å; F299-M549 HydrophobicContact CZ-SD 4.48Å; F299-I552 HydrophobicContact CZ-CG2 4.33Å
300	I	38.5	Very low	39	Very low	119 Å²	119	96.3 Å²	96.3	61%	0.61	54%	0.54	S	S	*	.			trans	-81.8	100.5	160.3	-63.5	168.1	0	0	0	103.2
301	P	44.1	Very low	40.4	Very low	34 Å²	34	89.8 Å²	89.8	22%	0.221	51%	0.513	C	S	.	.			trans	-74.8	134	175.3	0.3	20.3	0	0	0	106.2	F299 I306	F299-P301 HydrophobicContact CD1-CB 4.19Å; F299-P301 HydrophobicContact CD1-CG 4.27Å; F299-P301 WeakPolarHBondContact O-CD 3.47Å; P301-I306 HydrophobicContact CB-CD1 3.93Å; P301-I306 HydrophobicContact CB-CG1 3.81Å; P301-I306 HydrophobicContact CG-CD1 3.79Å; P301-I306 HydrophobicContact CG-CG1 4.11Å
302	D	42.5	Very low	41.9	Very low	112 Å²	112	87.2 Å²	87.2	60%	0.599	49%	0.49	S	S	*	.			trans	-50.8	131.2	171.7	-76.7	-37.5	0	0	0	109	S304 L305	D302-S304 PolarHBondContact O-N 3.23Å; D302-L305 PolarHBondContact O-N 3.27Å
303	P	48.2	Very low	43.4	Very low	61 Å²	61	81 Å²	81	40%	0.396	46%	0.456	S	S	.	.	H	α-helix	trans	-57.5	-23.3	-176.6	18	-29.3	0	0	0	112.7	L307	P303-L307 VanDerWaalsContact O-CB 3.28Å; P303-L307 WeakPolarHBondContact O-CB 3.42Å; P303-L307 PolarHBondContact O-N 2.88Å; P303-L307 VanDerWaalsContact O-N 3.12Å
304	S	48.6	Very low	44.9	Very low	80 Å²	80	77.1 Å²	77.1	56%	0.559	44%	0.439	S	S	*	.	H	α-helix	trans	-62.6	-37.3	172.5	53.8	0	0	0	0	113.1	D302 F308	D302-S304 PolarHBondContact O-N 3.23Å; S304-F308 WeakPolarHBondContact O-CB 3.23Å; S304-F308 PolarHBondContact O-N 3.19Å
305	L	52.5	Low	46.3	Very low	43 Å²	43	75.9 Å²	75.9	23%	0.225	43%	0.432	C	S	.	.	H	α-helix	trans	-79.9	-36.8	-175.7	-156.9	86.4	0	0	0	112.2	D302 L307 F308 C309 I548 M549	D302-L305 PolarHBondContact O-N 3.27Å; L305-L307 VanDerWaalsContact C-N 3.28Å; L305-L307 PolarHBondContact O-N 3.46Å; L305-F308 PolarHBondContact O-N 3.36Å; L305-C309 PolarHBondContact O-N 3.39Å; L305-C309 PolarHBondContact O-SG 3.43Å; L305-C309 VanDerWaalsContact O-SG 3.41Å; L305-I548 HydrophobicContact CD1-CG2 4.45Å; L305-M549 HydrophobicContact CD2-CE 4.02Å; L305-M549 HydrophobicContact CD2-CG 3.73Å; L305-M549 HydrophobicContact CD2-SD 2.99Å; L305-M549 WeakPolarHBondContact CD2-SD 3.2Å; L305-M549 HydrophobicContact CG-SD 4.47Å
306	I	54	Low	47.5	Very low	71 Å²	71	72.3 Å²	72.3	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-41.8	171.5	-56.9	176.3	0	0	0	109.7	L231 P301 C309 A310	L231-I306 HydrophobicContact CD1-CD1 4.01Å; P301-I306 HydrophobicContact CB-CD1 3.93Å; P301-I306 HydrophobicContact CB-CG1 3.81Å; P301-I306 HydrophobicContact CG-CD1 3.79Å; P301-I306 HydrophobicContact CG-CG1 4.11Å; I306-C309 PolarHBondContact O-N 3.02Å; I306-A310 WeakPolarHBondContact O-CB 3.25Å; I306-A310 PolarHBondContact O-N 3.38Å
307	L	52.3	Low	48.7	Very low	40 Å²	40	66.7 Å²	66.7	21%	0.209	37%	0.374	C	S	.	.	H	α-helix	trans	-64	-42.4	176.1	-174.5	65	0	0	0	111.8	F220 I224 P303 L305 A310 V311	F220-L307 HydrophobicContact CE1-CD2 4.4Å; F220-L307 HydrophobicContact CE2-CD1 3.61Å; F220-L307 HydrophobicContact CE2-CG 4.12Å; F220-L307 HydrophobicContact CZ-CD1 3.71Å; F220-L307 HydrophobicContact CZ-CD2 3.78Å; F220-L307 HydrophobicContact CZ-CG 3.77Å; I224-L307 HydrophobicContact CD1-CD1 4.25Å; I224-L307 HydrophobicContact CD1-CD2 3.78Å; I224-L307 HydrophobicContact CG1-CD1 3.45Å; I224-L307 VanDerWaalsContact CG1-CD1 3.45Å; I224-L307 HydrophobicContact CG1-CD2 3.72Å; I224-L307 HydrophobicContact CG1-CG 4.23Å; P303-L307 VanDerWaalsContact O-CB 3.28Å; P303-L307 WeakPolarHBondContact O-CB 3.42Å; P303-L307 PolarHBondContact O-N 2.88Å; P303-L307 VanDerWaalsContact O-N 3.12Å; L305-L307 VanDerWaalsContact C-N 3.28Å; L305-L307 PolarHBondContact O-N 3.46Å; L307-A310 PolarHBondContact O-N 2.98Å; L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 3.25Å
308	F	53.1	Low	49.7	Very low	126 Å²	126	65.9 Å²	65.9	55%	0.553	36%	0.363	S	S	*	.	H	α-helix	trans	-62.4	-44.5	177.5	-156.3	-91.7	0	0	0	111.8	S304 L305 A310 V311 Q312	S304-F308 WeakPolarHBondContact O-CB 3.23Å; S304-F308 PolarHBondContact O-N 3.19Å; L305-F308 PolarHBondContact O-N 3.36Å; F308-A310 PolarHBondContact O-N 3.29Å; F308-V311 PolarHBondContact O-N 2.92Å; F308-Q312 HydrophobicContact CD1-CG 4.34Å; F308-Q312 HydrophobicContact CE1-CG 4.27Å; F308-Q312 PolarHBondContact O-N 2.82Å
309	C	53.2	Low	50.4	Low	42 Å²	42	64.7 Å²	64.7	28%	0.284	36%	0.357	S	S	.	.	H	α-helix	trans	-62.4	-40.8	173.1	-71.6	0	0	0	0	112	L305 I306 Q312 L313	L305-C309 PolarHBondContact O-N 3.39Å; L305-C309 PolarHBondContact O-SG 3.43Å; L305-C309 VanDerWaalsContact O-SG 3.41Å; I306-C309 PolarHBondContact O-N 3.02Å; C309-Q312 PolarHBondContact O-N 3.4Å; C309-L313 WeakPolarHBondContact O-CB 3.25Å; C309-L313 WeakPolarHBondContact O-CD1 3.27Å; C309-L313 WeakPolarHBondContact O-CG 3.45Å; C309-L313 PolarHBondContact O-N 2.91Å
310	A	53.7	Low	50.8	Low	51 Å²	51	65.3 Å²	65.3	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-66.1	-38.2	177.3	0	0	0	0	0	112.5	I306 L307 F308 L313 L314	I306-A310 WeakPolarHBondContact O-CB 3.25Å; I306-A310 PolarHBondContact O-N 3.38Å; L307-A310 PolarHBondContact O-N 2.98Å; F308-A310 PolarHBondContact O-N 3.29Å; A310-L313 PolarHBondContact O-N 3.01Å; A310-L314 WeakPolarHBondContact O-CB 3.42Å; A310-L314 PolarHBondContact O-N 3.32Å
311	V	55.3	Low	51.1	Low	46 Å²	46	64.7 Å²	64.7	28%	0.279	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-46	173.9	173	0	0	0	0	111.1	F220 L307 F308 L313 L314 I315	F220-V311 HydrophobicContact CD2-CG2 4.09Å; F220-V311 HydrophobicContact CE2-CG2 3.11Å; F220-V311 HydrophobicContact CZ-CG2 3.59Å; L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 3.25Å; F308-V311 PolarHBondContact O-N 2.92Å; V311-L313 VanDerWaalsContact C-N 3.28Å; V311-L313 PolarHBondContact O-N 2.83Å; V311-L314 WeakPolarHBondContact O-CB 3.28Å; V311-L314 PolarHBondContact O-N 3.08Å; V311-I315 HydrophobicContact CG1-CD1 3.85Å; V311-I315 HydrophobicContact CG1-CG1 4.49Å; V311-I315 VanDerWaalsContact O-CG1 3.29Å; V311-I315 WeakPolarHBondContact O-CG1 3.39Å; V311-I315 PolarHBondContact O-N 3.4Å
312	Q	56.4	Low	50.9	Low	46 Å²	46	64.4 Å²	64.4	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-37.1	176.2	-79.2	175.3	-47.5	0	0	111.8	F308 C309 I315 L316 T545	F308-Q312 HydrophobicContact CD1-CG 4.34Å; F308-Q312 HydrophobicContact CE1-CG 4.27Å; F308-Q312 PolarHBondContact O-N 2.82Å; C309-Q312 PolarHBondContact O-N 3.4Å; Q312-I315 PolarHBondContact O-N 2.84Å; Q312-L316 VanDerWaalsContact O-CB 3.32Å; Q312-L316 WeakPolarHBondContact O-CB 3.43Å; Q312-L316 PolarHBondContact O-N 3.34Å; Q312-T545 VanDerWaalsContact OE1-CG2 3.22Å
313	L	56.3	Low	50.8	Low	37 Å²	37	64 Å²	64	19%	0.194	36%	0.355	C	S	.	.	H	α-helix	trans	-70.3	-35.4	174	-73.9	165.2	0	0	0	112.7	C309 A310 V311 L316 M317 I590 L593	C309-L313 WeakPolarHBondContact O-CB 3.25Å; C309-L313 WeakPolarHBondContact O-CD1 3.27Å; C309-L313 WeakPolarHBondContact O-CG 3.45Å; C309-L313 PolarHBondContact O-N 2.91Å; A310-L313 PolarHBondContact O-N 3.01Å; V311-L313 VanDerWaalsContact C-N 3.28Å; V311-L313 PolarHBondContact O-N 2.83Å; L313-L316 HydrophobicContact CD2-CD2 3.92Å; L313-L316 WeakPolarHBondContact O-CB 3.06Å; L313-L316 PolarHBondContact O-N 2.84Å; L313-M317 WeakPolarHBondContact O-CB 3.39Å; L313-M317 WeakPolarHBondContact O-CG 3.28Å; L313-M317 PolarHBondContact O-N 3.03Å; L313-I590 HydrophobicContact CD2-CD1 4.35Å; L313-I590 HydrophobicContact CD2-CG1 3.84Å; L313-I590 HydrophobicContact CD2-CG2 4.27Å; L313-L593 HydrophobicContact CD1-CD1 4.08Å
314	L	57.1	Low	50.3	Low	79 Å²	79	64.8 Å²	64.8	41%	0.414	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-44.1	172.7	-170.4	88.7	0	0	0	110.8	F216 A310 V311 L316 M317 L318	F216-L314 HydrophobicContact CE1-CD2 4.44Å; A310-L314 WeakPolarHBondContact O-CB 3.42Å; A310-L314 PolarHBondContact O-N 3.32Å; V311-L314 WeakPolarHBondContact O-CB 3.28Å; V311-L314 PolarHBondContact O-N 3.08Å; L314-L316 VanDerWaalsContact C-N 3.33Å; L314-M317 PolarHBondContact O-N 2.9Å; L314-L318 HydrophobicContact CD2-CD1 4.26Å; L314-L318 HydrophobicContact CG-CD1 4.14Å; L314-L318 WeakPolarHBondContact O-CB 3.43Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.39Å; L314-L318 PolarHBondContact O-N 2.94Å
315	I	54.6	Low	49.7	Very low	93 Å²	93	65.3 Å²	65.3	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-43.1	174.9	-66.9	165.6	0	0	0	110	V311 Q312 M317 L318 C319	V311-I315 HydrophobicContact CG1-CD1 3.85Å; V311-I315 HydrophobicContact CG1-CG1 4.49Å; V311-I315 VanDerWaalsContact O-CG1 3.29Å; V311-I315 WeakPolarHBondContact O-CG1 3.39Å; V311-I315 PolarHBondContact O-N 3.4Å; Q312-I315 PolarHBondContact O-N 2.84Å; I315-M317 PolarHBondContact O-N 3.05Å; I315-L318 PolarHBondContact O-N 3.39Å; I315-C319 WeakPolarHBondContact O-CB 3.21Å; I315-C319 PolarHBondContact O-N 2.88Å; I315-C319 PolarHBondContact O-SG 3.38Å
316	L	52.2	Low	48.7	Very low	28 Å²	28	70.4 Å²	70.4	15%	0.147	37%	0.369	C	S	.	.	H	α-helix	trans	-56.3	-48.5	174	-175.5	71.6	0	0	0	111.7	Q312 L313 L314 C319 F320 I538	Q312-L316 VanDerWaalsContact O-CB 3.32Å; Q312-L316 WeakPolarHBondContact O-CB 3.43Å; Q312-L316 PolarHBondContact O-N 3.34Å; L313-L316 HydrophobicContact CD2-CD2 3.92Å; L313-L316 WeakPolarHBondContact O-CB 3.06Å; L313-L316 PolarHBondContact O-N 2.84Å; L314-L316 VanDerWaalsContact C-N 3.33Å; L316-C319 PolarHBondContact O-N 3Å; L316-F320 HydrophobicContact CD1-CD2 4.16Å; L316-F320 HydrophobicContact CD1-CE2 3.8Å; L316-F320 HydrophobicContact CG-CD2 4.01Å; L316-F320 HydrophobicContact CG-CE2 3.98Å; L316-F320 VanDerWaalsContact O-CD2 3.29Å; L316-F320 WeakPolarHBondContact O-CD2 3.4Å; L316-F320 PolarHBondContact O-N 3.32Å; L316-I538 HydrophobicContact CD1-CB 3.94Å; L316-I538 HydrophobicContact CD1-CD1 3.35Å; L316-I538 HydrophobicContact CD1-CG1 3.41Å; L316-I538 VanDerWaalsContact CD1-CG1 3.41Å; L316-I538 HydrophobicContact CD1-CG2 3.28Å
317	M	53.3	Low	47.6	Very low	35 Å²	35	74.6 Å²	74.6	17%	0.172	39%	0.387	C	S	.	.	H	α-helix	trans	-68.1	-37.8	-179.8	-69.5	-60	-73.3	0	0	112.2	L313 L314 I315 C319 F320 M321 M594 L597	L313-M317 WeakPolarHBondContact O-CB 3.39Å; L313-M317 WeakPolarHBondContact O-CG 3.28Å; L313-M317 PolarHBondContact O-N 3.03Å; L314-M317 PolarHBondContact O-N 2.9Å; I315-M317 PolarHBondContact O-N 3.05Å; M317-C319 VanDerWaalsContact C-N 3.35Å; M317-F320 PolarHBondContact O-N 3.31Å; M317-M321 WeakPolarHBondContact O-CB 3.1Å; M317-M321 WeakPolarHBondContact O-CG 3.49Å; M317-M321 PolarHBondContact O-N 2.83Å; M317-M594 HydrophobicContact CE-CG 4.43Å; M317-M594 HydrophobicContact SD-CG 4.4Å; M317-L597 HydrophobicContact CE-CB 4.13Å; M317-L597 HydrophobicContact CE-CD1 3.78Å; M317-L597 HydrophobicContact CE-CD2 3.53Å; M317-L597 HydrophobicContact CE-CG 4Å; M317-L597 HydrophobicContact CG-CD1 4.16Å
318	L	49.4	Very low	46.5	Very low	74 Å²	74	78.4 Å²	78.4	39%	0.387	40%	0.403	S	S	.	.	H	α-helix	trans	-63.9	-41	173.5	-73.5	165.4	0	0	0	111.1	F216 L314 I315 M321 T322	F216-L318 HydrophobicContact CE1-CD1 4.24Å; F216-L318 HydrophobicContact CZ-CD1 4.4Å; L314-L318 HydrophobicContact CD2-CD1 4.26Å; L314-L318 HydrophobicContact CG-CD1 4.14Å; L314-L318 WeakPolarHBondContact O-CB 3.43Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.39Å; L314-L318 PolarHBondContact O-N 2.94Å; I315-L318 PolarHBondContact O-N 3.39Å; L318-M321 PolarHBondContact O-N 3.49Å; L318-T322 WeakPolarHBondContact O-CG2 3.21Å; L318-T322 PolarHBondContact O-N 3.12Å; L318-T322 PolarHBondContact O-OG1 3.27Å
319	C	45.6	Very low	45.4	Very low	64 Å²	64	79.9 Å²	79.9	43%	0.432	41%	0.412	S	S	.	.	H	α-helix	trans	-66.9	-35	175.7	-71	0	0	0	0	113.3	I315 L316 M317 T322	I315-C319 WeakPolarHBondContact O-CB 3.21Å; I315-C319 PolarHBondContact O-N 2.88Å; I315-C319 PolarHBondContact O-SG 3.38Å; L316-C319 PolarHBondContact O-N 3Å; M317-C319 VanDerWaalsContact C-N 3.35Å; C319-T322 WeakPolarHBondContact CA-OG1 3.49Å; C319-T322 PolarHBondContact O-OG1 2.86Å
320	F	45.8	Very low	44.2	Very low	91 Å²	91	86.7 Å²	86.7	40%	0.399	44%	0.439	S	S	.	.	H	α-helix	trans	-72.6	-30.4	173.7	-89.2	-71.1	0	0	0	113	L316 M317 M535 I538	L316-F320 HydrophobicContact CD1-CD2 4.16Å; L316-F320 HydrophobicContact CD1-CE2 3.8Å; L316-F320 HydrophobicContact CG-CD2 4.01Å; L316-F320 HydrophobicContact CG-CE2 3.98Å; L316-F320 VanDerWaalsContact O-CD2 3.29Å; L316-F320 WeakPolarHBondContact O-CD2 3.4Å; L316-F320 PolarHBondContact O-N 3.32Å; M317-F320 PolarHBondContact O-N 3.31Å; F320-M535 HydrophobicContact CE1-SD 4.11Å; F320-M535 HydrophobicContact CZ-CE 4.23Å; F320-M535 HydrophobicContact CZ-SD 3.65Å; F320-I538 HydrophobicContact CE2-CD1 4.48Å
321	M	45.2	Very low	42.9	Very low	106 Å²	106	94.8 Å²	94.8	52%	0.522	46%	0.459	S	S	.	.	H	α-helix	trans	-78.6	-25.2	176.6	-69.3	-68.1	-177.4	0	0	112.5	M317 L318 V323 L597 L601	M317-M321 WeakPolarHBondContact O-CB 3.1Å; M317-M321 WeakPolarHBondContact O-CG 3.49Å; M317-M321 PolarHBondContact O-N 2.83Å; L318-M321 PolarHBondContact O-N 3.49Å; M321-V323 VanDerWaalsContact C-N 3.25Å; M321-V323 PolarHBondContact O-N 3.39Å; M321-L597 HydrophobicContact CE-CD2 4.31Å; M321-L601 HydrophobicContact CE-CD1 3.45Å; M321-L601 VanDerWaalsContact CE-CD1 3.45Å
322	T	40.4	Very low	41.7	Very low	28 Å²	28	100.7 Å²	100.7	17%	0.172	48%	0.483	C	S	.	.			trans	-81.6	68.6	169.7	56	0	0	0	0	110.6	L318 C319 P324 L511	L318-T322 WeakPolarHBondContact O-CG2 3.21Å; L318-T322 PolarHBondContact O-N 3.12Å; L318-T322 PolarHBondContact O-OG1 3.27Å; C319-T322 WeakPolarHBondContact CA-OG1 3.49Å; C319-T322 PolarHBondContact O-OG1 2.86Å; T322-P324 WeakPolarHBondContact O-CD 3.17Å; T322-L511 HydrophobicContact CG2-CB 4.19Å
323	V	39.3	Very low	40.4	Very low	103 Å²	103	106.9 Å²	106.9	62%	0.624	51%	0.514	S	S	*	.			trans	-77	111.3	162.5	177.4	0	0	0	0	107.2	M321 H325	M321-V323 VanDerWaalsContact C-N 3.25Å; M321-V323 PolarHBondContact O-N 3.39Å; V323-H325 PolarHBondContact O-N 3.31Å
324	P	37.8	Very low	39.1	Very low	78 Å²	78	110.3 Å²	110.3	51%	0.506	54%	0.536	S	S	.	.			trans	-70.7	117.5	175	28.6	-30.4	0	0	0	108.5	T322 R326	T322-P324 WeakPolarHBondContact O-CD 3.17Å; P324-R326 PolarHBondContact O-N 2.8Å
325	H	36.4	Very low	37.6	Very low	90 Å²	90	113.3 Å²	113.3	42%	0.417	55%	0.553	S	S	.	*			trans	-59.6	128.7	175.6	-120.4	-67.5	0	0	0	109.9	V323 H327	V323-H325 PolarHBondContact O-N 3.31Å; H325-H327 PolarHBondContact O-N 3.44Å; H325-H327 VanDerWaalsContact O-N 3.08Å
326	R	30.4	Very low	36.5	Very low	150 Å²	150	117 Å²	117	57%	0.566	57%	0.568	S	S	*	*			trans	-57.4	109.9	173.3	-79.1	-178.5	-177.8	176.4	-0.5	110.6	P324 H328	P324-R326 PolarHBondContact O-N 2.8Å; R326-H328 PolarHBondContact O-N 3.16Å
327	H	31.4	Very low	35.3	Very low	159 Å²	159	124.7 Å²	124.7	74%	0.736	60%	0.596	S	S	*	*			trans	-82.1	95.1	151.9	-83.5	-70.2	0	0	0	108.3	H325 H329	H325-H327 PolarHBondContact O-N 3.44Å; H325-H327 VanDerWaalsContact O-N 3.08Å; H327-H329 PolarHBondContact O-N 3.02Å
328	H	29.6	Very low	34.1	Very low	120 Å²	120	129 Å²	129	56%	0.556	62%	0.62	S	S	*	*			trans	-85.7	88.7	162.5	-97.9	-49.2	0	0	0	108.8	R326 H330 Y440	R326-H328 PolarHBondContact O-N 3.16Å; H328-H330 PolarHBondContact O-N 2.94Å; H328-Y440 PolarHBondContact O-OH 3.1Å
329	H	30.4	Very low	32.9	Very low	158 Å²	158	130.3 Å²	130.3	73%	0.731	64%	0.635	S	S	*	*			trans	-65.2	107.4	154.8	-94.8	-72.5	0	0	0	108.4	H327 R331	H327-H329 PolarHBondContact O-N 3.02Å; H329-R331 PolarHBondContact O-N 3.43Å
330	H	28.6	Very low	32	Very low	185 Å²	185	134.9 Å²	134.9	86%	0.856	66%	0.655	S	S	*	*			trans	-72.6	97.1	152.9	-103.5	-71.6	0	0	0	107.4	H328	H328-H330 PolarHBondContact O-N 2.94Å
331	R	26.3	Very low	30.8	Very low	220 Å²	220	136.2 Å²	136.2	83%	0.83	67%	0.674	S	S	*	*			trans	-120.5	91.7	159.1	-112.5	-172.2	-173	-178.3	3.3	106.6	H329	H329-R331 PolarHBondContact O-N 3.43Å
332	H	28.4	Very low	29.9	Very low	171 Å²	171	136.5 Å²	136.5	79%	0.792	69%	0.685	S	S	*	*			trans	-155.6	145.9	160.4	-104.1	-76.1	0	0	0	107.9
333	M	29.3	Very low	29.2	Very low	176 Å²	176	140.9 Å²	140.9	87%	0.867	71%	0.712	S	S	*	*			trans	85.8	74.3	-165.3	-50.7	-70.6	169.4	0	0	110.8
334	V	30.5	Very low	28.5	Very low	109 Å²	109	142.2 Å²	142.2	66%	0.661	72%	0.723	S	S	*	*				50.2	106.1	68.4	-174	0	0	0	0	111.8
335	N	25.7	Very low	27.9	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	74%	0.739	S	S	*	*			trans	56.6	97.9	153	-57.9	-11.9	0	0	0	117.9
336	H	30.2	Very low	27.4	Very low	171 Å²	171	146.7 Å²	146.7	79%	0.792	75%	0.75	S	S	*	*				-168.7	116.7	119.8	-104	-75.7	0	0	0	110
337	Y	28.1	Very low	27.2	Very low	190 Å²	190	146.7 Å²	146.7	75%	0.745	76%	0.761	S	S	*	*			trans	48.4	124	136.3	-81	-98.5	0	0	0	121.4
338	N	26.6	Very low	27.1	Very low	125 Å²	125	149.2 Å²	149.2	67%	0.668	77%	0.77	S	S	*	*			trans	73.1	110.7	147	-59.4	-5.3	0	0	0	116.3
339	S	25.1	Very low	26.7	Very low	101 Å²	101	152 Å²	152	71%	0.706	79%	0.788	S	S	*	*				46	79.1	72	80.7	0	0	0	0	112.3
340	D	26.3	Very low	26.5	Very low	161 Å²	161	149.5 Å²	149.5	86%	0.861	79%	0.789	S	S	*	*			trans	-149.2	115.1	145.3	-89	-34.7	0	0	0	109.2
341	C	21.8	Very low	26.3	Very low	118 Å²	118	149.4 Å²	149.4	80%	0.797	79%	0.788	S	S	*	*			trans	-54.2	151.9	150.6	-66.2	0	0	0	0	108.7
342	C	24.6	Very low	26.2	Very low	112 Å²	112	146.5 Å²	146.5	76%	0.757	79%	0.788	S	S	*	*			trans	159.5	108.6	145	-86.1	0	0	0	0	107.9
343	T	26.9	Very low	25.9	Very low	120 Å²	120	149.1 Å²	149.1	74%	0.736	80%	0.798	S	S	*	*				56.2	126	99.8	60.9	0	0	0	0	113.8	N345	T343-N345 PolarHBondContact O-N 2.97Å
344	P	24.1	Very low	25.7	Very low	132 Å²	132	144.8 Å²	144.8	86%	0.857	79%	0.785	S	S	*	*			trans	-74.2	129.3	-167.2	32.6	-32.2	0	0	0	109.7
345	N	25.7	Very low	25.3	Very low	155 Å²	155	146.3 Å²	146.3	83%	0.829	80%	0.799	S	S	*	*			trans	-128.6	134.4	166.9	-134.6	-5.4	0	0	0	110.9	T343	T343-N345 PolarHBondContact O-N 2.97Å
346	T	26.1	Very low	25.3	Very low	106 Å²	106	144 Å²	144	65%	0.65	79%	0.794	S	S	*	*			trans	-60.2	157.8	-172	48.9	0	0	0	0	113.4
347	N	25.4	Very low	25.1	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	79%	0.792	S	S	*	*			trans	87	77.5	161.1	-50.6	-24.3	0	0	0	117
348	K	29.1	Very low	25.1	Very low	213 Å²	213	140 Å²	140	93%	0.926	80%	0.796	S	S	*	*			trans	-164.3	91.3	135.2	-108.5	166.4	-176.1	178.5	0	109.1	S350	K348-S350 PolarHBondContact O-N 3.43Å
349	L	22.5	Very low	25.1	Very low	179 Å²	179	142.4 Å²	142.4	94%	0.937	80%	0.803	S	S	*	*			trans	-91.1	92.3	-177.9	-159.9	100.5	0	0	0	109
350	S	24.3	Very low	25.2	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	80%	0.802	S	S	*	*	S	Bend	trans	169.9	135.1	153.7	41	0	0	0	0	108.1	K348	K348-S350 PolarHBondContact O-N 3.43Å
351	Q	25.8	Very low	25.1	Very low	182 Å²	182	141.6 Å²	141.6	85%	0.85	80%	0.799	S	S	*	*			trans	79.9	70.1	177.3	-48.3	-179.7	-12.1	0	0	116.4
352	L	23.6	Very low	25.3	Very low	159 Å²	159	146.2 Å²	146.2	83%	0.832	80%	0.801	S	S	*	*			trans	-161.9	98.2	145.6	-107.8	133.1	0	0	0	109.8	S354	L352-S354 PolarHBondContact O-N 2.87Å
353	F	22.8	Very low	25.3	Very low	226 Å²	226	147.5 Å²	147.5	99%	0.991	80%	0.8	S	S	*	*			trans	-74.5	98.3	165.8	-88.4	-89.3	0	0	0	108.1
354	S	25.2	Very low	25.3	Very low	85 Å²	85	148.3 Å²	148.3	59%	0.594	81%	0.805	S	S	*	*			trans	-147.3	127.5	165.9	56.3	0	0	0	0	109.5	L352 S356	L352-S354 PolarHBondContact O-N 2.87Å; S354-S356 PolarHBondContact O-N 3.03Å
355	C	21.9	Very low	25.5	Very low	142 Å²	142	148.1 Å²	148.1	96%	0.959	80%	0.801	S	S	*	*			trans	-43.8	121	179.5	-62.2	0	0	0	0	113.6
356	S	25.5	Very low	25.6	Very low	93 Å²	93	146 Å²	146	65%	0.65	79%	0.794	S	S	*	*			trans	-143.1	144.1	152.2	53.2	0	0	0	0	108	S354 I358	S354-S356 PolarHBondContact O-N 3.03Å; S356-I358 PolarHBondContact O-N 3.32Å
357	P	26.8	Very low	25.5	Very low	115 Å²	115	146.6 Å²	146.6	75%	0.747	80%	0.798	S	S	*	*			trans	-69.6	119	-178.3	29	-30.7	0	0	0	108.5	Q359	P357-Q359 PolarHBondContact O-N 3.5Å; P357-Q359 VanDerWaalsContact O-N 3.16Å
358	I	26.9	Very low	25.6	Very low	161 Å²	161	145.4 Å²	145.4	83%	0.826	80%	0.796	S	S	*	*			trans	-72.7	109.4	-176.6	-65.9	171	0	0	0	108.8	S356	S356-I358 PolarHBondContact O-N 3.32Å
359	Q	26.8	Very low	25.5	Very low	175 Å²	175	140.9 Å²	140.9	82%	0.818	79%	0.786	S	S	*	*			trans	-53.5	130.8	157.6	-85.7	170.2	-45.1	0	0	109.7	P357 N361	P357-Q359 PolarHBondContact O-N 3.5Å; P357-Q359 VanDerWaalsContact O-N 3.16Å; Q359-N361 PolarHBondContact O-N 3.36Å
360	S	26.9	Very low	25.7	Very low	98 Å²	98	138 Å²	138	69%	0.685	78%	0.777	S	S	*	*			trans	-59.2	118.7	166.6	52.1	0	0	0	0	110.5	Y362	S360-Y362 PolarHBondContact O-N 2.89Å
361	N	25.5	Very low	25.8	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	78%	0.782	S	S	*	*			trans	-67.3	98	165.9	-87.4	-19.7	0	0	0	109.9	Q359	Q359-N361 PolarHBondContact O-N 3.36Å
362	Y	25.4	Very low	25.8	Very low	215 Å²	215	137.5 Å²	137.5	84%	0.843	78%	0.782	S	S	*	*			trans	-101.4	91.7	148.9	-86.5	-82.4	0	0	0	107.2	S360	S360-Y362 PolarHBondContact O-N 2.89Å
363	N	25.1	Very low	25.9	Very low	138 Å²	138	136 Å²	136	74%	0.738	78%	0.779	S	S	*	*			trans	-109.6	108.9	162.2	-84.4	-14.4	0	0	0	107.4
364	T	26.5	Very low	26	Very low	138 Å²	138	131.9 Å²	131.9	85%	0.847	77%	0.773	S	S	*	*			trans	-174.9	140	137.5	21.6	0	0	0	0	108.6
365	V	27.5	Very low	26.1	Very low	127 Å²	127	134.8 Å²	134.8	77%	0.77	78%	0.782	S	S	*	*			trans	96.7	82.4	164.4	-161.6	0	0	0	0	117
366	T	28.1	Very low	26.1	Very low	110 Å²	110	136.5 Å²	136.5	68%	0.675	78%	0.778	S	S	*	*				56.6	101.8	129.9	55.2	0	0	0	0	121.7
367	T	24	Very low	26.2	Very low	120 Å²	120	138.6 Å²	138.6	74%	0.736	79%	0.786	S	S	*	*				47.9	112.1	113.5	57.4	0	0	0	0	118.9
368	T	27.5	Very low	26.1	Very low	124 Å²	124	140.3 Å²	140.3	76%	0.761	79%	0.788	S	S	*	*				169	127.4	100.8	40.4	0	0	0	0	111
369	T	27.1	Very low	26	Very low	119 Å²	119	137.1 Å²	137.1	73%	0.73	78%	0.779	S	S	*	*			trans	49.4	129	142.4	58.7	0	0	0	0	118.8
370	T	26.4	Very low	26	Very low	119 Å²	119	133 Å²	133	73%	0.73	77%	0.77	S	S	*	*			cis	176.2	162.5	32.5	15.9	0	0	0	0	109.2
371	T	27.7	Very low	26	Very low	138 Å²	138	139.5 Å²	139.5	85%	0.847	78%	0.78	S	S	*	*			trans	88.1	109.7	160.5	67.9	0	0	0	0	119.7
372	T	24.8	Very low	26.1	Very low	138 Å²	138	139 Å²	139	85%	0.847	78%	0.776	S	S	*	*			trans	-78.2	127.6	171.8	44.1	0	0	0	0	112.1
373	T	26.5	Very low	26.3	Very low	127 Å²	127	132.6 Å²	132.6	78%	0.779	76%	0.761	S	S	*	*			trans	-136.8	116.3	150.1	46	0	0	0	0	108.9	N375	T373-N375 PolarHBondContact O-N 3.34Å
374	T	24.4	Very low	26.7	Very low	139 Å²	139	132.3 Å²	132.3	85%	0.853	76%	0.759	S	S	*	*			trans	-51.3	113	171	47.2	0	0	0	0	111.1
375	N	26.4	Very low	27.6	Very low	146 Å²	146	133.2 Å²	133.2	78%	0.781	76%	0.759	S	S	*	*			trans	-133.7	128.8	161.8	-93.5	-22.1	0	0	0	109.8	T373 V377	T373-N375 PolarHBondContact O-N 3.34Å; N375-V377 PolarHBondContact O-N 3.42Å
376	M	23.3	Very low	29	Very low	179 Å²	179	129.9 Å²	129.9	88%	0.882	74%	0.737	S	S	*	*			trans	-54.1	116	-175.7	-59.9	173.1	-158.1	0	0	111.2	I378	M376-I378 PolarHBondContact O-N 3.36Å
377	V	26	Very low	30.4	Very low	137 Å²	137	128.7 Å²	128.7	83%	0.83	73%	0.726	S	S	*	*			trans	-80.1	98.1	165.5	178.9	0	0	0	0	107.1	N375 S379	N375-V377 PolarHBondContact O-N 3.42Å; V377-S379 PolarHBondContact O-N 2.85Å
378	I	26	Very low	32.3	Very low	151 Å²	151	124.3 Å²	124.3	77%	0.774	70%	0.7	S	S	*	*			trans	-54.2	120.4	165.1	-67.4	167.3	0	0	0	107.1	M376 S380	M376-I378 PolarHBondContact O-N 3.36Å; I378-S380 PolarHBondContact O-N 2.95Å
379	S	25	Very low	33.7	Very low	93 Å²	93	125.6 Å²	125.6	65%	0.65	70%	0.695	S	S	*	*			trans	-53.9	107.4	177.6	52.2	0	0	0	0	110.6	V377 W381	V377-S379 PolarHBondContact O-N 2.85Å; S379-W381 PolarHBondContact O-N 3.44Å
380	S	25.1	Very low	35.1	Very low	89 Å²	89	126 Å²	126	62%	0.622	69%	0.692	S	S	*	*			trans	-66.3	117.5	173.6	50.2	0	0	0	0	110.2	I378 L382	I378-S380 PolarHBondContact O-N 2.95Å; S380-L382 PolarHBondContact O-N 2.72Å
381	W	28.6	Very low	36.7	Very low	234 Å²	234	121 Å²	121	89%	0.886	66%	0.66	S	S	*	*			trans	-72.2	34	165.5	-85.7	78.2	0	0	0	112.7	S379	S379-W381 PolarHBondContact O-N 3.44Å
382	L	25.9	Very low	38	Very low	138 Å²	138	115.5 Å²	115.5	72%	0.723	63%	0.627	S	S	*	*			trans	-92.5	112.3	167.1	-137.4	76.7	0	0	0	106.1	S380 N384	S380-L382 PolarHBondContact O-N 2.72Å; L382-N384 PolarHBondContact O-N 2.93Å
383	P	30.8	Very low	39.7	Very low	80 Å²	80	110.5 Å²	110.5	52%	0.519	60%	0.596	S	S	.	*			trans	-62.4	115.7	171.2	-7	21.1	0	0	0	106.7
384	N	33.1	Very low	41.2	Very low	132 Å²	132	108.1 Å²	108.1	71%	0.706	58%	0.578	S	S	*	*			trans	-35.7	141.5	171.2	-66.3	-28.5	0	0	0	111.9	L382 L386	L382-N384 PolarHBondContact O-N 2.93Å; N384-L386 PolarHBondContact O-N 3.47Å
385	D	46.1	Very low	42.6	Very low	158 Å²	158	102.6 Å²	102.6	85%	0.845	55%	0.549	S	S	*	.			trans	-29.1	118	-176.9	-63.4	-44.2	0	0	0	114.8	N387	D385-N387 PolarHBondContact O-N 3.4Å
386	L	56	Low	44	Very low	56 Å²	56	101.8 Å²	101.8	29%	0.293	54%	0.544	S	S	.	.			trans	-67.4	97.9	174.1	-155.6	81.1	0	0	0	108.3	N384 C388 E451 T454 C455	N384-L386 PolarHBondContact O-N 3.47Å; L386-C388 VanDerWaalsContact C-N 3.33Å; L386-C388 PolarHBondContact O-N 3.44Å; L386-E451 HydrophobicContact CD1-CG 4.4Å; L386-T454 HydrophobicContact CD2-CG2 3.66Å; L386-C455 VanDerWaalsContact CD2-SG 3.58Å
387	N	57.5	Low	45.3	Very low	86 Å²	86	95.2 Å²	95.2	46%	0.46	51%	0.511	S	S	.	.			trans	-81.8	81.1	179.5	-164.6	-1.5	0	0	0	110.6	D385 K389 I390	D385-N387 PolarHBondContact O-N 3.4Å; N387-K389 PolarHBondContact O-N 2.99Å; N387-K389 WeakPolarHBondContact OD1-CB 3.29Å; N387-K389 WeakPolarHBondContact OD1-CG 3.28Å; N387-K389 PolarHBondContact OD1-N 3.46Å; N387-I390 HydrophobicContact CB-CD1 4.12Å; N387-I390 HydrophobicContact CB-CG1 4.44Å; N387-I390 PolarHBondContact O-N 2.95Å; N387-I390 VanDerWaalsContact O-N 3.1Å
388	C	63.3	Low	46.5	Very low	28 Å²	28	94.8 Å²	94.8	19%	0.189	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-0.9	177.1	-66.1	0	0	0	0	114.1	L386 I390 C455 R459	L386-C388 VanDerWaalsContact C-N 3.33Å; L386-C388 PolarHBondContact O-N 3.44Å; C388-I390 VanDerWaalsContact C-N 3.33Å; C388-C455 WeakPolarHBondContact CA-SG 3.35Å; C388-C455 HydrophobicContact CB-CB 3.79Å; C388-C455 WeakPolarHBondContact CB-SG 3.34Å; C388-C455 WeakPolarHBondContact SG-CA 3.46Å; C388-C455 WeakPolarHBondContact SG-CB 3.45Å; C388-C455 CovalentContact SG-SG 2.06Å; C388-C455 PolarHBondContact SG-SG 2.71Å; C388-R459 PolarHBondContact O-NH2 3.46Å
389	K	56.9	Low	47.4	Very low	151 Å²	151	89.8 Å²	89.8	66%	0.657	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-24.4	170.5	-61.5	-168.3	176.4	-140.5	0	113.3	N387 E403	N387-K389 PolarHBondContact O-N 2.99Å; N387-K389 WeakPolarHBondContact OD1-CB 3.29Å; N387-K389 WeakPolarHBondContact OD1-CG 3.28Å; N387-K389 PolarHBondContact OD1-N 3.46Å; K389-E403 WeakPolarHBondContact CE-OE1 3.29Å; K389-E403 IonicContact NZ-OE1 3.62Å; K389-E403 PolarHBondContact NZ-OE1 2.98Å
390	I	57.9	Low	48.3	Very low	128 Å²	128	90.3 Å²	90.3	66%	0.656	47%	0.465	S	S	*	.	S	Bend	trans	-87.8	-21.6	-175.1	-57.1	173.9	0	0	0	111.5	N387 C388	N387-I390 HydrophobicContact CB-CD1 4.12Å; N387-I390 HydrophobicContact CB-CG1 4.44Å; N387-I390 PolarHBondContact O-N 2.95Å; N387-I390 VanDerWaalsContact O-N 3.1Å; C388-I390 VanDerWaalsContact C-N 3.33Å
391	I	58.7	Low	49.2	Very low	12 Å²	12	94.1 Å²	94.1	6%	0.062	47%	0.471	C	S	.	.	S	Bend	trans	-88.3	124.3	-173.4	-67.1	163.8	0	0	0	110.1	E451 Y452 C455 R459	I391-E451 HydrophobicContact CD1-CB 4.14Å; I391-Y452 HydrophobicContact CG2-CD2 3.77Å; I391-C455 HydrophobicContact CD1-CB 4.34Å; I391-C455 WeakPolarHBondContact CD1-SG 3.09Å; I391-R459 PolarHBondContact O-NH2 3.02Å
392	P	56.7	Low	49.8	Very low	23 Å²	23	88.9 Å²	88.9	15%	0.149	46%	0.46	C	S	.	.			trans	-59.5	148.9	-178.8	25	-33.6	0	0	0	110.7	E429 L430 Y433 Y452	P392-E429 HydrophobicContact CB-CB 4.43Å; P392-L430 HydrophobicContact CG-CD1 4.38Å; P392-Y433 HydrophobicContact CG-CG 4.18Å; P392-Y452 VanDerWaalsContact O-CE2 3.24Å; P392-Y452 WeakPolarHBondContact O-CE2 3.28Å
393	T	60.7	Low	50.5	Low	34 Å²	34	86.5 Å²	86.5	21%	0.209	45%	0.445	C	S	.	.			trans	-109.6	152.3	-174.1	96	0	0	0	0	110.1	G395 E456 R459	T393-G395 PolarHBondContact O-N 3.41Å; T393-G395 WeakPolarHBondContact OG1-CA 3.35Å; T393-G395 PolarHBondContact OG1-N 3.25Å; T393-E456 VanDerWaalsContact CA-OE1 3.3Å; T393-E456 WeakPolarHBondContact CA-OE1 3.47Å; T393-R459 VanDerWaalsContact CG2-NH2 3.27Å
394	L	57.5	Low	51	Low	76 Å²	76	87.4 Å²	87.4	40%	0.398	44%	0.442	S	S	.	.			trans	-71.9	0.3	168.9	-97.9	161.9	0	0	0	112.9	L396 T427 L430 Y452 E456	L394-L396 PolarHBondContact O-N 3.03Å; L394-T427 HydrophobicContact CD2-CG2 4.38Å; L394-L430 HydrophobicContact CD2-CD2 4.34Å; L394-L430 HydrophobicContact CG-CD2 4.09Å; L394-Y452 WeakPolarHBondContact CD1-OH 3.31Å; L394-Y452 WeakPolarHBondContact CG-OH 3.43Å; L394-E456 PolarHBondContact N-OE1 3.43Å
395	G	52.6	Low	51	Low	23 Å²	23	86.4 Å²	86.4	24%	0.237	44%	0.437	C	S	.	.	S	Bend	trans	71.9	8.1	-177.6	0	0	0	0	0	114.1	T393 Y398	T393-G395 PolarHBondContact O-N 3.41Å; T393-G395 WeakPolarHBondContact OG1-CA 3.35Å; T393-G395 PolarHBondContact OG1-N 3.25Å; G395-Y398 WeakPolarHBondContact O-CD2 3.4Å; G395-Y398 VanDerWaalsContact O-CE2 3.26Å; G395-Y398 WeakPolarHBondContact O-CE2 3.46Å
396	L	55.6	Low	50.4	Low	130 Å²	130	88 Å²	88	68%	0.681	43%	0.433	S	S	*	.	S	Bend	trans	-77.7	-26.3	-175.3	-150.2	74.7	0	0	0	112.5	L394	L394-L396 PolarHBondContact O-N 3.03Å
397	F	52.5	Low	49.3	Very low	41 Å²	41	89.9 Å²	89.9	18%	0.18	45%	0.446	C	S	.	.	S	Bend	trans	-138.2	89.1	-177.8	-53.6	-73	0	0	0	110.8	R459 L460 W463	F397-R459 HydrophobicContact CB-CB 4.4Å; F397-L460 HydrophobicContact CD1-CD1 4.32Å; F397-L460 HydrophobicContact CD2-CB 4.43Å; F397-L460 HydrophobicContact CE1-CD1 3.62Å; F397-L460 HydrophobicContact CE2-CB 4.29Å; F397-L460 HydrophobicContact CE2-CD1 3.88Å; F397-L460 HydrophobicContact CZ-CD1 3.38Å; F397-W463 HydrophobicContact CD1-CB 4.41Å; F397-W463 AromaticContact CD1-CD2 3.93Å; F397-W463 HydrophobicContact CD1-CD2 3.93Å; F397-W463 HydrophobicContact CD1-CE3 4.11Å; F397-W463 HydrophobicContact CD1-CG 4.06Å; F397-W463 HydrophobicContact CE1-CD2 4.3Å; F397-W463 HydrophobicContact CE1-CE3 4.04Å; F397-W463 HydrophobicContact CE1-CZ3 4.2Å
398	Y	50.2	Low	48.2	Very low	127 Å²	127	90.4 Å²	90.4	50%	0.498	45%	0.449	S	S	.	.			trans	-79.5	123.8	174.4	-79.8	-85.4	0	0	0	111.2	G395 D400	G395-Y398 WeakPolarHBondContact O-CD2 3.4Å; G395-Y398 VanDerWaalsContact O-CE2 3.26Å; G395-Y398 WeakPolarHBondContact O-CE2 3.46Å; Y398-D400 PolarHBondContact O-N 3.5Å
399	L	45.4	Very low	46.7	Very low	47 Å²	47	94.2 Å²	94.2	25%	0.246	47%	0.471	C	S	.	.			trans	-90.2	94.9	163.4	-78	162.2	0	0	0	107.8	R459 L462	L399-R459 HydrophobicContact CD1-CG 4.46Å; L399-L462 HydrophobicContact CD1-CB 4.33Å; L399-L462 HydrophobicContact CD1-CD1 4.04Å
400	D	44	Very low	45.6	Very low	104 Å²	104	94 Å²	94	56%	0.556	48%	0.477	S	S	*	.			trans	72.5	138.4	166.8	-139.2	-2.7	0	0	0	118.3	Y398 N402 E403	Y398-D400 PolarHBondContact O-N 3.5Å; D400-N402 PolarHBondContact O-N 3.24Å; D400-E403 PolarHBondContact O-N 3.29Å
401	K	44.3	Very low	44.2	Very low	169 Å²	169	93.9 Å²	93.9	74%	0.735	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.2	-176.7	-73.3	-179.4	175.4	-179.8	0	113.7
402	N	40.2	Very low	42.9	Very low	123 Å²	123	97 Å²	97	66%	0.658	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.3	-174.9	-65.9	-18.7	0	0	0	113.6	D400	D400-N402 PolarHBondContact O-N 3.24Å
403	E	41.1	Very low	41.7	Very low	88 Å²	88	105.5 Å²	105.5	41%	0.411	54%	0.544	S	S	.	.	S	Bend	trans	-89.4	-2.7	175	-70.6	-165.3	152.9	0	0	113.6	K389 D400 N405 Y406	K389-E403 WeakPolarHBondContact CE-OE1 3.29Å; K389-E403 IonicContact NZ-OE1 3.62Å; K389-E403 PolarHBondContact NZ-OE1 2.98Å; D400-E403 PolarHBondContact O-N 3.29Å; E403-N405 PolarHBondContact O-N 2.94Å; E403-N405 VanDerWaalsContact O-N 3.11Å; E403-Y406 PolarHBondContact O-N 3.37Å
404	E	41.5	Very low	40.3	Very low	100 Å²	100	110.6 Å²	110.6	47%	0.467	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.8	-22.6	174.1	-68.6	-177.4	174	0	0	112.8	L408	E404-L408 HydrophobicContact CB-CD1 4.42Å; E404-L408 VanDerWaalsContact O-CD1 3.25Å; E404-L408 WeakPolarHBondContact O-CD1 3.32Å; E404-L408 VanDerWaalsContact O-CG 3.3Å; E404-L408 WeakPolarHBondContact O-CG 3.34Å
405	N	32.1	Very low	39.1	Very low	110 Å²	110	114.6 Å²	114.6	59%	0.588	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-14.5	-173.3	-72.3	-25.3	0	0	0	115.7	E403 T409	E403-N405 PolarHBondContact O-N 2.94Å; E403-N405 VanDerWaalsContact O-N 3.11Å; N405-T409 WeakPolarHBondContact O-CG2 3.45Å; N405-T409 PolarHBondContact O-OG1 3.49Å; N405-T409 VanDerWaalsContact O-OG1 3.1Å
406	Y	33.1	Very low	38.1	Very low	193 Å²	193	119.2 Å²	119.2	76%	0.757	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-18.5	-177.2	-78.8	-81.8	0	0	0	114.3	E403	E403-Y406 PolarHBondContact O-N 3.37Å
407	T	34.2	Very low	37	Very low	95 Å²	95	119 Å²	119	58%	0.583	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-20.8	173.4	51.2	0	0	0	0	112.6
408	L	32.8	Very low	36.1	Very low	96 Å²	96	120 Å²	120	50%	0.503	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	-12	178.5	-74.1	171.5	0	0	0	114.9	E404 S412	E404-L408 HydrophobicContact CB-CD1 4.42Å; E404-L408 VanDerWaalsContact O-CD1 3.25Å; E404-L408 WeakPolarHBondContact O-CD1 3.32Å; E404-L408 VanDerWaalsContact O-CG 3.3Å; E404-L408 WeakPolarHBondContact O-CG 3.34Å; L408-S412 PolarHBondContact O-OG 3.37Å
409	T	32.5	Very low	36	Very low	108 Å²	108	119.1 Å²	119.1	66%	0.663	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-6.1	-175.7	42.4	0	0	0	0	114.7	N405	N405-T409 WeakPolarHBondContact O-CG2 3.45Å; N405-T409 PolarHBondContact O-OG1 3.49Å; N405-T409 VanDerWaalsContact O-OG1 3.1Å
410	L	33.3	Very low	35.6	Very low	148 Å²	148	121.2 Å²	121.2	78%	0.775	67%	0.665	S	S	*	*	S	Bend	trans	-111	102.1	164.4	-84.3	115.4	0	0	0	108.7
411	S	30.3	Very low	35.4	Very low	124 Å²	124	123.4 Å²	123.4	87%	0.867	67%	0.666	S	S	*	*	S	Bend	trans	88.6	64.9	175.5	-169	0	0	0	0	117.2
412	S	30.7	Very low	35.3	Very low	77 Å²	77	120.1 Å²	120.1	54%	0.538	66%	0.655	S	S	.	*			trans	-148	65	160.4	61.9	0	0	0	0	113.7	L408	L408-S412 PolarHBondContact O-OG 3.37Å
413	K	31.3	Very low	35.7	Very low	203 Å²	203	119.8 Å²	119.8	88%	0.883	65%	0.653	S	S	*	*	S	Bend	trans	-84.8	107.6	143	-85.5	-176.4	177.7	178.3	0	105.9
414	N	30.8	Very low	36	Very low	141 Å²	141	122 Å²	122	75%	0.754	66%	0.658	S	S	*	*	S	Bend	trans	78.6	106.2	-179.2	-47.5	-23.5	0	0	0	114.2
415	L	33.2	Very low	36.5	Very low	159 Å²	159	121.5 Å²	121.5	83%	0.832	66%	0.659	S	S	*	*				178.5	144.7	108.5	-107.7	95.2	0	0	0	111.7
416	T	31.3	Very low	37.6	Very low	121 Å²	121	117.3 Å²	117.3	74%	0.742	64%	0.638	S	S	*	*			trans	-76.1	146	-170	45.6	0	0	0	0	114.2	S418	T416-S418 PolarHBondContact O-N 3.28Å
417	S	31.9	Very low	38.8	Very low	125 Å²	125	110.4 Å²	110.4	87%	0.874	62%	0.616	S	S	*	*			trans	-39	108.8	171.8	54.7	0	0	0	0	115.2
418	S	34.9	Very low	40.1	Very low	62 Å²	62	111.3 Å²	111.3	43%	0.434	61%	0.612	S	S	.	*			trans	-155.2	130	152.7	54.9	0	0	0	0	111.1	T416 P420 W421	T416-S418 PolarHBondContact O-N 3.28Å; S418-P420 WeakPolarHBondContact O-CD 3.3Å; S418-W421 PolarHBondContact O-N 2.9Å; S418-W421 VanDerWaalsContact OG-CD1 3.26Å
419	S	46.6	Very low	41.4	Very low	108 Å²	108	111.7 Å²	111.7	76%	0.755	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-11.1	-167.2	46.2	0	0	0	0	119.4
