A0A077ZHM1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZHM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,110 aa.

						>A0A077ZHM1_TRITR|A0A077ZHM1
MSMIPPVGFEVSIYPDSAFGCWTLLGLYVASLLAIIALAFLCGGGAKPAEGAAGAPAGDAAAPAGGAAGGDKPPDAPNITTFWCDMSTVSRNRSKPSVNPAPLELIARVREQDAQVKCLLDETKDIMKVHRESGSVSALVSKLFAQMRNLRNQSSADKKAKADVVSSRWQGDHNLLKKEKQCYNQEFKCCGRLHSVGKCECTTAHLDEQALNSWRLSACERILAAFVRYRDSARKFMTKDLLTKNVVDGVVDSVTKRRQSVANGLPLSAAMQQLQQTDENLLKSMIVNIISDFTNGQNKKPIPHLNCMFKTAVGGFLQNCSLDDLLWFTCKIMEAPWLGVDWIPSLLRKVILSHCDSNLKKGFESFCRFMFVVLEMSSLYAEPKGDPVEESESWVVVEPVLNQDTRCGPVSEETIRLYFNLLDVNGLGAFSEKIQSREQLTSLEKWTLYTSLTQYMVCLTEATLKKFVDRRCYDTAMYISLVTACWINWLYYVRNDLSGSLQSENDRSIAEEMYIRLSGYKVIVSVEKYTLWQSFLSMPIPLGEPIDEWRLLYVLFRQGKDEIADVMQMPLPRLKGLVRETVRNTKYGVHSNPEIVHFYNTVCAILERLKNPDTVSITILALLLRAFSSEDDIERVTFEKNMLSILLSSPLCAEQFIPAMDECLKRMPSANCANIINVLSFEHLRLNNKTWPILKSWLRHGVESKQFALAERIVAELGLGHYTLADDAFTAELVDVLSLLFRKHVTDCKLSKESIANKMSLSGSRNGRFEQFCWSIVACVKVTKRSKNSGQRRALRTFFPTKHSLFEAFVHFQSGNESEISVEDFLKAVTELRIPAAVLPCVIYLLRKFLEDETAVLPSAAKFREWMDCLLCSASDGLVEFPLPELFSHQLSQIIAEYKETKPSKCKDVTTFLFSTISPVRNAAWRQSSGHVPLMDSCSRAANTVGDGGYNFLSQLLFESGFTSSNEEVLKDLVKGFNCFKVTHARGHCSLKYPDIAFTYATKVHDYVMTMDSSVSERPIWRLAVGQWWCFICSTVCHHRLFLLLTSLRRLYEVVTSDESFTGRELNDLAADMVKFLESKNCQFLKVSRQQLYRFVLSLLNLFLHLKTVE
					

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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	24.6	Very low	24.7	Very low	250 Å²	250	146.4 Å²	146.4	100%	1.232	82%	0.82	S	S	*	*				0	95.3	0	-85.3	175.2	155.7	0	0	108.5
2	S	26.4	Very low	24.6	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	80%	0.803	S	S	*	*			trans	-157.8	91.7	166	56.5	0	0	0	0	106.7	I4	S2-I4 PolarHBondContact O-N 3.34Å
3	M	24.1	Very low	24.5	Very low	194 Å²	194	142.2 Å²	142.2	96%	0.956	80%	0.801	S	S	*	*			trans	-66.8	108.3	168.7	-76.9	-179.8	170.4	0	0	107.2	P5	M3-P5 WeakPolarHBondContact O-CD 3.48Å
4	I	27.4	Very low	24.5	Very low	153 Å²	153	145.6 Å²	145.6	79%	0.785	80%	0.797	S	S	*	*			trans	-83.9	111.5	164.7	-60.3	175.4	0	0	0	105.4	S2	S2-I4 PolarHBondContact O-N 3.34Å
5	P	25	Very low	24.8	Very low	97 Å²	97	141.8 Å²	141.8	63%	0.63	78%	0.782	S	S	*	*			trans	-69.5	139.1	-179.5	28.8	-33	0	0	0	110	M3 V7	M3-P5 WeakPolarHBondContact O-CD 3.48Å; P5-V7 PolarHBondContact O-N 3.45Å
6	P	26.2	Very low	24.9	Very low	129 Å²	129	142 Å²	142	84%	0.838	78%	0.782	S	S	*	*			trans	-69	121.4	179.1	26.7	-31.2	0	0	0	110.1	G8	P6-G8 PolarHBondContact O-N 2.98Å
7	V	26.4	Very low	25.1	Very low	120 Å²	120	138.5 Å²	138.5	73%	0.727	77%	0.769	S	S	*	*			trans	-69.1	94.5	172.8	-178.4	0	0	0	0	108	P5 F9	P5-V7 PolarHBondContact O-N 3.45Å; V7-F9 HydrophobicContact CG1-CD2 4.46Å; V7-F9 HydrophobicContact CG1-CE2 4.24Å; V7-F9 PolarHBondContact O-N 2.84Å
8	G	23	Very low	25.4	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	75%	0.749	S	S	*	*			trans	-71	110.8	167.4	0	0	0	0	0	109.3	P6 E10	P6-G8 PolarHBondContact O-N 2.98Å; G8-E10 PolarHBondContact O-N 3.09Å
9	F	23.3	Very low	25.6	Very low	184 Å²	184	134.9 Å²	134.9	81%	0.807	75%	0.746	S	S	*	*			trans	-70.6	95	167.9	-76.5	-92.6	0	0	0	108.7	V7 V11	V7-F9 HydrophobicContact CG1-CD2 4.46Å; V7-F9 HydrophobicContact CG1-CE2 4.24Å; V7-F9 PolarHBondContact O-N 2.84Å; F9-V11 VanDerWaalsContact C-N 3.34Å; F9-V11 PolarHBondContact O-N 3.45Å
10	E	23.3	Very low	25.9	Very low	192 Å²	192	130.2 Å²	130.2	90%	0.897	73%	0.73	S	S	*	*			trans	-68.6	96.1	160.4	-82	-173.1	158.4	0	0	108.1	G8 S12	G8-E10 PolarHBondContact O-N 3.09Å; E10-S12 VanDerWaalsContact C-N 3.33Å; E10-S12 PolarHBondContact O-N 3.18Å
11	V	22.3	Very low	26.2	Very low	118 Å²	118	128.1 Å²	128.1	72%	0.715	72%	0.723	S	S	*	*			trans	-69.2	94.5	168.4	-179.5	0	0	0	0	107.3	F9 I13	F9-V11 VanDerWaalsContact C-N 3.34Å; F9-V11 PolarHBondContact O-N 3.45Å; V11-I13 HydrophobicContact CG1-CG1 4.18Å; V11-I13 PolarHBondContact O-N 2.68Å
12	S	23	Very low	26.9	Very low	87 Å²	87	125 Å²	125	61%	0.608	70%	0.698	S	S	*	*			trans	-65.9	96.6	165.2	52.9	0	0	0	0	108.5	E10 Y14	E10-S12 VanDerWaalsContact C-N 3.33Å; E10-S12 PolarHBondContact O-N 3.18Å; S12-Y14 PolarHBondContact O-N 2.97Å
13	I	23.3	Very low	27.5	Very low	152 Å²	152	123.4 Å²	123.4	78%	0.779	68%	0.684	S	S	*	*			trans	-67	97.3	173.8	-59.5	170.5	0	0	0	107.5	V11	V11-I13 HydrophobicContact CG1-CG1 4.18Å; V11-I13 PolarHBondContact O-N 2.68Å
14	Y	24.5	Very low	28.4	Very low	189 Å²	189	120 Å²	120	74%	0.741	67%	0.669	S	S	*	*			trans	-79.6	124.4	169.5	-90.4	-92.3	0	0	0	109.1	S12 D16	S12-Y14 PolarHBondContact O-N 2.97Å; Y14-D16 PolarHBondContact O-N 3.45Å
15	P	29.2	Very low	29.2	Very low	89 Å²	89	117.1 Å²	117.1	58%	0.578	65%	0.654	S	S	*	*			trans	-85.9	97.4	177.3	31.1	-29.4	0	0	0	110.4	S17 A18	P15-S17 PolarHBondContact O-N 2.86Å; P15-S17 VanDerWaalsContact O-N 3.1Å; P15-A18 PolarHBondContact O-N 3.42Å
16	D	27.3	Very low	30	Very low	145 Å²	145	114.5 Å²	114.5	78%	0.775	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-10.2	176.4	-78.2	-31.8	0	0	0	114	Y14 A18 F19	Y14-D16 PolarHBondContact O-N 3.45Å; D16-A18 VanDerWaalsContact C-N 3.31Å; D16-A18 PolarHBondContact O-N 2.84Å; D16-F19 PolarHBondContact O-N 3.46Å
17	S	28.3	Very low	31	Very low	82 Å²	82	113.6 Å²	113.6	57%	0.573	63%	0.633	S	S	*	*	H	α-helix	trans	-70.6	-20.6	178.2	57.9	0	0	0	0	114.4	P15 F19	P15-S17 PolarHBondContact O-N 2.86Å; P15-S17 VanDerWaalsContact O-N 3.1Å; S17-F19 VanDerWaalsContact C-N 3.35Å; S17-F19 PolarHBondContact O-N 3.37Å
18	A	29.4	Very low	32	Very low	48 Å²	48	115 Å²	115	40%	0.397	63%	0.626	S	S	.	*	H	α-helix	trans	-69.6	-31.8	178.4	0	0	0	0	0	112.4	P15 D16 C21 W22	P15-A18 PolarHBondContact O-N 3.42Å; D16-A18 VanDerWaalsContact C-N 3.31Å; D16-A18 PolarHBondContact O-N 2.84Å; A18-C21 PolarHBondContact O-N 3.34Å; A18-W22 PolarHBondContact O-N 2.9Å
19	F	29.4	Very low	33.3	Very low	161 Å²	161	115.1 Å²	115.1	71%	0.706	61%	0.613	S	S	*	*	H	α-helix	trans	-71.9	-37.1	-175.1	-147.3	-90	0	0	0	112.2	D16 S17 C21 W22 T23	D16-F19 PolarHBondContact O-N 3.46Å; S17-F19 VanDerWaalsContact C-N 3.35Å; S17-F19 PolarHBondContact O-N 3.37Å; F19-C21 VanDerWaalsContact C-N 3.3Å; F19-C21 PolarHBondContact O-N 3.26Å; F19-W22 PolarHBondContact O-N 2.88Å; F19-T23 PolarHBondContact O-N 2.81Å; F19-T23 VanDerWaalsContact O-N 3.07Å; F19-T23 PolarHBondContact O-OG1 3.49Å
20	G	32.2	Very low	34.7	Very low	40 Å²	40	109 Å²	109	41%	0.412	60%	0.597	S	S	.	*	H	α-helix	trans	-60.3	-39.9	173.9	0	0	0	0	0	112.5	T23 L24	G20-T23 PolarHBondContact O-N 2.81Å; G20-L24 WeakPolarHBondContact O-CB 3.43Å; G20-L24 WeakPolarHBondContact O-CG 2.99Å; G20-L24 PolarHBondContact O-N 2.69Å
21	C	32.7	Very low	36	Very low	88 Å²	88	102.7 Å²	102.7	60%	0.595	57%	0.573	S	S	*	*	H	α-helix	trans	-69.1	-42.4	179.9	-141.1	0	0	0	0	112.4	A18 F19 T23 L24 L25	A18-C21 PolarHBondContact O-N 3.34Å; F19-C21 VanDerWaalsContact C-N 3.3Å; F19-C21 PolarHBondContact O-N 3.26Å; C21-T23 PolarHBondContact O-N 3.15Å; C21-L24 PolarHBondContact O-N 2.96Å; C21-L25 WeakPolarHBondContact O-CB 3.01Å; C21-L25 PolarHBondContact O-N 3.45Å
22	W	37.8	Very low	37.3	Very low	184 Å²	184	100.3 Å²	100.3	70%	0.697	56%	0.556	S	S	*	*	H	α-helix	trans	-66.2	-35.9	176.1	-75.7	111.4	0	0	0	113	A18 F19 L25 G26	A18-W22 PolarHBondContact O-N 2.9Å; F19-W22 PolarHBondContact O-N 2.88Å; W22-L25 HydrophobicContact CE3-CD2 4.21Å; W22-L25 HydrophobicContact CZ3-CD2 4.08Å; W22-G26 PolarHBondContact O-N 2.95Å
23	T	39.7	Very low	38.8	Very low	71 Å²	71	101.3 Å²	101.3	44%	0.436	55%	0.554	S	S	.	*	H	α-helix	trans	-70.2	-41.2	178.5	-40	0	0	0	0	111	F19 G20 C21 G26 L27	F19-T23 PolarHBondContact O-N 2.81Å; F19-T23 VanDerWaalsContact O-N 3.07Å; F19-T23 PolarHBondContact O-OG1 3.49Å; G20-T23 PolarHBondContact O-N 2.81Å; C21-T23 PolarHBondContact O-N 3.15Å; T23-G26 PolarHBondContact O-N 3.49Å; T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 PolarHBondContact O-N 3.37Å
24	L	41.9	Very low	40.5	Very low	122 Å²	122	96.4 Å²	96.4	64%	0.639	54%	0.536	S	S	*	.	H	α-helix	trans	-66.8	-42.2	174.7	-75.8	167.6	0	0	0	112.3	G20 C21 G26 L27 Y28	G20-L24 WeakPolarHBondContact O-CB 3.43Å; G20-L24 WeakPolarHBondContact O-CG 2.99Å; G20-L24 PolarHBondContact O-N 2.69Å; C21-L24 PolarHBondContact O-N 2.96Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 2.93Å; L24-Y28 WeakPolarHBondContact O-CB 3.2Å; L24-Y28 PolarHBondContact O-N 3.35Å
25	L	45.3	Very low	42.1	Very low	92 Å²	92	92.7 Å²	92.7	48%	0.482	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-40.7	174.6	-171	73.5	0	0	0	111.1	C21 W22 Y28 V29	C21-L25 WeakPolarHBondContact O-CB 3.01Å; C21-L25 PolarHBondContact O-N 3.45Å; W22-L25 HydrophobicContact CE3-CD2 4.21Å; W22-L25 HydrophobicContact CZ3-CD2 4.08Å; L25-Y28 PolarHBondContact O-N 3.39Å; L25-V29 WeakPolarHBondContact O-CB 3.25Å; L25-V29 VanDerWaalsContact O-CG2 3.29Å; L25-V29 WeakPolarHBondContact O-CG2 3.42Å; L25-V29 PolarHBondContact O-N 2.72Å
26	G	40.7	Very low	43.2	Very low	42 Å²	42	92 Å²	92	43%	0.433	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-43.6	175	0	0	0	0	0	112.6	W22 T23 L24 A30	W22-G26 PolarHBondContact O-N 2.95Å; T23-G26 PolarHBondContact O-N 3.49Å; L24-G26 VanDerWaalsContact C-N 3.34Å; G26-A30 VanDerWaalsContact O-CB 3.3Å; G26-A30 WeakPolarHBondContact O-CB 3.19Å; G26-A30 PolarHBondContact O-N 3.31Å
27	L	48.2	Very low	44.4	Very low	111 Å²	111	87.3 Å²	87.3	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-64.9	-42	174.3	-84.4	161.4	0	0	0	112.1	T23 L24 A30 S31	T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 PolarHBondContact O-N 3.37Å; L24-L27 PolarHBondContact O-N 2.93Å; L27-A30 PolarHBondContact O-N 3.49Å; L27-S31 WeakPolarHBondContact O-CB 3.01Å; L27-S31 PolarHBondContact O-N 3.13Å; L27-S31 PolarHBondContact O-OG 2.92Å
28	Y	47.4	Very low	45.4	Very low	148 Å²	148	88.4 Å²	88.4	58%	0.58	50%	0.499	S	S	*	.	H	α-helix	trans	-63.3	-44.3	176.7	-177.8	-99.6	0	0	0	112	L24 L25 S31 L32	L24-Y28 WeakPolarHBondContact O-CB 3.2Å; L24-Y28 PolarHBondContact O-N 3.35Å; L25-Y28 PolarHBondContact O-N 3.39Å; Y28-S31 WeakPolarHBondContact CA-OG 3.38Å; Y28-S31 PolarHBondContact O-OG 3.48Å; Y28-L32 HydrophobicContact CD1-CD1 4.34Å; Y28-L32 HydrophobicContact CE1-CD1 3.56Å; Y28-L32 HydrophobicContact CE2-CD1 4.3Å; Y28-L32 WeakPolarHBondContact O-CB 3.17Å; Y28-L32 PolarHBondContact O-N 3.36Å; Y28-L32 WeakPolarHBondContact OH-CD1 3.19Å
29	V	50.4	Low	46.1	Very low	72 Å²	72	89.2 Å²	89.2	44%	0.436	51%	0.506	S	S	.	.	H	α-helix	trans	-66	-40.5	176.1	173	0	0	0	0	110.9	L25 L32 L33	L25-V29 WeakPolarHBondContact O-CB 3.25Å; L25-V29 VanDerWaalsContact O-CG2 3.29Å; L25-V29 WeakPolarHBondContact O-CG2 3.42Å; L25-V29 PolarHBondContact O-N 2.72Å; V29-L32 PolarHBondContact O-N 3.06Å; V29-L33 HydrophobicContact CG1-CD1 3.98Å; V29-L33 HydrophobicContact CG1-CG 4.41Å; V29-L33 WeakPolarHBondContact O-CB 3.39Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.3Å; V29-L33 PolarHBondContact O-N 3.39Å
30	A	51.7	Low	46.6	Very low	57 Å²	57	89.6 Å²	89.6	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.8	0	0	0	0	0	112.5	G26 L27 A34	G26-A30 VanDerWaalsContact O-CB 3.3Å; G26-A30 WeakPolarHBondContact O-CB 3.19Å; G26-A30 PolarHBondContact O-N 3.31Å; L27-A30 PolarHBondContact O-N 3.49Å; A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 2.88Å
31	S	51.2	Low	47.1	Very low	58 Å²	58	94.5 Å²	94.5	41%	0.406	52%	0.524	S	S	.	.	H	α-helix	trans	-69.2	-37.5	176.6	52.4	0	0	0	0	112.1	L27 Y28 A34 I35	L27-S31 WeakPolarHBondContact O-CB 3.01Å; L27-S31 PolarHBondContact O-N 3.13Å; L27-S31 PolarHBondContact O-OG 2.92Å; Y28-S31 WeakPolarHBondContact CA-OG 3.38Å; Y28-S31 PolarHBondContact O-OG 3.48Å; S31-A34 PolarHBondContact O-N 3.45Å; S31-I35 VanDerWaalsContact O-CG1 3.28Å; S31-I35 WeakPolarHBondContact O-CG1 3.39Å; S31-I35 PolarHBondContact O-N 3.29Å
32	L	50.3	Low	47.4	Very low	68 Å²	68	95.6 Å²	95.6	36%	0.356	53%	0.531	S	S	.	.	H	α-helix	trans	-67.4	-38.7	176.6	-149.4	142.1	0	0	0	111.6	Y28 V29 I35 I36	Y28-L32 HydrophobicContact CD1-CD1 4.34Å; Y28-L32 HydrophobicContact CE1-CD1 3.56Å; Y28-L32 HydrophobicContact CE2-CD1 4.3Å; Y28-L32 WeakPolarHBondContact O-CB 3.17Å; Y28-L32 PolarHBondContact O-N 3.36Å; Y28-L32 WeakPolarHBondContact OH-CD1 3.19Å; V29-L32 PolarHBondContact O-N 3.06Å; L32-I35 PolarHBondContact O-N 3.38Å; L32-I36 HydrophobicContact CD2-CD1 3.72Å; L32-I36 HydrophobicContact CD2-CG1 4.45Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.21Å; L32-I36 PolarHBondContact O-N 3.23Å
33	L	53.1	Low	47	Very low	108 Å²	108	89.6 Å²	89.6	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-65.7	-37.7	171	-73.2	172.1	0	0	0	112.4	V29 I36 A37	V29-L33 HydrophobicContact CG1-CD1 3.98Å; V29-L33 HydrophobicContact CG1-CG 4.41Å; V29-L33 WeakPolarHBondContact O-CB 3.39Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.3Å; V29-L33 PolarHBondContact O-N 3.39Å; L33-I36 PolarHBondContact O-N 3.37Å; L33-A37 VanDerWaalsContact O-CB 3.31Å; L33-A37 WeakPolarHBondContact O-CB 3.28Å; L33-A37 PolarHBondContact O-N 3.5Å
34	A	59.8	Low	46.5	Very low	49 Å²	49	90.1 Å²	90.1	41%	0.405	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-40.5	175.3	0	0	0	0	0	112	A30 S31 A37 L38	A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 2.88Å; S31-A34 PolarHBondContact O-N 3.45Å; A34-A37 PolarHBondContact O-N 2.89Å; A34-L38 WeakPolarHBondContact O-CB 3.4Å; A34-L38 WeakPolarHBondContact O-CG 3.34Å; A34-L38 PolarHBondContact O-N 2.72Å
35	I	57.6	Low	45.9	Very low	112 Å²	112	87.6 Å²	87.6	57%	0.574	55%	0.549	S	S	*	.	H	α-helix	trans	-64.9	-44	174.9	-68	164.6	0	0	0	110.7	S31 L32 L38 A39	S31-I35 VanDerWaalsContact O-CG1 3.28Å; S31-I35 WeakPolarHBondContact O-CG1 3.39Å; S31-I35 PolarHBondContact O-N 3.29Å; L32-I35 PolarHBondContact O-N 3.38Å; I35-L38 PolarHBondContact O-N 2.8Å; I35-A39 WeakPolarHBondContact O-CB 3.37Å; I35-A39 PolarHBondContact O-N 3.47Å
36	I	53.2	Low	45	Very low	74 Å²	74	88.1 Å²	88.1	38%	0.379	57%	0.567	S	S	.	*	H	α-helix	trans	-62.6	-43.7	175.8	-70.6	169.9	0	0	0	110.5	L32 L33 L38 A39 F40	L32-I36 HydrophobicContact CD2-CD1 3.72Å; L32-I36 HydrophobicContact CD2-CG1 4.45Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.21Å; L32-I36 PolarHBondContact O-N 3.23Å; L33-I36 PolarHBondContact O-N 3.37Å; I36-L38 VanDerWaalsContact C-N 3.35Å; I36-L38 PolarHBondContact O-N 2.87Å; I36-A39 WeakPolarHBondContact O-CB 3.46Å; I36-A39 PolarHBondContact O-N 3.47Å; I36-F40 HydrophobicContact CG2-CD2 3.62Å; I36-F40 HydrophobicContact CG2-CE2 3.48Å; I36-F40 VanDerWaalsContact CG2-CE2 3.48Å; I36-F40 WeakPolarHBondContact O-CD2 3.11Å; I36-F40 PolarHBondContact O-N 2.98Å
37	A	52.1	Low	44.4	Very low	47 Å²	47	95.2 Å²	95.2	39%	0.388	59%	0.586	S	S	.	*	H	α-helix	trans	-62.9	-40.1	176.5	0	0	0	0	0	112.2	L33 A34 F40 L41	L33-A37 VanDerWaalsContact O-CB 3.31Å; L33-A37 WeakPolarHBondContact O-CB 3.28Å; L33-A37 PolarHBondContact O-N 3.5Å; A34-A37 PolarHBondContact O-N 2.89Å; A37-F40 PolarHBondContact O-N 3.44Å; A37-L41 WeakPolarHBondContact O-CB 3.49Å; A37-L41 VanDerWaalsContact O-CG 3.31Å; A37-L41 WeakPolarHBondContact O-CG 3.39Å; A37-L41 PolarHBondContact O-N 2.76Å
38	L	49.2	Very low	43.5	Very low	105 Å²	105	96.1 Å²	96.1	55%	0.55	60%	0.599	S	S	.	*	H	α-helix	trans	-64.7	-39.9	173.3	-80.3	161.5	0	0	0	111.8	A34 I35 I36 F40 L41 C42	A34-L38 WeakPolarHBondContact O-CB 3.4Å; A34-L38 WeakPolarHBondContact O-CG 3.34Å; A34-L38 PolarHBondContact O-N 2.72Å; I35-L38 PolarHBondContact O-N 2.8Å; I36-L38 VanDerWaalsContact C-N 3.35Å; I36-L38 PolarHBondContact O-N 2.87Å; L38-F40 VanDerWaalsContact C-N 3.33Å; L38-F40 PolarHBondContact O-N 2.67Å; L38-L41 PolarHBondContact O-N 3.26Å; L38-C42 WeakPolarHBondContact O-CB 3.17Å; L38-C42 PolarHBondContact O-N 3.43Å; L38-C42 PolarHBondContact O-SG 3.44Å
39	A	43.5	Very low	42.6	Very low	64 Å²	64	92.7 Å²	92.7	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-63.5	-38.6	174.3	0	0	0	0	0	111.8	I35 I36 G43	I35-A39 WeakPolarHBondContact O-CB 3.37Å; I35-A39 PolarHBondContact O-N 3.47Å; I36-A39 WeakPolarHBondContact O-CB 3.46Å; I36-A39 PolarHBondContact O-N 3.47Å; A39-G43 PolarHBondContact O-N 2.66Å
40	F	41.4	Very low	41.5	Very low	170 Å²	170	98.8 Å²	98.8	75%	0.746	62%	0.624	S	S	*	*	H	α-helix	trans	-69.3	-31.9	173	-81.8	-67.9	0	0	0	113.1	I36 A37 L38	I36-F40 HydrophobicContact CG2-CD2 3.62Å; I36-F40 HydrophobicContact CG2-CE2 3.48Å; I36-F40 VanDerWaalsContact CG2-CE2 3.48Å; I36-F40 WeakPolarHBondContact O-CD2 3.11Å; I36-F40 PolarHBondContact O-N 2.98Å; A37-F40 PolarHBondContact O-N 3.44Å; L38-F40 VanDerWaalsContact C-N 3.33Å; L38-F40 PolarHBondContact O-N 2.67Å
41	L	42.4	Very low	40.2	Very low	143 Å²	143	99.9 Å²	99.9	75%	0.749	64%	0.641	S	S	*	*	H	α-helix	trans	-79.8	-28.6	178.3	-74.9	165.5	0	0	0	113.1	A37 L38	A37-L41 WeakPolarHBondContact O-CB 3.49Å; A37-L41 VanDerWaalsContact O-CG 3.31Å; A37-L41 WeakPolarHBondContact O-CG 3.39Å; A37-L41 PolarHBondContact O-N 2.76Å; L38-L41 PolarHBondContact O-N 3.26Å
42	C	37.6	Very low	39.1	Very low	110 Å²	110	102 Å²	102	74%	0.743	66%	0.662	S	S	*	*	H	α-helix	trans	-90.1	-7.4	177.3	-66.4	0	0	0	0	113.8	L38 G44	L38-C42 WeakPolarHBondContact O-CB 3.17Å; L38-C42 PolarHBondContact O-N 3.43Å; L38-C42 PolarHBondContact O-SG 3.44Å; C42-G44 VanDerWaalsContact C-N 3.32Å; C42-G44 PolarHBondContact O-N 3.24Å
43	G	31.2	Very low	37.9	Very low	59 Å²	59	104 Å²	104	61%	0.608	69%	0.689	S	S	*	*			trans	-87.4	25.2	178.8	0	0	0	0	0	115.7	A39 G45	A39-G43 PolarHBondContact O-N 2.66Å; G43-G45 VanDerWaalsContact C-N 3.29Å; G43-G45 PolarHBondContact O-N 2.94Å
44	G	27.9	Very low	36.6	Very low	81 Å²	81	102.5 Å²	102.5	84%	0.835	70%	0.699	S	S	*	*			trans	-73.7	70.1	-178.9	0	0	0	0	0	114	C42	C42-G44 VanDerWaalsContact C-N 3.32Å; C42-G44 PolarHBondContact O-N 3.24Å
45	G	29.7	Very low	35.4	Very low	70 Å²	70	104.7 Å²	104.7	72%	0.722	72%	0.718	S	S	*	*			trans	-110.6	132	168.2	0	0	0	0	0	110.8	G43	G43-G45 VanDerWaalsContact C-N 3.29Å; G43-G45 PolarHBondContact O-N 2.94Å
46	A	27.1	Very low	34.5	Very low	103 Å²	103	105.1 Å²	105.1	85%	0.851	73%	0.727	S	S	*	*			trans	-65.1	153.2	-161.4	0	0	0	0	0	117.2
47	K	26.9	Very low	33.1	Very low	191 Å²	191	106.3 Å²	106.3	83%	0.83	75%	0.748	S	S	*	*			trans	-41.3	154.8	168.8	-85.7	174.3	169.3	173.7	0	114.9
48	P	28.9	Very low	31.8	Very low	130 Å²	130	107.1 Å²	107.1	84%	0.844	76%	0.761	S	S	*	*				-121.6	133.8	109.2	29.3	-19	0	0	0	111.2
49	A	29.3	Very low	30.7	Very low	76 Å²	76	110.6 Å²	110.6	63%	0.628	78%	0.78	S	S	*	*			trans	-81.7	135.1	170.6	0	0	0	0	0	109.2
50	E	28	Very low	29.9	Very low	199 Å²	199	112.2 Å²	112.2	93%	0.93	79%	0.794	S	S	*	*			trans	-159	108.8	149.1	-110.7	169	-155.2	0	0	107.4
51	G	24.4	Very low	29.3	Very low	80 Å²	80	108.9 Å²	108.9	83%	0.825	80%	0.798	S	S	*	*			trans	-86.4	151.6	171.8	0	0	0	0	0	110.3
52	A	26.7	Very low	28.4	Very low	102 Å²	102	106.9 Å²	106.9	84%	0.843	80%	0.802	S	S	*	*			trans	-158.9	121.8	143.8	0	0	0	0	0	108.6
53	A	25.6	Very low	28.1	Very low	112 Å²	112	107.7 Å²	107.7	93%	0.926	81%	0.806	S	S	*	*			trans	-59.6	153.3	173.8	0	0	0	0	0	112.5
54	G	26.9	Very low	27.8	Very low	76 Å²	76	109.9 Å²	109.9	78%	0.784	82%	0.818	S	S	*	*			trans	-178.4	67.3	170	0	0	0	0	0	113
55	A	34.7	Very low	27.6	Very low	95 Å²	95	110 Å²	110	79%	0.785	82%	0.82	S	S	*	*			trans	-74	147.8	146.7	0	0	0	0	0	106.8
56	P	38.2	Very low	27.3	Very low	120 Å²	120	110.7 Å²	110.7	78%	0.779	83%	0.826	S	S	*	*				-156.8	175.4	74.7	40.2	-19.5	0	0	0	117.1
57	A	23.9	Very low	27.2	Very low	99 Å²	99	110.5 Å²	110.5	82%	0.818	83%	0.825	S	S	*	*			trans	59.6	122.9	141.8	0	0	0	0	0	118.1
58	G	24.2	Very low	27.2	Very low	64 Å²	64	107 Å²	107	66%	0.66	83%	0.831	S	S	*	*			cis	125.8	131.9	36	0	0	0	0	0	106
59	D	27.3	Very low	27	Very low	178 Å²	178	104.4 Å²	104.4	95%	0.952	83%	0.829	S	S	*	*			trans	-168.7	136.3	144.4	-100.3	-27.4	0	0	0	111.2
60	A	25.9	Very low	26.7	Very low	98 Å²	98	104.4 Å²	104.4	81%	0.81	84%	0.835	S	S	*	*			trans	-89	148.3	-174.8	0	0	0	0	0	111.2
61	A	28.2	Very low	26.5	Very low	100 Å²	100	103.2 Å²	103.2	83%	0.826	84%	0.836	S	S	*	*			trans	-159.1	106.6	148.7	0	0	0	0	0	109.6
62	A	24.6	Very low	26.6	Very low	101 Å²	101	107.3 Å²	107.3	84%	0.835	83%	0.831	S	S	*	*			trans	-77.3	148.6	170.7	0	0	0	0	0	111.4
63	P	30.6	Very low	26.6	Very low	128 Å²	128	107.3 Å²	107.3	83%	0.831	82%	0.822	S	S	*	*			trans	-105.3	132.9	148.7	25	-10.3	0	0	0	110.9
64	A	24.6	Very low	26.7	Very low	105 Å²	105	108.1 Å²	108.1	87%	0.868	82%	0.818	S	S	*	*			trans	-81.2	161.2	-178.1	0	0	0	0	0	113.9
65	G	23.9	Very low	26.8	Very low	84 Å²	84	110.4 Å²	110.4	87%	0.866	81%	0.812	S	S	*	*			trans	90.5	117.4	159.7	0	0	0	0	0	113.3
66	G	23.9	Very low	26.7	Very low	83 Å²	83	108.9 Å²	108.9	86%	0.856	80%	0.799	S	S	*	*			cis	128.3	96.1	25.8	0	0	0	0	0	107.4
67	A	25	Very low	26.3	Very low	100 Å²	100	106.4 Å²	106.4	83%	0.826	78%	0.784	S	S	*	*			trans	-165.6	95.6	155.8	0	0	0	0	0	107.8	G69	A67-G69 PolarHBondContact O-N 2.73Å
68	A	26.4	Very low	26.8	Very low	116 Å²	116	106 Å²	106	96%	0.959	77%	0.767	S	S	*	*			trans	-60	128.1	166	0	0	0	0	0	109.2
69	G	24.2	Very low	27.2	Very low	77 Å²	77	108.8 Å²	108.8	79%	0.794	77%	0.766	S	S	*	*			trans	-163.6	72.8	-179	0	0	0	0	0	111.8	A67	A67-G69 PolarHBondContact O-N 2.73Å
70	G	23	Very low	27.6	Very low	75 Å²	75	102.7 Å²	102.7	77%	0.773	74%	0.735	S	S	*	*			trans	65.3	97.1	151.6	0	0	0	0	0	116.9	K72	G70-K72 PolarHBondContact O-N 3.15Å
71	D	24.8	Very low	27.7	Very low	175 Å²	175	102 Å²	102	94%	0.936	72%	0.721	S	S	*	*			trans	-49	98.8	169.4	-65.6	-49.2	0	0	0	112.6