420	P	37.7	Very low	42.8	Very low	92 Å²	92	107.4 Å²	107.4	60%	0.597	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-20.8	172.3	-13.5	30.2	0	0	0	114.6	S418	S418-P420 WeakPolarHBondContact O-CD 3.3Å
421	W	39	Very low	44.4	Very low	150 Å²	150	104.7 Å²	104.7	57%	0.568	57%	0.574	S	S	*	*	H	α-helix	trans	-78.1	-21.9	-173.4	-71.4	93	0	0	0	113.8	S418 L423 Y424 N425	S418-W421 PolarHBondContact O-N 2.9Å; S418-W421 VanDerWaalsContact OG-CD1 3.26Å; W421-L423 VanDerWaalsContact C-N 3.33Å; W421-L423 PolarHBondContact O-N 3.21Å; W421-Y424 HydrophobicContact CE3-CD1 4.25Å; W421-Y424 HydrophobicContact CZ3-CD1 4.29Å; W421-Y424 PolarHBondContact O-N 3.13Å; W421-N425 PolarHBondContact O-N 2.87Å
422	I	42.3	Very low	45.9	Very low	100 Å²	100	103.7 Å²	103.7	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-64.1	-40	179.2	-60.5	169	0	0	0	110.5	S426	I422-S426 WeakPolarHBondContact O-CB 3.38Å; I422-S426 PolarHBondContact O-N 2.82Å; I422-S426 VanDerWaalsContact O-N 3.1Å; I422-S426 PolarHBondContact O-OG 3.28Å
423	L	49.1	Very low	47.4	Very low	116 Å²	116	103 Å²	103	61%	0.607	55%	0.545	S	S	*	.	H	α-helix	trans	-71.3	-36.3	178.5	-133.6	115.2	0	0	0	111.7	W421 T427	W421-L423 VanDerWaalsContact C-N 3.33Å; W421-L423 PolarHBondContact O-N 3.21Å; L423-T427 WeakPolarHBondContact O-CB 3.22Å; L423-T427 VanDerWaalsContact O-CG2 3.22Å; L423-T427 WeakPolarHBondContact O-CG2 3.3Å; L423-T427 PolarHBondContact O-N 2.8Å; L423-T427 PolarHBondContact O-OG1 3.48Å
424	Y	47.9	Very low	48.8	Very low	133 Å²	133	94.3 Å²	94.3	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-68.4	-44.9	178.2	-178.1	-99.5	0	0	0	112.3	W421 T427 K428	W421-Y424 HydrophobicContact CE3-CD1 4.25Å; W421-Y424 HydrophobicContact CZ3-CD1 4.29Å; W421-Y424 PolarHBondContact O-N 3.13Å; Y424-T427 WeakPolarHBondContact CA-OG1 3.39Å; Y424-T427 PolarHBondContact O-N 3.42Å; Y424-T427 PolarHBondContact O-OG1 3.01Å; Y424-K428 WeakPolarHBondContact O-CB 3.48Å; Y424-K428 PolarHBondContact O-N 3.47Å
425	N	52.1	Low	50	Low	90 Å²	90	90.2 Å²	90.2	48%	0.481	49%	0.49	S	S	.	.	H	α-helix	trans	-65.5	-42.2	176.7	-74.7	-10.8	0	0	0	111.5	W421 T427 K428 E429	W421-N425 PolarHBondContact O-N 2.87Å; N425-T427 PolarHBondContact O-N 2.98Å; N425-K428 PolarHBondContact O-N 3.06Å; N425-E429 PolarHBondContact O-N 2.89Å
426	S	54.7	Low	50.9	Low	22 Å²	22	87.1 Å²	87.1	15%	0.154	48%	0.479	C	S	.	.	H	α-helix	trans	-63.9	-40.3	177.3	-53.5	0	0	0	0	112.4	I422 L430	I422-S426 WeakPolarHBondContact O-CB 3.38Å; I422-S426 PolarHBondContact O-N 2.82Å; I422-S426 VanDerWaalsContact O-N 3.1Å; I422-S426 PolarHBondContact O-OG 3.28Å; S426-L430 VanDerWaalsContact O-CB 3.26Å; S426-L430 WeakPolarHBondContact O-CB 2.99Å; S426-L430 PolarHBondContact O-N 2.71Å
427	T	59	Low	51.8	Low	48 Å²	48	84.4 Å²	84.4	29%	0.294	47%	0.466	S	S	.	.	H	α-helix	trans	-69.9	-35.6	176.2	49.9	0	0	0	0	112.2	L394 L423 Y424 N425 L430 V431	L394-T427 HydrophobicContact CD2-CG2 4.38Å; L423-T427 WeakPolarHBondContact O-CB 3.22Å; L423-T427 VanDerWaalsContact O-CG2 3.22Å; L423-T427 WeakPolarHBondContact O-CG2 3.3Å; L423-T427 PolarHBondContact O-N 2.8Å; L423-T427 PolarHBondContact O-OG1 3.48Å; Y424-T427 WeakPolarHBondContact CA-OG1 3.39Å; Y424-T427 PolarHBondContact O-N 3.42Å; Y424-T427 PolarHBondContact O-OG1 3.01Å; N425-T427 PolarHBondContact O-N 2.98Å; T427-L430 PolarHBondContact O-N 3.16Å; T427-V431 WeakPolarHBondContact O-CB 3.28Å; T427-V431 WeakPolarHBondContact O-CG2 3.42Å; T427-V431 PolarHBondContact O-N 3.22Å
428	K	59.9	Low	52.1	Low	114 Å²	114	84.4 Å²	84.4	50%	0.496	46%	0.46	S	S	.	.	H	α-helix	trans	-67	-43.2	175	-173	178.1	179.3	-178.5	0	112.1	Y424 N425 L430 V431 N432	Y424-K428 WeakPolarHBondContact O-CB 3.48Å; Y424-K428 PolarHBondContact O-N 3.47Å; N425-K428 PolarHBondContact O-N 3.06Å; K428-L430 VanDerWaalsContact C-N 3.34Å; K428-V431 PolarHBondContact O-N 2.85Å; K428-N432 WeakPolarHBondContact O-CB 3.42Å; K428-N432 VanDerWaalsContact O-CG 3.23Å; K428-N432 PolarHBondContact O-N 3.42Å
429	E	60.1	Low	52.5	Low	104 Å²	104	87.1 Å²	87.1	49%	0.486	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-41.5	174	-74.9	-171	168.1	0	0	111.8	P392 N425 N432 Y433	P392-E429 HydrophobicContact CB-CB 4.43Å; N425-E429 PolarHBondContact O-N 2.89Å; E429-N432 PolarHBondContact O-N 3.42Å; E429-Y433 WeakPolarHBondContact O-CB 3.3Å; E429-Y433 PolarHBondContact O-N 2.96Å
430	L	63.7	Low	52.1	Low	18 Å²	18	88.3 Å²	88.3	9%	0.094	46%	0.459	C	S	.	.	H	α-helix	trans	-62.1	-47	174.7	-179.7	63.3	0	0	0	111.7	P392 L394 S426 T427 K428 N432 Y433 L434 Y452	P392-L430 HydrophobicContact CG-CD1 4.38Å; L394-L430 HydrophobicContact CD2-CD2 4.34Å; L394-L430 HydrophobicContact CG-CD2 4.09Å; S426-L430 VanDerWaalsContact O-CB 3.26Å; S426-L430 WeakPolarHBondContact O-CB 2.99Å; S426-L430 PolarHBondContact O-N 2.71Å; T427-L430 PolarHBondContact O-N 3.16Å; K428-L430 VanDerWaalsContact C-N 3.34Å; L430-N432 VanDerWaalsContact C-N 3.29Å; L430-N432 PolarHBondContact O-N 3.16Å; L430-Y433 PolarHBondContact O-N 3.44Å; L430-L434 HydrophobicContact CD1-CD1 3.69Å; L430-L434 HydrophobicContact CD1-CG 4.07Å; L430-L434 HydrophobicContact CD2-CD1 4.43Å; L430-L434 HydrophobicContact CG-CD1 3.73Å; L430-L434 HydrophobicContact CG-CG 4.43Å; L430-L434 WeakPolarHBondContact O-CB 3.5Å; L430-L434 VanDerWaalsContact O-CG 3.26Å; L430-L434 WeakPolarHBondContact O-CG 3.29Å; L430-L434 PolarHBondContact O-N 3.29Å; L430-Y452 HydrophobicContact CD1-CD2 3.55Å; L430-Y452 HydrophobicContact CD1-CE1 4.27Å; L430-Y452 HydrophobicContact CD1-CE2 3.27Å; L430-Y452 HydrophobicContact CD1-CG 4.18Å; L430-Y452 HydrophobicContact CD2-CE2 4.32Å; L430-Y452 HydrophobicContact CG-CE2 4.42Å
431	V	65.2	Low	52.5	Low	92 Å²	92	87 Å²	87	56%	0.558	45%	0.451	S	S	*	.	H	α-helix	trans	-61.4	-40.4	176.6	169.2	0	0	0	0	110.2	T427 K428 L434 S435	T427-V431 WeakPolarHBondContact O-CB 3.28Å; T427-V431 WeakPolarHBondContact O-CG2 3.42Å; T427-V431 PolarHBondContact O-N 3.22Å; K428-V431 PolarHBondContact O-N 2.85Å; V431-L434 PolarHBondContact O-N 2.89Å; V431-S435 WeakPolarHBondContact O-CA 3.21Å; V431-S435 WeakPolarHBondContact O-CB 3.49Å; V431-S435 PolarHBondContact O-N 3.4Å
432	N	63.6	Low	53	Low	103 Å²	103	86.6 Å²	86.6	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-66.5	-38.3	175.7	-73.6	-13.3	0	0	0	112.8	K428 E429 L430 S435	K428-N432 WeakPolarHBondContact O-CB 3.42Å; K428-N432 VanDerWaalsContact O-CG 3.23Å; K428-N432 PolarHBondContact O-N 3.42Å; E429-N432 PolarHBondContact O-N 3.42Å; L430-N432 VanDerWaalsContact C-N 3.29Å; L430-N432 PolarHBondContact O-N 3.16Å; N432-S435 PolarHBondContact O-N 2.83Å
433	Y	60.8	Low	53.4	Low	63 Å²	63	83.8 Å²	83.8	25%	0.247	44%	0.441	C	S	.	.	H	α-helix	trans	-65.6	-41.6	175.6	-175.8	-98.4	0	0	0	111.7	P392 E429 L430 R448 E451	P392-Y433 HydrophobicContact CG-CG 4.18Å; E429-Y433 WeakPolarHBondContact O-CB 3.3Å; E429-Y433 PolarHBondContact O-N 2.96Å; L430-Y433 PolarHBondContact O-N 3.44Å; Y433-R448 HydrophobicContact CD1-CB 4.44Å; Y433-R448 HydrophobicContact CE1-CB 3.81Å; Y433-R448 HydrophobicContact CE1-CG 3.95Å; Y433-R448 VanDerWaalsContact O-CD 3.28Å; Y433-R448 WeakPolarHBondContact O-CD 3.16Å; Y433-R448 PolarHBondContact O-NH1 3.39Å; Y433-E451 PolarHBondContact OH-OE2 3.2Å
434	L	61.7	Low	54	Low	20 Å²	20	81.7 Å²	81.7	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-81.4	-17.7	179.3	-64.3	172.1	0	0	0	113.2	L430 V431 R448 Y449	L430-L434 HydrophobicContact CD1-CD1 3.69Å; L430-L434 HydrophobicContact CD1-CG 4.07Å; L430-L434 HydrophobicContact CD2-CD1 4.43Å; L430-L434 HydrophobicContact CG-CD1 3.73Å; L430-L434 HydrophobicContact CG-CG 4.43Å; L430-L434 WeakPolarHBondContact O-CB 3.5Å; L430-L434 VanDerWaalsContact O-CG 3.26Å; L430-L434 WeakPolarHBondContact O-CG 3.29Å; L430-L434 PolarHBondContact O-N 3.29Å; V431-L434 PolarHBondContact O-N 2.89Å; L434-R448 HydrophobicContact CD2-CB 4.49Å; L434-Y449 HydrophobicContact CB-CE1 4.4Å; L434-Y449 HydrophobicContact CD1-CD1 4.19Å; L434-Y449 HydrophobicContact CD1-CE1 3.51Å; L434-Y449 HydrophobicContact CD2-CD1 3.59Å; L434-Y449 HydrophobicContact CD2-CD2 4.28Å; L434-Y449 HydrophobicContact CD2-CE1 3.59Å; L434-Y449 HydrophobicContact CD2-CE2 4.26Å; L434-Y449 HydrophobicContact CD2-CG 3.93Å; L434-Y449 HydrophobicContact CG-CD1 4.48Å; L434-Y449 HydrophobicContact CG-CE1 4.02Å
435	S	56.2	Low	54.9	Low	54 Å²	54	77 Å²	77	38%	0.378	41%	0.414	S	S	.	.	S	Bend	trans	-68.1	139.6	-179.1	-178.2	0	0	0	0	111.1	V431 N432 S437	V431-S435 WeakPolarHBondContact O-CA 3.21Å; V431-S435 WeakPolarHBondContact O-CB 3.49Å; V431-S435 PolarHBondContact O-N 3.4Å; N432-S435 PolarHBondContact O-N 2.83Å; S435-S437 PolarHBondContact O-N 2.76Å
436	P	51.6	Low	55.7	Low	94 Å²	94	75.6 Å²	75.6	61%	0.61	41%	0.406	S	S	*	.			trans	-61.2	105.4	177.3	23.2	-32.9	0	0	0	111.5	T438 I445	P436-T438 PolarHBondContact O-N 2.95Å; P436-I445 HydrophobicContact CB-CD1 3.84Å
437	S	49	Very low	56.4	Low	65 Å²	65	77 Å²	77	46%	0.455	41%	0.408	S	S	.	.			trans	-78.5	108.1	166.7	56.8	0	0	0	0	109.7	S435 R448	S435-S437 PolarHBondContact O-N 2.76Å; S437-R448 PolarHBondContact OG-NH2 2.95Å
438	T	40.3	Very low	57	Low	124 Å²	124	76.8 Å²	76.8	76%	0.761	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.9	108.7	161.6	56.5	0	0	0	0	118.6	P436 Y440	P436-T438 PolarHBondContact O-N 2.95Å; T438-Y440 PolarHBondContact O-N 3.27Å
439	N	41.8	Very low	57.7	Low	120 Å²	120	76.8 Å²	76.8	64%	0.642	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	-11.6	157.3	-77.8	-15.5	0	0	0	122.2
440	Y	38.3	Very low	58.6	Low	132 Å²	132	72.1 Å²	72.1	52%	0.518	38%	0.378	S	S	.	.	S	Bend	trans	-122.1	112.4	179.6	-74.9	-81.1	0	0	0	110.8	H328 T438	H328-Y440 PolarHBondContact O-OH 3.1Å; T438-Y440 PolarHBondContact O-N 3.27Å
441	C	46.1	Very low	59.2	Low	65 Å²	65	74.7 Å²	74.7	44%	0.439	39%	0.39	S	S	.	.			trans	75.5	91.1	167.2	-71.2	0	0	0	0	118.5	M443 N444	C441-M443 PolarHBondContact O-N 2.9Å; C441-N444 HydrophobicContact CB-CB 3.75Å; C441-N444 VanDerWaalsContact O-CB 3.27Å; C441-N444 WeakPolarHBondContact O-CB 3.14Å; C441-N444 PolarHBondContact O-N 2.88Å
442	Q	48.8	Very low	59.8	Low	141 Å²	141	71.3 Å²	71.3	66%	0.659	37%	0.367	S	S	*	.	H	α-helix	trans	-54.6	-28.2	153.6	-91.8	175.4	-29.3	0	0	111.8	N444 I445	Q442-N444 PolarHBondContact O-N 3.44Å; Q442-I445 HydrophobicContact CG-CD1 4.26Å; Q442-I445 VanDerWaalsContact O-CB 3.25Å; Q442-I445 WeakPolarHBondContact O-CB 3.07Å; Q442-I445 PolarHBondContact O-N 3.43Å; Q442-I445 VanDerWaalsContact O-N 3.12Å
443	M	52.2	Low	60.5	Low	41 Å²	41	69.1 Å²	69.1	20%	0.202	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-25.6	175.6	-58.6	-51.1	-68.5	0	0	113.2	C441 I445 L446 Y447 I501 L504 I505	C441-M443 PolarHBondContact O-N 2.9Å; M443-I445 PolarHBondContact O-N 2.92Å; M443-L446 HydrophobicContact CE-CD2 4.39Å; M443-L446 PolarHBondContact O-N 3.35Å; M443-Y447 VanDerWaalsContact O-CD2 3.23Å; M443-Y447 WeakPolarHBondContact O-CD2 3.39Å; M443-Y447 PolarHBondContact O-N 3.42Å; M443-I501 HydrophobicContact CE-CG2 3.56Å; M443-L504 HydrophobicContact CE-CD2 4.34Å; M443-I505 HydrophobicContact CB-CD1 4.21Å; M443-I505 HydrophobicContact CE-CD1 4.14Å; M443-I505 HydrophobicContact CE-CG1 3.84Å; M443-I505 HydrophobicContact CG-CD1 4.2Å; M443-I505 HydrophobicContact CG-CG1 4.1Å
444	N	62	Low	61.6	Low	73 Å²	73	66.2 Å²	66.2	39%	0.39	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-30	175.2	-155.7	1.9	0	0	0	110.9	C441 Q442 Y447 R448	C441-N444 HydrophobicContact CB-CB 3.75Å; C441-N444 VanDerWaalsContact O-CB 3.27Å; C441-N444 WeakPolarHBondContact O-CB 3.14Å; C441-N444 PolarHBondContact O-N 2.88Å; Q442-N444 PolarHBondContact O-N 3.44Å; N444-Y447 PolarHBondContact O-N 3.23Å; N444-R448 WeakPolarHBondContact O-CB 3.31Å; N444-R448 VanDerWaalsContact O-CG 3.25Å; N444-R448 WeakPolarHBondContact O-CG 3.39Å; N444-R448 PolarHBondContact O-N 3.1Å
445	I	66.7	Low	62.5	Low	33 Å²	33	65.2 Å²	65.2	17%	0.169	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-46.7	176.1	-56.2	169.4	0	0	0	110	P436 Q442 M443 Y447 R448 Y449	P436-I445 HydrophobicContact CB-CD1 3.84Å; Q442-I445 HydrophobicContact CG-CD1 4.26Å; Q442-I445 VanDerWaalsContact O-CB 3.25Å; Q442-I445 WeakPolarHBondContact O-CB 3.07Å; Q442-I445 PolarHBondContact O-N 3.43Å; Q442-I445 VanDerWaalsContact O-N 3.12Å; M443-I445 PolarHBondContact O-N 2.92Å; I445-Y447 PolarHBondContact O-N 3.37Å; I445-R448 WeakPolarHBondContact O-CB 3.18Å; I445-R448 PolarHBondContact O-N 3.06Å; I445-Y449 HydrophobicContact CG2-CD2 3.63Å; I445-Y449 HydrophobicContact CG2-CE2 3.33Å; I445-Y449 WeakPolarHBondContact O-CD2 3.26Å; I445-Y449 PolarHBondContact O-N 2.85Å
446	L	68.2	Low	63.7	Low	62 Å²	62	63.8 Å²	63.8	33%	0.325	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-41.8	178.6	-174.8	64.2	0	0	0	111.8	M443 Y449 I450 I501	M443-L446 HydrophobicContact CE-CD2 4.39Å; M443-L446 PolarHBondContact O-N 3.35Å; L446-Y449 PolarHBondContact O-N 3.49Å; L446-I450 HydrophobicContact CD1-CD1 4.49Å; L446-I450 HydrophobicContact CG-CD1 4.09Å; L446-I450 WeakPolarHBondContact O-CD1 3.41Å; L446-I450 WeakPolarHBondContact O-CG1 3.41Å; L446-I450 PolarHBondContact O-N 3.29Å; L446-I501 HydrophobicContact CD2-CD1 3.43Å; L446-I501 VanDerWaalsContact CD2-CD1 3.43Å; L446-I501 HydrophobicContact CD2-CG1 3.67Å; L446-I501 HydrophobicContact CG-CD1 3.74Å
447	Y	70.3	Confident	65.2	Low	50 Å²	50	60.1 Å²	60.1	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-46.2	172.9	-82.6	-65.6	0	0	0	112	M443 N444 I445 Y449 I450 E451 T498 I501 I505	M443-Y447 VanDerWaalsContact O-CD2 3.23Å; M443-Y447 WeakPolarHBondContact O-CD2 3.39Å; M443-Y447 PolarHBondContact O-N 3.42Å; N444-Y447 PolarHBondContact O-N 3.23Å; I445-Y447 PolarHBondContact O-N 3.37Å; Y447-Y449 VanDerWaalsContact C-N 3.31Å; Y447-Y449 PolarHBondContact O-N 3.06Å; Y447-I450 PolarHBondContact O-N 2.69Å; Y447-I450 VanDerWaalsContact O-N 3.13Å; Y447-E451 WeakPolarHBondContact O-CG 3.36Å; Y447-E451 PolarHBondContact O-N 2.98Å; Y447-T498 HydrophobicContact CE1-CG2 3.93Å; Y447-T498 PolarHBondContact OH-O 2.93Å; Y447-I501 HydrophobicContact CD2-CG2 4.38Å; Y447-I501 HydrophobicContact CE1-CD1 4.29Å; Y447-I501 HydrophobicContact CE1-CG2 4.35Å; Y447-I501 HydrophobicContact CE2-CB 4.49Å; Y447-I501 HydrophobicContact CE2-CG2 3.51Å; Y447-I501 VanDerWaalsContact CZ-CG2 3.49Å; Y447-I501 WeakPolarHBondContact OH-CG2 3.45Å; Y447-I505 HydrophobicContact CE2-CD1 4.47Å
448	R	71.1	Confident	66.8	Low	44 Å²	44	58.1 Å²	58.1	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-39.4	175.3	-73.8	179.6	-169.6	-177.5	5.3	112.5	Y433 L434 S437 N444 I445 Y452	Y433-R448 HydrophobicContact CD1-CB 4.44Å; Y433-R448 HydrophobicContact CE1-CB 3.81Å; Y433-R448 HydrophobicContact CE1-CG 3.95Å; Y433-R448 VanDerWaalsContact O-CD 3.28Å; Y433-R448 WeakPolarHBondContact O-CD 3.16Å; Y433-R448 PolarHBondContact O-NH1 3.39Å; L434-R448 HydrophobicContact CD2-CB 4.49Å; S437-R448 PolarHBondContact OG-NH2 2.95Å; N444-R448 WeakPolarHBondContact O-CB 3.31Å; N444-R448 VanDerWaalsContact O-CG 3.25Å; N444-R448 WeakPolarHBondContact O-CG 3.39Å; N444-R448 PolarHBondContact O-N 3.1Å; I445-R448 WeakPolarHBondContact O-CB 3.18Å; I445-R448 PolarHBondContact O-N 3.06Å; R448-Y452 WeakPolarHBondContact O-CB 3.37Å; R448-Y452 PolarHBondContact O-N 3.25Å
449	Y	75.2	Confident	68.7	Low	115 Å²	115	53.4 Å²	53.4	45%	0.451	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-42.6	174.2	-84.2	-68.7	0	0	0	112.2	L434 I445 L446 Y447 Y452 F453	L434-Y449 HydrophobicContact CB-CE1 4.4Å; L434-Y449 HydrophobicContact CD1-CD1 4.19Å; L434-Y449 HydrophobicContact CD1-CE1 3.51Å; L434-Y449 HydrophobicContact CD2-CD1 3.59Å; L434-Y449 HydrophobicContact CD2-CD2 4.28Å; L434-Y449 HydrophobicContact CD2-CE1 3.59Å; L434-Y449 HydrophobicContact CD2-CE2 4.26Å; L434-Y449 HydrophobicContact CD2-CG 3.93Å; L434-Y449 HydrophobicContact CG-CD1 4.48Å; L434-Y449 HydrophobicContact CG-CE1 4.02Å; I445-Y449 HydrophobicContact CG2-CD2 3.63Å; I445-Y449 HydrophobicContact CG2-CE2 3.33Å; I445-Y449 WeakPolarHBondContact O-CD2 3.26Å; I445-Y449 PolarHBondContact O-N 2.85Å; L446-Y449 PolarHBondContact O-N 3.49Å; Y447-Y449 VanDerWaalsContact C-N 3.31Å; Y447-Y449 PolarHBondContact O-N 3.06Å; Y449-Y452 PolarHBondContact O-N 2.95Å; Y449-F453 WeakPolarHBondContact O-CB 3.3Å; Y449-F453 PolarHBondContact O-N 3.41Å
450	I	77.8	Confident	70.5	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-42.8	178.7	-69.7	159.5	0	0	0	111	L446 Y447 F453 T454 W493 V497 I501	L446-I450 HydrophobicContact CD1-CD1 4.49Å; L446-I450 HydrophobicContact CG-CD1 4.09Å; L446-I450 WeakPolarHBondContact O-CD1 3.41Å; L446-I450 WeakPolarHBondContact O-CG1 3.41Å; L446-I450 PolarHBondContact O-N 3.29Å; Y447-I450 PolarHBondContact O-N 2.69Å; Y447-I450 VanDerWaalsContact O-N 3.13Å; I450-F453 PolarHBondContact O-N 3.36Å; I450-T454 VanDerWaalsContact O-CB 3.28Å; I450-T454 WeakPolarHBondContact O-CB 3.38Å; I450-T454 PolarHBondContact O-N 2.57Å; I450-T454 PolarHBondContact O-OG1 3.33Å; I450-W493 HydrophobicContact CG2-CH2 4.14Å; I450-W493 HydrophobicContact CG2-CZ3 4.18Å; I450-V497 HydrophobicContact CD1-CB 4.45Å; I450-V497 HydrophobicContact CD1-CG1 3.38Å; I450-V497 HydrophobicContact CG1-CG1 4.18Å; I450-I501 HydrophobicContact CD1-CD1 3.19Å
451	E	76.9	Confident	72.6	Confident	71 Å²	71	42.6 Å²	42.6	33%	0.332	20%	0.204	S	C	.	.	H	α-helix	trans	-61.7	-48.1	175.3	-73.6	180	163.4	0	0	111.3	L386 I391 Y433 Y447 F453 T454 C455	L386-E451 HydrophobicContact CD1-CG 4.4Å; I391-E451 HydrophobicContact CD1-CB 4.14Å; Y433-E451 PolarHBondContact OH-OE2 3.2Å; Y447-E451 WeakPolarHBondContact O-CG 3.36Å; Y447-E451 PolarHBondContact O-N 2.98Å; E451-F453 PolarHBondContact O-N 2.84Å; E451-T454 PolarHBondContact O-N 3.02Å; E451-C455 PolarHBondContact O-N 2.69Å
452	Y	77	Confident	74.2	Confident	22 Å²	22	42.4 Å²	42.4	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-55.1	-52.1	175.8	175.4	-100.3	0	0	0	111.5	I391 P392 L394 L430 R448 Y449 T454 C455 E456	I391-Y452 HydrophobicContact CG2-CD2 3.77Å; P392-Y452 VanDerWaalsContact O-CE2 3.24Å; P392-Y452 WeakPolarHBondContact O-CE2 3.28Å; L394-Y452 WeakPolarHBondContact CD1-OH 3.31Å; L394-Y452 WeakPolarHBondContact CG-OH 3.43Å; L430-Y452 HydrophobicContact CD1-CD2 3.55Å; L430-Y452 HydrophobicContact CD1-CE1 4.27Å; L430-Y452 HydrophobicContact CD1-CE2 3.27Å; L430-Y452 HydrophobicContact CD1-CG 4.18Å; L430-Y452 HydrophobicContact CD2-CE2 4.32Å; L430-Y452 HydrophobicContact CG-CE2 4.42Å; R448-Y452 WeakPolarHBondContact O-CB 3.37Å; R448-Y452 PolarHBondContact O-N 3.25Å; Y449-Y452 PolarHBondContact O-N 2.95Å; Y452-T454 PolarHBondContact O-N 2.97Å; Y452-C455 PolarHBondContact O-N 3.12Å; Y452-E456 HydrophobicContact CD1-CG 4.47Å; Y452-E456 HydrophobicContact CD2-CG 4.49Å; Y452-E456 HydrophobicContact CE1-CG 3.9Å; Y452-E456 HydrophobicContact CE2-CG 3.9Å; Y452-E456 PolarHBondContact O-N 2.93Å
453	F	79.5	Confident	75.5	Confident	56 Å²	56	38.7 Å²	38.7	25%	0.246	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-38.9	-178.8	-175.1	-93.8	0	0	0	112.4	Y449 I450 E451 C455 E456 L457 W493 I609 H612 L613	Y449-F453 WeakPolarHBondContact O-CB 3.3Å; Y449-F453 PolarHBondContact O-N 3.41Å; I450-F453 PolarHBondContact O-N 3.36Å; E451-F453 PolarHBondContact O-N 2.84Å; F453-C455 VanDerWaalsContact C-N 3.34Å; F453-C455 PolarHBondContact O-N 3.38Å; F453-E456 PolarHBondContact O-N 3.4Å; F453-L457 HydrophobicContact CD1-CD1 3.84Å; F453-L457 HydrophobicContact CD1-CG 4.4Å; F453-L457 HydrophobicContact CE1-CD1 3.16Å; F453-L457 HydrophobicContact CE1-CG 3.96Å; F453-L457 HydrophobicContact CE2-CD1 4.49Å; F453-L457 HydrophobicContact CZ-CD1 3.56Å; F453-L457 HydrophobicContact CZ-CG 4.08Å; F453-L457 WeakPolarHBondContact O-CG 3.35Å; F453-L457 PolarHBondContact O-N 3.24Å; F453-W493 AromaticContact CD1-CH2 3.76Å; F453-W493 HydrophobicContact CD1-CH2 3.76Å; F453-W493 HydrophobicContact CD1-CZ3 4.09Å; F453-W493 HydrophobicContact CE1-CH2 4.2Å; F453-I609 HydrophobicContact CE1-CG2 4.37Å; F453-H612 AromaticContact CE1-CE1 3.43Å; F453-H612 VanDerWaalsContact CE1-CE1 3.43Å; F453-H612 WeakPolarHBondContact CE1-CE1 3.43Å; F453-H612 AromaticContact CE1-NE2 3.41Å; F453-H612 WeakPolarHBondContact CE1-NE2 3.32Å; F453-L613 HydrophobicContact CZ-CD1 3.86Å; F453-L613 HydrophobicContact CZ-CG 4.48Å
454	T	82.2	Confident	76.8	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-43.3	174	-57.4	0	0	0	0	110.9	L386 I450 E451 Y452 T458 L490	L386-T454 HydrophobicContact CD2-CG2 3.66Å; I450-T454 VanDerWaalsContact O-CB 3.28Å; I450-T454 WeakPolarHBondContact O-CB 3.38Å; I450-T454 PolarHBondContact O-N 2.57Å; I450-T454 PolarHBondContact O-OG1 3.33Å; E451-T454 PolarHBondContact O-N 3.02Å; Y452-T454 PolarHBondContact O-N 2.97Å; T454-T458 WeakPolarHBondContact O-CB 3.34Å; T454-T458 PolarHBondContact O-N 3.35Å; T454-T458 PolarHBondContact O-OG1 2.87Å; T454-L490 HydrophobicContact CG2-CD2 3.93Å; T454-L490 HydrophobicContact CG2-CG 4.07Å
455	C	82	Confident	77.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69	-41.8	178.9	-78.9	0	0	0	0	112.9	L386 C388 I391 E451 Y452 F453 T458 R459	L386-C455 VanDerWaalsContact CD2-SG 3.58Å; C388-C455 WeakPolarHBondContact CA-SG 3.35Å; C388-C455 HydrophobicContact CB-CB 3.79Å; C388-C455 WeakPolarHBondContact CB-SG 3.34Å; C388-C455 WeakPolarHBondContact SG-CA 3.46Å; C388-C455 WeakPolarHBondContact SG-CB 3.45Å; C388-C455 CovalentContact SG-SG 2.06Å; C388-C455 PolarHBondContact SG-SG 2.71Å; I391-C455 HydrophobicContact CD1-CB 4.34Å; I391-C455 WeakPolarHBondContact CD1-SG 3.09Å; E451-C455 PolarHBondContact O-N 2.69Å; Y452-C455 PolarHBondContact O-N 3.12Å; F453-C455 VanDerWaalsContact C-N 3.34Å; F453-C455 PolarHBondContact O-N 3.38Å; C455-T458 PolarHBondContact O-N 2.94Å; C455-R459 WeakPolarHBondContact O-CG 3.41Å; C455-R459 PolarHBondContact O-N 2.93Å
456	E	80	Confident	77.7	Confident	23 Å²	23	37.7 Å²	37.7	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-42.6	175.5	-75	-60	139.2	0	0	112.2	T393 L394 Y452 F453 T458 R459 L460	T393-E456 VanDerWaalsContact CA-OE1 3.3Å; T393-E456 WeakPolarHBondContact CA-OE1 3.47Å; L394-E456 PolarHBondContact N-OE1 3.43Å; Y452-E456 HydrophobicContact CD1-CG 4.47Å; Y452-E456 HydrophobicContact CD2-CG 4.49Å; Y452-E456 HydrophobicContact CE1-CG 3.9Å; Y452-E456 HydrophobicContact CE2-CG 3.9Å; Y452-E456 PolarHBondContact O-N 2.93Å; F453-E456 PolarHBondContact O-N 3.4Å; E456-T458 VanDerWaalsContact C-N 3.35Å; E456-R459 PolarHBondContact O-N 2.97Å; E456-R459 IonicContact OE1-CZ 3.43Å; E456-R459 IonicContact OE1-NH1 3.08Å; E456-R459 PolarHBondContact OE1-NH1 2.92Å; E456-L460 PolarHBondContact O-N 3.35Å
457	L	83.2	Confident	77.5	Confident	17 Å²	17	35.7 Å²	35.7	9%	0.089	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-36.6	174.3	-75	-177.9	0	0	0	113	F453 R459 L460 L461 L490 H612 L613	F453-L457 HydrophobicContact CD1-CD1 3.84Å; F453-L457 HydrophobicContact CD1-CG 4.4Å; F453-L457 HydrophobicContact CE1-CD1 3.16Å; F453-L457 HydrophobicContact CE1-CG 3.96Å; F453-L457 HydrophobicContact CE2-CD1 4.49Å; F453-L457 HydrophobicContact CZ-CD1 3.56Å; F453-L457 HydrophobicContact CZ-CG 4.08Å; F453-L457 WeakPolarHBondContact O-CG 3.35Å; F453-L457 PolarHBondContact O-N 3.24Å; L457-R459 VanDerWaalsContact C-N 3.34Å; L457-L460 HydrophobicContact CD2-CD2 4.17Å; L457-L460 PolarHBondContact O-N 3.49Å; L457-L461 WeakPolarHBondContact O-CB 3.44Å; L457-L461 WeakPolarHBondContact O-CG 3.19Å; L457-L461 PolarHBondContact O-N 3.47Å; L457-L490 HydrophobicContact CB-CD1 4.24Å; L457-L490 HydrophobicContact CB-CD2 4.02Å; L457-L490 HydrophobicContact CD1-CD1 3.69Å; L457-H612 WeakPolarHBondContact CD1-NE2 3.35Å; L457-L613 HydrophobicContact CD1-CD2 4Å; L457-L613 HydrophobicContact CD2-CD2 3.8Å
458	T	83.2	Confident	77.2	Confident	24 Å²	24	38.7 Å²	38.7	15%	0.147	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-42	174.6	-56.9	0	0	0	0	110.5	T454 C455 E456 L461 L462 L487 L490	T454-T458 WeakPolarHBondContact O-CB 3.34Å; T454-T458 PolarHBondContact O-N 3.35Å; T454-T458 PolarHBondContact O-OG1 2.87Å; C455-T458 PolarHBondContact O-N 2.94Å; E456-T458 VanDerWaalsContact C-N 3.35Å; T458-L461 PolarHBondContact O-N 3.16Å; T458-L462 HydrophobicContact CG2-CD1 4.05Å; T458-L462 HydrophobicContact CG2-CG 4.41Å; T458-L462 WeakPolarHBondContact O-CB 3.35Å; T458-L462 VanDerWaalsContact O-CG 3.28Å; T458-L462 WeakPolarHBondContact O-CG 3.49Å; T458-L462 PolarHBondContact O-N 3.29Å; T458-L487 HydrophobicContact CG2-CD1 4.09Å; T458-L490 WeakPolarHBondContact OG1-CD2 3.5Å
459	R	79.5	Confident	76.7	Confident	24 Å²	24	37.1 Å²	37.1	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-44	174.1	-72.5	175.1	-175.1	144.3	-1.6	112	C388 I391 T393 F397 L399 C455 E456 L457 L461 L462 W463	C388-R459 PolarHBondContact O-NH2 3.46Å; I391-R459 PolarHBondContact O-NH2 3.02Å; T393-R459 VanDerWaalsContact CG2-NH2 3.27Å; F397-R459 HydrophobicContact CB-CB 4.4Å; L399-R459 HydrophobicContact CD1-CG 4.46Å; C455-R459 WeakPolarHBondContact O-CG 3.41Å; C455-R459 PolarHBondContact O-N 2.93Å; E456-R459 PolarHBondContact O-N 2.97Å; E456-R459 IonicContact OE1-CZ 3.43Å; E456-R459 IonicContact OE1-NH1 3.08Å; E456-R459 PolarHBondContact OE1-NH1 2.92Å; L457-R459 VanDerWaalsContact C-N 3.34Å; R459-L461 PolarHBondContact O-N 3.36Å; R459-L462 PolarHBondContact O-N 2.72Å; R459-W463 VanDerWaalsContact O-CB 3.26Å; R459-W463 WeakPolarHBondContact O-CB 3.46Å; R459-W463 PolarHBondContact O-N 3.15Å
460	L	81.4	Confident	75.8	Confident	20 Å²	20	36 Å²	36	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-45.9	174.5	175	71.6	0	0	0	111.6	F397 E456 L457 W463 L464	F397-L460 HydrophobicContact CD1-CD1 4.32Å; F397-L460 HydrophobicContact CD2-CB 4.43Å; F397-L460 HydrophobicContact CE1-CD1 3.62Å; F397-L460 HydrophobicContact CE2-CB 4.29Å; F397-L460 HydrophobicContact CE2-CD1 3.88Å; F397-L460 HydrophobicContact CZ-CD1 3.38Å; E456-L460 PolarHBondContact O-N 3.35Å; L457-L460 HydrophobicContact CD2-CD2 4.17Å; L457-L460 PolarHBondContact O-N 3.49Å; L460-W463 HydrophobicContact CD1-CE3 4.28Å; L460-W463 PolarHBondContact O-N 3.5Å; L460-L464 HydrophobicContact CG-CD1 4.46Å; L460-L464 WeakPolarHBondContact O-CG 3.21Å; L460-L464 PolarHBondContact O-N 3.44Å
461	L	82.4	Confident	74.8	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-44.4	179.2	-75.8	171.2	0	0	0	111.9	L457 T458 R459 W463 L464 E465 F486 F769 F773	L457-L461 WeakPolarHBondContact O-CB 3.44Å; L457-L461 WeakPolarHBondContact O-CG 3.19Å; L457-L461 PolarHBondContact O-N 3.47Å; T458-L461 PolarHBondContact O-N 3.16Å; R459-L461 PolarHBondContact O-N 3.36Å; L461-W463 VanDerWaalsContact C-N 3.29Å; L461-W463 PolarHBondContact O-N 2.93Å; L461-L464 PolarHBondContact O-N 3.31Å; L461-E465 WeakPolarHBondContact O-CB 3.24Å; L461-E465 PolarHBondContact O-N 3.04Å; L461-F486 HydrophobicContact CD1-CB 3.87Å; L461-F486 HydrophobicContact CD2-CB 3.65Å; L461-F486 HydrophobicContact CD2-CD2 3.84Å; L461-F486 HydrophobicContact CD2-CG 4.14Å; L461-F486 HydrophobicContact CG-CB 4.45Å; L461-F769 HydrophobicContact CD2-CE1 4.47Å; L461-F773 HydrophobicContact CD2-CZ 4.09Å
462	L	78.5	Confident	74.1	Confident	60 Å²	60	40.4 Å²	40.4	31%	0.314	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-36.5	174.9	-72	171.7	0	0	0	111.7	L399 T458 R459 E465 Q466	L399-L462 HydrophobicContact CD1-CB 4.33Å; L399-L462 HydrophobicContact CD1-CD1 4.04Å; T458-L462 HydrophobicContact CG2-CD1 4.05Å; T458-L462 HydrophobicContact CG2-CG 4.41Å; T458-L462 WeakPolarHBondContact O-CB 3.35Å; T458-L462 VanDerWaalsContact O-CG 3.28Å; T458-L462 WeakPolarHBondContact O-CG 3.49Å; T458-L462 PolarHBondContact O-N 3.29Å; R459-L462 PolarHBondContact O-N 2.72Å; L462-E465 PolarHBondContact O-N 2.94Å; L462-Q466 VanDerWaalsContact O-CG 3.29Å; L462-Q466 WeakPolarHBondContact O-CG 3.43Å; L462-Q466 PolarHBondContact O-N 2.84Å
463	W	76.5	Confident	73.6	Confident	63 Å²	63	48.9 Å²	48.9	24%	0.239	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-39.6	174.8	177.6	81.5	0	0	0	112.4	F397 R459 L460 L461 P469	F397-W463 HydrophobicContact CD1-CB 4.41Å; F397-W463 AromaticContact CD1-CD2 3.93Å; F397-W463 HydrophobicContact CD1-CD2 3.93Å; F397-W463 HydrophobicContact CD1-CE3 4.11Å; F397-W463 HydrophobicContact CD1-CG 4.06Å; F397-W463 HydrophobicContact CE1-CD2 4.3Å; F397-W463 HydrophobicContact CE1-CE3 4.04Å; F397-W463 HydrophobicContact CE1-CZ3 4.2Å; R459-W463 VanDerWaalsContact O-CB 3.26Å; R459-W463 WeakPolarHBondContact O-CB 3.46Å; R459-W463 PolarHBondContact O-N 3.15Å; L460-W463 HydrophobicContact CD1-CE3 4.28Å; L460-W463 PolarHBondContact O-N 3.5Å; L461-W463 VanDerWaalsContact C-N 3.29Å; L461-W463 PolarHBondContact O-N 2.93Å; W463-P469 HydrophobicContact CE3-CB 4.43Å; W463-P469 VanDerWaalsContact CH2-CA 3.47Å; W463-P469 HydrophobicContact CH2-CB 3.34Å; W463-P469 HydrophobicContact CZ2-CB 3.92Å; W463-P469 HydrophobicContact CZ3-CB 3.62Å; W463-P469 HydrophobicContact CZ3-CG 4.5Å
464	L	78.5	Confident	73.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-42.7	172.1	-74.4	173	0	0	0	112	L460 L461 Q466 G467 P469 S479 F769 T772	L460-L464 HydrophobicContact CG-CD1 4.46Å; L460-L464 WeakPolarHBondContact O-CG 3.21Å; L460-L464 PolarHBondContact O-N 3.44Å; L461-L464 PolarHBondContact O-N 3.31Å; L464-Q466 VanDerWaalsContact C-N 3.32Å; L464-Q466 PolarHBondContact O-N 2.9Å; L464-G467 PolarHBondContact O-N 3Å; L464-G467 VanDerWaalsContact O-N 3.11Å; L464-P469 HydrophobicContact CD2-CB 4.26Å; L464-P469 HydrophobicContact CD2-CG 3.92Å; L464-S479 PolarHBondContact O-OG 3.34Å; L464-F769 HydrophobicContact CB-CE1 3.93Å; L464-F769 HydrophobicContact CB-CE2 4.47Å; L464-F769 HydrophobicContact CB-CZ 3.79Å; L464-F769 HydrophobicContact CD1-CD1 3.84Å; L464-F769 HydrophobicContact CD1-CE1 3.71Å; L464-F769 HydrophobicContact CD1-CZ 4.38Å; L464-F769 HydrophobicContact CG-CE1 4.4Å; L464-T772 HydrophobicContact CD2-CG2 4.12Å
465	E	77.5	Confident	73.3	Confident	40 Å²	40	48.9 Å²	48.9	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-43.5	177.4	179.5	177.9	150.6	0	0	112	L461 L462 G467 S479 Y480	L461-E465 WeakPolarHBondContact O-CB 3.24Å; L461-E465 PolarHBondContact O-N 3.04Å; L462-E465 PolarHBondContact O-N 2.94Å; E465-G467 PolarHBondContact O-N 3.4Å; E465-G467 VanDerWaalsContact O-N 3.08Å; E465-S479 WeakPolarHBondContact CA-OG 3.41Å; E465-Y480 HydrophobicContact CG-CD2 4.17Å; E465-Y480 WeakPolarHBondContact OE1-CD2 3.35Å; E465-Y480 WeakPolarHBondContact OE1-CE2 3.38Å
466	Q	71.3	Confident	73.2	Confident	86 Å²	86	54.4 Å²	54.4	40%	0.402	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-1.7	179.3	-71.9	178.3	16.5	0	0	114.4	L462 L464 K468	L462-Q466 VanDerWaalsContact O-CG 3.29Å; L462-Q466 WeakPolarHBondContact O-CG 3.43Å; L462-Q466 PolarHBondContact O-N 2.84Å; L464-Q466 VanDerWaalsContact C-N 3.32Å; L464-Q466 PolarHBondContact O-N 2.9Å; Q466-K468 VanDerWaalsContact C-N 3.25Å; Q466-K468 HydrophobicContact CB-CD 4.24Å; Q466-K468 HydrophobicContact CB-CG 4.31Å; Q466-K468 PolarHBondContact O-N 2.89Å
467	G	63.9	Low	73.4	Confident	19 Å²	19	60.9 Å²	60.9	20%	0.196	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	22.8	175.1	0	0	0	0	0	113.9	L464 E465	L464-G467 PolarHBondContact O-N 3Å; L464-G467 VanDerWaalsContact O-N 3.11Å; E465-G467 PolarHBondContact O-N 3.4Å; E465-G467 VanDerWaalsContact O-N 3.08Å
468	K	63.1	Low	73.5	Confident	113 Å²	113	61 Å²	61	49%	0.491	33%	0.331	S	S	.	.			trans	-89.7	-2.8	-179.6	-68.1	174.8	-178.3	165.8	0	117.3	Q466 A470	Q466-K468 VanDerWaalsContact C-N 3.25Å; Q466-K468 HydrophobicContact CB-CD 4.24Å; Q466-K468 HydrophobicContact CB-CG 4.31Å; Q466-K468 PolarHBondContact O-N 2.89Å; K468-A470 PolarHBondContact O-N 3.39Å
469	P	60.3	Low	73.5	Confident	12 Å²	12	59.9 Å²	59.9	8%	0.078	32%	0.324	C	S	.	.	S	Bend	trans	-71.5	116.7	178.1	30.1	-34.7	0	0	0	111.2	W463 L464 G471 L472 I474	W463-P469 HydrophobicContact CE3-CB 4.43Å; W463-P469 VanDerWaalsContact CH2-CA 3.47Å; W463-P469 HydrophobicContact CH2-CB 3.34Å; W463-P469 HydrophobicContact CZ2-CB 3.92Å; W463-P469 HydrophobicContact CZ3-CB 3.62Å; W463-P469 HydrophobicContact CZ3-CG 4.5Å; L464-P469 HydrophobicContact CD2-CB 4.26Å; L464-P469 HydrophobicContact CD2-CG 3.92Å; P469-G471 VanDerWaalsContact C-N 3.31Å; P469-G471 PolarHBondContact O-N 3.08Å; P469-G471 VanDerWaalsContact O-N 3.14Å; P469-L472 PolarHBondContact O-N 3.19Å; P469-I474 HydrophobicContact CG-CD1 3.38Å
470	A	56.3	Low	73.8	Confident	92 Å²	92	64.5 Å²	64.5	76%	0.76	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	24	164	0	0	0	0	0	117.2	K468 L472	K468-A470 PolarHBondContact O-N 3.39Å; A470-L472 HydrophobicContact CB-CD1 4.15Å; A470-L472 PolarHBondContact O-N 3.25Å
471	G	56.8	Low	74	Confident	80 Å²	80	68.7 Å²	68.7	83%	0.825	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	11.7	175.5	0	0	0	0	0	114.7	P469	P469-G471 VanDerWaalsContact C-N 3.31Å; P469-G471 PolarHBondContact O-N 3.08Å; P469-G471 VanDerWaalsContact O-N 3.14Å
472	L	62.3	Low	74	Confident	88 Å²	88	69.8 Å²	69.8	46%	0.461	37%	0.369	S	S	.	.			trans	-73.4	130.4	174	-80.1	131.8	0	0	0	109.8	P469 A470 I474 T764	P469-L472 PolarHBondContact O-N 3.19Å; A470-L472 HydrophobicContact CB-CD1 4.15Å; A470-L472 PolarHBondContact O-N 3.25Å; L472-I474 VanDerWaalsContact C-N 3.29Å; L472-I474 HydrophobicContact CB-CD1 4.48Å; L472-I474 HydrophobicContact CB-CG1 4.23Å; L472-I474 WeakPolarHBondContact O-CG1 3.5Å; L472-I474 PolarHBondContact O-N 2.85Å; L472-T764 HydrophobicContact CB-CG2 4.08Å; L472-T764 HydrophobicContact CD2-CG2 3.48Å; L472-T764 VanDerWaalsContact CD2-CG2 3.48Å; L472-T764 HydrophobicContact CG-CG2 4.4Å
473	K	68	Low	74.3	Confident	201 Å²	201	67 Å²	67	87%	0.874	36%	0.355	S	S	*	.			trans	-70.1	86.4	174.9	-169.8	174	-177.8	176.1	0	109.6
474	I	73.7	Confident	74.7	Confident	17 Å²	17	66.4 Å²	66.4	9%	0.087	36%	0.355	C	S	.	.			trans	-83.7	140.2	-177.9	-72.1	167.9	0	0	0	109.7	P469 L472 I476 T765 A768	P469-I474 HydrophobicContact CG-CD1 3.38Å; L472-I474 VanDerWaalsContact C-N 3.29Å; L472-I474 HydrophobicContact CB-CD1 4.48Å; L472-I474 HydrophobicContact CB-CG1 4.23Å; L472-I474 WeakPolarHBondContact O-CG1 3.5Å; L472-I474 PolarHBondContact O-N 2.85Å; I474-I476 PolarHBondContact O-N 3.47Å; I474-T765 HydrophobicContact CB-CG2 3.99Å; I474-T765 HydrophobicContact CG1-CG2 4.38Å; I474-T765 HydrophobicContact CG2-CG2 3.37Å; I474-A768 HydrophobicContact CD1-CB 4.11Å
475	N	81	Confident	75	Confident	40 Å²	40	70.3 Å²	70.3	21%	0.214	37%	0.372	C	S	.	.			trans	-68.2	108.3	168.1	-173.5	-45.1	0	0	0	110.2	H477 L478 S479 L762 T765	N475-H477 VanDerWaalsContact C-N 3.31Å; N475-H477 PolarHBondContact O-N 3.49Å; N475-H477 WeakPolarHBondContact OD1-CB 3.49Å; N475-H477 PolarHBondContact OD1-N 3.32Å; N475-L478 HydrophobicContact CB-CB 4.38Å; N475-L478 PolarHBondContact O-N 3.25Å; N475-L478 PolarHBondContact OD1-N 3.27Å; N475-S479 PolarHBondContact O-N 3.35Å; N475-L762 HydrophobicContact CB-CD2 4.18Å; N475-L762 VanDerWaalsContact ND2-CD2 3.33Å; N475-L762 WeakPolarHBondContact ND2-CD2 3.27Å; N475-T765 HydrophobicContact CB-CG2 3.58Å
476	I	80.8	Confident	75.5	Confident	117 Å²	117	68.4 Å²	68.4	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-60	-39.9	-176.1	-61.4	163.9	0	0	0	111.5	I474 L478 S479 Y480	I474-I476 PolarHBondContact O-N 3.47Å; I476-L478 PolarHBondContact O-N 3.34Å; I476-S479 PolarHBondContact O-N 2.85Å; I476-Y480 WeakPolarHBondContact O-CB 3.43Å; I476-Y480 PolarHBondContact O-N 2.97Å