72	K	25.3	Very low	27.7	Very low	166 Å²	166	101.1 Å²	101.1	72%	0.722	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-94.9	128.3	146.4	-144.1	176	-175.1	-174.3	0	105.3	G70	G70-K72 PolarHBondContact O-N 3.15Å
73	P	27.1	Very low	28	Very low	102 Å²	102	106.4 Å²	106.4	66%	0.662	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-50.4	139.5	180	21.3	-32.4	0	0	0	108.8	D75	P73-D75 PolarHBondContact O-N 3.06Å
74	P	28	Very low	27.9	Very low	128 Å²	128	104.1 Å²	104.1	83%	0.831	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-49.7	118.9	-171.8	19.1	-31.4	0	0	0	108.8	A76	P74-A76 PolarHBondContact O-N 2.71Å
75	D	29.9	Very low	28.2	Very low	125 Å²	125	103.7 Å²	103.7	67%	0.668	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-51.9	130.1	177.6	-78.8	-44.7	0	0	0	107.8	P73	P73-D75 PolarHBondContact O-N 3.06Å
76	A	31.5	Very low	28.4	Very low	62 Å²	62	105.6 Å²	105.6	51%	0.512	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-46.8	129.1	-178.1	0	0	0	0	0	109.4	P74 N78	P74-A76 PolarHBondContact O-N 2.71Å; A76-N78 PolarHBondContact O-N 3.06Å; A76-N78 VanDerWaalsContact O-N 3.1Å
77	P	30.7	Very low	28.9	Very low	69 Å²	69	105 Å²	105	45%	0.448	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-58.1	122.3	-164.5	20	-31.7	0	0	0	111.1	I79	P77-I79 PolarHBondContact O-N 2.89Å; P77-I79 VanDerWaalsContact O-N 3.07Å
78	N	33.8	Very low	29.2	Very low	89 Å²	89	102.8 Å²	102.8	48%	0.476	61%	0.613	S	S	.	*			trans	-66.6	103	-170.6	-167	-22.3	0	0	0	110.6	A76 T80	A76-N78 PolarHBondContact O-N 3.06Å; A76-N78 VanDerWaalsContact O-N 3.1Å; N78-T80 PolarHBondContact O-N 2.77Å; N78-T80 PolarHBondContact OD1-N 3.17Å; N78-T80 PolarHBondContact OD1-OG1 3.08Å
79	I	33.1	Very low	29.4	Very low	124 Å²	124	101.9 Å²	101.9	64%	0.636	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-23.5	-178.3	-66.4	168.5	0	0	0	112.4	P77	P77-I79 PolarHBondContact O-N 2.89Å; P77-I79 VanDerWaalsContact O-N 3.07Å
80	T	33.9	Very low	29.9	Very low	49 Å²	49	102.7 Å²	102.7	30%	0.301	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.5	-15.3	-164.8	59.5	0	0	0	0	116.6	N78 F82 W83	N78-T80 PolarHBondContact O-N 2.77Å; N78-T80 PolarHBondContact OD1-N 3.17Å; N78-T80 PolarHBondContact OD1-OG1 3.08Å; T80-F82 PolarHBondContact O-N 2.79Å; T80-W83 PolarHBondContact O-N 2.84Å
81	T	29.7	Very low	30.4	Very low	83 Å²	83	109.1 Å²	109.1	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-64	-28.9	172.6	-10.9	0	0	0	0	111.3	W83 C84 D85	T81-W83 PolarHBondContact O-N 2.72Å; T81-C84 PolarHBondContact O-N 3.44Å; T81-D85 PolarHBondContact O-N 2.84Å; T81-D85 VanDerWaalsContact O-N 3.15Å
82	F	28	Very low	30.5	Very low	82 Å²	82	105.2 Å²	105.2	36%	0.36	57%	0.569	S	S	.	*	H	α-helix	trans	-62.7	-37.7	-179.8	-165	-95.4	0	0	0	114.4	T80 D85 M86 L105 V109	T80-F82 PolarHBondContact O-N 2.79Å; F82-D85 PolarHBondContact O-N 3.05Å; F82-M86 HydrophobicContact CD1-CG 4.34Å; F82-M86 HydrophobicContact CE1-CG 4.11Å; F82-M86 PolarHBondContact O-N 3.07Å; F82-M86 VanDerWaalsContact O-N 3.13Å; F82-L105 HydrophobicContact CE2-CD1 4.36Å; F82-L105 HydrophobicContact CE2-CD2 3.41Å; F82-L105 VanDerWaalsContact CE2-CD2 3.41Å; F82-L105 HydrophobicContact CE2-CG 3.77Å; F82-L105 HydrophobicContact CZ-CD2 3.52Å; F82-L105 HydrophobicContact CZ-CG 4.34Å; F82-V109 HydrophobicContact CZ-CG2 4.38Å
83	W	29.9	Very low	30.7	Very low	213 Å²	213	109.1 Å²	109.1	81%	0.807	58%	0.58	S	S	*	*	H	α-helix	trans	-76.8	-29.1	-178.1	-81.3	70.2	0	0	0	112.5	T80 T81	T80-W83 PolarHBondContact O-N 2.84Å; T81-W83 PolarHBondContact O-N 2.72Å
84	C	29.2	Very low	31.2	Very low	79 Å²	79	109.1 Å²	109.1	53%	0.534	58%	0.582	S	S	.	*	H	α-helix	trans	-71.3	-37	170.7	-75.2	0	0	0	0	111.5	T81 S87 T88	T81-C84 PolarHBondContact O-N 3.44Å; C84-S87 PolarHBondContact O-N 3.36Å; C84-S87 PolarHBondContact O-OG 2.83Å; C84-T88 PolarHBondContact O-N 3.48Å; C84-T88 PolarHBondContact O-OG1 2.84Å
85	D	30	Very low	31.2	Very low	96 Å²	96	110.8 Å²	110.8	51%	0.513	58%	0.576	S	S	.	*	H	α-helix	trans	-69.6	-35	179.3	-85.9	-13.7	0	0	0	113.3	T81 F82 S87 T88 V89	T81-D85 PolarHBondContact O-N 2.84Å; T81-D85 VanDerWaalsContact O-N 3.15Å; F82-D85 PolarHBondContact O-N 3.05Å; D85-S87 PolarHBondContact O-N 2.81Å; D85-T88 VanDerWaalsContact CA-OG1 3.28Å; D85-T88 WeakPolarHBondContact CA-OG1 3.5Å; D85-T88 CarbonylContact O-C 3.54Å; D85-T88 WeakPolarHBondContact O-CA 3.22Å; D85-T88 PolarHBondContact O-N 3.29Å; D85-T88 PolarHBondContact O-OG1 2.82Å; D85-T88 VanDerWaalsContact O-OG1 3.12Å; D85-V89 WeakPolarHBondContact O-CG2 3.26Å; D85-V89 PolarHBondContact O-N 2.89Å
86	M	29.3	Very low	31.4	Very low	124 Å²	124	111 Å²	111	61%	0.611	58%	0.584	S	S	*	*	H	α-helix	trans	-57.9	-34	174.4	-78.6	-89.6	-81.8	0	0	113.1	F82	F82-M86 HydrophobicContact CD1-CG 4.34Å; F82-M86 HydrophobicContact CE1-CG 4.11Å; F82-M86 PolarHBondContact O-N 3.07Å; F82-M86 VanDerWaalsContact O-N 3.13Å
87	S	34	Very low	31.7	Very low	72 Å²	72	113.2 Å²	113.2	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-75.4	-23.7	175.1	75.6	0	0	0	0	113.3	C84 D85 S90	C84-S87 PolarHBondContact O-N 3.36Å; C84-S87 PolarHBondContact O-OG 2.83Å; D85-S87 PolarHBondContact O-N 2.81Å; S87-S90 PolarHBondContact O-OG 3.03Å; S87-S90 VanDerWaalsContact O-OG 3.06Å
88	T	30.9	Very low	32	Very low	52 Å²	52	115.8 Å²	115.8	32%	0.319	61%	0.61	S	S	.	*	H	α-helix	trans	-89.6	-27.3	177.4	17.3	0	0	0	0	113	C84 D85 S90 R91 N92	C84-T88 PolarHBondContact O-N 3.48Å; C84-T88 PolarHBondContact O-OG1 2.84Å; D85-T88 VanDerWaalsContact CA-OG1 3.28Å; D85-T88 WeakPolarHBondContact CA-OG1 3.5Å; D85-T88 CarbonylContact O-C 3.54Å; D85-T88 WeakPolarHBondContact O-CA 3.22Å; D85-T88 PolarHBondContact O-N 3.29Å; D85-T88 PolarHBondContact O-OG1 2.82Å; D85-T88 VanDerWaalsContact O-OG1 3.12Å; T88-S90 PolarHBondContact O-N 3.19Å; T88-R91 PolarHBondContact O-N 3.33Å; T88-N92 PolarHBondContact O-N 2.83Å
89	V	30.3	Very low	32	Very low	97 Å²	97	116.8 Å²	116.8	59%	0.588	62%	0.616	S	S	*	*	H	α-helix	trans	-58.2	-32.1	172.1	172.6	0	0	0	0	111.4	D85	D85-V89 WeakPolarHBondContact O-CG2 3.26Å; D85-V89 PolarHBondContact O-N 2.89Å
90	S	36.3	Very low	32.1	Very low	95 Å²	95	114 Å²	114	66%	0.664	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-16	174.5	66.3	0	0	0	0	114.3	S87 T88	S87-S90 PolarHBondContact O-OG 3.03Å; S87-S90 VanDerWaalsContact O-OG 3.06Å; T88-S90 PolarHBondContact O-N 3.19Å
91	R	32.9	Very low	32.3	Very low	209 Å²	209	114.3 Å²	114.3	79%	0.789	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	-20.6	-172.4	-77.9	-177.4	171.6	174.8	-1.8	115.8	T88	T88-R91 PolarHBondContact O-N 3.33Å
92	N	26.9	Very low	32.9	Very low	94 Å²	94	115.1 Å²	115.1	50%	0.503	62%	0.62	S	S	.	*			trans	-115.2	47	-171.8	-74.5	-18.2	0	0	0	114.5	T88 S94	T88-N92 PolarHBondContact O-N 2.83Å; N92-S94 PolarHBondContact O-N 3.18Å
93	R	30.5	Very low	33.4	Very low	248 Å²	248	118 Å²	118	94%	0.936	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	9.4	172.1	-85.5	-171.1	178.4	-174.5	0	115.4
94	S	35.8	Very low	33.9	Very low	101 Å²	101	112.9 Å²	112.9	71%	0.706	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	10.6	-172.8	54.2	0	0	0	0	116.5	N92	N92-S94 PolarHBondContact O-N 3.18Å
95	K	28.4	Very low	34.3	Very low	163 Å²	163	112.2 Å²	112.2	71%	0.709	61%	0.614	S	S	*	*			trans	-137.1	108.2	170.7	-71.7	-171.4	178.8	-179	0	112.2	S97	K95-S97 PolarHBondContact O-N 3.03Å
96	P	35.6	Very low	34.7	Very low	129 Å²	129	112 Å²	112	84%	0.838	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-77.8	-4.4	-171.4	-14.8	29.6	0	0	0	116.7
97	S	36.2	Very low	35.5	Very low	110 Å²	110	108.8 Å²	108.8	77%	0.769	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-96.3	6.9	-166.2	64.6	0	0	0	0	116.9	K95	K95-S97 PolarHBondContact O-N 3.03Å
98	V	37.2	Very low	35.8	Very low	123 Å²	123	112.8 Å²	112.8	75%	0.745	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-144.2	44.9	175.5	-159.1	0	0	0	0	112.2
99	N	34.7	Very low	36.2	Very low	110 Å²	110	113.8 Å²	113.8	59%	0.588	62%	0.615	S	S	*	*			trans	-119.9	102.6	173	-78	-31.9	0	0	0	109.4
100	P	34.6	Very low	36.9	Very low	65 Å²	65	118.1 Å²	118.1	42%	0.422	62%	0.621	S	S	.	*			trans	-61.9	139.5	171.5	25.1	-30.9	0	0	0	109.4	E104 L105	P100-E104 WeakPolarHBondContact CB-OE2 3.29Å; P100-L105 HydrophobicContact CG-CD1 4.19Å
101	A	39.3	Very low	37.4	Very low	55 Å²	55	119.4 Å²	119.4	46%	0.455	62%	0.616	S	S	.	*			trans	-62.6	147.4	-174.1	0	0	0	0	0	110.7	L103 E104 L105	A101-L103 PolarHBondContact O-N 2.86Å; A101-E104 WeakPolarHBondContact O-CA 3.11Å; A101-E104 VanDerWaalsContact O-CB 3.3Å; A101-E104 WeakPolarHBondContact O-CB 3.42Å; A101-E104 PolarHBondContact O-N 2.86Å; A101-L105 PolarHBondContact O-N 3.21Å
102	P	41.1	Very low	37.8	Very low	101 Å²	101	112.9 Å²	112.9	66%	0.656	59%	0.594	S	S	*	*	H	α-helix	trans	-52	-31.6	-178.4	-27.4	33.5	0	0	0	114.3	L105 I106	P102-L105 VanDerWaalsContact O-CB 3.31Å; P102-L105 WeakPolarHBondContact O-CB 3.34Å; P102-L105 PolarHBondContact O-N 2.83Å; P102-I106 VanDerWaalsContact O-CG1 3.32Å; P102-I106 WeakPolarHBondContact O-CG1 3.04Å; P102-I106 PolarHBondContact O-N 3.32Å
103	L	39.5	Very low	38.6	Very low	141 Å²	141	112.4 Å²	112.4	74%	0.738	59%	0.592	S	S	*	*	H	α-helix	trans	-66.5	-38.4	176	-81	159.9	0	0	0	113	A101 L105 I106 A107	A101-L103 PolarHBondContact O-N 2.86Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-I106 PolarHBondContact O-N 2.86Å; L103-A107 WeakPolarHBondContact O-CB 3.04Å; L103-A107 PolarHBondContact O-N 2.93Å
104	E	39.4	Very low	39.6	Very low	106 Å²	106	103.4 Å²	103.4	50%	0.495	57%	0.57	S	S	.	*	H	α-helix	trans	-66.5	-36.1	174.5	-133.1	-179.3	176.8	0	0	110.7	P100 A101 A107 R108	P100-E104 WeakPolarHBondContact CB-OE2 3.29Å; A101-E104 WeakPolarHBondContact O-CA 3.11Å; A101-E104 VanDerWaalsContact O-CB 3.3Å; A101-E104 WeakPolarHBondContact O-CB 3.42Å; A101-E104 PolarHBondContact O-N 2.86Å; E104-A107 PolarHBondContact O-N 3.4Å; E104-R108 PolarHBondContact O-N 2.86Å
105	L	37.8	Very low	39.9	Very low	66 Å²	66	103.3 Å²	103.3	35%	0.346	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-46.3	175.2	-135.6	99.3	0	0	0	111.6	F82 P100 A101 P102 L103 R108 V109	F82-L105 HydrophobicContact CE2-CD1 4.36Å; F82-L105 HydrophobicContact CE2-CD2 3.41Å; F82-L105 VanDerWaalsContact CE2-CD2 3.41Å; F82-L105 HydrophobicContact CE2-CG 3.77Å; F82-L105 HydrophobicContact CZ-CD2 3.52Å; F82-L105 HydrophobicContact CZ-CG 4.34Å; P100-L105 HydrophobicContact CG-CD1 4.19Å; A101-L105 PolarHBondContact O-N 3.21Å; P102-L105 VanDerWaalsContact O-CB 3.31Å; P102-L105 WeakPolarHBondContact O-CB 3.34Å; P102-L105 PolarHBondContact O-N 2.83Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L105-R108 PolarHBondContact O-N 3.27Å; L105-V109 WeakPolarHBondContact O-CG2 3.48Å; L105-V109 PolarHBondContact O-N 3.14Å
106	I	39.2	Very low	40.8	Very low	92 Å²	92	99.6 Å²	99.6	47%	0.472	55%	0.549	S	S	.	.	H	α-helix	trans	-65.6	-40.1	177.1	-67.7	165.7	0	0	0	110.7	P102 L103 V109 R110	P102-I106 VanDerWaalsContact O-CG1 3.32Å; P102-I106 WeakPolarHBondContact O-CG1 3.04Å; P102-I106 PolarHBondContact O-N 3.32Å; L103-I106 PolarHBondContact O-N 2.86Å; I106-V109 PolarHBondContact O-N 2.9Å; I106-R110 WeakPolarHBondContact O-CG 3.35Å; I106-R110 PolarHBondContact O-N 3.5Å
107	A	44.4	Very low	41.6	Very low	56 Å²	56	98.9 Å²	98.9	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-46.2	175.7	0	0	0	0	0	111.2	L103 E104 R110 E111	L103-A107 WeakPolarHBondContact O-CB 3.04Å; L103-A107 PolarHBondContact O-N 2.93Å; E104-A107 PolarHBondContact O-N 3.4Å; A107-R110 PolarHBondContact O-N 2.91Å; A107-E111 WeakPolarHBondContact O-CB 2.82Å; A107-E111 PolarHBondContact O-N 3.47Å
108	R	40.2	Very low	42.4	Very low	156 Å²	156	97.4 Å²	97.4	59%	0.589	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-38.4	176.6	-78.1	-175.4	-179.9	177	3.9	113.4	E104 L105 R110 E111 Q112	E104-R108 PolarHBondContact O-N 2.86Å; L105-R108 PolarHBondContact O-N 3.27Å; R108-R110 VanDerWaalsContact C-N 3.34Å; R108-E111 PolarHBondContact O-N 3.4Å; R108-Q112 WeakPolarHBondContact O-CB 3.24Å; R108-Q112 WeakPolarHBondContact O-CG 3.01Å; R108-Q112 PolarHBondContact O-N 3.38Å
109	V	40.6	Very low	42.7	Very low	72 Å²	72	95.6 Å²	95.6	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-41.7	174.8	170.9	0	0	0	0	110.7	F82 L105 I106 Q112 D113	F82-V109 HydrophobicContact CZ-CG2 4.38Å; L105-V109 WeakPolarHBondContact O-CG2 3.48Å; L105-V109 PolarHBondContact O-N 3.14Å; I106-V109 PolarHBondContact O-N 2.9Å; V109-Q112 PolarHBondContact O-N 3.14Å; V109-D113 WeakPolarHBondContact O-CB 3.38Å; V109-D113 PolarHBondContact O-N 3.4Å
110	R	43.9	Very low	43.4	Very low	189 Å²	189	95.4 Å²	95.4	71%	0.713	51%	0.506	S	S	*	.	H	α-helix	trans	-67.5	-38.8	176.1	-76.2	-174.6	171.5	-173.9	-1.2	112.6	I106 A107 R108 Q112 D113 A114	I106-R110 WeakPolarHBondContact O-CG 3.35Å; I106-R110 PolarHBondContact O-N 3.5Å; A107-R110 PolarHBondContact O-N 2.91Å; R108-R110 VanDerWaalsContact C-N 3.34Å; R110-Q112 VanDerWaalsContact C-N 3.34Å; R110-D113 PolarHBondContact O-N 3.12Å; R110-A114 WeakPolarHBondContact O-CB 3.44Å; R110-A114 PolarHBondContact O-N 3.47Å
111	E	46.7	Very low	44.7	Very low	121 Å²	121	96.8 Å²	96.8	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-66.3	-37.2	176.4	-159.3	172.7	-153.5	0	0	111.4	A107 R108 A114 Q115	A107-E111 WeakPolarHBondContact O-CB 2.82Å; A107-E111 PolarHBondContact O-N 3.47Å; R108-E111 PolarHBondContact O-N 3.4Å; E111-A114 PolarHBondContact O-N 3.4Å; E111-Q115 WeakPolarHBondContact O-CG 3.44Å; E111-Q115 PolarHBondContact O-N 3.3Å
112	Q	41.5	Very low	45.4	Very low	72 Å²	72	99.6 Å²	99.6	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-72.8	-38.9	174.1	-74.5	-175.3	-6.1	0	0	113.3	R108 V109 R110 A114 Q115 V116	R108-Q112 WeakPolarHBondContact O-CB 3.24Å; R108-Q112 WeakPolarHBondContact O-CG 3.01Å; R108-Q112 PolarHBondContact O-N 3.38Å; V109-Q112 PolarHBondContact O-N 3.14Å; R110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-A114 VanDerWaalsContact C-N 3.26Å; Q112-A114 PolarHBondContact O-N 3.44Å; Q112-Q115 PolarHBondContact O-N 3.04Å; Q112-V116 WeakPolarHBondContact O-CG2 3.35Å; Q112-V116 PolarHBondContact O-N 3.26Å
113	D	44.8	Very low	45.8	Very low	85 Å²	85	96.2 Å²	96.2	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-38.1	172.9	-165.1	54.5	0	0	0	110.7	V109 R110 K117	V109-D113 WeakPolarHBondContact O-CB 3.38Å; V109-D113 PolarHBondContact O-N 3.4Å; R110-D113 PolarHBondContact O-N 3.12Å; D113-K117 WeakPolarHBondContact O-CB 3.34Å; D113-K117 PolarHBondContact O-N 3.18Å; D113-K117 IonicContact OD2-NZ 3.33Å; D113-K117 PolarHBondContact OD2-NZ 3.26Å
114	A	50.5	Low	46.5	Very low	58 Å²	58	96.7 Å²	96.7	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-64.2	-43.3	172.2	0	0	0	0	0	112	R110 E111 Q112 K117 C118	R110-A114 WeakPolarHBondContact O-CB 3.44Å; R110-A114 PolarHBondContact O-N 3.47Å; E111-A114 PolarHBondContact O-N 3.4Å; Q112-A114 VanDerWaalsContact C-N 3.26Å; Q112-A114 PolarHBondContact O-N 3.44Å; A114-K117 PolarHBondContact O-N 3.38Å; A114-C118 VanDerWaalsContact O-CB 3.3Å; A114-C118 WeakPolarHBondContact O-CB 3.15Å; A114-C118 PolarHBondContact O-N 3.02Å
115	Q	43.6	Very low	47.6	Very low	100 Å²	100	96.6 Å²	96.6	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-66.2	-42	177.4	-75.6	175.4	10.2	0	0	112.7	E111 Q112 C118 L119	E111-Q115 WeakPolarHBondContact O-CG 3.44Å; E111-Q115 PolarHBondContact O-N 3.3Å; Q112-Q115 PolarHBondContact O-N 3.04Å; Q115-C118 PolarHBondContact O-N 3.44Å; Q115-L119 WeakPolarHBondContact O-CB 3.13Å; Q115-L119 PolarHBondContact O-N 3.34Å
116	V	46.4	Very low	48.4	Very low	84 Å²	84	95.1 Å²	95.1	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-41.9	176.9	172.6	0	0	0	0	110.6	Q112 L119 L120	Q112-V116 WeakPolarHBondContact O-CG2 3.35Å; Q112-V116 PolarHBondContact O-N 3.26Å; V116-L119 PolarHBondContact O-N 3.39Å; V116-L120 HydrophobicContact CG1-CD1 3.96Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-L120 WeakPolarHBondContact O-CB 3.44Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 3.36Å; V116-L120 PolarHBondContact O-N 2.72Å
117	K	51.5	Low	49	Very low	114 Å²	114	95.5 Å²	95.5	50%	0.496	48%	0.484	S	S	.	.	H	α-helix	trans	-61.5	-46.8	172.6	-84.5	173.7	179.4	141.7	0	111.9	D113 A114 L119 L120 D121	D113-K117 WeakPolarHBondContact O-CB 3.34Å; D113-K117 PolarHBondContact O-N 3.18Å; D113-K117 IonicContact OD2-NZ 3.33Å; D113-K117 PolarHBondContact OD2-NZ 3.26Å; A114-K117 PolarHBondContact O-N 3.38Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 3.24Å; K117-L120 PolarHBondContact O-N 2.66Å; K117-L120 VanDerWaalsContact O-N 3.17Å; K117-D121 WeakPolarHBondContact O-CB 3.49Å; K117-D121 VanDerWaalsContact O-CG 3.32Å; K117-D121 PolarHBondContact O-N 3.18Å
118	C	53	Low	49.8	Very low	80 Å²	80	98.5 Å²	98.5	54%	0.541	49%	0.486	S	S	.	.	H	α-helix	trans	-59.9	-40	178.5	-145.6	0	0	0	0	111.7	A114 Q115 D121 E122	A114-C118 VanDerWaalsContact O-CB 3.3Å; A114-C118 WeakPolarHBondContact O-CB 3.15Å; A114-C118 PolarHBondContact O-N 3.02Å; Q115-C118 PolarHBondContact O-N 3.44Å; C118-D121 PolarHBondContact O-N 3.03Å; C118-E122 WeakPolarHBondContact O-CB 3.48Å; C118-E122 PolarHBondContact O-N 3.3Å
119	L	44.9	Very low	50.3	Low	84 Å²	84	95.1 Å²	95.1	44%	0.44	48%	0.482	S	S	.	.	H	α-helix	trans	-71.5	-35.8	177.7	-153.2	131.9	0	0	0	112.3	Q115 V116 K117 T123	Q115-L119 WeakPolarHBondContact O-CB 3.13Å; Q115-L119 PolarHBondContact O-N 3.34Å; V116-L119 PolarHBondContact O-N 3.39Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 3.24Å; L119-T123 VanDerWaalsContact O-CB 3.3Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 3.01Å; L119-T123 PolarHBondContact O-OG1 3.2Å
120	L	49.3	Very low	50.6	Low	106 Å²	106	94.6 Å²	94.6	56%	0.555	48%	0.475	S	S	*	.	H	α-helix	trans	-67.3	-39.1	172.3	-75.9	170.2	0	0	0	111.7	V116 K117 T123 K124	V116-L120 HydrophobicContact CG1-CD1 3.96Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-L120 WeakPolarHBondContact O-CB 3.44Å; V116-L120 VanDerWaalsContact O-CG 3.29Å; V116-L120 WeakPolarHBondContact O-CG 3.36Å; V116-L120 PolarHBondContact O-N 2.72Å; K117-L120 PolarHBondContact O-N 2.66Å; K117-L120 VanDerWaalsContact O-N 3.17Å; L120-T123 WeakPolarHBondContact O-CB 3.27Å; L120-T123 PolarHBondContact O-N 2.83Å; L120-K124 WeakPolarHBondContact O-CB 3.29Å; L120-K124 PolarHBondContact O-N 2.83Å
121	D	61.1	Low	50.9	Low	94 Å²	94	95.7 Å²	95.7	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-69.4	-45.9	177.3	-70.9	-26.8	0	0	0	111	K117 C118 T123 K124 D125	K117-D121 WeakPolarHBondContact O-CB 3.49Å; K117-D121 VanDerWaalsContact O-CG 3.32Å; K117-D121 PolarHBondContact O-N 3.18Å; C118-D121 PolarHBondContact O-N 3.03Å; D121-T123 VanDerWaalsContact C-N 3.28Å; D121-T123 PolarHBondContact O-N 3.42Å; D121-K124 WeakPolarHBondContact O-CB 3.26Å; D121-K124 PolarHBondContact O-N 3.48Å; D121-K124 VanDerWaalsContact O-N 3.09Å; D121-D125 PolarHBondContact O-N 3.18Å
122	E	54.4	Low	51.3	Low	114 Å²	114	96.5 Å²	96.5	53%	0.533	48%	0.483	S	S	.	.	H	α-helix	trans	-57.2	-42	170.8	-85.5	-170	153.7	0	0	111.6	C118 K124 D125 I126	C118-E122 WeakPolarHBondContact O-CB 3.48Å; C118-E122 PolarHBondContact O-N 3.3Å; E122-K124 VanDerWaalsContact C-N 3.3Å; E122-K124 PolarHBondContact O-N 2.94Å; E122-D125 PolarHBondContact O-N 3.41Å; E122-I126 WeakPolarHBondContact O-CB 3.42Å; E122-I126 WeakPolarHBondContact O-CD1 3.41Å; E122-I126 WeakPolarHBondContact O-CG1 3.16Å; E122-I126 PolarHBondContact O-N 3.29Å
123	T	48.4	Very low	52	Low	30 Å²	30	96 Å²	96	18%	0.184	49%	0.488	C	S	.	.	H	α-helix	trans	-61.7	-41.7	176.9	-60.6	0	0	0	0	111.1	L119 L120 D121 M127 L143	L119-T123 VanDerWaalsContact O-CB 3.3Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 3.01Å; L119-T123 PolarHBondContact O-OG1 3.2Å; L120-T123 WeakPolarHBondContact O-CB 3.27Å; L120-T123 PolarHBondContact O-N 2.83Å; D121-T123 VanDerWaalsContact C-N 3.28Å; D121-T123 PolarHBondContact O-N 3.42Å; T123-M127 VanDerWaalsContact O-CB 3.3Å; T123-M127 WeakPolarHBondContact O-CB 3.33Å; T123-M127 WeakPolarHBondContact O-CG 3.44Å; T123-M127 PolarHBondContact O-N 2.96Å; T123-L143 HydrophobicContact CG2-CD2 3.98Å
124	K	54.9	Low	52.1	Low	151 Å²	151	95.3 Å²	95.3	66%	0.657	50%	0.5	S	S	*	.	H	α-helix	trans	-67.4	-42	-180	-160.8	179.5	-178.6	-174.9	0	111.3	L120 D121 E122 M127 K128	L120-K124 WeakPolarHBondContact O-CB 3.29Å; L120-K124 PolarHBondContact O-N 2.83Å; D121-K124 WeakPolarHBondContact O-CB 3.26Å; D121-K124 PolarHBondContact O-N 3.48Å; D121-K124 VanDerWaalsContact O-N 3.09Å; E122-K124 VanDerWaalsContact C-N 3.3Å; E122-K124 PolarHBondContact O-N 2.94Å; K124-M127 PolarHBondContact O-N 3.31Å; K124-K128 WeakPolarHBondContact O-CB 3.42Å; K124-K128 PolarHBondContact O-N 3.28Å
125	D	63	Low	51.9	Low	105 Å²	105	96 Å²	96	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-67.8	-43.8	177	-75.5	-15.9	0	0	0	111.8	D121 E122 M127 K128 V129	D121-D125 PolarHBondContact O-N 3.18Å; E122-D125 PolarHBondContact O-N 3.41Å; D125-M127 PolarHBondContact O-N 3.39Å; D125-K128 WeakPolarHBondContact O-CB 3.49Å; D125-K128 PolarHBondContact O-N 3.3Å; D125-V129 WeakPolarHBondContact O-CG2 3.32Å; D125-V129 PolarHBondContact O-N 2.8Å
126	I	53.9	Low	52	Low	34 Å²	34	96 Å²	96	17%	0.174	51%	0.508	C	S	.	.	H	α-helix	trans	-63.7	-41.3	176	-68.3	166.4	0	0	0	110.9	E122 K128 V129 H130 V140 L143	E122-I126 WeakPolarHBondContact O-CB 3.42Å; E122-I126 WeakPolarHBondContact O-CD1 3.41Å; E122-I126 WeakPolarHBondContact O-CG1 3.16Å; E122-I126 PolarHBondContact O-N 3.29Å; I126-K128 VanDerWaalsContact C-N 3.32Å; I126-K128 PolarHBondContact O-N 2.54Å; I126-V129 PolarHBondContact O-N 3.21Å; I126-H130 WeakPolarHBondContact O-CB 3.49Å; I126-H130 PolarHBondContact O-N 2.84Å; I126-V140 HydrophobicContact CG2-CG2 3.79Å; I126-L143 HydrophobicContact CD1-CD1 4.3Å
127	M	51.9	Low	52.2	Low	101 Å²	101	94.1 Å²	94.1	50%	0.498	50%	0.499	S	S	.	.	H	α-helix	trans	-65.7	-34.2	175	-82	-157.4	64	0	0	112.7	T123 K124 D125 H130 R131	T123-M127 VanDerWaalsContact O-CB 3.3Å; T123-M127 WeakPolarHBondContact O-CB 3.33Å; T123-M127 WeakPolarHBondContact O-CG 3.44Å; T123-M127 PolarHBondContact O-N 2.96Å; K124-M127 PolarHBondContact O-N 3.31Å; D125-M127 PolarHBondContact O-N 3.39Å; M127-H130 PolarHBondContact O-N 3.22Å; M127-R131 PolarHBondContact O-N 2.63Å
128	K	60.7	Low	52.4	Low	119 Å²	119	92.8 Å²	92.8	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-66.4	-48.1	174.1	-173.8	179.7	174.5	-170.9	0	110.8	K124 D125 I126 H130 R131 E132	K124-K128 WeakPolarHBondContact O-CB 3.42Å; K124-K128 PolarHBondContact O-N 3.28Å; D125-K128 WeakPolarHBondContact O-CB 3.49Å; D125-K128 PolarHBondContact O-N 3.3Å; I126-K128 VanDerWaalsContact C-N 3.32Å; I126-K128 PolarHBondContact O-N 2.54Å; K128-H130 VanDerWaalsContact C-N 3.27Å; K128-H130 PolarHBondContact O-N 3.27Å; K128-R131 PolarHBondContact O-N 2.62Å; K128-R131 VanDerWaalsContact O-N 3.16Å; K128-E132 WeakPolarHBondContact CE-OE1 3.28Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.4Å
129	V	51.7	Low	52.2	Low	84 Å²	84	94.1 Å²	94.1	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-59.9	-37.9	174.9	174.6	0	0	0	0	111.3	D125 I126 E132 S133	D125-V129 WeakPolarHBondContact O-CG2 3.32Å; D125-V129 PolarHBondContact O-N 2.8Å; I126-V129 PolarHBondContact O-N 3.21Å; V129-E132 PolarHBondContact O-N 3.06Å; V129-S133 WeakPolarHBondContact O-CB 3.49Å; V129-S133 PolarHBondContact O-N 2.62Å; V129-S133 PolarHBondContact O-OG 2.72Å
130	H	45.9	Very low	52.4	Low	61 Å²	61	90.6 Å²	90.6	28%	0.282	49%	0.492	S	S	.	.	H	α-helix	trans	-67.9	-40.4	176.4	-173.9	52.7	0	0	0	112.7	I126 M127 K128 E132 G134 S135 V140	I126-H130 WeakPolarHBondContact O-CB 3.49Å; I126-H130 PolarHBondContact O-N 2.84Å; M127-H130 PolarHBondContact O-N 3.22Å; K128-H130 VanDerWaalsContact C-N 3.27Å; K128-H130 PolarHBondContact O-N 3.27Å; H130-E132 VanDerWaalsContact C-N 3.31Å; H130-E132 PolarHBondContact O-N 2.81Å; H130-G134 PolarHBondContact O-N 3.2Å; H130-S135 PolarHBondContact CE1-O 3.21Å; H130-S135 PolarHBondContact ND1-O 3.46Å; H130-V140 HydrophobicContact CB-CG2 4.11Å
131	R	51.2	Low	52.3	Low	212 Å²	212	88.7 Å²	88.7	80%	0.8	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-38.2	172.7	-84.1	-174.7	-178	178.3	1.7	112.3	M127 K128	M127-R131 PolarHBondContact O-N 2.63Å; K128-R131 PolarHBondContact O-N 2.62Å; K128-R131 VanDerWaalsContact O-N 3.16Å
132	E	55.8	Low	51.7	Low	139 Å²	139	90.8 Å²	90.8	65%	0.65	49%	0.492	S	S	*	.	H	α-helix	trans	-78.9	-34	-177.5	-71.6	173.6	-176.9	0	0	112.7	K128 V129 H130	K128-E132 WeakPolarHBondContact CE-OE1 3.28Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.4Å; V129-E132 PolarHBondContact O-N 3.06Å; H130-E132 VanDerWaalsContact C-N 3.31Å; H130-E132 PolarHBondContact O-N 2.81Å
133	S	55.2	Low	51.4	Low	62 Å²	62	86 Å²	86	43%	0.434	47%	0.47	S	S	.	.	H	α-helix	trans	-96.5	-12.4	-176.9	62.7	0	0	0	0	115.1	V129 S135	V129-S133 WeakPolarHBondContact O-CB 3.49Å; V129-S133 PolarHBondContact O-N 2.62Å; V129-S133 PolarHBondContact O-OG 2.72Å; S133-S135 PolarHBondContact O-N 2.59Å; S133-S135 PolarHBondContact O-OG 2.55Å
134	G	47.7	Very low	51.4	Low	70 Å²	70	90.6 Å²	90.6	72%	0.722	49%	0.488	S	S	*	.			trans	62.3	3.2	176.2	0	0	0	0	0	115.9	H130	H130-G134 PolarHBondContact O-N 3.2Å
135	S	45.3	Very low	51.1	Low	71 Å²	71	85.7 Å²	85.7	50%	0.497	48%	0.475	S	S	.	.	S	Bend	trans	-122.6	138.9	-176.7	58.9	0	0	0	0	111	H130 S133 S137	H130-S135 PolarHBondContact CE1-O 3.21Å; H130-S135 PolarHBondContact ND1-O 3.46Å; S133-S135 PolarHBondContact O-N 2.59Å; S133-S135 PolarHBondContact O-OG 2.55Å; S135-S137 PolarHBondContact O-N 3.25Å
136	V	46.4	Very low	50.4	Low	102 Å²	102	85.2 Å²	85.2	62%	0.618	47%	0.47	S	S	*	.			trans	-76	94.4	-178.5	-177.8	0	0	0	0	108.3	V140	V136-V140 HydrophobicContact CG1-CB 4.3Å; V136-V140 HydrophobicContact CG1-CG1 4.3Å
137	S	51.1	Low	50	Low	44 Å²	44	87.8 Å²	87.8	31%	0.308	48%	0.482	S	S	.	.			trans	-72.4	158	177.8	83	0	0	0	0	111.6	S135 L139 V140 S141	S135-S137 PolarHBondContact O-N 3.25Å; S137-L139 PolarHBondContact O-N 2.74Å; S137-L139 PolarHBondContact OG-N 3.22Å; S137-V140 WeakPolarHBondContact O-CB 3.36Å; S137-V140 PolarHBondContact O-N 3.43Å; S137-S141 PolarHBondContact O-N 3.2Å
138	A	55.4	Low	49.4	Very low	85 Å²	85	91.3 Å²	91.3	70%	0.702	49%	0.49	S	S	*	.	H	α-helix	trans	-55.8	-26.1	176.9	0	0	0	0	0	113	S141 K142	A138-S141 PolarHBondContact O-N 3.25Å; A138-K142 WeakPolarHBondContact O-CB 3.34Å; A138-K142 PolarHBondContact O-N 3.16Å
139	L	47.7	Very low	48.6	Very low	108 Å²	108	90.3 Å²	90.3	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-65.8	-41.1	175.3	-72.3	163.7	0	0	0	112	S137 S141 K142 L143	S137-L139 PolarHBondContact O-N 2.74Å; S137-L139 PolarHBondContact OG-N 3.22Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 3.28Å; L139-K142 PolarHBondContact O-N 2.99Å; L139-L143 PolarHBondContact O-N 3.4Å
140	V	48.8	Very low	48.1	Very low	10 Å²	10	90.6 Å²	90.6	6%	0.061	49%	0.488	C	S	.	.	H	α-helix	trans	-64	-41.7	175.5	179.1	0	0	0	0	110.2	I126 H130 V136 S137 K142 L143 F144	I126-V140 HydrophobicContact CG2-CG2 3.79Å; H130-V140 HydrophobicContact CB-CG2 4.11Å; V136-V140 HydrophobicContact CG1-CB 4.3Å; V136-V140 HydrophobicContact CG1-CG1 4.3Å; S137-V140 WeakPolarHBondContact O-CB 3.36Å; S137-V140 PolarHBondContact O-N 3.43Å; V140-K142 VanDerWaalsContact C-N 3.34Å; V140-K142 PolarHBondContact O-N 3.08Å; V140-L143 WeakPolarHBondContact O-CB 3.06Å; V140-L143 PolarHBondContact O-N 3.36Å; V140-F144 HydrophobicContact CG1-CD2 3.74Å; V140-F144 HydrophobicContact CG1-CE2 3.64Å; V140-F144 VanDerWaalsContact O-CD2 3.27Å; V140-F144 WeakPolarHBondContact O-CD2 3.25Å; V140-F144 PolarHBondContact O-N 2.94Å
141	S	47.7	Very low	47.5	Very low	67 Å²	67	97 Å²	97	47%	0.469	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-38.8	175.4	-67.3	0	0	0	0	112.2	S137 A138 L139 F144 A145	S137-S141 PolarHBondContact O-N 3.2Å; A138-S141 PolarHBondContact O-N 3.25Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 3.28Å; S141-F144 PolarHBondContact O-N 3.49Å; S141-A145 WeakPolarHBondContact O-CB 3.44Å; S141-A145 PolarHBondContact O-N 3.43Å
142	K	48	Very low	46.7	Very low	137 Å²	137	90.5 Å²	90.5	60%	0.596	49%	0.491	S	S	*	.	H	α-helix	trans	-65.9	-39.5	175.3	-161.3	178.3	-178	-175.3	0	111.6	A138 L139 V140 A145 Q146	A138-K142 WeakPolarHBondContact O-CB 3.34Å; A138-K142 PolarHBondContact O-N 3.16Å; L139-K142 PolarHBondContact O-N 2.99Å; V140-K142 VanDerWaalsContact C-N 3.34Å; V140-K142 PolarHBondContact O-N 3.08Å; K142-A145 WeakPolarHBondContact O-CB 3.42Å; K142-A145 PolarHBondContact O-N 2.89Å; K142-Q146 WeakPolarHBondContact O-CG 3.42Å; K142-Q146 PolarHBondContact O-N 2.92Å
143	L	47.9	Very low	45.8	Very low	14 Å²	14	88.1 Å²	88.1	7%	0.073	48%	0.48	C	S	.	.	H	α-helix	trans	-63.2	-46.6	174	-169.5	88	0	0	0	111.4	T123 I126 L139 V140 A145 Q146 M147	T123-L143 HydrophobicContact CG2-CD2 3.98Å; I126-L143 HydrophobicContact CD1-CD1 4.3Å; L139-L143 PolarHBondContact O-N 3.4Å; V140-L143 WeakPolarHBondContact O-CB 3.06Å; V140-L143 PolarHBondContact O-N 3.36Å; L143-A145 VanDerWaalsContact C-N 3.3Å; L143-A145 PolarHBondContact O-N 2.92Å; L143-Q146 PolarHBondContact O-N 3.24Å; L143-M147 WeakPolarHBondContact O-CG 3.33Å; L143-M147 PolarHBondContact O-N 3.2Å
144	F	48.4	Very low	44.9	Very low	127 Å²	127	87.9 Å²	87.9	56%	0.557	48%	0.479	S	S	*	.	H	α-helix	trans	-63.5	-36.6	174.5	-84.4	-68.7	0	0	0	112.1	V140 S141 M147 R148	V140-F144 HydrophobicContact CG1-CD2 3.74Å; V140-F144 HydrophobicContact CG1-CE2 3.64Å; V140-F144 VanDerWaalsContact O-CD2 3.27Å; V140-F144 WeakPolarHBondContact O-CD2 3.25Å; V140-F144 PolarHBondContact O-N 2.94Å; S141-F144 PolarHBondContact O-N 3.49Å; F144-M147 HydrophobicContact CD1-CE 3.54Å; F144-M147 HydrophobicContact CE1-CE 3.65Å; F144-M147 HydrophobicContact CG-CE 4.28Å; F144-M147 HydrophobicContact CZ-CE 4.46Å; F144-M147 PolarHBondContact O-N 3.34Å; F144-R148 WeakPolarHBondContact O-CB 3.14Å; F144-R148 PolarHBondContact O-N 3.3Å
145	A	50	Low	44.2	Very low	47 Å²	47	87.7 Å²	87.7	39%	0.388	47%	0.466	S	S	.	.	H	α-helix	trans	-65.4	-39.8	173.6	0	0	0	0	0	111.9	S141 K142 L143 R148 N149	S141-A145 WeakPolarHBondContact O-CB 3.44Å; S141-A145 PolarHBondContact O-N 3.43Å; K142-A145 WeakPolarHBondContact O-CB 3.42Å; K142-A145 PolarHBondContact O-N 2.89Å; L143-A145 VanDerWaalsContact C-N 3.3Å; L143-A145 PolarHBondContact O-N 2.92Å; A145-R148 PolarHBondContact O-N 3.21Å; A145-N149 WeakPolarHBondContact O-CB 3.33Å; A145-N149 PolarHBondContact O-N 3.14Å
146	Q	47	Very low	43.7	Very low	95 Å²	95	87.1 Å²	87.1	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-65.4	-45.9	174.2	-76.8	173.6	-29.9	0	0	111.8	K142 L143 R148 N149 L150	K142-Q146 WeakPolarHBondContact O-CG 3.42Å; K142-Q146 PolarHBondContact O-N 2.92Å; L143-Q146 PolarHBondContact O-N 3.24Å; Q146-R148 VanDerWaalsContact C-N 3.32Å; Q146-R148 PolarHBondContact O-N 2.95Å; Q146-N149 PolarHBondContact O-N 3.08Å; Q146-L150 PolarHBondContact O-N 3.22Å
147	M	45.6	Very low	43.4	Very low	88 Å²	88	85 Å²	85	43%	0.433	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-37.7	174.5	-71	-160.8	-64.1	0	0	112.3	L143 F144 L150 R151	L143-M147 WeakPolarHBondContact O-CG 3.33Å; L143-M147 PolarHBondContact O-N 3.2Å; F144-M147 HydrophobicContact CD1-CE 3.54Å; F144-M147 HydrophobicContact CE1-CE 3.65Å; F144-M147 HydrophobicContact CG-CE 4.28Å; F144-M147 HydrophobicContact CZ-CE 4.46Å; F144-M147 PolarHBondContact O-N 3.34Å; M147-L150 PolarHBondContact O-N 3.47Å; M147-R151 WeakPolarHBondContact O-CB 3.5Å; M147-R151 PolarHBondContact O-N 3.19Å
148	R	40.7	Very low	42.7	Very low	176 Å²	176	89.9 Å²	89.9	66%	0.664	47%	0.466	S	S	*	.	H	α-helix	trans	-68.6	-37.4	175	-168.2	176.2	-170.7	163.7	1.2	111.2	F144 A145 Q146 R151 N152	F144-R148 WeakPolarHBondContact O-CB 3.14Å; F144-R148 PolarHBondContact O-N 3.3Å; A145-R148 PolarHBondContact O-N 3.21Å; Q146-R148 VanDerWaalsContact C-N 3.32Å; Q146-R148 PolarHBondContact O-N 2.95Å; R148-R151 PolarHBondContact O-N 3.06Å; R148-N152 VanDerWaalsContact O-CB 3.25Å; R148-N152 WeakPolarHBondContact O-CB 3.5Å; R148-N152 PolarHBondContact O-N 2.73Å; R148-N152 PolarHBondContact O-ND2 2.72Å; R148-N152 PolarHBondContact O-OD1 2.61Å
149	N	42.7	Very low	41.9	Very low	97 Å²	97	92.8 Å²	92.8	52%	0.519	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-41.1	172.8	-82.5	-12.6	0	0	0	111.6	A145 Q146 R151 N152 Q153	A145-N149 WeakPolarHBondContact O-CB 3.33Å; A145-N149 PolarHBondContact O-N 3.14Å; Q146-N149 PolarHBondContact O-N 3.08Å; N149-R151 VanDerWaalsContact C-N 3.33Å; N149-R151 PolarHBondContact O-N 3.48Å; N149-N152 PolarHBondContact O-N 2.82Å; N149-Q153 VanDerWaalsContact O-CB 3.3Å; N149-Q153 WeakPolarHBondContact O-CB 3.18Å; N149-Q153 VanDerWaalsContact O-CG 3.3Å; N149-Q153 WeakPolarHBondContact O-CG 2.94Å; N149-Q153 PolarHBondContact O-N 2.65Å
150	L	40.8	Very low	41.6	Very low	91 Å²	91	90 Å²	90	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-61.1	-41.2	171.7	-80.2	161.1	0	0	0	111.8	Q146 M147 S154	Q146-L150 PolarHBondContact O-N 3.22Å; M147-L150 PolarHBondContact O-N 3.47Å; L150-S154 VanDerWaalsContact O-CB 3.31Å; L150-S154 WeakPolarHBondContact O-CB 2.83Å; L150-S154 PolarHBondContact O-N 3.08Å
151	R	34	Very low	40.9	Very low	194 Å²	194	94.6 Å²	94.6	73%	0.732	48%	0.475	S	S	*	.	H	α-helix	trans	-67.8	-39	175.6	-169.8	-179.1	-179.6	-171.8	-0.2	112.3	M147 R148 N149 S154 S155	M147-R151 WeakPolarHBondContact O-CB 3.5Å; M147-R151 PolarHBondContact O-N 3.19Å; R148-R151 PolarHBondContact O-N 3.06Å; N149-R151 VanDerWaalsContact C-N 3.33Å; N149-R151 PolarHBondContact O-N 3.48Å; R151-S154 WeakPolarHBondContact O-CB 3.25Å; R151-S154 PolarHBondContact O-N 2.65Å; R151-S155 PolarHBondContact O-N 3.3Å
152	N	34.8	Very low	40.4	Very low	76 Å²	76	93.9 Å²	93.9	41%	0.406	47%	0.473	S	S	.	.	H	α-helix	trans	-72.2	-39.6	179.1	-73	-12	0	0	0	111.1	R148 N149 S154 S155 A156	R148-N152 VanDerWaalsContact O-CB 3.25Å; R148-N152 WeakPolarHBondContact O-CB 3.5Å; R148-N152 PolarHBondContact O-N 2.73Å; R148-N152 PolarHBondContact O-ND2 2.72Å; R148-N152 PolarHBondContact O-OD1 2.61Å; N149-N152 PolarHBondContact O-N 2.82Å; N152-S154 VanDerWaalsContact C-N 3.35Å; N152-S155 PolarHBondContact O-N 3.23Å; N152-S155 VanDerWaalsContact O-N 3.08Å; N152-S155 PolarHBondContact O-OG 3.5Å; N152-A156 PolarHBondContact O-N 3.12Å
153	Q	35.9	Very low	39.9	Very low	89 Å²	89	91.9 Å²	91.9	42%	0.416	47%	0.469	S	S	.	.	H	α-helix	trans	-60.1	-44.7	169.8	-77.6	176.4	-13.5	0	0	110.4	N149 S155 A156 D157	N149-Q153 VanDerWaalsContact O-CB 3.3Å; N149-Q153 WeakPolarHBondContact O-CB 3.18Å; N149-Q153 VanDerWaalsContact O-CG 3.3Å; N149-Q153 WeakPolarHBondContact O-CG 2.94Å; N149-Q153 PolarHBondContact O-N 2.65Å; Q153-S155 VanDerWaalsContact C-N 3.26Å; Q153-S155 PolarHBondContact O-N 2.78Å; Q153-A156 PolarHBondContact O-N 3.29Å; Q153-D157 VanDerWaalsContact O-CB 3.25Å; Q153-D157 WeakPolarHBondContact O-CB 3.4Å; Q153-D157 PolarHBondContact O-N 3Å
154	S	37.5	Very low	39.4	Very low	58 Å²	58	94.6 Å²	94.6	41%	0.406	49%	0.486	S	S	.	.	H	α-helix	trans	-57.8	-34.5	171	167.9	0	0	0	0	113.3	L150 R151 N152 K158	L150-S154 VanDerWaalsContact O-CB 3.31Å; L150-S154 WeakPolarHBondContact O-CB 2.83Å; L150-S154 PolarHBondContact O-N 3.08Å; R151-S154 WeakPolarHBondContact O-CB 3.25Å; R151-S154 PolarHBondContact O-N 2.65Å; N152-S154 VanDerWaalsContact C-N 3.35Å; S154-K158 WeakPolarHBondContact O-CG 3.3Å; S154-K158 PolarHBondContact O-N 2.9Å
155	S	32.9	Very low	38.7	Very low	66 Å²	66	92.5 Å²	92.5	46%	0.462	48%	0.483	S	S	.	.	H	α-helix	trans	-78	-38.7	177.7	90.3	0	0	0	0	113.3	R151 N152 Q153 D157 K158 K159	R151-S155 PolarHBondContact O-N 3.3Å; N152-S155 PolarHBondContact O-N 3.23Å; N152-S155 VanDerWaalsContact O-N 3.08Å; N152-S155 PolarHBondContact O-OG 3.5Å; Q153-S155 VanDerWaalsContact C-N 3.26Å; Q153-S155 PolarHBondContact O-N 2.78Å; S155-D157 VanDerWaalsContact C-N 3.31Å; S155-K158 WeakPolarHBondContact O-CB 3.35Å; S155-K158 PolarHBondContact O-N 3.04Å; S155-K158 VanDerWaalsContact O-N 3.15Å; S155-K159 PolarHBondContact O-N 3.37Å
156	A	35.4	Very low	38	Very low	58 Å²	58	93 Å²	93	48%	0.479	48%	0.484	S	S	.	.	H	α-helix	trans	-66.7	-38.4	173.2	0	0	0	0	0	109.8	N152 Q153 K158 K159 A160	N152-A156 PolarHBondContact O-N 3.12Å; Q153-A156 PolarHBondContact O-N 3.29Å; A156-K158 VanDerWaalsContact C-N 3.32Å; A156-K158 PolarHBondContact O-N 2.95Å; A156-K159 CarbonylContact O-C 3.58Å; A156-K159 PolarHBondContact O-N 2.85Å; A156-K159 VanDerWaalsContact O-N 3.12Å; A156-A160 WeakPolarHBondContact O-CB 2.97Å; A156-A160 PolarHBondContact O-N 2.9Å
157	D	38.6	Very low	37.2	Very low	57 Å²	57	91.6 Å²	91.6	31%	0.305	49%	0.485	S	S	.	.	H	α-helix	trans	-65.3	-32.4	170	-80.7	-18.2	0	0	0	112.1	Q153 S155 K159 K161	Q153-D157 VanDerWaalsContact O-CB 3.25Å; Q153-D157 WeakPolarHBondContact O-CB 3.4Å; Q153-D157 PolarHBondContact O-N 3Å; S155-D157 VanDerWaalsContact C-N 3.31Å; D157-K159 VanDerWaalsContact C-N 3.33Å; D157-K161 WeakPolarHBondContact O-CA 3.12Å; D157-K161 WeakPolarHBondContact O-CB 3.43Å; D157-K161 WeakPolarHBondContact O-CD 3.11Å; D157-K161 WeakPolarHBondContact O-CG 3.34Å; D157-K161 PolarHBondContact O-N 3.44Å
158	K	37	Very low	36.6	Very low	147 Å²	147	95.4 Å²	95.4	64%	0.639	50%	0.495	S	S	*	.	H	α-helix	trans	-67.5	-35.7	170.8	-83.8	179.9	-179.2	-174.6	0	111.8	S154 S155 A156 A162	S154-K158 WeakPolarHBondContact O-CG 3.3Å; S154-K158 PolarHBondContact O-N 2.9Å; S155-K158 WeakPolarHBondContact O-CB 3.35Å; S155-K158 PolarHBondContact O-N 3.04Å; S155-K158 VanDerWaalsContact O-N 3.15Å; A156-K158 VanDerWaalsContact C-N 3.32Å; A156-K158 PolarHBondContact O-N 2.95Å; K158-A162 VanDerWaalsContact O-CB 3.31Å; K158-A162 WeakPolarHBondContact O-CB 3.34Å; K158-A162 PolarHBondContact O-N 3.08Å
159	K	38.9	Very low	36	Very low	146 Å²	146	95.6 Å²	95.6	64%	0.635	50%	0.495	S	S	*	.	H	α-helix	trans	-76.6	-42.5	177.9	-152.7	179.5	-176.5	-175.3	0	111.6	S155 A156 D157 K161 A162 D163	S155-K159 PolarHBondContact O-N 3.37Å; A156-K159 CarbonylContact O-C 3.58Å; A156-K159 PolarHBondContact O-N 2.85Å; A156-K159 VanDerWaalsContact O-N 3.12Å; D157-K159 VanDerWaalsContact C-N 3.33Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 2.99Å; K159-A162 CarbonylContact O-C 3.5Å; K159-A162 WeakPolarHBondContact O-CA 3.33Å; K159-A162 WeakPolarHBondContact O-CB 3.16Å; K159-A162 PolarHBondContact O-N 3.25Å; K159-D163 WeakPolarHBondContact O-CB 3.35Å; K159-D163 PolarHBondContact O-N 3.42Å
160	A	40.1	Very low	35.4	Very low	50 Å²	50	97.8 Å²	97.8	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-36.6	169.7	0	0	0	0	0	111.3	A156 D163 V164	A156-A160 WeakPolarHBondContact O-CB 2.97Å; A156-A160 PolarHBondContact O-N 2.9Å; A160-D163 PolarHBondContact O-N 3.41Å; A160-V164 WeakPolarHBondContact O-CB 3.36Å; A160-V164 WeakPolarHBondContact O-CG2 3.37Å; A160-V164 PolarHBondContact O-N 2.89Å
161	K	34.2	Very low	35	Very low	106 Å²	106	95.2 Å²	95.2	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-40.2	167.2	-80.3	169	-178.8	173.4	0	111	D157 K159 D163 V165	D157-K161 WeakPolarHBondContact O-CA 3.12Å; D157-K161 WeakPolarHBondContact O-CB 3.43Å; D157-K161 WeakPolarHBondContact O-CD 3.11Å; D157-K161 WeakPolarHBondContact O-CG 3.34Å; D157-K161 PolarHBondContact O-N 3.44Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 2.99Å; K161-D163 VanDerWaalsContact C-N 3.31Å; K161-D163 PolarHBondContact O-N 2.86Å; K161-V165 VanDerWaalsContact O-CA 3.31Å; K161-V165 WeakPolarHBondContact O-CA 3.22Å; K161-V165 WeakPolarHBondContact O-CB 3.16Å; K161-V165 WeakPolarHBondContact O-CG2 3.42Å; K161-V165 PolarHBondContact O-N 3.23Å
162	A	37.7	Very low	34.9	Very low	53 Å²	53	89.7 Å²	89.7	44%	0.438	48%	0.483	S	S	.	.	H	α-helix	trans	-68.2	-32.6	176.5	0	0	0	0	0	111.9	K158 K159 S166	K158-A162 VanDerWaalsContact O-CB 3.31Å; K158-A162 WeakPolarHBondContact O-CB 3.34Å; K158-A162 PolarHBondContact O-N 3.08Å; K159-A162 CarbonylContact O-C 3.5Å; K159-A162 WeakPolarHBondContact O-CA 3.33Å; K159-A162 WeakPolarHBondContact O-CB 3.16Å; K159-A162 PolarHBondContact O-N 3.25Å; A162-S166 WeakPolarHBondContact O-CA 3.32Å; A162-S166 WeakPolarHBondContact O-CB 3.36Å; A162-S166 PolarHBondContact O-N 2.81Å; A162-S166 PolarHBondContact O-OG 3.43Å; A162-S166 VanDerWaalsContact O-OG 3.12Å
163	D	38	Very low	34.6	Very low	94 Å²	94	91.9 Å²	91.9	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-81.4	-36.2	178.3	-68.9	-22.3	0	0	0	111.9	K159 A160 K161 S166 S167	K159-D163 WeakPolarHBondContact O-CB 3.35Å; K159-D163 PolarHBondContact O-N 3.42Å; A160-D163 PolarHBondContact O-N 3.41Å; K161-D163 VanDerWaalsContact C-N 3.31Å; K161-D163 PolarHBondContact O-N 2.86Å; D163-S166 WeakPolarHBondContact CA-OG 3.42Å; D163-S166 PolarHBondContact O-N 2.87Å; D163-S166 PolarHBondContact O-OG 2.88Å; D163-S167 WeakPolarHBondContact O-CB 3.5Å; D163-S167 PolarHBondContact O-N 3.21Å; D163-S167 PolarHBondContact O-OG 3.44Å
164	V	36.5	Very low	34.4	Very low	71 Å²	71	92.9 Å²	92.9	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-72.5	-39.1	170.9	173.2	0	0	0	0	110.2	A160 S167 R168	A160-V164 WeakPolarHBondContact O-CB 3.36Å; A160-V164 WeakPolarHBondContact O-CG2 3.37Å; A160-V164 PolarHBondContact O-N 2.89Å; V164-S167 WeakPolarHBondContact CA-OG 3.29Å; V164-S167 PolarHBondContact O-OG 3.3Å; V164-R168 HydrophobicContact CG1-CG 4.31Å; V164-R168 WeakPolarHBondContact O-CA 3.35Å; V164-R168 WeakPolarHBondContact O-CB 3.44Å; V164-R168 VanDerWaalsContact O-CG 3.24Å; V164-R168 WeakPolarHBondContact O-CG 3.18Å; V164-R168 PolarHBondContact O-N 2.9Å
165	V	34.6	Very low	34.3	Very low	83 Å²	83	94.6 Å²	94.6	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-70.5	-34.6	172.8	173.3	0	0	0	0	109.8	K161 R168 W169	K161-V165 VanDerWaalsContact O-CA 3.31Å; K161-V165 WeakPolarHBondContact O-CA 3.22Å; K161-V165 WeakPolarHBondContact O-CB 3.16Å; K161-V165 WeakPolarHBondContact O-CG2 3.42Å; K161-V165 PolarHBondContact O-N 3.23Å; V165-R168 CarbonylContact O-C 3.6Å; V165-W169 VanDerWaalsContact O-CA 3.27Å; V165-W169 WeakPolarHBondContact O-CA 3.29Å; V165-W169 WeakPolarHBondContact O-CB 3.16Å; V165-W169 PolarHBondContact O-N 3.25Å
166	S	34.4	Very low	34.2	Very low	57 Å²	57	95.3 Å²	95.3	40%	0.399	50%	0.501	S	S	.	.	H	α-helix	trans	-77.2	-38.7	177.4	74.9	0	0	0	0	112.6	A162 D163 W169 Q170	A162-S166 WeakPolarHBondContact O-CA 3.32Å; A162-S166 WeakPolarHBondContact O-CB 3.36Å; A162-S166 PolarHBondContact O-N 2.81Å; A162-S166 PolarHBondContact O-OG 3.43Å; A162-S166 VanDerWaalsContact O-OG 3.12Å; D163-S166 WeakPolarHBondContact CA-OG 3.42Å; D163-S166 PolarHBondContact O-N 2.87Å; D163-S166 PolarHBondContact O-OG 2.88Å; S166-W169 CarbonylContact O-C 3.51Å; S166-W169 PolarHBondContact O-N 3.17Å; S166-Q170 PolarHBondContact O-N 3.42Å