477	H	84.4	Confident	76.2	Confident	158 Å²	158	66.7 Å²	66.7	73%	0.731	36%	0.357	S	S	*	.	H	α-helix	trans	-65.9	-41.7	-178.5	-66	-73.1	0	0	0	112.5	N475 L481	N475-H477 VanDerWaalsContact C-N 3.31Å; N475-H477 PolarHBondContact O-N 3.49Å; N475-H477 WeakPolarHBondContact OD1-CB 3.49Å; N475-H477 PolarHBondContact OD1-N 3.32Å; H477-L481 WeakPolarHBondContact O-CB 3.46Å; H477-L481 PolarHBondContact O-N 3.46Å
478	L	83.7	Confident	77.2	Confident	21 Å²	21	73.2 Å²	73.2	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-71.5	-37.1	176.1	-178.1	56.2	0	0	0	111.3	N475 I476 Y480 L481 M482 L762 T765 T766	N475-L478 HydrophobicContact CB-CB 4.38Å; N475-L478 PolarHBondContact O-N 3.25Å; N475-L478 PolarHBondContact OD1-N 3.27Å; I476-L478 PolarHBondContact O-N 3.34Å; L478-Y480 VanDerWaalsContact C-N 3.34Å; L478-L481 HydrophobicContact CD1-CD2 4.3Å; L478-L481 PolarHBondContact O-N 3.21Å; L478-M482 HydrophobicContact CD1-CE 3.9Å; L478-M482 HydrophobicContact CD1-CG 4.16Å; L478-M482 HydrophobicContact CG-CG 4.49Å; L478-M482 WeakPolarHBondContact O-CB 3.47Å; L478-M482 WeakPolarHBondContact O-CG 3.35Å; L478-M482 PolarHBondContact O-N 3.03Å; L478-L762 HydrophobicContact CB-CD2 3.84Å; L478-L762 HydrophobicContact CD2-CB 3.73Å; L478-L762 HydrophobicContact CD2-CD2 3.57Å; L478-L762 HydrophobicContact CD2-CG 4.12Å; L478-L762 HydrophobicContact CG-CD2 4.29Å; L478-T765 WeakPolarHBondContact CD2-OG1 2.99Å; L478-T766 HydrophobicContact CD2-CG2 4.04Å
479	S	84.3	Confident	78.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-43.9	174.9	-153.3	0	0	0	0	111.7	L464 E465 N475 I476 M482 G483 F769	L464-S479 PolarHBondContact O-OG 3.34Å; E465-S479 WeakPolarHBondContact CA-OG 3.41Å; N475-S479 PolarHBondContact O-N 3.35Å; I476-S479 PolarHBondContact O-N 2.85Å; S479-M482 PolarHBondContact O-N 2.93Å; S479-G483 PolarHBondContact O-N 2.99Å; S479-F769 WeakPolarHBondContact OG-CE2 3.28Å
480	Y	84.8	Confident	79.6	Confident	120 Å²	120	69.9 Å²	69.9	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-59.2	-48.5	173.5	-175.6	-94.2	0	0	0	112.3	E465 I476 L478 M482 G483 Q484	E465-Y480 HydrophobicContact CG-CD2 4.17Å; E465-Y480 WeakPolarHBondContact OE1-CD2 3.35Å; E465-Y480 WeakPolarHBondContact OE1-CE2 3.38Å; I476-Y480 WeakPolarHBondContact O-CB 3.43Å; I476-Y480 PolarHBondContact O-N 2.97Å; L478-Y480 VanDerWaalsContact C-N 3.34Å; Y480-M482 VanDerWaalsContact C-N 3.34Å; Y480-M482 PolarHBondContact O-N 2.97Å; Y480-G483 PolarHBondContact O-N 2.88Å; Y480-Q484 HydrophobicContact CD1-CG 4.11Å; Y480-Q484 HydrophobicContact CE1-CG 3.73Å; Y480-Q484 HydrophobicContact CE2-CG 4.32Å; Y480-Q484 WeakPolarHBondContact O-CB 3.48Å; Y480-Q484 VanDerWaalsContact O-CG 3.29Å; Y480-Q484 WeakPolarHBondContact O-CG 3.45Å; Y480-Q484 PolarHBondContact O-N 3Å; Y480-Q484 PolarHBondContact OH-NE2 3.01Å
481	L	85.4	Confident	80.9	Confident	108 Å²	108	68.5 Å²	68.5	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-60.2	-44.3	178.2	-175.8	71.9	0	0	0	111.9	H477 L478 F485	H477-L481 WeakPolarHBondContact O-CB 3.46Å; H477-L481 PolarHBondContact O-N 3.46Å; L478-L481 HydrophobicContact CD1-CD2 4.3Å; L478-L481 PolarHBondContact O-N 3.21Å; L481-F485 WeakPolarHBondContact O-CB 3.31Å; L481-F485 PolarHBondContact O-N 2.88Å
482	M	83.6	Confident	82.2	Confident	29 Å²	29	67.6 Å²	67.6	14%	0.143	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-42.7	177.9	-72.5	-66.4	148.3	0	0	111.9	L478 S479 Y480 F485 F486 L623 F769	L478-M482 HydrophobicContact CD1-CE 3.9Å; L478-M482 HydrophobicContact CD1-CG 4.16Å; L478-M482 HydrophobicContact CG-CG 4.49Å; L478-M482 WeakPolarHBondContact O-CB 3.47Å; L478-M482 WeakPolarHBondContact O-CG 3.35Å; L478-M482 PolarHBondContact O-N 3.03Å; S479-M482 PolarHBondContact O-N 2.93Å; Y480-M482 VanDerWaalsContact C-N 3.34Å; Y480-M482 PolarHBondContact O-N 2.97Å; M482-F485 PolarHBondContact O-N 2.99Å; M482-F486 HydrophobicContact CB-CD2 4.4Å; M482-F486 HydrophobicContact CB-CE2 4.03Å; M482-F486 WeakPolarHBondContact O-CD2 3.36Å; M482-F486 WeakPolarHBondContact O-CG 3.41Å; M482-F486 PolarHBondContact O-N 3.5Å; M482-F486 HydrophobicContact SD-CE2 4.38Å; M482-F486 HydrophobicContact SD-CZ 4.37Å; M482-L623 HydrophobicContact CE-CD1 4.07Å; M482-L623 HydrophobicContact CE-CD2 3.25Å; M482-L623 HydrophobicContact CE-CG 4.28Å; M482-L623 HydrophobicContact SD-CD2 3.77Å; M482-F769 HydrophobicContact CB-CD2 4.43Å; M482-F769 HydrophobicContact CB-CE1 4.1Å; M482-F769 HydrophobicContact CB-CE2 4.02Å; M482-F769 HydrophobicContact CB-CZ 3.82Å
483	G	83.6	Confident	83.4	Confident	2 Å²	2	64 Å²	64	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-50.4	175.7	0	0	0	0	0	112	S479 Y480 F485 F486 L487	S479-G483 PolarHBondContact O-N 2.99Å; Y480-G483 PolarHBondContact O-N 2.88Å; G483-F485 PolarHBondContact O-N 2.92Å; G483-F486 PolarHBondContact O-N 2.89Å; G483-L487 VanDerWaalsContact O-CB 3.31Å; G483-L487 WeakPolarHBondContact O-CB 3.5Å; G483-L487 PolarHBondContact O-N 3.3Å
484	Q	84.6	Confident	84.1	Confident	50 Å²	50	55.9 Å²	55.9	23%	0.234	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-47	175.6	-72.1	-69.6	-24.7	0	0	111.7	Y480 F486 L487 Y488	Y480-Q484 HydrophobicContact CD1-CG 4.11Å; Y480-Q484 HydrophobicContact CE1-CG 3.73Å; Y480-Q484 HydrophobicContact CE2-CG 4.32Å; Y480-Q484 WeakPolarHBondContact O-CB 3.48Å; Y480-Q484 VanDerWaalsContact O-CG 3.29Å; Y480-Q484 WeakPolarHBondContact O-CG 3.45Å; Y480-Q484 PolarHBondContact O-N 3Å; Y480-Q484 PolarHBondContact OH-NE2 3.01Å; Q484-F486 PolarHBondContact O-N 2.92Å; Q484-L487 WeakPolarHBondContact O-CB 3.48Å; Q484-L487 PolarHBondContact O-N 3.45Å; Q484-Y488 WeakPolarHBondContact O-CD2 3.28Å; Q484-Y488 PolarHBondContact O-N 2.67Å; Q484-Y488 VanDerWaalsContact O-N 3.08Å
485	F	86.1	Confident	84.3	Confident	83 Å²	83	58 Å²	58	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-45.7	178.3	176.2	-96.9	0	0	0	112.5	L481 M482 G483 H489 Y619	L481-F485 WeakPolarHBondContact O-CB 3.31Å; L481-F485 PolarHBondContact O-N 2.88Å; M482-F485 PolarHBondContact O-N 2.99Å; G483-F485 PolarHBondContact O-N 2.92Å; F485-H489 AromaticContact CD2-CE1 3.98Å; F485-H489 AromaticContact CE1-CE1 3.64Å; F485-H489 AromaticContact CE1-ND1 3.92Å; F485-H489 AromaticContact CE2-CE1 3.38Å; F485-H489 WeakPolarHBondContact CE2-CE1 3.19Å; F485-H489 AromaticContact CZ-CE1 3.18Å; F485-H489 WeakPolarHBondContact CZ-CE1 3.19Å; F485-H489 AromaticContact CZ-ND1 3.9Å; F485-H489 AromaticContact CZ-NE2 3.88Å; F485-H489 PolarHBondContact O-N 2.91Å; F485-H489 PolarHBondContact O-ND1 3.33Å; F485-Y619 AromaticContact CE1-CD2 3.58Å; F485-Y619 HydrophobicContact CE1-CD2 3.58Å; F485-Y619 AromaticContact CE1-CE2 3.97Å; F485-Y619 HydrophobicContact CE1-CE2 3.97Å; F485-Y619 HydrophobicContact CE1-CG 4.01Å; F485-Y619 HydrophobicContact CZ-CD2 4.06Å; F485-Y619 HydrophobicContact CZ-CE2 4.08Å; F485-Y619 HydrophobicContact CZ-CG 4.38Å
486	F	87.8	Confident	84.4	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-70.1	-33.1	177.6	-64.2	-45.1	0	0	0	112.6	L461 M482 G483 Q484 H489 L490 F616 Y619 F769 F773	L461-F486 HydrophobicContact CD1-CB 3.87Å; L461-F486 HydrophobicContact CD2-CB 3.65Å; L461-F486 HydrophobicContact CD2-CD2 3.84Å; L461-F486 HydrophobicContact CD2-CG 4.14Å; L461-F486 HydrophobicContact CG-CB 4.45Å; M482-F486 HydrophobicContact CB-CD2 4.4Å; M482-F486 HydrophobicContact CB-CE2 4.03Å; M482-F486 WeakPolarHBondContact O-CD2 3.36Å; M482-F486 WeakPolarHBondContact O-CG 3.41Å; M482-F486 PolarHBondContact O-N 3.5Å; M482-F486 HydrophobicContact SD-CE2 4.38Å; M482-F486 HydrophobicContact SD-CZ 4.37Å; G483-F486 PolarHBondContact O-N 2.89Å; Q484-F486 PolarHBondContact O-N 2.92Å; F486-H489 PolarHBondContact O-N 3.34Å; F486-L490 PolarHBondContact O-N 3.35Å; F486-F616 HydrophobicContact CB-CD1 4.47Å; F486-F616 HydrophobicContact CB-CE1 4.13Å; F486-F616 HydrophobicContact CB-CE2 4.27Å; F486-F616 HydrophobicContact CB-CZ 4.01Å; F486-F616 HydrophobicContact CD1-CB 4.18Å; F486-F616 AromaticContact CD1-CD1 3.32Å; F486-F616 HydrophobicContact CD1-CD1 3.32Å; F486-F616 HydrophobicContact CD1-CD2 4.39Å; F486-F616 AromaticContact CD1-CE1 3.7Å; F486-F616 HydrophobicContact CD1-CE1 3.7Å; F486-F616 AromaticContact CD1-CG 3.72Å; F486-F616 HydrophobicContact CD1-CG 3.72Å; F486-F616 HydrophobicContact CD1-CZ 4.37Å; F486-F616 HydrophobicContact CE1-CB 4.05Å; F486-F616 AromaticContact CE1-CD1 3.87Å; F486-F616 HydrophobicContact CE1-CD1 3.87Å; F486-F616 HydrophobicContact CE1-CG 4.1Å; F486-F616 HydrophobicContact CG-CD1 4.18Å; F486-F616 HydrophobicContact CG-CE1 4.32Å; F486-F616 HydrophobicContact CG-CG 4.33Å; F486-F616 WeakPolarHBondContact O-CZ 3.36Å; F486-Y619 HydrophobicContact CE1-CD2 4.28Å; F486-F769 HydrophobicContact CD2-CD1 4.1Å; F486-F769 AromaticContact CD2-CE1 3.95Å; F486-F769 HydrophobicContact CD2-CE1 3.95Å; F486-F769 AromaticContact CE2-CD1 3.57Å; F486-F769 HydrophobicContact CE2-CD1 3.57Å; F486-F769 AromaticContact CE2-CE1 3.85Å; F486-F769 HydrophobicContact CE2-CE1 3.85Å; F486-F769 HydrophobicContact CE2-CG 4.39Å; F486-F773 AromaticContact CD2-CE2 3.9Å; F486-F773 HydrophobicContact CD2-CE2 3.9Å; F486-F773 HydrophobicContact CD2-CZ 4.03Å; F486-F773 HydrophobicContact CE1-CE2 4.39Å; F486-F773 AromaticContact CE2-CE2 3.52Å; F486-F773 HydrophobicContact CE2-CE2 3.52Å; F486-F773 HydrophobicContact CE2-CZ 4.14Å; F486-F773 HydrophobicContact CG-CZ 4.41Å; F486-F773 HydrophobicContact CZ-CD2 4.5Å; F486-F773 AromaticContact CZ-CE2 3.79Å; F486-F773 HydrophobicContact CZ-CE2 3.79Å
487	L	85.6	Confident	84.5	Confident	50 Å²	50	56.8 Å²	56.8	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-44	176.1	-174	65.9	0	0	0	111.9	T458 G483 Q484 H489 L490 L491	T458-L487 HydrophobicContact CG2-CD1 4.09Å; G483-L487 VanDerWaalsContact O-CB 3.31Å; G483-L487 WeakPolarHBondContact O-CB 3.5Å; G483-L487 PolarHBondContact O-N 3.3Å; Q484-L487 WeakPolarHBondContact O-CB 3.48Å; Q484-L487 PolarHBondContact O-N 3.45Å; L487-H489 VanDerWaalsContact C-N 3.3Å; L487-H489 PolarHBondContact O-N 3.49Å; L487-L490 WeakPolarHBondContact O-CB 3.3Å; L487-L490 PolarHBondContact O-N 3.46Å; L487-L491 HydrophobicContact CG-CD1 4.44Å; L487-L491 WeakPolarHBondContact O-CG 3Å; L487-L491 PolarHBondContact O-N 3.1Å
488	Y	84.9	Confident	84.1	Confident	156 Å²	156	51.8 Å²	51.8	61%	0.612	25%	0.254	S	S	*	.	H	α-helix	trans	-59.3	-40.6	175.2	-78.3	-67.7	0	0	0	112.5	Q484 L491 A492	Q484-Y488 WeakPolarHBondContact O-CD2 3.28Å; Q484-Y488 PolarHBondContact O-N 2.67Å; Q484-Y488 VanDerWaalsContact O-N 3.08Å; Y488-L491 PolarHBondContact O-N 2.84Å; Y488-A492 WeakPolarHBondContact O-CB 3.36Å; Y488-A492 PolarHBondContact O-N 2.06Å
489	H	86.9	Confident	83.9	Confident	54 Å²	54	55.4 Å²	55.4	25%	0.25	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-36.9	176.6	-76.1	78.5	0	0	0	112.5	F485 F486 L487 A492 W493 F616 Y619	F485-H489 AromaticContact CD2-CE1 3.98Å; F485-H489 AromaticContact CE1-CE1 3.64Å; F485-H489 AromaticContact CE1-ND1 3.92Å; F485-H489 AromaticContact CE2-CE1 3.38Å; F485-H489 WeakPolarHBondContact CE2-CE1 3.19Å; F485-H489 AromaticContact CZ-CE1 3.18Å; F485-H489 WeakPolarHBondContact CZ-CE1 3.19Å; F485-H489 AromaticContact CZ-ND1 3.9Å; F485-H489 AromaticContact CZ-NE2 3.88Å; F485-H489 PolarHBondContact O-N 2.91Å; F485-H489 PolarHBondContact O-ND1 3.33Å; F486-H489 PolarHBondContact O-N 3.34Å; L487-H489 VanDerWaalsContact C-N 3.3Å; L487-H489 PolarHBondContact O-N 3.49Å; H489-A492 PolarHBondContact O-N 2.89Å; H489-W493 WeakPolarHBondContact O-CB 3.16Å; H489-W493 PolarHBondContact O-N 2.85Å; H489-F616 HydrophobicContact CB-CE1 3.48Å; H489-F616 VanDerWaalsContact CB-CE1 3.48Å; H489-F616 HydrophobicContact CB-CZ 3.99Å; H489-Y619 AromaticContact CD2-CE2 3.82Å; H489-Y619 AromaticContact NE2-CE2 3.59Å; H489-Y619 AromaticContact NE2-CZ 3.86Å; H489-Y619 PolarHBondContact NE2-OH 3.38Å
490	L	86.8	Confident	83.5	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-43	174.9	-174.3	68.7	0	0	0	111.1	T454 L457 T458 F486 L487 W493 R494	T454-L490 HydrophobicContact CG2-CD2 3.93Å; T454-L490 HydrophobicContact CG2-CG 4.07Å; L457-L490 HydrophobicContact CB-CD1 4.24Å; L457-L490 HydrophobicContact CB-CD2 4.02Å; L457-L490 HydrophobicContact CD1-CD1 3.69Å; T458-L490 WeakPolarHBondContact OG1-CD2 3.5Å; F486-L490 PolarHBondContact O-N 3.35Å; L487-L490 WeakPolarHBondContact O-CB 3.3Å; L487-L490 PolarHBondContact O-N 3.46Å; L490-W493 HydrophobicContact CD1-CE3 4.01Å; L490-W493 HydrophobicContact CD1-CZ3 4.36Å; L490-W493 PolarHBondContact O-N 2.76Å; L490-R494 WeakPolarHBondContact O-CB 3.48Å; L490-R494 PolarHBondContact O-N 2.87Å
491	L	83.2	Confident	83	Confident	62 Å²	62	52 Å²	52	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-40.8	174.8	-70.5	170.4	0	0	0	112.2	L487 Y488 R494 S495	L487-L491 HydrophobicContact CG-CD1 4.44Å; L487-L491 WeakPolarHBondContact O-CG 3Å; L487-L491 PolarHBondContact O-N 3.1Å; Y488-L491 PolarHBondContact O-N 2.84Å; L491-R494 PolarHBondContact O-N 2.92Å; L491-S495 WeakPolarHBondContact O-CB 3.32Å; L491-S495 PolarHBondContact O-N 2.69Å; L491-S495 PolarHBondContact O-OG 3.29Å
492	A	84.4	Confident	82.6	Confident	61 Å²	61	51.8 Å²	51.8	50%	0.504	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-45.3	174.6	0	0	0	0	0	111.5	Y488 H489 S495 Y496	Y488-A492 WeakPolarHBondContact O-CB 3.36Å; Y488-A492 PolarHBondContact O-N 2.06Å; H489-A492 PolarHBondContact O-N 2.89Å; A492-S495 PolarHBondContact O-N 2.84Å; A492-Y496 WeakPolarHBondContact O-CB 3.45Å; A492-Y496 PolarHBondContact O-N 3.1Å
493	W	87	Confident	82	Confident	12 Å²	12	52.8 Å²	52.8	5%	0.045	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-44.8	175.4	170.4	83.5	0	0	0	111.9	I450 F453 H489 L490 S495 Y496 V497 L608 I609 H612	I450-W493 HydrophobicContact CG2-CH2 4.14Å; I450-W493 HydrophobicContact CG2-CZ3 4.18Å; F453-W493 AromaticContact CD1-CH2 3.76Å; F453-W493 HydrophobicContact CD1-CH2 3.76Å; F453-W493 HydrophobicContact CD1-CZ3 4.09Å; F453-W493 HydrophobicContact CE1-CH2 4.2Å; H489-W493 WeakPolarHBondContact O-CB 3.16Å; H489-W493 PolarHBondContact O-N 2.85Å; L490-W493 HydrophobicContact CD1-CE3 4.01Å; L490-W493 HydrophobicContact CD1-CZ3 4.36Å; L490-W493 PolarHBondContact O-N 2.76Å; W493-S495 VanDerWaalsContact C-N 3.29Å; W493-S495 PolarHBondContact O-N 3Å; W493-Y496 WeakPolarHBondContact O-CB 3.45Å; W493-Y496 PolarHBondContact O-N 2.67Å; W493-Y496 VanDerWaalsContact O-N 3.15Å; W493-V497 HydrophobicContact CD2-CG2 4.1Å; W493-V497 HydrophobicContact CG-CG2 4.31Å; W493-V497 HydrophobicContact CZ2-CG2 3.85Å; W493-V497 WeakPolarHBondContact O-CG2 3.45Å; W493-V497 PolarHBondContact O-N 2.8Å; W493-L608 PolarHBondContact NE1-O 3.47Å; W493-I609 HydrophobicContact CH2-CG2 4.48Å; W493-I609 HydrophobicContact CZ2-CB 4.35Å; W493-I609 HydrophobicContact CZ2-CG2 4.04Å; W493-I609 WeakPolarHBondContact CZ2-O 3.03Å; W493-I609 PolarHBondContact NE1-O 3.38Å; W493-H612 HydrophobicContact CB-CB 4.04Å; W493-H612 AromaticContact CD1-ND1 3.33Å; W493-H612 VanDerWaalsContact CD1-ND1 3.33Å; W493-H612 AromaticContact CD2-CE1 3.62Å; W493-H612 AromaticContact CD2-ND1 3.22Å; W493-H612 AromaticContact CE2-CE1 3.52Å; W493-H612 AromaticContact CE2-ND1 3.26Å; W493-H612 VanDerWaalsContact CE2-ND1 3.26Å; W493-H612 AromaticContact CE3-CE1 3.91Å; W493-H612 AromaticContact CE3-ND1 3.9Å; W493-H612 HydrophobicContact CG-CB 4.05Å; W493-H612 AromaticContact CG-CG 3.85Å; W493-H612 AromaticContact CG-ND1 3.29Å; W493-H612 VanDerWaalsContact CG-ND1 3.29Å; W493-H612 AromaticContact CZ2-CE1 3.78Å; W493-H612 AromaticContact CZ2-ND1 3.99Å; W493-H612 AromaticContact NE1-CE1 3.94Å; W493-H612 AromaticContact NE1-ND1 3.28Å; W493-H612 PolarHBondContact NE1-ND1 2.86Å
494	R	83.1	Confident	81.3	Confident	31 Å²	31	56.5 Å²	56.5	12%	0.117	28%	0.279	C	S	.	.	H	α-helix	trans	-55.9	-46.3	175.6	-177.6	-173.9	73	178.2	5.4	111.2	L490 L491 T498	L490-R494 WeakPolarHBondContact O-CB 3.48Å; L490-R494 PolarHBondContact O-N 2.87Å; L491-R494 PolarHBondContact O-N 2.92Å; R494-T498 VanDerWaalsContact O-CB 3.24Å; R494-T498 WeakPolarHBondContact O-CB 3.07Å; R494-T498 PolarHBondContact O-N 3.44Å; R494-T498 PolarHBondContact O-OG1 3.47Å
495	S	79	Confident	80.5	Confident	63 Å²	63	55.9 Å²	55.9	44%	0.441	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-42.4	178.9	-53.6	0	0	0	0	111.2	L491 A492 W493 F499	L491-S495 WeakPolarHBondContact O-CB 3.32Å; L491-S495 PolarHBondContact O-N 2.69Å; L491-S495 PolarHBondContact O-OG 3.29Å; A492-S495 PolarHBondContact O-N 2.84Å; W493-S495 VanDerWaalsContact C-N 3.29Å; W493-S495 PolarHBondContact O-N 3Å; S495-F499 WeakPolarHBondContact O-CB 3.24Å; S495-F499 PolarHBondContact O-N 3.42Å
496	Y	83.1	Confident	79.5	Confident	125 Å²	125	54.7 Å²	54.7	49%	0.49	27%	0.27	S	S	.	.	H	α-helix	trans	-64.1	-47	176.9	176.5	-105.5	0	0	0	113.1	A492 W493 F499 I500 L608	A492-Y496 WeakPolarHBondContact O-CB 3.45Å; A492-Y496 PolarHBondContact O-N 3.1Å; W493-Y496 WeakPolarHBondContact O-CB 3.45Å; W493-Y496 PolarHBondContact O-N 2.67Å; W493-Y496 VanDerWaalsContact O-N 3.15Å; Y496-F499 WeakPolarHBondContact O-CB 3.21Å; Y496-F499 PolarHBondContact O-N 3.47Å; Y496-I500 HydrophobicContact CD1-CD1 3.91Å; Y496-I500 HydrophobicContact CE1-CD1 3.3Å; Y496-I500 HydrophobicContact CE1-CG1 4.4Å; Y496-I500 HydrophobicContact CE2-CD1 4.02Å; Y496-I500 HydrophobicContact CE2-CG1 4.47Å; Y496-I500 WeakPolarHBondContact O-CG1 3.26Å; Y496-I500 PolarHBondContact O-N 3.3Å; Y496-L608 HydrophobicContact CE1-CD1 3.94Å
497	V	81.4	Confident	78.3	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-40.9	178.8	179.5	0	0	0	0	110.9	I450 W493 F499 I500 I501	I450-V497 HydrophobicContact CD1-CB 4.45Å; I450-V497 HydrophobicContact CD1-CG1 3.38Å; I450-V497 HydrophobicContact CG1-CG1 4.18Å; W493-V497 HydrophobicContact CD2-CG2 4.1Å; W493-V497 HydrophobicContact CG-CG2 4.31Å; W493-V497 HydrophobicContact CZ2-CG2 3.85Å; W493-V497 WeakPolarHBondContact O-CG2 3.45Å; W493-V497 PolarHBondContact O-N 2.8Å; V497-F499 VanDerWaalsContact C-N 3.26Å; V497-F499 PolarHBondContact O-N 3.1Å; V497-I500 PolarHBondContact O-N 3.23Å; V497-I500 VanDerWaalsContact O-N 3.16Å; V497-I501 HydrophobicContact CG1-CD1 3.9Å; V497-I501 HydrophobicContact CG1-CG1 4.36Å; V497-I501 WeakPolarHBondContact O-CG1 3.33Å; V497-I501 PolarHBondContact O-N 3.36Å
498	T	76.8	Confident	77.3	Confident	53 Å²	53	57.8 Å²	57.8	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-57.3	-42.6	173.6	-61.3	0	0	0	0	111.1	Y447 R494 I501 Q502	Y447-T498 HydrophobicContact CE1-CG2 3.93Å; Y447-T498 PolarHBondContact OH-O 2.93Å; R494-T498 VanDerWaalsContact O-CB 3.24Å; R494-T498 WeakPolarHBondContact O-CB 3.07Å; R494-T498 PolarHBondContact O-N 3.44Å; R494-T498 PolarHBondContact O-OG1 3.47Å; T498-I501 PolarHBondContact O-N 2.93Å; T498-Q502 WeakPolarHBondContact O-CB 3.39Å; T498-Q502 PolarHBondContact O-N 3.44Å
499	F	78.7	Confident	76.1	Confident	96 Å²	96	54.7 Å²	54.7	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-45.1	175.1	175.2	-96.9	0	0	0	112.3	S495 Y496 V497 I501 Q502 L503	S495-F499 WeakPolarHBondContact O-CB 3.24Å; S495-F499 PolarHBondContact O-N 3.42Å; Y496-F499 WeakPolarHBondContact O-CB 3.21Å; Y496-F499 PolarHBondContact O-N 3.47Å; V497-F499 VanDerWaalsContact C-N 3.26Å; V497-F499 PolarHBondContact O-N 3.1Å; F499-I501 VanDerWaalsContact C-N 3.32Å; F499-I501 PolarHBondContact O-N 2.98Å; F499-Q502 PolarHBondContact O-N 3.45Å; F499-L503 WeakPolarHBondContact O-CB 3.22Å; F499-L503 PolarHBondContact O-N 2.91Å
500	I	76.6	Confident	74.9	Confident	44 Å²	44	54.5 Å²	54.5	23%	0.226	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-42.4	176	-73	175.4	0	0	0	111.4	Y496 V497 L503 L504 L608	Y496-I500 HydrophobicContact CD1-CD1 3.91Å; Y496-I500 HydrophobicContact CE1-CD1 3.3Å; Y496-I500 HydrophobicContact CE1-CG1 4.4Å; Y496-I500 HydrophobicContact CE2-CD1 4.02Å; Y496-I500 HydrophobicContact CE2-CG1 4.47Å; Y496-I500 WeakPolarHBondContact O-CG1 3.26Å; Y496-I500 PolarHBondContact O-N 3.3Å; V497-I500 PolarHBondContact O-N 3.23Å; V497-I500 VanDerWaalsContact O-N 3.16Å; I500-L503 WeakPolarHBondContact O-CB 3.37Å; I500-L503 PolarHBondContact O-N 2.8Å; I500-L504 WeakPolarHBondContact O-CB 3.47Å; I500-L504 PolarHBondContact O-N 3.22Å; I500-L608 HydrophobicContact CD1-CD1 3.91Å; I500-L608 HydrophobicContact CD1-CD2 4.28Å; I500-L608 HydrophobicContact CG2-CD2 4.43Å
501	I	74.6	Confident	73.3	Confident	5 Å²	5	58 Å²	58	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-45.6	178.7	-70.1	169.1	0	0	0	110.3	M443 L446 Y447 I450 V497 T498 F499 L503 L504 I505	M443-I501 HydrophobicContact CE-CG2 3.56Å; L446-I501 HydrophobicContact CD2-CD1 3.43Å; L446-I501 VanDerWaalsContact CD2-CD1 3.43Å; L446-I501 HydrophobicContact CD2-CG1 3.67Å; L446-I501 HydrophobicContact CG-CD1 3.74Å; Y447-I501 HydrophobicContact CD2-CG2 4.38Å; Y447-I501 HydrophobicContact CE1-CD1 4.29Å; Y447-I501 HydrophobicContact CE1-CG2 4.35Å; Y447-I501 HydrophobicContact CE2-CB 4.49Å; Y447-I501 HydrophobicContact CE2-CG2 3.51Å; Y447-I501 VanDerWaalsContact CZ-CG2 3.49Å; Y447-I501 WeakPolarHBondContact OH-CG2 3.45Å; I450-I501 HydrophobicContact CD1-CD1 3.19Å; V497-I501 HydrophobicContact CG1-CD1 3.9Å; V497-I501 HydrophobicContact CG1-CG1 4.36Å; V497-I501 WeakPolarHBondContact O-CG1 3.33Å; V497-I501 PolarHBondContact O-N 3.36Å; T498-I501 PolarHBondContact O-N 2.93Å; F499-I501 VanDerWaalsContact C-N 3.32Å; F499-I501 PolarHBondContact O-N 2.98Å; I501-L503 VanDerWaalsContact C-N 3.27Å; I501-L503 PolarHBondContact O-N 3.44Å; I501-L504 WeakPolarHBondContact O-CB 3.33Å; I501-L504 PolarHBondContact O-N 3.46Å; I501-L504 VanDerWaalsContact O-N 3.16Å; I501-I505 HydrophobicContact CG2-CD1 3.87Å; I501-I505 HydrophobicContact CG2-CG1 4.42Å; I501-I505 VanDerWaalsContact O-CG1 3.3Å; I501-I505 WeakPolarHBondContact O-CG1 3.25Å; I501-I505 PolarHBondContact O-N 3.38Å
502	Q	75.9	Confident	71.9	Confident	104 Å²	104	56.6 Å²	56.6	49%	0.486	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-38.4	176.5	-173.1	60.3	26.7	0	0	111.6	T498 F499 I505 Y506	T498-Q502 WeakPolarHBondContact O-CB 3.39Å; T498-Q502 PolarHBondContact O-N 3.44Å; F499-Q502 PolarHBondContact O-N 3.45Å; Q502-I505 PolarHBondContact O-N 3.32Å; Q502-Y506 WeakPolarHBondContact O-CB 3.3Å; Q502-Y506 PolarHBondContact O-N 3.25Å
503	L	71.8	Confident	70.2	Confident	50 Å²	50	56.5 Å²	56.5	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-42.2	173.9	-176.9	69.1	0	0	0	111.5	L176 F499 I500 I501 Y506 L507	L176-L503 HydrophobicContact CD2-CD1 4.41Å; L176-L503 HydrophobicContact CD2-CD2 4.49Å; F499-L503 WeakPolarHBondContact O-CB 3.22Å; F499-L503 PolarHBondContact O-N 2.91Å; I500-L503 WeakPolarHBondContact O-CB 3.37Å; I500-L503 PolarHBondContact O-N 2.8Å; I501-L503 VanDerWaalsContact C-N 3.27Å; I501-L503 PolarHBondContact O-N 3.44Å; L503-Y506 WeakPolarHBondContact O-CB 3.47Å; L503-Y506 PolarHBondContact O-N 2.97Å; L503-L507 HydrophobicContact CG-CD1 4.39Å; L503-L507 WeakPolarHBondContact O-CB 3.42Å; L503-L507 WeakPolarHBondContact O-CG 3.39Å; L503-L507 PolarHBondContact O-N 3.08Å
504	L	68.6	Low	68.4	Low	80 Å²	80	61.7 Å²	61.7	42%	0.419	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-44.8	175.9	-178.6	67.8	0	0	0	111	M443 I500 I501 Y506 L507 I508	M443-L504 HydrophobicContact CE-CD2 4.34Å; I500-L504 WeakPolarHBondContact O-CB 3.47Å; I500-L504 PolarHBondContact O-N 3.22Å; I501-L504 WeakPolarHBondContact O-CB 3.33Å; I501-L504 PolarHBondContact O-N 3.46Å; I501-L504 VanDerWaalsContact O-N 3.16Å; L504-Y506 VanDerWaalsContact C-N 3.32Å; L504-Y506 PolarHBondContact O-N 2.65Å; L504-L507 PolarHBondContact O-N 2.89Å; L504-I508 HydrophobicContact CD1-CD1 4.25Å; L504-I508 HydrophobicContact CD1-CG1 4.48Å; L504-I508 HydrophobicContact CD2-CD1 4.48Å; L504-I508 HydrophobicContact CG-CD1 3.88Å; L504-I508 HydrophobicContact CG-CG1 4.49Å; L504-I508 WeakPolarHBondContact O-CB 3.19Å; L504-I508 VanDerWaalsContact O-CG1 3.25Å; L504-I508 WeakPolarHBondContact O-CG1 3.36Å; L504-I508 PolarHBondContact O-N 2.87Å
505	I	67.4	Low	66.6	Low	36 Å²	36	62.8 Å²	62.8	19%	0.185	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-44.8	175.1	-67.8	166.7	0	0	0	110.2	M443 Y447 I501 Q502 I508 N509	M443-I505 HydrophobicContact CB-CD1 4.21Å; M443-I505 HydrophobicContact CE-CD1 4.14Å; M443-I505 HydrophobicContact CE-CG1 3.84Å; M443-I505 HydrophobicContact CG-CD1 4.2Å; M443-I505 HydrophobicContact CG-CG1 4.1Å; Y447-I505 HydrophobicContact CE2-CD1 4.47Å; I501-I505 HydrophobicContact CG2-CD1 3.87Å; I501-I505 HydrophobicContact CG2-CG1 4.42Å; I501-I505 VanDerWaalsContact O-CG1 3.3Å; I501-I505 WeakPolarHBondContact O-CG1 3.25Å; I501-I505 PolarHBondContact O-N 3.38Å; Q502-I505 PolarHBondContact O-N 3.32Å; I505-I508 PolarHBondContact O-N 3.09Å; I505-N509 WeakPolarHBondContact O-CB 3.25Å; I505-N509 VanDerWaalsContact O-CG 3.22Å; I505-N509 PolarHBondContact O-N 2.87Å; I505-N509 PolarHBondContact O-ND2 2.86Å
506	Y	66.6	Low	65.1	Low	58 Å²	58	62.9 Å²	62.9	23%	0.227	33%	0.326	C	S	.	.	H	α-helix	trans	-59.6	-47.8	175.9	-179.8	-98.5	0	0	0	111.2	W179 Q502 L503 L504 I508 N509 Q510	W179-Y506 HydrophobicContact CH2-CE1 4.05Å; W179-Y506 WeakPolarHBondContact CH2-OH 3.29Å; W179-Y506 AromaticContact CZ3-CE1 4Å; W179-Y506 HydrophobicContact CZ3-CE1 4Å; Q502-Y506 WeakPolarHBondContact O-CB 3.3Å; Q502-Y506 PolarHBondContact O-N 3.25Å; L503-Y506 WeakPolarHBondContact O-CB 3.47Å; L503-Y506 PolarHBondContact O-N 2.97Å; L504-Y506 VanDerWaalsContact C-N 3.32Å; L504-Y506 PolarHBondContact O-N 2.65Å; Y506-I508 PolarHBondContact O-N 3.44Å; Y506-N509 PolarHBondContact O-N 3.49Å; Y506-Q510 HydrophobicContact CD1-CG 4.27Å; Y506-Q510 HydrophobicContact CE1-CG 3.88Å; Y506-Q510 HydrophobicContact CE2-CG 4.38Å; Y506-Q510 VanDerWaalsContact O-CG 3.3Å; Y506-Q510 WeakPolarHBondContact O-CG 3.42Å; Y506-Q510 PolarHBondContact O-N 2.83Å; Y506-Q510 PolarHBondContact OH-NE2 3.03Å
507	L	62.6	Low	63.2	Low	62 Å²	62	63.4 Å²	63.4	33%	0.325	34%	0.335	S	S	.	.	H	α-helix	trans	-62.5	-42.7	177.5	-72.5	174.5	0	0	0	112.4	F208 L503 L504 N509 Q510 L511	F208-L507 HydrophobicContact CZ-CD2 4.31Å; L503-L507 HydrophobicContact CG-CD1 4.39Å; L503-L507 WeakPolarHBondContact O-CB 3.42Å; L503-L507 WeakPolarHBondContact O-CG 3.39Å; L503-L507 PolarHBondContact O-N 3.08Å; L504-L507 PolarHBondContact O-N 2.89Å; L507-N509 VanDerWaalsContact C-N 3.34Å; L507-N509 PolarHBondContact O-N 3.2Å; L507-Q510 PolarHBondContact O-N 3.39Å; L507-L511 VanDerWaalsContact O-CG 3.29Å; L507-L511 WeakPolarHBondContact O-CG 3.31Å; L507-L511 PolarHBondContact O-N 3.05Å
508	I	62.8	Low	61.3	Low	54 Å²	54	70.5 Å²	70.5	28%	0.277	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-44.6	175.1	-68.9	166.1	0	0	0	110.1	L504 I505 Y506 Q510 L511 N512	L504-I508 HydrophobicContact CD1-CD1 4.25Å; L504-I508 HydrophobicContact CD1-CG1 4.48Å; L504-I508 HydrophobicContact CD2-CD1 4.48Å; L504-I508 HydrophobicContact CG-CD1 3.88Å; L504-I508 HydrophobicContact CG-CG1 4.49Å; L504-I508 WeakPolarHBondContact O-CB 3.19Å; L504-I508 VanDerWaalsContact O-CG1 3.25Å; L504-I508 WeakPolarHBondContact O-CG1 3.36Å; L504-I508 PolarHBondContact O-N 2.87Å; I505-I508 PolarHBondContact O-N 3.09Å; Y506-I508 PolarHBondContact O-N 3.44Å; I508-Q510 VanDerWaalsContact C-N 3.26Å; I508-Q510 PolarHBondContact O-N 3.26Å; I508-L511 PolarHBondContact O-N 2.93Å; I508-L511 VanDerWaalsContact O-N 3.08Å; I508-N512 PolarHBondContact O-N 3.41Å; I508-N512 PolarHBondContact O-OD1 3.14Å
509	N	59.9	Low	59.7	Low	91 Å²	91	71.8 Å²	71.8	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-29.3	178	-73.5	-16.8	0	0	0	112.9	I505 Y506 L507 P513	I505-N509 WeakPolarHBondContact O-CB 3.25Å; I505-N509 VanDerWaalsContact O-CG 3.22Å; I505-N509 PolarHBondContact O-N 2.87Å; I505-N509 PolarHBondContact O-ND2 2.86Å; Y506-N509 PolarHBondContact O-N 3.49Å; L507-N509 VanDerWaalsContact C-N 3.34Å; L507-N509 PolarHBondContact O-N 3.2Å; N509-P513 WeakPolarHBondContact O-CD 3.28Å
510	Q	62.3	Low	57.8	Low	51 Å²	51	74 Å²	74	24%	0.238	39%	0.393	C	S	.	.	H	α-helix	trans	-79	-25.6	172.5	-65	-60	-19.3	0	0	113	Y506 L507 I508 P513	Y506-Q510 HydrophobicContact CD1-CG 4.27Å; Y506-Q510 HydrophobicContact CE1-CG 3.88Å; Y506-Q510 HydrophobicContact CE2-CG 4.38Å; Y506-Q510 VanDerWaalsContact O-CG 3.3Å; Y506-Q510 WeakPolarHBondContact O-CG 3.42Å; Y506-Q510 PolarHBondContact O-N 2.83Å; Y506-Q510 PolarHBondContact OH-NE2 3.03Å; L507-Q510 PolarHBondContact O-N 3.39Å; I508-Q510 VanDerWaalsContact C-N 3.26Å; I508-Q510 PolarHBondContact O-N 3.26Å; Q510-P513 WeakPolarHBondContact O-CD 3.41Å; Q510-P513 WeakPolarHBondContact O-CG 3.49Å
511	L	52.3	Low	55.9	Low	75 Å²	75	78 Å²	78	39%	0.393	42%	0.416	S	S	.	.	H	α-helix	trans	-81.6	-30	174.3	-71	166.1	0	0	0	112.5	T322 L507 I508 I514 A515	T322-L511 HydrophobicContact CG2-CB 4.19Å; L507-L511 VanDerWaalsContact O-CG 3.29Å; L507-L511 WeakPolarHBondContact O-CG 3.31Å; L507-L511 PolarHBondContact O-N 3.05Å; I508-L511 PolarHBondContact O-N 2.93Å; I508-L511 VanDerWaalsContact O-N 3.08Å; L511-I514 HydrophobicContact CD2-CD1 4.35Å; L511-I514 WeakPolarHBondContact O-CA 3.19Å; L511-I514 WeakPolarHBondContact O-CB 3.16Å; L511-I514 PolarHBondContact O-N 3Å; L511-A515 PolarHBondContact O-N 3.06Å
512	N	54.2	Low	54.2	Low	32 Å²	32	84.2 Å²	84.2	17%	0.171	45%	0.449	C	S	.	.	H	α-helix	trans	-53	-43.8	176.7	-77.6	-16.5	0	0	0	114.2	I508 I514 A515 T516	I508-N512 PolarHBondContact O-N 3.41Å; I508-N512 PolarHBondContact O-OD1 3.14Å; N512-I514 VanDerWaalsContact C-N 3.32Å; N512-I514 PolarHBondContact O-N 2.9Å; N512-A515 PolarHBondContact O-N 3.43Å; N512-T516 WeakPolarHBondContact O-CB 3.23Å; N512-T516 VanDerWaalsContact O-CG2 3.32Å; N512-T516 WeakPolarHBondContact O-CG2 3.36Å; N512-T516 PolarHBondContact O-N 3.18Å; N512-T516 VanDerWaalsContact O-N 3.11Å; N512-T516 PolarHBondContact O-OG1 3.03Å
513	P	49.7	Very low	52.6	Low	58 Å²	58	87.5 Å²	87.5	38%	0.377	46%	0.464	S	S	.	.	H	α-helix	trans	-61.3	-41	173.6	21.5	-31.5	0	0	0	111.2	N509 Q510 A515 T516 I517	N509-P513 WeakPolarHBondContact O-CD 3.28Å; Q510-P513 WeakPolarHBondContact O-CD 3.41Å; Q510-P513 WeakPolarHBondContact O-CG 3.49Å; P513-A515 VanDerWaalsContact C-N 3.27Å; P513-A515 PolarHBondContact O-N 3.42Å; P513-T516 VanDerWaalsContact CA-OG1 3.28Å; P513-T516 WeakPolarHBondContact CA-OG1 3.49Å; P513-T516 CarbonylContact O-C 3.39Å; P513-T516 PolarHBondContact O-N 2.78Å; P513-T516 PolarHBondContact O-OG1 3.01Å; P513-T516 VanDerWaalsContact O-OG1 3.13Å; P513-I517 WeakPolarHBondContact O-CG1 3.35Å; P513-I517 PolarHBondContact O-N 3.39Å
514	I	48	Very low	51	Low	122 Å²	122	91.1 Å²	91.1	63%	0.626	48%	0.484	S	S	*	.	H	α-helix	trans	-62	-35.4	179.2	-56.6	176.4	0	0	0	111.5	L511 N512 T516	L511-I514 HydrophobicContact CD2-CD1 4.35Å; L511-I514 WeakPolarHBondContact O-CA 3.19Å; L511-I514 WeakPolarHBondContact O-CB 3.16Å; L511-I514 PolarHBondContact O-N 3Å; N512-I514 VanDerWaalsContact C-N 3.32Å; N512-I514 PolarHBondContact O-N 2.9Å; I514-T516 VanDerWaalsContact C-N 3.34Å
515	A	47.2	Very low	50	Low	53 Å²	53	96.4 Å²	96.4	44%	0.438	51%	0.506	S	S	.	.	H	α-helix	trans	-77.7	-14.6	174.4	0	0	0	0	0	114	L511 N512 P513	L511-A515 PolarHBondContact O-N 3.06Å; N512-A515 PolarHBondContact O-N 3.43Å; P513-A515 VanDerWaalsContact C-N 3.27Å; P513-A515 PolarHBondContact O-N 3.42Å
516	T	45.6	Very low	49.2	Very low	66 Å²	66	97.8 Å²	97.8	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-112.7	1.7	-174.8	54.1	0	0	0	0	114.7	N512 P513 I514 H518 S519	N512-T516 WeakPolarHBondContact O-CB 3.23Å; N512-T516 VanDerWaalsContact O-CG2 3.32Å; N512-T516 WeakPolarHBondContact O-CG2 3.36Å; N512-T516 PolarHBondContact O-N 3.18Å; N512-T516 VanDerWaalsContact O-N 3.11Å; N512-T516 PolarHBondContact O-OG1 3.03Å; P513-T516 VanDerWaalsContact CA-OG1 3.28Å; P513-T516 WeakPolarHBondContact CA-OG1 3.49Å; P513-T516 CarbonylContact O-C 3.39Å; P513-T516 PolarHBondContact O-N 2.78Å; P513-T516 PolarHBondContact O-OG1 3.01Å; P513-T516 VanDerWaalsContact O-OG1 3.13Å; I514-T516 VanDerWaalsContact C-N 3.34Å; T516-H518 PolarHBondContact O-N 2.93Å; T516-S519 PolarHBondContact O-N 3.27Å; T516-S519 VanDerWaalsContact O-N 3.11Å; T516-S519 PolarHBondContact O-OG 3.28Å; T516-S519 VanDerWaalsContact O-OG 3.11Å
517	I	44.5	Very low	48.3	Very low	135 Å²	135	101.4 Å²	101.4	69%	0.692	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	45.7	174.4	-37.2	-168.5	0	0	0	112.6	P513	P513-I517 WeakPolarHBondContact O-CG1 3.35Å; P513-I517 PolarHBondContact O-N 3.39Å
518	H	42.1	Very low	47.7	Very low	155 Å²	155	104.1 Å²	104.1	72%	0.718	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.4	25.4	153.6	-150.7	69.5	0	0	0	112.8	T516 I520	T516-H518 PolarHBondContact O-N 2.93Å; H518-I520 PolarHBondContact O-N 2.87Å
519	S	42	Very low	47.2	Very low	80 Å²	80	108.9 Å²	108.9	56%	0.559	57%	0.567	S	S	*	*			trans	-98.6	57.5	171.5	62.8	0	0	0	0	111.7	T516	T516-S519 PolarHBondContact O-N 3.27Å; T516-S519 VanDerWaalsContact O-N 3.11Å; T516-S519 PolarHBondContact O-OG 3.28Å; T516-S519 VanDerWaalsContact O-OG 3.11Å
520	I	39.1	Very low	46.8	Very low	142 Å²	142	108 Å²	108	73%	0.728	56%	0.558	S	S	*	*			trans	-98.7	115.9	165	-63.7	173.8	0	0	0	106.6	H518	H518-I520 PolarHBondContact O-N 2.87Å
521	N	37.2	Very low	46.2	Very low	130 Å²	130	112.3 Å²	112.3	70%	0.695	57%	0.573	S	S	*	*	S	Bend	trans	73.2	83.3	171.4	-54.7	-17.9	0	0	0	116.4
522	N	37.9	Very low	46.4	Very low	135 Å²	135	112.9 Å²	112.9	72%	0.722	58%	0.575	S	S	*	*				169.5	130.6	109.3	-86.2	-26.7	0	0	0	110.6
523	H	41.9	Very low	46.6	Very low	172 Å²	172	114.5 Å²	114.5	80%	0.796	58%	0.583	S	S	*	*			trans	-53.4	137.5	171.4	-93.2	-76.9	0	0	0	111.5
524	N	40	Very low	46.9	Very low	127 Å²	127	115.6 Å²	115.6	68%	0.679	59%	0.586	S	S	*	*	S	Bend	trans	80.4	124.3	158.5	-52	-20.4	0	0	0	116.2
525	H	46.8	Very low	47.4	Very low	191 Å²	191	112.5 Å²	112.5	88%	0.884	57%	0.569	S	S	*	*	S	Bend	trans	86.2	-4.7	173.2	-74	-74.1	0	0	0	122.2
526	N	50.9	Low	48.1	Very low	64 Å²	64	114.3 Å²	114.3	34%	0.342	57%	0.571	S	S	.	*			trans	-94.5	1.6	-163.6	-73.5	-20.5	0	0	0	119.7	N528 Y529 Y530	N526-N528 PolarHBondContact O-N 3.43Å; N526-Y529 WeakPolarHBondContact O-CB 3.36Å; N526-Y529 PolarHBondContact O-N 3.34Å; N526-Y530 HydrophobicContact CB-CD2 4.4Å; N526-Y530 HydrophobicContact CB-CE2 3.82Å; N526-Y530 WeakPolarHBondContact O-CD2 3.5Å; N526-Y530 PolarHBondContact O-N 2.8Å
527	N	47.2	Very low	48.8	Very low	134 Å²	134	114.2 Å²	114.2	72%	0.717	57%	0.57	S	S	*	*	H	α-helix	trans	-70.9	-27.9	-173.9	-73.9	-0.8	0	0	0	115.1	Y529	N527-Y529 VanDerWaalsContact C-N 3.32Å
528	N	49.2	Very low	49.6	Very low	120 Å²	120	109.6 Å²	109.6	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-74.6	-25.9	170.8	-76.9	-2.8	0	0	0	111.9	N526 Y531 I532	N526-N528 PolarHBondContact O-N 3.43Å; N528-Y531 PolarHBondContact O-N 3.46Å; N528-I532 VanDerWaalsContact O-CG1 3.31Å; N528-I532 WeakPolarHBondContact O-CG1 3.42Å; N528-I532 PolarHBondContact O-N 2.87Å; N528-I532 VanDerWaalsContact O-N 3.13Å
529	Y	52.5	Low	50.7	Low	153 Å²	153	106.9 Å²	106.9	60%	0.6	54%	0.536	S	S	*	.	H	α-helix	trans	-70	-39.2	-179.2	-152	-95.3	0	0	0	111.2	N526 N527 Y531 I532 I533	N526-Y529 WeakPolarHBondContact O-CB 3.36Å; N526-Y529 PolarHBondContact O-N 3.34Å; N527-Y529 VanDerWaalsContact C-N 3.32Å; Y529-Y531 PolarHBondContact O-N 3.4Å; Y529-I532 PolarHBondContact O-N 3.07Å; Y529-I533 HydrophobicContact CD1-CD1 3.47Å; Y529-I533 VanDerWaalsContact CD1-CD1 3.47Å; Y529-I533 HydrophobicContact CD1-CG1 4Å; Y529-I533 HydrophobicContact CE1-CD1 3.69Å; Y529-I533 HydrophobicContact CE1-CG1 4.09Å; Y529-I533 WeakPolarHBondContact O-CG1 3.42Å; Y529-I533 PolarHBondContact O-N 3.14Å
530	Y	51.3	Low	51.8	Low	73 Å²	73	106.7 Å²	106.7	29%	0.286	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-36	174.9	-65.8	-71.8	0	0	0	113.3	N526 I533 N534	N526-Y530 HydrophobicContact CB-CD2 4.4Å; N526-Y530 HydrophobicContact CB-CE2 3.82Å; N526-Y530 WeakPolarHBondContact O-CD2 3.5Å; N526-Y530 PolarHBondContact O-N 2.8Å; Y530-I533 PolarHBondContact O-N 3.39Å; Y530-N534 WeakPolarHBondContact O-CB 3.4Å; Y530-N534 PolarHBondContact O-N 3.2Å
531	Y	50.8	Low	52.9	Low	141 Å²	141	104.1 Å²	104.1	55%	0.553	52%	0.521	S	S	*	.	H	α-helix	trans	-61.5	-46	171.8	176.9	-95.7	0	0	0	110.9	N528 Y529 N534 M535	N528-Y531 PolarHBondContact O-N 3.46Å; Y529-Y531 PolarHBondContact O-N 3.4Å; Y531-N534 PolarHBondContact O-N 3.38Å; Y531-M535 HydrophobicContact CD1-CG 4.15Å; Y531-M535 HydrophobicContact CE1-CG 3.78Å; Y531-M535 HydrophobicContact CE2-CG 4.27Å; Y531-M535 HydrophobicContact CE2-SD 4.49Å; Y531-M535 WeakPolarHBondContact O-CB 3.44Å; Y531-M535 VanDerWaalsContact O-CG 3.22Å; Y531-M535 WeakPolarHBondContact O-CG 3.47Å; Y531-M535 PolarHBondContact O-N 2.86Å
532	I	56.3	Low	54.2	Low	87 Å²	87	100.4 Å²	100.4	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-42.5	178.8	-66	166.8	0	0	0	111	N528 Y529 M535 I536	N528-I532 VanDerWaalsContact O-CG1 3.31Å; N528-I532 WeakPolarHBondContact O-CG1 3.42Å; N528-I532 PolarHBondContact O-N 2.87Å; N528-I532 VanDerWaalsContact O-N 3.13Å; Y529-I532 PolarHBondContact O-N 3.07Å; I532-M535 PolarHBondContact O-N 3.35Å; I532-I536 HydrophobicContact CG2-CD1 3.67Å; I532-I536 HydrophobicContact CG2-CG1 4.3Å; I532-I536 WeakPolarHBondContact O-CB 3.41Å; I532-I536 WeakPolarHBondContact O-CG1 3.45Å; I532-I536 PolarHBondContact O-N 3.29Å
533	I	58.2	Low	55.5	Low	66 Å²	66	98.8 Å²	98.8	34%	0.338	49%	0.491	S	S	.	.	H	α-helix	trans	-60.4	-48.5	175.6	-70.2	168.3	0	0	0	110.6	Y529 Y530 M535 I536 T537	Y529-I533 HydrophobicContact CD1-CD1 3.47Å; Y529-I533 VanDerWaalsContact CD1-CD1 3.47Å; Y529-I533 HydrophobicContact CD1-CG1 4Å; Y529-I533 HydrophobicContact CE1-CD1 3.69Å; Y529-I533 HydrophobicContact CE1-CG1 4.09Å; Y529-I533 WeakPolarHBondContact O-CG1 3.42Å; Y529-I533 PolarHBondContact O-N 3.14Å; Y530-I533 PolarHBondContact O-N 3.39Å; I533-M535 VanDerWaalsContact C-N 3.33Å; I533-M535 PolarHBondContact O-N 2.95Å; I533-I536 PolarHBondContact O-N 3.28Å; I533-I536 VanDerWaalsContact O-N 3.15Å; I533-T537 HydrophobicContact CG2-CG2 4.27Å; I533-T537 WeakPolarHBondContact O-CG2 3.36Å; I533-T537 PolarHBondContact O-N 2.94Å; I533-T537 PolarHBondContact O-OG1 3.4Å
534	N	55.4	Low	56.6	Low	82 Å²	82	93.5 Å²	93.5	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-60.5	-44.3	178.3	-77.9	-11.2	0	0	0	110.9	Y530 Y531 I536 T537 I538	Y530-N534 WeakPolarHBondContact O-CB 3.4Å; Y530-N534 PolarHBondContact O-N 3.2Å; Y531-N534 PolarHBondContact O-N 3.38Å; N534-I536 VanDerWaalsContact C-N 3.34Å; N534-I536 PolarHBondContact O-N 2.88Å; N534-T537 WeakPolarHBondContact CA-OG1 3.39Å; N534-T537 PolarHBondContact O-N 3.48Å; N534-T537 PolarHBondContact O-OG1 2.93Å; N534-I538 WeakPolarHBondContact O-CB 3.28Å; N534-I538 VanDerWaalsContact O-CD1 3.29Å; N534-I538 WeakPolarHBondContact O-CD1 3.27Å; N534-I538 WeakPolarHBondContact O-CG1 3.19Å; N534-I538 PolarHBondContact O-N 2.89Å
535	M	58.9	Low	57.7	Low	56 Å²	56	88.7 Å²	88.7	28%	0.276	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-40.4	174.5	-70	-62.8	-70.2	0	0	112.8	F320 Y531 I532 I533 I538 I539	F320-M535 HydrophobicContact CE1-SD 4.11Å; F320-M535 HydrophobicContact CZ-CE 4.23Å; F320-M535 HydrophobicContact CZ-SD 3.65Å; Y531-M535 HydrophobicContact CD1-CG 4.15Å; Y531-M535 HydrophobicContact CE1-CG 3.78Å; Y531-M535 HydrophobicContact CE2-CG 4.27Å; Y531-M535 HydrophobicContact CE2-SD 4.49Å; Y531-M535 WeakPolarHBondContact O-CB 3.44Å; Y531-M535 VanDerWaalsContact O-CG 3.22Å; Y531-M535 WeakPolarHBondContact O-CG 3.47Å; Y531-M535 PolarHBondContact O-N 2.86Å; I532-M535 PolarHBondContact O-N 3.35Å; I533-M535 VanDerWaalsContact C-N 3.33Å; I533-M535 PolarHBondContact O-N 2.95Å; M535-I538 WeakPolarHBondContact O-CB 3.43Å; M535-I538 PolarHBondContact O-N 3.13Å; M535-I538 HydrophobicContact SD-CD1 4.39Å; M535-I539 WeakPolarHBondContact O-CD1 3.48Å; M535-I539 VanDerWaalsContact O-CG1 3.26Å; M535-I539 WeakPolarHBondContact O-CG1 3.48Å; M535-I539 PolarHBondContact O-N 3.47Å
536	I	62.2	Low	58.6	Low	91 Å²	91	80 Å²	80	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-46.4	175.7	-69.4	165.9	0	0	0	110.6	I532 I533 N534 I538 I539 C540	I532-I536 HydrophobicContact CG2-CD1 3.67Å; I532-I536 HydrophobicContact CG2-CG1 4.3Å; I532-I536 WeakPolarHBondContact O-CB 3.41Å; I532-I536 WeakPolarHBondContact O-CG1 3.45Å; I532-I536 PolarHBondContact O-N 3.29Å; I533-I536 PolarHBondContact O-N 3.28Å; I533-I536 VanDerWaalsContact O-N 3.15Å; N534-I536 VanDerWaalsContact C-N 3.34Å; N534-I536 PolarHBondContact O-N 2.88Å; I536-I538 VanDerWaalsContact C-N 3.27Å; I536-I538 PolarHBondContact O-N 2.9Å; I536-I539 PolarHBondContact O-N 3.35Å; I536-I539 VanDerWaalsContact O-N 3.15Å; I536-C540 PolarHBondContact O-N 2.81Å; I536-C540 PolarHBondContact O-SG 2.99Å
537	T	60	Low	59.4	Low	65 Å²	65	84.3 Å²	84.3	40%	0.399	42%	0.421	S	S	.	.	H	α-helix	trans	-60.7	-38.4	178.8	61	0	0	0	0	112	I533 N534 C540 L541	I533-T537 HydrophobicContact CG2-CG2 4.27Å; I533-T537 WeakPolarHBondContact O-CG2 3.36Å; I533-T537 PolarHBondContact O-N 2.94Å; I533-T537 PolarHBondContact O-OG1 3.4Å; N534-T537 WeakPolarHBondContact CA-OG1 3.39Å; N534-T537 PolarHBondContact O-N 3.48Å; N534-T537 PolarHBondContact O-OG1 2.93Å; T537-C540 PolarHBondContact O-N 3.43Å; T537-L541 WeakPolarHBondContact O-CG 3.33Å; T537-L541 PolarHBondContact O-N 3.08Å
538	I	62.4	Low	60.3	Low	37 Å²	37	81.3 Å²	81.3	19%	0.19	40%	0.404	C	S	.	.	H	α-helix	trans	-61.2	-49.2	174.2	-72.9	162.1	0	0	0	111	L316 F320 N534 M535 I536 C540 L541 L542	L316-I538 HydrophobicContact CD1-CB 3.94Å; L316-I538 HydrophobicContact CD1-CD1 3.35Å; L316-I538 HydrophobicContact CD1-CG1 3.41Å; L316-I538 VanDerWaalsContact CD1-CG1 3.41Å; L316-I538 HydrophobicContact CD1-CG2 3.28Å; F320-I538 HydrophobicContact CE2-CD1 4.48Å; N534-I538 WeakPolarHBondContact O-CB 3.28Å; N534-I538 VanDerWaalsContact O-CD1 3.29Å; N534-I538 WeakPolarHBondContact O-CD1 3.27Å; N534-I538 WeakPolarHBondContact O-CG1 3.19Å; N534-I538 PolarHBondContact O-N 2.89Å; M535-I538 WeakPolarHBondContact O-CB 3.43Å; M535-I538 PolarHBondContact O-N 3.13Å; M535-I538 HydrophobicContact SD-CD1 4.39Å; I536-I538 VanDerWaalsContact C-N 3.27Å; I536-I538 PolarHBondContact O-N 2.9Å; I538-C540 VanDerWaalsContact C-N 3.31Å; I538-C540 PolarHBondContact O-N 3.48Å; I538-L541 PolarHBondContact O-N 3.29Å; I538-L542 WeakPolarHBondContact O-CB 3.24Å; I538-L542 PolarHBondContact O-N 3.34Å
539	I	63.9	Low	61	Low	99 Å²	99	77 Å²	77	51%	0.508	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-41.8	178.4	-68	164	0	0	0	110	M535 I536 L542 M543	M535-I539 WeakPolarHBondContact O-CD1 3.48Å; M535-I539 VanDerWaalsContact O-CG1 3.26Å; M535-I539 WeakPolarHBondContact O-CG1 3.48Å; M535-I539 PolarHBondContact O-N 3.47Å; I536-I539 PolarHBondContact O-N 3.35Å; I536-I539 VanDerWaalsContact O-N 3.15Å; I539-L542 PolarHBondContact O-N 3.02Å; I539-M543 HydrophobicContact CG2-CG 4.37Å; I539-M543 VanDerWaalsContact O-CG 3.3Å; I539-M543 WeakPolarHBondContact O-CG 3.5Å; I539-M543 PolarHBondContact O-N 2.91Å
540	C	65.7	Low	61.5	Low	75 Å²	75	69.8 Å²	69.8	51%	0.507	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-42.9	176.6	-70.3	0	0	0	0	112.7	I536 T537 I538 L542 M543 S544	I536-C540 PolarHBondContact O-N 2.81Å; I536-C540 PolarHBondContact O-SG 2.99Å; T537-C540 PolarHBondContact O-N 3.43Å; I538-C540 VanDerWaalsContact C-N 3.31Å; I538-C540 PolarHBondContact O-N 3.48Å; C540-L542 VanDerWaalsContact C-N 3.33Å; C540-L542 PolarHBondContact O-N 3.4Å; C540-M543 PolarHBondContact O-N 2.63Å; C540-S544 WeakPolarHBondContact O-CB 3.42Å; C540-S544 PolarHBondContact O-N 3.2Å
541	L	62.6	Low	62.2	Low	89 Å²	89	68 Å²	68	47%	0.466	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-39	176.3	-72.3	172.8	0	0	0	111.7	T537 I538 S544 T545	T537-L541 WeakPolarHBondContact O-CG 3.33Å; T537-L541 PolarHBondContact O-N 3.08Å; I538-L541 PolarHBondContact O-N 3.29Å; L541-S544 WeakPolarHBondContact O-CB 3.49Å; L541-S544 PolarHBondContact O-N 2.91Å; L541-T545 WeakPolarHBondContact O-CG2 3.42Å; L541-T545 PolarHBondContact O-N 2.97Å; L541-T545 PolarHBondContact O-OG1 3.49Å
542	L	64.1	Low	62.8	Low	52 Å²	52	64.1 Å²	64.1	27%	0.272	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-39.6	175.5	-172.2	138	0	0	0	112.2	I538 I539 C540 S544 T545 I546 I590	I538-L542 WeakPolarHBondContact O-CB 3.24Å; I538-L542 PolarHBondContact O-N 3.34Å; I539-L542 PolarHBondContact O-N 3.02Å; C540-L542 VanDerWaalsContact C-N 3.33Å; C540-L542 PolarHBondContact O-N 3.4Å; L542-S544 VanDerWaalsContact C-N 3.33Å; L542-T545 PolarHBondContact O-N 3.34Å; L542-T545 PolarHBondContact O-OG1 3.43Å; L542-I546 HydrophobicContact CD2-CD1 3.7Å; L542-I546 HydrophobicContact CG-CD1 4.45Å; L542-I546 VanDerWaalsContact O-CG1 3.27Å; L542-I546 WeakPolarHBondContact O-CG1 3.39Å; L542-I546 PolarHBondContact O-N 2.88Å; L542-I546 VanDerWaalsContact O-N 3.13Å; L542-I590 HydrophobicContact CD1-CD1 3.22Å; L542-I590 HydrophobicContact CG-CD1 4.46Å
543	M	65.5	Low	63	Low	101 Å²	101	60.7 Å²	60.7	50%	0.498	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-35.3	173.8	-69.9	-58.8	-67.3	0	0	112	I539 C540 I546 Y547	I539-M543 HydrophobicContact CG2-CG 4.37Å; I539-M543 VanDerWaalsContact O-CG 3.3Å; I539-M543 WeakPolarHBondContact O-CG 3.5Å; I539-M543 PolarHBondContact O-N 2.91Å; C540-M543 PolarHBondContact O-N 2.63Å; M543-I546 PolarHBondContact O-N 3.41Å; M543-Y547 WeakPolarHBondContact O-CB 3.39Å; M543-Y547 PolarHBondContact O-N 2.63Å
544	S	65.2	Low	63.2	Low	60 Å²	60	59.7 Å²	59.7	42%	0.42	32%	0.316	S	S	.	.	H	α-helix	trans	-65.1	-42.7	175.3	179.1	0	0	0	0	112.3	C540 L541 L542 Y547 I548	C540-S544 WeakPolarHBondContact O-CB 3.42Å; C540-S544 PolarHBondContact O-N 3.2Å; L541-S544 WeakPolarHBondContact O-CB 3.49Å; L541-S544 PolarHBondContact O-N 2.91Å; L542-S544 VanDerWaalsContact C-N 3.33Å; S544-Y547 PolarHBondContact O-N 3.3Å; S544-I548 WeakPolarHBondContact O-CG1 3.5Å; S544-I548 PolarHBondContact O-N 2.87Å
545	T	63.4	Low	63.4	Low	26 Å²	26	64 Å²	64	16%	0.16	33%	0.327	C	S	.	.	H	α-helix	trans	-67.2	-38.7	177.2	54.6	0	0	0	0	112.2	Q312 L541 L542 Y547 I548 M549	Q312-T545 VanDerWaalsContact OE1-CG2 3.22Å; L541-T545 WeakPolarHBondContact O-CG2 3.42Å; L541-T545 PolarHBondContact O-N 2.97Å; L541-T545 PolarHBondContact O-OG1 3.49Å; L542-T545 PolarHBondContact O-N 3.34Å; L542-T545 PolarHBondContact O-OG1 3.43Å; T545-Y547 VanDerWaalsContact C-N 3.34Å; T545-I548 PolarHBondContact O-N 2.96Å; T545-M549 WeakPolarHBondContact O-CB 3.38Å; T545-M549 WeakPolarHBondContact O-CG 3.46Å; T545-M549 PolarHBondContact O-N 3.42Å
546	I	65.3	Low	63.4	Low	9 Å²	9	66.1 Å²	66.1	5%	0.046	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-42.3	173.5	-66.9	173.5	0	0	0	110.6	L542 M543 M549 A550 L582 F583	L542-I546 HydrophobicContact CD2-CD1 3.7Å; L542-I546 HydrophobicContact CG-CD1 4.45Å; L542-I546 VanDerWaalsContact O-CG1 3.27Å; L542-I546 WeakPolarHBondContact O-CG1 3.39Å; L542-I546 PolarHBondContact O-N 2.88Å; L542-I546 VanDerWaalsContact O-N 3.13Å; M543-I546 PolarHBondContact O-N 3.41Å; I546-M549 PolarHBondContact O-N 3.01Å; I546-A550 WeakPolarHBondContact O-CB 3.25Å; I546-A550 PolarHBondContact O-N 3.5Å; I546-L582 HydrophobicContact CG2-CD2 4.34Å; I546-F583 HydrophobicContact CD1-CD2 3.6Å; I546-F583 HydrophobicContact CD1-CE2 4.29Å; I546-F583 HydrophobicContact CD1-CG 4.48Å
547	Y	66.7	Low	63.1	Low	155 Å²	155	67.7 Å²	67.7	61%	0.608	34%	0.337	S	S	*	.	H	α-helix	trans	-61.4	-48.1	176.2	-178.7	-97.8	0	0	0	111.7	M543 S544 T545 M549 A550 T551	M543-Y547 WeakPolarHBondContact O-CB 3.39Å; M543-Y547 PolarHBondContact O-N 2.63Å; S544-Y547 PolarHBondContact O-N 3.3Å; T545-Y547 VanDerWaalsContact C-N 3.34Å; Y547-M549 VanDerWaalsContact C-N 3.34Å; Y547-M549 PolarHBondContact O-N 2.69Å; Y547-A550 PolarHBondContact O-N 2.93Å; Y547-T551 HydrophobicContact CD1-CG2 4.1Å; Y547-T551 HydrophobicContact CE1-CG2 3.7Å; Y547-T551 HydrophobicContact CE2-CG2 4.23Å; Y547-T551 WeakPolarHBondContact O-CG2 3.33Å; Y547-T551 PolarHBondContact O-N 3.01Å; Y547-T551 PolarHBondContact O-OG1 2.85Å
548	I	65.6	Low	62.9	Low	71 Å²	71	71.2 Å²	71.2	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-58.9	-46.7	177.5	-68.8	166.7	0	0	0	110.4	L305 S544 T545 A550 T551 I552	L305-I548 HydrophobicContact CD1-CG2 4.45Å; S544-I548 WeakPolarHBondContact O-CG1 3.5Å; S544-I548 PolarHBondContact O-N 2.87Å; T545-I548 PolarHBondContact O-N 2.96Å; I548-A550 PolarHBondContact O-N 3.3Å; I548-T551 WeakPolarHBondContact CA-OG1 3.08Å; I548-T551 PolarHBondContact O-N 3.23Å; I548-T551 PolarHBondContact O-OG1 3.42Å; I548-I552 HydrophobicContact CG2-CD1 3.82Å; I548-I552 HydrophobicContact CG2-CG1 4.45Å; I548-I552 WeakPolarHBondContact O-CG1 3.35Å; I548-I552 PolarHBondContact O-N 3.46Å
549	M	64	Low	62.7	Low	28 Å²	28	77.6 Å²	77.6	14%	0.138	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-41.8	177.5	-80.7	-65.2	-95.4	0	0	113.3	F299 L305 T545 I546 Y547 I552 S553 L582	F299-M549 HydrophobicContact CD1-CE 4.01Å; F299-M549 HydrophobicContact CE1-CE 3.56Å; F299-M549 HydrophobicContact CE1-SD 4.05Å; F299-M549 HydrophobicContact CZ-CE 4.3Å; F299-M549 HydrophobicContact CZ-SD 4.48Å; L305-M549 HydrophobicContact CD2-CE 4.02Å; L305-M549 HydrophobicContact CD2-CG 3.73Å; L305-M549 HydrophobicContact CD2-SD 2.99Å; L305-M549 WeakPolarHBondContact CD2-SD 3.2Å; L305-M549 HydrophobicContact CG-SD 4.47Å; T545-M549 WeakPolarHBondContact O-CB 3.38Å; T545-M549 WeakPolarHBondContact O-CG 3.46Å; T545-M549 PolarHBondContact O-N 3.42Å; I546-M549 PolarHBondContact O-N 3.01Å; Y547-M549 VanDerWaalsContact C-N 3.34Å; Y547-M549 PolarHBondContact O-N 2.69Å; M549-I552 PolarHBondContact O-N 3Å; M549-S553 WeakPolarHBondContact O-CB 3.37Å; M549-S553 PolarHBondContact O-N 3.44Å; M549-S553 PolarHBondContact O-OG 3.2Å; M549-L582 HydrophobicContact CB-CD2 3.76Å
550	A	63.9	Low	62.2	Low	3 Å²	3	81.5 Å²	81.5	3%	0.025	39%	0.386	C	S	.	.	H	α-helix	trans	-61.9	-43.8	173.9	0	0	0	0	0	110.9	I546 Y547 I548 S553 I554 I579	I546-A550 WeakPolarHBondContact O-CB 3.25Å; I546-A550 PolarHBondContact O-N 3.5Å; Y547-A550 PolarHBondContact O-N 2.93Å; I548-A550 PolarHBondContact O-N 3.3Å; A550-S553 PolarHBondContact O-N 3.43Å; A550-S553 PolarHBondContact O-OG 3.45Å; A550-I554 VanDerWaalsContact O-CG1 3.27Å; A550-I554 WeakPolarHBondContact O-CG1 3.41Å; A550-I554 PolarHBondContact O-N 2.96Å; A550-I579 HydrophobicContact CB-CG1 4.2Å
551	T	65.5	Low	61.6	Low	36 Å²	36	84.2 Å²	84.2	22%	0.221	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-43.2	178.2	60.3	0	0	0	0	112.7	Y547 I548 S553 I554 Y555	Y547-T551 HydrophobicContact CD1-CG2 4.1Å; Y547-T551 HydrophobicContact CE1-CG2 3.7Å; Y547-T551 HydrophobicContact CE2-CG2 4.23Å; Y547-T551 WeakPolarHBondContact O-CG2 3.33Å; Y547-T551 PolarHBondContact O-N 3.01Å; Y547-T551 PolarHBondContact O-OG1 2.85Å; I548-T551 WeakPolarHBondContact CA-OG1 3.08Å; I548-T551 PolarHBondContact O-N 3.23Å; I548-T551 PolarHBondContact O-OG1 3.42Å; T551-S553 VanDerWaalsContact C-N 3.3Å; T551-S553 PolarHBondContact O-N 3.02Å; T551-I554 WeakPolarHBondContact O-CB 3.47Å; T551-I554 PolarHBondContact O-N 3.32Å; T551-Y555 WeakPolarHBondContact O-CD2 3.3Å; T551-Y555 PolarHBondContact O-N 3.48Å
552	I	63.9	Low	61.2	Low	58 Å²	58	84 Å²	84	30%	0.297	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-42.1	176.6	-66.5	168	0	0	0	110.3	F299 I548 M549 I554 Y555 Q556	F299-I552 HydrophobicContact CZ-CG2 4.33Å; I548-I552 HydrophobicContact CG2-CD1 3.82Å; I548-I552 HydrophobicContact CG2-CG1 4.45Å; I548-I552 WeakPolarHBondContact O-CG1 3.35Å; I548-I552 PolarHBondContact O-N 3.46Å; M549-I552 PolarHBondContact O-N 3Å; I552-I554 VanDerWaalsContact C-N 3.34Å; I552-I554 PolarHBondContact O-N 3.1Å; I552-Y555 PolarHBondContact O-N 2.87Å; I552-Q556 WeakPolarHBondContact O-CG 3.07Å; I552-Q556 PolarHBondContact O-N 2.89Å
553	S	61.1	Low	60.7	Low	15 Å²	15	89.3 Å²	89.3	11%	0.105	41%	0.413	C	S	.	.	H	α-helix	trans	-64.3	-35.9	176.8	74.5	0	0	0	0	113.1	M549 A550 T551 Q556 Y557 F578	M549-S553 WeakPolarHBondContact O-CB 3.37Å; M549-S553 PolarHBondContact O-N 3.44Å; M549-S553 PolarHBondContact O-OG 3.2Å; A550-S553 PolarHBondContact O-N 3.43Å; A550-S553 PolarHBondContact O-OG 3.45Å; T551-S553 VanDerWaalsContact C-N 3.3Å; T551-S553 PolarHBondContact O-N 3.02Å; S553-Q556 PolarHBondContact O-N 3.21Å; S553-Y557 WeakPolarHBondContact O-CB 3.45Å; S553-Y557 PolarHBondContact O-N 2.77Å; S553-F578 WeakPolarHBondContact OG-CE1 3.36Å
554	I	61.6	Low	60.1	Low	45 Å²	45	94.7 Å²	94.7	23%	0.231	43%	0.43	C	S	.	.	H	α-helix	trans	-65.7	-44.4	173.7	-66.2	160.8	0	0	0	110.4	A550 T551 I552 Q556 Y557 K558 Y575	A550-I554 VanDerWaalsContact O-CG1 3.27Å; A550-I554 WeakPolarHBondContact O-CG1 3.41Å; A550-I554 PolarHBondContact O-N 2.96Å; T551-I554 WeakPolarHBondContact O-CB 3.47Å; T551-I554 PolarHBondContact O-N 3.32Å; I552-I554 VanDerWaalsContact C-N 3.34Å; I552-I554 PolarHBondContact O-N 3.1Å; I554-Q556 VanDerWaalsContact C-N 3.35Å; I554-Q556 PolarHBondContact O-N 3.49Å; I554-Y557 PolarHBondContact O-N 3.32Å; I554-K558 WeakPolarHBondContact O-CB 3.48Å; I554-K558 PolarHBondContact O-N 2.93Å; I554-Y575 HydrophobicContact CD1-CD2 4.23Å; I554-Y575 HydrophobicContact CD1-CE2 3.28Å; I554-Y575 HydrophobicContact CG1-CD2 4.17Å; I554-Y575 HydrophobicContact CG1-CE2 3.62Å
555	Y	60.3	Low	59.3	Low	174 Å²	174	100.5 Å²	100.5	68%	0.682	44%	0.444	S	S	*	.	H	α-helix	trans	-60.5	-44.2	177.4	-92.6	-77.5	0	0	0	111.6	T551 I552 K558 Q559	T551-Y555 WeakPolarHBondContact O-CD2 3.3Å; T551-Y555 PolarHBondContact O-N 3.48Å; I552-Y555 PolarHBondContact O-N 2.87Å; Y555-K558 PolarHBondContact O-N 2.72Å; Y555-Q559 PolarHBondContact O-N 3.46Å; Y555-Q559 VanDerWaalsContact O-N 3.16Å
556	Q	57.7	Low	58.6	Low	99 Å²	99	107.5 Å²	107.5	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176.8	-72.1	-179.5	-23.4	0	0	112.6	I552 S553 I554 Q559 Y560	I552-Q556 WeakPolarHBondContact O-CG 3.07Å; I552-Q556 PolarHBondContact O-N 2.89Å; S553-Q556 PolarHBondContact O-N 3.21Å; I554-Q556 VanDerWaalsContact C-N 3.35Å; I554-Q556 PolarHBondContact O-N 3.49Å; Q556-Q559 PolarHBondContact O-N 3.46Å; Q556-Y560 PolarHBondContact O-N 3.01Å; Q556-Y560 VanDerWaalsContact O-N 3.16Å
557	Y	57	Low	58	Low	124 Å²	124	116.1 Å²	116.1	49%	0.486	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-41.4	176.7	-172.7	-95	0	0	0	111.9	S553 I554 Q559 Y560 Y561 Y571	S553-Y557 WeakPolarHBondContact O-CB 3.45Å; S553-Y557 PolarHBondContact O-N 2.77Å; I554-Y557 PolarHBondContact O-N 3.32Å; Y557-Q559 PolarHBondContact O-N 3.11Å; Y557-Y560 PolarHBondContact O-N 2.92Å; Y557-Y561 HydrophobicContact CD2-CD2 4.22Å; Y557-Y561 AromaticContact CE2-CD2 3.89Å; Y557-Y561 HydrophobicContact CE2-CD2 3.89Å; Y557-Y561 HydrophobicContact CE2-CE2 4.34Å; Y557-Y561 PolarHBondContact O-N 3.21Å; Y557-Y561 VanDerWaalsContact O-N 3.12Å; Y557-Y571 HydrophobicContact CD1-CE2 4.04Å; Y557-Y571 HydrophobicContact CE1-CD2 4.32Å; Y557-Y571 AromaticContact CE1-CE2 3.87Å; Y557-Y571 HydrophobicContact CE1-CE2 3.87Å
558	K	56.1	Low	57.4	Low	139 Å²	139	116.7 Å²	116.7	60%	0.604	52%	0.515	S	S	*	.	H	α-helix	trans	-63.7	-30.3	176.9	-166.8	173.8	-177.3	179.2	0	112.4	I554 Y555	I554-K558 WeakPolarHBondContact O-CB 3.48Å; I554-K558 PolarHBondContact O-N 2.93Å; Y555-K558 PolarHBondContact O-N 2.72Å
559	Q	58	Low	57	Low	171 Å²	171	123.5 Å²	123.5	80%	0.799	54%	0.538	S	S	*	.	H	α-helix	trans	-79.2	-27.6	177.4	-167.4	162.6	0.8	0	0	113.2	Y555 Q556 Y557	Y555-Q559 PolarHBondContact O-N 3.46Å; Y555-Q559 VanDerWaalsContact O-N 3.16Å; Q556-Q559 PolarHBondContact O-N 3.46Å; Y557-Q559 PolarHBondContact O-N 3.11Å
560	Y	53.4	Low	56.8	Low	181 Å²	181	127.4 Å²	127.4	71%	0.71	56%	0.556	S	S	*	*	H	α-helix	trans	-91.5	-24.9	-177	-142.5	-91.5	0	0	0	113.9	Q556 Y557	Q556-Y560 PolarHBondContact O-N 3.01Å; Q556-Y560 VanDerWaalsContact O-N 3.16Å; Y557-Y560 PolarHBondContact O-N 2.92Å
561	Y	53.4	Low	56.6	Low	133 Å²	133	132.6 Å²	132.6	52%	0.522	58%	0.575	S	S	.	*			trans	-133.2	79.9	-179.5	-64.7	-76.1	0	0	0	112.5	Y557 H563	Y557-Y561 HydrophobicContact CD2-CD2 4.22Å; Y557-Y561 AromaticContact CE2-CD2 3.89Å; Y557-Y561 HydrophobicContact CE2-CD2 3.89Å; Y557-Y561 HydrophobicContact CE2-CE2 4.34Å; Y557-Y561 PolarHBondContact O-N 3.21Å; Y557-Y561 VanDerWaalsContact O-N 3.12Å; Y561-H563 VanDerWaalsContact C-N 3.26Å; Y561-H563 PolarHBondContact O-N 3.29Å
562	P	54	Low	56.6	Low	83 Å²	83	137.9 Å²	137.9	54%	0.539	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.1	2.1	-175.9	28.3	-33.4	0	0	0	115.3	Y565	P562-Y565 WeakPolarHBondContact O-CE2 3.04Å
563	H	52.2	Low	56.8	Low	165 Å²	165	141.7 Å²	141.7	76%	0.764	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.8	10.2	-160.2	-120.3	-60.1	0	0	0	119.5	Y561	Y561-H563 VanDerWaalsContact C-N 3.26Å; Y561-H563 PolarHBondContact O-N 3.29Å
564	Y	53.4	Low	57	Low	214 Å²	214	146.6 Å²	146.6	84%	0.839	62%	0.621	S	S	*	*			trans	-110.9	70.6	177	-89.2	-89.4	0	0	0	112.1	H566	Y564-H566 VanDerWaalsContact C-N 3.35Å; Y564-H566 PolarHBondContact O-N 3.33Å
565	Y	48.1	Very low	57.1	Low	182 Å²	182	147.3 Å²	147.3	71%	0.714	62%	0.621	S	S	*	*			trans	-86.9	13.1	-177.2	-77.7	-73.1	0	0	0	115.3	P562	P562-Y565 WeakPolarHBondContact O-CE2 3.04Å
566	H	50.4	Low	57.6	Low	172 Å²	172	142.9 Å²	142.9	80%	0.796	61%	0.609	S	S	*	*	S	Bend	trans	-125.9	25.2	-166.2	-131.4	58.4	0	0	0	117.9	Y564	Y564-H566 VanDerWaalsContact C-N 3.35Å; Y564-H566 PolarHBondContact O-N 3.33Å
567	Y	52.4	Low	58.1	Low	190 Å²	190	141 Å²	141	75%	0.745	60%	0.601	S	S	*	*			trans	-144.9	78	165.8	-81.6	-80.5	0	0	0	111.3	Y569 H570 Y571	Y567-Y569 VanDerWaalsContact C-N 3.25Å; Y567-Y569 PolarHBondContact O-N 2.98Å; Y567-H570 PolarHBondContact O-N 2.62Å; Y567-Y571 PolarHBondContact O-N 2.95Å
568	H	54.5	Low	58.6	Low	168 Å²	168	138.2 Å²	138.2	78%	0.778	59%	0.591	S	S	*	*	H	α-helix	trans	-62.1	-27.9	-174.7	-149.8	-78.5	0	0	0	113.6
569	Y	56.5	Low	59.1	Low	214 Å²	214	134 Å²	134	84%	0.839	58%	0.575	S	S	*	*	H	α-helix	trans	-76.4	-38.1	178.2	-93.1	-85.7	0	0	0	113.7	Y567 Y573	Y567-Y569 VanDerWaalsContact C-N 3.25Å; Y567-Y569 PolarHBondContact O-N 2.98Å; Y569-Y573 PolarHBondContact O-N 2.94Å
570	H	59.3	Low	59.8	Low	110 Å²	110	131 Å²	131	51%	0.509	56%	0.559	S	S	.	*	H	α-helix	trans	-73.8	-37.7	-177.2	-147.1	-144	0	0	0	110.7	Y567 Y572 Y573 Y574	Y567-H570 PolarHBondContact O-N 2.62Å; H570-Y572 PolarHBondContact O-N 2.92Å; H570-Y573 PolarHBondContact O-N 3.14Å; H570-Y574 AromaticContact CE1-CE2 3.47Å; H570-Y574 VanDerWaalsContact CE1-CE2 3.47Å; H570-Y574 WeakPolarHBondContact CE1-CE2 3.35Å; H570-Y574 AromaticContact CG-CE2 3.99Å; H570-Y574 AromaticContact ND1-CE2 3.58Å; H570-Y574 AromaticContact NE2-CE2 3.75Å; H570-Y574 VanDerWaalsContact O-CD2 3.27Å; H570-Y574 WeakPolarHBondContact O-CD2 3.44Å; H570-Y574 PolarHBondContact O-N 3.18Å
571	Y	61.1	Low	60.5	Low	111 Å²	111	127.3 Å²	127.3	44%	0.435	55%	0.547	S	S	.	.	H	α-helix	trans	-58	-45.8	174.4	179.9	-101	0	0	0	112.6	Y557 Y567 Y574 Y575	Y557-Y571 HydrophobicContact CD1-CE2 4.04Å; Y557-Y571 HydrophobicContact CE1-CD2 4.32Å; Y557-Y571 AromaticContact CE1-CE2 3.87Å; Y557-Y571 HydrophobicContact CE1-CE2 3.87Å; Y567-Y571 PolarHBondContact O-N 2.95Å; Y571-Y574 PolarHBondContact O-N 2.81Å; Y571-Y575 VanDerWaalsContact O-CB 3.29Å; Y571-Y575 WeakPolarHBondContact O-CB 3.42Å; Y571-Y575 PolarHBondContact O-N 3.4Å
572	Y	64.6	Low	61.1	Low	148 Å²	148	121.8 Å²	121.8	58%	0.58	53%	0.526	S	S	*	.	H	α-helix	trans	-66.5	-37.4	179.6	-169.4	-106.4	0	0	0	112.7	H570 Y575 I576	H570-Y572 PolarHBondContact O-N 2.92Å; Y572-Y575 WeakPolarHBondContact O-CB 3.24Å; Y572-Y575 PolarHBondContact O-N 3Å; Y572-I576 HydrophobicContact CD1-CD1 3.69Å; Y572-I576 HydrophobicContact CD1-CG1 4.46Å; Y572-I576 HydrophobicContact CE1-CD1 3.26Å; Y572-I576 HydrophobicContact CE1-CG1 4.2Å; Y572-I576 WeakPolarHBondContact O-CG1 3.39Å; Y572-I576 PolarHBondContact O-N 3.16Å
573	Y	67	Low	61.9	Low	138 Å²	138	121.4 Å²	121.4	54%	0.541	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-46.7	175.7	-178.9	-105.1	0	0	0	112.5	Y569 H570 Y575 I576 I577	Y569-Y573 PolarHBondContact O-N 2.94Å; H570-Y573 PolarHBondContact O-N 3.14Å; Y573-Y575 VanDerWaalsContact C-N 3.28Å; Y573-Y575 PolarHBondContact O-N 3.35Å; Y573-I576 PolarHBondContact O-N 2.97Å; Y573-I577 HydrophobicContact CD1-CD1 3.76Å; Y573-I577 HydrophobicContact CD2-CD1 4.49Å; Y573-I577 HydrophobicContact CE1-CD1 3.25Å; Y573-I577 HydrophobicContact CE1-CG1 4.46Å; Y573-I577 HydrophobicContact CE2-CD1 4.05Å; Y573-I577 HydrophobicContact CG-CD1 4.37Å; Y573-I577 VanDerWaalsContact CZ-CD1 3.42Å; Y573-I577 WeakPolarHBondContact O-CG1 3.21Å; Y573-I577 PolarHBondContact O-N 3.31Å
574	Y	66.1	Low	62.8	Low	117 Å²	117	114.4 Å²	114.4	46%	0.459	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-37.1	174.2	-85.7	-76.2	0	0	0	112.3	H570 Y571 I577 F578	H570-Y574 AromaticContact CE1-CE2 3.47Å; H570-Y574 VanDerWaalsContact CE1-CE2 3.47Å; H570-Y574 WeakPolarHBondContact CE1-CE2 3.35Å; H570-Y574 AromaticContact CG-CE2 3.99Å; H570-Y574 AromaticContact ND1-CE2 3.58Å; H570-Y574 AromaticContact NE2-CE2 3.75Å; H570-Y574 VanDerWaalsContact O-CD2 3.27Å; H570-Y574 WeakPolarHBondContact O-CD2 3.44Å; H570-Y574 PolarHBondContact O-N 3.18Å; Y571-Y574 PolarHBondContact O-N 2.81Å; Y574-I577 PolarHBondContact O-N 2.94Å; Y574-F578 VanDerWaalsContact O-CB 3.31Å; Y574-F578 WeakPolarHBondContact O-CB 3.47Å; Y574-F578 PolarHBondContact O-N 3.32Å
575	Y	64.8	Low	63.5	Low	60 Å²	60	108.3 Å²	108.3	24%	0.235	47%	0.465	C	S	.	.	H	α-helix	trans	-62.9	-46.1	175.9	176.8	-109.9	0	0	0	112.6	I554 Y571 Y572 Y573 F578 I579	I554-Y575 HydrophobicContact CD1-CD2 4.23Å; I554-Y575 HydrophobicContact CD1-CE2 3.28Å; I554-Y575 HydrophobicContact CG1-CD2 4.17Å; I554-Y575 HydrophobicContact CG1-CE2 3.62Å; Y571-Y575 VanDerWaalsContact O-CB 3.29Å; Y571-Y575 WeakPolarHBondContact O-CB 3.42Å; Y571-Y575 PolarHBondContact O-N 3.4Å; Y572-Y575 WeakPolarHBondContact O-CB 3.24Å; Y572-Y575 PolarHBondContact O-N 3Å; Y573-Y575 VanDerWaalsContact C-N 3.28Å; Y573-Y575 PolarHBondContact O-N 3.35Å; Y575-F578 PolarHBondContact O-N 2.95Å; Y575-I579 HydrophobicContact CD1-CD1 3.93Å; Y575-I579 HydrophobicContact CD2-CD1 4.27Å; Y575-I579 HydrophobicContact CE1-CD1 3.36Å; Y575-I579 HydrophobicContact CE2-CD1 3.71Å; Y575-I579 HydrophobicContact CE2-CG1 4.22Å; Y575-I579 HydrophobicContact CG-CD1 4.37Å; Y575-I579 WeakPolarHBondContact O-CG1 3.36Å; Y575-I579 PolarHBondContact O-N 3.28Å
576	I	69.5	Low	64.3	Low	82 Å²	82	101.1 Å²	101.1	42%	0.421	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-45	176.2	-72.4	173.7	0	0	0	111	Y572 Y573 F578 I579 F580	Y572-I576 HydrophobicContact CD1-CD1 3.69Å; Y572-I576 HydrophobicContact CD1-CG1 4.46Å; Y572-I576 HydrophobicContact CE1-CD1 3.26Å; Y572-I576 HydrophobicContact CE1-CG1 4.2Å; Y572-I576 WeakPolarHBondContact O-CG1 3.39Å; Y572-I576 PolarHBondContact O-N 3.16Å; Y573-I576 PolarHBondContact O-N 2.97Å; I576-F578 VanDerWaalsContact C-N 3.31Å; I576-F578 PolarHBondContact O-N 3.46Å; I576-I579 PolarHBondContact O-N 3.06Å; I576-F580 WeakPolarHBondContact O-CB 3.47Å; I576-F580 PolarHBondContact O-N 3.46Å
577	I	69.6	Low	65.3	Low	58 Å²	58	98 Å²	98	30%	0.297	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-40.8	177.4	-70.2	173.5	0	0	0	111	Y573 Y574 F580 K581	Y573-I577 HydrophobicContact CD1-CD1 3.76Å; Y573-I577 HydrophobicContact CD2-CD1 4.49Å; Y573-I577 HydrophobicContact CE1-CD1 3.25Å; Y573-I577 HydrophobicContact CE1-CG1 4.46Å; Y573-I577 HydrophobicContact CE2-CD1 4.05Å; Y573-I577 HydrophobicContact CG-CD1 4.37Å; Y573-I577 VanDerWaalsContact CZ-CD1 3.42Å; Y573-I577 WeakPolarHBondContact O-CG1 3.21Å; Y573-I577 PolarHBondContact O-N 3.31Å; Y574-I577 PolarHBondContact O-N 2.94Å; I577-F580 PolarHBondContact O-N 2.93Å; I577-K581 WeakPolarHBondContact O-CB 3.13Å; I577-K581 PolarHBondContact O-N 3.17Å
578	F	66.1	Low	66.1	Low	67 Å²	67	89.3 Å²	89.3	29%	0.294	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-45.6	177.7	-178.5	-93.7	0	0	0	111.9	S553 Y574 Y575 I576 F580 K581 L582	S553-F578 WeakPolarHBondContact OG-CE1 3.36Å; Y574-F578 VanDerWaalsContact O-CB 3.31Å; Y574-F578 WeakPolarHBondContact O-CB 3.47Å; Y574-F578 PolarHBondContact O-N 3.32Å; Y575-F578 PolarHBondContact O-N 2.95Å; I576-F578 VanDerWaalsContact C-N 3.31Å; I576-F578 PolarHBondContact O-N 3.46Å; F578-F580 VanDerWaalsContact C-N 3.35Å; F578-F580 PolarHBondContact O-N 2.94Å; F578-K581 PolarHBondContact O-N 2.98Å; F578-L582 WeakPolarHBondContact O-CB 3.44Å; F578-L582 PolarHBondContact O-N 3.14Å
579	I	67.8	Low	66.8	Low	49 Å²	49	84.8 Å²	84.8	25%	0.251	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-44.9	175.1	-72.1	171.1	0	0	0	111	A550 Y575 I576 K581 L582 F583	A550-I579 HydrophobicContact CB-CG1 4.2Å; Y575-I579 HydrophobicContact CD1-CD1 3.93Å; Y575-I579 HydrophobicContact CD2-CD1 4.27Å; Y575-I579 HydrophobicContact CE1-CD1 3.36Å; Y575-I579 HydrophobicContact CE2-CD1 3.71Å; Y575-I579 HydrophobicContact CE2-CG1 4.22Å; Y575-I579 HydrophobicContact CG-CD1 4.37Å; Y575-I579 WeakPolarHBondContact O-CG1 3.36Å; Y575-I579 PolarHBondContact O-N 3.28Å; I576-I579 PolarHBondContact O-N 3.06Å; I579-K581 VanDerWaalsContact C-N 3.31Å; I579-K581 PolarHBondContact O-N 3.21Å; I579-L582 PolarHBondContact O-N 3.07Å; I579-F583 WeakPolarHBondContact O-CB 3.41Å; I579-F583 PolarHBondContact O-N 3.48Å
580	F	71.8	Confident	67.5	Low	108 Å²	108	76.4 Å²	76.4	47%	0.474	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-41.5	179.5	-177.6	-103.7	0	0	0	111.7	I576 I577 F578 F583 L584	I576-F580 WeakPolarHBondContact O-CB 3.47Å; I576-F580 PolarHBondContact O-N 3.46Å; I577-F580 PolarHBondContact O-N 2.93Å; F578-F580 VanDerWaalsContact C-N 3.35Å; F578-F580 PolarHBondContact O-N 2.94Å; F580-F583 PolarHBondContact O-N 3.41Å; F580-L584 HydrophobicContact CD1-CD1 3.9Å; F580-L584 HydrophobicContact CE1-CD1 3.36Å; F580-L584 HydrophobicContact CE1-CG 4.13Å; F580-L584 HydrophobicContact CZ-CD1 3.77Å; F580-L584 HydrophobicContact CZ-CD2 4.48Å; F580-L584 HydrophobicContact CZ-CG 4.18Å; F580-L584 WeakPolarHBondContact O-CG 3.3Å; F580-L584 PolarHBondContact O-N 3.23Å
581	K	67.6	Low	68.2	Low	104 Å²	104	73.3 Å²	73.3	45%	0.452	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-44.6	174.6	-169.2	177.4	-179.2	179	0	112	I577 F578 I579 F583 L584 M585 E800	I577-K581 WeakPolarHBondContact O-CB 3.13Å; I577-K581 PolarHBondContact O-N 3.17Å; F578-K581 PolarHBondContact O-N 2.98Å; I579-K581 VanDerWaalsContact C-N 3.31Å; I579-K581 PolarHBondContact O-N 3.21Å; K581-F583 VanDerWaalsContact C-N 3.34Å; K581-F583 PolarHBondContact O-N 3.02Å; K581-L584 PolarHBondContact O-N 3.35Å; K581-M585 WeakPolarHBondContact O-CB 3.39Å; K581-M585 PolarHBondContact O-N 2.76Å; K581-E800 WeakPolarHBondContact CE-OE1 3.49Å; K581-E800 WeakPolarHBondContact CG-OE1 3.13Å
582	L	66.5	Low	68.8	Low	17 Å²	17	69.5 Å²	69.5	9%	0.089	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-43.2	176.3	-176.7	71.3	0	0	0	111.6	I546 M549 F578 I579 M585 C586	I546-L582 HydrophobicContact CG2-CD2 4.34Å; M549-L582 HydrophobicContact CB-CD2 3.76Å; F578-L582 WeakPolarHBondContact O-CB 3.44Å; F578-L582 PolarHBondContact O-N 3.14Å; I579-L582 PolarHBondContact O-N 3.07Å; L582-M585 HydrophobicContact CD1-CE 3.81Å; L582-M585 PolarHBondContact O-N 2.94Å; L582-C586 PolarHBondContact O-N 3.42Å; L582-C586 PolarHBondContact O-SG 2.93Å; L582-C586 VanDerWaalsContact O-SG 3.42Å
583	F	70.1	Confident	69.1	Low	76 Å²	76	65.7 Å²	65.7	33%	0.333	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-47.9	175.6	176.7	-89.1	0	0	0	111.4	I546 I579 F580 K581 M585 C586 F587	I546-F583 HydrophobicContact CD1-CD2 3.6Å; I546-F583 HydrophobicContact CD1-CE2 4.29Å; I546-F583 HydrophobicContact CD1-CG 4.48Å; I579-F583 WeakPolarHBondContact O-CB 3.41Å; I579-F583 PolarHBondContact O-N 3.48Å; F580-F583 PolarHBondContact O-N 3.41Å; K581-F583 VanDerWaalsContact C-N 3.34Å; K581-F583 PolarHBondContact O-N 3.02Å; F583-M585 VanDerWaalsContact C-N 3.34Å; F583-M585 PolarHBondContact O-N 2.82Å; F583-C586 PolarHBondContact O-N 3.03Å; F583-F587 VanDerWaalsContact O-CB 3.3Å; F583-F587 WeakPolarHBondContact O-CB 3.13Å; F583-F587 PolarHBondContact O-N 3.22Å
584	L	71.1	Confident	69.4	Low	18 Å²	18	63.2 Å²	63.2	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-39.8	176.8	-75.6	177.4	0	0	0	112.4	F580 K581 S588 E800 V803	F580-L584 HydrophobicContact CD1-CD1 3.9Å; F580-L584 HydrophobicContact CE1-CD1 3.36Å; F580-L584 HydrophobicContact CE1-CG 4.13Å; F580-L584 HydrophobicContact CZ-CD1 3.77Å; F580-L584 HydrophobicContact CZ-CD2 4.48Å; F580-L584 HydrophobicContact CZ-CG 4.18Å; F580-L584 WeakPolarHBondContact O-CG 3.3Å; F580-L584 PolarHBondContact O-N 3.23Å; K581-L584 PolarHBondContact O-N 3.35Å; L584-S588 WeakPolarHBondContact O-CB 3.33Å; L584-S588 PolarHBondContact O-N 3.21Å; L584-E800 HydrophobicContact CB-CG 4.28Å; L584-V803 HydrophobicContact CD1-CG1 4.27Å; L584-V803 HydrophobicContact CD2-CG1 3.99Å
585	M	68.5	Low	69.8	Low	85 Å²	85	62.2 Å²	62.2	42%	0.419	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-47.1	175.8	-172.9	-170.3	74.7	0	0	111.3	K581 L582 F583 L589 E800	K581-M585 WeakPolarHBondContact O-CB 3.39Å; K581-M585 PolarHBondContact O-N 2.76Å; L582-M585 HydrophobicContact CD1-CE 3.81Å; L582-M585 PolarHBondContact O-N 2.94Å; F583-M585 VanDerWaalsContact C-N 3.34Å; F583-M585 PolarHBondContact O-N 2.82Å; M585-L589 WeakPolarHBondContact O-CB 3.36Å; M585-L589 PolarHBondContact O-N 3.16Å; M585-E800 WeakPolarHBondContact CB-OE2 3.34Å
586	C	65.5	Low	70.3	Confident	31 Å²	31	59.8 Å²	59.8	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-46.6	176.8	-73.6	0	0	0	0	111.8	L582 F583 S588 L589 I590	L582-C586 PolarHBondContact O-N 3.42Å; L582-C586 PolarHBondContact O-SG 2.93Å; L582-C586 VanDerWaalsContact O-SG 3.42Å; F583-C586 PolarHBondContact O-N 3.03Å; C586-S588 PolarHBondContact O-N 3.1Å; C586-L589 PolarHBondContact O-N 3.38Å; C586-I590 VanDerWaalsContact O-CG1 3.24Å; C586-I590 WeakPolarHBondContact O-CG1 3.45Å; C586-I590 PolarHBondContact O-N 3.05Å
587	F	70.6	Confident	70.5	Confident	107 Å²	107	58.8 Å²	58.8	47%	0.469	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-45.6	178.2	-176.6	-105.2	0	0	0	112	F583 L589 I590 I591	F583-F587 VanDerWaalsContact O-CB 3.3Å; F583-F587 WeakPolarHBondContact O-CB 3.13Å; F583-F587 PolarHBondContact O-N 3.22Å; F587-L589 PolarHBondContact O-N 3.44Å; F587-I590 PolarHBondContact O-N 3.45Å; F587-I591 HydrophobicContact CD1-CD1 3.77Å; F587-I591 HydrophobicContact CE1-CD1 3.24Å; F587-I591 HydrophobicContact CE1-CG1 4.41Å; F587-I591 HydrophobicContact CE2-CD1 4.11Å; F587-I591 HydrophobicContact CG-CD1 4.41Å; F587-I591 HydrophobicContact CZ-CD1 3.45Å; F587-I591 VanDerWaalsContact CZ-CD1 3.45Å; F587-I591 HydrophobicContact CZ-CG1 4.41Å; F587-I591 WeakPolarHBondContact O-CG1 3.35Å; F587-I591 PolarHBondContact O-N 3.46Å