167	S	30.4	Very low	34	Very low	66 Å²	66	98.5 Å²	98.5	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-71	-39	173.2	59.3	0	0	0	0	111.6	D163 V164 W169 Q170 G171	D163-S167 WeakPolarHBondContact O-CB 3.5Å; D163-S167 PolarHBondContact O-N 3.21Å; D163-S167 PolarHBondContact O-OG 3.44Å; V164-S167 WeakPolarHBondContact CA-OG 3.29Å; V164-S167 PolarHBondContact O-OG 3.3Å; S167-W169 VanDerWaalsContact C-N 3.33Å; S167-Q170 PolarHBondContact O-N 3.36Å; S167-G171 PolarHBondContact O-N 3.22Å
168	R	32.7	Very low	33.7	Very low	169 Å²	169	102.6 Å²	102.6	64%	0.638	52%	0.519	S	S	*	.	H	α-helix	trans	-73	-22.8	166.7	-70.6	-175.8	175.6	178	-0	112.4	V164 V165 Q170 G171 D172	V164-R168 HydrophobicContact CG1-CG 4.31Å; V164-R168 WeakPolarHBondContact O-CA 3.35Å; V164-R168 WeakPolarHBondContact O-CB 3.44Å; V164-R168 VanDerWaalsContact O-CG 3.24Å; V164-R168 WeakPolarHBondContact O-CG 3.18Å; V164-R168 PolarHBondContact O-N 2.9Å; V165-R168 CarbonylContact O-C 3.6Å; R168-Q170 VanDerWaalsContact C-N 3.31Å; R168-G171 CarbonylContact O-C 3.47Å; R168-G171 PolarHBondContact O-N 2.91Å; R168-D172 WeakPolarHBondContact O-CA 3.47Å; R168-D172 WeakPolarHBondContact O-CB 3.41Å; R168-D172 PolarHBondContact O-N 3.43Å
169	W	29.7	Very low	33.5	Very low	180 Å²	180	101 Å²	101	68%	0.682	51%	0.513	S	S	*	.	H	α-helix	trans	-76.3	-22.2	169.9	-122.6	1	0	0	0	110.9	V165 S166 S167 D172 H173	V165-W169 VanDerWaalsContact O-CA 3.27Å; V165-W169 WeakPolarHBondContact O-CA 3.29Å; V165-W169 WeakPolarHBondContact O-CB 3.16Å; V165-W169 PolarHBondContact O-N 3.25Å; S166-W169 CarbonylContact O-C 3.51Å; S166-W169 PolarHBondContact O-N 3.17Å; S167-W169 VanDerWaalsContact C-N 3.33Å; W169-D172 CarbonylContact O-C 3.56Å; W169-H173 WeakPolarHBondContact O-CA 3.41Å; W169-H173 WeakPolarHBondContact O-CB 3.05Å; W169-H173 PolarHBondContact O-N 3.46Å
170	Q	28.6	Very low	33	Very low	143 Å²	143	99.5 Å²	99.5	67%	0.668	51%	0.507	S	S	*	.	H	α-helix	trans	-77.1	-36.1	166	-80.3	178.7	-16.5	0	0	111.2	S166 S167 R168 H173 N174	S166-Q170 PolarHBondContact O-N 3.42Å; S167-Q170 PolarHBondContact O-N 3.36Å; R168-Q170 VanDerWaalsContact C-N 3.31Å; Q170-H173 PolarHBondContact O-N 3.21Å; Q170-N174 PolarHBondContact O-N 3.41Å
171	G	33.5	Very low	32.6	Very low	36 Å²	36	102.4 Å²	102.4	37%	0.371	51%	0.512	S	S	.	.	H	α-helix	trans	-61.1	-46.3	168.5	0	0	0	0	0	112.6	S167 R168 N174 L175	S167-G171 PolarHBondContact O-N 3.22Å; R168-G171 CarbonylContact O-C 3.47Å; R168-G171 PolarHBondContact O-N 2.91Å; G171-N174 CarbonylContact O-C 3.6Å; G171-N174 WeakPolarHBondContact O-CA 3.21Å; G171-N174 WeakPolarHBondContact O-CB 3.45Å; G171-N174 PolarHBondContact O-N 3.36Å; G171-L175 WeakPolarHBondContact O-CB 3.4Å; G171-L175 PolarHBondContact O-N 3.49Å
172	D	31.5	Very low	32.5	Very low	79 Å²	79	100.5 Å²	100.5	42%	0.422	51%	0.511	S	S	.	.	H	α-helix	trans	-78.4	-16.9	173.5	-77.3	-21.7	0	0	0	111.2	R168 W169 L175 L176	R168-D172 WeakPolarHBondContact O-CA 3.47Å; R168-D172 WeakPolarHBondContact O-CB 3.41Å; R168-D172 PolarHBondContact O-N 3.43Å; W169-D172 CarbonylContact O-C 3.56Å; D172-L175 CarbonylContact O-C 3.48Å; D172-L175 PolarHBondContact O-N 2.9Å; D172-L176 VanDerWaalsContact O-CA 3.25Å; D172-L176 WeakPolarHBondContact O-CA 3.46Å; D172-L176 WeakPolarHBondContact O-CB 3.04Å; D172-L176 PolarHBondContact O-N 3.36Å
173	H	28.8	Very low	32.1	Very low	121 Å²	121	104.8 Å²	104.8	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-73.2	-29.3	166.7	-137.2	-42.9	0	0	0	109.6	W169 Q170 K177	W169-H173 WeakPolarHBondContact O-CA 3.41Å; W169-H173 WeakPolarHBondContact O-CB 3.05Å; W169-H173 PolarHBondContact O-N 3.46Å; Q170-H173 PolarHBondContact O-N 3.21Å; H173-K177 WeakPolarHBondContact O-CA 3.27Å; H173-K177 WeakPolarHBondContact O-CB 3.24Å; H173-K177 PolarHBondContact O-N 2.88Å
174	N	32.6	Very low	31.5	Very low	110 Å²	110	104.2 Å²	104.2	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-77.1	-36.3	169.2	-76.4	-28.1	0	0	0	111.8	Q170 G171 K177 K178	Q170-N174 PolarHBondContact O-N 3.41Å; G171-N174 CarbonylContact O-C 3.6Å; G171-N174 WeakPolarHBondContact O-CA 3.21Å; G171-N174 WeakPolarHBondContact O-CB 3.45Å; G171-N174 PolarHBondContact O-N 3.36Å; N174-K177 CarbonylContact O-C 3.53Å; N174-K177 PolarHBondContact O-N 2.93Å; N174-K178 VanDerWaalsContact O-CB 3.29Å; N174-K178 WeakPolarHBondContact O-CB 3.03Å; N174-K178 PolarHBondContact O-N 3.48Å
175	L	33.6	Very low	31.1	Very low	94 Å²	94	107.5 Å²	107.5	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-77.6	-26.9	176.8	-123.9	152.9	0	0	0	112.6	G171 D172 K178 E179	G171-L175 WeakPolarHBondContact O-CB 3.4Å; G171-L175 PolarHBondContact O-N 3.49Å; D172-L175 CarbonylContact O-C 3.48Å; D172-L175 PolarHBondContact O-N 2.9Å; L175-K178 CarbonylContact O-C 3.55Å; L175-K178 PolarHBondContact O-N 2.85Å; L175-E179 WeakPolarHBondContact O-CA 3.28Å; L175-E179 WeakPolarHBondContact O-CB 3.41Å; L175-E179 WeakPolarHBondContact O-CG 3.32Å; L175-E179 PolarHBondContact O-N 3.4Å
176	L	31.9	Very low	30.9	Very low	81 Å²	81	110.7 Å²	110.7	42%	0.424	53%	0.534	S	S	.	.	H	α-helix	trans	-92.6	-14.6	171	-154.6	140.5	0	0	0	110.6	D172 K180	D172-L176 VanDerWaalsContact O-CA 3.25Å; D172-L176 WeakPolarHBondContact O-CA 3.46Å; D172-L176 WeakPolarHBondContact O-CB 3.04Å; D172-L176 PolarHBondContact O-N 3.36Å; L176-K180 HydrophobicContact CD2-CD 4.35Å; L176-K180 HydrophobicContact CD2-CG 4.3Å; L176-K180 VanDerWaalsContact O-CA 3.3Å; L176-K180 WeakPolarHBondContact O-CA 3.34Å; L176-K180 WeakPolarHBondContact O-CB 3.37Å; L176-K180 WeakPolarHBondContact O-CG 3.33Å; L176-K180 PolarHBondContact O-N 3.01Å
177	K	30.9	Very low	30.5	Very low	126 Å²	126	112.6 Å²	112.6	55%	0.548	54%	0.535	S	S	.	.	H	α-helix	trans	-74.8	-36.1	154.6	-111.9	178.5	171	173.8	0	110.3	H173 N174 K180 Q181	H173-K177 WeakPolarHBondContact O-CA 3.27Å; H173-K177 WeakPolarHBondContact O-CB 3.24Å; H173-K177 PolarHBondContact O-N 2.88Å; N174-K177 CarbonylContact O-C 3.53Å; N174-K177 PolarHBondContact O-N 2.93Å; K177-K180 CarbonylContact O-C 3.5Å; K177-Q181 WeakPolarHBondContact O-CA 3.49Å; K177-Q181 WeakPolarHBondContact O-CB 3.37Å; K177-Q181 WeakPolarHBondContact O-CG 3.46Å; K177-Q181 PolarHBondContact O-N 3.47Å
178	K	32.1	Very low	30.3	Very low	142 Å²	142	117.3 Å²	117.3	62%	0.617	55%	0.548	S	S	*	.	H	α-helix	trans	-75.9	-38.1	176.9	-123.4	-179.7	178.5	-178.7	0	111.2	N174 L175 Q181 C182	N174-K178 VanDerWaalsContact O-CB 3.29Å; N174-K178 WeakPolarHBondContact O-CB 3.03Å; N174-K178 PolarHBondContact O-N 3.48Å; L175-K178 CarbonylContact O-C 3.55Å; L175-K178 PolarHBondContact O-N 2.85Å; K178-Q181 CarbonylContact O-C 3.56Å; K178-Q181 PolarHBondContact O-N 3.4Å; K178-C182 WeakPolarHBondContact O-CB 3.36Å; K178-C182 PolarHBondContact O-N 3.39Å; K178-C182 PolarHBondContact O-SG 3.49Å
179	E	32.3	Very low	30.2	Very low	113 Å²	113	110.9 Å²	110.9	53%	0.528	53%	0.528	S	S	.	.	H	α-helix	trans	-76.2	-44	171	-82.4	-173.8	158.6	0	0	108.9	L175 Q181 C182 Y183	L175-E179 WeakPolarHBondContact O-CA 3.28Å; L175-E179 WeakPolarHBondContact O-CB 3.41Å; L175-E179 WeakPolarHBondContact O-CG 3.32Å; L175-E179 PolarHBondContact O-N 3.4Å; E179-Q181 PolarHBondContact O-N 2.65Å; E179-Q181 VanDerWaalsContact O-N 3.15Å; E179-C182 CarbonylContact O-C 3.58Å; E179-C182 PolarHBondContact O-N 2.69Å; E179-Y183 WeakPolarHBondContact O-CA 3.48Å; E179-Y183 WeakPolarHBondContact O-CB 3.44Å; E179-Y183 PolarHBondContact O-N 2.87Å
180	K	29.7	Very low	30.2	Very low	116 Å²	116	105.3 Å²	105.3	50%	0.504	52%	0.516	S	S	.	.	H	α-helix	trans	-59.2	-27.4	164.6	-89.2	-177.6	163.2	171.6	0	111.7	L176 K177 N184	L176-K180 HydrophobicContact CD2-CD 4.35Å; L176-K180 HydrophobicContact CD2-CG 4.3Å; L176-K180 VanDerWaalsContact O-CA 3.3Å; L176-K180 WeakPolarHBondContact O-CA 3.34Å; L176-K180 WeakPolarHBondContact O-CB 3.37Å; L176-K180 WeakPolarHBondContact O-CG 3.33Å; L176-K180 PolarHBondContact O-N 3.01Å; K177-K180 CarbonylContact O-C 3.5Å; K180-N184 VanDerWaalsContact O-CA 3.24Å; K180-N184 WeakPolarHBondContact O-CA 3.44Å; K180-N184 WeakPolarHBondContact O-CB 3.17Å; K180-N184 PolarHBondContact O-N 3.37Å; K180-N184 PolarHBondContact O-ND2 2.75Å
181	Q	31.1	Very low	29.9	Very low	110 Å²	110	101.5 Å²	101.5	51%	0.514	52%	0.515	S	S	.	.	H	α-helix	trans	-77	-37.6	173.4	-83.4	171.4	-11.1	0	0	110.9	K177 K178 E179 Q185	K177-Q181 WeakPolarHBondContact O-CA 3.49Å; K177-Q181 WeakPolarHBondContact O-CB 3.37Å; K177-Q181 WeakPolarHBondContact O-CG 3.46Å; K177-Q181 PolarHBondContact O-N 3.47Å; K178-Q181 CarbonylContact O-C 3.56Å; K178-Q181 PolarHBondContact O-N 3.4Å; E179-Q181 PolarHBondContact O-N 2.65Å; E179-Q181 VanDerWaalsContact O-N 3.15Å; Q181-Q185 WeakPolarHBondContact O-CA 3.46Å; Q181-Q185 WeakPolarHBondContact O-CB 3.31Å; Q181-Q185 WeakPolarHBondContact O-CG 3.35Å; Q181-Q185 PolarHBondContact O-N 2.9Å
182	C	31.5	Very low	29.6	Very low	66 Å²	66	107.9 Å²	107.9	45%	0.446	53%	0.528	S	S	.	.	H	α-helix	trans	-73.3	-53	176	-73.2	0	0	0	0	110.5	K178 E179 Q185 E186	K178-C182 WeakPolarHBondContact O-CB 3.36Å; K178-C182 PolarHBondContact O-N 3.39Å; K178-C182 PolarHBondContact O-SG 3.49Å; E179-C182 CarbonylContact O-C 3.58Å; E179-C182 PolarHBondContact O-N 2.69Å; C182-Q185 CarbonylContact O-C 3.43Å; C182-Q185 PolarHBondContact O-N 2.7Å; C182-E186 WeakPolarHBondContact O-CB 3.34Å; C182-E186 WeakPolarHBondContact O-CG 3.34Å; C182-E186 PolarHBondContact O-N 2.77Å
183	Y	29	Very low	29.5	Very low	144 Å²	144	110.7 Å²	110.7	57%	0.565	54%	0.542	S	S	*	.	H	α-helix	trans	-59.5	-40.4	169.5	-118.8	-88.7	0	0	0	112.7	E179 Q185 F187	E179-Y183 WeakPolarHBondContact O-CA 3.48Å; E179-Y183 WeakPolarHBondContact O-CB 3.44Å; E179-Y183 PolarHBondContact O-N 2.87Å; Y183-Q185 VanDerWaalsContact C-N 3.34Å; Y183-F187 AromaticContact CD1-CD2 3.32Å; Y183-F187 HydrophobicContact CD1-CD2 3.32Å; Y183-F187 AromaticContact CD1-CE2 3.59Å; Y183-F187 HydrophobicContact CD1-CE2 3.59Å; Y183-F187 HydrophobicContact CD1-CG 4.23Å; Y183-F187 AromaticContact CE1-CD2 3.47Å; Y183-F187 HydrophobicContact CE1-CD2 3.47Å; Y183-F187 VanDerWaalsContact CE1-CD2 3.47Å; Y183-F187 AromaticContact CE1-CE2 3.18Å; Y183-F187 HydrophobicContact CE1-CE2 3.18Å; Y183-F187 HydrophobicContact CE1-CG 4.44Å; Y183-F187 AromaticContact CE1-CZ 3.99Å; Y183-F187 HydrophobicContact CE1-CZ 3.99Å; Y183-F187 HydrophobicContact CG-CD2 4.21Å; Y183-F187 AromaticContact CZ-CE2 3.85Å; Y183-F187 WeakPolarHBondContact O-CA 3.45Å; Y183-F187 WeakPolarHBondContact O-CB 3.46Å; Y183-F187 PolarHBondContact O-N 3.04Å
184	N	25.9	Very low	29.3	Very low	81 Å²	81	113.9 Å²	113.9	43%	0.433	56%	0.557	S	S	.	*	H	α-helix	trans	-78.8	-13.3	171.5	-64	-37.5	0	0	0	112.8	K180 K188	K180-N184 VanDerWaalsContact O-CA 3.24Å; K180-N184 WeakPolarHBondContact O-CA 3.44Å; K180-N184 WeakPolarHBondContact O-CB 3.17Å; K180-N184 PolarHBondContact O-N 3.37Å; K180-N184 PolarHBondContact O-ND2 2.75Å; N184-K188 WeakPolarHBondContact O-CA 3.35Å; N184-K188 WeakPolarHBondContact O-CB 3.36Å; N184-K188 WeakPolarHBondContact O-CD 3.46Å; N184-K188 WeakPolarHBondContact O-CG 3.37Å; N184-K188 PolarHBondContact O-N 2.72Å
185	Q	29	Very low	29	Very low	141 Å²	141	112.5 Å²	112.5	66%	0.659	56%	0.556	S	S	*	*	H	α-helix	trans	-84.7	-35.7	169.2	-79	172.8	5.5	0	0	110.7	Q181 C182 Y183	Q181-Q185 WeakPolarHBondContact O-CA 3.46Å; Q181-Q185 WeakPolarHBondContact O-CB 3.31Å; Q181-Q185 WeakPolarHBondContact O-CG 3.35Å; Q181-Q185 PolarHBondContact O-N 2.9Å; C182-Q185 CarbonylContact O-C 3.43Å; C182-Q185 PolarHBondContact O-N 2.7Å; Y183-Q185 VanDerWaalsContact C-N 3.34Å
186	E	29.8	Very low	28.7	Very low	150 Å²	150	112.8 Å²	112.8	70%	0.701	56%	0.561	S	S	*	*	H	α-helix	trans	-77	-35.3	174.6	-74	-177.8	157.7	0	0	111.9	C182	C182-E186 WeakPolarHBondContact O-CB 3.34Å; C182-E186 WeakPolarHBondContact O-CG 3.34Å; C182-E186 PolarHBondContact O-N 2.77Å
187	F	25.5	Very low	28.3	Very low	96 Å²	96	112.5 Å²	112.5	42%	0.421	58%	0.578	S	S	.	*	S	Bend	trans	-104.7	14.9	176.4	-72	-94.9	0	0	0	114.4	Y183 C189 C190 G191	Y183-F187 AromaticContact CD1-CD2 3.32Å; Y183-F187 HydrophobicContact CD1-CD2 3.32Å; Y183-F187 AromaticContact CD1-CE2 3.59Å; Y183-F187 HydrophobicContact CD1-CE2 3.59Å; Y183-F187 HydrophobicContact CD1-CG 4.23Å; Y183-F187 AromaticContact CE1-CD2 3.47Å; Y183-F187 HydrophobicContact CE1-CD2 3.47Å; Y183-F187 VanDerWaalsContact CE1-CD2 3.47Å; Y183-F187 AromaticContact CE1-CE2 3.18Å; Y183-F187 HydrophobicContact CE1-CE2 3.18Å; Y183-F187 HydrophobicContact CE1-CG 4.44Å; Y183-F187 AromaticContact CE1-CZ 3.99Å; Y183-F187 HydrophobicContact CE1-CZ 3.99Å; Y183-F187 HydrophobicContact CG-CD2 4.21Å; Y183-F187 AromaticContact CZ-CE2 3.85Å; Y183-F187 WeakPolarHBondContact O-CA 3.45Å; Y183-F187 WeakPolarHBondContact O-CB 3.46Å; Y183-F187 PolarHBondContact O-N 3.04Å; F187-C189 PolarHBondContact O-N 3.48Å; F187-C190 HydrophobicContact CD1-CB 4.3Å; F187-C190 PolarHBondContact O-N 2.89Å; F187-G191 PolarHBondContact O-N 2.77Å
188	K	26.5	Very low	28	Very low	165 Å²	165	116.1 Å²	116.1	72%	0.717	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-16.3	169.6	-120	169.1	-173.5	-172.5	0	112.7	N184	N184-K188 WeakPolarHBondContact O-CA 3.35Å; N184-K188 WeakPolarHBondContact O-CB 3.36Å; N184-K188 WeakPolarHBondContact O-CD 3.46Å; N184-K188 WeakPolarHBondContact O-CG 3.37Å; N184-K188 PolarHBondContact O-N 2.72Å
189	C	30.4	Very low	27.6	Very low	35 Å²	35	112 Å²	112	24%	0.236	58%	0.582	C	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	-16.7	169.1	-74.3	0	0	0	0	114.3	F187 R221	F187-C189 PolarHBondContact O-N 3.48Å; C189-R221 WeakPolarHBondContact O-CD 3.39Å; C189-R221 PolarHBondContact O-NH1 3.35Å
190	C	29.8	Very low	27.2	Very low	63 Å²	63	115.4 Å²	115.4	43%	0.426	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.7	5.5	-173.6	-61	0	0	0	0	115.3	F187 R192	F187-C190 HydrophobicContact CD1-CB 4.3Å; F187-C190 PolarHBondContact O-N 2.89Å; C190-R192 PolarHBondContact O-N 2.67Å
191	G	23.6	Very low	26.9	Very low	62 Å²	62	115.4 Å²	115.4	64%	0.639	61%	0.611	S	S	*	*			trans	-68.9	32.6	-173	0	0	0	0	0	119	F187	F187-G191 PolarHBondContact O-N 2.77Å
192	R	25.9	Very low	26.6	Very low	171 Å²	171	114.2 Å²	114.2	65%	0.645	61%	0.612	S	S	*	*			trans	-98.4	17.2	166.5	-83.5	-168.6	-177.7	177.8	1.1	113.8	C190	C190-R192 PolarHBondContact O-N 2.67Å
193	L	29.6	Very low	26.3	Very low	138 Å²	138	116.5 Å²	116.5	72%	0.723	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-12.9	-177.1	-101.9	146.5	0	0	0	115.5
194	H	25.4	Very low	26.3	Very low	187 Å²	187	113.5 Å²	113.5	87%	0.866	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	0.5	-179.7	-86.7	-38.5	0	0	0	116.6
195	S	25.8	Very low	26.2	Very low	81 Å²	81	118.3 Å²	118.3	57%	0.566	65%	0.649	S	S	*	*	S	Bend	trans	-91.5	0	169	56	0	0	0	0	113.9
196	V	26.4	Very low	26.1	Very low	100 Å²	100	117 Å²	117	61%	0.606	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-80.3	-22.7	-178.8	-172.6	0	0	0	0	112.3	K198 C199	V196-K198 PolarHBondContact O-N 3.32Å; V196-K198 VanDerWaalsContact O-N 3.16Å; V196-C199 PolarHBondContact O-N 3.06Å
197	G	25.1	Very low	26.1	Very low	76 Å²	76	115.2 Å²	115.2	78%	0.784	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-72.3	-2.3	177.3	0	0	0	0	0	115.9
198	K	23.9	Very low	26.4	Very low	201 Å²	201	118 Å²	118	87%	0.874	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-130.1	16.7	172.1	-80.8	-168.5	174.8	-175.5	0	113.4	V196	V196-K198 PolarHBondContact O-N 3.32Å; V196-K198 VanDerWaalsContact O-N 3.16Å
199	C	22.9	Very low	26.7	Very low	55 Å²	55	117.3 Å²	117.3	37%	0.372	66%	0.655	S	S	.	*			trans	-111.1	40.4	-178.3	-139.8	0	0	0	0	112.4	V196 C201 T202	V196-C199 PolarHBondContact O-N 3.06Å; C199-C201 PolarHBondContact O-N 3.1Å; C199-C201 VanDerWaalsContact O-N 3.14Å; C199-T202 PolarHBondContact SG-OG1 3.05Å
200	E	24.3	Very low	26.7	Very low	185 Å²	185	117.5 Å²	117.5	86%	0.864	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	4.4	168.6	-73.7	-174.9	159.3	0	0	112.9
201	C	24	Very low	26.8	Very low	116 Å²	116	119.1 Å²	119.1	78%	0.784	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-3.7	-179.3	-44	0	0	0	0	115.1	C199	C199-C201 PolarHBondContact O-N 3.1Å; C199-C201 VanDerWaalsContact O-N 3.14Å
202	T	24.8	Very low	27.2	Very low	85 Å²	85	118.8 Å²	118.8	52%	0.521	65%	0.646	S	S	.	*	S	Bend	trans	-130.5	4.8	-177.5	48.4	0	0	0	0	116.3	C199 A204	C199-T202 PolarHBondContact SG-OG1 3.05Å; T202-A204 PolarHBondContact O-N 2.86Å
203	T	25.9	Very low	27.6	Very low	114 Å²	114	113.5 Å²	113.5	70%	0.699	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-6.3	170.3	38.8	0	0	0	0	113.6
204	A	27.5	Very low	27.7	Very low	82 Å²	82	114.6 Å²	114.6	68%	0.678	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-11.5	-178.9	0	0	0	0	0	115.7	T202	T202-A204 PolarHBondContact O-N 2.86Å
205	H	24.8	Very low	28.3	Very low	182 Å²	182	109.9 Å²	109.9	84%	0.843	60%	0.604	S	S	*	*			trans	-151.5	46.5	179.6	-80	-53.4	0	0	0	114.6	D207	H205-D207 PolarHBondContact O-N 2.96Å
206	L	26.2	Very low	29.1	Very low	112 Å²	112	107.4 Å²	107.4	59%	0.586	58%	0.584	S	S	*	*			trans	-82	96.7	168.4	-76.3	167.3	0	0	0	109.7	A210	L206-A210 HydrophobicContact CD2-CB 4.36Å
207	D	30	Very low	30.2	Very low	113 Å²	113	104 Å²	104	60%	0.604	57%	0.565	S	S	*	*			trans	-53.1	144.7	173.7	-162.3	-6.9	0	0	0	111.6	H205 Q209 A210	H205-D207 PolarHBondContact O-N 2.96Å; D207-Q209 PolarHBondContact O-N 3.15Å; D207-A210 WeakPolarHBondContact O-CB 3.45Å; D207-A210 PolarHBondContact O-N 3.22Å
208	E	32	Very low	31.4	Very low	154 Å²	154	101.2 Å²	101.2	72%	0.72	54%	0.535	S	S	*	.	H	α-helix	trans	-57.4	-26.3	-171.4	-147.7	174.3	-164.6	0	0	112.2	A210 N212	E208-A210 PolarHBondContact O-N 3.41Å; E208-N212 PolarHBondContact O-N 3.14Å; E208-N212 PolarHBondContact O-ND2 2.96Å
209	Q	32.7	Very low	32.7	Very low	152 Å²	152	92.2 Å²	92.2	71%	0.71	50%	0.497	S	S	*	.	H	α-helix	trans	-62.7	-36.3	172.7	-75.1	-172	-10.6	0	0	113.9	D207 N212 S213	D207-Q209 PolarHBondContact O-N 3.15Å; Q209-N212 PolarHBondContact O-N 2.92Å; Q209-S213 PolarHBondContact O-N 2.97Å
210	A	30.7	Very low	34.2	Very low	38 Å²	38	95.2 Å²	95.2	31%	0.314	51%	0.505	S	S	.	.	H	α-helix	trans	-71.6	-39.4	-176.7	0	0	0	0	0	111.8	L206 D207 E208 S213 W214	L206-A210 HydrophobicContact CD2-CB 4.36Å; D207-A210 WeakPolarHBondContact O-CB 3.45Å; D207-A210 PolarHBondContact O-N 3.22Å; E208-A210 PolarHBondContact O-N 3.41Å; A210-S213 PolarHBondContact O-N 3.37Å; A210-S213 PolarHBondContact O-OG 3.31Å; A210-W214 PolarHBondContact O-N 2.92Å
211	L	31.2	Very low	35.6	Very low	97 Å²	97	90.9 Å²	90.9	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-63	-41.9	173.7	-100.4	148.3	0	0	0	111.9	W214 R215	L211-W214 PolarHBondContact O-N 2.94Å; L211-R215 PolarHBondContact O-N 2.9Å
212	N	33	Very low	37	Very low	55 Å²	55	86.2 Å²	86.2	29%	0.294	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-37.2	177.3	-72	-29.1	0	0	0	112.4	E208 Q209 W214 M271	E208-N212 PolarHBondContact O-N 3.14Å; E208-N212 PolarHBondContact O-ND2 2.96Å; Q209-N212 PolarHBondContact O-N 2.92Å; N212-W214 VanDerWaalsContact C-N 3.28Å; N212-W214 PolarHBondContact O-N 3.45Å; N212-M271 HydrophobicContact CB-CE 4.39Å
213	S	33	Very low	38.6	Very low	60 Å²	60	84.1 Å²	84.1	42%	0.42	43%	0.434	S	S	.	.	H	α-helix	trans	-64.3	-31.5	173.7	78.6	0	0	0	0	113.2	Q209 A210 S217	Q209-S213 PolarHBondContact O-N 2.97Å; A210-S213 PolarHBondContact O-N 3.37Å; A210-S213 PolarHBondContact O-OG 3.31Å; S213-S217 PolarHBondContact O-N 2.61Å
214	W	32	Very low	40.1	Very low	162 Å²	162	80.5 Å²	80.5	61%	0.614	42%	0.416	S	S	*	.	H	α-helix	trans	-71.5	-40.3	-179.9	-105.4	52.3	0	0	0	113	A210 L211 N212 L216 S217 A218	A210-W214 PolarHBondContact O-N 2.92Å; L211-W214 PolarHBondContact O-N 2.94Å; N212-W214 VanDerWaalsContact C-N 3.28Å; N212-W214 PolarHBondContact O-N 3.45Å; W214-L216 PolarHBondContact O-N 2.99Å; W214-S217 PolarHBondContact O-N 3.13Å; W214-S217 VanDerWaalsContact O-N 3.14Å; W214-S217 PolarHBondContact O-OG 3.27Å; W214-A218 PolarHBondContact O-N 3.31Å
215	R	38.4	Very low	41.5	Very low	87 Å²	87	78.4 Å²	78.4	33%	0.328	40%	0.398	S	S	.	.	H	α-helix	trans	-58.9	-45.7	176.8	-78.6	-171.2	-177.6	-161	14.7	111.8	L211 S217 A218 N319	L211-R215 PolarHBondContact O-N 2.9Å; R215-S217 PolarHBondContact O-N 2.61Å; R215-A218 PolarHBondContact O-N 3.09Å; R215-A218 VanDerWaalsContact O-N 3.12Å; R215-N319 PolarHBondContact NE-ND2 2.96Å; R215-N319 PolarHBondContact NH2-O 3.09Å
216	L	42.7	Very low	43	Very low	29 Å²	29	70.2 Å²	70.2	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-56	-38.6	175.9	-77.2	158.7	0	0	0	111.9	W214 A218 E220 M271 L274	W214-L216 PolarHBondContact O-N 2.99Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 3.43Å; L216-E220 PolarHBondContact O-N 3.27Å; L216-M271 HydrophobicContact CD1-CE 3.7Å; L216-M271 HydrophobicContact CD1-CG 4.21Å; L216-L274 HydrophobicContact CD2-CB 3.71Å; L216-L274 HydrophobicContact CD2-CD1 3.88Å; L216-L274 HydrophobicContact CD2-CG 4.34Å
217	S	48.4	Very low	44.6	Very low	29 Å²	29	66.7 Å²	66.7	20%	0.203	34%	0.343	C	S	.	.	H	α-helix	trans	-70	-25.9	-179.5	91.2	0	0	0	0	114	S213 W214 R215 R221	S213-S217 PolarHBondContact O-N 2.61Å; W214-S217 PolarHBondContact O-N 3.13Å; W214-S217 VanDerWaalsContact O-N 3.14Å; W214-S217 PolarHBondContact O-OG 3.27Å; R215-S217 PolarHBondContact O-N 2.61Å; S217-R221 WeakPolarHBondContact O-CB 3.17Å; S217-R221 WeakPolarHBondContact O-CD 3.31Å; S217-R221 WeakPolarHBondContact O-CG 3.39Å; S217-R221 PolarHBondContact O-N 2.78Å