588	S	69.6	Low	70.8	Confident	7 Å²	7	61 Å²	61	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-56.8	-48.4	173.3	168.3	0	0	0	0	112.2	L584 C586 I590 I591 R592 L799	L584-S588 WeakPolarHBondContact O-CB 3.33Å; L584-S588 PolarHBondContact O-N 3.21Å; C586-S588 PolarHBondContact O-N 3.1Å; S588-I590 VanDerWaalsContact C-N 3.33Å; S588-I590 PolarHBondContact O-N 3.48Å; S588-I591 PolarHBondContact O-N 3.37Å; S588-R592 VanDerWaalsContact O-CG 3.3Å; S588-R592 WeakPolarHBondContact O-CG 3.22Å; S588-R592 PolarHBondContact O-N 2.69Å; S588-L799 WeakPolarHBondContact OG-CB 3.14Å
589	L	69.5	Low	71.3	Confident	74 Å²	74	59.2 Å²	59.2	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-43.8	179.6	-177.5	67.4	0	0	0	111.8	M585 C586 F587 R592 L593	M585-L589 WeakPolarHBondContact O-CB 3.36Å; M585-L589 PolarHBondContact O-N 3.16Å; C586-L589 PolarHBondContact O-N 3.38Å; F587-L589 PolarHBondContact O-N 3.44Å; L589-R592 PolarHBondContact O-N 3.2Å; L589-L593 HydrophobicContact CD1-CD1 4.1Å; L589-L593 HydrophobicContact CD1-CG 4.32Å; L589-L593 HydrophobicContact CG-CD1 3.9Å; L589-L593 HydrophobicContact CG-CG 4.47Å; L589-L593 WeakPolarHBondContact O-CB 3.42Å; L589-L593 VanDerWaalsContact O-CG 3.29Å; L589-L593 WeakPolarHBondContact O-CG 3.46Å; L589-L593 PolarHBondContact O-N 3.26Å
590	I	70.8	Confident	71.8	Confident	37 Å²	37	59.3 Å²	59.3	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-47.4	-179.7	-67.2	169.3	0	0	0	110.8	L313 L542 C586 F587 S588 R592 L593 M594	L313-I590 HydrophobicContact CD2-CD1 4.35Å; L313-I590 HydrophobicContact CD2-CG1 3.84Å; L313-I590 HydrophobicContact CD2-CG2 4.27Å; L542-I590 HydrophobicContact CD1-CD1 3.22Å; L542-I590 HydrophobicContact CG-CD1 4.46Å; C586-I590 VanDerWaalsContact O-CG1 3.24Å; C586-I590 WeakPolarHBondContact O-CG1 3.45Å; C586-I590 PolarHBondContact O-N 3.05Å; F587-I590 PolarHBondContact O-N 3.45Å; S588-I590 VanDerWaalsContact C-N 3.33Å; S588-I590 PolarHBondContact O-N 3.48Å; I590-R592 PolarHBondContact O-N 3.1Å; I590-L593 PolarHBondContact O-N 2.73Å; I590-M594 VanDerWaalsContact O-CB 3.3Å; I590-M594 WeakPolarHBondContact O-CB 3.34Å; I590-M594 PolarHBondContact O-N 3.11Å
591	I	73.5	Confident	71.9	Confident	46 Å²	46	57.7 Å²	57.7	24%	0.236	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-49.2	177.9	-73.6	178.8	0	0	0	110.5	F587 S588 L593 M594 F595 L799	F587-I591 HydrophobicContact CD1-CD1 3.77Å; F587-I591 HydrophobicContact CE1-CD1 3.24Å; F587-I591 HydrophobicContact CE1-CG1 4.41Å; F587-I591 HydrophobicContact CE2-CD1 4.11Å; F587-I591 HydrophobicContact CG-CD1 4.41Å; F587-I591 HydrophobicContact CZ-CD1 3.45Å; F587-I591 VanDerWaalsContact CZ-CD1 3.45Å; F587-I591 HydrophobicContact CZ-CG1 4.41Å; F587-I591 WeakPolarHBondContact O-CG1 3.35Å; F587-I591 PolarHBondContact O-N 3.46Å; S588-I591 PolarHBondContact O-N 3.37Å; I591-L593 PolarHBondContact O-N 3.38Å; I591-M594 PolarHBondContact O-N 3.41Å; I591-F595 HydrophobicContact CG2-CD2 3.69Å; I591-F595 HydrophobicContact CG2-CE2 3.78Å; I591-F595 VanDerWaalsContact O-CD2 3.28Å; I591-F595 WeakPolarHBondContact O-CD2 3.39Å; I591-F595 PolarHBondContact O-N 3.03Å; I591-L799 HydrophobicContact CD1-CD2 4.26Å
592	R	74.3	Confident	72.4	Confident	30 Å²	30	56.7 Å²	56.7	11%	0.113	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-42.8	-179.6	-69.5	-179.4	-11.9	-177.8	4.6	112.4	S588 L589 I590 S596 I794 M795	S588-R592 VanDerWaalsContact O-CG 3.3Å; S588-R592 WeakPolarHBondContact O-CG 3.22Å; S588-R592 PolarHBondContact O-N 2.69Å; L589-R592 PolarHBondContact O-N 3.2Å; I590-R592 PolarHBondContact O-N 3.1Å; R592-S596 VanDerWaalsContact O-CB 3.22Å; R592-S596 WeakPolarHBondContact O-CB 3.43Å; R592-S596 PolarHBondContact O-N 3.28Å; R592-S596 PolarHBondContact O-OG 3.42Å; R592-I794 HydrophobicContact CB-CG2 4.49Å; R592-I794 WeakPolarHBondContact CD-O 3.27Å; R592-I794 WeakPolarHBondContact CG-O 3.49Å; R592-M795 HydrophobicContact CB-SD 4.47Å; R592-M795 PolarHBondContact NH1-O 3.21Å
593	L	71.3	Confident	73.2	Confident	69 Å²	69	56.9 Å²	56.9	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-41.6	178.5	-74.6	172.8	0	0	0	111.6	L313 L589 I590 I591 S596 L597 M795	L313-L593 HydrophobicContact CD1-CD1 4.08Å; L589-L593 HydrophobicContact CD1-CD1 4.1Å; L589-L593 HydrophobicContact CD1-CG 4.32Å; L589-L593 HydrophobicContact CG-CD1 3.9Å; L589-L593 HydrophobicContact CG-CG 4.47Å; L589-L593 WeakPolarHBondContact O-CB 3.42Å; L589-L593 VanDerWaalsContact O-CG 3.29Å; L589-L593 WeakPolarHBondContact O-CG 3.46Å; L589-L593 PolarHBondContact O-N 3.26Å; I590-L593 PolarHBondContact O-N 2.73Å; I591-L593 PolarHBondContact O-N 3.38Å; L593-S596 PolarHBondContact O-N 2.9Å; L593-L597 VanDerWaalsContact O-CB 3.3Å; L593-L597 WeakPolarHBondContact O-CB 3.41Å; L593-L597 PolarHBondContact O-N 3.07Å; L593-M795 HydrophobicContact CD2-CE 4.41Å; L593-M795 HydrophobicContact CD2-SD 4.49Å
594	M	73.5	Confident	73.8	Confident	85 Å²	85	57.7 Å²	57.7	42%	0.419	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-51.3	177.4	-178.6	-168.1	71.8	0	0	111.3	M317 I590 I591 L597 L598	M317-M594 HydrophobicContact CE-CG 4.43Å; M317-M594 HydrophobicContact SD-CG 4.4Å; I590-M594 VanDerWaalsContact O-CB 3.3Å; I590-M594 WeakPolarHBondContact O-CB 3.34Å; I590-M594 PolarHBondContact O-N 3.11Å; I591-M594 PolarHBondContact O-N 3.41Å; M594-L597 PolarHBondContact O-N 3.23Å; M594-L598 PolarHBondContact O-N 3.04Å
595	F	73.1	Confident	74	Confident	97 Å²	97	60 Å²	60	43%	0.425	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-40.6	178	-82.1	-69.5	0	0	0	112.3	I591 L597 L598 L599 I794	I591-F595 HydrophobicContact CG2-CD2 3.69Å; I591-F595 HydrophobicContact CG2-CE2 3.78Å; I591-F595 VanDerWaalsContact O-CD2 3.28Å; I591-F595 WeakPolarHBondContact O-CD2 3.39Å; I591-F595 PolarHBondContact O-N 3.03Å; F595-L597 PolarHBondContact O-N 3.18Å; F595-L598 PolarHBondContact O-N 3.07Å; F595-L599 WeakPolarHBondContact O-CG 3.35Å; F595-L599 PolarHBondContact O-N 2.96Å; F595-I794 HydrophobicContact CB-CD1 4.24Å; F595-I794 HydrophobicContact CB-CG2 4.01Å
596	S	76.2	Confident	74.7	Confident	9 Å²	9	57.7 Å²	57.7	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-41.8	176.7	-60.7	0	0	0	0	111.7	R592 L593 L598 L599 C600 M795	R592-S596 VanDerWaalsContact O-CB 3.22Å; R592-S596 WeakPolarHBondContact O-CB 3.43Å; R592-S596 PolarHBondContact O-N 3.28Å; R592-S596 PolarHBondContact O-OG 3.42Å; L593-S596 PolarHBondContact O-N 2.9Å; S596-L598 PolarHBondContact O-N 3.46Å; S596-L599 PolarHBondContact O-N 2.95Å; S596-C600 WeakPolarHBondContact O-CB 3.4Å; S596-C600 PolarHBondContact O-N 2.86Å; S596-C600 PolarHBondContact O-SG 3.42Å; S596-M795 WeakPolarHBondContact OG-CG 3.49Å; S596-M795 PolarHBondContact OG-SD 3.08Å
597	L	73.2	Confident	75.6	Confident	61 Å²	61	61.4 Å²	61.4	32%	0.319	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-42.5	176.6	-169.8	154.9	0	0	0	111.2	M317 M321 L593 M594 F595 L599 C600 L601	M317-L597 HydrophobicContact CE-CB 4.13Å; M317-L597 HydrophobicContact CE-CD1 3.78Å; M317-L597 HydrophobicContact CE-CD2 3.53Å; M317-L597 HydrophobicContact CE-CG 4Å; M317-L597 HydrophobicContact CG-CD1 4.16Å; M321-L597 HydrophobicContact CE-CD2 4.31Å; L593-L597 VanDerWaalsContact O-CB 3.3Å; L593-L597 WeakPolarHBondContact O-CB 3.41Å; L593-L597 PolarHBondContact O-N 3.07Å; M594-L597 PolarHBondContact O-N 3.23Å; F595-L597 PolarHBondContact O-N 3.18Å; L597-L599 PolarHBondContact O-N 2.95Å; L597-C600 PolarHBondContact O-N 2.87Å; L597-L601 HydrophobicContact CD2-CD1 3.5Å; L597-L601 VanDerWaalsContact CD2-CD1 3.5Å; L597-L601 HydrophobicContact CD2-CG 3.92Å; L597-L601 WeakPolarHBondContact O-CG 3.5Å; L597-L601 PolarHBondContact O-N 3.26Å
598	L	76.1	Confident	76.1	Confident	103 Å²	103	58.9 Å²	58.9	54%	0.539	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-45.4	175.5	-178	65.5	0	0	0	111.9	M594 F595 S596 L601 L602	M594-L598 PolarHBondContact O-N 3.04Å; F595-L598 PolarHBondContact O-N 3.07Å; S596-L598 PolarHBondContact O-N 3.46Å; L598-L601 PolarHBondContact O-N 2.91Å; L598-L602 PolarHBondContact O-N 3.26Å
599	L	77	Confident	76.5	Confident	31 Å²	31	61.2 Å²	61.2	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-68.5	-34.1	176.8	-66.6	-177.9	0	0	0	112.7	F595 S596 L597 L602 L603 L787 L790 I791 I794	F595-L599 WeakPolarHBondContact O-CG 3.35Å; F595-L599 PolarHBondContact O-N 2.96Å; S596-L599 PolarHBondContact O-N 2.95Å; L597-L599 PolarHBondContact O-N 2.95Å; L599-L602 PolarHBondContact O-N 2.99Å; L599-L603 WeakPolarHBondContact O-CB 3.49Å; L599-L603 PolarHBondContact O-N 3.48Å; L599-L787 HydrophobicContact CB-CD1 3.99Å; L599-L787 HydrophobicContact CD1-CD1 4.37Å; L599-L787 HydrophobicContact CD2-CD1 3.61Å; L599-L787 HydrophobicContact CG-CD1 4.19Å; L599-L790 HydrophobicContact CD1-CB 4.12Å; L599-I791 HydrophobicContact CB-CD1 4.02Å; L599-I791 HydrophobicContact CB-CG1 3.55Å; L599-I791 HydrophobicContact CD1-CG1 3.9Å; L599-I791 HydrophobicContact CG-CG1 4.42Å; L599-I794 HydrophobicContact CD1-CD1 3.5Å; L599-I794 VanDerWaalsContact CD1-CD1 3.5Å
600	C	77.8	Confident	77.2	Confident	51 Å²	51	58 Å²	58	35%	0.345	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-45.5	172.5	-72.1	0	0	0	0	111.3	S596 L597 L602 L603 D604	S596-C600 WeakPolarHBondContact O-CB 3.4Å; S596-C600 PolarHBondContact O-N 2.86Å; S596-C600 PolarHBondContact O-SG 3.42Å; L597-C600 PolarHBondContact O-N 2.87Å; C600-L602 VanDerWaalsContact C-N 3.29Å; C600-L602 PolarHBondContact O-N 3.39Å; C600-L603 WeakPolarHBondContact O-CB 3.43Å; C600-L603 PolarHBondContact O-N 3.2Å; C600-L603 VanDerWaalsContact O-N 3.08Å; C600-D604 VanDerWaalsContact O-CG 3.32Å; C600-D604 PolarHBondContact O-N 3.17Å
601	L	74.6	Confident	77.9	Confident	73 Å²	73	60.3 Å²	60.3	38%	0.382	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-38.5	174.2	-72	176.6	0	0	0	111.7	M321 L597 L598 L603 D604 T605	M321-L601 HydrophobicContact CE-CD1 3.45Å; M321-L601 VanDerWaalsContact CE-CD1 3.45Å; L597-L601 HydrophobicContact CD2-CD1 3.5Å; L597-L601 VanDerWaalsContact CD2-CD1 3.5Å; L597-L601 HydrophobicContact CD2-CG 3.92Å; L597-L601 WeakPolarHBondContact O-CG 3.5Å; L597-L601 PolarHBondContact O-N 3.26Å; L598-L601 PolarHBondContact O-N 2.91Å; L601-L603 VanDerWaalsContact C-N 3.33Å; L601-D604 PolarHBondContact O-N 3.36Å; L601-T605 WeakPolarHBondContact O-CB 3.35Å; L601-T605 VanDerWaalsContact O-CG2 3.27Å; L601-T605 WeakPolarHBondContact O-CG2 3.48Å; L601-T605 PolarHBondContact O-N 2.91Å; L601-T605 PolarHBondContact O-OG1 3.47Å
602	L	77.5	Confident	78.5	Confident	83 Å²	83	58.4 Å²	58.4	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-40.2	173.1	-175.2	64.9	0	0	0	111.6	L598 L599 C600 T605 I606 L787	L598-L602 PolarHBondContact O-N 3.26Å; L599-L602 PolarHBondContact O-N 2.99Å; C600-L602 VanDerWaalsContact C-N 3.29Å; C600-L602 PolarHBondContact O-N 3.39Å; L602-T605 WeakPolarHBondContact CA-OG1 3.31Å; L602-T605 PolarHBondContact O-N 3.31Å; L602-T605 PolarHBondContact O-OG1 3.42Å; L602-I606 HydrophobicContact CD1-CD1 4.42Å; L602-I606 HydrophobicContact CG-CD1 4.09Å; L602-I606 WeakPolarHBondContact O-CB 3.33Å; L602-I606 VanDerWaalsContact O-CG1 3.24Å; L602-I606 WeakPolarHBondContact O-CG1 3.43Å; L602-I606 PolarHBondContact O-N 2.89Å; L602-L787 HydrophobicContact CB-CD2 4.34Å; L602-L787 HydrophobicContact CD2-CD1 4.21Å; L602-L787 HydrophobicContact CD2-CD2 4.24Å; L602-L787 HydrophobicContact CG-CD2 4.15Å
603	L	83.1	Confident	79.1	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-43.9	177.2	-175.3	65.4	0	0	0	111.4	L599 C600 L601 I606 E607 K784 L787 K788	L599-L603 WeakPolarHBondContact O-CB 3.49Å; L599-L603 PolarHBondContact O-N 3.48Å; C600-L603 WeakPolarHBondContact O-CB 3.43Å; C600-L603 PolarHBondContact O-N 3.2Å; C600-L603 VanDerWaalsContact O-N 3.08Å; L601-L603 VanDerWaalsContact C-N 3.33Å; L603-I606 PolarHBondContact O-N 3.47Å; L603-E607 WeakPolarHBondContact O-CB 3.43Å; L603-E607 PolarHBondContact O-N 2.93Å; L603-K784 HydrophobicContact CD1-CB 4.19Å; L603-K784 HydrophobicContact CD1-CG 3.98Å; L603-L787 HydrophobicContact CB-CD2 3.67Å; L603-L787 HydrophobicContact CB-CG 4.41Å; L603-L787 HydrophobicContact CD1-CD2 3.9Å; L603-L787 HydrophobicContact CD1-CG 4.46Å; L603-L787 HydrophobicContact CG-CD2 4.38Å; L603-K788 HydrophobicContact CD2-CG 4.06Å
604	D	83.4	Confident	79.8	Confident	94 Å²	94	55.4 Å²	55.4	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-41.1	178.4	-68.4	-15.8	0	0	0	111.5	C600 L601 E607 L608	C600-D604 VanDerWaalsContact O-CG 3.32Å; C600-D604 PolarHBondContact O-N 3.17Å; L601-D604 PolarHBondContact O-N 3.36Å; D604-E607 PolarHBondContact O-N 3.44Å; D604-L608 WeakPolarHBondContact O-CB 3.24Å; D604-L608 PolarHBondContact O-N 3.49Å
605	T	75.7	Confident	80.4	Confident	67 Å²	67	52.8 Å²	52.8	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-66.1	-41.1	175.4	53	0	0	0	0	112	L601 L602 E607 L608 I609	L601-T605 WeakPolarHBondContact O-CB 3.35Å; L601-T605 VanDerWaalsContact O-CG2 3.27Å; L601-T605 WeakPolarHBondContact O-CG2 3.48Å; L601-T605 PolarHBondContact O-N 2.91Å; L601-T605 PolarHBondContact O-OG1 3.47Å; L602-T605 WeakPolarHBondContact CA-OG1 3.31Å; L602-T605 PolarHBondContact O-N 3.31Å; L602-T605 PolarHBondContact O-OG1 3.42Å; T605-E607 VanDerWaalsContact C-N 3.32Å; T605-E607 PolarHBondContact O-N 3.32Å; T605-L608 PolarHBondContact O-N 2.87Å; T605-I609 WeakPolarHBondContact O-CB 3.41Å; T605-I609 VanDerWaalsContact O-CG1 3.28Å; T605-I609 WeakPolarHBondContact O-CG1 3.3Å; T605-I609 PolarHBondContact O-N 3.44Å
606	I	83	Confident	81.2	Confident	35 Å²	35	48.2 Å²	48.2	18%	0.179	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-42.2	172.9	-69.6	167	0	0	0	110.4	L602 L603 I609 T610 I783 L787	L602-I606 HydrophobicContact CD1-CD1 4.42Å; L602-I606 HydrophobicContact CG-CD1 4.09Å; L602-I606 WeakPolarHBondContact O-CB 3.33Å; L602-I606 VanDerWaalsContact O-CG1 3.24Å; L602-I606 WeakPolarHBondContact O-CG1 3.43Å; L602-I606 PolarHBondContact O-N 2.89Å; L603-I606 PolarHBondContact O-N 3.47Å; I606-I609 PolarHBondContact O-N 3.31Å; I606-T610 HydrophobicContact CG2-CG2 4.21Å; I606-T610 VanDerWaalsContact O-CB 3.27Å; I606-T610 WeakPolarHBondContact O-CB 3.09Å; I606-T610 WeakPolarHBondContact O-CG2 3.41Å; I606-T610 PolarHBondContact O-N 3.49Å; I606-T610 PolarHBondContact O-OG1 2.89Å; I606-I783 HydrophobicContact CD1-CG2 4.31Å; I606-L787 HydrophobicContact CD1-CD2 4.09Å
607	E	83	Confident	81.8	Confident	110 Å²	110	48.2 Å²	48.2	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-42.3	177.9	-171.3	161.9	-169	0	0	112.3	L603 D604 T605 T610 L611	L603-E607 WeakPolarHBondContact O-CB 3.43Å; L603-E607 PolarHBondContact O-N 2.93Å; D604-E607 PolarHBondContact O-N 3.44Å; T605-E607 VanDerWaalsContact C-N 3.32Å; T605-E607 PolarHBondContact O-N 3.32Å; E607-T610 PolarHBondContact O-N 2.93Å; E607-L611 PolarHBondContact O-N 3.12Å; E607-L611 VanDerWaalsContact O-N 3.11Å
608	L	81.3	Confident	82.4	Confident	54 Å²	54	47.2 Å²	47.2	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-44.6	175.9	-175.5	66.9	0	0	0	112.2	W493 Y496 I500 D604 T605 T610	W493-L608 PolarHBondContact NE1-O 3.47Å; Y496-L608 HydrophobicContact CE1-CD1 3.94Å; I500-L608 HydrophobicContact CD1-CD1 3.91Å; I500-L608 HydrophobicContact CD1-CD2 4.28Å; I500-L608 HydrophobicContact CG2-CD2 4.43Å; D604-L608 WeakPolarHBondContact O-CB 3.24Å; D604-L608 PolarHBondContact O-N 3.49Å; T605-L608 PolarHBondContact O-N 2.87Å; L608-T610 VanDerWaalsContact C-N 3.34Å
609	I	78.2	Confident	83.1	Confident	55 Å²	55	46.7 Å²	46.7	28%	0.282	25%	0.245	S	C	.	.	H	α-helix	trans	-67.6	-38.2	179.8	-69	167.8	0	0	0	110.4	F453 W493 T605 I606 H612	F453-I609 HydrophobicContact CE1-CG2 4.37Å; W493-I609 HydrophobicContact CH2-CG2 4.48Å; W493-I609 HydrophobicContact CZ2-CB 4.35Å; W493-I609 HydrophobicContact CZ2-CG2 4.04Å; W493-I609 WeakPolarHBondContact CZ2-O 3.03Å; W493-I609 PolarHBondContact NE1-O 3.38Å; T605-I609 WeakPolarHBondContact O-CB 3.41Å; T605-I609 VanDerWaalsContact O-CG1 3.28Å; T605-I609 WeakPolarHBondContact O-CG1 3.3Å; T605-I609 PolarHBondContact O-N 3.44Å; I606-I609 PolarHBondContact O-N 3.31Å; I609-H612 PolarHBondContact O-CE1 3.43Å; I609-H612 PolarHBondContact O-ND1 3.07Å; I609-H612 VanDerWaalsContact O-ND1 3.13Å
610	T	85.9	Confident	83.6	Confident	8 Å²	8	45.4 Å²	45.4	5%	0.049	24%	0.239	C	C	.	.	H	α-helix	trans	-90.5	0.9	-173.2	61	0	0	0	0	114.7	I606 E607 L608 H612 L613 T614 L780	I606-T610 HydrophobicContact CG2-CG2 4.21Å; I606-T610 VanDerWaalsContact O-CB 3.27Å; I606-T610 WeakPolarHBondContact O-CB 3.09Å; I606-T610 WeakPolarHBondContact O-CG2 3.41Å; I606-T610 PolarHBondContact O-N 3.49Å; I606-T610 PolarHBondContact O-OG1 2.89Å; E607-T610 PolarHBondContact O-N 2.93Å; L608-T610 VanDerWaalsContact C-N 3.34Å; T610-H612 VanDerWaalsContact C-N 3.32Å; T610-H612 PolarHBondContact O-N 3.47Å; T610-L613 WeakPolarHBondContact O-CB 3.45Å; T610-L613 PolarHBondContact O-N 2.92Å; T610-T614 PolarHBondContact O-N 2.89Å; T610-T614 VanDerWaalsContact O-N 3.07Å; T610-L780 HydrophobicContact CG2-CD1 3.74Å; T610-L780 HydrophobicContact CG2-CD2 3.51Å; T610-L780 HydrophobicContact CG2-CG 4.25Å
611	L	85.5	Confident	84	Confident	85 Å²	85	43 Å²	43	45%	0.445	22%	0.223	S	C	.	.	H	α-helix	trans	-54	-44.7	-176.2	-174.8	151.7	0	0	0	113	E607 T614 S615	E607-L611 PolarHBondContact O-N 3.12Å; E607-L611 VanDerWaalsContact O-N 3.11Å; L611-T614 PolarHBondContact O-N 3.13Å; L611-T614 PolarHBondContact O-OG1 3.34Å; L611-S615 PolarHBondContact O-N 3.3Å; L611-S615 VanDerWaalsContact O-N 3.07Å; L611-S615 PolarHBondContact O-OG 3.21Å
612	H	85.2	Confident	84.6	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-34.5	179.2	62.7	-83.1	0	0	0	112.1	F453 L457 W493 I609 T610 S615 F616	F453-H612 AromaticContact CE1-CE1 3.43Å; F453-H612 VanDerWaalsContact CE1-CE1 3.43Å; F453-H612 WeakPolarHBondContact CE1-CE1 3.43Å; F453-H612 AromaticContact CE1-NE2 3.41Å; F453-H612 WeakPolarHBondContact CE1-NE2 3.32Å; L457-H612 WeakPolarHBondContact CD1-NE2 3.35Å; W493-H612 HydrophobicContact CB-CB 4.04Å; W493-H612 AromaticContact CD1-ND1 3.33Å; W493-H612 VanDerWaalsContact CD1-ND1 3.33Å; W493-H612 AromaticContact CD2-CE1 3.62Å; W493-H612 AromaticContact CD2-ND1 3.22Å; W493-H612 AromaticContact CE2-CE1 3.52Å; W493-H612 AromaticContact CE2-ND1 3.26Å; W493-H612 VanDerWaalsContact CE2-ND1 3.26Å; W493-H612 AromaticContact CE3-CE1 3.91Å; W493-H612 AromaticContact CE3-ND1 3.9Å; W493-H612 HydrophobicContact CG-CB 4.05Å; W493-H612 AromaticContact CG-CG 3.85Å; W493-H612 AromaticContact CG-ND1 3.29Å; W493-H612 VanDerWaalsContact CG-ND1 3.29Å; W493-H612 AromaticContact CZ2-CE1 3.78Å; W493-H612 AromaticContact CZ2-ND1 3.99Å; W493-H612 AromaticContact NE1-CE1 3.94Å; W493-H612 AromaticContact NE1-ND1 3.28Å; W493-H612 PolarHBondContact NE1-ND1 2.86Å; I609-H612 PolarHBondContact O-CE1 3.43Å; I609-H612 PolarHBondContact O-ND1 3.07Å; I609-H612 VanDerWaalsContact O-ND1 3.13Å; T610-H612 VanDerWaalsContact C-N 3.32Å; T610-H612 PolarHBondContact O-N 3.47Å; H612-S615 CarbonylContact O-C 3.56Å; H612-S615 WeakPolarHBondContact O-CA 3.34Å; H612-S615 WeakPolarHBondContact O-CB 3.3Å; H612-S615 PolarHBondContact O-N 2.8Å; H612-S615 VanDerWaalsContact O-N 3.13Å; H612-F616 HydrophobicContact CB-CE1 4.46Å; H612-F616 HydrophobicContact CB-CZ 4.28Å; H612-F616 AromaticContact CD2-CE2 3.79Å; H612-F616 WeakPolarHBondContact O-CD1 3.28Å; H612-F616 WeakPolarHBondContact O-CG 3.37Å; H612-F616 PolarHBondContact O-N 3.29Å
613	L	86.5	Confident	85.1	Confident	9 Å²	9	42 Å²	42	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-42.4	174.5	-67.9	178.3	0	0	0	111.8	F453 L457 T610 S615 F616 Y617 V776 L780	F453-L613 HydrophobicContact CZ-CD1 3.86Å; F453-L613 HydrophobicContact CZ-CG 4.48Å; L457-L613 HydrophobicContact CD1-CD2 4Å; L457-L613 HydrophobicContact CD2-CD2 3.8Å; T610-L613 WeakPolarHBondContact O-CB 3.45Å; T610-L613 PolarHBondContact O-N 2.92Å; L613-S615 PolarHBondContact O-N 2.83Å; L613-F616 HydrophobicContact CD2-CD2 4.17Å; L613-F616 PolarHBondContact O-N 3.49Å; L613-Y617 PolarHBondContact O-N 2.96Å; L613-V776 HydrophobicContact CD1-CG1 3.78Å; L613-V776 HydrophobicContact CD2-CG1 4.5Å; L613-L780 HydrophobicContact CB-CD1 4.27Å; L613-L780 HydrophobicContact CD1-CD1 3.92Å
614	T	85.6	Confident	85.3	Confident	28 Å²	28	41.6 Å²	41.6	17%	0.172	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-35.7	174.2	69.3	0	0	0	0	111.3	T610 L611 Y617 I618	T610-T614 PolarHBondContact O-N 2.89Å; T610-T614 VanDerWaalsContact O-N 3.07Å; L611-T614 PolarHBondContact O-N 3.13Å; L611-T614 PolarHBondContact O-OG1 3.34Å; T614-Y617 PolarHBondContact O-N 3.07Å; T614-I618 WeakPolarHBondContact O-CD1 3.42Å; T614-I618 WeakPolarHBondContact O-CG1 3.33Å; T614-I618 PolarHBondContact O-N 2.98Å
615	S	87.1	Confident	85.4	Confident	29 Å²	29	39.9 Å²	39.9	20%	0.203	20%	0.199	C	C	.	.	H	α-helix	trans	-67	-42.1	176.2	-54.4	0	0	0	0	111.1	L611 H612 L613 Y617 I618 Y619	L611-S615 PolarHBondContact O-N 3.3Å; L611-S615 VanDerWaalsContact O-N 3.07Å; L611-S615 PolarHBondContact O-OG 3.21Å; H612-S615 CarbonylContact O-C 3.56Å; H612-S615 WeakPolarHBondContact O-CA 3.34Å; H612-S615 WeakPolarHBondContact O-CB 3.3Å; H612-S615 PolarHBondContact O-N 2.8Å; H612-S615 VanDerWaalsContact O-N 3.13Å; L613-S615 PolarHBondContact O-N 2.83Å; S615-Y617 PolarHBondContact O-N 3.47Å; S615-I618 PolarHBondContact O-N 3.5Å; S615-Y619 WeakPolarHBondContact O-CD2 3.22Å; S615-Y619 PolarHBondContact O-N 3.49Å
616	F	89.1	Confident	85.9	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-44.3	175.8	-62.2	-12.2	0	0	0	112	F486 H489 H612 L613 I618 Y619 A620 F773	F486-F616 HydrophobicContact CB-CD1 4.47Å; F486-F616 HydrophobicContact CB-CE1 4.13Å; F486-F616 HydrophobicContact CB-CE2 4.27Å; F486-F616 HydrophobicContact CB-CZ 4.01Å; F486-F616 HydrophobicContact CD1-CB 4.18Å; F486-F616 AromaticContact CD1-CD1 3.32Å; F486-F616 HydrophobicContact CD1-CD1 3.32Å; F486-F616 HydrophobicContact CD1-CD2 4.39Å; F486-F616 AromaticContact CD1-CE1 3.7Å; F486-F616 HydrophobicContact CD1-CE1 3.7Å; F486-F616 AromaticContact CD1-CG 3.72Å; F486-F616 HydrophobicContact CD1-CG 3.72Å; F486-F616 HydrophobicContact CD1-CZ 4.37Å; F486-F616 HydrophobicContact CE1-CB 4.05Å; F486-F616 AromaticContact CE1-CD1 3.87Å; F486-F616 HydrophobicContact CE1-CD1 3.87Å; F486-F616 HydrophobicContact CE1-CG 4.1Å; F486-F616 HydrophobicContact CG-CD1 4.18Å; F486-F616 HydrophobicContact CG-CE1 4.32Å; F486-F616 HydrophobicContact CG-CG 4.33Å; F486-F616 WeakPolarHBondContact O-CZ 3.36Å; H489-F616 HydrophobicContact CB-CE1 3.48Å; H489-F616 VanDerWaalsContact CB-CE1 3.48Å; H489-F616 HydrophobicContact CB-CZ 3.99Å; H612-F616 HydrophobicContact CB-CE1 4.46Å; H612-F616 HydrophobicContact CB-CZ 4.28Å; H612-F616 AromaticContact CD2-CE2 3.79Å; H612-F616 WeakPolarHBondContact O-CD1 3.28Å; H612-F616 WeakPolarHBondContact O-CG 3.37Å; H612-F616 PolarHBondContact O-N 3.29Å; L613-F616 HydrophobicContact CD2-CD2 4.17Å; L613-F616 PolarHBondContact O-N 3.49Å; F616-I618 PolarHBondContact O-N 2.8Å; F616-Y619 HydrophobicContact CD1-CD2 4.47Å; F616-Y619 PolarHBondContact O-N 2.84Å; F616-A620 WeakPolarHBondContact O-CB 3.33Å; F616-A620 PolarHBondContact O-N 3.03Å; F616-F773 HydrophobicContact CB-CD1 3.88Å; F616-F773 HydrophobicContact CB-CD2 4.01Å; F616-F773 HydrophobicContact CB-CE1 3.87Å; F616-F773 HydrophobicContact CB-CE2 3.96Å; F616-F773 HydrophobicContact CB-CG 3.97Å; F616-F773 HydrophobicContact CB-CZ 3.9Å; F616-F773 HydrophobicContact CD2-CD1 4.32Å; F616-F773 AromaticContact CD2-CE1 3.64Å; F616-F773 HydrophobicContact CD2-CE1 3.64Å; F616-F773 AromaticContact CD2-CZ 3.85Å; F616-F773 HydrophobicContact CD2-CZ 3.85Å; F616-F773 HydrophobicContact CG-CE1 4.19Å; F616-F773 HydrophobicContact CG-CZ 4.18Å
617	Y	88.7	Confident	86	Confident	10 Å²	10	41.1 Å²	41.1	4%	0.039	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-46.1	173.2	167.9	-103.4	0	0	0	111.9	L613 T614 S615 A620 T621 Y770 T774 Q777 I875	L613-Y617 PolarHBondContact O-N 2.96Å; T614-Y617 PolarHBondContact O-N 3.07Å; S615-Y617 PolarHBondContact O-N 3.47Å; Y617-A620 PolarHBondContact O-N 3.49Å; Y617-T621 VanDerWaalsContact O-CB 3.31Å; Y617-T621 WeakPolarHBondContact O-CB 3.42Å; Y617-T621 PolarHBondContact O-N 3.08Å; Y617-T621 PolarHBondContact O-OG1 3.5Å; Y617-Y770 HydrophobicContact CE2-CE2 4.05Å; Y617-T774 HydrophobicContact CE2-CG2 4.37Å; Y617-T774 WeakPolarHBondContact CE2-OG1 3.26Å; Y617-Q777 HydrophobicContact CD1-CG 4.11Å; Y617-Q777 HydrophobicContact CD2-CB 4.27Å; Y617-Q777 HydrophobicContact CD2-CG 4.48Å; Y617-Q777 HydrophobicContact CE1-CG 4.46Å; Y617-Q777 HydrophobicContact CG-CB 4.19Å; Y617-Q777 HydrophobicContact CG-CG 4.12Å; Y617-I875 VanDerWaalsContact OH-CD1 3.23Å; Y617-I875 WeakPolarHBondContact OH-CD1 3.41Å; Y617-I875 WeakPolarHBondContact OH-CG1 3.41Å
618	I	87.4	Confident	86.1	Confident	39 Å²	39	39.2 Å²	39.2	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-45.2	177.9	-70.2	163.4	0	0	0	110.8	T614 S615 F616 T621 H622	T614-I618 WeakPolarHBondContact O-CD1 3.42Å; T614-I618 WeakPolarHBondContact O-CG1 3.33Å; T614-I618 PolarHBondContact O-N 2.98Å; S615-I618 PolarHBondContact O-N 3.5Å; F616-I618 PolarHBondContact O-N 2.8Å; I618-T621 PolarHBondContact O-N 3.13Å; I618-H622 VanDerWaalsContact CG2-CD2 3.48Å; I618-H622 WeakPolarHBondContact CG2-CD2 3.26Å; I618-H622 PolarHBondContact O-CD2 3.36Å; I618-H622 PolarHBondContact O-N 3.31Å
619	Y	89	Confident	86.2	Confident	92 Å²	92	44 Å²	44	36%	0.361	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-46.1	177.8	-63.3	-39.5	0	0	0	112.3	F485 F486 H489 S615 F616 T621 H622 L623	F485-Y619 AromaticContact CE1-CD2 3.58Å; F485-Y619 HydrophobicContact CE1-CD2 3.58Å; F485-Y619 AromaticContact CE1-CE2 3.97Å; F485-Y619 HydrophobicContact CE1-CE2 3.97Å; F485-Y619 HydrophobicContact CE1-CG 4.01Å; F485-Y619 HydrophobicContact CZ-CD2 4.06Å; F485-Y619 HydrophobicContact CZ-CE2 4.08Å; F485-Y619 HydrophobicContact CZ-CG 4.38Å; F486-Y619 HydrophobicContact CE1-CD2 4.28Å; H489-Y619 AromaticContact CD2-CE2 3.82Å; H489-Y619 AromaticContact NE2-CE2 3.59Å; H489-Y619 AromaticContact NE2-CZ 3.86Å; H489-Y619 PolarHBondContact NE2-OH 3.38Å; S615-Y619 WeakPolarHBondContact O-CD2 3.22Å; S615-Y619 PolarHBondContact O-N 3.49Å; F616-Y619 HydrophobicContact CD1-CD2 4.47Å; F616-Y619 PolarHBondContact O-N 2.84Å; Y619-T621 VanDerWaalsContact C-N 3.32Å; Y619-T621 PolarHBondContact O-N 3.13Å; Y619-H622 PolarHBondContact O-N 2.87Å; Y619-L623 VanDerWaalsContact O-CB 3.31Å; Y619-L623 WeakPolarHBondContact O-CB 3.44Å; Y619-L623 PolarHBondContact O-N 2.94Å
620	A	87.3	Confident	86.3	Confident	4 Å²	4	44.6 Å²	44.6	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-41.3	176.5	0	0	0	0	0	111.6	F616 Y617 L623 L624 F773	F616-A620 WeakPolarHBondContact O-CB 3.33Å; F616-A620 PolarHBondContact O-N 3.03Å; Y617-A620 PolarHBondContact O-N 3.49Å; A620-L623 PolarHBondContact O-N 3.33Å; A620-L624 VanDerWaalsContact O-CB 3.31Å; A620-L624 WeakPolarHBondContact O-CB 3.4Å; A620-L624 PolarHBondContact O-N 2.88Å; A620-F773 HydrophobicContact CB-CD2 4.3Å
621	T	87.3	Confident	86.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-47.7	176.7	-57.9	0	0	0	0	111.6	Y617 I618 Y619 L623 L624 R625 Y770 A872	Y617-T621 VanDerWaalsContact O-CB 3.31Å; Y617-T621 WeakPolarHBondContact O-CB 3.42Å; Y617-T621 PolarHBondContact O-N 3.08Å; Y617-T621 PolarHBondContact O-OG1 3.5Å; I618-T621 PolarHBondContact O-N 3.13Å; Y619-T621 VanDerWaalsContact C-N 3.32Å; Y619-T621 PolarHBondContact O-N 3.13Å; T621-L623 PolarHBondContact O-N 3.32Å; T621-L624 PolarHBondContact O-N 2.99Å; T621-R625 WeakPolarHBondContact O-CB 3.36Å; T621-R625 WeakPolarHBondContact O-CG 3.08Å; T621-R625 PolarHBondContact O-N 3.23Å; T621-Y770 HydrophobicContact CG2-CE2 4.37Å; T621-Y770 WeakPolarHBondContact OG1-CE2 3.45Å; T621-A872 HydrophobicContact CG2-CB 4.2Å; T621-A872 WeakPolarHBondContact CG2-O 3.43Å
622	H	88	Confident	86	Confident	97 Å²	97	44.1 Å²	44.1	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-64.5	-40.6	177.9	-82.8	-67.2	0	0	0	112.5	I618 Y619 R625 L626	I618-H622 VanDerWaalsContact CG2-CD2 3.48Å; I618-H622 WeakPolarHBondContact CG2-CD2 3.26Å; I618-H622 PolarHBondContact O-CD2 3.36Å; I618-H622 PolarHBondContact O-N 3.31Å; Y619-H622 PolarHBondContact O-N 2.87Å; H622-R625 PolarHBondContact O-N 3.43Å; H622-L626 WeakPolarHBondContact O-CB 3.18Å; H622-L626 PolarHBondContact O-N 2.99Å
623	L	87.4	Confident	85.5	Confident	40 Å²	40	46.8 Å²	46.8	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-46.1	176.1	-175.3	72.5	0	0	0	111	M482 Y619 A620 T621 R625 L626 Q627 T766	M482-L623 HydrophobicContact CE-CD1 4.07Å; M482-L623 HydrophobicContact CE-CD2 3.25Å; M482-L623 HydrophobicContact CE-CG 4.28Å; M482-L623 HydrophobicContact SD-CD2 3.77Å; Y619-L623 VanDerWaalsContact O-CB 3.31Å; Y619-L623 WeakPolarHBondContact O-CB 3.44Å; Y619-L623 PolarHBondContact O-N 2.94Å; A620-L623 PolarHBondContact O-N 3.33Å; T621-L623 PolarHBondContact O-N 3.32Å; L623-R625 PolarHBondContact O-N 3.02Å; L623-L626 WeakPolarHBondContact O-CB 3.38Å; L623-L626 PolarHBondContact O-N 3.28Å; L623-Q627 WeakPolarHBondContact O-CG 3.48Å; L623-Q627 PolarHBondContact O-N 3.2Å; L623-T766 HydrophobicContact CD2-CG2 3.53Å; L623-T766 HydrophobicContact CG-CG2 4.07Å
624	L	87.1	Confident	85	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-45.1	176.2	-175.2	68.1	0	0	0	111.2	A620 T621 L626 Q627 L628 F763 I767 Y770 A872	A620-L624 VanDerWaalsContact O-CB 3.31Å; A620-L624 WeakPolarHBondContact O-CB 3.4Å; A620-L624 PolarHBondContact O-N 2.88Å; T621-L624 PolarHBondContact O-N 2.99Å; L624-L626 VanDerWaalsContact C-N 3.32Å; L624-L626 PolarHBondContact O-N 2.92Å; L624-Q627 PolarHBondContact O-N 2.87Å; L624-L628 HydrophobicContact CG-CD1 4.23Å; L624-L628 WeakPolarHBondContact O-CB 3.4Å; L624-L628 WeakPolarHBondContact O-CG 3.12Å; L624-L628 PolarHBondContact O-N 3.47Å; L624-F763 HydrophobicContact CD1-CD2 4.08Å; L624-F763 HydrophobicContact CD1-CE2 3.51Å; L624-F763 HydrophobicContact CD1-CZ 4.31Å; L624-I767 HydrophobicContact CD1-CG1 3.97Å; L624-Y770 HydrophobicContact CD2-CD1 3.67Å; L624-Y770 HydrophobicContact CD2-CD2 3.99Å; L624-Y770 HydrophobicContact CD2-CE1 3.94Å; L624-Y770 HydrophobicContact CD2-CE2 4.26Å; L624-Y770 HydrophobicContact CD2-CG 3.68Å; L624-A872 HydrophobicContact CD2-CB 4.05Å
625	R	85.8	Confident	84.6	Confident	58 Å²	58	52.9 Å²	52.9	22%	0.219	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-42.1	174.5	-76.5	-174	-170.2	147.1	27.2	112.2	T621 H622 L623 K629 A872 Q873 D874	T621-R625 WeakPolarHBondContact O-CB 3.36Å; T621-R625 WeakPolarHBondContact O-CG 3.08Å; T621-R625 PolarHBondContact O-N 3.23Å; H622-R625 PolarHBondContact O-N 3.43Å; L623-R625 PolarHBondContact O-N 3.02Å; R625-K629 WeakPolarHBondContact O-CG 3.21Å; R625-K629 PolarHBondContact O-N 3.27Å; R625-A872 HydrophobicContact CG-CB 4.01Å; R625-A872 PolarHBondContact NE-O 2.85Å; R625-A872 PolarHBondContact NH2-O 3.24Å; R625-Q873 VanDerWaalsContact NH2-C 3.27Å; R625-D874 IonicContact CZ-OD1 2.92Å; R625-D874 IonicContact NH1-OD1 2.8Å; R625-D874 IonicContact NH2-OD1 2.75Å; R625-D874 PolarHBondContact NH2-OD1 3.17Å
626	L	85.6	Confident	83.9	Confident	107 Å²	107	56.9 Å²	56.9	56%	0.56	28%	0.283	S	S	*	.	H	α-helix	trans	-63.2	-47.4	177.9	-175.1	72.4	0	0	0	110.1	H622 L623 L624 L628 K629 T630	H622-L626 WeakPolarHBondContact O-CB 3.18Å; H622-L626 PolarHBondContact O-N 2.99Å; L623-L626 WeakPolarHBondContact O-CB 3.38Å; L623-L626 PolarHBondContact O-N 3.28Å; L624-L626 VanDerWaalsContact C-N 3.32Å; L624-L626 PolarHBondContact O-N 2.92Å; L626-L628 PolarHBondContact O-N 2.89Å; L626-K629 PolarHBondContact O-N 3.26Å; L626-T630 WeakPolarHBondContact O-CG2 3.42Å; L626-T630 PolarHBondContact O-N 3.43Å; L626-T630 PolarHBondContact O-OG1 3.48Å
627	Q	85.7	Confident	83	Confident	21 Å²	21	58.9 Å²	58.9	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-40.5	178.3	-72.4	-167.9	-5.8	0	0	112.8	L623 L624 K629 T630 I631 T766	L623-Q627 WeakPolarHBondContact O-CG 3.48Å; L623-Q627 PolarHBondContact O-N 3.2Å; L624-Q627 PolarHBondContact O-N 2.87Å; Q627-K629 VanDerWaalsContact C-N 3.33Å; Q627-K629 PolarHBondContact O-N 3.1Å; Q627-T630 VanDerWaalsContact CA-OG1 3.31Å; Q627-T630 WeakPolarHBondContact CA-OG1 3.35Å; Q627-T630 PolarHBondContact O-N 2.87Å; Q627-T630 PolarHBondContact O-OG1 2.93Å; Q627-I631 WeakPolarHBondContact O-CB 3.34Å; Q627-I631 WeakPolarHBondContact O-CG1 3.19Å; Q627-I631 PolarHBondContact O-N 3.36Å; Q627-T766 PolarHBondContact OE1-OG1 3.34Å
628	L	84.9	Confident	82.1	Confident	70 Å²	70	61.2 Å²	61.2	37%	0.366	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-40.2	174.3	-74.2	171.7	0	0	0	111.8	L624 L626 A632 F763	L624-L628 HydrophobicContact CG-CD1 4.23Å; L624-L628 WeakPolarHBondContact O-CB 3.4Å; L624-L628 WeakPolarHBondContact O-CG 3.12Å; L624-L628 PolarHBondContact O-N 3.47Å; L626-L628 PolarHBondContact O-N 2.89Å; L628-A632 WeakPolarHBondContact O-CB 3.39Å; L628-A632 PolarHBondContact O-N 2.95Å; L628-F763 HydrophobicContact CD2-CE2 3.65Å; L628-F763 HydrophobicContact CD2-CZ 3.78Å; L628-F763 HydrophobicContact CG-CE2 4.1Å
629	K	83.5	Confident	81.3	Confident	154 Å²	154	68 Å²	68	67%	0.67	33%	0.334	S	S	*	.	H	α-helix	trans	-66.1	-40.8	174.9	-74.2	177.4	-179.4	-177.9	0	112.2	R625 L626 Q627 A633	R625-K629 WeakPolarHBondContact O-CG 3.21Å; R625-K629 PolarHBondContact O-N 3.27Å; L626-K629 PolarHBondContact O-N 3.26Å; Q627-K629 VanDerWaalsContact C-N 3.33Å; Q627-K629 PolarHBondContact O-N 3.1Å; K629-A633 WeakPolarHBondContact O-CB 3.28Å; K629-A633 PolarHBondContact O-N 3.03Å
630	T	80.4	Confident	80	Confident	68 Å²	68	68.1 Å²	68.1	42%	0.417	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-43.6	176.8	54.1	0	0	0	0	111.3	L626 Q627 A633 S634	L626-T630 WeakPolarHBondContact O-CG2 3.42Å; L626-T630 PolarHBondContact O-N 3.43Å; L626-T630 PolarHBondContact O-OG1 3.48Å; Q627-T630 VanDerWaalsContact CA-OG1 3.31Å; Q627-T630 WeakPolarHBondContact CA-OG1 3.35Å; Q627-T630 PolarHBondContact O-N 2.87Å; Q627-T630 PolarHBondContact O-OG1 2.93Å; T630-A633 PolarHBondContact O-N 3.41Å; T630-S634 WeakPolarHBondContact O-CB 3.29Å; T630-S634 PolarHBondContact O-N 2.96Å; T630-S634 PolarHBondContact O-OG 3.34Å; T630-S634 VanDerWaalsContact O-OG 3.14Å
631	I	83.3	Confident	78.9	Confident	25 Å²	25	71.2 Å²	71.2	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-64.5	-43.7	176.8	-67.3	164.5	0	0	0	110.2	Q627 A633 S634 W635 L760 F763	Q627-I631 WeakPolarHBondContact O-CB 3.34Å; Q627-I631 WeakPolarHBondContact O-CG1 3.19Å; Q627-I631 PolarHBondContact O-N 3.36Å; I631-A633 PolarHBondContact O-N 2.85Å; I631-S634 PolarHBondContact O-N 3.06Å; I631-W635 WeakPolarHBondContact O-CB 3.21Å; I631-W635 PolarHBondContact O-N 3.44Å; I631-L760 HydrophobicContact CD1-CD2 4.42Å; I631-F763 HydrophobicContact CD1-CB 4.24Å; I631-F763 HydrophobicContact CD1-CD2 3.9Å; I631-F763 HydrophobicContact CD1-CE2 4.43Å; I631-F763 HydrophobicContact CD1-CG 4.12Å