218	A	50.5	Low	45.7	Very low	17 Å²	17	69.1 Å²	69.1	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-69.5	-47.4	-179	0	0	0	0	0	110.9	W214 R215 L216 E220 R221 I222	W214-A218 PolarHBondContact O-N 3.31Å; R215-A218 PolarHBondContact O-N 3.09Å; R215-A218 VanDerWaalsContact O-N 3.12Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 3.43Å; A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 PolarHBondContact O-N 2.86Å; A218-R221 WeakPolarHBondContact O-CB 3.2Å; A218-R221 PolarHBondContact O-N 3.01Å; A218-R221 VanDerWaalsContact O-N 3.15Å; A218-I222 VanDerWaalsContact O-CG1 3.22Å; A218-I222 WeakPolarHBondContact O-CG1 2.97Å; A218-I222 PolarHBondContact O-N 3.26Å
219	C	52.7	Low	46.7	Very low	12 Å²	12	64.5 Å²	64.5	8%	0.081	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-39.1	175.6	-75.5	0	0	0	0	112.2	I222 L223	C219-I222 PolarHBondContact O-N 3.21Å; C219-L223 WeakPolarHBondContact O-CB 2.95Å; C219-L223 PolarHBondContact O-N 3.27Å
220	E	54.4	Low	47.8	Very low	118 Å²	118	60.9 Å²	60.9	55%	0.551	30%	0.3	S	S	*	.	H	α-helix	trans	-64.6	-39.8	174	-71.3	-173.3	168	0	0	112.5	L216 A218 L223 A224	L216-E220 PolarHBondContact O-N 3.27Å; A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 PolarHBondContact O-N 2.86Å; E220-L223 PolarHBondContact O-N 3.47Å; E220-A224 WeakPolarHBondContact O-CB 3.31Å; E220-A224 PolarHBondContact O-N 2.92Å
221	R	52.5	Low	49	Very low	95 Å²	95	62.8 Å²	62.8	36%	0.358	31%	0.305	S	S	.	.	H	α-helix	trans	-66.3	-38.2	174.7	-73.9	167.5	-174.5	-164.8	21.2	112.1	C189 S217 A218 A225	C189-R221 WeakPolarHBondContact O-CD 3.39Å; C189-R221 PolarHBondContact O-NH1 3.35Å; S217-R221 WeakPolarHBondContact O-CB 3.17Å; S217-R221 WeakPolarHBondContact O-CD 3.31Å; S217-R221 WeakPolarHBondContact O-CG 3.39Å; S217-R221 PolarHBondContact O-N 2.78Å; A218-R221 WeakPolarHBondContact O-CB 3.2Å; A218-R221 PolarHBondContact O-N 3.01Å; A218-R221 VanDerWaalsContact O-N 3.15Å; R221-A225 VanDerWaalsContact O-CB 3.26Å; R221-A225 WeakPolarHBondContact O-CB 3.18Å; R221-A225 PolarHBondContact O-N 3.46Å
222	I	53.6	Low	49.9	Very low	17 Å²	17	63.2 Å²	63.2	9%	0.087	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-47.6	175.5	-68.1	171.9	0	0	0	109.8	A218 C219 A224 A225 F226 L282 T311	A218-I222 VanDerWaalsContact O-CG1 3.22Å; A218-I222 WeakPolarHBondContact O-CG1 2.97Å; A218-I222 PolarHBondContact O-N 3.26Å; C219-I222 PolarHBondContact O-N 3.21Å; I222-A224 PolarHBondContact O-N 3.48Å; I222-A225 WeakPolarHBondContact O-CB 3.13Å; I222-A225 PolarHBondContact O-N 3.11Å; I222-F226 HydrophobicContact CG2-CD2 3.66Å; I222-F226 HydrophobicContact CG2-CE2 3.21Å; I222-F226 HydrophobicContact CG2-CZ 3.93Å; I222-F226 WeakPolarHBondContact O-CD2 3.27Å; I222-F226 WeakPolarHBondContact O-CG 3.48Å; I222-F226 PolarHBondContact O-N 3.43Å; I222-L282 HydrophobicContact CD1-CD2 4.23Å; I222-T311 HydrophobicContact CB-CG2 4.45Å; I222-T311 HydrophobicContact CD1-CG2 4.28Å; I222-T311 HydrophobicContact CG1-CG2 3.76Å; I222-T311 HydrophobicContact CG2-CG2 4.16Å
223	L	58.1	Low	50.6	Low	41 Å²	41	61.1 Å²	61.1	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-48.2	175.1	-177.9	66	0	0	0	111	C219 E220 A225 F226 V227 V251 V254	C219-L223 WeakPolarHBondContact O-CB 2.95Å; C219-L223 PolarHBondContact O-N 3.27Å; E220-L223 PolarHBondContact O-N 3.47Å; L223-A225 VanDerWaalsContact C-N 3.28Å; L223-A225 PolarHBondContact O-N 3.07Å; L223-F226 PolarHBondContact O-N 3.31Å; L223-V227 HydrophobicContact CD1-CG2 4.3Å; L223-V227 HydrophobicContact CG-CG2 4.36Å; L223-V227 WeakPolarHBondContact O-CB 3.41Å; L223-V227 VanDerWaalsContact O-CG2 3.3Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.48Å; L223-V251 HydrophobicContact CD1-CG2 4.4Å; L223-V254 HydrophobicContact CD1-CB 3.73Å; L223-V254 HydrophobicContact CD1-CG1 3.87Å; L223-V254 HydrophobicContact CD1-CG2 3.82Å; L223-V254 HydrophobicContact CD2-CG1 3.86Å; L223-V254 HydrophobicContact CG-CG1 4.3Å
224	A	57.8	Low	51.5	Low	39 Å²	39	67.5 Å²	67.5	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-61.7	-36.8	177.6	0	0	0	0	0	111.8	E220 I222 R228	E220-A224 WeakPolarHBondContact O-CB 3.31Å; E220-A224 PolarHBondContact O-N 2.92Å; I222-A224 PolarHBondContact O-N 3.48Å; A224-R228 VanDerWaalsContact O-CB 3.25Å; A224-R228 WeakPolarHBondContact O-CB 3.39Å; A224-R228 WeakPolarHBondContact O-CG 3.49Å; A224-R228 PolarHBondContact O-N 2.99Å
225	A	55.8	Low	52.2	Low	37 Å²	37	68.6 Å²	68.6	31%	0.306	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-44	174.2	0	0	0	0	0	111.5	R221 I222 L223 R228 Y229	R221-A225 VanDerWaalsContact O-CB 3.26Å; R221-A225 WeakPolarHBondContact O-CB 3.18Å; R221-A225 PolarHBondContact O-N 3.46Å; I222-A225 WeakPolarHBondContact O-CB 3.13Å; I222-A225 PolarHBondContact O-N 3.11Å; L223-A225 VanDerWaalsContact C-N 3.28Å; L223-A225 PolarHBondContact O-N 3.07Å; A225-R228 PolarHBondContact O-N 3.48Å; A225-Y229 VanDerWaalsContact O-CB 3.27Å; A225-Y229 WeakPolarHBondContact O-CB 3.38Å; A225-Y229 PolarHBondContact O-N 3.12Å
226	F	58.1	Low	52.5	Low	10 Å²	10	72.1 Å²	72.1	4%	0.044	35%	0.348	C	S	.	.	H	α-helix	trans	-66.9	-41.2	176.3	-69.4	-41.3	0	0	0	112.9	I222 L223 Y229 R230 V250 V251 M285 M308	I222-F226 HydrophobicContact CG2-CD2 3.66Å; I222-F226 HydrophobicContact CG2-CE2 3.21Å; I222-F226 HydrophobicContact CG2-CZ 3.93Å; I222-F226 WeakPolarHBondContact O-CD2 3.27Å; I222-F226 WeakPolarHBondContact O-CG 3.48Å; I222-F226 PolarHBondContact O-N 3.43Å; L223-F226 PolarHBondContact O-N 3.31Å; F226-Y229 PolarHBondContact O-N 3.02Å; F226-R230 WeakPolarHBondContact O-CB 3.47Å; F226-R230 PolarHBondContact O-N 3.47Å; F226-V250 HydrophobicContact CD2-CG1 3.64Å; F226-V250 HydrophobicContact CE2-CG1 3.89Å; F226-V250 HydrophobicContact CG-CG1 4.31Å; F226-V251 HydrophobicContact CB-CG2 4.31Å; F226-M285 HydrophobicContact CE2-SD 4.28Å; F226-M308 HydrophobicContact CD1-CE 3.79Å; F226-M308 HydrophobicContact CD1-CG 4.16Å; F226-M308 HydrophobicContact CE1-CB 3.66Å; F226-M308 HydrophobicContact CE1-CE 3.54Å; F226-M308 HydrophobicContact CE1-CG 3.51Å; F226-M308 HydrophobicContact CE1-SD 4.23Å; F226-M308 HydrophobicContact CG-CE 4.49Å; F226-M308 HydrophobicContact CZ-CB 4.05Å; F226-M308 HydrophobicContact CZ-CE 3.95Å; F226-M308 HydrophobicContact CZ-CG 4.35Å
227	V	58	Low	52.7	Low	39 Å²	39	71.1 Å²	71.1	24%	0.236	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-47.4	174.6	171.1	0	0	0	0	110.2	L223 Y229 R230 D231 V251	L223-V227 HydrophobicContact CD1-CG2 4.3Å; L223-V227 HydrophobicContact CG-CG2 4.36Å; L223-V227 WeakPolarHBondContact O-CB 3.41Å; L223-V227 VanDerWaalsContact O-CG2 3.3Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.48Å; V227-Y229 VanDerWaalsContact C-N 3.29Å; V227-Y229 PolarHBondContact O-N 2.94Å; V227-R230 WeakPolarHBondContact O-CB 3.43Å; V227-R230 PolarHBondContact O-N 3.36Å; V227-D231 WeakPolarHBondContact CG1-OD2 3.4Å; V227-D231 WeakPolarHBondContact O-CB 3.24Å; V227-D231 PolarHBondContact O-N 3.12Å; V227-V251 HydrophobicContact CG2-CG1 4.19Å; V227-V251 HydrophobicContact CG2-CG2 4.1Å
228	R	54.5	Low	53	Low	164 Å²	164	74.5 Å²	74.5	62%	0.619	36%	0.362	S	S	*	.	H	α-helix	trans	-60.6	-39.6	175.2	-77.3	176.9	-177	-174.9	3.2	112.1	A224 A225 D231 S232	A224-R228 VanDerWaalsContact O-CB 3.25Å; A224-R228 WeakPolarHBondContact O-CB 3.39Å; A224-R228 WeakPolarHBondContact O-CG 3.49Å; A224-R228 PolarHBondContact O-N 2.99Å; A225-R228 PolarHBondContact O-N 3.48Å; R228-D231 PolarHBondContact O-N 3.15Å; R228-S232 WeakPolarHBondContact O-CB 3.43Å; R228-S232 PolarHBondContact O-N 2.91Å; R228-S232 PolarHBondContact O-OG 2.79Å
229	Y	52.8	Low	52.9	Low	57 Å²	57	82.8 Å²	82.8	22%	0.224	40%	0.395	C	S	.	.	H	α-helix	trans	-64.7	-47.5	176.5	178.4	-101.9	0	0	0	111.2	A225 F226 V227 D231 S232 A233 M237 T243 V247 H304	A225-Y229 VanDerWaalsContact O-CB 3.27Å; A225-Y229 WeakPolarHBondContact O-CB 3.38Å; A225-Y229 PolarHBondContact O-N 3.12Å; F226-Y229 PolarHBondContact O-N 3.02Å; V227-Y229 VanDerWaalsContact C-N 3.29Å; V227-Y229 PolarHBondContact O-N 2.94Å; Y229-D231 VanDerWaalsContact C-N 3.3Å; Y229-D231 PolarHBondContact O-N 3.34Å; Y229-S232 PolarHBondContact O-N 3.46Å; Y229-A233 HydrophobicContact CE1-CB 4.45Å; Y229-A233 HydrophobicContact CE2-CB 4.24Å; Y229-A233 WeakPolarHBondContact O-CB 3.05Å; Y229-A233 PolarHBondContact O-N 2.93Å; Y229-M237 HydrophobicContact CD1-CE 3.7Å; Y229-M237 HydrophobicContact CE1-CE 3.46Å; Y229-M237 VanDerWaalsContact CE1-CE 3.46Å; Y229-M237 HydrophobicContact CE1-SD 4.44Å; Y229-T243 HydrophobicContact CE1-CG2 4.04Å; Y229-V247 HydrophobicContact CD1-CG2 4.08Å; Y229-V247 HydrophobicContact CE1-CG2 4.19Å; Y229-H304 HydrophobicContact CE2-CB 4.31Å; Y229-H304 AromaticContact CE2-CG 3.99Å; Y229-H304 AromaticContact CE2-ND1 3.65Å; Y229-H304 AromaticContact CZ-CG 3.73Å; Y229-H304 AromaticContact CZ-ND1 3.91Å; Y229-H304 WeakPolarHBondContact OH-CB 3.48Å; Y229-H304 PolarHBondContact OH-CD2 3.32Å; Y229-H304 PolarHBondContact OH-ND1 2.9Å
230	R	54.8	Low	53.1	Low	76 Å²	76	84.2 Å²	84.2	29%	0.287	40%	0.402	S	S	.	.	H	α-helix	trans	-53.4	-48	173.5	-172.5	-167.1	65.6	-174.2	-2.8	111.7	F226 V227 R234 M237 V247 D248	F226-R230 WeakPolarHBondContact O-CB 3.47Å; F226-R230 PolarHBondContact O-N 3.47Å; V227-R230 WeakPolarHBondContact O-CB 3.43Å; V227-R230 PolarHBondContact O-N 3.36Å; R230-R234 PolarHBondContact O-N 3.06Å; R230-M237 HydrophobicContact CB-CE 4.41Å; R230-V247 HydrophobicContact CB-CG1 3.76Å; R230-V247 HydrophobicContact CG-CG1 4.15Å; R230-D248 WeakPolarHBondContact CD-OD1 3.26Å
231	D	56.7	Low	53.3	Low	78 Å²	78	83.8 Å²	83.8	42%	0.417	40%	0.403	S	S	.	.	H	α-helix	trans	-73	-37.3	-174.9	-62.6	-13.8	0	0	0	111.3	V227 R228 Y229	V227-D231 WeakPolarHBondContact CG1-OD2 3.4Å; V227-D231 WeakPolarHBondContact O-CB 3.24Å; V227-D231 PolarHBondContact O-N 3.12Å; R228-D231 PolarHBondContact O-N 3.15Å; Y229-D231 VanDerWaalsContact C-N 3.3Å; Y229-D231 PolarHBondContact O-N 3.34Å
232	S	50	Low	53.5	Low	106 Å²	106	83.2 Å²	83.2	74%	0.741	41%	0.406	S	S	*	.	H	α-helix	trans	-75.9	-33.7	178.7	-54.4	0	0	0	0	112.8	R228 Y229	R228-S232 WeakPolarHBondContact O-CB 3.43Å; R228-S232 PolarHBondContact O-N 2.91Å; R228-S232 PolarHBondContact O-OG 2.79Å; Y229-S232 PolarHBondContact O-N 3.46Å
233	A	48.6	Very low	53.6	Low	10 Å²	10	82.4 Å²	82.4	8%	0.083	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	8.8	-176.3	0	0	0	0	0	113.6	Y229 K235 F236 M237	Y229-A233 HydrophobicContact CE1-CB 4.45Å; Y229-A233 HydrophobicContact CE2-CB 4.24Å; Y229-A233 WeakPolarHBondContact O-CB 3.05Å; Y229-A233 PolarHBondContact O-N 2.93Å; A233-K235 PolarHBondContact O-N 2.92Å; A233-F236 CarbonylContact O-C 3.27Å; A233-F236 WeakPolarHBondContact O-CA 3.02Å; A233-F236 PolarHBondContact O-N 3.23Å; A233-M237 HydrophobicContact CB-CE 4.37Å; A233-M237 HydrophobicContact CB-CG 3.77Å; A233-M237 WeakPolarHBondContact O-CB 3.28Å; A233-M237 VanDerWaalsContact O-CG 3.29Å; A233-M237 WeakPolarHBondContact O-CG 3.49Å; A233-M237 PolarHBondContact O-N 3.39Å
234	R	51.3	Low	53.7	Low	194 Å²	194	84 Å²	84	73%	0.732	41%	0.408	S	S	*	.	H	α-helix	trans	-46.5	-38.6	-173.9	-125.1	179.9	-167	179.1	5	114.7	R230 T238	R230-R234 PolarHBondContact O-N 3.06Å; R234-T238 PolarHBondContact O-OG1 2.91Å
235	K	47	Very low	54	Low	186 Å²	186	87.2 Å²	87.2	81%	0.809	42%	0.419	S	S	*	.	H	α-helix	trans	-75.4	-27.2	177	-75.3	-174.7	177.3	179.8	0	114.5	A233 T238	A233-K235 PolarHBondContact O-N 2.92Å; K235-T238 PolarHBondContact O-OG1 2.91Å
236	F	43.9	Very low	54.1	Low	161 Å²	161	86.2 Å²	86.2	71%	0.706	41%	0.409	S	S	*	.	H	α-helix	trans	-86.2	-40.3	176.1	-82.7	-84.1	0	0	0	111.5	A233 T238 K239 D240	A233-F236 CarbonylContact O-C 3.27Å; A233-F236 WeakPolarHBondContact O-CA 3.02Å; A233-F236 PolarHBondContact O-N 3.23Å; F236-T238 PolarHBondContact O-N 2.84Å; F236-K239 PolarHBondContact O-N 2.98Å; F236-D240 PolarHBondContact O-N 3Å; F236-D240 VanDerWaalsContact O-N 3.08Å
237	M	47.1	Very low	54.3	Low	7 Å²	7	85.7 Å²	85.7	3%	0.034	41%	0.407	C	S	.	.	H	α-helix	trans	-59.3	-24.4	176.3	-68.2	-79.3	-148.1	0	0	113.2	Y229 R230 A233 K239 T243 K244 V247	Y229-M237 HydrophobicContact CD1-CE 3.7Å; Y229-M237 HydrophobicContact CE1-CE 3.46Å; Y229-M237 VanDerWaalsContact CE1-CE 3.46Å; Y229-M237 HydrophobicContact CE1-SD 4.44Å; R230-M237 HydrophobicContact CB-CE 4.41Å; A233-M237 HydrophobicContact CB-CE 4.37Å; A233-M237 HydrophobicContact CB-CG 3.77Å; A233-M237 WeakPolarHBondContact O-CB 3.28Å; A233-M237 VanDerWaalsContact O-CG 3.29Å; A233-M237 WeakPolarHBondContact O-CG 3.49Å; A233-M237 PolarHBondContact O-N 3.39Å; M237-K239 VanDerWaalsContact C-N 3.27Å; M237-K239 PolarHBondContact O-N 3.39Å; M237-T243 HydrophobicContact SD-CG2 4.17Å; M237-K244 HydrophobicContact CB-CB 4.08Å; M237-K244 HydrophobicContact CB-CD 4.31Å; M237-K244 HydrophobicContact CB-CG 4.16Å; M237-K244 WeakPolarHBondContact SD-CA 3.43Å; M237-K244 HydrophobicContact SD-CB 3.73Å; M237-K244 HydrophobicContact SD-CG 4.24Å; M237-V247 HydrophobicContact CE-CB 3.88Å; M237-V247 HydrophobicContact CE-CG1 3.93Å; M237-V247 HydrophobicContact CE-CG2 3.87Å
238	T	53.8	Low	54.6	Low	100 Å²	100	85.8 Å²	85.8	61%	0.613	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.9	172.2	37.9	0	0	0	0	113.6	R234 K235 F236	R234-T238 PolarHBondContact O-OG1 2.91Å; K235-T238 PolarHBondContact O-OG1 2.91Å; F236-T238 PolarHBondContact O-N 2.84Å
239	K	49	Very low	55	Low	192 Å²	192	80 Å²	80	84%	0.835	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-33.3	176.4	-69.4	-173.4	176.4	-175.9	0	112.4	F236 M237	F236-K239 PolarHBondContact O-N 2.98Å; M237-K239 VanDerWaalsContact C-N 3.27Å; M237-K239 PolarHBondContact O-N 3.39Å
240	D	56.2	Low	55.4	Low	41 Å²	41	77.7 Å²	77.7	22%	0.219	39%	0.389	C	S	.	.			trans	-104.3	79.3	178.5	-178	10	0	0	0	110.6	F236 L242 T243 K244 I302	F236-D240 PolarHBondContact O-N 3Å; F236-D240 VanDerWaalsContact O-N 3.08Å; D240-L242 PolarHBondContact O-N 2.82Å; D240-L242 PolarHBondContact OD1-N 3.02Å; D240-T243 PolarHBondContact OD1-N 3.32Å; D240-T243 WeakPolarHBondContact OD2-CB 3.41Å; D240-T243 PolarHBondContact OD2-OG1 3.19Å; D240-K244 PolarHBondContact O-N 2.98Å; D240-I302 WeakPolarHBondContact OD2-CD1 3.39Å
241	L	60.5	Low	55.8	Low	109 Å²	109	74.4 Å²	74.4	57%	0.571	38%	0.377	S	S	*	.	H	α-helix	trans	-60.7	-27.2	-179.5	-70.9	166.6	0	0	0	112.4	N245	L241-N245 WeakPolarHBondContact O-CB 3.42Å; L241-N245 PolarHBondContact O-N 3.4Å; L241-N245 PolarHBondContact O-ND2 3.35Å; L241-N245 PolarHBondContact O-OD1 3.39Å
242	L	56.6	Low	56.3	Low	83 Å²	83	74.9 Å²	74.9	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-71.9	-53.3	-177.2	-157.4	131.6	0	0	0	110.4	D240 K244 N245 V246 L305	D240-L242 PolarHBondContact O-N 2.82Å; D240-L242 PolarHBondContact OD1-N 3.02Å; L242-K244 PolarHBondContact O-N 3.43Å; L242-N245 PolarHBondContact O-N 2.83Å; L242-V246 WeakPolarHBondContact O-CG2 3.44Å; L242-V246 PolarHBondContact O-N 3.39Å; L242-V246 VanDerWaalsContact O-N 3.08Å; L242-L305 HydrophobicContact CD2-CD1 4.23Å
243	T	55.4	Low	56.7	Low	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.3	-37.3	174.8	-60.3	0	0	0	0	111.8	Y229 M237 D240 V246 V247	Y229-T243 HydrophobicContact CE1-CG2 4.04Å; M237-T243 HydrophobicContact SD-CG2 4.17Å; D240-T243 PolarHBondContact OD1-N 3.32Å; D240-T243 WeakPolarHBondContact OD2-CB 3.41Å; D240-T243 PolarHBondContact OD2-OG1 3.19Å; T243-V246 PolarHBondContact O-N 2.98Å; T243-V247 HydrophobicContact CG2-CG2 4.4Å; T243-V247 WeakPolarHBondContact O-CB 3.38Å; T243-V247 WeakPolarHBondContact O-CG2 3.31Å; T243-V247 PolarHBondContact O-N 3.05Å
244	K	60.3	Low	57.2	Low	76 Å²	76	71.6 Å²	71.6	33%	0.33	36%	0.356	S	S	.	.	H	α-helix	trans	-62	-51.3	176	-173.6	-172.8	170.9	-167.5	0	112	M237 D240 L242 V246 V247 D248	M237-K244 HydrophobicContact CB-CB 4.08Å; M237-K244 HydrophobicContact CB-CD 4.31Å; M237-K244 HydrophobicContact CB-CG 4.16Å; M237-K244 WeakPolarHBondContact SD-CA 3.43Å; M237-K244 HydrophobicContact SD-CB 3.73Å; M237-K244 HydrophobicContact SD-CG 4.24Å; D240-K244 PolarHBondContact O-N 2.98Å; L242-K244 PolarHBondContact O-N 3.43Å; K244-V246 VanDerWaalsContact C-N 3.26Å; K244-V246 PolarHBondContact O-N 3.33Å; K244-V247 PolarHBondContact O-N 3Å; K244-D248 WeakPolarHBondContact CE-OD2 3.5Å; K244-D248 WeakPolarHBondContact CG-OD2 3.37Å; K244-D248 WeakPolarHBondContact O-CB 3.35Å; K244-D248 PolarHBondContact O-N 2.94Å
245	N	62.9	Low	57.6	Low	106 Å²	106	65.1 Å²	65.1	57%	0.567	34%	0.338	S	S	*	.	H	α-helix	trans	-60	-38.3	-179.4	-72.1	-11.5	0	0	0	111.8	L241 L242 G249	L241-N245 WeakPolarHBondContact O-CB 3.42Å; L241-N245 PolarHBondContact O-N 3.4Å; L241-N245 PolarHBondContact O-ND2 3.35Å; L241-N245 PolarHBondContact O-OD1 3.39Å; L242-N245 PolarHBondContact O-N 2.83Å; N245-G249 PolarHBondContact O-N 3.25Å
246	V	59.6	Low	58.4	Low	15 Å²	15	63.3 Å²	63.3	9%	0.091	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-48.9	175	177.6	0	0	0	0	111	L242 T243 K244 G249 V250 I289 D292 L305 M308	L242-V246 WeakPolarHBondContact O-CG2 3.44Å; L242-V246 PolarHBondContact O-N 3.39Å; L242-V246 VanDerWaalsContact O-N 3.08Å; T243-V246 PolarHBondContact O-N 2.98Å; K244-V246 VanDerWaalsContact C-N 3.26Å; K244-V246 PolarHBondContact O-N 3.33Å; V246-G249 PolarHBondContact O-N 3.03Å; V246-V250 HydrophobicContact CG1-CG2 4.45Å; V246-V250 VanDerWaalsContact O-CB 3.29Å; V246-V250 WeakPolarHBondContact O-CB 3.19Å; V246-V250 WeakPolarHBondContact O-CG2 3.25Å; V246-V250 PolarHBondContact O-N 3.06Å; V246-I289 HydrophobicContact CG1-CG1 4.43Å; V246-D292 HydrophobicContact CG2-CB 4.44Å; V246-D292 WeakPolarHBondContact CG2-OD2 3.25Å; V246-L305 HydrophobicContact CB-CD2 4.38Å; V246-L305 HydrophobicContact CG1-CD2 4.18Å; V246-L305 HydrophobicContact CG2-CD2 4.35Å; V246-M308 HydrophobicContact CG1-CE 4.04Å; V246-M308 HydrophobicContact CG1-SD 4.48Å
247	V	61.1	Low	59.2	Low	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-44.7	-179.5	170.3	0	0	0	0	112	Y229 R230 M237 T243 K244 V250 V251 M308	Y229-V247 HydrophobicContact CD1-CG2 4.08Å; Y229-V247 HydrophobicContact CE1-CG2 4.19Å; R230-V247 HydrophobicContact CB-CG1 3.76Å; R230-V247 HydrophobicContact CG-CG1 4.15Å; M237-V247 HydrophobicContact CE-CB 3.88Å; M237-V247 HydrophobicContact CE-CG1 3.93Å; M237-V247 HydrophobicContact CE-CG2 3.87Å; T243-V247 HydrophobicContact CG2-CG2 4.4Å; T243-V247 WeakPolarHBondContact O-CB 3.38Å; T243-V247 WeakPolarHBondContact O-CG2 3.31Å; T243-V247 PolarHBondContact O-N 3.05Å; K244-V247 PolarHBondContact O-N 3Å; V247-V250 PolarHBondContact O-N 3.29Å; V247-V251 HydrophobicContact CG1-CG2 4.43Å; V247-V251 WeakPolarHBondContact O-CB 3.37Å; V247-V251 VanDerWaalsContact O-CG2 3.28Å; V247-V251 WeakPolarHBondContact O-CG2 3.38Å; V247-V251 PolarHBondContact O-N 3.13Å; V247-M308 HydrophobicContact CG2-CE 3.56Å; V247-M308 HydrophobicContact CG2-SD 3.42Å; V247-M308 WeakPolarHBondContact CG2-SD 3.5Å
248	D	64.9	Low	59.7	Low	41 Å²	41	62 Å²	62	22%	0.219	32%	0.321	C	S	.	.	H	α-helix	trans	-65.4	-44.5	178.5	-72.5	-17.8	0	0	0	110.5	R230 K244 V250 V251 D252	R230-D248 WeakPolarHBondContact CD-OD1 3.26Å; K244-D248 WeakPolarHBondContact CE-OD2 3.5Å; K244-D248 WeakPolarHBondContact CG-OD2 3.37Å; K244-D248 WeakPolarHBondContact O-CB 3.35Å; K244-D248 PolarHBondContact O-N 2.94Å; D248-V250 VanDerWaalsContact C-N 3.34Å; D248-V250 PolarHBondContact O-N 3.34Å; D248-V251 PolarHBondContact O-N 3.16Å; D248-D252 WeakPolarHBondContact O-CB 3.22Å; D248-D252 PolarHBondContact O-N 2.69Å
249	G	63.3	Low	60.2	Low	42 Å²	42	63.5 Å²	63.5	43%	0.433	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-39.4	176	0	0	0	0	0	113.3	N245 V246 S253	N245-G249 PolarHBondContact O-N 3.25Å; V246-G249 PolarHBondContact O-N 3.03Å; G249-S253 VanDerWaalsContact O-CB 3.25Å; G249-S253 WeakPolarHBondContact O-CB 3.31Å; G249-S253 PolarHBondContact O-N 3.49Å
250	V	60.3	Low	60.6	Low	8 Å²	8	58.3 Å²	58.3	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-54.1	173	158.4	0	0	0	0	110.3	F226 V246 V247 D248 D252 S253 V254 M285 M308	F226-V250 HydrophobicContact CD2-CG1 3.64Å; F226-V250 HydrophobicContact CE2-CG1 3.89Å; F226-V250 HydrophobicContact CG-CG1 4.31Å; V246-V250 HydrophobicContact CG1-CG2 4.45Å; V246-V250 VanDerWaalsContact O-CB 3.29Å; V246-V250 WeakPolarHBondContact O-CB 3.19Å; V246-V250 WeakPolarHBondContact O-CG2 3.25Å; V246-V250 PolarHBondContact O-N 3.06Å; V247-V250 PolarHBondContact O-N 3.29Å; D248-V250 VanDerWaalsContact C-N 3.34Å; D248-V250 PolarHBondContact O-N 3.34Å; V250-D252 PolarHBondContact O-N 3.42Å; V250-S253 PolarHBondContact O-N 2.98Å; V250-V254 WeakPolarHBondContact O-CG2 3.45Å; V250-V254 PolarHBondContact O-N 3.5Å; V250-M285 HydrophobicContact CB-CE 4.06Å; V250-M285 HydrophobicContact CG1-CE 3.19Å; V250-M285 HydrophobicContact CG1-SD 3.9Å; V250-M285 HydrophobicContact CG2-CE 4.26Å; V250-M285 HydrophobicContact CG2-CG 4.15Å; V250-M285 HydrophobicContact CG2-SD 4.43Å; V250-M308 HydrophobicContact CG2-CE 4.41Å
251	V	63.9	Low	60.6	Low	7 Å²	7	56.9 Å²	56.9	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-43.9	-177.9	170.6	0	0	0	0	111.3	L223 F226 V227 V247 D248 V254 T255	L223-V251 HydrophobicContact CD1-CG2 4.4Å; F226-V251 HydrophobicContact CB-CG2 4.31Å; V227-V251 HydrophobicContact CG2-CG1 4.19Å; V227-V251 HydrophobicContact CG2-CG2 4.1Å; V247-V251 HydrophobicContact CG1-CG2 4.43Å; V247-V251 WeakPolarHBondContact O-CB 3.37Å; V247-V251 VanDerWaalsContact O-CG2 3.28Å; V247-V251 WeakPolarHBondContact O-CG2 3.38Å; V247-V251 PolarHBondContact O-N 3.13Å; D248-V251 PolarHBondContact O-N 3.16Å; V251-V254 PolarHBondContact O-N 3.16Å; V251-T255 WeakPolarHBondContact O-CB 3.16Å; V251-T255 PolarHBondContact O-N 3.3Å; V251-T255 PolarHBondContact O-OG1 3.31Å
252	D	65.6	Low	60.2	Low	89 Å²	89	55.4 Å²	55.4	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-65.2	-41.6	179	-78.2	-6.4	0	0	0	111.9	D248 V250 T255 K256	D248-D252 WeakPolarHBondContact O-CB 3.22Å; D248-D252 PolarHBondContact O-N 2.69Å; V250-D252 PolarHBondContact O-N 3.42Å; D252-T255 PolarHBondContact O-N 3.33Å; D252-K256 WeakPolarHBondContact O-CB 3.23Å; D252-K256 WeakPolarHBondContact O-CG 3.41Å; D252-K256 PolarHBondContact O-N 2.82Å
253	S	60.1	Low	60	Low	40 Å²	40	58 Å²	58	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-44.1	176.6	-172.7	0	0	0	0	111.7	G249 V250 R257	G249-S253 VanDerWaalsContact O-CB 3.25Å; G249-S253 WeakPolarHBondContact O-CB 3.31Å; G249-S253 PolarHBondContact O-N 3.49Å; V250-S253 PolarHBondContact O-N 2.98Å; S253-R257 WeakPolarHBondContact O-CB 3.35Å; S253-R257 WeakPolarHBondContact O-CG 3.44Å; S253-R257 PolarHBondContact O-N 3.43Å; S253-R257 VanDerWaalsContact O-N 3.13Å
254	V	58.2	Low	59.8	Low	7 Å²	7	61.9 Å²	61.9	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-47.5	175.8	-169.3	0	0	0	0	110.5	L223 V250 V251 R257 R258 L281 M285	L223-V254 HydrophobicContact CD1-CB 3.73Å; L223-V254 HydrophobicContact CD1-CG1 3.87Å; L223-V254 HydrophobicContact CD1-CG2 3.82Å; L223-V254 HydrophobicContact CD2-CG1 3.86Å; L223-V254 HydrophobicContact CG-CG1 4.3Å; V250-V254 WeakPolarHBondContact O-CG2 3.45Å; V250-V254 PolarHBondContact O-N 3.5Å; V251-V254 PolarHBondContact O-N 3.16Å; V254-R257 PolarHBondContact O-N 2.9Å; V254-R258 HydrophobicContact CG1-CG 4.24Å; V254-R258 WeakPolarHBondContact O-CB 3.42Å; V254-R258 VanDerWaalsContact O-CG 3.28Å; V254-R258 WeakPolarHBondContact O-CG 3.46Å; V254-R258 PolarHBondContact O-N 3.4Å; V254-L281 HydrophobicContact CB-CD1 4.34Å; V254-L281 HydrophobicContact CB-CD2 4.3Å; V254-L281 HydrophobicContact CG1-CD2 4.11Å; V254-L281 HydrophobicContact CG2-CD1 4.02Å; V254-L281 HydrophobicContact CG2-CD2 3.66Å; V254-L281 HydrophobicContact CG2-CG 4.31Å; V254-M285 HydrophobicContact CG2-CE 3.38Å
255	T	60.8	Low	59.3	Low	57 Å²	57	62.3 Å²	62.3	35%	0.35	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-46.4	-175	-51.4	0	0	0	0	111.3	V251 D252 R257 R258 Q259	V251-T255 WeakPolarHBondContact O-CB 3.16Å; V251-T255 PolarHBondContact O-N 3.3Å; V251-T255 PolarHBondContact O-OG1 3.31Å; D252-T255 PolarHBondContact O-N 3.33Å; T255-R257 PolarHBondContact O-N 2.96Å; T255-R258 PolarHBondContact O-N 3.49Å; T255-Q259 WeakPolarHBondContact O-CG 3.49Å; T255-Q259 PolarHBondContact O-N 3.24Å
256	K	63.7	Low	58.8	Low	148 Å²	148	61.4 Å²	61.4	64%	0.643	36%	0.364	S	S	*	.	H	α-helix	trans	-61.4	-44.1	176.8	-75.7	179.3	-179.2	176	0	112.2	D252 R258 Q259 S260	D252-K256 WeakPolarHBondContact O-CB 3.23Å; D252-K256 WeakPolarHBondContact O-CG 3.41Å; D252-K256 PolarHBondContact O-N 2.82Å; K256-R258 VanDerWaalsContact C-N 3.35Å; K256-R258 PolarHBondContact O-N 3.34Å; K256-Q259 PolarHBondContact O-N 2.92Å; K256-S260 PolarHBondContact O-N 3.45Å
257	R	59.8	Low	58.3	Low	85 Å²	85	67.3 Å²	67.3	32%	0.321	40%	0.395	S	S	.	.	H	α-helix	trans	-68.5	-31.6	178.6	-74.9	-173.3	-177	-173.1	3	112.9	S253 V254 T255 S260 V261 T277 N280	S253-R257 WeakPolarHBondContact O-CB 3.35Å; S253-R257 WeakPolarHBondContact O-CG 3.44Å; S253-R257 PolarHBondContact O-N 3.43Å; S253-R257 VanDerWaalsContact O-N 3.13Å; V254-R257 PolarHBondContact O-N 2.9Å; T255-R257 PolarHBondContact O-N 2.96Å; R257-S260 PolarHBondContact O-N 3.28Å; R257-S260 PolarHBondContact O-OG 3.24Å; R257-V261 WeakPolarHBondContact O-CG2 3.4Å; R257-T277 HydrophobicContact CB-CG2 4.05Å; R257-T277 HydrophobicContact CG-CG2 4.4Å; R257-N280 PolarHBondContact NH1-O 3.43Å
258	R	58.6	Low	57.8	Low	57 Å²	57	71.6 Å²	71.6	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-70.7	-38.7	174.8	-71.4	-71.6	177	159	-1.6	112	V254 T255 K256 S260 V261 A262 D278	V254-R258 HydrophobicContact CG1-CG 4.24Å; V254-R258 WeakPolarHBondContact O-CB 3.42Å; V254-R258 VanDerWaalsContact O-CG 3.28Å; V254-R258 WeakPolarHBondContact O-CG 3.46Å; V254-R258 PolarHBondContact O-N 3.4Å; T255-R258 PolarHBondContact O-N 3.49Å; K256-R258 VanDerWaalsContact C-N 3.35Å; K256-R258 PolarHBondContact O-N 3.34Å; R258-S260 VanDerWaalsContact C-N 3.27Å; R258-S260 PolarHBondContact O-N 2.64Å; R258-V261 PolarHBondContact O-N 3.38Å; R258-A262 PolarHBondContact O-N 2.84Å; R258-D278 IonicContact CZ-OD1 3.42Å; R258-D278 IonicContact CZ-OD2 3.7Å; R258-D278 IonicContact NE-OD1 3.67Å; R258-D278 IonicContact NH2-OD1 3.96Å; R258-D278 PolarHBondContact NH2-OD1 2.98Å; R258-D278 IonicContact NH2-OD2 2.77Å; R258-D278 PolarHBondContact NH2-OD2 2.97Å
259	Q	62.5	Low	57.3	Low	130 Å²	130	71.3 Å²	71.3	61%	0.607	43%	0.428	S	S	*	.	H	α-helix	trans	-61.7	-34.8	174.3	-73.7	175.5	-10.9	0	0	112.5	T255 K256 V261	T255-Q259 WeakPolarHBondContact O-CG 3.49Å; T255-Q259 PolarHBondContact O-N 3.24Å; K256-Q259 PolarHBondContact O-N 2.92Å; Q259-V261 VanDerWaalsContact C-N 3.34Å; Q259-V261 PolarHBondContact O-N 3.42Å
260	S	58.7	Low	56.9	Low	83 Å²	83	70 Å²	70	58%	0.58	41%	0.413	S	S	*	.	H	α-helix	trans	-70.4	-26.1	178.9	60.3	0	0	0	0	114.3	K256 R257 R258	K256-S260 PolarHBondContact O-N 3.45Å; R257-S260 PolarHBondContact O-N 3.28Å; R257-S260 PolarHBondContact O-OG 3.24Å; R258-S260 VanDerWaalsContact C-N 3.27Å; R258-S260 PolarHBondContact O-N 2.64Å
261	V	54.8	Low	56.5	Low	11 Å²	11	72.3 Å²	72.3	7%	0.067	42%	0.424	C	S	.	.	H	α-helix	trans	-91.2	-19.3	-177.9	-173.1	0	0	0	0	112.6	R257 R258 Q259 N263 L274	R257-V261 WeakPolarHBondContact O-CG2 3.4Å; R258-V261 PolarHBondContact O-N 3.38Å; Q259-V261 VanDerWaalsContact C-N 3.34Å; Q259-V261 PolarHBondContact O-N 3.42Å; V261-N263 PolarHBondContact O-N 3.32Å; V261-L274 HydrophobicContact CB-CD2 3.84Å; V261-L274 HydrophobicContact CB-CG 4.4Å; V261-L274 HydrophobicContact CG1-CD1 4.5Å; V261-L274 HydrophobicContact CG1-CD2 3.66Å; V261-L274 HydrophobicContact CG1-CG 3.65Å; V261-L274 HydrophobicContact CG2-CD2 4.19Å
262	A	53.5	Low	56.1	Low	79 Å²	79	78.7 Å²	78.7	65%	0.653	45%	0.454	S	S	*	.	S	Bend	trans	-68.4	-12.1	-178.8	0	0	0	0	0	114.6	R258 G264	R258-A262 PolarHBondContact O-N 2.84Å; A262-G264 PolarHBondContact O-N 2.92Å
263	N	51.7	Low	55.8	Low	136 Å²	136	78.5 Å²	78.5	73%	0.727	45%	0.45	S	S	*	.	S	Bend	trans	-96.8	95.2	-174.8	-70.2	-18.5	0	0	0	112.2	V261	V261-N263 PolarHBondContact O-N 3.32Å
264	G	51.3	Low	55.8	Low	82 Å²	82	78 Å²	78	85%	0.845	44%	0.443	S	S	*	.	S	Bend	trans	87.8	13.7	147.9	0	0	0	0	0	119	A262	A262-G264 PolarHBondContact O-N 2.92Å
265	L	51	Low	55.8	Low	86 Å²	86	80.3 Å²	80.3	45%	0.45	45%	0.454	S	S	.	.			trans	-98.7	146.3	176.4	-75.6	162.8	0	0	0	113.2	A270	L265-A270 HydrophobicContact CB-CB 4.17Å
266	P	52.1	Low	55.9	Low	86 Å²	86	83.7 Å²	83.7	56%	0.558	47%	0.466	S	S	*	.			trans	-57	144.6	171.5	-19.7	29.6	0	0	0	111.7	S268 A269 A270	P266-S268 VanDerWaalsContact C-N 3.29Å; P266-S268 PolarHBondContact O-N 3.45Å; P266-S268 VanDerWaalsContact O-N 3.09Å; P266-A269 PolarHBondContact O-N 2.9Å; P266-A270 PolarHBondContact O-N 3.01Å
267	L	49.5	Very low	55.9	Low	140 Å²	140	78 Å²	78	73%	0.733	44%	0.443	S	S	*	.	H	α-helix	trans	-50.6	-42	-170	-165.8	77.5	0	0	0	113.9	M271	L267-M271 HydrophobicContact CG-SD 4.29Å; L267-M271 WeakPolarHBondContact O-CB 3.48Å; L267-M271 WeakPolarHBondContact O-CG 3.29Å; L267-M271 PolarHBondContact O-N 3.05Å
268	S	49.6	Very low	56	Low	89 Å²	89	74.5 Å²	74.5	62%	0.622	43%	0.431	S	S	*	.	H	α-helix	trans	-67.9	-42.4	178.7	57.9	0	0	0	0	113.1	P266 M271 Q272	P266-S268 VanDerWaalsContact C-N 3.29Å; P266-S268 PolarHBondContact O-N 3.45Å; P266-S268 VanDerWaalsContact O-N 3.09Å; S268-M271 PolarHBondContact O-N 2.86Å; S268-Q272 PolarHBondContact O-N 3.35Å
269	A	54.9	Low	56.3	Low	35 Å²	35	74.4 Å²	74.4	29%	0.289	43%	0.433	S	S	.	.	H	α-helix	trans	-68.1	-41.7	176	0	0	0	0	0	111.1	P266 M271 Q272 Q273	P266-A269 PolarHBondContact O-N 2.9Å; A269-M271 VanDerWaalsContact C-N 3.33Å; A269-M271 PolarHBondContact O-N 3.38Å; A269-Q272 PolarHBondContact O-N 3.12Å; A269-Q273 VanDerWaalsContact O-CB 3.26Å; A269-Q273 WeakPolarHBondContact O-CB 3.45Å; A269-Q273 PolarHBondContact O-N 2.73Å
270	A	55.2	Low	56.6	Low	15 Å²	15	71.9 Å²	71.9	12%	0.124	42%	0.424	C	S	.	.	H	α-helix	trans	-60.6	-42.2	173.1	0	0	0	0	0	111.1	L265 P266 Q273 L274	L265-A270 HydrophobicContact CB-CB 4.17Å; P266-A270 PolarHBondContact O-N 3.01Å; A270-Q273 PolarHBondContact O-N 3.19Å; A270-L274 VanDerWaalsContact O-CB 3.22Å; A270-L274 WeakPolarHBondContact O-CB 3.25Å; A270-L274 WeakPolarHBondContact O-CG 3.25Å; A270-L274 PolarHBondContact O-N 3.43Å
271	M	51.3	Low	56.9	Low	56 Å²	56	68.3 Å²	68.3	28%	0.276	40%	0.398	S	S	.	.	H	α-helix	trans	-66.4	-44.7	177.6	-75.7	179	83.1	0	0	113	N212 L216 L267 S268 A269 L274 Q275	N212-M271 HydrophobicContact CB-CE 4.39Å; L216-M271 HydrophobicContact CD1-CE 3.7Å; L216-M271 HydrophobicContact CD1-CG 4.21Å; L267-M271 HydrophobicContact CG-SD 4.29Å; L267-M271 WeakPolarHBondContact O-CB 3.48Å; L267-M271 WeakPolarHBondContact O-CG 3.29Å; L267-M271 PolarHBondContact O-N 3.05Å; S268-M271 PolarHBondContact O-N 2.86Å; A269-M271 VanDerWaalsContact C-N 3.33Å; A269-M271 PolarHBondContact O-N 3.38Å; M271-L274 PolarHBondContact O-N 3.36Å; M271-Q275 WeakPolarHBondContact O-CB 3.3Å; M271-Q275 PolarHBondContact O-N 2.68Å
272	Q	56.1	Low	57.7	Low	142 Å²	142	68.3 Å²	68.3	66%	0.664	40%	0.398	S	S	*	.	H	α-helix	trans	-63.3	-43.8	175.2	-78.3	-177	-13.9	0	0	111.6	S268 A269 Q275 Q276	S268-Q272 PolarHBondContact O-N 3.35Å; A269-Q272 PolarHBondContact O-N 3.12Å; Q272-Q275 PolarHBondContact O-N 2.88Å; Q272-Q276 PolarHBondContact O-N 2.83Å
273	Q	59	Low	58.8	Low	84 Å²	84	66.4 Å²	66.4	39%	0.393	38%	0.375	S	S	.	.	H	α-helix	trans	-64.5	-44.4	177.4	-159.7	-178.4	20.2	0	0	110.5	A269 A270 Q275 Q276 T277	A269-Q273 VanDerWaalsContact O-CB 3.26Å; A269-Q273 WeakPolarHBondContact O-CB 3.45Å; A269-Q273 PolarHBondContact O-N 2.73Å; A270-Q273 PolarHBondContact O-N 3.19Å; Q273-Q275 VanDerWaalsContact C-N 3.33Å; Q273-Q275 PolarHBondContact O-N 3.08Å; Q273-Q276 PolarHBondContact O-N 2.99Å; Q273-T277 WeakPolarHBondContact O-CB 3.49Å; Q273-T277 PolarHBondContact O-N 3.26Å; Q273-T277 PolarHBondContact O-OG1 3.44Å
274	L	59.5	Low	59.7	Low	29 Å²	29	61.8 Å²	61.8	15%	0.152	35%	0.353	C	S	.	.	H	α-helix	trans	-56.5	-44.9	174.3	-78.2	169.5	0	0	0	111.8	L216 V261 A270 M271 T277 D278	L216-L274 HydrophobicContact CD2-CB 3.71Å; L216-L274 HydrophobicContact CD2-CD1 3.88Å; L216-L274 HydrophobicContact CD2-CG 4.34Å; V261-L274 HydrophobicContact CB-CD2 3.84Å; V261-L274 HydrophobicContact CB-CG 4.4Å; V261-L274 HydrophobicContact CG1-CD1 4.5Å; V261-L274 HydrophobicContact CG1-CD2 3.66Å; V261-L274 HydrophobicContact CG1-CG 3.65Å; V261-L274 HydrophobicContact CG2-CD2 4.19Å; A270-L274 VanDerWaalsContact O-CB 3.22Å; A270-L274 WeakPolarHBondContact O-CB 3.25Å; A270-L274 WeakPolarHBondContact O-CG 3.25Å; A270-L274 PolarHBondContact O-N 3.43Å; M271-L274 PolarHBondContact O-N 3.36Å; L274-T277 WeakPolarHBondContact O-CB 3.3Å; L274-T277 PolarHBondContact O-N 2.77Å; L274-D278 WeakPolarHBondContact O-CB 3.36Å; L274-D278 VanDerWaalsContact O-CG 3.3Å; L274-D278 PolarHBondContact O-N 2.78Å
275	Q	57.7	Low	60.6	Low	57 Å²	57	58.3 Å²	58.3	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-46.3	178.7	-175.4	175.3	-0.8	0	0	112.1	M271 Q272 Q273 T277 D278 E279	M271-Q275 WeakPolarHBondContact O-CB 3.3Å; M271-Q275 PolarHBondContact O-N 2.68Å; Q272-Q275 PolarHBondContact O-N 2.88Å; Q273-Q275 VanDerWaalsContact C-N 3.33Å; Q273-Q275 PolarHBondContact O-N 3.08Å; Q275-T277 VanDerWaalsContact C-N 3.31Å; Q275-T277 PolarHBondContact O-N 3.27Å; Q275-D278 PolarHBondContact O-N 3.46Å; Q275-E279 PolarHBondContact O-N 3.41Å; Q275-E279 VanDerWaalsContact O-N 3.14Å
276	Q	62.7	Low	61.9	Low	127 Å²	127	54.2 Å²	54.2	59%	0.593	29%	0.293	S	S	*	.	H	α-helix	trans	-67.9	-33.4	176.4	-162.4	172.4	15.9	0	0	111.8	Q272 Q273 N280	Q272-Q276 PolarHBondContact O-N 2.83Å; Q273-Q276 PolarHBondContact O-N 2.99Å; Q276-N280 WeakPolarHBondContact O-CB 3.38Å; Q276-N280 PolarHBondContact O-N 2.76Å; Q276-N280 PolarHBondContact O-ND2 3.27Å; Q276-N280 VanDerWaalsContact O-ND2 3.08Å
277	T	65.1	Low	63.1	Low	28 Å²	28	52.7 Å²	52.7	17%	0.172	28%	0.283	C	S	.	.	H	α-helix	trans	-68.8	-39.9	177.4	-46.6	0	0	0	0	111.4	R257 Q273 L274 Q275 L281	R257-T277 HydrophobicContact CB-CG2 4.05Å; R257-T277 HydrophobicContact CG-CG2 4.4Å; Q273-T277 WeakPolarHBondContact O-CB 3.49Å; Q273-T277 PolarHBondContact O-N 3.26Å; Q273-T277 PolarHBondContact O-OG1 3.44Å; L274-T277 WeakPolarHBondContact O-CB 3.3Å; L274-T277 PolarHBondContact O-N 2.77Å; Q275-T277 VanDerWaalsContact C-N 3.31Å; Q275-T277 PolarHBondContact O-N 3.27Å; T277-L281 VanDerWaalsContact O-CB 3.29Å; T277-L281 WeakPolarHBondContact O-CB 3.44Å; T277-L281 PolarHBondContact O-N 3.39Å
278	D	62.3	Low	64.2	Low	12 Å²	12	49.9 Å²	49.9	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-42	179.1	-81.2	-17.3	0	0	0	112.3	R258 L274 Q275 L281 L282	R258-D278 IonicContact CZ-OD1 3.42Å; R258-D278 IonicContact CZ-OD2 3.7Å; R258-D278 IonicContact NE-OD1 3.67Å; R258-D278 IonicContact NH2-OD1 3.96Å; R258-D278 PolarHBondContact NH2-OD1 2.98Å; R258-D278 IonicContact NH2-OD2 2.77Å; R258-D278 PolarHBondContact NH2-OD2 2.97Å; L274-D278 WeakPolarHBondContact O-CB 3.36Å; L274-D278 VanDerWaalsContact O-CG 3.3Å; L274-D278 PolarHBondContact O-N 2.78Å; Q275-D278 PolarHBondContact O-N 3.46Å; D278-L281 WeakPolarHBondContact O-CB 3.34Å; D278-L281 PolarHBondContact O-N 3Å; D278-L282 WeakPolarHBondContact O-CG 3.16Å; D278-L282 PolarHBondContact O-N 3.35Å
279	E	64.1	Low	65.2	Low	56 Å²	56	45.7 Å²	45.7	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-46.9	175	-167.2	-165.3	126.3	0	0	111.4	Q275 L281 L282 K283 F316	Q275-E279 PolarHBondContact O-N 3.41Å; Q275-E279 VanDerWaalsContact O-N 3.14Å; E279-L281 PolarHBondContact O-N 3.15Å; E279-L282 PolarHBondContact O-N 3.38Å; E279-K283 WeakPolarHBondContact O-CG 3.43Å; E279-K283 PolarHBondContact O-N 3.29Å; E279-K283 IonicContact OE1-NZ 2.72Å; E279-K283 PolarHBondContact OE1-NZ 3.08Å; E279-F316 HydrophobicContact CG-CD2 4.44Å; E279-F316 HydrophobicContact CG-CE2 4Å
280	N	68.5	Low	66.1	Low	77 Å²	77	44.4 Å²	44.4	41%	0.412	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-30.4	175.6	-76.5	-32.6	0	0	0	112.7	R257 Q276 S284	R257-N280 PolarHBondContact NH1-O 3.43Å; Q276-N280 WeakPolarHBondContact O-CB 3.38Å; Q276-N280 PolarHBondContact O-N 2.76Å; Q276-N280 PolarHBondContact O-ND2 3.27Å; Q276-N280 VanDerWaalsContact O-ND2 3.08Å; N280-S284 WeakPolarHBondContact O-CB 3.33Å; N280-S284 PolarHBondContact O-N 3.29Å; N280-S284 VanDerWaalsContact O-N 3.08Å
281	L	66.1	Low	66.9	Low	7 Å²	7	46 Å²	46	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-69.5	-49.3	174.8	-175.7	97.8	0	0	0	110.2	V254 T277 D278 E279 K283 S284 M285	V254-L281 HydrophobicContact CB-CD1 4.34Å; V254-L281 HydrophobicContact CB-CD2 4.3Å; V254-L281 HydrophobicContact CG1-CD2 4.11Å; V254-L281 HydrophobicContact CG2-CD1 4.02Å; V254-L281 HydrophobicContact CG2-CD2 3.66Å; V254-L281 HydrophobicContact CG2-CG 4.31Å; T277-L281 VanDerWaalsContact O-CB 3.29Å; T277-L281 WeakPolarHBondContact O-CB 3.44Å; T277-L281 PolarHBondContact O-N 3.39Å; D278-L281 WeakPolarHBondContact O-CB 3.34Å; D278-L281 PolarHBondContact O-N 3Å; E279-L281 PolarHBondContact O-N 3.15Å; L281-K283 PolarHBondContact O-N 3.42Å; L281-S284 WeakPolarHBondContact O-CB 3.37Å; L281-S284 PolarHBondContact O-N 3.13Å; L281-M285 HydrophobicContact CD1-CE 4.4Å; L281-M285 HydrophobicContact CD2-CE 3.68Å; L281-M285 HydrophobicContact CG-CE 3.86Å; L281-M285 WeakPolarHBondContact O-CG 3.44Å; L281-M285 PolarHBondContact O-N 3.27Å
282	L	70.3	Confident	67.6	Low	11 Å²	11	45.7 Å²	45.7	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-42.8	176.7	-70.6	170.5	0	0	0	111.8	I222 D278 E279 S284 M285 I286 F316	I222-L282 HydrophobicContact CD1-CD2 4.23Å; D278-L282 WeakPolarHBondContact O-CG 3.16Å; D278-L282 PolarHBondContact O-N 3.35Å; E279-L282 PolarHBondContact O-N 3.38Å; L282-S284 PolarHBondContact O-N 3.19Å; L282-M285 PolarHBondContact O-N 3.02Å; L282-I286 VanDerWaalsContact O-CG1 3.31Å; L282-I286 WeakPolarHBondContact O-CG1 3.27Å; L282-I286 PolarHBondContact O-N 3.4Å; L282-F316 HydrophobicContact CB-CB 4.3Å; L282-F316 HydrophobicContact CB-CD2 4.22Å; L282-F316 HydrophobicContact CD1-CB 4.4Å
283	K	76.1	Confident	68.1	Low	40 Å²	40	40.4 Å²	40.4	17%	0.174	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-48.3	172.9	-76.2	179.2	164.3	153.4	0	111.5	E279 L281 M285 I286 V287 F316 D324 W327	E279-K283 WeakPolarHBondContact O-CG 3.43Å; E279-K283 PolarHBondContact O-N 3.29Å; E279-K283 IonicContact OE1-NZ 2.72Å; E279-K283 PolarHBondContact OE1-NZ 3.08Å; L281-K283 PolarHBondContact O-N 3.42Å; K283-M285 PolarHBondContact O-N 3.48Å; K283-I286 PolarHBondContact O-N 2.63Å; K283-V287 WeakPolarHBondContact O-CG2 3.21Å; K283-V287 PolarHBondContact O-N 3.18Å; K283-F316 HydrophobicContact CD-CE2 4.13Å; K283-F316 HydrophobicContact CD-CZ 4.49Å; K283-F316 HydrophobicContact CG-CD2 4.22Å; K283-F316 HydrophobicContact CG-CE2 3.54Å; K283-F316 HydrophobicContact CG-CZ 4.05Å; K283-D324 WeakPolarHBondContact CE-OD1 3.32Å; K283-D324 IonicContact NZ-OD1 2.66Å; K283-D324 PolarHBondContact NZ-OD1 2.82Å; K283-W327 HydrophobicContact CB-CH2 3.69Å; K283-W327 HydrophobicContact CB-CZ2 3.86Å; K283-W327 HydrophobicContact CB-CZ3 4.28Å; K283-W327 HydrophobicContact CD-CD2 4.46Å; K283-W327 HydrophobicContact CD-CE3 4.48Å; K283-W327 HydrophobicContact CD-CZ2 4.45Å; K283-W327 HydrophobicContact CG-CD2 4.45Å; K283-W327 HydrophobicContact CG-CE3 4.1Å; K283-W327 HydrophobicContact CG-CH2 3.64Å; K283-W327 HydrophobicContact CG-CZ2 3.94Å; K283-W327 HydrophobicContact CG-CZ3 3.71Å
284	S	71.8	Confident	68.4	Low	38 Å²	38	39.5 Å²	39.5	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-39.4	176.9	-178.7	0	0	0	0	112.5	N280 L281 L282 V287 N288	N280-S284 WeakPolarHBondContact O-CB 3.33Å; N280-S284 PolarHBondContact O-N 3.29Å; N280-S284 VanDerWaalsContact O-N 3.08Å; L281-S284 WeakPolarHBondContact O-CB 3.37Å; L281-S284 PolarHBondContact O-N 3.13Å; L282-S284 PolarHBondContact O-N 3.19Å; S284-V287 PolarHBondContact O-N 3.46Å; S284-N288 WeakPolarHBondContact O-CB 2.97Å; S284-N288 PolarHBondContact O-N 3.36Å; S284-N288 PolarHBondContact O-ND2 3.27Å; S284-N288 PolarHBondContact O-OD1 3.4Å
285	M	70.5	Confident	68.6	Low	9 Å²	9	43.9 Å²	43.9	4%	0.044	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-46.6	176.1	-71.7	-174.9	178	0	0	111.6	F226 V250 V254 L281 L282 K283 V287 N288 I289	F226-M285 HydrophobicContact CE2-SD 4.28Å; V250-M285 HydrophobicContact CB-CE 4.06Å; V250-M285 HydrophobicContact CG1-CE 3.19Å; V250-M285 HydrophobicContact CG1-SD 3.9Å; V250-M285 HydrophobicContact CG2-CE 4.26Å; V250-M285 HydrophobicContact CG2-CG 4.15Å; V250-M285 HydrophobicContact CG2-SD 4.43Å; V254-M285 HydrophobicContact CG2-CE 3.38Å; L281-M285 HydrophobicContact CD1-CE 4.4Å; L281-M285 HydrophobicContact CD2-CE 3.68Å; L281-M285 HydrophobicContact CG-CE 3.86Å; L281-M285 WeakPolarHBondContact O-CG 3.44Å; L281-M285 PolarHBondContact O-N 3.27Å; L282-M285 PolarHBondContact O-N 3.02Å; K283-M285 PolarHBondContact O-N 3.48Å; M285-V287 VanDerWaalsContact C-N 3.35Å; M285-V287 PolarHBondContact O-N 2.96Å; M285-N288 PolarHBondContact O-N 3.4Å; M285-I289 WeakPolarHBondContact O-CB 3.38Å; M285-I289 WeakPolarHBondContact O-CD1 3.43Å; M285-I289 WeakPolarHBondContact O-CG1 3.13Å; M285-I289 PolarHBondContact O-N 3.14Å
286	I	77.9	Confident	68.5	Low	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-48.6	177.5	-71.8	167.6	0	0	0	110.1	L282 K283 I289 I290 F309 A312 V313 F316 W327 F328	L282-I286 VanDerWaalsContact O-CG1 3.31Å; L282-I286 WeakPolarHBondContact O-CG1 3.27Å; L282-I286 PolarHBondContact O-N 3.4Å; K283-I286 PolarHBondContact O-N 2.63Å; I286-I289 PolarHBondContact O-N 2.95Å; I286-I290 HydrophobicContact CG2-CD1 3.74Å; I286-I290 WeakPolarHBondContact O-CB 3.01Å; I286-I290 VanDerWaalsContact O-CG1 3.24Å; I286-I290 WeakPolarHBondContact O-CG1 3.48Å; I286-I290 PolarHBondContact O-N 3.32Å; I286-F309 HydrophobicContact CG2-CE2 4.13Å; I286-A312 HydrophobicContact CG1-CB 4.19Å; I286-V313 HydrophobicContact CD1-CG2 4.23Å; I286-V313 HydrophobicContact CG1-CG2 4.2Å; I286-F316 HydrophobicContact CD1-CB 3.77Å; I286-F316 HydrophobicContact CD1-CD1 4.02Å; I286-F316 HydrophobicContact CD1-CG 3.84Å; I286-W327 HydrophobicContact CB-CH2 4.27Å; I286-W327 HydrophobicContact CD1-CZ3 4.37Å; I286-W327 HydrophobicContact CG2-CH2 4.09Å; I286-W327 HydrophobicContact CG2-CZ3 4.43Å; I286-F328 HydrophobicContact CD1-CD2 4.23Å; I286-F328 HydrophobicContact CD1-CE2 4.38Å; I286-F328 HydrophobicContact CG2-CD2 4.08Å; I286-F328 HydrophobicContact CG2-CE2 4.03Å
287	V	78	Confident	67.9	Low	55 Å²	55	45.7 Å²	45.7	33%	0.333	25%	0.251	S	S	.	.	H	α-helix	trans	-62.4	-45.1	179.1	171.7	0	0	0	0	111.8	K283 S284 M285 I290 S291 W327	K283-V287 WeakPolarHBondContact O-CG2 3.21Å; K283-V287 PolarHBondContact O-N 3.18Å; S284-V287 PolarHBondContact O-N 3.46Å; M285-V287 VanDerWaalsContact C-N 3.35Å; M285-V287 PolarHBondContact O-N 2.96Å; V287-I290 PolarHBondContact O-N 3.42Å; V287-S291 WeakPolarHBondContact O-CB 3.42Å; V287-S291 PolarHBondContact O-N 3.07Å; V287-W327 HydrophobicContact CG2-CH2 4.17Å; V287-W327 HydrophobicContact CG2-CZ2 3.71Å