632	A	80.6	Confident	77.9	Confident	59 Å²	59	71.4 Å²	71.4	49%	0.488	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-39.6	177.6	0	0	0	0	0	112.5	L628 R636	L628-A632 WeakPolarHBondContact O-CB 3.39Å; L628-A632 PolarHBondContact O-N 2.95Å; A632-R636 WeakPolarHBondContact O-CB 3.43Å; A632-R636 PolarHBondContact O-N 3.34Å
633	A	74.3	Confident	76.9	Confident	61 Å²	61	73.7 Å²	73.7	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-66.1	-45.7	174.9	0	0	0	0	0	111.7	K629 T630 I631 R636 L637	K629-A633 WeakPolarHBondContact O-CB 3.28Å; K629-A633 PolarHBondContact O-N 3.03Å; T630-A633 PolarHBondContact O-N 3.41Å; I631-A633 PolarHBondContact O-N 2.85Å; A633-R636 PolarHBondContact O-N 3.23Å; A633-L637 WeakPolarHBondContact O-CB 3.34Å; A633-L637 PolarHBondContact O-N 3Å
634	S	77.4	Confident	76	Confident	25 Å²	25	77.7 Å²	77.7	18%	0.175	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-40.6	176.4	-65.4	0	0	0	0	112.3	T630 I631 L637 C638 T752	T630-S634 WeakPolarHBondContact O-CB 3.29Å; T630-S634 PolarHBondContact O-N 2.96Å; T630-S634 PolarHBondContact O-OG 3.34Å; T630-S634 VanDerWaalsContact O-OG 3.14Å; I631-S634 PolarHBondContact O-N 3.06Å; S634-L637 PolarHBondContact O-N 3.22Å; S634-C638 WeakPolarHBondContact O-CB 3.19Å; S634-C638 PolarHBondContact O-N 3.2Å; S634-T752 WeakPolarHBondContact O-CG2 3.46Å
635	W	76.3	Confident	75.3	Confident	140 Å²	140	78.9 Å²	78.9	53%	0.53	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-43.7	176.7	-179.9	-107.1	0	0	0	111.9	I631 L637 C638 R639 L756	I631-W635 WeakPolarHBondContact O-CB 3.21Å; I631-W635 PolarHBondContact O-N 3.44Å; W635-L637 VanDerWaalsContact C-N 3.3Å; W635-L637 PolarHBondContact O-N 3.16Å; W635-C638 PolarHBondContact O-N 3.36Å; W635-R639 PolarHBondContact O-N 3.23Å; W635-L756 HydrophobicContact CB-CD1 4.06Å; W635-L756 HydrophobicContact CE3-CD1 3.73Å
636	R	72.2	Confident	74.6	Confident	113 Å²	113	80.8 Å²	80.8	43%	0.426	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-39.8	175.5	178.7	177.6	-88.2	164.6	-7.3	111.7	A632 A633 N640	A632-R636 WeakPolarHBondContact O-CB 3.43Å; A632-R636 PolarHBondContact O-N 3.34Å; A633-R636 PolarHBondContact O-N 3.23Å; R636-N640 PolarHBondContact O-N 3.44Å
637	L	70.3	Confident	74	Confident	42 Å²	42	83.4 Å²	83.4	22%	0.22	42%	0.424	C	S	.	.	H	α-helix	trans	-67.3	-40	177.2	-173.3	61.9	0	0	0	111.4	A633 S634 W635 S641 I654 L748 T752	A633-L637 WeakPolarHBondContact O-CB 3.34Å; A633-L637 PolarHBondContact O-N 3Å; S634-L637 PolarHBondContact O-N 3.22Å; W635-L637 VanDerWaalsContact C-N 3.3Å; W635-L637 PolarHBondContact O-N 3.16Å; L637-S641 PolarHBondContact O-N 3.09Å; L637-I654 HydrophobicContact CD1-CD1 4.43Å; L637-L748 HydrophobicContact CD1-CD2 4.46Å; L637-L748 HydrophobicContact CD2-CD1 4.14Å; L637-L748 HydrophobicContact CD2-CG 4.31Å; L637-T752 HydrophobicContact CB-CG2 3.8Å; L637-T752 HydrophobicContact CD2-CG2 3.87Å; L637-T752 WeakPolarHBondContact CD2-OG1 3.49Å; L637-T752 HydrophobicContact CG-CG2 3.92Å
638	C	70.4	Confident	73.3	Confident	60 Å²	60	90.2 Å²	90.2	41%	0.405	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-40.1	179.1	-172.1	0	0	0	0	113.5	S634 W635 T752	S634-C638 WeakPolarHBondContact O-CB 3.19Å; S634-C638 PolarHBondContact O-N 3.2Å; W635-C638 PolarHBondContact O-N 3.36Å; C638-T752 HydrophobicContact CB-CG2 4.12Å
639	R	70.1	Confident	72.7	Confident	182 Å²	182	92.8 Å²	92.8	69%	0.687	46%	0.463	S	S	*	.	H	α-helix	trans	-88.8	-33.6	-172.1	-169.3	-177.7	178.1	115.7	-1.4	113.9	W635	W635-R639 PolarHBondContact O-N 3.23Å
640	N	61.5	Low	72.4	Confident	93 Å²	93	91.4 Å²	91.4	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-125.7	7.1	-166.3	-71.9	86.2	0	0	0	113.6	R636 S642	R636-N640 PolarHBondContact O-N 3.44Å; N640-S642 WeakPolarHBondContact O-CB 3.46Å; N640-S642 PolarHBondContact O-N 3.1Å
641	S	64.7	Low	71.9	Confident	69 Å²	69	91 Å²	91	48%	0.483	45%	0.451	S	S	.	.			trans	42	41.8	-172.2	-64.7	0	0	0	0	111.4	L637 I654	L637-S641 PolarHBondContact O-N 3.09Å; S641-I654 WeakPolarHBondContact O-CB 3.41Å; S641-I654 WeakPolarHBondContact O-CD1 3.13Å; S641-I654 WeakPolarHBondContact O-CG1 3.42Å; S641-I654 PolarHBondContact O-N 3.16Å
642	S	65.8	Low	71.1	Confident	5 Å²	5	91.6 Å²	91.6	4%	0.035	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.4	-166.6	-174.2	0	0	0	0	111	N640 V651 D652	N640-S642 WeakPolarHBondContact O-CB 3.46Å; N640-S642 PolarHBondContact O-N 3.1Å; S642-V651 WeakPolarHBondContact OG-CG1 3.44Å; S642-D652 CarbonylContact C-O 3.58Å; S642-D652 WeakPolarHBondContact CA-O 3.38Å; S642-D652 WeakPolarHBondContact CB-O 3.34Å; S642-D652 PolarHBondContact OG-O 3.45Å
643	K	67.3	Low	70.4	Confident	145 Å²	145	96.9 Å²	96.9	63%	0.63	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.3	-175.5	-174	177.3	177	-179.4	0	109.6	N645 D652	K643-N645 PolarHBondContact O-N 3.25Å; K643-D652 PolarHBondContact N-O 3.31Å; K643-D652 PolarHBondContact O-N 3.21Å
644	W	68.6	Low	69.9	Low	124 Å²	124	97.6 Å²	97.6	47%	0.47	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124	169.6	-177.3	-101.2	0	0	0	109.3	P646 N649 V651	W644-P646 VanDerWaalsContact O-CD 3.29Å; W644-P646 WeakPolarHBondContact O-CD 3.28Å; W644-N649 VanDerWaalsContact CH2-O 3.27Å; W644-N649 WeakPolarHBondContact CH2-O 3.29Å; W644-N649 HydrophobicContact CZ2-CB 4.45Å; W644-V651 HydrophobicContact CE3-CG2 3.51Å; W644-V651 HydrophobicContact CZ3-CG2 3.7Å
645	N	72.3	Confident	68.7	Low	35 Å²	35	101.1 Å²	101.1	19%	0.187	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	103.9	176.7	-173.6	-10.1	0	0	0	109.7	K643 L647 R648 N649 R650 D652	K643-N645 PolarHBondContact O-N 3.25Å; N645-L647 PolarHBondContact O-N 2.76Å; N645-L647 WeakPolarHBondContact OD1-CB 3.39Å; N645-L647 PolarHBondContact OD1-N 3.49Å; N645-R648 HydrophobicContact CB-CB 4.41Å; N645-R648 PolarHBondContact O-N 3.4Å; N645-R648 VanDerWaalsContact O-N 3.17Å; N645-N649 PolarHBondContact O-N 3.12Å; N645-R650 PolarHBondContact N-O 3.42Å; N645-D652 WeakPolarHBondContact CB-OD2 3.2Å; N645-D652 PolarHBondContact ND2-OD2 3.18Å
646	P	71.5	Confident	67	Low	99 Å²	99	101.8 Å²	101.8	64%	0.643	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.2	-179.4	26.5	-33.8	0	0	0	112.8	W644	W644-P646 VanDerWaalsContact O-CD 3.29Å; W644-P646 WeakPolarHBondContact O-CD 3.28Å
647	L	72.1	Confident	65.4	Low	162 Å²	162	103.8 Å²	103.8	85%	0.848	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-29.5	177.5	-66.5	169.1	0	0	0	112.7	N645	N645-L647 PolarHBondContact O-N 2.76Å; N645-L647 WeakPolarHBondContact OD1-CB 3.39Å; N645-L647 PolarHBondContact OD1-N 3.49Å
648	R	72.8	Confident	64.1	Low	163 Å²	163	110.8 Å²	110.8	62%	0.615	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	1.3	-176.1	-66.9	-174.5	178.7	-157.6	-2.9	113.8	N645 R650	N645-R648 HydrophobicContact CB-CB 4.41Å; N645-R648 PolarHBondContact O-N 3.4Å; N645-R648 VanDerWaalsContact O-N 3.17Å; R648-R650 HydrophobicContact CB-CG 3.79Å; R648-R650 PolarHBondContact O-N 3.43Å
649	N	72.4	Confident	62.3	Low	125 Å²	125	114 Å²	114	67%	0.668	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	47	33.1	-177.3	-113	9.5	0	0	0	113.7	W644 N645	W644-N649 VanDerWaalsContact CH2-O 3.27Å; W644-N649 WeakPolarHBondContact CH2-O 3.29Å; W644-N649 HydrophobicContact CZ2-CB 4.45Å; N645-N649 PolarHBondContact O-N 3.12Å
650	R	77	Confident	60.8	Low	124 Å²	124	109.6 Å²	109.6	47%	0.468	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.7	-176.8	75.7	-175.3	-167.6	163.8	9.3	110.8	N645 R648 D652	N645-R650 PolarHBondContact N-O 3.42Å; R648-R650 HydrophobicContact CB-CG 3.79Å; R648-R650 PolarHBondContact O-N 3.43Å; R650-D652 IonicContact CZ-OD1 3.16Å; R650-D652 IonicContact NE-OD1 2.72Å; R650-D652 PolarHBondContact NE-OD1 3.4Å; R650-D652 IonicContact NH2-OD1 2.88Å; R650-D652 PolarHBondContact NH2-OD1 3.49Å
651	V	69.8	Low	59.9	Low	60 Å²	60	109.4 Å²	109.4	36%	0.364	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89	106.6	177.2	175.8	0	0	0	0	107.6	S642 W644	S642-V651 WeakPolarHBondContact OG-CG1 3.44Å; W644-V651 HydrophobicContact CE3-CG2 3.51Å; W644-V651 HydrophobicContact CZ3-CG2 3.7Å
652	D	67	Low	58.8	Low	37 Å²	37	111.4 Å²	111.4	20%	0.198	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.6	131	179.1	-74	-37.4	0	0	0	109.2	S642 K643 N645 R650	S642-D652 CarbonylContact C-O 3.58Å; S642-D652 WeakPolarHBondContact CA-O 3.38Å; S642-D652 WeakPolarHBondContact CB-O 3.34Å; S642-D652 PolarHBondContact OG-O 3.45Å; K643-D652 PolarHBondContact N-O 3.31Å; K643-D652 PolarHBondContact O-N 3.21Å; N645-D652 WeakPolarHBondContact CB-OD2 3.2Å; N645-D652 PolarHBondContact ND2-OD2 3.18Å; R650-D652 IonicContact CZ-OD1 3.16Å; R650-D652 IonicContact NE-OD1 2.72Å; R650-D652 PolarHBondContact NE-OD1 3.4Å; R650-D652 IonicContact NH2-OD1 2.88Å; R650-D652 PolarHBondContact NH2-OD1 3.49Å
653	K	65.3	Low	57.9	Low	170 Å²	170	117 Å²	117	74%	0.739	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.3	135.2	163.6	-66.4	-176.4	-178.8	-178.4	0	107.5	P655	K653-P655 WeakPolarHBondContact O-CD 3.47Å
654	I	62.7	Low	56.5	Low	76 Å²	76	117.2 Å²	117.2	39%	0.39	58%	0.584	S	S	.	*			trans	-67.2	113.1	168.6	-62.9	163.3	0	0	0	105.9	L637 S641	L637-I654 HydrophobicContact CD1-CD1 4.43Å; S641-I654 WeakPolarHBondContact O-CB 3.41Å; S641-I654 WeakPolarHBondContact O-CD1 3.13Å; S641-I654 WeakPolarHBondContact O-CG1 3.42Å; S641-I654 PolarHBondContact O-N 3.16Å
655	P	52.3	Low	55.2	Low	99 Å²	99	118.4 Å²	118.4	64%	0.643	59%	0.592	S	S	*	*			trans	-67.3	145.4	178.5	27.4	-31.4	0	0	0	110	K653 M657	K653-P655 WeakPolarHBondContact O-CD 3.47Å; P655-M657 PolarHBondContact O-N 2.87Å
656	D	41.7	Very low	53.9	Low	155 Å²	155	122.8 Å²	122.8	83%	0.829	62%	0.615	S	S	*	*			trans	-61.3	69.4	170.6	-60.5	-44.2	0	0	0	110.6	Y658	D656-Y658 PolarHBondContact O-N 3.32Å
657	M	39	Very low	52.5	Low	154 Å²	154	120.5 Å²	120.5	76%	0.759	60%	0.602	S	S	*	*			trans	-75.2	98	176.3	-155	171.9	113.8	0	0	106.9	P655	P655-M657 PolarHBondContact O-N 2.87Å
658	Y	41.2	Very low	51.6	Low	190 Å²	190	115.9 Å²	115.9	75%	0.745	58%	0.58	S	S	*	*			trans	105.9	72.2	175.6	-68.1	-84	0	0	0	117.6	D656	D656-Y658 PolarHBondContact O-N 3.32Å
659	V	33.2	Very low	50.1	Low	126 Å²	126	112.6 Å²	112.6	76%	0.764	58%	0.575	S	S	*	*			trans	-68.7	107.3	136.9	175.4	0	0	0	0	107.7
660	D	38.1	Very low	49.2	Very low	90 Å²	90	109.6 Å²	109.6	48%	0.481	56%	0.563	S	S	.	*			trans	-163.4	81.2	134.3	-143.7	-12.1	0	0	0	110.5	N662	D660-N662 PolarHBondContact O-N 3.16Å; D660-N662 VanDerWaalsContact O-N 3.08Å
661	S	42.4	Very low	47.4	Very low	90 Å²	90	108.5 Å²	108.5	63%	0.629	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-2.7	174.8	47.2	0	0	0	0	113.5
662	N	41.9	Very low	46.2	Very low	110 Å²	110	111.8 Å²	111.8	59%	0.588	58%	0.578	S	S	*	*	H	α-helix	trans	-95.6	-19.6	-173.8	-62.4	-23.3	0	0	0	113.9	D660	D660-N662 PolarHBondContact O-N 3.16Å; D660-N662 VanDerWaalsContact O-N 3.08Å
663	E	46.6	Very low	45.1	Very low	123 Å²	123	117.1 Å²	117.1	58%	0.575	60%	0.599	S	S	*	*	H	α-helix	trans	-78.9	-22.1	173.5	-90.2	-163.3	150	0	0	113.6	S667	E663-S667 WeakPolarHBondContact O-CB 3.48Å; E663-S667 PolarHBondContact O-N 2.9Å; E663-S667 VanDerWaalsContact O-N 3.16Å; E663-S667 PolarHBondContact O-OG 3.49Å
664	F	39.5	Very low	44.1	Very low	149 Å²	149	116.6 Å²	116.6	65%	0.654	60%	0.597	S	S	*	*	H	α-helix	trans	-73	-37.3	-179.6	-163.5	-99.8	0	0	0	112.1	S667 V668	F664-S667 PolarHBondContact O-OG 3.2Å; F664-V668 HydrophobicContact CD1-CG2 4.39Å; F664-V668 HydrophobicContact CE1-CG2 4.2Å; F664-V668 HydrophobicContact CZ-CG2 4.5Å; F664-V668 VanDerWaalsContact O-CG2 3.26Å; F664-V668 WeakPolarHBondContact O-CG2 3.35Å; F664-V668 PolarHBondContact O-N 3.21Å
665	F	40.9	Very low	43.2	Very low	149 Å²	149	118.5 Å²	118.5	65%	0.654	61%	0.607	S	S	*	*	H	α-helix	trans	-73.3	-28.1	176.9	-85.7	-82.7	0	0	0	113.4	N669	F665-N669 WeakPolarHBondContact O-CB 3.37Å; F665-N669 PolarHBondContact O-N 2.86Å; F665-N669 PolarHBondContact O-ND2 3.34Å
666	L	44.2	Very low	42.7	Very low	127 Å²	127	117.6 Å²	117.6	67%	0.665	60%	0.603	S	S	*	*	H	α-helix	trans	-81.4	-31.7	177.7	-71.7	169.5	0	0	0	113	S670	L666-S670 WeakPolarHBondContact O-CB 3.02Å; L666-S670 PolarHBondContact O-N 2.94Å; L666-S670 VanDerWaalsContact O-N 3.17Å; L666-S670 PolarHBondContact O-OG 3.42Å
667	S	43.3	Very low	42.8	Very low	52 Å²	52	116.5 Å²	116.5	36%	0.364	60%	0.596	S	S	.	*	H	α-helix	trans	-75.2	-34.8	174.9	52	0	0	0	0	112.9	E663 F664 S670 L671	E663-S667 WeakPolarHBondContact O-CB 3.48Å; E663-S667 PolarHBondContact O-N 2.9Å; E663-S667 VanDerWaalsContact O-N 3.16Å; E663-S667 PolarHBondContact O-OG 3.49Å; F664-S667 PolarHBondContact O-OG 3.2Å; S667-S670 WeakPolarHBondContact CA-OG 3.08Å; S667-S670 PolarHBondContact O-OG 3.42Å; S667-S670 VanDerWaalsContact O-OG 3.05Å; S667-L671 WeakPolarHBondContact O-CB 3.38Å; S667-L671 PolarHBondContact O-N 2.88Å; S667-L671 VanDerWaalsContact O-N 3.07Å
668	V	51.6	Low	42.8	Very low	65 Å²	65	113.9 Å²	113.9	39%	0.394	59%	0.593	S	S	.	*	H	α-helix	trans	-71.1	-40.2	174.4	174.8	0	0	0	0	111.6	F664 S670 L671 Q672	F664-V668 HydrophobicContact CD1-CG2 4.39Å; F664-V668 HydrophobicContact CE1-CG2 4.2Å; F664-V668 HydrophobicContact CZ-CG2 4.5Å; F664-V668 VanDerWaalsContact O-CG2 3.26Å; F664-V668 WeakPolarHBondContact O-CG2 3.35Å; F664-V668 PolarHBondContact O-N 3.21Å; V668-S670 PolarHBondContact O-N 2.72Å; V668-L671 PolarHBondContact O-N 2.9Å; V668-Q672 VanDerWaalsContact O-CB 3.29Å; V668-Q672 WeakPolarHBondContact O-CB 3.49Å; V668-Q672 PolarHBondContact O-N 3.04Å
669	N	42.9	Very low	42.5	Very low	93 Å²	93	109.3 Å²	109.3	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-68.5	-30.9	176.1	-82.9	-31	0	0	0	113.5	F665 K673	F665-N669 WeakPolarHBondContact O-CB 3.37Å; F665-N669 PolarHBondContact O-N 2.86Å; F665-N669 PolarHBondContact O-ND2 3.34Å; N669-K673 WeakPolarHBondContact O-CB 3.33Å; N669-K673 PolarHBondContact O-N 3.34Å; N669-K673 VanDerWaalsContact O-N 3.11Å
670	S	52.1	Low	42.5	Very low	62 Å²	62	107.9 Å²	107.9	43%	0.434	58%	0.584	S	S	.	*	H	α-helix	trans	-78.2	-29.3	175.2	55.3	0	0	0	0	113	L666 S667 V668 K674	L666-S670 WeakPolarHBondContact O-CB 3.02Å; L666-S670 PolarHBondContact O-N 2.94Å; L666-S670 VanDerWaalsContact O-N 3.17Å; L666-S670 PolarHBondContact O-OG 3.42Å; S667-S670 WeakPolarHBondContact CA-OG 3.08Å; S667-S670 PolarHBondContact O-OG 3.42Å; S667-S670 VanDerWaalsContact O-OG 3.05Å; V668-S670 PolarHBondContact O-N 2.72Å; S670-K674 WeakPolarHBondContact O-CB 3.47Å; S670-K674 PolarHBondContact O-N 3.37Å
671	L	39.6	Very low	42.2	Very low	102 Å²	102	108.5 Å²	108.5	53%	0.534	60%	0.596	S	S	.	*	H	α-helix	trans	-74.7	-37.6	169.9	-90	157.4	0	0	0	112.4	S667 V668 K673 K674 I675	S667-L671 WeakPolarHBondContact O-CB 3.38Å; S667-L671 PolarHBondContact O-N 2.88Å; S667-L671 VanDerWaalsContact O-N 3.07Å; V668-L671 PolarHBondContact O-N 2.9Å; L671-K673 VanDerWaalsContact C-N 3.32Å; L671-K673 PolarHBondContact O-N 2.71Å; L671-K674 PolarHBondContact O-N 3.47Å; L671-I675 WeakPolarHBondContact O-CB 3.42Å; L671-I675 VanDerWaalsContact O-CG1 3.23Å; L671-I675 WeakPolarHBondContact O-CG1 3.37Å; L671-I675 PolarHBondContact O-N 3.03Å
672	Q	43.8	Very low	41.8	Very low	128 Å²	128	109.2 Å²	109.2	60%	0.598	60%	0.601	S	S	*	*	H	α-helix	trans	-67	-34	175.3	-162.1	167.5	-5.6	0	0	111.7	V668 S676	V668-Q672 VanDerWaalsContact O-CB 3.29Å; V668-Q672 WeakPolarHBondContact O-CB 3.49Å; V668-Q672 PolarHBondContact O-N 3.04Å; Q672-S676 WeakPolarHBondContact O-CB 3.31Å; Q672-S676 PolarHBondContact O-N 3.33Å; Q672-S676 VanDerWaalsContact O-N 3.16Å; Q672-S676 PolarHBondContact O-OG 2.84Å
673	K	45.3	Very low	41.2	Very low	150 Å²	150	109.5 Å²	109.5	65%	0.652	61%	0.611	S	S	*	*	H	α-helix	trans	-70.3	-34.9	168.4	-97.1	179.9	173.8	177.8	0	113.8	N669 L671 S676 L677	N669-K673 WeakPolarHBondContact O-CB 3.33Å; N669-K673 PolarHBondContact O-N 3.34Å; N669-K673 VanDerWaalsContact O-N 3.11Å; L671-K673 VanDerWaalsContact C-N 3.32Å; L671-K673 PolarHBondContact O-N 2.71Å; K673-S676 WeakPolarHBondContact CA-OG 3.15Å; K673-S676 PolarHBondContact O-OG 2.82Å; K673-L677 WeakPolarHBondContact O-CB 3.38Å; K673-L677 VanDerWaalsContact O-CD1 3.24Å; K673-L677 WeakPolarHBondContact O-CD1 3.33Å; K673-L677 WeakPolarHBondContact O-CG 3.04Å; K673-L677 PolarHBondContact O-N 3.08Å
674	K	43.7	Very low	40.6	Very low	158 Å²	158	109.1 Å²	109.1	69%	0.687	62%	0.62	S	S	*	*	H	α-helix	trans	-75.4	-30.8	177.2	-87.4	178.9	176.9	178.5	0	113.1	S670 L671	S670-K674 WeakPolarHBondContact O-CB 3.47Å; S670-K674 PolarHBondContact O-N 3.37Å; L671-K674 PolarHBondContact O-N 3.47Å
675	I	44.2	Very low	40.1	Very low	117 Å²	117	108.4 Å²	108.4	60%	0.6	63%	0.627	S	S	*	*	H	α-helix	trans	-77.9	-34.8	177.5	-67	165.9	0	0	0	110.4	L671 L677 S678	L671-I675 WeakPolarHBondContact O-CB 3.42Å; L671-I675 VanDerWaalsContact O-CG1 3.23Å; L671-I675 WeakPolarHBondContact O-CG1 3.37Å; L671-I675 PolarHBondContact O-N 3.03Å; I675-L677 VanDerWaalsContact C-N 3.33Å; I675-L677 PolarHBondContact O-N 3.47Å; I675-S678 PolarHBondContact O-OG 2.97Å
676	S	41.8	Very low	39.5	Very low	79 Å²	79	108 Å²	108	55%	0.552	63%	0.631	S	S	*	*	H	α-helix	trans	-76.6	-12	175.3	61.8	0	0	0	0	115.4	Q672 K673	Q672-S676 WeakPolarHBondContact O-CB 3.31Å; Q672-S676 PolarHBondContact O-N 3.33Å; Q672-S676 VanDerWaalsContact O-N 3.16Å; Q672-S676 PolarHBondContact O-OG 2.84Å; K673-S676 WeakPolarHBondContact CA-OG 3.15Å; K673-S676 PolarHBondContact O-OG 2.82Å
677	L	43.1	Very low	38.6	Very low	133 Å²	133	109 Å²	109	70%	0.696	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-1.4	176.7	-72.8	167.9	0	0	0	113.7	K673 I675	K673-L677 WeakPolarHBondContact O-CB 3.38Å; K673-L677 VanDerWaalsContact O-CD1 3.24Å; K673-L677 WeakPolarHBondContact O-CD1 3.33Å; K673-L677 WeakPolarHBondContact O-CG 3.04Å; K673-L677 PolarHBondContact O-N 3.08Å; I675-L677 VanDerWaalsContact C-N 3.33Å; I675-L677 PolarHBondContact O-N 3.47Å
678	S	39	Very low	37.8	Very low	98 Å²	98	110.4 Å²	110.4	69%	0.685	65%	0.647	S	S	*	*	S	Bend	trans	-93.2	5.5	-178.7	65.6	0	0	0	0	114.3	I675	I675-S678 PolarHBondContact O-OG 2.97Å
679	S	34.5	Very low	36.7	Very low	95 Å²	95	113.1 Å²	113.1	66%	0.664	66%	0.663	S	S	*	*	S	Bend	trans	-124.1	61.2	-178.9	62.4	0	0	0	0	112.3
680	S	35	Very low	35.9	Very low	95 Å²	95	113.5 Å²	113.5	66%	0.664	67%	0.673	S	S	*	*			trans	-163	105.4	162.3	55.5	0	0	0	0	112.1
681	S	31.8	Very low	34.9	Very low	104 Å²	104	117.4 Å²	117.4	73%	0.727	70%	0.695	S	S	*	*			trans	52.5	114.4	137.8	62.5	0	0	0	0	121.5
682	S	32.3	Very low	34.3	Very low	104 Å²	104	118.9 Å²	118.9	73%	0.727	71%	0.708	S	S	*	*				69.8	113.6	126.6	62.9	0	0	0	0	121.8
683	S	29.4	Very low	33.9	Very low	116 Å²	116	118.2 Å²	118.2	81%	0.811	72%	0.715	S	S	*	*			trans	95.1	136	131.6	63.9	0	0	0	0	120.7
684	P	33.7	Very low	33.1	Very low	116 Å²	116	119.8 Å²	119.8	75%	0.753	73%	0.725	S	S	*	*			trans	-112.6	162.7	-164	41.2	-28.2	0	0	0	113.6
685	T	30.4	Very low	32.3	Very low	133 Å²	133	120.9 Å²	120.9	82%	0.816	73%	0.73	S	S	*	*			trans	151.8	148.7	156.2	31.8	0	0	0	0	108.1
686	L	27.5	Very low	31.9	Very low	140 Å²	140	121.8 Å²	121.8	73%	0.733	74%	0.74	S	S	*	*			cis	-175.1	148.8	-12	-112.2	163.6	0	0	0	103.9
687	L	26.2	Very low	31.3	Very low	150 Å²	150	124 Å²	124	79%	0.785	75%	0.746	S	S	*	*			trans	62.8	152.1	159.8	-92.9	73.7	0	0	0	117.7
688	S	25.8	Very low	30.8	Very low	81 Å²	81	125.1 Å²	125.1	57%	0.566	75%	0.753	S	S	*	*			cis	178.9	171.8	-21.3	46.7	0	0	0	0	105.7
689	T	28.3	Very low	30.2	Very low	121 Å²	121	126.2 Å²	126.2	74%	0.742	76%	0.755	S	S	*	*			trans	78.1	98.6	156.8	53.4	0	0	0	0	120.5
690	S	25.6	Very low	30.1	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	76%	0.762	S	S	*	*				43.5	124.5	118.2	64.1	0	0	0	0	120.6
691	T	31.7	Very low	29.8	Very low	144 Å²	144	131.9 Å²	131.9	88%	0.883	77%	0.766	S	S	*	*				-178	138	111.1	33.3	0	0	0	0	111.6
692	T	27.4	Very low	29.6	Very low	134 Å²	134	135.8 Å²	135.8	82%	0.822	77%	0.766	S	S	*	*			trans	-94	-165.5	173.4	47.9	0	0	0	0	110.7
693	P	35.1	Very low	29.5	Very low	113 Å²	113	137.5 Å²	137.5	73%	0.734	76%	0.762	S	S	*	*				-124.3	174.6	-85.1	38.4	-20.2	0	0	0	112.9
694	E	29.5	Very low	29.4	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	76%	0.758	S	S	*	*			trans	-159.5	125.3	165.1	-115.5	168.7	-161.8	0	0	115.2
695	F	26.8	Very low	29.3	Very low	180 Å²	180	142.7 Å²	142.7	79%	0.789	76%	0.755	S	S	*	*			trans	38.2	140.9	134.9	-84	-97.7	0	0	0	122
696	V	34	Very low	29.3	Very low	137 Å²	137	144.3 Å²	144.3	83%	0.83	75%	0.753	S	S	*	*				-169.8	150.2	75.6	164.9	0	0	0	0	113
697	N	29.2	Very low	29.4	Very low	126 Å²	126	143.4 Å²	143.4	67%	0.674	76%	0.759	S	S	*	*			trans	-66.5	162.3	179.2	-78.4	-28	0	0	0	117.7
698	D	33.8	Very low	29.4	Very low	156 Å²	156	145 Å²	145	83%	0.834	76%	0.762	S	S	*	*				175	139.2	106.4	-90.3	-21.6	0	0	0	115.8
699	T	26.9	Very low	29.5	Very low	120 Å²	120	152.8 Å²	152.8	74%	0.736	78%	0.779	S	S	*	*			trans	-94.8	155.9	178.8	41.4	0	0	0	0	113.2
700	N	32.3	Very low	29.6	Very low	149 Å²	149	152.9 Å²	152.9	80%	0.797	79%	0.785	S	S	*	*			trans	174.3	114.8	145.4	-83.4	-27.5	0	0	0	110.6
701	Q	27.3	Very low	29.7	Very low	161 Å²	161	156.1 Å²	156.1	75%	0.752	79%	0.793	S	S	*	*				85.2	141.5	73	-99.5	-164.4	-3.7	0	0	117.7
702	Y	29	Very low	29.5	Very low	185 Å²	185	158.4 Å²	158.4	73%	0.725	80%	0.795	S	S	*	*			trans	111.2	100	163.6	-76	-90.3	0	0	0	118
703	Q	28.8	Very low	29.6	Very low	140 Å²	140	155.1 Å²	155.1	65%	0.654	79%	0.789	S	S	*	*				73.3	129.4	81.7	-88.2	-167.9	14.3	0	0	113.5
704	R	28.6	Very low	29.2	Very low	194 Å²	194	158.8 Å²	158.8	73%	0.732	80%	0.796	S	S	*	*			cis	178.7	152.2	47.6	-110.7	167.8	-164.7	-177.5	0.9	112
705	H	30.3	Very low	29.1	Very low	148 Å²	148	159.4 Å²	159.4	69%	0.685	80%	0.796	S	S	*	*			trans	59.7	146.9	144.1	-65	-49.1	0	0	0	120.8
706	Q	31.1	Very low	29.2	Very low	166 Å²	166	158.5 Å²	158.5	78%	0.776	80%	0.799	S	S	*	*			cis	-171.5	161.8	12.2	-124.2	161.6	-9.4	0	0	110.1
707	S	29.7	Very low	28.8	Very low	122 Å²	122	159.3 Å²	159.3	85%	0.853	80%	0.797	S	S	*	*			trans	105.1	108.8	153.2	76.6	0	0	0	0	119.7
708	E	26.7	Very low	28.5	Very low	183 Å²	183	160.9 Å²	160.9	86%	0.855	81%	0.805	S	S	*	*			trans	-81.2	152	172.8	-58.4	160.9	133.4	0	0	111.9
709	R	27.4	Very low	28.2	Very low	244 Å²	244	163.5 Å²	163.5	92%	0.921	80%	0.804	S	S	*	*				174.6	145.4	123.9	-96.6	172.8	-166.2	-177.3	5.3	112.4
710	S	29.9	Very low	28.2	Very low	124 Å²	124	164.9 Å²	164.9	87%	0.867	80%	0.8	S	S	*	*			trans	98.9	98.8	165.3	75	0	0	0	0	117.8
711	I	27.5	Very low	27.8	Very low	169 Å²	169	165.4 Å²	165.4	87%	0.867	80%	0.796	S	S	*	*			trans	-83.2	153.1	171.2	-71.7	163.4	0	0	0	109.5
712	M	27.9	Very low	27.8	Very low	191 Å²	191	164 Å²	164	94%	0.941	79%	0.792	S	S	*	*			trans	105.9	114.8	162.9	-156.7	139.3	89.1	0	0	114.5
713	G	28.9	Very low	27.9	Very low	66 Å²	66	160.2 Å²	160.2	68%	0.68	79%	0.792	S	S	*	*			cis	-179.7	177.5	3.6	0	0	0	0	0	111.5
714	Q	28.2	Very low	27.8	Very low	189 Å²	189	162.4 Å²	162.4	88%	0.883	80%	0.802	S	S	*	*			trans	84	91.3	174.7	-64.4	178.3	-21.1	0	0	116.6
715	K	26.5	Very low	27.7	Very low	198 Å²	198	162.6 Å²	162.6	86%	0.861	81%	0.809	S	S	*	*				88.1	124	73.7	-86.2	-174.7	175	177.8	0	114
716	N	28.5	Very low	27.7	Very low	160 Å²	160	162.3 Å²	162.3	86%	0.856	81%	0.805	S	S	*	*			trans	93.6	64.3	163.9	-63	-1.8	0	0	0	118.4
717	I	26.8	Very low	27.7	Very low	155 Å²	155	161.6 Å²	161.6	80%	0.795	81%	0.807	S	S	*	*			trans	-88.7	127.8	147.9	-71.7	168.8	0	0	0	107.8
718	L	22.7	Very low	28	Very low	159 Å²	159	160.4 Å²	160.4	83%	0.832	80%	0.798	S	S	*	*			trans	54.2	85.4	143.5	-152.4	75	0	0	0	118.1
719	Y	27.9	Very low	28.3	Very low	210 Å²	210	155.7 Å²	155.7	82%	0.824	78%	0.779	S	S	*	*			trans	-122.4	112	148.5	-84.4	-96.3	0	0	0	107.4
720	K	25.5	Very low	28.7	Very low	149 Å²	149	149.3 Å²	149.3	65%	0.648	76%	0.762	S	S	*	*				77.1	106.8	70	-164.9	177.8	-174.5	175.1	0	110.4
721	F	25.4	Very low	29	Very low	161 Å²	161	150.7 Å²	150.7	71%	0.706	76%	0.758	S	S	*	*			trans	95.4	115.7	136	-82.2	-140.5	0	0	0	120.2
722	I	27.1	Very low	29.2	Very low	131 Å²	131	148.8 Å²	148.8	67%	0.672	75%	0.749	S	S	*	*				84.9	106	127.2	-62.1	174.8	0	0	0	117.6
723	S	29.7	Very low	29.4	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	73%	0.729	S	S	*	*				-176.6	108.2	93.6	42.1	0	0	0	0	112.2
724	H	27.1	Very low	29.7	Very low	186 Å²	186	146 Å²	146	86%	0.861	73%	0.728	S	S	*	*			trans	37.2	112.1	137.8	-91.1	-95.7	0	0	0	118.9
725	K	27.8	Very low	30.2	Very low	199 Å²	199	145 Å²	145	87%	0.865	72%	0.723	S	S	*	*				158.2	93.8	119.1	-172.5	169.9	-170.5	172.9	0	111.6
726	K	30.4	Very low	30.6	Very low	142 Å²	142	140.2 Å²	140.2	62%	0.617	71%	0.706	S	S	*	*			trans	146.8	82.3	142.9	-86.2	-176.5	161.1	-150.8	0	112.2	D729	K726-D729 IonicContact NZ-OD2 3.46Å; K726-D729 PolarHBondContact NZ-OD2 3.41Å
727	D	29.2	Very low	31	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	69%	0.685	S	S	*	*			trans	-99.6	22.9	175.6	-72.4	-38.7	0	0	0	114
728	S	38	Very low	31.7	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	68%	0.678	S	S	*	*	S	Bend	trans	-105.9	-12	175.6	58.7	0	0	0	0	114.7
729	D	32.5	Very low	32.5	Very low	85 Å²	85	135.2 Å²	135.2	46%	0.455	67%	0.672	S	S	.	*	S	Bend	trans	-101	-2.5	-172.1	-61.3	-13.9	0	0	0	112.6	K726	K726-D729 IonicContact NZ-OD2 3.46Å; K726-D729 PolarHBondContact NZ-OD2 3.41Å
730	I	35	Very low	33.1	Very low	109 Å²	109	129.2 Å²	129.2	56%	0.559	66%	0.657	S	S	*	*	H	α-helix	trans	-87	-21.5	-168.5	-65.1	172.3	0	0	0	112.9
731	I	36.1	Very low	33.7	Very low	153 Å²	153	126.1 Å²	126.1	79%	0.785	65%	0.654	S	S	*	*	H	α-helix	trans	-84.1	-20.5	-179.7	-58	174.8	0	0	0	112
732	L	32.6	Very low	34.7	Very low	130 Å²	130	120.6 Å²	120.6	68%	0.681	64%	0.642	S	S	*	*	H	α-helix	trans	-83	-24.2	175.4	-162.6	72.3	0	0	0	112.7	D734 L736	L732-D734 VanDerWaalsContact C-N 3.33Å; L732-D734 PolarHBondContact O-N 2.89Å; L732-L736 HydrophobicContact CG-CD1 4.39Å
733	C	31.8	Very low	35.7	Very low	77 Å²	77	118.7 Å²	118.7	52%	0.52	63%	0.633	S	S	.	*	H	α-helix	trans	-70.4	-27.5	177.9	-86.8	0	0	0	0	113	Q735 L736 T737	C733-Q735 VanDerWaalsContact C-N 3.32Å; C733-Q735 PolarHBondContact O-N 2.85Å; C733-L736 PolarHBondContact O-N 3.44Å; C733-T737 WeakPolarHBondContact O-CG2 3.35Å; C733-T737 PolarHBondContact O-N 2.75Å; C733-T737 PolarHBondContact O-OG1 3.45Å; C733-T737 VanDerWaalsContact O-OG1 3.1Å
734	D	35.9	Very low	36.7	Very low	122 Å²	122	121.9 Å²	121.9	65%	0.652	63%	0.63	S	S	*	*	H	α-helix	trans	-78.8	-15.6	-174.2	-140.2	31.3	0	0	0	113.9	L732 T737	L732-D734 VanDerWaalsContact C-N 3.33Å; L732-D734 PolarHBondContact O-N 2.89Å; D734-T737 WeakPolarHBondContact CA-OG1 3.03Å; D734-T737 PolarHBondContact O-OG1 3.11Å; D734-T737 VanDerWaalsContact O-OG1 3.08Å
735	Q	37.9	Very low	38.1	Very low	167 Å²	167	118.6 Å²	118.6	78%	0.78	62%	0.618	S	S	*	*	H	α-helix	trans	-94	-27	170.8	-67.3	-135.8	-35.4	0	0	113.3	C733	C733-Q735 VanDerWaalsContact C-N 3.32Å; C733-Q735 PolarHBondContact O-N 2.85Å
736	L	34.3	Very low	39.7	Very low	98 Å²	98	114.1 Å²	114.1	51%	0.513	60%	0.604	S	S	.	*	H	α-helix	trans	-78.1	-27.2	174.6	-80.4	159.2	0	0	0	112.4	L732 C733 K738 Q739 T740	L732-L736 HydrophobicContact CG-CD1 4.39Å; C733-L736 PolarHBondContact O-N 3.44Å; L736-K738 PolarHBondContact O-N 2.59Å; L736-Q739 PolarHBondContact O-N 3.4Å; L736-T740 WeakPolarHBondContact O-CG2 3.38Å; L736-T740 PolarHBondContact O-N 2.86Å; L736-T740 PolarHBondContact O-OG1 3.3Å
737	T	37.5	Very low	41.1	Very low	65 Å²	65	115.7 Å²	115.7	40%	0.399	61%	0.606	S	S	.	*	H	α-helix	trans	-63.8	-37.3	179	44.4	0	0	0	0	113.1	C733 D734 Q739 T740 C741	C733-T737 WeakPolarHBondContact O-CG2 3.35Å; C733-T737 PolarHBondContact O-N 2.75Å; C733-T737 PolarHBondContact O-OG1 3.45Å; C733-T737 VanDerWaalsContact O-OG1 3.1Å; D734-T737 WeakPolarHBondContact CA-OG1 3.03Å; D734-T737 PolarHBondContact O-OG1 3.11Å; D734-T737 VanDerWaalsContact O-OG1 3.08Å; T737-Q739 PolarHBondContact O-N 3.41Å; T737-T740 WeakPolarHBondContact CA-OG1 3.32Å; T737-T740 PolarHBondContact O-N 3.1Å; T737-T740 PolarHBondContact O-OG1 3.4Å; T737-C741 PolarHBondContact O-N 3.08Å
738	K	41.7	Very low	42.8	Very low	150 Å²	150	111.4 Å²	111.4	65%	0.652	58%	0.583	S	S	*	*	H	α-helix	trans	-66.2	-34.4	-179.8	-73.6	-174.5	177.7	-175.4	0	113.4	L736	L736-K738 PolarHBondContact O-N 2.59Å
739	Q	39.4	Very low	44.2	Very low	154 Å²	154	111.4 Å²	111.4	72%	0.72	58%	0.575	S	S	*	*	H	α-helix	trans	-80.9	-28.8	177.3	-139.5	175	13.6	0	0	112.5	L736 T737 C741	L736-Q739 PolarHBondContact O-N 3.4Å; T737-Q739 PolarHBondContact O-N 3.41Å; Q739-C741 VanDerWaalsContact C-N 3.31Å; Q739-C741 PolarHBondContact O-N 2.68Å
740	T	40.9	Very low	46	Very low	83 Å²	83	111.6 Å²	111.6	51%	0.509	58%	0.579	S	S	.	*	H	α-helix	trans	-73.1	-21.3	174.5	58.3	0	0	0	0	113.7	L736 T737 L743 Y744	L736-T740 WeakPolarHBondContact O-CG2 3.38Å; L736-T740 PolarHBondContact O-N 2.86Å; L736-T740 PolarHBondContact O-OG1 3.3Å; T737-T740 WeakPolarHBondContact CA-OG1 3.32Å; T737-T740 PolarHBondContact O-N 3.1Å; T737-T740 PolarHBondContact O-OG1 3.4Å; T740-L743 PolarHBondContact O-N 2.88Å; T740-Y744 WeakPolarHBondContact O-CB 3.47Å; T740-Y744 PolarHBondContact O-N 3.41Å
741	C	37.7	Very low	47.6	Very low	85 Å²	85	110 Å²	110	57%	0.574	58%	0.577	S	S	*	*	H	α-helix	trans	-71.5	-44.4	-172.9	-162.9	0	0	0	0	113.2	T737 Q739 L743 Y744 L745	T737-C741 PolarHBondContact O-N 3.08Å; Q739-C741 VanDerWaalsContact C-N 3.31Å; Q739-C741 PolarHBondContact O-N 2.68Å; C741-L743 VanDerWaalsContact C-N 3.35Å; C741-Y744 PolarHBondContact O-N 3.49Å; C741-L745 PolarHBondContact O-N 3.06Å
742	G	46.9	Very low	49.2	Very low	45 Å²	45	103.1 Å²	103.1	46%	0.464	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-38.8	172.8	0	0	0	0	0	112.4	Y744 L745 D746	G742-Y744 PolarHBondContact O-N 3.02Å; G742-L745 PolarHBondContact O-N 3.29Å; G742-D746 PolarHBondContact O-N 3.32Å
743	L	47.1	Very low	51	Low	91 Å²	91	101.1 Å²	101.1	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-27.4	175	-123	139.8	0	0	0	112.7	T740 C741 R747	T740-L743 PolarHBondContact O-N 2.88Å; C741-L743 VanDerWaalsContact C-N 3.35Å; L743-R747 VanDerWaalsContact O-CB 3.25Å; L743-R747 WeakPolarHBondContact O-CB 3.38Å; L743-R747 WeakPolarHBondContact O-CD 3.28Å; L743-R747 WeakPolarHBondContact O-CG 3.35Å; L743-R747 PolarHBondContact O-N 3.38Å; L743-R747 VanDerWaalsContact O-N 3.13Å
744	Y	51.6	Low	52.9	Low	171 Å²	171	102.1 Å²	102.1	67%	0.671	53%	0.531	S	S	*	.	H	α-helix	trans	-79.1	-37.2	177	-156.8	-93.1	0	0	0	112.1	T740 C741 G742 R747 L748	T740-Y744 WeakPolarHBondContact O-CB 3.47Å; T740-Y744 PolarHBondContact O-N 3.41Å; C741-Y744 PolarHBondContact O-N 3.49Å; G742-Y744 PolarHBondContact O-N 3.02Å; Y744-R747 PolarHBondContact O-N 2.96Å; Y744-L748 WeakPolarHBondContact O-CB 3.48Å; Y744-L748 PolarHBondContact O-N 2.94Å
745	L	56.2	Low	54.7	Low	117 Å²	117	97.7 Å²	97.7	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-68.7	-43.7	176.7	-156	78.2	0	0	0	111.2	C741 G742 L748 L749	C741-L745 PolarHBondContact O-N 3.06Å; G742-L745 PolarHBondContact O-N 3.29Å; L745-L748 PolarHBondContact O-N 2.96Å; L745-L749 WeakPolarHBondContact O-CB 3.28Å; L745-L749 PolarHBondContact O-N 3.35Å
746	D	61.7	Low	56.5	Low	105 Å²	105	90.9 Å²	90.9	56%	0.561	48%	0.484	S	S	*	.	H	α-helix	trans	-63.9	-42.7	174.1	-75.9	-18.6	0	0	0	111.4	G742 L748 L749 V750	G742-D746 PolarHBondContact O-N 3.32Å; D746-L748 VanDerWaalsContact C-N 3.35Å; D746-L748 PolarHBondContact O-N 3.42Å; D746-L749 PolarHBondContact O-N 3Å; D746-V750 WeakPolarHBondContact O-CB 3.44Å; D746-V750 WeakPolarHBondContact O-CG2 2.97Å; D746-V750 PolarHBondContact O-N 2.72Å
747	R	59.3	Low	58.3	Low	175 Å²	175	88.8 Å²	88.8	66%	0.66	48%	0.481	S	S	*	.	H	α-helix	trans	-64.8	-36.4	175.5	-78.5	175.5	-177.5	-168.5	4.8	112.9	L743 Y744 S751	L743-R747 VanDerWaalsContact O-CB 3.25Å; L743-R747 WeakPolarHBondContact O-CB 3.38Å; L743-R747 WeakPolarHBondContact O-CD 3.28Å; L743-R747 WeakPolarHBondContact O-CG 3.35Å; L743-R747 PolarHBondContact O-N 3.38Å; L743-R747 VanDerWaalsContact O-N 3.13Å; Y744-R747 PolarHBondContact O-N 2.96Å; R747-S751 WeakPolarHBondContact O-CB 3.23Å; R747-S751 PolarHBondContact O-N 3.36Å
748	L	65.2	Low	59.9	Low	61 Å²	61	89.7 Å²	89.7	32%	0.319	48%	0.482	S	S	.	.	H	α-helix	trans	-69.9	-45.8	177.1	-172.1	67.2	0	0	0	110.6	L637 Y744 L745 D746 S751 T752	L637-L748 HydrophobicContact CD1-CD2 4.46Å; L637-L748 HydrophobicContact CD2-CD1 4.14Å; L637-L748 HydrophobicContact CD2-CG 4.31Å; Y744-L748 WeakPolarHBondContact O-CB 3.48Å; Y744-L748 PolarHBondContact O-N 2.94Å; L745-L748 PolarHBondContact O-N 2.96Å; D746-L748 VanDerWaalsContact C-N 3.35Å; D746-L748 PolarHBondContact O-N 3.42Å; L748-S751 PolarHBondContact O-N 3Å; L748-T752 WeakPolarHBondContact O-CB 3.41Å; L748-T752 PolarHBondContact O-N 3.13Å; L748-T752 PolarHBondContact O-OG1 3.25Å
749	L	67.6	Low	61.5	Low	97 Å²	97	83 Å²	83	51%	0.508	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-45.8	176.3	-176	124.6	0	0	0	111.3	L745 D746 T752 L753	L745-L749 WeakPolarHBondContact O-CB 3.28Å; L745-L749 PolarHBondContact O-N 3.35Å; D746-L749 PolarHBondContact O-N 3Å; L749-T752 PolarHBondContact O-N 3.07Å; L749-T752 VanDerWaalsContact O-N 3.15Å; L749-L753 HydrophobicContact CD2-CD1 3.62Å; L749-L753 HydrophobicContact CG-CD1 4.07Å; L749-L753 WeakPolarHBondContact O-CB 3.31Å; L749-L753 WeakPolarHBondContact O-CG 3.31Å; L749-L753 PolarHBondContact O-N 2.68Å
750	V	69.9	Low	63.4	Low	88 Å²	88	79.8 Å²	79.8	53%	0.533	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-44.5	174.6	171	0	0	0	0	110.9	D746 T752 L753 L754	D746-V750 WeakPolarHBondContact O-CB 3.44Å; D746-V750 WeakPolarHBondContact O-CG2 2.97Å; D746-V750 PolarHBondContact O-N 2.72Å; V750-T752 PolarHBondContact O-N 3.46Å; V750-L753 PolarHBondContact O-N 3.18Å; V750-L754 WeakPolarHBondContact O-CB 3.03Å; V750-L754 PolarHBondContact O-N 2.91Å
751	S	67.6	Low	65	Low	76 Å²	76	79.2 Å²	79.2	53%	0.531	44%	0.442	S	S	.	.	H	α-helix	trans	-65.2	-29.3	176	-176.2	0	0	0	0	112.6	R747 L748 G755	R747-S751 WeakPolarHBondContact O-CB 3.23Å; R747-S751 PolarHBondContact O-N 3.36Å; L748-S751 PolarHBondContact O-N 3Å; S751-G755 WeakPolarHBondContact O-CA 3.39Å; S751-G755 PolarHBondContact O-N 3.44Å
752	T	70.1	Confident	67.2	Low	8 Å²	8	77.2 Å²	77.2	5%	0.049	43%	0.425	C	S	.	.	H	α-helix	trans	-79.9	-43.2	-180	-49.5	0	0	0	0	111.1	S634 L637 C638 L748 L749 V750 G755 L756	S634-T752 WeakPolarHBondContact O-CG2 3.46Å; L637-T752 HydrophobicContact CB-CG2 3.8Å; L637-T752 HydrophobicContact CD2-CG2 3.87Å; L637-T752 WeakPolarHBondContact CD2-OG1 3.49Å; L637-T752 HydrophobicContact CG-CG2 3.92Å; C638-T752 HydrophobicContact CB-CG2 4.12Å; L748-T752 WeakPolarHBondContact O-CB 3.41Å; L748-T752 PolarHBondContact O-N 3.13Å; L748-T752 PolarHBondContact O-OG1 3.25Å; L749-T752 PolarHBondContact O-N 3.07Å; L749-T752 VanDerWaalsContact O-N 3.15Å; V750-T752 PolarHBondContact O-N 3.46Å; T752-G755 PolarHBondContact O-N 2.71Å; T752-L756 VanDerWaalsContact O-CB 3.23Å; T752-L756 WeakPolarHBondContact O-CB 3.43Å; T752-L756 PolarHBondContact O-N 3.31Å
753	L	70.9	Confident	69	Low	89 Å²	89	77.3 Å²	77.3	47%	0.466	41%	0.412	S	S	.	.	H	α-helix	trans	-64.7	-43.2	172.6	-76.5	168.9	0	0	0	111	L749 V750 L756 A757	L749-L753 HydrophobicContact CD2-CD1 3.62Å; L749-L753 HydrophobicContact CG-CD1 4.07Å; L749-L753 WeakPolarHBondContact O-CB 3.31Å; L749-L753 WeakPolarHBondContact O-CG 3.31Å; L749-L753 PolarHBondContact O-N 2.68Å; V750-L753 PolarHBondContact O-N 3.18Å; L753-L756 PolarHBondContact O-N 3.39Å; L753-A757 WeakPolarHBondContact O-CB 3.38Å; L753-A757 PolarHBondContact O-N 2.89Å