288	N	71.1	Confident	66.9	Low	80 Å²	80	51.3 Å²	51.3	43%	0.428	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-46	179	-69.9	-9.1	0	0	0	111	S284 M285 I290 S291 D292	S284-N288 WeakPolarHBondContact O-CB 2.97Å; S284-N288 PolarHBondContact O-N 3.36Å; S284-N288 PolarHBondContact O-ND2 3.27Å; S284-N288 PolarHBondContact O-OD1 3.4Å; M285-N288 PolarHBondContact O-N 3.4Å; N288-I290 VanDerWaalsContact C-N 3.35Å; N288-I290 PolarHBondContact O-N 2.8Å; N288-S291 CarbonylContact O-C 3.57Å; N288-S291 WeakPolarHBondContact O-CB 3.35Å; N288-S291 PolarHBondContact O-N 3.33Å; N288-S291 VanDerWaalsContact O-N 3.17Å; N288-D292 WeakPolarHBondContact O-CB 3.47Å; N288-D292 PolarHBondContact O-N 2.82Å; N288-D292 VanDerWaalsContact O-OD2 3.11Å
289	I	71	Confident	66.1	Low	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-43.8	177.9	-67.2	165.2	0	0	0	110.8	V246 M285 I286 D292 F293 M308 F309 A312	V246-I289 HydrophobicContact CG1-CG1 4.43Å; M285-I289 WeakPolarHBondContact O-CB 3.38Å; M285-I289 WeakPolarHBondContact O-CD1 3.43Å; M285-I289 WeakPolarHBondContact O-CG1 3.13Å; M285-I289 PolarHBondContact O-N 3.14Å; I286-I289 PolarHBondContact O-N 2.95Å; I289-D292 PolarHBondContact O-N 3.24Å; I289-F293 HydrophobicContact CG2-CD2 3.59Å; I289-F293 HydrophobicContact CG2-CE2 3.44Å; I289-F293 VanDerWaalsContact CG2-CE2 3.44Å; I289-F293 WeakPolarHBondContact O-CD2 3.49Å; I289-F293 PolarHBondContact O-N 3.17Å; I289-M308 HydrophobicContact CD1-CB 4.42Å; I289-F309 HydrophobicContact CB-CD2 4.05Å; I289-F309 HydrophobicContact CD1-CD2 4.4Å; I289-F309 HydrophobicContact CG2-CB 3.92Å; I289-F309 HydrophobicContact CG2-CD2 3.51Å; I289-F309 HydrophobicContact CG2-CE2 4.36Å; I289-F309 HydrophobicContact CG2-CG 4Å; I289-A312 HydrophobicContact CD1-CB 4.47Å
290	I	74.9	Confident	65.1	Low	8 Å²	8	66.7 Å²	66.7	4%	0.041	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-46.6	175.1	-69.6	167.8	0	0	0	110.3	I286 V287 N288 D292 F293 T294 F309 K331 A335 L338	I286-I290 HydrophobicContact CG2-CD1 3.74Å; I286-I290 WeakPolarHBondContact O-CB 3.01Å; I286-I290 VanDerWaalsContact O-CG1 3.24Å; I286-I290 WeakPolarHBondContact O-CG1 3.48Å; I286-I290 PolarHBondContact O-N 3.32Å; V287-I290 PolarHBondContact O-N 3.42Å; N288-I290 VanDerWaalsContact C-N 3.35Å; N288-I290 PolarHBondContact O-N 2.8Å; I290-D292 VanDerWaalsContact C-N 3.31Å; I290-D292 PolarHBondContact O-N 2.88Å; I290-F293 PolarHBondContact O-N 3.09Å; I290-T294 PolarHBondContact O-N 3.33Å; I290-T294 PolarHBondContact O-OG1 3.32Å; I290-F309 HydrophobicContact CD1-CE2 4.25Å; I290-F309 HydrophobicContact CD1-CZ 4.31Å; I290-F309 HydrophobicContact CG1-CE2 3.85Å; I290-F309 HydrophobicContact CG1-CZ 4.06Å; I290-K331 HydrophobicContact CD1-CB 4.28Å; I290-A335 HydrophobicContact CG2-CB 4.02Å; I290-L338 HydrophobicContact CG1-CD1 4.3Å; I290-L338 HydrophobicContact CG2-CD1 4.4Å
291	S	71.5	Confident	64.1	Low	48 Å²	48	66.6 Å²	66.6	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-37.8	177.5	-173	0	0	0	0	112.7	V287 N288 T294 N295	V287-S291 WeakPolarHBondContact O-CB 3.42Å; V287-S291 PolarHBondContact O-N 3.07Å; N288-S291 CarbonylContact O-C 3.57Å; N288-S291 WeakPolarHBondContact O-CB 3.35Å; N288-S291 PolarHBondContact O-N 3.33Å; N288-S291 VanDerWaalsContact O-N 3.17Å; S291-T294 VanDerWaalsContact CA-OG1 3.31Å; S291-T294 WeakPolarHBondContact CA-OG1 3.49Å; S291-T294 PolarHBondContact O-N 2.89Å; S291-T294 PolarHBondContact O-OG1 3.43Å; S291-N295 VanDerWaalsContact O-CB 3.27Å; S291-N295 WeakPolarHBondContact O-CB 3.45Å; S291-N295 PolarHBondContact O-N 2.83Å; S291-N295 PolarHBondContact O-ND2 3.45Å; S291-N295 VanDerWaalsContact O-ND2 3.13Å; S291-N295 PolarHBondContact OG-ND2 3.3Å
292	D	65.5	Low	63.5	Low	51 Å²	51	68.7 Å²	68.7	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-70.9	-36	178.6	-68.1	-34.4	0	0	0	111	V246 N288 I289 I290 G296	V246-D292 HydrophobicContact CG2-CB 4.44Å; V246-D292 WeakPolarHBondContact CG2-OD2 3.25Å; N288-D292 WeakPolarHBondContact O-CB 3.47Å; N288-D292 PolarHBondContact O-N 2.82Å; N288-D292 VanDerWaalsContact O-OD2 3.11Å; I289-D292 PolarHBondContact O-N 3.24Å; I290-D292 VanDerWaalsContact C-N 3.31Å; I290-D292 PolarHBondContact O-N 2.88Å; D292-G296 PolarHBondContact O-N 3.12Å
293	F	67	Low	62.7	Low	30 Å²	30	73 Å²	73	13%	0.132	39%	0.389	C	S	.	.	H	α-helix	trans	-67.9	-38	172.4	-84.4	-62.9	0	0	0	113.1	I289 I290 P301 L305 F309 L338	I289-F293 HydrophobicContact CG2-CD2 3.59Å; I289-F293 HydrophobicContact CG2-CE2 3.44Å; I289-F293 VanDerWaalsContact CG2-CE2 3.44Å; I289-F293 WeakPolarHBondContact O-CD2 3.49Å; I289-F293 PolarHBondContact O-N 3.17Å; I290-F293 PolarHBondContact O-N 3.09Å; F293-P301 HydrophobicContact CD1-CB 4.32Å; F293-P301 HydrophobicContact CE1-CB 3.49Å; F293-P301 VanDerWaalsContact CE1-CB 3.49Å; F293-P301 HydrophobicContact CZ-CB 4.23Å; F293-L305 HydrophobicContact CE1-CB 4.11Å; F293-L305 HydrophobicContact CE1-CD1 4.45Å; F293-L305 HydrophobicContact CE2-CB 4.17Å; F293-L305 HydrophobicContact CZ-CB 3.51Å; F293-F309 HydrophobicContact CE2-CB 4.49Å; F293-L338 HydrophobicContact CB-CD1 3.66Å; F293-L338 HydrophobicContact CB-CD2 3.74Å; F293-L338 HydrophobicContact CB-CG 4.27Å; F293-L338 HydrophobicContact CD1-CD2 3.66Å; F293-L338 HydrophobicContact CD2-CD1 3.99Å; F293-L338 HydrophobicContact CD2-CD2 3.44Å; F293-L338 VanDerWaalsContact CD2-CD2 3.44Å; F293-L338 HydrophobicContact CD2-CG 4.39Å; F293-L338 HydrophobicContact CE1-CD2 4.06Å; F293-L338 HydrophobicContact CE2-CD2 3.85Å; F293-L338 HydrophobicContact CG-CD1 4.04Å; F293-L338 HydrophobicContact CG-CD2 3.34Å; F293-L338 HydrophobicContact CG-CG 4.33Å; F293-L338 HydrophobicContact CZ-CD2 4.13Å
294	T	65.1	Low	61.9	Low	66 Å²	66	75.1 Å²	75.1	41%	0.405	40%	0.399	S	S	.	.	H	α-helix	trans	-73.8	-35.4	177.3	48.7	0	0	0	0	112.3	I290 S291 A335 W337	I290-T294 PolarHBondContact O-N 3.33Å; I290-T294 PolarHBondContact O-OG1 3.32Å; S291-T294 VanDerWaalsContact CA-OG1 3.31Å; S291-T294 WeakPolarHBondContact CA-OG1 3.49Å; S291-T294 PolarHBondContact O-N 2.89Å; S291-T294 PolarHBondContact O-OG1 3.43Å; T294-A335 HydrophobicContact CG2-CB 4.06Å; T294-W337 HydrophobicContact CG2-CH2 4.3Å; T294-W337 HydrophobicContact CG2-CZ2 3.96Å
295	N	62.7	Low	61.4	Low	120 Å²	120	73.7 Å²	73.7	64%	0.642	39%	0.389	S	S	*	.	H	α-helix	trans	-80.3	-24.3	178.6	-69.3	-26.9	0	0	0	113.6	S291 Q297	S291-N295 VanDerWaalsContact O-CB 3.27Å; S291-N295 WeakPolarHBondContact O-CB 3.45Å; S291-N295 PolarHBondContact O-N 2.83Å; S291-N295 PolarHBondContact O-ND2 3.45Å; S291-N295 VanDerWaalsContact O-ND2 3.13Å; S291-N295 PolarHBondContact OG-ND2 3.3Å; N295-Q297 PolarHBondContact O-N 3.47Å; N295-Q297 VanDerWaalsContact O-N 3.14Å
296	G	55.5	Low	61	Low	28 Å²	28	75.3 Å²	75.3	29%	0.289	40%	0.397	S	S	.	.			trans	-69.4	106.1	179.3	0	0	0	0	0	112.2	D292 N298	D292-G296 PolarHBondContact O-N 3.12Å; G296-N298 PolarHBondContact O-N 2.89Å
297	Q	50.1	Low	60.3	Low	194 Å²	194	78.9 Å²	78.9	91%	0.907	42%	0.422	S	S	*	.	S	Bend	trans	-59	-11.9	174.6	-71.6	-170.4	-10.4	0	0	114.3	N295 K299	N295-Q297 PolarHBondContact O-N 3.47Å; N295-Q297 VanDerWaalsContact O-N 3.14Å; Q297-K299 PolarHBondContact O-N 2.93Å
298	N	45.4	Very low	59.5	Low	146 Å²	146	76.6 Å²	76.6	78%	0.781	41%	0.407	S	S	*	.			trans	-87.8	100.3	177.4	-91	-31.8	0	0	0	111.7	G296 K300	G296-N298 PolarHBondContact O-N 2.89Å; N298-K300 PolarHBondContact O-N 3.39Å
299	K	45.9	Very low	59.5	Low	208 Å²	208	72.8 Å²	72.8	90%	0.904	39%	0.387	S	S	*	.			trans	-59.5	3.8	175	-66.5	-173.8	176.8	-176.3	0	115.9	Q297 P301	Q297-K299 PolarHBondContact O-N 2.93Å; K299-P301 WeakPolarHBondContact O-CD 3.26Å
300	K	42	Very low	59.4	Low	183 Å²	183	76.7 Å²	76.7	80%	0.796	40%	0.404	S	S	*	.	S	Bend	trans	-100.9	95.3	172.6	-75.8	-175.2	179.7	176.5	0	108.5	N298 I302	N298-K300 PolarHBondContact O-N 3.39Å; K300-I302 PolarHBondContact O-N 3.14Å; K300-I302 VanDerWaalsContact O-N 3.1Å
301	P	47.1	Very low	58.8	Low	75 Å²	75	78.8 Å²	78.8	49%	0.487	42%	0.417	S	S	.	.			trans	-57.9	119.9	172.3	26.3	-35.6	0	0	0	108.3	F293 K299	F293-P301 HydrophobicContact CD1-CB 4.32Å; F293-P301 HydrophobicContact CE1-CB 3.49Å; F293-P301 VanDerWaalsContact CE1-CB 3.49Å; F293-P301 HydrophobicContact CZ-CB 4.23Å; K299-P301 WeakPolarHBondContact O-CD 3.26Å
302	I	53.6	Low	58.6	Low	51 Å²	51	76.5 Å²	76.5	26%	0.262	40%	0.401	S	S	.	.			trans	-61	128.9	176.6	-56.8	-179.2	0	0	0	106.5	D240 K300 H304 L305 N306	D240-I302 WeakPolarHBondContact OD2-CD1 3.39Å; K300-I302 PolarHBondContact O-N 3.14Å; K300-I302 VanDerWaalsContact O-N 3.1Å; I302-H304 HydrophobicContact CG2-CB 4.09Å; I302-H304 PolarHBondContact O-N 3.39Å; I302-L305 HydrophobicContact CB-CD1 4.41Å; I302-L305 PolarHBondContact O-N 2.97Å; I302-N306 PolarHBondContact O-N 3.17Å
303	P	54.9	Low	58.9	Low	102 Å²	102	74 Å²	74	66%	0.662	39%	0.388	S	S	*	.	H	α-helix	trans	-48.4	-30.6	-177.9	-30.2	34.5	0	0	0	113.6	C307	P303-C307 PolarHBondContact O-N 2.91Å
304	H	57.7	Low	58.9	Low	84 Å²	84	73.9 Å²	73.9	39%	0.389	40%	0.395	S	S	.	.	H	α-helix	trans	-67.2	-46.8	177.5	-55.1	-55.7	0	0	0	113.7	Y229 I302 N306 C307 M308	Y229-H304 HydrophobicContact CE2-CB 4.31Å; Y229-H304 AromaticContact CE2-CG 3.99Å; Y229-H304 AromaticContact CE2-ND1 3.65Å; Y229-H304 AromaticContact CZ-CG 3.73Å; Y229-H304 AromaticContact CZ-ND1 3.91Å; Y229-H304 WeakPolarHBondContact OH-CB 3.48Å; Y229-H304 PolarHBondContact OH-CD2 3.32Å; Y229-H304 PolarHBondContact OH-ND1 2.9Å; I302-H304 HydrophobicContact CG2-CB 4.09Å; I302-H304 PolarHBondContact O-N 3.39Å; H304-N306 VanDerWaalsContact C-N 3.31Å; H304-N306 PolarHBondContact O-N 2.93Å; H304-C307 WeakPolarHBondContact O-CA 3.2Å; H304-C307 WeakPolarHBondContact O-CB 3.29Å; H304-C307 PolarHBondContact O-N 2.79Å; H304-C307 VanDerWaalsContact O-N 3.08Å; H304-M308 WeakPolarHBondContact O-CG 3.34Å; H304-M308 PolarHBondContact O-N 3.31Å
305	L	61.4	Low	58.8	Low	9 Å²	9	71.5 Å²	71.5	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-61.6	-39.9	176	-78	165.4	0	0	0	111.3	L242 V246 F293 I302 C307 M308 F309	L242-L305 HydrophobicContact CD2-CD1 4.23Å; V246-L305 HydrophobicContact CB-CD2 4.38Å; V246-L305 HydrophobicContact CG1-CD2 4.18Å; V246-L305 HydrophobicContact CG2-CD2 4.35Å; F293-L305 HydrophobicContact CE1-CB 4.11Å; F293-L305 HydrophobicContact CE1-CD1 4.45Å; F293-L305 HydrophobicContact CE2-CB 4.17Å; F293-L305 HydrophobicContact CZ-CB 3.51Å; I302-L305 HydrophobicContact CB-CD1 4.41Å; I302-L305 PolarHBondContact O-N 2.97Å; L305-C307 VanDerWaalsContact C-N 3.31Å; L305-C307 PolarHBondContact O-N 3.41Å; L305-M308 HydrophobicContact CD2-SD 4.43Å; L305-M308 PolarHBondContact O-N 2.89Å; L305-F309 WeakPolarHBondContact O-CB 3.16Å; L305-F309 PolarHBondContact O-N 3.3Å
306	N	63.5	Low	59.2	Low	43 Å²	43	66.3 Å²	66.3	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-37.7	174.1	-169.4	20.2	0	0	0	111.6	I302 H304 F309 K310	I302-N306 PolarHBondContact O-N 3.17Å; H304-N306 VanDerWaalsContact C-N 3.31Å; H304-N306 PolarHBondContact O-N 2.93Å; N306-F309 PolarHBondContact O-N 3.23Å; N306-K310 WeakPolarHBondContact O-CB 3.33Å; N306-K310 VanDerWaalsContact O-CG 3.32Å; N306-K310 WeakPolarHBondContact O-CG 3.36Å; N306-K310 PolarHBondContact O-N 3.22Å
307	C	61.8	Low	60	Low	75 Å²	75	65.5 Å²	65.5	51%	0.507	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-42.8	173.9	-170.4	0	0	0	0	112.1	P303 H304 L305 F309 T311	P303-C307 PolarHBondContact O-N 2.91Å; H304-C307 WeakPolarHBondContact O-CA 3.2Å; H304-C307 WeakPolarHBondContact O-CB 3.29Å; H304-C307 PolarHBondContact O-N 2.79Å; H304-C307 VanDerWaalsContact O-N 3.08Å; L305-C307 VanDerWaalsContact C-N 3.31Å; L305-C307 PolarHBondContact O-N 3.41Å; C307-F309 VanDerWaalsContact C-N 3.33Å; C307-T311 WeakPolarHBondContact O-CB 3.44Å; C307-T311 PolarHBondContact O-N 3.1Å; C307-T311 PolarHBondContact O-OG1 2.92Å
308	M	62.9	Low	60.7	Low	7 Å²	7	62 Å²	62	3%	0.034	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-45.1	174.9	-59.5	-173.7	58.5	0	0	110.8	F226 V246 V247 V250 I289 H304 L305 T311 A312	F226-M308 HydrophobicContact CD1-CE 3.79Å; F226-M308 HydrophobicContact CD1-CG 4.16Å; F226-M308 HydrophobicContact CE1-CB 3.66Å; F226-M308 HydrophobicContact CE1-CE 3.54Å; F226-M308 HydrophobicContact CE1-CG 3.51Å; F226-M308 HydrophobicContact CE1-SD 4.23Å; F226-M308 HydrophobicContact CG-CE 4.49Å; F226-M308 HydrophobicContact CZ-CB 4.05Å; F226-M308 HydrophobicContact CZ-CE 3.95Å; F226-M308 HydrophobicContact CZ-CG 4.35Å; V246-M308 HydrophobicContact CG1-CE 4.04Å; V246-M308 HydrophobicContact CG1-SD 4.48Å; V247-M308 HydrophobicContact CG2-CE 3.56Å; V247-M308 HydrophobicContact CG2-SD 3.42Å; V247-M308 WeakPolarHBondContact CG2-SD 3.5Å; V250-M308 HydrophobicContact CG2-CE 4.41Å; I289-M308 HydrophobicContact CD1-CB 4.42Å; H304-M308 WeakPolarHBondContact O-CG 3.34Å; H304-M308 PolarHBondContact O-N 3.31Å; L305-M308 HydrophobicContact CD2-SD 4.43Å; L305-M308 PolarHBondContact O-N 2.89Å; M308-T311 PolarHBondContact O-N 3.44Å; M308-A312 WeakPolarHBondContact O-CB 3.13Å; M308-A312 PolarHBondContact O-N 3.07Å
309	F	70.5	Confident	61.3	Low	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-51.2	178.1	-169.2	-122.7	0	0	0	111.8	I286 I289 I290 F293 L305 N306 C307 T311 A312 V313 I332 L338 W342 I343	I286-F309 HydrophobicContact CG2-CE2 4.13Å; I289-F309 HydrophobicContact CB-CD2 4.05Å; I289-F309 HydrophobicContact CD1-CD2 4.4Å; I289-F309 HydrophobicContact CG2-CB 3.92Å; I289-F309 HydrophobicContact CG2-CD2 3.51Å; I289-F309 HydrophobicContact CG2-CE2 4.36Å; I289-F309 HydrophobicContact CG2-CG 4Å; I290-F309 HydrophobicContact CD1-CE2 4.25Å; I290-F309 HydrophobicContact CD1-CZ 4.31Å; I290-F309 HydrophobicContact CG1-CE2 3.85Å; I290-F309 HydrophobicContact CG1-CZ 4.06Å; F293-F309 HydrophobicContact CE2-CB 4.49Å; L305-F309 WeakPolarHBondContact O-CB 3.16Å; L305-F309 PolarHBondContact O-N 3.3Å; N306-F309 PolarHBondContact O-N 3.23Å; C307-F309 VanDerWaalsContact C-N 3.33Å; F309-T311 PolarHBondContact O-N 2.8Å; F309-A312 PolarHBondContact O-N 2.88Å; F309-V313 HydrophobicContact CD1-CG2 4.41Å; F309-V313 HydrophobicContact CD2-CG2 4.13Å; F309-V313 HydrophobicContact CE1-CG2 4.14Å; F309-V313 HydrophobicContact CE2-CG2 3.84Å; F309-V313 HydrophobicContact CG-CG2 4.39Å; F309-V313 HydrophobicContact CZ-CG2 3.83Å; F309-V313 WeakPolarHBondContact O-CB 3.35Å; F309-V313 VanDerWaalsContact O-CG2 3.28Å; F309-V313 WeakPolarHBondContact O-CG2 3.49Å; F309-V313 PolarHBondContact O-N 3Å; F309-I332 HydrophobicContact CE1-CD1 4.01Å; F309-I332 HydrophobicContact CZ-CD1 3.78Å; F309-L338 HydrophobicContact CE1-CB 4.41Å; F309-W342 HydrophobicContact CD1-CH2 4.32Å; F309-W342 AromaticContact CD1-CZ2 3.82Å; F309-W342 HydrophobicContact CD1-CZ2 3.82Å; F309-W342 HydrophobicContact CE1-CH2 4.43Å; F309-W342 HydrophobicContact CE1-CZ2 4.12Å; F309-I343 HydrophobicContact CE1-CD1 3.81Å; F309-I343 HydrophobicContact CZ-CD1 4.49Å
310	K	67.6	Low	62.3	Low	82 Å²	82	49.2 Å²	49.2	36%	0.357	27%	0.27	S	S	.	.	H	α-helix	trans	-52.4	-41.7	173.7	-80.8	177.4	177.4	-174.8	0	112.2	N306 G314 W342	N306-K310 WeakPolarHBondContact O-CB 3.33Å; N306-K310 VanDerWaalsContact O-CG 3.32Å; N306-K310 WeakPolarHBondContact O-CG 3.36Å; N306-K310 PolarHBondContact O-N 3.22Å; K310-G314 PolarHBondContact O-N 3.22Å; K310-W342 HydrophobicContact CB-CH2 4.39Å; K310-W342 HydrophobicContact CB-CZ2 4.28Å; K310-W342 HydrophobicContact CG-CD2 4.03Å; K310-W342 VanDerWaalsContact CG-CE2 3.44Å; K310-W342 HydrophobicContact CG-CE3 4.45Å; K310-W342 HydrophobicContact CG-CH2 3.87Å; K310-W342 HydrophobicContact CG-CZ2 3.37Å; K310-W342 HydrophobicContact CG-CZ3 4.37Å
311	T	63.8	Low	63.6	Low	52 Å²	52	42.8 Å²	42.8	32%	0.319	25%	0.248	S	C	.	.	H	α-helix	trans	-69.8	-46.2	-179.5	-57.1	0	0	0	0	111.7	I222 C307 M308 F309 G314 G315	I222-T311 HydrophobicContact CB-CG2 4.45Å; I222-T311 HydrophobicContact CD1-CG2 4.28Å; I222-T311 HydrophobicContact CG1-CG2 3.76Å; I222-T311 HydrophobicContact CG2-CG2 4.16Å; C307-T311 WeakPolarHBondContact O-CB 3.44Å; C307-T311 PolarHBondContact O-N 3.1Å; C307-T311 PolarHBondContact O-OG1 2.92Å; M308-T311 PolarHBondContact O-N 3.44Å; F309-T311 PolarHBondContact O-N 2.8Å; T311-G314 PolarHBondContact O-N 3.42Å; T311-G315 PolarHBondContact O-N 2.88Å
312	A	66.9	Low	64.5	Low	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-46.1	178.2	0	0	0	0	0	111.5	I286 I289 M308 F309 G315 F316	I286-A312 HydrophobicContact CG1-CB 4.19Å; I289-A312 HydrophobicContact CD1-CB 4.47Å; M308-A312 WeakPolarHBondContact O-CB 3.13Å; M308-A312 PolarHBondContact O-N 3.07Å; F309-A312 PolarHBondContact O-N 2.88Å; A312-G315 PolarHBondContact O-N 3.38Å; A312-F316 WeakPolarHBondContact O-CB 3.3Å; A312-F316 PolarHBondContact O-N 3.1Å
313	V	72.1	Confident	65.4	Low	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-45.3	176	173.9	0	0	0	0	111.1	I286 F309 G315 F316 L317 F328 W342 L346	I286-V313 HydrophobicContact CD1-CG2 4.23Å; I286-V313 HydrophobicContact CG1-CG2 4.2Å; F309-V313 HydrophobicContact CD1-CG2 4.41Å; F309-V313 HydrophobicContact CD2-CG2 4.13Å; F309-V313 HydrophobicContact CE1-CG2 4.14Å; F309-V313 HydrophobicContact CE2-CG2 3.84Å; F309-V313 HydrophobicContact CG-CG2 4.39Å; F309-V313 HydrophobicContact CZ-CG2 3.83Å; F309-V313 WeakPolarHBondContact O-CB 3.35Å; F309-V313 VanDerWaalsContact O-CG2 3.28Å; F309-V313 WeakPolarHBondContact O-CG2 3.49Å; F309-V313 PolarHBondContact O-N 3Å; V313-G315 VanDerWaalsContact C-N 3.32Å; V313-G315 PolarHBondContact O-N 3.44Å; V313-F316 PolarHBondContact O-N 2.89Å; V313-L317 HydrophobicContact CG1-CD1 3.67Å; V313-L317 HydrophobicContact CG1-CG 4.22Å; V313-L317 WeakPolarHBondContact O-CB 3.39Å; V313-L317 WeakPolarHBondContact O-CG 3.31Å; V313-L317 PolarHBondContact O-N 3.12Å; V313-F328 HydrophobicContact CB-CE2 4.39Å; V313-F328 HydrophobicContact CB-CZ 4.3Å; V313-F328 HydrophobicContact CG1-CE1 4.08Å; V313-F328 HydrophobicContact CG1-CE2 3.99Å; V313-F328 HydrophobicContact CG1-CZ 3.52Å; V313-F328 HydrophobicContact CG2-CE2 3.55Å; V313-F328 HydrophobicContact CG2-CZ 3.73Å; V313-W342 HydrophobicContact CB-CH2 3.83Å; V313-W342 HydrophobicContact CB-CZ3 4.25Å; V313-W342 HydrophobicContact CG1-CH2 3.82Å; V313-W342 HydrophobicContact CG1-CZ3 3.83Å; V313-W342 HydrophobicContact CG2-CH2 4.1Å; V313-L346 HydrophobicContact CG1-CD2 3.96Å
314	G	66.5	Low	66.4	Low	27 Å²	27	40 Å²	40	28%	0.278	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-39.5	177	0	0	0	0	0	112.8	K310 T311 Q318	K310-G314 PolarHBondContact O-N 3.22Å; T311-G314 PolarHBondContact O-N 3.42Å; G314-Q318 WeakPolarHBondContact O-CG 3.5Å; G314-Q318 PolarHBondContact O-N 3.11Å
315	G	64	Low	67.3	Low	16 Å²	16	36 Å²	36	17%	0.165	21%	0.206	C	C	.	.	H	α-helix	trans	-66.9	-41	173.6	0	0	0	0	0	112.8	T311 A312 V313	T311-G315 PolarHBondContact O-N 2.88Å; A312-G315 PolarHBondContact O-N 3.38Å; V313-G315 VanDerWaalsContact C-N 3.32Å; V313-G315 PolarHBondContact O-N 3.44Å
316	F	70.9	Confident	67.9	Low	11 Å²	11	37.2 Å²	37.2	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-43.5	179.7	179.9	-107.3	0	0	0	112.7	E279 L282 K283 I286 A312 V313 Q318 D324 W327 F328	E279-F316 HydrophobicContact CG-CD2 4.44Å; E279-F316 HydrophobicContact CG-CE2 4Å; L282-F316 HydrophobicContact CB-CB 4.3Å; L282-F316 HydrophobicContact CB-CD2 4.22Å; L282-F316 HydrophobicContact CD1-CB 4.4Å; K283-F316 HydrophobicContact CD-CE2 4.13Å; K283-F316 HydrophobicContact CD-CZ 4.49Å; K283-F316 HydrophobicContact CG-CD2 4.22Å; K283-F316 HydrophobicContact CG-CE2 3.54Å; K283-F316 HydrophobicContact CG-CZ 4.05Å; I286-F316 HydrophobicContact CD1-CB 3.77Å; I286-F316 HydrophobicContact CD1-CD1 4.02Å; I286-F316 HydrophobicContact CD1-CG 3.84Å; A312-F316 WeakPolarHBondContact O-CB 3.3Å; A312-F316 PolarHBondContact O-N 3.1Å; V313-F316 PolarHBondContact O-N 2.89Å; F316-Q318 VanDerWaalsContact C-N 3.34Å; F316-Q318 PolarHBondContact O-N 3.27Å; F316-D324 HydrophobicContact CE1-CB 4.06Å; F316-D324 HydrophobicContact CE2-CB 4.4Å; F316-D324 HydrophobicContact CZ-CB 3.57Å; F316-W327 HydrophobicContact CD1-CZ3 4.49Å; F316-W327 AromaticContact CE1-CE3 3.85Å; F316-W327 HydrophobicContact CE1-CE3 3.85Å; F316-W327 AromaticContact CE1-CZ3 3.89Å; F316-W327 HydrophobicContact CE1-CZ3 3.89Å; F316-W327 HydrophobicContact CE2-CZ3 4.41Å; F316-W327 AromaticContact CZ-CE3 3.66Å; F316-W327 HydrophobicContact CZ-CE3 3.66Å; F316-W327 AromaticContact CZ-CZ3 3.83Å; F316-W327 HydrophobicContact CZ-CZ3 3.83Å; F316-F328 HydrophobicContact CD1-CB 4.42Å; F316-F328 HydrophobicContact CE1-CB 3.87Å
317	L	70.8	Confident	68.8	Low	10 Å²	10	38.4 Å²	38.4	5%	0.052	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-84.1	-1.5	-175.1	-64.3	179.8	0	0	0	114.5	V313 N319 C320 L325 F328 L346 L347 V350	V313-L317 HydrophobicContact CG1-CD1 3.67Å; V313-L317 HydrophobicContact CG1-CG 4.22Å; V313-L317 WeakPolarHBondContact O-CB 3.39Å; V313-L317 WeakPolarHBondContact O-CG 3.31Å; V313-L317 PolarHBondContact O-N 3.12Å; L317-N319 VanDerWaalsContact C-N 3.26Å; L317-N319 PolarHBondContact O-N 3.25Å; L317-C320 HydrophobicContact CD2-CB 4.08Å; L317-L325 HydrophobicContact CD2-CD1 4.28Å; L317-F328 HydrophobicContact CD1-CD1 4.24Å; L317-F328 HydrophobicContact CD1-CE1 4.14Å; L317-F328 HydrophobicContact CD2-CD1 4.39Å; L317-L346 HydrophobicContact CD1-CD2 3.78Å; L317-L346 HydrophobicContact CD1-CG 4.15Å; L317-L347 HydrophobicContact CD1-CD2 4.29Å; L317-V350 HydrophobicContact CB-CG2 4.22Å