754	L	71	Confident	70.7	Confident	97 Å²	97	75 Å²	75	51%	0.508	40%	0.402	S	S	.	.	H	α-helix	trans	-66.3	-42.7	175.3	-172.3	66.6	0	0	0	110.9	V750 L756 A757 I758	V750-L754 WeakPolarHBondContact O-CB 3.03Å; V750-L754 PolarHBondContact O-N 2.91Å; L754-L756 VanDerWaalsContact C-N 3.35Å; L754-L756 PolarHBondContact O-N 3.5Å; L754-A757 PolarHBondContact O-N 3.45Å; L754-I758 HydrophobicContact CD1-CD1 3.93Å; L754-I758 HydrophobicContact CD1-CG1 4.21Å; L754-I758 HydrophobicContact CD2-CD1 4.3Å; L754-I758 HydrophobicContact CG-CD1 3.66Å; L754-I758 HydrophobicContact CG-CG1 4.29Å; L754-I758 VanDerWaalsContact O-CB 3.25Å; L754-I758 WeakPolarHBondContact O-CB 3.42Å; L754-I758 WeakPolarHBondContact O-CG1 3.21Å; L754-I758 PolarHBondContact O-N 3.35Å
755	G	73.5	Confident	72.3	Confident	29 Å²	29	66.9 Å²	66.9	30%	0.299	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-36.9	176.1	0	0	0	0	0	113.1	S751 T752 G759	S751-G755 WeakPolarHBondContact O-CA 3.39Å; S751-G755 PolarHBondContact O-N 3.44Å; T752-G755 PolarHBondContact O-N 2.71Å; G755-G759 WeakPolarHBondContact O-CA 3.16Å; G755-G759 PolarHBondContact O-N 2.65Å
756	L	76.4	Confident	73.8	Confident	25 Å²	25	61.4 Å²	61.4	13%	0.131	34%	0.342	C	S	.	.	H	α-helix	trans	-73.8	-40.7	175.3	-168.8	135.6	0	0	0	111.8	W635 T752 L753 L754 G759 L760	W635-L756 HydrophobicContact CB-CD1 4.06Å; W635-L756 HydrophobicContact CE3-CD1 3.73Å; T752-L756 VanDerWaalsContact O-CB 3.23Å; T752-L756 WeakPolarHBondContact O-CB 3.43Å; T752-L756 PolarHBondContact O-N 3.31Å; L753-L756 PolarHBondContact O-N 3.39Å; L754-L756 VanDerWaalsContact C-N 3.35Å; L754-L756 PolarHBondContact O-N 3.5Å; L756-G759 PolarHBondContact O-N 3.37Å; L756-L760 HydrophobicContact CD2-CD1 3.53Å; L756-L760 HydrophobicContact CD2-CG 4.3Å; L756-L760 HydrophobicContact CG-CD1 4.3Å; L756-L760 WeakPolarHBondContact O-CB 3.49Å; L756-L760 VanDerWaalsContact O-CG 3.29Å; L756-L760 WeakPolarHBondContact O-CG 3.47Å; L756-L760 PolarHBondContact O-N 2.89Å
757	A	71.6	Confident	75	Confident	54 Å²	54	59 Å²	59	45%	0.446	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-46.8	176.4	0	0	0	0	0	111.9	L753 L754 C761	L753-A757 WeakPolarHBondContact O-CB 3.38Å; L753-A757 PolarHBondContact O-N 2.89Å; L754-A757 PolarHBondContact O-N 3.45Å; A757-C761 WeakPolarHBondContact O-CB 3.14Å; A757-C761 PolarHBondContact O-N 3.49Å
758	I	72.8	Confident	76.2	Confident	84 Å²	84	51.2 Å²	51.2	43%	0.431	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-45.1	173.6	-67.2	170.5	0	0	0	109.6	L754 L760 C761 L762	L754-I758 HydrophobicContact CD1-CD1 3.93Å; L754-I758 HydrophobicContact CD1-CG1 4.21Å; L754-I758 HydrophobicContact CD2-CD1 4.3Å; L754-I758 HydrophobicContact CG-CD1 3.66Å; L754-I758 HydrophobicContact CG-CG1 4.29Å; L754-I758 VanDerWaalsContact O-CB 3.25Å; L754-I758 WeakPolarHBondContact O-CB 3.42Å; L754-I758 WeakPolarHBondContact O-CG1 3.21Å; L754-I758 PolarHBondContact O-N 3.35Å; I758-L760 PolarHBondContact O-N 2.78Å; I758-C761 PolarHBondContact O-N 3.35Å; I758-L762 HydrophobicContact CG2-CD1 3.59Å; I758-L762 HydrophobicContact CG2-CG 4.16Å; I758-L762 WeakPolarHBondContact O-CB 3.29Å; I758-L762 VanDerWaalsContact O-CG 3.24Å; I758-L762 WeakPolarHBondContact O-CG 3.44Å; I758-L762 PolarHBondContact O-N 2.81Å
759	G	74.7	Confident	77.3	Confident	10 Å²	10	48.6 Å²	48.6	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-55.2	-51.9	177.2	0	0	0	0	0	112.2	G755 L756 L762 F763	G755-G759 WeakPolarHBondContact O-CA 3.16Å; G755-G759 PolarHBondContact O-N 2.65Å; L756-G759 PolarHBondContact O-N 3.37Å; G759-L762 PolarHBondContact O-N 3.12Å; G759-F763 VanDerWaalsContact O-CB 3.26Å; G759-F763 WeakPolarHBondContact O-CB 3.16Å; G759-F763 PolarHBondContact O-N 3.47Å
760	L	78.2	Confident	78.3	Confident	86 Å²	86	44.9 Å²	44.9	45%	0.45	27%	0.267	S	S	.	.	H	α-helix	trans	-67.1	-36.6	178	-71.6	175.4	0	0	0	113	I631 L756 I758 F763	I631-L760 HydrophobicContact CD1-CD2 4.42Å; L756-L760 HydrophobicContact CD2-CD1 3.53Å; L756-L760 HydrophobicContact CD2-CG 4.3Å; L756-L760 HydrophobicContact CG-CD1 4.3Å; L756-L760 WeakPolarHBondContact O-CB 3.49Å; L756-L760 VanDerWaalsContact O-CG 3.29Å; L756-L760 WeakPolarHBondContact O-CG 3.47Å; L756-L760 PolarHBondContact O-N 2.89Å; I758-L760 PolarHBondContact O-N 2.78Å; L760-F763 WeakPolarHBondContact O-CB 3.13Å; L760-F763 PolarHBondContact O-N 2.64Å
761	C	76	Confident	79.1	Confident	71 Å²	71	45.5 Å²	45.5	48%	0.48	27%	0.267	S	S	.	.	H	α-helix	trans	-67.3	-37.2	177.6	-177.2	0	0	0	0	112.1	A757 I758	A757-C761 WeakPolarHBondContact O-CB 3.14Å; A757-C761 PolarHBondContact O-N 3.49Å; I758-C761 PolarHBondContact O-N 3.35Å
762	L	82.8	Confident	80	Confident	42 Å²	42	43.2 Å²	43.2	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-77.6	-28.2	174.9	-64.6	174.3	0	0	0	112.1	N475 L478 I758 G759 T764 T765 T766	N475-L762 HydrophobicContact CB-CD2 4.18Å; N475-L762 VanDerWaalsContact ND2-CD2 3.33Å; N475-L762 WeakPolarHBondContact ND2-CD2 3.27Å; L478-L762 HydrophobicContact CB-CD2 3.84Å; L478-L762 HydrophobicContact CD2-CB 3.73Å; L478-L762 HydrophobicContact CD2-CD2 3.57Å; L478-L762 HydrophobicContact CD2-CG 4.12Å; L478-L762 HydrophobicContact CG-CD2 4.29Å; I758-L762 HydrophobicContact CG2-CD1 3.59Å; I758-L762 HydrophobicContact CG2-CG 4.16Å; I758-L762 WeakPolarHBondContact O-CB 3.29Å; I758-L762 VanDerWaalsContact O-CG 3.24Å; I758-L762 WeakPolarHBondContact O-CG 3.44Å; I758-L762 PolarHBondContact O-N 2.81Å; G759-L762 PolarHBondContact O-N 3.12Å; L762-T764 PolarHBondContact O-N 2.92Å; L762-T765 PolarHBondContact O-N 3.46Å; L762-T765 VanDerWaalsContact O-N 3.14Å; L762-T765 PolarHBondContact O-OG1 3.06Å; L762-T766 PolarHBondContact O-N 3.36Å
763	F	84	Confident	80.9	Confident	47 Å²	47	43 Å²	43	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-56.5	-45.3	-176.5	-171.1	-122.4	0	0	0	113	L624 L628 I631 G759 L760 T765 T766 I767	L624-F763 HydrophobicContact CD1-CD2 4.08Å; L624-F763 HydrophobicContact CD1-CE2 3.51Å; L624-F763 HydrophobicContact CD1-CZ 4.31Å; L628-F763 HydrophobicContact CD2-CE2 3.65Å; L628-F763 HydrophobicContact CD2-CZ 3.78Å; L628-F763 HydrophobicContact CG-CE2 4.1Å; I631-F763 HydrophobicContact CD1-CB 4.24Å; I631-F763 HydrophobicContact CD1-CD2 3.9Å; I631-F763 HydrophobicContact CD1-CE2 4.43Å; I631-F763 HydrophobicContact CD1-CG 4.12Å; G759-F763 VanDerWaalsContact O-CB 3.26Å; G759-F763 WeakPolarHBondContact O-CB 3.16Å; G759-F763 PolarHBondContact O-N 3.47Å; L760-F763 WeakPolarHBondContact O-CB 3.13Å; L760-F763 PolarHBondContact O-N 2.64Å; F763-T765 PolarHBondContact O-N 3.21Å; F763-T766 PolarHBondContact O-N 2.66Å; F763-T766 VanDerWaalsContact O-N 3.09Å; F763-T766 PolarHBondContact O-OG1 2.99Å; F763-I767 HydrophobicContact CD1-CD1 3.43Å; F763-I767 VanDerWaalsContact CD1-CD1 3.43Å; F763-I767 HydrophobicContact CD1-CG1 4.36Å; F763-I767 HydrophobicContact CD2-CD1 4.32Å; F763-I767 HydrophobicContact CD2-CG1 4.47Å; F763-I767 HydrophobicContact CE1-CD1 3.1Å; F763-I767 HydrophobicContact CE1-CG1 4.14Å; F763-I767 HydrophobicContact CE2-CD1 4.05Å; F763-I767 HydrophobicContact CE2-CG1 4.24Å; F763-I767 HydrophobicContact CG-CD1 4.04Å; F763-I767 HydrophobicContact CZ-CD1 3.44Å; F763-I767 VanDerWaalsContact CZ-CD1 3.44Å; F763-I767 HydrophobicContact CZ-CG1 4.06Å; F763-I767 PolarHBondContact O-N 3.3Å
764	T	83.8	Confident	81.7	Confident	42 Å²	42	39.2 Å²	39.2	26%	0.258	23%	0.228	S	C	.	.	H	α-helix	trans	-53.4	-40	178.5	-52.7	0	0	0	0	112.4	L472 L762 A768	L472-T764 HydrophobicContact CB-CG2 4.08Å; L472-T764 HydrophobicContact CD2-CG2 3.48Å; L472-T764 VanDerWaalsContact CD2-CG2 3.48Å; L472-T764 HydrophobicContact CG-CG2 4.4Å; L762-T764 PolarHBondContact O-N 2.92Å; T764-A768 PolarHBondContact O-N 3.09Å; T764-A768 VanDerWaalsContact O-N 3.15Å
765	T	85.3	Confident	82.4	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-69.9	-44.9	179.4	70.7	0	0	0	0	111.7	I474 N475 L478 L762 F763 I767 A768 F769	I474-T765 HydrophobicContact CB-CG2 3.99Å; I474-T765 HydrophobicContact CG1-CG2 4.38Å; I474-T765 HydrophobicContact CG2-CG2 3.37Å; N475-T765 HydrophobicContact CB-CG2 3.58Å; L478-T765 WeakPolarHBondContact CD2-OG1 2.99Å; L762-T765 PolarHBondContact O-N 3.46Å; L762-T765 VanDerWaalsContact O-N 3.14Å; L762-T765 PolarHBondContact O-OG1 3.06Å; F763-T765 PolarHBondContact O-N 3.21Å; T765-I767 VanDerWaalsContact C-N 3.31Å; T765-I767 PolarHBondContact O-N 3.49Å; T765-A768 WeakPolarHBondContact O-CB 3.41Å; T765-A768 PolarHBondContact O-N 3.34Å; T765-A768 VanDerWaalsContact O-N 3.09Å; T765-F769 WeakPolarHBondContact O-CD2 3.38Å; T765-F769 PolarHBondContact O-N 3.48Å; T765-F769 VanDerWaalsContact O-N 3.09Å
766	T	86.5	Confident	83	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-34	-179.7	66.5	0	0	0	0	112.4	L478 L623 Q627 L762 F763 A768 F769 Y770	L478-T766 HydrophobicContact CD2-CG2 4.04Å; L623-T766 HydrophobicContact CD2-CG2 3.53Å; L623-T766 HydrophobicContact CG-CG2 4.07Å; Q627-T766 PolarHBondContact OE1-OG1 3.34Å; L762-T766 PolarHBondContact O-N 3.36Å; F763-T766 PolarHBondContact O-N 2.66Å; F763-T766 VanDerWaalsContact O-N 3.09Å; F763-T766 PolarHBondContact O-OG1 2.99Å; T766-A768 VanDerWaalsContact C-N 3.35Å; T766-F769 PolarHBondContact O-N 3.49Å; T766-Y770 WeakPolarHBondContact O-CB 3.42Å; T766-Y770 PolarHBondContact O-N 3.09Å
767	I	87.1	Confident	83.5	Confident	54 Å²	54	37.7 Å²	37.7	28%	0.277	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-44.2	171	-73.8	172.4	0	0	0	110.4	L624 F763 T765 F769 Y770 I771	L624-I767 HydrophobicContact CD1-CG1 3.97Å; F763-I767 HydrophobicContact CD1-CD1 3.43Å; F763-I767 VanDerWaalsContact CD1-CD1 3.43Å; F763-I767 HydrophobicContact CD1-CG1 4.36Å; F763-I767 HydrophobicContact CD2-CD1 4.32Å; F763-I767 HydrophobicContact CD2-CG1 4.47Å; F763-I767 HydrophobicContact CE1-CD1 3.1Å; F763-I767 HydrophobicContact CE1-CG1 4.14Å; F763-I767 HydrophobicContact CE2-CD1 4.05Å; F763-I767 HydrophobicContact CE2-CG1 4.24Å; F763-I767 HydrophobicContact CG-CD1 4.04Å; F763-I767 HydrophobicContact CZ-CD1 3.44Å; F763-I767 VanDerWaalsContact CZ-CD1 3.44Å; F763-I767 HydrophobicContact CZ-CG1 4.06Å; F763-I767 PolarHBondContact O-N 3.3Å; T765-I767 VanDerWaalsContact C-N 3.31Å; T765-I767 PolarHBondContact O-N 3.49Å; I767-F769 PolarHBondContact O-N 3.09Å; I767-Y770 PolarHBondContact O-N 3.41Å; I767-I771 HydrophobicContact CG2-CD1 3.43Å; I767-I771 VanDerWaalsContact CG2-CD1 3.43Å; I767-I771 HydrophobicContact CG2-CG1 3.99Å; I767-I771 WeakPolarHBondContact O-CB 3.46Å; I767-I771 VanDerWaalsContact O-CG1 3.29Å; I767-I771 WeakPolarHBondContact O-CG1 3.41Å; I767-I771 PolarHBondContact O-N 2.94Å
768	A	85.9	Confident	84.1	Confident	13 Å²	13	38.1 Å²	38.1	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-46.7	179.3	0	0	0	0	0	111.8	I474 T764 T765 T766 T772	I474-A768 HydrophobicContact CD1-CB 4.11Å; T764-A768 PolarHBondContact O-N 3.09Å; T764-A768 VanDerWaalsContact O-N 3.15Å; T765-A768 WeakPolarHBondContact O-CB 3.41Å; T765-A768 PolarHBondContact O-N 3.34Å; T765-A768 VanDerWaalsContact O-N 3.09Å; T766-A768 VanDerWaalsContact C-N 3.35Å; A768-T772 WeakPolarHBondContact O-CG2 3.34Å; A768-T772 PolarHBondContact O-N 2.81Å; A768-T772 VanDerWaalsContact O-N 3.1Å; A768-T772 PolarHBondContact O-OG1 3.47Å
769	F	87.2	Confident	84.8	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-39	174.1	-80.6	-86.2	0	0	0	112.4	L461 L464 S479 M482 F486 T765 T766 I767 T772 F773	L461-F769 HydrophobicContact CD2-CE1 4.47Å; L464-F769 HydrophobicContact CB-CE1 3.93Å; L464-F769 HydrophobicContact CB-CE2 4.47Å; L464-F769 HydrophobicContact CB-CZ 3.79Å; L464-F769 HydrophobicContact CD1-CD1 3.84Å; L464-F769 HydrophobicContact CD1-CE1 3.71Å; L464-F769 HydrophobicContact CD1-CZ 4.38Å; L464-F769 HydrophobicContact CG-CE1 4.4Å; S479-F769 WeakPolarHBondContact OG-CE2 3.28Å; M482-F769 HydrophobicContact CB-CD2 4.43Å; M482-F769 HydrophobicContact CB-CE1 4.1Å; M482-F769 HydrophobicContact CB-CE2 4.02Å; M482-F769 HydrophobicContact CB-CZ 3.82Å; F486-F769 HydrophobicContact CD2-CD1 4.1Å; F486-F769 AromaticContact CD2-CE1 3.95Å; F486-F769 HydrophobicContact CD2-CE1 3.95Å; F486-F769 AromaticContact CE2-CD1 3.57Å; F486-F769 HydrophobicContact CE2-CD1 3.57Å; F486-F769 AromaticContact CE2-CE1 3.85Å; F486-F769 HydrophobicContact CE2-CE1 3.85Å; F486-F769 HydrophobicContact CE2-CG 4.39Å; T765-F769 WeakPolarHBondContact O-CD2 3.38Å; T765-F769 PolarHBondContact O-N 3.48Å; T765-F769 VanDerWaalsContact O-N 3.09Å; T766-F769 PolarHBondContact O-N 3.49Å; I767-F769 PolarHBondContact O-N 3.09Å; F769-T772 WeakPolarHBondContact CA-OG1 3.5Å; F769-T772 PolarHBondContact O-OG1 3.34Å; F769-F773 HydrophobicContact CB-CE2 4.5Å; F769-F773 AromaticContact CD1-CE2 3.77Å; F769-F773 HydrophobicContact CD1-CE2 3.77Å; F769-F773 HydrophobicContact CD1-CZ 4.43Å; F769-F773 WeakPolarHBondContact O-CD2 3.47Å; F769-F773 PolarHBondContact O-N 3.39Å; F769-F773 VanDerWaalsContact O-N 3.08Å
770	Y	89	Confident	85.4	Confident	18 Å²	18	39.3 Å²	39.3	7%	0.071	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-50.2	176.5	175.6	-106	0	0	0	111.5	Y617 T621 L624 T766 I767 T772 F773 T774 L869	Y617-Y770 HydrophobicContact CE2-CE2 4.05Å; T621-Y770 HydrophobicContact CG2-CE2 4.37Å; T621-Y770 WeakPolarHBondContact OG1-CE2 3.45Å; L624-Y770 HydrophobicContact CD2-CD1 3.67Å; L624-Y770 HydrophobicContact CD2-CD2 3.99Å; L624-Y770 HydrophobicContact CD2-CE1 3.94Å; L624-Y770 HydrophobicContact CD2-CE2 4.26Å; L624-Y770 HydrophobicContact CD2-CG 3.68Å; T766-Y770 WeakPolarHBondContact O-CB 3.42Å; T766-Y770 PolarHBondContact O-N 3.09Å; I767-Y770 PolarHBondContact O-N 3.41Å; Y770-T772 VanDerWaalsContact C-N 3.33Å; Y770-T772 PolarHBondContact O-N 2.79Å; Y770-F773 PolarHBondContact O-N 3.42Å; Y770-T774 WeakPolarHBondContact O-CB 3.34Å; Y770-T774 PolarHBondContact O-N 3.1Å; Y770-T774 PolarHBondContact O-OG1 2.82Å; Y770-L869 PolarHBondContact OH-O 3.22Å
771	I	87.1	Confident	85.7	Confident	102 Å²	102	38.2 Å²	38.2	52%	0.523	21%	0.211	S	C	.	.	H	α-helix	trans	-59.6	-44.4	-179.9	-70.3	172.5	0	0	0	110.8	I767 T774 S775	I767-I771 HydrophobicContact CG2-CD1 3.43Å; I767-I771 VanDerWaalsContact CG2-CD1 3.43Å; I767-I771 HydrophobicContact CG2-CG1 3.99Å; I767-I771 WeakPolarHBondContact O-CB 3.46Å; I767-I771 VanDerWaalsContact O-CG1 3.29Å; I767-I771 WeakPolarHBondContact O-CG1 3.41Å; I767-I771 PolarHBondContact O-N 2.94Å; I771-T774 PolarHBondContact O-N 3.3Å; I771-S775 WeakPolarHBondContact O-CB 3.27Å; I771-S775 PolarHBondContact O-N 2.95Å; I771-S775 PolarHBondContact O-OG 3.15Å
772	T	86.6	Confident	86.2	Confident	27 Å²	27	40 Å²	40	17%	0.166	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-48.6	-179.2	47.5	0	0	0	0	112.7	L464 A768 F769 Y770 T774 S775 V776	L464-T772 HydrophobicContact CD2-CG2 4.12Å; A768-T772 WeakPolarHBondContact O-CG2 3.34Å; A768-T772 PolarHBondContact O-N 2.81Å; A768-T772 VanDerWaalsContact O-N 3.1Å; A768-T772 PolarHBondContact O-OG1 3.47Å; F769-T772 WeakPolarHBondContact CA-OG1 3.5Å; F769-T772 PolarHBondContact O-OG1 3.34Å; Y770-T772 VanDerWaalsContact C-N 3.33Å; Y770-T772 PolarHBondContact O-N 2.79Å; T772-T774 VanDerWaalsContact C-N 3.3Å; T772-T774 PolarHBondContact O-N 2.76Å; T772-S775 PolarHBondContact O-N 3.2Å; T772-S775 PolarHBondContact O-OG 2.84Å; T772-V776 WeakPolarHBondContact O-CG2 3.18Å; T772-V776 PolarHBondContact O-N 3.48Å
773	F	87.9	Confident	86.4	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-71.8	-27.5	177.6	-66.9	-54.1	0	0	0	113.1	L461 F486 F616 A620 F769 Y770 Q777	L461-F773 HydrophobicContact CD2-CZ 4.09Å; F486-F773 AromaticContact CD2-CE2 3.9Å; F486-F773 HydrophobicContact CD2-CE2 3.9Å; F486-F773 HydrophobicContact CD2-CZ 4.03Å; F486-F773 HydrophobicContact CE1-CE2 4.39Å; F486-F773 AromaticContact CE2-CE2 3.52Å; F486-F773 HydrophobicContact CE2-CE2 3.52Å; F486-F773 HydrophobicContact CE2-CZ 4.14Å; F486-F773 HydrophobicContact CG-CZ 4.41Å; F486-F773 HydrophobicContact CZ-CD2 4.5Å; F486-F773 AromaticContact CZ-CE2 3.79Å; F486-F773 HydrophobicContact CZ-CE2 3.79Å; F616-F773 HydrophobicContact CB-CD1 3.88Å; F616-F773 HydrophobicContact CB-CD2 4.01Å; F616-F773 HydrophobicContact CB-CE1 3.87Å; F616-F773 HydrophobicContact CB-CE2 3.96Å; F616-F773 HydrophobicContact CB-CG 3.97Å; F616-F773 HydrophobicContact CB-CZ 3.9Å; F616-F773 HydrophobicContact CD2-CD1 4.32Å; F616-F773 AromaticContact CD2-CE1 3.64Å; F616-F773 HydrophobicContact CD2-CE1 3.64Å; F616-F773 AromaticContact CD2-CZ 3.85Å; F616-F773 HydrophobicContact CD2-CZ 3.85Å; F616-F773 HydrophobicContact CG-CE1 4.19Å; F616-F773 HydrophobicContact CG-CZ 4.18Å; A620-F773 HydrophobicContact CB-CD2 4.3Å; F769-F773 HydrophobicContact CB-CE2 4.5Å; F769-F773 AromaticContact CD1-CE2 3.77Å; F769-F773 HydrophobicContact CD1-CE2 3.77Å; F769-F773 HydrophobicContact CD1-CZ 4.43Å; F769-F773 WeakPolarHBondContact O-CD2 3.47Å; F769-F773 PolarHBondContact O-N 3.39Å; F769-F773 VanDerWaalsContact O-N 3.08Å; Y770-F773 PolarHBondContact O-N 3.42Å; F773-Q777 WeakPolarHBondContact O-CB 3.45Å; F773-Q777 PolarHBondContact O-N 3.18Å
774	T	87.3	Confident	86.5	Confident	8 Å²	8	40.4 Å²	40.4	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-43.1	173.4	-63.9	0	0	0	0	111.9	Y617 Y770 I771 T772 Q777 L778 L869	Y617-T774 HydrophobicContact CE2-CG2 4.37Å; Y617-T774 WeakPolarHBondContact CE2-OG1 3.26Å; Y770-T774 WeakPolarHBondContact O-CB 3.34Å; Y770-T774 PolarHBondContact O-N 3.1Å; Y770-T774 PolarHBondContact O-OG1 2.82Å; I771-T774 PolarHBondContact O-N 3.3Å; T772-T774 VanDerWaalsContact C-N 3.3Å; T772-T774 PolarHBondContact O-N 2.76Å; T774-Q777 PolarHBondContact O-N 3.17Å; T774-L778 HydrophobicContact CG2-CD1 4.2Å; T774-L778 HydrophobicContact CG2-CG 4.49Å; T774-L778 VanDerWaalsContact O-CG 3.32Å; T774-L778 WeakPolarHBondContact O-CG 3.33Å; T774-L778 PolarHBondContact O-N 3.2Å; T774-L869 HydrophobicContact CG2-CD2 3.08Å
775	S	86	Confident	86.5	Confident	57 Å²	57	42.7 Å²	42.7	40%	0.399	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-43.6	177.7	68	0	0	0	0	111.1	I771 T772 Q777 L778 I779	I771-S775 WeakPolarHBondContact O-CB 3.27Å; I771-S775 PolarHBondContact O-N 2.95Å; I771-S775 PolarHBondContact O-OG 3.15Å; T772-S775 PolarHBondContact O-N 3.2Å; T772-S775 PolarHBondContact O-OG 2.84Å; S775-Q777 PolarHBondContact O-N 3.14Å; S775-L778 PolarHBondContact O-N 3.19Å; S775-I779 WeakPolarHBondContact O-CG1 3.33Å; S775-I779 PolarHBondContact O-N 2.75Å; S775-I779 VanDerWaalsContact O-N 3.1Å
776	V	86.2	Confident	86.5	Confident	42 Å²	42	46.8 Å²	46.8	26%	0.255	25%	0.25	S	C	.	.	H	α-helix	trans	-60	-45.8	173.1	175.2	0	0	0	0	110.8	L613 T772 L778 I779 L780	L613-V776 HydrophobicContact CD1-CG1 3.78Å; L613-V776 HydrophobicContact CD2-CG1 4.5Å; T772-V776 WeakPolarHBondContact O-CG2 3.18Å; T772-V776 PolarHBondContact O-N 3.48Å; V776-L778 PolarHBondContact O-N 2.71Å; V776-I779 PolarHBondContact O-N 2.8Å; V776-L780 HydrophobicContact CG1-CD1 4.13Å; V776-L780 HydrophobicContact CG1-CG 4.44Å; V776-L780 WeakPolarHBondContact O-CG 3.47Å; V776-L780 PolarHBondContact O-N 3.41Å
777	Q	86.9	Confident	86.4	Confident	21 Å²	21	47.2 Å²	47.2	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-39.2	179.2	-175.9	63	17.8	0	0	112.5	Y617 F773 T774 S775 L780 L781	Y617-Q777 HydrophobicContact CD1-CG 4.11Å; Y617-Q777 HydrophobicContact CD2-CB 4.27Å; Y617-Q777 HydrophobicContact CD2-CG 4.48Å; Y617-Q777 HydrophobicContact CE1-CG 4.46Å; Y617-Q777 HydrophobicContact CG-CB 4.19Å; Y617-Q777 HydrophobicContact CG-CG 4.12Å; F773-Q777 WeakPolarHBondContact O-CB 3.45Å; F773-Q777 PolarHBondContact O-N 3.18Å; T774-Q777 PolarHBondContact O-N 3.17Å; S775-Q777 PolarHBondContact O-N 3.14Å; Q777-L780 PolarHBondContact O-N 3.21Å; Q777-L781 HydrophobicContact CG-CD1 4.17Å; Q777-L781 HydrophobicContact CG-CG 4.48Å; Q777-L781 WeakPolarHBondContact O-CB 3.38Å; Q777-L781 VanDerWaalsContact O-CG 3.28Å; Q777-L781 WeakPolarHBondContact O-CG 3.31Å; Q777-L781 PolarHBondContact O-N 3.41Å
778	L	85.8	Confident	86.2	Confident	62 Å²	62	49.8 Å²	49.8	33%	0.325	26%	0.261	S	S	.	.	H	α-helix	trans	-64.2	-41.9	176.2	-74	170.6	0	0	0	111.6	T774 S775 V776 L781 L782 I865 L869	T774-L778 HydrophobicContact CG2-CD1 4.2Å; T774-L778 HydrophobicContact CG2-CG 4.49Å; T774-L778 VanDerWaalsContact O-CG 3.32Å; T774-L778 WeakPolarHBondContact O-CG 3.33Å; T774-L778 PolarHBondContact O-N 3.2Å; S775-L778 PolarHBondContact O-N 3.19Å; V776-L778 PolarHBondContact O-N 2.71Å; L778-L781 PolarHBondContact O-N 2.66Å; L778-L782 WeakPolarHBondContact O-CB 3.4Å; L778-L782 PolarHBondContact O-N 2.86Å; L778-I865 HydrophobicContact CD2-CG2 3.94Å; L778-L869 HydrophobicContact CD1-CD1 4.31Å
779	I	87	Confident	86	Confident	100 Å²	100	52.4 Å²	52.4	51%	0.513	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-45.1	174.9	-66	165.1	0	0	0	110.2	S775 V776 L781 L782 I783	S775-I779 WeakPolarHBondContact O-CG1 3.33Å; S775-I779 PolarHBondContact O-N 2.75Å; S775-I779 VanDerWaalsContact O-N 3.1Å; V776-I779 PolarHBondContact O-N 2.8Å; I779-L781 PolarHBondContact O-N 2.92Å; I779-L782 WeakPolarHBondContact O-CB 3.24Å; I779-L782 PolarHBondContact O-N 3.2Å; I779-I783 HydrophobicContact CG2-CD1 3.93Å; I779-I783 WeakPolarHBondContact O-CG1 3.41Å; I779-I783 PolarHBondContact O-N 2.9Å
780	L	87	Confident	85.8	Confident	20 Å²	20	56 Å²	56	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-41.2	177.4	-70.8	177.2	0	0	0	112.6	T610 L613 V776 Q777 I783 K784	T610-L780 HydrophobicContact CG2-CD1 3.74Å; T610-L780 HydrophobicContact CG2-CD2 3.51Å; T610-L780 HydrophobicContact CG2-CG 4.25Å; L613-L780 HydrophobicContact CB-CD1 4.27Å; L613-L780 HydrophobicContact CD1-CD1 3.92Å; V776-L780 HydrophobicContact CG1-CD1 4.13Å; V776-L780 HydrophobicContact CG1-CG 4.44Å; V776-L780 WeakPolarHBondContact O-CG 3.47Å; V776-L780 PolarHBondContact O-N 3.41Å; Q777-L780 PolarHBondContact O-N 3.21Å; L780-I783 PolarHBondContact O-N 3.26Å; L780-K784 WeakPolarHBondContact O-CB 3.18Å; L780-K784 VanDerWaalsContact O-CG 3.24Å; L780-K784 WeakPolarHBondContact O-CG 3.26Å; L780-K784 PolarHBondContact O-N 3.4Å
781	L	85.3	Confident	85.4	Confident	62 Å²	62	56.3 Å²	56.3	33%	0.325	30%	0.301	S	S	.	.	H	α-helix	trans	-64.4	-39.8	175.5	-74.7	170.7	0	0	0	111.7	Q777 L778 I779 K784 N785 I875	Q777-L781 HydrophobicContact CG-CD1 4.17Å; Q777-L781 HydrophobicContact CG-CG 4.48Å; Q777-L781 WeakPolarHBondContact O-CB 3.38Å; Q777-L781 VanDerWaalsContact O-CG 3.28Å; Q777-L781 WeakPolarHBondContact O-CG 3.31Å; Q777-L781 PolarHBondContact O-N 3.41Å; L778-L781 PolarHBondContact O-N 2.66Å; I779-L781 PolarHBondContact O-N 2.92Å; L781-K784 PolarHBondContact O-N 3.46Å; L781-N785 VanDerWaalsContact O-CB 3.28Å; L781-N785 WeakPolarHBondContact O-CB 3.22Å; L781-N785 PolarHBondContact O-N 3.18Å; L781-I875 HydrophobicContact CD1-CG2 3.9Å
782	L	85.7	Confident	84.8	Confident	108 Å²	108	57.5 Å²	57.5	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-59.9	-50.1	174.4	-174.1	80.9	0	0	0	110.9	L778 I779 K784 N785 I786	L778-L782 WeakPolarHBondContact O-CB 3.4Å; L778-L782 PolarHBondContact O-N 2.86Å; I779-L782 WeakPolarHBondContact O-CB 3.24Å; I779-L782 PolarHBondContact O-N 3.2Å; L782-K784 PolarHBondContact O-N 3.01Å; L782-N785 PolarHBondContact O-N 2.82Å; L782-I786 HydrophobicContact CD2-CD1 4.36Å; L782-I786 HydrophobicContact CG-CD1 3.96Å; L782-I786 VanDerWaalsContact O-CG1 3.3Å; L782-I786 WeakPolarHBondContact O-CG1 3.17Å; L782-I786 PolarHBondContact O-N 2.91Å
783	I	86.6	Confident	84.5	Confident	72 Å²	72	61.1 Å²	61.1	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-47.5	178.5	-66.2	165.7	0	0	0	110.5	I606 I779 L780 N785 I786 L787	I606-I783 HydrophobicContact CD1-CG2 4.31Å; I779-I783 HydrophobicContact CG2-CD1 3.93Å; I779-I783 WeakPolarHBondContact O-CG1 3.41Å; I779-I783 PolarHBondContact O-N 2.9Å; L780-I783 PolarHBondContact O-N 3.26Å; I783-N785 VanDerWaalsContact C-N 3.3Å; I783-N785 PolarHBondContact O-N 3.41Å; I783-I786 PolarHBondContact O-N 3.49Å; I783-L787 WeakPolarHBondContact O-CB 3.32Å; I783-L787 PolarHBondContact O-N 2.86Å
784	K	86.9	Confident	84	Confident	26 Å²	26	62.8 Å²	62.8	11%	0.113	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-39.6	177.4	-72.7	176.9	-176.9	-172.1	0	111.8	L603 L780 L781 L782 K788	L603-K784 HydrophobicContact CD1-CB 4.19Å; L603-K784 HydrophobicContact CD1-CG 3.98Å; L780-K784 WeakPolarHBondContact O-CB 3.18Å; L780-K784 VanDerWaalsContact O-CG 3.24Å; L780-K784 WeakPolarHBondContact O-CG 3.26Å; L780-K784 PolarHBondContact O-N 3.4Å; L781-K784 PolarHBondContact O-N 3.46Å; L782-K784 PolarHBondContact O-N 3.01Å; K784-K788 WeakPolarHBondContact O-CB 3.43Å; K784-K788 VanDerWaalsContact O-CG 3.3Å; K784-K788 WeakPolarHBondContact O-CG 3.17Å; K784-K788 PolarHBondContact O-N 3.17Å
785	N	83.9	Confident	83.4	Confident	90 Å²	90	65.1 Å²	65.1	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-69.7	-41.5	178.7	-169	54.7	0	0	0	112.2	L781 L782 I783 K788 S789	L781-N785 VanDerWaalsContact O-CB 3.28Å; L781-N785 WeakPolarHBondContact O-CB 3.22Å; L781-N785 PolarHBondContact O-N 3.18Å; L782-N785 PolarHBondContact O-N 2.82Å; I783-N785 VanDerWaalsContact C-N 3.3Å; I783-N785 PolarHBondContact O-N 3.41Å; N785-K788 PolarHBondContact O-N 3.35Å; N785-S789 VanDerWaalsContact O-CB 3.32Å; N785-S789 WeakPolarHBondContact O-CB 3.36Å; N785-S789 PolarHBondContact O-N 2.67Å
786	I	85.1	Confident	82.9	Confident	87 Å²	87	63.1 Å²	63.1	45%	0.446	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-47.3	173.6	-68.2	165.6	0	0	0	109.9	L782 I783 K788 S789 L790	L782-I786 HydrophobicContact CD2-CD1 4.36Å; L782-I786 HydrophobicContact CG-CD1 3.96Å; L782-I786 VanDerWaalsContact O-CG1 3.3Å; L782-I786 WeakPolarHBondContact O-CG1 3.17Å; L782-I786 PolarHBondContact O-N 2.91Å; I783-I786 PolarHBondContact O-N 3.49Å; I786-K788 PolarHBondContact O-N 2.91Å; I786-S789 WeakPolarHBondContact O-CB 3.36Å; I786-S789 PolarHBondContact O-N 2.89Å; I786-L790 HydrophobicContact CG2-CD1 4.12Å; I786-L790 HydrophobicContact CG2-CG 4.43Å; I786-L790 WeakPolarHBondContact O-CG 3.04Å; I786-L790 PolarHBondContact O-N 2.91Å
787	L	84.2	Confident	82.5	Confident	11 Å²	11	63.4 Å²	63.4	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-43	-179.6	-171.9	57.3	0	0	0	112.1	L599 L602 L603 I606 I783 L790 I791	L599-L787 HydrophobicContact CB-CD1 3.99Å; L599-L787 HydrophobicContact CD1-CD1 4.37Å; L599-L787 HydrophobicContact CD2-CD1 3.61Å; L599-L787 HydrophobicContact CG-CD1 4.19Å; L602-L787 HydrophobicContact CB-CD2 4.34Å; L602-L787 HydrophobicContact CD2-CD1 4.21Å; L602-L787 HydrophobicContact CD2-CD2 4.24Å; L602-L787 HydrophobicContact CG-CD2 4.15Å; L603-L787 HydrophobicContact CB-CD2 3.67Å; L603-L787 HydrophobicContact CB-CG 4.41Å; L603-L787 HydrophobicContact CD1-CD2 3.9Å; L603-L787 HydrophobicContact CD1-CG 4.46Å; L603-L787 HydrophobicContact CG-CD2 4.38Å; I606-L787 HydrophobicContact CD1-CD2 4.09Å; I783-L787 WeakPolarHBondContact O-CB 3.32Å; I783-L787 PolarHBondContact O-N 2.86Å; L787-L790 PolarHBondContact O-N 2.86Å; L787-I791 WeakPolarHBondContact O-CG1 3.42Å; L787-I791 PolarHBondContact O-N 3.35Å
788	K	82.9	Confident	82	Confident	108 Å²	108	62.9 Å²	62.9	47%	0.47	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-45.6	171.8	-75.3	176.8	-178.8	-176.9	0	111.5	L603 K784 N785 I786 L790 I791 W792	L603-K788 HydrophobicContact CD2-CG 4.06Å; K784-K788 WeakPolarHBondContact O-CB 3.43Å; K784-K788 VanDerWaalsContact O-CG 3.3Å; K784-K788 WeakPolarHBondContact O-CG 3.17Å; K784-K788 PolarHBondContact O-N 3.17Å; N785-K788 PolarHBondContact O-N 3.35Å; I786-K788 PolarHBondContact O-N 2.91Å; K788-L790 VanDerWaalsContact C-N 3.31Å; K788-L790 PolarHBondContact O-N 3.44Å; K788-I791 WeakPolarHBondContact O-CB 3.46Å; K788-I791 PolarHBondContact O-N 3.36Å; K788-W792 PolarHBondContact O-N 2.77Å
789	S	80.8	Confident	81.4	Confident	69 Å²	69	61.6 Å²	61.6	48%	0.483	31%	0.307	S	S	.	.	H	α-helix	trans	-58.7	-42.4	176.7	-170.4	0	0	0	0	111.8	N785 I786 W792 F793	N785-S789 VanDerWaalsContact O-CB 3.32Å; N785-S789 WeakPolarHBondContact O-CB 3.36Å; N785-S789 PolarHBondContact O-N 2.67Å; I786-S789 WeakPolarHBondContact O-CB 3.36Å; I786-S789 PolarHBondContact O-N 2.89Å; S789-W792 PolarHBondContact O-N 2.97Å; S789-F793 WeakPolarHBondContact O-CB 3.25Å; S789-F793 PolarHBondContact O-N 3.18Å
790	L	82.8	Confident	80.6	Confident	81 Å²	81	58.7 Å²	58.7	42%	0.424	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-41.9	175	-71.5	172.8	0	0	0	112.4	L599 I786 L787 K788 W792 F793 I794	L599-L790 HydrophobicContact CD1-CB 4.12Å; I786-L790 HydrophobicContact CG2-CD1 4.12Å; I786-L790 HydrophobicContact CG2-CG 4.43Å; I786-L790 WeakPolarHBondContact O-CG 3.04Å; I786-L790 PolarHBondContact O-N 2.91Å; L787-L790 PolarHBondContact O-N 2.86Å; K788-L790 VanDerWaalsContact C-N 3.31Å; K788-L790 PolarHBondContact O-N 3.44Å; L790-W792 VanDerWaalsContact C-N 3.35Å; L790-W792 PolarHBondContact O-N 3.15Å; L790-F793 PolarHBondContact O-N 3.34Å; L790-I794 VanDerWaalsContact O-CG1 3.31Å; L790-I794 WeakPolarHBondContact O-CG1 3.14Å; L790-I794 PolarHBondContact O-N 3.14Å
791	I	80.6	Confident	79.9	Confident	25 Å²	25	57.9 Å²	57.9	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-47.7	175.2	-68.2	161.8	0	0	0	110.4	L599 L787 K788 I794 M795	L599-I791 HydrophobicContact CB-CD1 4.02Å; L599-I791 HydrophobicContact CB-CG1 3.55Å; L599-I791 HydrophobicContact CD1-CG1 3.9Å; L599-I791 HydrophobicContact CG-CG1 4.42Å; L787-I791 WeakPolarHBondContact O-CG1 3.42Å; L787-I791 PolarHBondContact O-N 3.35Å; K788-I791 WeakPolarHBondContact O-CB 3.46Å; K788-I791 PolarHBondContact O-N 3.36Å; I791-I794 PolarHBondContact O-N 2.88Å; I791-M795 WeakPolarHBondContact O-CB 3.29Å; I791-M795 WeakPolarHBondContact O-CG 3.39Å; I791-M795 PolarHBondContact O-N 3.27Å
792	W	75.3	Confident	79.6	Confident	126 Å²	126	56.5 Å²	56.5	48%	0.477	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-46.8	176.4	-77.6	106.6	0	0	0	111.6	K788 S789 L790 I794 M795 D796 L850	K788-W792 PolarHBondContact O-N 2.77Å; S789-W792 PolarHBondContact O-N 2.97Å; L790-W792 VanDerWaalsContact C-N 3.35Å; L790-W792 PolarHBondContact O-N 3.15Å; W792-I794 PolarHBondContact O-N 2.96Å; W792-M795 PolarHBondContact O-N 3.39Å; W792-D796 WeakPolarHBondContact O-CB 3.19Å; W792-D796 PolarHBondContact O-N 3.07Å; W792-L850 HydrophobicContact CE3-CD1 3.62Å; W792-L850 HydrophobicContact CZ3-CD1 3.65Å
793	F	79.5	Confident	79.1	Confident	103 Å²	103	53.4 Å²	53.4	45%	0.452	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-46.3	178	178	-100.8	0	0	0	112.2	S789 L790 M795 D796 F797	S789-F793 WeakPolarHBondContact O-CB 3.25Å; S789-F793 PolarHBondContact O-N 3.18Å; L790-F793 PolarHBondContact O-N 3.34Å; F793-M795 VanDerWaalsContact C-N 3.34Å; F793-M795 PolarHBondContact O-N 3.49Å; F793-D796 PolarHBondContact O-N 3.45Å; F793-F797 HydrophobicContact CE1-CD2 4.32Å; F793-F797 AromaticContact CZ-CD2 3.99Å; F793-F797 HydrophobicContact CZ-CD2 3.99Å; F793-F797 HydrophobicContact CZ-CE2 4.38Å; F793-F797 WeakPolarHBondContact O-CB 3.29Å; F793-F797 PolarHBondContact O-N 2.9Å
794	I	79	Confident	78.5	Confident	40 Å²	40	50.6 Å²	50.6	21%	0.205	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-38.2	178.8	-69.3	173.9	0	0	0	111.5	R592 F595 L599 L790 I791 W792	R592-I794 HydrophobicContact CB-CG2 4.49Å; R592-I794 WeakPolarHBondContact CD-O 3.27Å; R592-I794 WeakPolarHBondContact CG-O 3.49Å; F595-I794 HydrophobicContact CB-CD1 4.24Å; F595-I794 HydrophobicContact CB-CG2 4.01Å; L599-I794 HydrophobicContact CD1-CD1 3.5Å; L599-I794 VanDerWaalsContact CD1-CD1 3.5Å; L790-I794 VanDerWaalsContact O-CG1 3.31Å; L790-I794 WeakPolarHBondContact O-CG1 3.14Å; L790-I794 PolarHBondContact O-N 3.14Å; I791-I794 PolarHBondContact O-N 2.88Å; W792-I794 PolarHBondContact O-N 2.96Å
795	M	74.2	Confident	77.9	Confident	58 Å²	58	51.3 Å²	51.3	29%	0.286	25%	0.254	S	S	.	.	H	α-helix	trans	-70.1	-32.1	178.5	-76.1	-61.5	-66.1	0	0	113.2	R592 L593 S596 I791 W792 F793	R592-M795 HydrophobicContact CB-SD 4.47Å; R592-M795 PolarHBondContact NH1-O 3.21Å; L593-M795 HydrophobicContact CD2-CE 4.41Å; L593-M795 HydrophobicContact CD2-SD 4.49Å; S596-M795 WeakPolarHBondContact OG-CG 3.49Å; S596-M795 PolarHBondContact OG-SD 3.08Å; I791-M795 WeakPolarHBondContact O-CB 3.29Å; I791-M795 WeakPolarHBondContact O-CG 3.39Å; I791-M795 PolarHBondContact O-N 3.27Å; W792-M795 PolarHBondContact O-N 3.39Å; F793-M795 VanDerWaalsContact C-N 3.34Å; F793-M795 PolarHBondContact O-N 3.49Å
796	D	74.7	Confident	77.7	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.08	26%	0.258	C	S	.	.	H	α-helix	trans	-83.6	-22.4	178.5	-133.7	-22	0	0	0	113.8	W792 F793 P798 H848 L849 L850	W792-D796 WeakPolarHBondContact O-CB 3.19Å; W792-D796 PolarHBondContact O-N 3.07Å; F793-D796 PolarHBondContact O-N 3.45Å; D796-P798 WeakPolarHBondContact O-CD 3.38Å; D796-H848 IonicContact OD1-CD2 3.92Å; D796-H848 IonicContact OD1-CE1 3.01Å; D796-H848 PolarHBondContact OD1-CE1 2.84Å; D796-H848 IonicContact OD1-CG 2.72Å; D796-H848 IonicContact OD1-ND1 3.01Å; D796-H848 PolarHBondContact OD1-ND1 2.81Å; D796-H848 VanDerWaalsContact OD1-ND1 3.08Å; D796-H848 IonicContact OD1-NE2 2.77Å; D796-H848 IonicContact OD2-CE1 3.91Å; D796-H848 PolarHBondContact OD2-CE1 3.28Å; D796-H848 IonicContact OD2-CG 3.05Å; D796-H848 IonicContact OD2-ND1 2.71Å; D796-H848 PolarHBondContact OD2-ND1 2.85Å; D796-H848 IonicContact OD2-NE2 3.6Å; D796-H848 PolarHBondContact OD2-NE2 3.43Å; D796-L849 PolarHBondContact OD1-N 3.1Å; D796-L850 HydrophobicContact CB-CD1 4.39Å; D796-L850 PolarHBondContact OD1-N 3.41Å; D796-L850 WeakPolarHBondContact OD2-CB 3.42Å
797	F	78.7	Confident	77.3	Confident	48 Å²	48	53.5 Å²	53.5	21%	0.211	27%	0.265	C	S	.	.			trans	-58.1	120.2	-172.2	-168.7	-103.9	0	0	0	111.5	F793 L799 L802	F793-F797 HydrophobicContact CE1-CD2 4.32Å; F793-F797 AromaticContact CZ-CD2 3.99Å; F793-F797 HydrophobicContact CZ-CD2 3.99Å; F793-F797 HydrophobicContact CZ-CE2 4.38Å; F793-F797 WeakPolarHBondContact O-CB 3.29Å; F793-F797 PolarHBondContact O-N 2.9Å; F797-L799 VanDerWaalsContact C-N 3.28Å; F797-L799 HydrophobicContact CD1-CB 4.15Å; F797-L799 HydrophobicContact CD1-CD1 4.02Å; F797-L799 HydrophobicContact CE1-CB 4.44Å; F797-L799 HydrophobicContact CE1-CD1 3.74Å; F797-L799 PolarHBondContact O-N 2.85Å; F797-L802 HydrophobicContact CE1-CD2 3.89Å; F797-L802 HydrophobicContact CZ-CD1 4.39Å; F797-L802 HydrophobicContact CZ-CD2 3.83Å
798	P	75.1	Confident	76.6	Confident	10 Å²	10	57.3 Å²	57.3	7%	0.065	29%	0.286	C	S	.	.			trans	-85.8	72.5	-175.1	36.8	-37.5	0	0	0	110.3	D796 E800 S801 L802 M843 Y844 N847	D796-P798 WeakPolarHBondContact O-CD 3.38Å; P798-E800 VanDerWaalsContact C-N 3.27Å; P798-E800 PolarHBondContact O-N 3.34Å; P798-S801 VanDerWaalsContact CB-OG 3.3Å; P798-S801 WeakPolarHBondContact CB-OG 3.47Å; P798-S801 PolarHBondContact O-N 2.85Å; P798-S801 PolarHBondContact O-OG 3.39Å; P798-L802 PolarHBondContact O-N 3.47Å; P798-M843 HydrophobicContact CG-CE 4.46Å; P798-Y844 HydrophobicContact CG-CD2 4.33Å; P798-N847 HydrophobicContact CB-CB 3.9Å; P798-N847 WeakPolarHBondContact CB-O 3.27Å; P798-N847 HydrophobicContact CG-CB 4.34Å
799	L	74.7	Confident	75.9	Confident	35 Å²	35	54 Å²	54	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-37.1	-177.2	-165.8	80	0	0	0	112.1	S588 I591 F797 L802 V803	S588-L799 WeakPolarHBondContact OG-CB 3.14Å; I591-L799 HydrophobicContact CD1-CD2 4.26Å; F797-L799 VanDerWaalsContact C-N 3.28Å; F797-L799 HydrophobicContact CD1-CB 4.15Å; F797-L799 HydrophobicContact CD1-CD1 4.02Å; F797-L799 HydrophobicContact CE1-CB 4.44Å; F797-L799 HydrophobicContact CE1-CD1 3.74Å; F797-L799 PolarHBondContact O-N 2.85Å; L799-L802 PolarHBondContact O-N 3.42Å; L799-V803 VanDerWaalsContact O-CG2 3.29Å; L799-V803 WeakPolarHBondContact O-CG2 3.34Å; L799-V803 PolarHBondContact O-N 2.9Å
800	E	70.1	Confident	75.1	Confident	38 Å²	38	54.5 Å²	54.5	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-48.1	178.3	-176.2	-171.1	155.2	0	0	111.5	K581 L584 M585 P798 L802 V803 C804	K581-E800 WeakPolarHBondContact CE-OE1 3.49Å; K581-E800 WeakPolarHBondContact CG-OE1 3.13Å; L584-E800 HydrophobicContact CB-CG 4.28Å; M585-E800 WeakPolarHBondContact CB-OE2 3.34Å; P798-E800 VanDerWaalsContact C-N 3.27Å; P798-E800 PolarHBondContact O-N 3.34Å; E800-L802 VanDerWaalsContact C-N 3.32Å; E800-L802 PolarHBondContact O-N 3.36Å; E800-V803 PolarHBondContact O-N 2.96Å; E800-C804 WeakPolarHBondContact O-CB 3.18Å; E800-C804 PolarHBondContact O-N 3.46Å; E800-C804 PolarHBondContact O-SG 3.14Å
801	S	72.6	Confident	74	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-68.7	-35.2	179.1	69.4	0	0	0	0	111.5	P798 W805 Y812 N847	P798-S801 VanDerWaalsContact CB-OG 3.3Å; P798-S801 WeakPolarHBondContact CB-OG 3.47Å; P798-S801 PolarHBondContact O-N 2.85Å; P798-S801 PolarHBondContact O-OG 3.39Å; S801-W805 WeakPolarHBondContact O-CB 3.42Å; S801-W805 PolarHBondContact O-N 3.42Å; S801-Y812 VanDerWaalsContact CA-OH 3.3Å; S801-Y812 WeakPolarHBondContact CA-OH 3.2Å; S801-Y812 WeakPolarHBondContact CB-OH 3.35Å; S801-N847 WeakPolarHBondContact OG-CB 3.36Å
802	L	78.6	Confident	73.1	Confident	32 Å²	32	54.2 Å²	54.2	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-48.6	174.7	-173.2	87.2	0	0	0	111.4	F797 P798 L799 E800 W805 L806 F840	F797-L802 HydrophobicContact CE1-CD2 3.89Å; F797-L802 HydrophobicContact CZ-CD1 4.39Å; F797-L802 HydrophobicContact CZ-CD2 3.83Å; P798-L802 PolarHBondContact O-N 3.47Å; L799-L802 PolarHBondContact O-N 3.42Å; E800-L802 VanDerWaalsContact C-N 3.32Å; E800-L802 PolarHBondContact O-N 3.36Å; L802-W805 PolarHBondContact O-N 2.8Å; L802-L806 HydrophobicContact CD2-CD1 4.26Å; L802-L806 HydrophobicContact CG-CD1 4.11Å; L802-L806 WeakPolarHBondContact O-CB 3.12Å; L802-L806 VanDerWaalsContact O-CG 3.31Å; L802-L806 WeakPolarHBondContact O-CG 3.23Å; L802-L806 PolarHBondContact O-N 3.47Å; L802-F840 HydrophobicContact CD1-CD2 4.4Å; L802-F840 HydrophobicContact CD1-CE2 3.66Å
803	V	75.9	Confident	72.3	Confident	43 Å²	43	51.4 Å²	51.4	26%	0.261	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-45.1	179.5	171.5	0	0	0	0	110.3	L584 L799 E800 W805 L806 L807	L584-V803 HydrophobicContact CD1-CG1 4.27Å; L584-V803 HydrophobicContact CD2-CG1 3.99Å; L799-V803 VanDerWaalsContact O-CG2 3.29Å; L799-V803 WeakPolarHBondContact O-CG2 3.34Å; L799-V803 PolarHBondContact O-N 2.9Å; E800-V803 PolarHBondContact O-N 2.96Å; V803-W805 VanDerWaalsContact C-N 3.34Å; V803-W805 PolarHBondContact O-N 2.83Å; V803-L806 PolarHBondContact O-N 3.42Å; V803-L807 HydrophobicContact CG1-CD1 3.82Å; V803-L807 HydrophobicContact CG1-CG 4.45Å; V803-L807 WeakPolarHBondContact O-CB 3.41Å; V803-L807 VanDerWaalsContact O-CG 3.27Å; V803-L807 WeakPolarHBondContact O-CG 3.12Å; V803-L807 PolarHBondContact O-N 2.87Å
804	C	72.9	Confident	71.5	Confident	14 Å²	14	49.8 Å²	49.8	10%	0.095	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-35.1	177.2	-64.8	0	0	0	0	112.9	E800 N808 S809 Y812	E800-C804 WeakPolarHBondContact O-CB 3.18Å; E800-C804 PolarHBondContact O-N 3.46Å; E800-C804 PolarHBondContact O-SG 3.14Å; C804-N808 PolarHBondContact O-N 2.76Å; C804-S809 WeakPolarHBondContact O-CB 3.41Å; C804-S809 PolarHBondContact O-N 3.2Å; C804-S809 VanDerWaalsContact O-N 3.1Å; C804-Y812 HydrophobicContact CB-CD2 3.56Å; C804-Y812 HydrophobicContact CB-CE2 3.16Å
805	W	75	Confident	70.4	Confident	41 Å²	41	51.7 Å²	51.7	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-43.5	174.2	179.3	84.8	0	0	0	110.7	S801 L802 V803 N808 R837 I838 F840 M843	S801-W805 WeakPolarHBondContact O-CB 3.42Å; S801-W805 PolarHBondContact O-N 3.42Å; L802-W805 PolarHBondContact O-N 2.8Å; V803-W805 VanDerWaalsContact C-N 3.34Å; V803-W805 PolarHBondContact O-N 2.83Å; W805-N808 PolarHBondContact O-N 3.05Å; W805-R837 VanDerWaalsContact C-NH2 3.32Å; W805-R837 VanDerWaalsContact NE1-NE 3.18Å; W805-R837 VanDerWaalsContact O-CZ 3.25Å; W805-R837 PolarHBondContact O-NE 3Å; W805-R837 VanDerWaalsContact O-NE 3.16Å; W805-R837 PolarHBondContact O-NH2 2.72Å; W805-I838 PolarHBondContact NE1-O 2.88Å; W805-F840 HydrophobicContact CH2-CB 4.26Å; W805-F840 HydrophobicContact CH2-CD2 4.39Å; W805-F840 HydrophobicContact CZ2-CB 4.04Å; W805-F840 HydrophobicContact CZ3-CD2 4.31Å; W805-M843 HydrophobicContact CB-CG 4.35Å; W805-M843 HydrophobicContact CB-SD 3.68Å; W805-M843 HydrophobicContact CD2-SD 4.34Å; W805-M843 HydrophobicContact CG-CG 4.33Å; W805-M843 HydrophobicContact CG-SD 3.82Å
806	L	79	Confident	69.8	Low	109 Å²	109	54.4 Å²	54.4	57%	0.571	29%	0.29	S	S	*	.	H	α-helix	trans	-63.7	-39.6	176.3	-76.9	170.8	0	0	0	112.4	L802 V803 N808	L802-L806 HydrophobicContact CD2-CD1 4.26Å; L802-L806 HydrophobicContact CG-CD1 4.11Å; L802-L806 WeakPolarHBondContact O-CB 3.12Å; L802-L806 VanDerWaalsContact O-CG 3.31Å; L802-L806 WeakPolarHBondContact O-CG 3.23Å; L802-L806 PolarHBondContact O-N 3.47Å; V803-L806 PolarHBondContact O-N 3.42Å; L806-N808 PolarHBondContact O-N 2.95Å
807	L	76.8	Confident	69.5	Low	114 Å²	114	56.2 Å²	56.2	60%	0.597	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	5.9	178.1	-66.3	173.6	0	0	0	113.8	V803 S809	V803-L807 HydrophobicContact CG1-CD1 3.82Å; V803-L807 HydrophobicContact CG1-CG 4.45Å; V803-L807 WeakPolarHBondContact O-CB 3.41Å; V803-L807 VanDerWaalsContact O-CG 3.27Å; V803-L807 WeakPolarHBondContact O-CG 3.12Å; V803-L807 PolarHBondContact O-N 2.87Å; L807-S809 PolarHBondContact O-N 2.79Å
808	N	69.4	Low	68.9	Low	91 Å²	91	58.9 Å²	58.9	49%	0.487	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.4	-178.1	-165.6	27	0	0	0	113	C804 W805 L806 Q813	C804-N808 PolarHBondContact O-N 2.76Å; W805-N808 PolarHBondContact O-N 3.05Å; L806-N808 PolarHBondContact O-N 2.95Å; N808-Q813 PolarHBondContact OD1-NE2 3.17Å; N808-Q813 VanDerWaalsContact OD1-NE2 3.16Å
809	S	68.2	Low	68.5	Low	38 Å²	38	62 Å²	62	27%	0.266	33%	0.33	S	S	.	.			trans	-64.2	141.3	179.7	-179.4	0	0	0	0	111.1	C804 L807 N811 Y812	C804-S809 WeakPolarHBondContact O-CB 3.41Å; C804-S809 PolarHBondContact O-N 3.2Å; C804-S809 VanDerWaalsContact O-N 3.1Å; L807-S809 PolarHBondContact O-N 2.79Å; S809-N811 PolarHBondContact O-N 2.98Å; S809-Y812 PolarHBondContact O-N 3.37Å
810	S	64	Low	67.9	Low	80 Å²	80	66.2 Å²	66.2	56%	0.559	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-55.1	-21.7	179	57.8	0	0	0	0	113.8	Y812 Q813	S810-Y812 VanDerWaalsContact C-N 3.32Å; S810-Y812 PolarHBondContact O-N 2.85Å; S810-Q813 PolarHBondContact O-N 2.84Å
811	N	60.4	Low	67.3	Low	68 Å²	68	66.9 Å²	66.9	36%	0.364	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-73.6	-18.8	178.4	-68.5	-21.6	0	0	0	114.2	S809	S809-N811 PolarHBondContact O-N 2.98Å
812	Y	60.3	Low	66.6	Low	32 Å²	32	77.6 Å²	77.6	13%	0.125	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-107.2	8.8	178.3	-69.4	-86.8	0	0	0	112.7	S801 C804 S809 S810 T814 I838 M843	S801-Y812 VanDerWaalsContact CA-OH 3.3Å; S801-Y812 WeakPolarHBondContact CA-OH 3.2Å; S801-Y812 WeakPolarHBondContact CB-OH 3.35Å; C804-Y812 HydrophobicContact CB-CD2 3.56Å; C804-Y812 HydrophobicContact CB-CE2 3.16Å; S809-Y812 PolarHBondContact O-N 3.37Å; S810-Y812 VanDerWaalsContact C-N 3.32Å; S810-Y812 PolarHBondContact O-N 2.85Å; Y812-T814 PolarHBondContact O-N 3.32Å; Y812-I838 WeakPolarHBondContact O-CG1 3.33Å; Y812-I838 PolarHBondContact O-N 2.57Å; Y812-M843 HydrophobicContact CD1-CG 4.28Å; Y812-M843 HydrophobicContact CE1-CG 4.29Å
813	Q	59.1	Low	65.5	Low	66 Å²	66	84.2 Å²	84.2	31%	0.308	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	84.7	166.6	-64.7	-179.3	-2.4	0	0	106.7	N808 S810 V835	N808-Q813 PolarHBondContact OD1-NE2 3.17Å; N808-Q813 VanDerWaalsContact OD1-NE2 3.16Å; S810-Q813 PolarHBondContact O-N 2.84Å; Q813-V835 HydrophobicContact CB-CB 4.34Å; Q813-V835 HydrophobicContact CB-CG1 3.59Å; Q813-V835 WeakPolarHBondContact O-CG1 2.85Å
814	T	62.6	Low	64.4	Low	70 Å²	70	88.5 Å²	88.5	43%	0.429	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-9.4	178.8	67	0	0	0	0	112.8	Y812 L816 I838	Y812-T814 PolarHBondContact O-N 3.32Å; T814-L816 PolarHBondContact O-N 3.31Å; T814-I838 HydrophobicContact CG2-CD1 4.15Å; T814-I838 WeakPolarHBondContact OG1-CD1 3.38Å; T814-I838 WeakPolarHBondContact OG1-CG1 3.39Å
815	K	56.9	Low	63	Low	79 Å²	79	92.9 Å²	92.9	34%	0.343	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	100.8	-178	-169.2	171.3	-175.6	164.9	0	109.8	V817 T836 D839	K815-V817 HydrophobicContact CG-CG2 4.25Å; K815-V817 PolarHBondContact O-N 3.44Å; K815-T836 WeakPolarHBondContact CB-OG1 3.1Å; K815-T836 PolarHBondContact N-O 3.06Å; K815-T836 PolarHBondContact O-N 2.92Å; K815-T836 PolarHBondContact O-OG1 2.78Å; K815-D839 IonicContact NZ-OD2 3.65Å; K815-D839 PolarHBondContact NZ-OD2 2.92Å
816	L	61.9	Low	61.9	Low	116 Å²	116	100.5 Å²	100.5	61%	0.607	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	115.2	173.2	-77.1	157.2	0	0	0	109.7	T814 L833 V835	T814-L816 PolarHBondContact O-N 3.31Å; L816-L833 HydrophobicContact CB-CD2 4.35Å; L816-L833 HydrophobicContact CD2-CD2 3.91Å; L816-V835 HydrophobicContact CD2-CG2 3.97Å
817	V	68.2	Low	60.8	Low	52 Å²	52	105.6 Å²	105.6	32%	0.315	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.7	175	177.3	0	0	0	0	108.2	K815 K834 T836	K815-V817 HydrophobicContact CG-CG2 4.25Å; K815-V817 PolarHBondContact O-N 3.44Å; V817-K834 PolarHBondContact N-O 3Å; V817-K834 PolarHBondContact O-N 2.82Å; V817-T836 HydrophobicContact CB-CG2 3.94Å; V817-T836 HydrophobicContact CG2-CG2 3.76Å; V817-T836 WeakPolarHBondContact CG2-OG1 3.25Å
818	L	66.2	Low	59.9	Low	105 Å²	105	108.8 Å²	108.8	55%	0.55	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.5	169	-78	108.8	0	0	0	108.8	L831 L833	L818-L831 HydrophobicContact CB-CD2 4.49Å; L818-L831 HydrophobicContact CD2-CB 4.27Å; L818-L831 HydrophobicContact CD2-CD2 3.36Å; L818-L831 HydrophobicContact CD2-CG 4.36Å; L818-L833 HydrophobicContact CD1-CD2 4.27Å; L818-L833 HydrophobicContact CG-CD2 4.14Å; L818-L833 HydrophobicContact CG-CG 4.32Å
819	E	65.2	Low	59.3	Low	75 Å²	75	109.1 Å²	109.1	35%	0.35	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.3	128.3	169	-79.1	-179	171.2	0	0	109	Q832 K834	E819-Q832 PolarHBondContact N-O 3.5Å; E819-K834 VanDerWaalsContact CD-CD 3.46Å; E819-K834 HydrophobicContact CG-CD 4.39Å; E819-K834 WeakPolarHBondContact OE1-CD 3.49Å; E819-K834 IonicContact OE1-NZ 3.61Å; E819-K834 PolarHBondContact OE1-NZ 3.27Å; E819-K834 IonicContact OE2-NZ 3.7Å
820	T	62.6	Low	59	Low	123 Å²	123	115.2 Å²	115.2	76%	0.755	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-68.6	134.6	171.3	51.9	0	0	0	0	109.4	R822	T820-R822 PolarHBondContact O-N 3.01Å
821	P	58.4	Low	58.8	Low	52 Å²	52	117.4 Å²	117.4	34%	0.338	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-63.4	136.6	-177.5	20.9	-26.8	0	0	0	110.9	I823 P829	P821-I823 PolarHBondContact O-N 3.44Å; P821-P829 HydrophobicContact CB-CB 4.06Å; P821-P829 HydrophobicContact CG-CB 3.49Å; P821-P829 VanDerWaalsContact CG-CB 3.49Å
822	R	56.7	Low	58.9	Low	229 Å²	229	120.2 Å²	120.2	86%	0.864	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-65.9	128.3	170.2	-74.7	-176.9	179	167.9	-0.6	108.8	T820 D824	T820-R822 PolarHBondContact O-N 3.01Å; R822-D824 PolarHBondContact O-N 2.8Å
823	I	56.9	Low	59.1	Low	172 Å²	172	124 Å²	124	88%	0.882	62%	0.615	S	S	*	*			trans	-77.8	72	-179.8	-52	170.5	0	0	0	108	P821	P821-I823 PolarHBondContact O-N 3.44Å
824	D	51.8	Low	59.5	Low	133 Å²	133	125.3 Å²	125.3	71%	0.711	62%	0.619	S	S	*	*			trans	-130.8	99.4	175.5	-75.1	-40.1	0	0	0	110.5	R822	R822-D824 PolarHBondContact O-N 2.8Å
825	S	43.5	Very low	59.7	Low	106 Å²	106	125.1 Å²	125.1	74%	0.741	62%	0.618	S	S	*	*	S	Bend	trans	48	121	159.7	70	0	0	0	0	121
826	K	53	Low	60.3	Low	201 Å²	201	123.1 Å²	123.1	87%	0.874	61%	0.613	S	S	*	*	S	Bend	trans	80.1	-6.1	154	-86.2	-177.8	176.7	179	0	122.3
827	Y	55.7	Low	60.7	Low	215 Å²	215	122 Å²	122	84%	0.843	60%	0.6	S	S	*	*	S	Bend	trans	-130.6	151.5	176.6	-63.5	-79.7	0	0	0	113.2
828	F	56.9	Low	60.9	Low	181 Å²	181	119.9 Å²	119.9	79%	0.794	59%	0.587	S	S	*	*			trans	-54	136.4	178.2	-97.4	-92.6	0	0	0	111	F830	F828-F830 HydrophobicContact CB-CE2 4.45Å; F828-F830 VanDerWaalsContact O-CD2 3.3Å; F828-F830 WeakPolarHBondContact O-CD2 3.21Å; F828-F830 PolarHBondContact O-N 3.34Å; F828-F830 VanDerWaalsContact O-N 3.1Å
829	P	56.9	Low	61.4	Low	98 Å²	98	119 Å²	119	64%	0.636	58%	0.583	S	S	*	*			trans	-69.6	108.1	-179.3	26.9	-31.7	0	0	0	110.1	P821	P821-P829 HydrophobicContact CB-CB 4.06Å; P821-P829 HydrophobicContact CG-CB 3.49Å; P821-P829 VanDerWaalsContact CG-CB 3.49Å
830	F	61.3	Low	61.8	Low	167 Å²	167	119.4 Å²	119.4	73%	0.732	58%	0.584	S	S	*	*			trans	-88.6	128.9	170	-71	-80.4	0	0	0	110	F828 Q832	F828-F830 HydrophobicContact CB-CE2 4.45Å; F828-F830 VanDerWaalsContact O-CD2 3.3Å; F828-F830 WeakPolarHBondContact O-CD2 3.21Å; F828-F830 PolarHBondContact O-N 3.34Å; F828-F830 VanDerWaalsContact O-N 3.1Å; F830-Q832 PolarHBondContact O-N 3.15Å
831	L	61.2	Low	62.3	Low	125 Å²	125	119.1 Å²	119.1	65%	0.654	58%	0.578	S	S	*	*			trans	-65.8	116.9	168.4	-84.8	133.8	0	0	0	108.9	L818	L818-L831 HydrophobicContact CB-CD2 4.49Å; L818-L831 HydrophobicContact CD2-CB 4.27Å; L818-L831 HydrophobicContact CD2-CD2 3.36Å; L818-L831 HydrophobicContact CD2-CG 4.36Å
832	Q	61.2	Low	62.9	Low	128 Å²	128	120.6 Å²	120.6	60%	0.598	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.7	112.8	178	-167.1	169.8	2.7	0	0	109.6	E819 F830 K834	E819-Q832 PolarHBondContact N-O 3.5Å; F830-Q832 PolarHBondContact O-N 3.15Å; Q832-K834 PolarHBondContact O-N 2.82Å
833	L	64	Low	63.6	Low	111 Å²	111	109.8 Å²	109.8	58%	0.581	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.8	167.7	-85.6	144	0	0	0	108.4	L816 L818	L816-L833 HydrophobicContact CB-CD2 4.35Å; L816-L833 HydrophobicContact CD2-CD2 3.91Å; L818-L833 HydrophobicContact CD1-CD2 4.27Å; L818-L833 HydrophobicContact CG-CD2 4.14Å; L818-L833 HydrophobicContact CG-CG 4.32Å
834	K	68.7	Low	64.4	Low	93 Å²	93	104.2 Å²	104.2	40%	0.404	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.3	176.7	-171.8	175.7	179.7	176.2	0	109.4	V817 E819 Q832 T836	V817-K834 PolarHBondContact N-O 3Å; V817-K834 PolarHBondContact O-N 2.82Å; E819-K834 VanDerWaalsContact CD-CD 3.46Å; E819-K834 HydrophobicContact CG-CD 4.39Å; E819-K834 WeakPolarHBondContact OE1-CD 3.49Å; E819-K834 IonicContact OE1-NZ 3.61Å; E819-K834 PolarHBondContact OE1-NZ 3.27Å; E819-K834 IonicContact OE2-NZ 3.7Å; Q832-K834 PolarHBondContact O-N 2.82Å; K834-T836 HydrophobicContact CG-CG2 4.4Å; K834-T836 PolarHBondContact O-N 3.46Å
835	V	67.4	Low	65.2	Low	67 Å²	67	104.3 Å²	104.3	41%	0.406	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.8	173.2	-162.4	0	0	0	0	108.1	Q813 L816	Q813-V835 HydrophobicContact CB-CB 4.34Å; Q813-V835 HydrophobicContact CB-CG1 3.59Å; Q813-V835 WeakPolarHBondContact O-CG1 2.85Å; L816-V835 HydrophobicContact CD2-CG2 3.97Å
836	T	68.8	Low	66.3	Low	37 Å²	37	104.9 Å²	104.9	23%	0.227	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	159.4	-178.5	61.5	0	0	0	0	110.6	K815 V817 K834	K815-T836 WeakPolarHBondContact CB-OG1 3.1Å; K815-T836 PolarHBondContact N-O 3.06Å; K815-T836 PolarHBondContact O-N 2.92Å; K815-T836 PolarHBondContact O-OG1 2.78Å; V817-T836 HydrophobicContact CB-CG2 3.94Å; V817-T836 HydrophobicContact CG2-CG2 3.76Å; V817-T836 WeakPolarHBondContact CG2-OG1 3.25Å; K834-T836 HydrophobicContact CG-CG2 4.4Å; K834-T836 PolarHBondContact O-N 3.46Å
837	R	69.4	Low	66.7	Low	93 Å²	93	97.9 Å²	97.9	35%	0.351	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	140	178.1	-169.6	-177.2	-174.2	-166.8	4.1	110.1	W805	W805-R837 VanDerWaalsContact C-NH2 3.32Å; W805-R837 VanDerWaalsContact NE1-NE 3.18Å; W805-R837 VanDerWaalsContact O-CZ 3.25Å; W805-R837 PolarHBondContact O-NE 3Å; W805-R837 VanDerWaalsContact O-NE 3.16Å; W805-R837 PolarHBondContact O-NH2 2.72Å
838	I	73.5	Confident	67.1	Low	6 Å²	6	89.8 Å²	89.8	3%	0.031	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-66.6	144.1	171.8	-55.9	166	0	0	0	109.9	W805 Y812 T814 E842	W805-I838 PolarHBondContact NE1-O 2.88Å; Y812-I838 WeakPolarHBondContact O-CG1 3.33Å; Y812-I838 PolarHBondContact O-N 2.57Å; T814-I838 HydrophobicContact CG2-CD1 4.15Å; T814-I838 WeakPolarHBondContact OG1-CD1 3.38Å; T814-I838 WeakPolarHBondContact OG1-CG1 3.39Å; I838-E842 HydrophobicContact CG2-CB 3.41Å; I838-E842 VanDerWaalsContact CG2-CB 3.41Å
839	D	76.3	Confident	67.1	Low	88 Å²	88	86.1 Å²	86.1	47%	0.471	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-65	148.2	175	-67.8	-50.2	0	0	0	111.1	K815 N841 E842 M843	K815-D839 IonicContact NZ-OD2 3.65Å; K815-D839 PolarHBondContact NZ-OD2 2.92Å; D839-N841 VanDerWaalsContact C-N 3.27Å; D839-N841 PolarHBondContact O-N 2.73Å; D839-E842 PolarHBondContact O-N 2.97Å; D839-E842 VanDerWaalsContact O-N 3.1Å; D839-M843 PolarHBondContact O-N 3.5Å
840	F	74.5	Confident	67.1	Low	83 Å²	83	84.5 Å²	84.5	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-55.6	-41.1	-175.8	174.3	-98.3	0	0	0	112.9	L802 W805 E842 M843 Y844	L802-F840 HydrophobicContact CD1-CD2 4.4Å; L802-F840 HydrophobicContact CD1-CE2 3.66Å; W805-F840 HydrophobicContact CH2-CB 4.26Å; W805-F840 HydrophobicContact CH2-CD2 4.39Å; W805-F840 HydrophobicContact CZ2-CB 4.04Å; W805-F840 HydrophobicContact CZ3-CD2 4.31Å; F840-E842 PolarHBondContact O-N 3.13Å; F840-M843 HydrophobicContact CD2-CE 4.17Å; F840-M843 HydrophobicContact CE2-CE 4Å; F840-M843 PolarHBondContact O-N 3.06Å; F840-Y844 WeakPolarHBondContact O-CB 3.33Å; F840-Y844 PolarHBondContact O-N 3.29Å
841	N	73.2	Confident	66.8	Low	117 Å²	117	82.3 Å²	82.3	63%	0.626	40%	0.402	S	S	*	.	H	α-helix	trans	-64.2	-40.6	179.7	-71.9	-13	0	0	0	112.1	D839 Y844 Q845	D839-N841 VanDerWaalsContact C-N 3.27Å; D839-N841 PolarHBondContact O-N 2.73Å; N841-Y844 PolarHBondContact O-N 3.19Å; N841-Q845 WeakPolarHBondContact O-CB 3.1Å; N841-Q845 WeakPolarHBondContact O-CG 3.14Å; N841-Q845 PolarHBondContact O-N 3.3Å
842	E	70.9	Confident	66.2	Low	82 Å²	82	84.2 Å²	84.2	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-68.4	-41.3	176.2	-75.4	-178.9	170.4	0	0	110.9	I838 D839 F840 Y844 Q845 Q846	I838-E842 HydrophobicContact CG2-CB 3.41Å; I838-E842 VanDerWaalsContact CG2-CB 3.41Å; D839-E842 PolarHBondContact O-N 2.97Å; D839-E842 VanDerWaalsContact O-N 3.1Å; F840-E842 PolarHBondContact O-N 3.13Å; E842-Y844 VanDerWaalsContact C-N 3.33Å; E842-Y844 PolarHBondContact O-N 3.31Å; E842-Q845 PolarHBondContact O-N 2.9Å; E842-Q846 WeakPolarHBondContact O-CB 3.34Å; E842-Q846 VanDerWaalsContact O-CG 3.25Å; E842-Q846 WeakPolarHBondContact O-CG 3.17Å; E842-Q846 PolarHBondContact O-N 3.44Å
843	M	71.2	Confident	65.5	Low	2 Å²	2	83.4 Å²	83.4	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-59.7	-43.2	173.8	-178.1	-127.4	62.3	0	0	111.7	P798 W805 Y812 D839 F840 N847	P798-M843 HydrophobicContact CG-CE 4.46Å; W805-M843 HydrophobicContact CB-CG 4.35Å; W805-M843 HydrophobicContact CB-SD 3.68Å; W805-M843 HydrophobicContact CD2-SD 4.34Å; W805-M843 HydrophobicContact CG-CG 4.33Å; W805-M843 HydrophobicContact CG-SD 3.82Å; Y812-M843 HydrophobicContact CD1-CG 4.28Å; Y812-M843 HydrophobicContact CE1-CG 4.29Å; D839-M843 PolarHBondContact O-N 3.5Å; F840-M843 HydrophobicContact CD2-CE 4.17Å; F840-M843 HydrophobicContact CE2-CE 4Å; F840-M843 PolarHBondContact O-N 3.06Å; M843-N847 WeakPolarHBondContact O-CB 3.21Å; M843-N847 PolarHBondContact O-N 2.9Å; M843-N847 PolarHBondContact O-ND2 3Å
844	Y	72.1	Confident	64.5	Low	55 Å²	55	84.9 Å²	84.9	22%	0.216	42%	0.418	C	S	.	.	H	α-helix	trans	-66	-45.7	179.7	-176	-90.6	0	0	0	111.5	P798 F840 N841 E842 Q846 H848	P798-Y844 HydrophobicContact CG-CD2 4.33Å; F840-Y844 WeakPolarHBondContact O-CB 3.33Å; F840-Y844 PolarHBondContact O-N 3.29Å; N841-Y844 PolarHBondContact O-N 3.19Å; E842-Y844 VanDerWaalsContact C-N 3.33Å; E842-Y844 PolarHBondContact O-N 3.31Å; Y844-Q846 PolarHBondContact O-N 3.23Å; Y844-H848 AromaticContact CE1-CD2 3.42Å; Y844-H848 VanDerWaalsContact CE1-CD2 3.42Å; Y844-H848 WeakPolarHBondContact CE1-CD2 3.46Å; Y844-H848 AromaticContact CE1-NE2 3.52Å; Y844-H848 AromaticContact CZ-CD2 3.42Å; Y844-H848 VanDerWaalsContact CZ-CD2 3.42Å; Y844-H848 AromaticContact CZ-NE2 3.38Å; Y844-H848 PolarHBondContact O-N 3.34Å; Y844-H848 PolarHBondContact OH-CD2 3.19Å; Y844-H848 PolarHBondContact OH-NE2 3.05Å
845	Q	69.7	Low	63.2	Low	135 Å²	135	86.1 Å²	86.1	63%	0.631	42%	0.423	S	S	*	.	H	α-helix	trans	-65	-36.4	178.9	-75.5	-178.2	-8.7	0	0	113.1	N841 E842	N841-Q845 WeakPolarHBondContact O-CB 3.1Å; N841-Q845 WeakPolarHBondContact O-CG 3.14Å; N841-Q845 PolarHBondContact O-N 3.3Å; E842-Q845 PolarHBondContact O-N 2.9Å
846	Q	65.6	Low	61.7	Low	119 Å²	119	88 Å²	88	56%	0.556	44%	0.437	S	S	*	.	H	α-helix	trans	-76.5	-28.8	-178.2	-73.4	176.4	0.7	0	0	113.9	E842 Y844	E842-Q846 WeakPolarHBondContact O-CB 3.34Å; E842-Q846 VanDerWaalsContact O-CG 3.25Å; E842-Q846 WeakPolarHBondContact O-CG 3.17Å; E842-Q846 PolarHBondContact O-N 3.44Å; Y844-Q846 PolarHBondContact O-N 3.23Å
847	N	62.1	Low	60.3	Low	53 Å²	53	91.7 Å²	91.7	28%	0.283	46%	0.464	S	S	.	.	H	α-helix	trans	-108.6	8.2	-172.1	-63.5	-68.3	0	0	0	114.1	P798 S801 M843 L849	P798-N847 HydrophobicContact CB-CB 3.9Å; P798-N847 WeakPolarHBondContact CB-O 3.27Å; P798-N847 HydrophobicContact CG-CB 4.34Å; S801-N847 WeakPolarHBondContact OG-CB 3.36Å; M843-N847 WeakPolarHBondContact O-CB 3.21Å; M843-N847 PolarHBondContact O-N 2.9Å; M843-N847 PolarHBondContact O-ND2 3Å; N847-L849 PolarHBondContact O-N 3.42Å
848	H	64.4	Low	59	Low	45 Å²	45	95.8 Å²	95.8	21%	0.208	49%	0.485	C	S	.	.			trans	-63.8	131.8	175.3	-144	-112.7	0	0	0	110.7	D796 Y844 L850	D796-H848 IonicContact OD1-CD2 3.92Å; D796-H848 IonicContact OD1-CE1 3.01Å; D796-H848 PolarHBondContact OD1-CE1 2.84Å; D796-H848 IonicContact OD1-CG 2.72Å; D796-H848 IonicContact OD1-ND1 3.01Å; D796-H848 PolarHBondContact OD1-ND1 2.81Å; D796-H848 VanDerWaalsContact OD1-ND1 3.08Å; D796-H848 IonicContact OD1-NE2 2.77Å; D796-H848 IonicContact OD2-CE1 3.91Å; D796-H848 PolarHBondContact OD2-CE1 3.28Å; D796-H848 IonicContact OD2-CG 3.05Å; D796-H848 IonicContact OD2-ND1 2.71Å; D796-H848 PolarHBondContact OD2-ND1 2.85Å; D796-H848 IonicContact OD2-NE2 3.6Å; D796-H848 PolarHBondContact OD2-NE2 3.43Å; Y844-H848 AromaticContact CE1-CD2 3.42Å; Y844-H848 VanDerWaalsContact CE1-CD2 3.42Å; Y844-H848 WeakPolarHBondContact CE1-CD2 3.46Å; Y844-H848 AromaticContact CE1-NE2 3.52Å; Y844-H848 AromaticContact CZ-CD2 3.42Å; Y844-H848 VanDerWaalsContact CZ-CD2 3.42Å; Y844-H848 AromaticContact CZ-NE2 3.38Å; Y844-H848 PolarHBondContact O-N 3.34Å; Y844-H848 PolarHBondContact OH-CD2 3.19Å; Y844-H848 PolarHBondContact OH-NE2 3.05Å; H848-L850 PolarHBondContact ND1-O 2.8Å
849	L	57.9	Low	57.7	Low	104 Å²	104	99.9 Å²	99.9	55%	0.545	51%	0.514	S	S	.	.	S	Bend	trans	-81.8	-30	-174.4	-107.4	150.7	0	0	0	112.2	D796 N847	D796-L849 PolarHBondContact OD1-N 3.1Å; N847-L849 PolarHBondContact O-N 3.42Å
850	L	56.1	Low	56.5	Low	65 Å²	65	101 Å²	101	34%	0.34	52%	0.519	S	S	.	.			trans	-109.9	97	177.6	-56.2	159.9	0	0	0	109	W792 D796 H848 K852	W792-L850 HydrophobicContact CE3-CD1 3.62Å; W792-L850 HydrophobicContact CZ3-CD1 3.65Å; D796-L850 HydrophobicContact CB-CD1 4.39Å; D796-L850 PolarHBondContact OD1-N 3.41Å; D796-L850 WeakPolarHBondContact OD2-CB 3.42Å; H848-L850 PolarHBondContact ND1-O 2.8Å; L850-K852 PolarHBondContact O-N 3.32Å
851	H	54	Low	55.7	Low	120 Å²	120	99 Å²	99	56%	0.556	52%	0.516	S	S	*	.	S	Bend	trans	-79	4.1	-175	-122.5	-62	0	0	0	114.7
852	K	49.6	Very low	55.1	Low	165 Å²	165	100.8 Å²	100.8	72%	0.717	52%	0.518	S	S	*	.	S	Bend	trans	-145.1	131.8	172.1	-85.8	-178.3	176.5	176.1	0	109.9	L850 I854	L850-K852 PolarHBondContact O-N 3.32Å; K852-I854 PolarHBondContact O-N 3.34Å
853	P	45.8	Very low	54.6	Low	111 Å²	111	103 Å²	103	72%	0.721	53%	0.53	S	S	*	.			trans	-64.8	107.3	162.1	28.1	-30.1	0	0	0	106.9	F855	P853-F855 HydrophobicContact CB-CD2 4.38Å; P853-F855 PolarHBondContact O-N 3.24Å
854	I	43.9	Very low	54.3	Low	142 Å²	142	106.5 Å²	106.5	73%	0.728	55%	0.549	S	S	*	.			trans	-75.6	51.8	162	-47.5	172.6	0	0	0	107.5	K852	K852-I854 PolarHBondContact O-N 3.34Å
855	F	41.3	Very low	54	Low	119 Å²	119	105.5 Å²	105.5	52%	0.522	55%	0.547	S	S	.	.			trans	-85.2	124.2	150.7	-86.1	-83.5	0	0	0	104.7	P853 S857	P853-F855 HydrophobicContact CB-CD2 4.38Å; P853-F855 PolarHBondContact O-N 3.24Å; F855-S857 VanDerWaalsContact C-N 3.28Å; F855-S857 PolarHBondContact O-N 3.18Å
856	P	36.4	Very low	53.9	Low	108 Å²	108	104.1 Å²	104.1	70%	0.701	54%	0.539	S	S	*	.			trans	-56.5	111.1	154.2	26.5	-27.7	0	0	0	104	K858	P856-K858 PolarHBondContact O-N 3.44Å
857	S	38.9	Very low	53.9	Low	113 Å²	113	105.2 Å²	105.2	79%	0.79	54%	0.539	S	S	*	.	S	Bend	trans	-69	54.3	172.6	52.5	0	0	0	0	110	F855 S859	F855-S857 VanDerWaalsContact C-N 3.28Å; F855-S857 PolarHBondContact O-N 3.18Å; S857-S859 PolarHBondContact O-N 3.46Å
858	K	41.8	Very low	54.2	Low	180 Å²	180	104 Å²	104	78%	0.783	53%	0.534	S	S	*	.				-79.5	80.1	127.5	-75.3	-175.4	178.4	-179.5	0	104.8	P856 L860	P856-K858 PolarHBondContact O-N 3.44Å; K858-L860 PolarHBondContact O-N 3.46Å
859	S	45.8	Very low	54.6	Low	92 Å²	92	103.7 Å²	103.7	64%	0.643	53%	0.534	S	S	*	.			trans	-46.4	122.9	151.3	51.4	0	0	0	0	104.5	S857 S861	S857-S859 PolarHBondContact O-N 3.46Å; S859-S861 PolarHBondContact O-N 3.49Å
860	L	52.5	Low	55	Low	110 Å²	110	105.1 Å²	105.1	58%	0.576	54%	0.541	S	S	*	.			trans	-64.4	85.1	177.7	-159.3	77.3	0	0	0	104.4	K858 F862 I865	K858-L860 PolarHBondContact O-N 3.46Å; L860-F862 PolarHBondContact O-N 2.94Å; L860-I865 HydrophobicContact CB-CD1 4.41Å; L860-I865 HydrophobicContact CB-CG1 4.38Å; L860-I865 HydrophobicContact CD2-CD1 3.48Å; L860-I865 VanDerWaalsContact CD2-CD1 3.48Å; L860-I865 HydrophobicContact CD2-CG1 3.4Å; L860-I865 HydrophobicContact CG-CD1 3.88Å; L860-I865 HydrophobicContact CG-CG1 3.47Å; L860-I865 VanDerWaalsContact CG-CG1 3.47Å
861	S	56.9	Low	55.4	Low	42 Å²	42	103.9 Å²	103.9	29%	0.294	54%	0.538	S	S	.	.			trans	-57.7	138.5	-175.3	72.9	0	0	0	0	105	S859 M863 N864 I865	S859-S861 PolarHBondContact O-N 3.49Å; S861-M863 CarbonylContact O-C 3.54Å; S861-M863 PolarHBondContact O-N 3.47Å; S861-N864 WeakPolarHBondContact O-CA 3.23Å; S861-N864 WeakPolarHBondContact O-CB 3.39Å; S861-N864 PolarHBondContact O-N 2.94Å; S861-N864 PolarHBondContact OG-N 3.49Å; S861-N864 PolarHBondContact OG-ND2 3.01Å; S861-N864 PolarHBondContact OG-OD1 2.85Å; S861-I865 PolarHBondContact O-N 3.17Å; S861-I865 VanDerWaalsContact O-N 3.1Å
862	F	61.1	Low	55.7	Low	155 Å²	155	98.2 Å²	98.2	68%	0.68	51%	0.512	S	S	*	.	H	α-helix	trans	-48.1	-32.7	175.2	177.6	-96.3	0	0	0	110.6	L860 I865 F866	L860-F862 PolarHBondContact O-N 2.94Å; F862-I865 PolarHBondContact O-N 3.16Å; F862-F866 WeakPolarHBondContact O-CB 3.5Å; F862-F866 PolarHBondContact O-N 2.85Å
863	M	59	Low	56.4	Low	129 Å²	129	94.8 Å²	94.8	64%	0.635	50%	0.499	S	S	*	.	H	α-helix	trans	-63.8	-40.1	172	-63.8	-57.3	-168.7	0	0	114.9	S861 F866 Y867	S861-M863 CarbonylContact O-C 3.54Å; S861-M863 PolarHBondContact O-N 3.47Å; M863-F866 PolarHBondContact O-N 3.17Å; M863-Y867 WeakPolarHBondContact O-CB 3.43Å; M863-Y867 PolarHBondContact O-N 3.47Å
864	N	65.5	Low	57.1	Low	74 Å²	74	92.8 Å²	92.8	40%	0.396	48%	0.482	S	S	.	.	H	α-helix	trans	-67.1	-41.1	174.8	-71.6	-12.1	0	0	0	111.3	S861 Y867 C868	S861-N864 WeakPolarHBondContact O-CA 3.23Å; S861-N864 WeakPolarHBondContact O-CB 3.39Å; S861-N864 PolarHBondContact O-N 2.94Å; S861-N864 PolarHBondContact OG-N 3.49Å; S861-N864 PolarHBondContact OG-ND2 3.01Å; S861-N864 PolarHBondContact OG-OD1 2.85Å; N864-Y867 PolarHBondContact O-N 3.08Å; N864-C868 WeakPolarHBondContact O-CB 3.26Å; N864-C868 PolarHBondContact O-N 2.71Å; N864-C868 PolarHBondContact O-SG 3.07Å
865	I	66.9	Low	57.8	Low	35 Å²	35	87 Å²	87	18%	0.179	45%	0.452	C	S	.	.	H	α-helix	trans	-62.7	-50.3	174.3	-53.9	177.1	0	0	0	109.1	L778 L860 S861 F862 Y867 C868 L869	L778-I865 HydrophobicContact CD2-CG2 3.94Å; L860-I865 HydrophobicContact CB-CD1 4.41Å; L860-I865 HydrophobicContact CB-CG1 4.38Å; L860-I865 HydrophobicContact CD2-CD1 3.48Å; L860-I865 VanDerWaalsContact CD2-CD1 3.48Å; L860-I865 HydrophobicContact CD2-CG1 3.4Å; L860-I865 HydrophobicContact CG-CD1 3.88Å; L860-I865 HydrophobicContact CG-CG1 3.47Å; L860-I865 VanDerWaalsContact CG-CG1 3.47Å; S861-I865 PolarHBondContact O-N 3.17Å; S861-I865 VanDerWaalsContact O-N 3.1Å; F862-I865 PolarHBondContact O-N 3.16Å; I865-Y867 VanDerWaalsContact C-N 3.32Å; I865-Y867 PolarHBondContact O-N 2.96Å; I865-C868 PolarHBondContact O-N 3.37Å; I865-L869 HydrophobicContact CG2-CD1 3.8Å; I865-L869 HydrophobicContact CG2-CG 4.2Å; I865-L869 WeakPolarHBondContact O-CB 3.29Å; I865-L869 WeakPolarHBondContact O-CG 3.45Å; I865-L869 PolarHBondContact O-N 3.46Å
866	F	67.2	Low	58.4	Low	105 Å²	105	93.7 Å²	93.7	46%	0.461	47%	0.474	S	S	.	.	H	α-helix	trans	-59.1	-42.2	179	-174.8	-98.8	0	0	0	111.9	F862 M863 L869 L870	F862-F866 WeakPolarHBondContact O-CB 3.5Å; F862-F866 PolarHBondContact O-N 2.85Å; M863-F866 PolarHBondContact O-N 3.17Å; F866-L869 WeakPolarHBondContact O-CB 3.46Å; F866-L869 PolarHBondContact O-N 3.21Å; F866-L870 HydrophobicContact CZ-CD1 4.4Å; F866-L870 WeakPolarHBondContact O-CB 3.44Å; F866-L870 PolarHBondContact O-N 3.05Å
867	Y	65.9	Low	59.5	Low	142 Å²	142	93 Å²	93	56%	0.557	46%	0.463	S	S	*	.	H	α-helix	trans	-64.6	-43.7	175.3	-178	-93.4	0	0	0	111.9	M863 N864 I865 L869 L870 S871	M863-Y867 WeakPolarHBondContact O-CB 3.43Å; M863-Y867 PolarHBondContact O-N 3.47Å; N864-Y867 PolarHBondContact O-N 3.08Å; I865-Y867 VanDerWaalsContact C-N 3.32Å; I865-Y867 PolarHBondContact O-N 2.96Å; Y867-L869 VanDerWaalsContact C-N 3.33Å; Y867-L869 PolarHBondContact O-N 3.08Å; Y867-L870 PolarHBondContact O-N 2.86Å; Y867-S871 VanDerWaalsContact O-CB 3.27Å; Y867-S871 WeakPolarHBondContact O-CB 3.49Å; Y867-S871 PolarHBondContact O-N 2.9Å; Y867-S871 PolarHBondContact O-OG 3.46Å
868	C	67.6	Low	60.6	Low	27 Å²	27	91.9 Å²	91.9	18%	0.182	45%	0.445	C	S	.	.	H	α-helix	trans	-63.4	-41	175.5	-66.7	0	0	0	0	111.1	N864 I865 S871 A872 Q873 I875	N864-C868 WeakPolarHBondContact O-CB 3.26Å; N864-C868 PolarHBondContact O-N 2.71Å; N864-C868 PolarHBondContact O-SG 3.07Å; I865-C868 PolarHBondContact O-N 3.37Å; C868-S871 PolarHBondContact O-OG 3.36Å; C868-A872 CarbonylContact O-C 3.52Å; C868-A872 WeakPolarHBondContact O-CA 3.24Å; C868-A872 PolarHBondContact O-N 3.22Å; C868-Q873 HydrophobicContact CB-CB 4.44Å; C868-Q873 PolarHBondContact O-N 3.11Å; C868-I875 HydrophobicContact CB-CG1 3.93Å
869	L	71.6	Confident	61.6	Low	40 Å²	40	87 Å²	87	21%	0.209	43%	0.427	C	S	.	.	H	α-helix	trans	-61.5	-44	175.7	-72.2	171.4	0	0	0	112.2	Y770 T774 L778 I865 F866 Y867 A872 I875	Y770-L869 PolarHBondContact OH-O 3.22Å; T774-L869 HydrophobicContact CG2-CD2 3.08Å; L778-L869 HydrophobicContact CD1-CD1 4.31Å; I865-L869 HydrophobicContact CG2-CD1 3.8Å; I865-L869 HydrophobicContact CG2-CG 4.2Å; I865-L869 WeakPolarHBondContact O-CB 3.29Å; I865-L869 WeakPolarHBondContact O-CG 3.45Å; I865-L869 PolarHBondContact O-N 3.46Å; F866-L869 WeakPolarHBondContact O-CB 3.46Å; F866-L869 PolarHBondContact O-N 3.21Å; Y867-L869 VanDerWaalsContact C-N 3.33Å; Y867-L869 PolarHBondContact O-N 3.08Å; L869-A872 PolarHBondContact O-N 2.96Å; L869-I875 HydrophobicContact CD2-CD1 3.66Å; L869-I875 HydrophobicContact CG-CD1 4.14Å
870	L	67.5	Low	62.5	Low	133 Å²	133	86.7 Å²	86.7	70%	0.696	41%	0.414	S	S	*	.	H	α-helix	trans	-75	-38.4	-177.7	-157.2	83.7	0	0	0	112.4	F866 Y867 A872	F866-L870 HydrophobicContact CZ-CD1 4.4Å; F866-L870 WeakPolarHBondContact O-CB 3.44Å; F866-L870 PolarHBondContact O-N 3.05Å; Y867-L870 PolarHBondContact O-N 2.86Å; L870-A872 PolarHBondContact O-N 3.16Å
871	S	64	Low	63.2	Low	40 Å²	40	85.3 Å²	85.3	28%	0.28	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.3	176.2	62.5	0	0	0	0	113.2	Y867 C868 Q873	Y867-S871 VanDerWaalsContact O-CB 3.27Å; Y867-S871 WeakPolarHBondContact O-CB 3.49Å; Y867-S871 PolarHBondContact O-N 2.9Å; Y867-S871 PolarHBondContact O-OG 3.46Å; C868-S871 PolarHBondContact O-OG 3.36Å; S871-Q873 PolarHBondContact O-N 3.05Å; S871-Q873 WeakPolarHBondContact OG-CB 3.22Å; S871-Q873 VanDerWaalsContact OG-CG 3.28Å; S871-Q873 WeakPolarHBondContact OG-CG 3.48Å
872	A	61	Low	63.6	Low	1 Å²	1	88.1 Å²	88.1	1%	0.008	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	33.4	-169.4	0	0	0	0	0	111.8	T621 L624 R625 C868 L869 L870	T621-A872 HydrophobicContact CG2-CB 4.2Å; T621-A872 WeakPolarHBondContact CG2-O 3.43Å; L624-A872 HydrophobicContact CD2-CB 4.05Å; R625-A872 HydrophobicContact CG-CB 4.01Å; R625-A872 PolarHBondContact NE-O 2.85Å; R625-A872 PolarHBondContact NH2-O 3.24Å; C868-A872 CarbonylContact O-C 3.52Å; C868-A872 WeakPolarHBondContact O-CA 3.24Å; C868-A872 PolarHBondContact O-N 3.22Å; L869-A872 PolarHBondContact O-N 2.96Å; L870-A872 PolarHBondContact O-N 3.16Å
873	Q	64.6	Low	63.8	Low	92 Å²	92	83.4 Å²	83.4	43%	0.43	39%	0.392	S	S	.	.			trans	-80.7	152.9	176.7	-76.6	-179.6	-2.9	0	0	111.6	R625 C868 S871 I875	R625-Q873 VanDerWaalsContact NH2-C 3.27Å; C868-Q873 HydrophobicContact CB-CB 4.44Å; C868-Q873 PolarHBondContact O-N 3.11Å; S871-Q873 PolarHBondContact O-N 3.05Å; S871-Q873 WeakPolarHBondContact OG-CB 3.22Å; S871-Q873 VanDerWaalsContact OG-CG 3.28Å; S871-Q873 WeakPolarHBondContact OG-CG 3.48Å; Q873-I875 PolarHBondContact O-N 3.28Å
874	D	60.7	Low	64.1	Low	70 Å²	70	79.8 Å²	79.8	37%	0.374	37%	0.373	S	S	.	.			trans	-67	124.4	-176.9	-61.7	-18.7	0	0	0	109.1	R625 R876	R625-D874 IonicContact CZ-OD1 2.92Å; R625-D874 IonicContact NH1-OD1 2.8Å; R625-D874 IonicContact NH2-OD1 2.75Å; R625-D874 PolarHBondContact NH2-OD1 3.17Å; D874-R876 PolarHBondContact O-N 3.2Å
875	I	57.4	Low	64	Low	19 Å²	19	80.3 Å²	80.3	10%	0.097	37%	0.371	C	S	.	.			trans	-76.3	3.7	-176.7	-60	167.3	0	0	0	112.8	Y617 L781 C868 L869 Q873	Y617-I875 VanDerWaalsContact OH-CD1 3.23Å; Y617-I875 WeakPolarHBondContact OH-CD1 3.41Å; Y617-I875 WeakPolarHBondContact OH-CG1 3.41Å; L781-I875 HydrophobicContact CD1-CG2 3.9Å; C868-I875 HydrophobicContact CB-CG1 3.93Å; L869-I875 HydrophobicContact CD2-CD1 3.66Å; L869-I875 HydrophobicContact CG-CD1 4.14Å; Q873-I875 PolarHBondContact O-N 3.28Å
876	R	53.8	Low	63.8	Low	260 Å²	260	84.5 Å²	84.5	98%	0.981	39%	0.389	S	S	*	.			trans	-67.7	0	177.9	-68.4	-175.4	-169.1	-174.6	1.4	111	D874	D874-R876 PolarHBondContact O-N 3.2Å

Retrieved 876 of 876 residues in 265.2 ms (Link to these results)

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