318	Q	65	Low	69.8	Low	122 Å²	122	34.8 Å²	34.8	57%	0.57	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-63.2	-29.5	-178.9	-98.4	174.9	19	0	0	113.9	G314 F316	G314-Q318 WeakPolarHBondContact O-CG 3.5Å; G314-Q318 PolarHBondContact O-N 3.11Å; F316-Q318 VanDerWaalsContact C-N 3.34Å; F316-Q318 PolarHBondContact O-N 3.27Å
319	N	59.3	Low	70.5	Confident	75 Å²	75	34.5 Å²	34.5	40%	0.401	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-149.9	48.7	174.1	-63.8	-69.4	0	0	0	111.1	R215 L317	R215-N319 PolarHBondContact NE-ND2 2.96Å; R215-N319 PolarHBondContact NH2-O 3.09Å; L317-N319 VanDerWaalsContact C-N 3.26Å; L317-N319 PolarHBondContact O-N 3.25Å
320	C	66.4	Low	70.9	Confident	9 Å²	9	36.3 Å²	36.3	6%	0.061	20%	0.2	C	C	.	.			trans	-68.2	146.2	-179.6	56.2	0	0	0	0	111.5	L317 D324 V350 H354	L317-C320 HydrophobicContact CD2-CB 4.08Å; C320-D324 HydrophobicContact CB-CB 3.74Å; C320-V350 WeakPolarHBondContact SG-CG1 3.48Å; C320-H354 PolarHBondContact O-CE1 2.9Å
321	S	69.5	Low	71.5	Confident	49 Å²	49	35.1 Å²	35.1	34%	0.343	19%	0.194	S	C	.	.			trans	-74.3	171.1	161.5	68.4	0	0	0	0	111	D323 D324 L325	S321-D323 PolarHBondContact O-N 2.96Å; S321-D323 PolarHBondContact OG-N 3.4Å; S321-D324 WeakPolarHBondContact CB-OD2 3.45Å; S321-D324 PolarHBondContact N-OD2 2.75Å; S321-D324 WeakPolarHBondContact O-CB 3.21Å; S321-D324 PolarHBondContact O-N 2.99Å; S321-D324 PolarHBondContact OG-N 3.44Å; S321-D324 VanDerWaalsContact OG-N 3.11Å; S321-D324 PolarHBondContact OG-OD2 3.36Å; S321-L325 PolarHBondContact O-N 3.13Å
322	L	66.3	Low	72.3	Confident	37 Å²	37	32.6 Å²	32.6	19%	0.194	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-39.1	171.6	-174.9	65.6	0	0	0	111.2	D324 L325 L326	L322-D324 VanDerWaalsContact C-N 3.31Å; L322-D324 PolarHBondContact O-N 3.07Å; L322-L325 WeakPolarHBondContact O-CB 3.48Å; L322-L325 PolarHBondContact O-N 2.81Å; L322-L326 HydrophobicContact CG-CD1 4.2Å; L322-L326 HydrophobicContact CG-CG 4.49Å; L322-L326 WeakPolarHBondContact O-CB 3.31Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 3.17Å
323	D	72.1	Confident	72.8	Confident	118 Å²	118	32.7 Å²	32.7	63%	0.631	18%	0.179	S	C	*	.	H	α-helix	trans	-67	-35.3	179.7	-62.5	-29.5	0	0	0	111.5	S321 L326 W327	S321-D323 PolarHBondContact O-N 2.96Å; S321-D323 PolarHBondContact OG-N 3.4Å; D323-L326 PolarHBondContact O-N 3.36Å; D323-W327 VanDerWaalsContact O-CB 3.26Å; D323-W327 WeakPolarHBondContact O-CB 3.48Å; D323-W327 PolarHBondContact O-N 3.17Å
324	D	76.4	Confident	72.8	Confident	14 Å²	14	35.5 Å²	35.5	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-42	173.4	-67.9	-39.1	0	0	0	112.4	K283 F316 C320 S321 L322 W327 F328	K283-D324 WeakPolarHBondContact CE-OD1 3.32Å; K283-D324 IonicContact NZ-OD1 2.66Å; K283-D324 PolarHBondContact NZ-OD1 2.82Å; F316-D324 HydrophobicContact CE1-CB 4.06Å; F316-D324 HydrophobicContact CE2-CB 4.4Å; F316-D324 HydrophobicContact CZ-CB 3.57Å; C320-D324 HydrophobicContact CB-CB 3.74Å; S321-D324 WeakPolarHBondContact CB-OD2 3.45Å; S321-D324 PolarHBondContact N-OD2 2.75Å; S321-D324 WeakPolarHBondContact O-CB 3.21Å; S321-D324 PolarHBondContact O-N 2.99Å; S321-D324 PolarHBondContact OG-N 3.44Å; S321-D324 VanDerWaalsContact OG-N 3.11Å; S321-D324 PolarHBondContact OG-OD2 3.36Å; L322-D324 VanDerWaalsContact C-N 3.31Å; L322-D324 PolarHBondContact O-N 3.07Å; D324-W327 PolarHBondContact O-N 2.74Å; D324-F328 WeakPolarHBondContact O-CB 3.47Å; D324-F328 PolarHBondContact O-N 2.97Å
325	L	75.2	Confident	73.1	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-46	175.8	-167.9	94.5	0	0	0	110.5	L317 S321 L322 F328 T329 L347 V350 I351 F369	L317-L325 HydrophobicContact CD2-CD1 4.28Å; S321-L325 PolarHBondContact O-N 3.13Å; L322-L325 WeakPolarHBondContact O-CB 3.48Å; L322-L325 PolarHBondContact O-N 2.81Å; L325-F328 PolarHBondContact O-N 3.38Å; L325-T329 WeakPolarHBondContact O-CB 3.45Å; L325-T329 PolarHBondContact O-N 3.2Å; L325-T329 PolarHBondContact O-OG1 2.91Å; L325-L347 HydrophobicContact CD1-CD2 3.95Å; L325-V350 HydrophobicContact CD1-CB 4.17Å; L325-V350 HydrophobicContact CD1-CG1 3.59Å; L325-I351 HydrophobicContact CD2-CD1 4.09Å; L325-I351 HydrophobicContact CD2-CG1 3.49Å; L325-I351 VanDerWaalsContact CD2-CG1 3.49Å; L325-F369 HydrophobicContact CD2-CD2 3.34Å; L325-F369 HydrophobicContact CD2-CE2 3.77Å; L325-F369 HydrophobicContact CD2-CG 4.15Å; L325-F369 HydrophobicContact CG-CD2 4.02Å; L325-F369 HydrophobicContact CG-CE2 4.08Å
326	L	75.1	Confident	73.4	Confident	33 Å²	33	33.4 Å²	33.4	17%	0.173	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-46.9	176.5	-71.9	172.5	0	0	0	111.3	L322 D323 F328 T329 C330 V372	L322-L326 HydrophobicContact CG-CD1 4.2Å; L322-L326 HydrophobicContact CG-CG 4.49Å; L322-L326 WeakPolarHBondContact O-CB 3.31Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 3.17Å; D323-L326 PolarHBondContact O-N 3.36Å; L326-F328 PolarHBondContact O-N 3.47Å; L326-T329 WeakPolarHBondContact O-CB 3.44Å; L326-T329 PolarHBondContact O-N 3.3Å; L326-C330 PolarHBondContact O-N 2.87Å; L326-C330 PolarHBondContact O-SG 3.12Å; L326-C330 VanDerWaalsContact O-SG 3.32Å; L326-V372 HydrophobicContact CD2-CB 4.11Å; L326-V372 HydrophobicContact CD2-CG2 3.68Å
327	W	82.9	Confident	73.2	Confident	68 Å²	68	38.6 Å²	38.6	26%	0.258	19%	0.191	S	C	.	.	H	α-helix	trans	-56.6	-49.2	175.4	171.1	86.5	0	0	0	111.8	K283 I286 V287 F316 D323 D324 T329 C330 K331	K283-W327 HydrophobicContact CB-CH2 3.69Å; K283-W327 HydrophobicContact CB-CZ2 3.86Å; K283-W327 HydrophobicContact CB-CZ3 4.28Å; K283-W327 HydrophobicContact CD-CD2 4.46Å; K283-W327 HydrophobicContact CD-CE3 4.48Å; K283-W327 HydrophobicContact CD-CZ2 4.45Å; K283-W327 HydrophobicContact CG-CD2 4.45Å; K283-W327 HydrophobicContact CG-CE3 4.1Å; K283-W327 HydrophobicContact CG-CH2 3.64Å; K283-W327 HydrophobicContact CG-CZ2 3.94Å; K283-W327 HydrophobicContact CG-CZ3 3.71Å; I286-W327 HydrophobicContact CB-CH2 4.27Å; I286-W327 HydrophobicContact CD1-CZ3 4.37Å; I286-W327 HydrophobicContact CG2-CH2 4.09Å; I286-W327 HydrophobicContact CG2-CZ3 4.43Å; V287-W327 HydrophobicContact CG2-CH2 4.17Å; V287-W327 HydrophobicContact CG2-CZ2 3.71Å; F316-W327 HydrophobicContact CD1-CZ3 4.49Å; F316-W327 AromaticContact CE1-CE3 3.85Å; F316-W327 HydrophobicContact CE1-CE3 3.85Å; F316-W327 AromaticContact CE1-CZ3 3.89Å; F316-W327 HydrophobicContact CE1-CZ3 3.89Å; F316-W327 HydrophobicContact CE2-CZ3 4.41Å; F316-W327 AromaticContact CZ-CE3 3.66Å; F316-W327 HydrophobicContact CZ-CE3 3.66Å; F316-W327 AromaticContact CZ-CZ3 3.83Å; F316-W327 HydrophobicContact CZ-CZ3 3.83Å; D323-W327 VanDerWaalsContact O-CB 3.26Å; D323-W327 WeakPolarHBondContact O-CB 3.48Å; D323-W327 PolarHBondContact O-N 3.17Å; D324-W327 PolarHBondContact O-N 2.74Å; W327-T329 VanDerWaalsContact C-N 3.3Å; W327-T329 PolarHBondContact O-N 3.45Å; W327-C330 PolarHBondContact O-N 2.82Å; W327-K331 HydrophobicContact CD2-CG 4.39Å; W327-K331 HydrophobicContact CH2-CG 4.49Å; W327-K331 HydrophobicContact CZ2-CG 3.97Å; W327-K331 WeakPolarHBondContact O-CG 3.37Å; W327-K331 PolarHBondContact O-N 3.46Å
328	F	82.7	Confident	73.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-37.5	-179.6	175.2	-103.2	0	0	0	111.6	I286 V313 F316 L317 D324 L325 L326 K331 I332 I343 L347	I286-F328 HydrophobicContact CD1-CD2 4.23Å; I286-F328 HydrophobicContact CD1-CE2 4.38Å; I286-F328 HydrophobicContact CG2-CD2 4.08Å; I286-F328 HydrophobicContact CG2-CE2 4.03Å; V313-F328 HydrophobicContact CB-CE2 4.39Å; V313-F328 HydrophobicContact CB-CZ 4.3Å; V313-F328 HydrophobicContact CG1-CE1 4.08Å; V313-F328 HydrophobicContact CG1-CE2 3.99Å; V313-F328 HydrophobicContact CG1-CZ 3.52Å; V313-F328 HydrophobicContact CG2-CE2 3.55Å; V313-F328 HydrophobicContact CG2-CZ 3.73Å; F316-F328 HydrophobicContact CD1-CB 4.42Å; F316-F328 HydrophobicContact CE1-CB 3.87Å; L317-F328 HydrophobicContact CD1-CD1 4.24Å; L317-F328 HydrophobicContact CD1-CE1 4.14Å; L317-F328 HydrophobicContact CD2-CD1 4.39Å; D324-F328 WeakPolarHBondContact O-CB 3.47Å; D324-F328 PolarHBondContact O-N 2.97Å; L325-F328 PolarHBondContact O-N 3.38Å; L326-F328 PolarHBondContact O-N 3.47Å; F328-K331 PolarHBondContact O-N 2.93Å; F328-I332 HydrophobicContact CE1-CG2 4.49Å; F328-I332 HydrophobicContact CZ-CB 4.39Å; F328-I332 PolarHBondContact O-N 2.94Å; F328-I343 HydrophobicContact CE1-CG2 4.1Å; F328-I343 HydrophobicContact CZ-CD1 4.38Å; F328-I343 HydrophobicContact CZ-CG2 4.5Å; F328-L347 HydrophobicContact CD1-CD2 3.9Å; F328-L347 HydrophobicContact CE1-CD2 4.04Å
329	T	77.3	Confident	73.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-48.9	176.3	-52.8	0	0	0	0	111	L325 L326 W327 K331 I332 M333 F369 V372 V373	L325-T329 WeakPolarHBondContact O-CB 3.45Å; L325-T329 PolarHBondContact O-N 3.2Å; L325-T329 PolarHBondContact O-OG1 2.91Å; L326-T329 WeakPolarHBondContact O-CB 3.44Å; L326-T329 PolarHBondContact O-N 3.3Å; W327-T329 VanDerWaalsContact C-N 3.3Å; W327-T329 PolarHBondContact O-N 3.45Å; T329-K331 PolarHBondContact O-N 3.43Å; T329-I332 WeakPolarHBondContact O-CG2 2.98Å; T329-I332 PolarHBondContact O-N 2.81Å; T329-M333 HydrophobicContact CG2-CG 4.31Å; T329-M333 WeakPolarHBondContact O-CB 3.19Å; T329-M333 WeakPolarHBondContact O-CG 3.46Å; T329-M333 PolarHBondContact O-N 3.17Å; T329-F369 HydrophobicContact CG2-CD2 4.38Å; T329-F369 HydrophobicContact CG2-CE2 3.82Å; T329-F369 HydrophobicContact CG2-CZ 4.08Å; T329-F369 WeakPolarHBondContact OG1-CE2 3.38Å; T329-V372 HydrophobicContact CG2-CG1 4.41Å; T329-V373 HydrophobicContact CG2-CG2 3.6Å
330	C	77.3	Confident	73.6	Confident	39 Å²	39	31.5 Å²	31.5	26%	0.264	16%	0.16	S	C	.	.	H	α-helix	trans	-55.4	-42.3	174.4	-68.9	0	0	0	0	111.2	L326 W327 E334 V372 M376	L326-C330 PolarHBondContact O-N 2.87Å; L326-C330 PolarHBondContact O-SG 3.12Å; L326-C330 VanDerWaalsContact O-SG 3.32Å; W327-C330 PolarHBondContact O-N 2.82Å; C330-E334 PolarHBondContact O-N 2.93Å; C330-V372 WeakPolarHBondContact SG-CG1 3.45Å; C330-M376 HydrophobicContact CB-CE 3.99Å
331	K	81.3	Confident	73.4	Confident	56 Å²	56	36.6 Å²	36.6	24%	0.243	19%	0.186	C	C	.	.	H	α-helix	trans	-71.1	-38.2	179.8	-71.1	-58.7	175.9	-163	0	114.9	I290 W327 F328 T329 M333 E334	I290-K331 HydrophobicContact CD1-CB 4.28Å; W327-K331 HydrophobicContact CD2-CG 4.39Å; W327-K331 HydrophobicContact CH2-CG 4.49Å; W327-K331 HydrophobicContact CZ2-CG 3.97Å; W327-K331 WeakPolarHBondContact O-CG 3.37Å; W327-K331 PolarHBondContact O-N 3.46Å; F328-K331 PolarHBondContact O-N 2.93Å; T329-K331 PolarHBondContact O-N 3.43Å; K331-M333 VanDerWaalsContact C-N 3.34Å; K331-E334 WeakPolarHBondContact CD-OE2 3.49Å; K331-E334 IonicContact NZ-OE1 3.34Å; K331-E334 PolarHBondContact NZ-OE1 3.3Å; K331-E334 IonicContact NZ-OE2 3.44Å; K331-E334 PolarHBondContact NZ-OE2 3.31Å; K331-E334 VanDerWaalsContact NZ-OE2 3.12Å; K331-E334 WeakPolarHBondContact O-CB 3.21Å; K331-E334 PolarHBondContact O-N 3.33Å
332	I	80.1	Confident	73.4	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-74.5	-29	176.6	-161.1	62.9	0	0	0	111.9	F309 F328 T329 E334 A335 P336 L338 I343 Y418	F309-I332 HydrophobicContact CE1-CD1 4.01Å; F309-I332 HydrophobicContact CZ-CD1 3.78Å; F328-I332 HydrophobicContact CE1-CG2 4.49Å; F328-I332 HydrophobicContact CZ-CB 4.39Å; F328-I332 PolarHBondContact O-N 2.94Å; T329-I332 WeakPolarHBondContact O-CG2 2.98Å; T329-I332 PolarHBondContact O-N 2.81Å; I332-E334 PolarHBondContact O-N 3.32Å; I332-A335 CarbonylContact O-C 3.58Å; I332-A335 WeakPolarHBondContact O-CA 3.05Å; I332-A335 PolarHBondContact O-N 2.97Å; I332-P336 WeakPolarHBondContact O-CA 3.17Å; I332-P336 VanDerWaalsContact O-N 3.09Å; I332-L338 HydrophobicContact CD1-CB 3.97Å; I332-I343 HydrophobicContact CD1-CD1 3.58Å; I332-I343 HydrophobicContact CG1-CD1 3.65Å; I332-I343 HydrophobicContact CG1-CG2 4.34Å; I332-I343 HydrophobicContact CG2-CG2 4.46Å; I332-Y418 VanDerWaalsContact CG1-OH 3.31Å; I332-Y418 WeakPolarHBondContact CG1-OH 3.49Å; I332-Y418 HydrophobicContact CG2-CE1 4.12Å
333	M	77	Confident	73.8	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-69.7	-16.8	175.4	-69.2	-57.7	-62.1	0	0	113.4	T329 K331 P336 M376 S377 Y380 I415 Y418	T329-M333 HydrophobicContact CG2-CG 4.31Å; T329-M333 WeakPolarHBondContact O-CB 3.19Å; T329-M333 WeakPolarHBondContact O-CG 3.46Å; T329-M333 PolarHBondContact O-N 3.17Å; K331-M333 VanDerWaalsContact C-N 3.34Å; M333-P336 WeakPolarHBondContact O-CD 3.26Å; M333-M376 HydrophobicContact CB-CB 3.77Å; M333-M376 HydrophobicContact CB-CG 4.49Å; M333-M376 HydrophobicContact CG-CB 4.05Å; M333-S377 WeakPolarHBondContact CE-OG 3.5Å; M333-Y380 WeakPolarHBondContact O-CD2 3.24Å; M333-I415 HydrophobicContact CE-CG2 4.42Å; M333-Y418 HydrophobicContact SD-CD1 3.91Å; M333-Y418 HydrophobicContact SD-CD2 4.1Å; M333-Y418 HydrophobicContact SD-CE1 4.06Å; M333-Y418 HydrophobicContact SD-CE2 4.24Å; M333-Y418 HydrophobicContact SD-CG 3.93Å
334	E	72.7	Confident	73.7	Confident	59 Å²	59	29.2 Å²	29.2	28%	0.276	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.5	166.8	-69.5	168	-166.7	0	0	111.9	C330 K331 I332 Y380	C330-E334 PolarHBondContact O-N 2.93Å; K331-E334 WeakPolarHBondContact CD-OE2 3.49Å; K331-E334 IonicContact NZ-OE1 3.34Å; K331-E334 PolarHBondContact NZ-OE1 3.3Å; K331-E334 IonicContact NZ-OE2 3.44Å; K331-E334 PolarHBondContact NZ-OE2 3.31Å; K331-E334 VanDerWaalsContact NZ-OE2 3.12Å; K331-E334 WeakPolarHBondContact O-CB 3.21Å; K331-E334 PolarHBondContact O-N 3.33Å; I332-E334 PolarHBondContact O-N 3.32Å; E334-Y380 WeakPolarHBondContact CG-OH 3.36Å
335	A	72.5	Confident	73.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-144.1	63	179.8	0	0	0	0	0	111.6	I290 T294 I332 W337 L338	I290-A335 HydrophobicContact CG2-CB 4.02Å; T294-A335 HydrophobicContact CG2-CB 4.06Å; I332-A335 CarbonylContact O-C 3.58Å; I332-A335 WeakPolarHBondContact O-CA 3.05Å; I332-A335 PolarHBondContact O-N 2.97Å; A335-W337 HydrophobicContact CB-CH2 3.99Å; A335-W337 HydrophobicContact CB-CZ2 3.84Å; A335-W337 HydrophobicContact CB-CZ3 4.4Å; A335-W337 PolarHBondContact O-N 3.22Å; A335-W337 VanDerWaalsContact O-N 3.08Å; A335-L338 HydrophobicContact CB-CD1 3.64Å; A335-L338 HydrophobicContact CB-CG 4.32Å; A335-L338 WeakPolarHBondContact O-CB 3.37Å; A335-L338 PolarHBondContact O-N 2.77Å
336	P	69.8	Low	73	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.3	-164.5	25.8	-33.3	0	0	0	113.9	I332 M333 L338 V410 T414 Y418	I332-P336 WeakPolarHBondContact O-CA 3.17Å; I332-P336 VanDerWaalsContact O-N 3.09Å; M333-P336 WeakPolarHBondContact O-CD 3.26Å; P336-L338 PolarHBondContact O-N 3.16Å; P336-V410 HydrophobicContact CG-CB 4.28Å; P336-V410 HydrophobicContact CG-CG1 3.43Å; P336-V410 VanDerWaalsContact CG-CG1 3.43Å; P336-V410 HydrophobicContact CG-CG2 3.88Å; P336-T414 HydrophobicContact CB-CG2 4.25Å; P336-T414 HydrophobicContact CG-CG2 4.2Å; P336-Y418 HydrophobicContact CB-CD2 4.4Å; P336-Y418 HydrophobicContact CB-CE2 3.77Å
337	W	68.2	Low	73	Confident	120 Å²	120	32.1 Å²	32.1	46%	0.455	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.1	172.6	61.3	86.8	0	0	0	112.9	T294 A335 G339 V410 T414	T294-W337 HydrophobicContact CG2-CH2 4.3Å; T294-W337 HydrophobicContact CG2-CZ2 3.96Å; A335-W337 HydrophobicContact CB-CH2 3.99Å; A335-W337 HydrophobicContact CB-CZ2 3.84Å; A335-W337 HydrophobicContact CB-CZ3 4.4Å; A335-W337 PolarHBondContact O-N 3.22Å; A335-W337 VanDerWaalsContact O-N 3.08Å; W337-G339 PolarHBondContact O-N 3.47Å; W337-V410 HydrophobicContact CZ3-CG2 4.1Å; W337-T414 HydrophobicContact CB-CG2 4.02Å
338	L	70.4	Confident	72.4	Confident	12 Å²	12	32 Å²	32	6%	0.063	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	118.4	177.5	-72.5	167.2	0	0	0	110.3	I290 F293 F309 I332 A335 P336 V340 I343	I290-L338 HydrophobicContact CG1-CD1 4.3Å; I290-L338 HydrophobicContact CG2-CD1 4.4Å; F293-L338 HydrophobicContact CB-CD1 3.66Å; F293-L338 HydrophobicContact CB-CD2 3.74Å; F293-L338 HydrophobicContact CB-CG 4.27Å; F293-L338 HydrophobicContact CD1-CD2 3.66Å; F293-L338 HydrophobicContact CD2-CD1 3.99Å; F293-L338 HydrophobicContact CD2-CD2 3.44Å; F293-L338 VanDerWaalsContact CD2-CD2 3.44Å; F293-L338 HydrophobicContact CD2-CG 4.39Å; F293-L338 HydrophobicContact CE1-CD2 4.06Å; F293-L338 HydrophobicContact CE2-CD2 3.85Å; F293-L338 HydrophobicContact CG-CD1 4.04Å; F293-L338 HydrophobicContact CG-CD2 3.34Å; F293-L338 HydrophobicContact CG-CG 4.33Å; F293-L338 HydrophobicContact CZ-CD2 4.13Å; F309-L338 HydrophobicContact CE1-CB 4.41Å; I332-L338 HydrophobicContact CD1-CB 3.97Å; A335-L338 HydrophobicContact CB-CD1 3.64Å; A335-L338 HydrophobicContact CB-CG 4.32Å; A335-L338 WeakPolarHBondContact O-CB 3.37Å; A335-L338 PolarHBondContact O-N 2.77Å; P336-L338 PolarHBondContact O-N 3.16Å; L338-V340 PolarHBondContact O-N 3.01Å; L338-I343 WeakPolarHBondContact O-CD1 2.97Å
339	G	66.3	Low	71.7	Confident	7 Å²	7	38.6 Å²	38.6	7%	0.072	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	24.8	177.1	0	0	0	0	0	114.7	W337 D341 W342 I343	W337-G339 PolarHBondContact O-N 3.47Å; G339-D341 PolarHBondContact O-N 3.24Å; G339-W342 PolarHBondContact O-N 2.92Å; G339-I343 WeakPolarHBondContact O-CB 3.48Å; G339-I343 WeakPolarHBondContact O-CG1 3.11Å; G339-I343 PolarHBondContact O-N 2.87Å
340	V	65.7	Low	71.4	Confident	39 Å²	39	39.2 Å²	39.2	24%	0.236	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.8	-179	89	0	0	0	0	113.3	L338 T414 L417 Y418	L338-V340 PolarHBondContact O-N 3.01Å; V340-T414 HydrophobicContact CG2-CG2 4.45Å; V340-L417 HydrophobicContact CB-CD1 4.13Å; V340-L417 HydrophobicContact CG1-CD1 3.78Å; V340-L417 HydrophobicContact CG2-CB 3.87Å; V340-L417 HydrophobicContact CG2-CD1 3.37Å; V340-L417 HydrophobicContact CG2-CG 4.22Å; V340-Y418 HydrophobicContact CG2-CE2 4.42Å
341	D	63.6	Low	71	Confident	115 Å²	115	37.5 Å²	37.5	62%	0.615	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.5	178.4	59.3	-51.9	0	0	0	114.4	G339	G339-D341 PolarHBondContact O-N 3.24Å
342	W	67.6	Low	70.4	Confident	38 Å²	38	35.8 Å²	35.8	14%	0.144	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-26	-173	63.9	-88.2	0	0	0	115.1	F309 K310 V313 G339 S345 L346	F309-W342 HydrophobicContact CD1-CH2 4.32Å; F309-W342 AromaticContact CD1-CZ2 3.82Å; F309-W342 HydrophobicContact CD1-CZ2 3.82Å; F309-W342 HydrophobicContact CE1-CH2 4.43Å; F309-W342 HydrophobicContact CE1-CZ2 4.12Å; K310-W342 HydrophobicContact CB-CH2 4.39Å; K310-W342 HydrophobicContact CB-CZ2 4.28Å; K310-W342 HydrophobicContact CG-CD2 4.03Å; K310-W342 VanDerWaalsContact CG-CE2 3.44Å; K310-W342 HydrophobicContact CG-CE3 4.45Å; K310-W342 HydrophobicContact CG-CH2 3.87Å; K310-W342 HydrophobicContact CG-CZ2 3.37Å; K310-W342 HydrophobicContact CG-CZ3 4.37Å; V313-W342 HydrophobicContact CB-CH2 3.83Å; V313-W342 HydrophobicContact CB-CZ3 4.25Å; V313-W342 HydrophobicContact CG1-CH2 3.82Å; V313-W342 HydrophobicContact CG1-CZ3 3.83Å; V313-W342 HydrophobicContact CG2-CH2 4.1Å; G339-W342 PolarHBondContact O-N 2.92Å; W342-S345 PolarHBondContact O-N 3.38Å; W342-L346 HydrophobicContact CE3-CB 4.39Å; W342-L346 HydrophobicContact CE3-CD2 4Å; W342-L346 HydrophobicContact CZ3-CD2 3.61Å; W342-L346 WeakPolarHBondContact O-CB 3.28Å; W342-L346 PolarHBondContact O-N 3.45Å
343	I	74.7	Confident	69.8	Low	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-49	-176.9	-68.5	176.5	0	0	0	112.1	F309 F328 I332 L338 G339 S345 L346 L347 Y418	F309-I343 HydrophobicContact CE1-CD1 3.81Å; F309-I343 HydrophobicContact CZ-CD1 4.49Å; F328-I343 HydrophobicContact CE1-CG2 4.1Å; F328-I343 HydrophobicContact CZ-CD1 4.38Å; F328-I343 HydrophobicContact CZ-CG2 4.5Å; I332-I343 HydrophobicContact CD1-CD1 3.58Å; I332-I343 HydrophobicContact CG1-CD1 3.65Å; I332-I343 HydrophobicContact CG1-CG2 4.34Å; I332-I343 HydrophobicContact CG2-CG2 4.46Å; L338-I343 WeakPolarHBondContact O-CD1 2.97Å; G339-I343 WeakPolarHBondContact O-CB 3.48Å; G339-I343 WeakPolarHBondContact O-CG1 3.11Å; G339-I343 PolarHBondContact O-N 2.87Å; I343-S345 VanDerWaalsContact C-N 3.27Å; I343-S345 PolarHBondContact O-N 2.89Å; I343-L346 PolarHBondContact O-N 3.25Å; I343-L347 HydrophobicContact CG2-CD1 3.61Å; I343-L347 HydrophobicContact CG2-CG 3.97Å; I343-L347 WeakPolarHBondContact O-CG 3.4Å; I343-L347 PolarHBondContact O-N 3.46Å; I343-Y418 HydrophobicContact CG2-CE1 4.23Å
344	P	71	Confident	69.4	Low	12 Å²	12	41.4 Å²	41.4	8%	0.078	21%	0.208	C	C	.	.	H	α-helix	trans	-55.6	-44.6	176.2	-26	34.9	0	0	0	111.6	L346 L347 R348 Y418 L421	P344-L346 VanDerWaalsContact C-N 3.34Å; P344-L346 PolarHBondContact O-N 3.41Å; P344-L347 PolarHBondContact O-N 2.75Å; P344-R348 WeakPolarHBondContact O-CB 3.14Å; P344-R348 PolarHBondContact O-N 2.85Å; P344-Y418 HydrophobicContact CG-CD1 4.18Å; P344-Y418 HydrophobicContact CG-CE1 4.15Å; P344-Y418 HydrophobicContact CG-CE2 4.46Å; P344-Y418 HydrophobicContact CG-CG 4.36Å; P344-L421 HydrophobicContact CB-CD2 4.4Å; P344-L421 HydrophobicContact CB-CG 4.47Å; P344-L421 VanDerWaalsContact O-CD2 3.25Å; P344-L421 WeakPolarHBondContact O-CD2 3.28Å
345	S	67.4	Low	69	Low	63 Å²	63	38.7 Å²	38.7	44%	0.441	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-40.3	176.8	-169.6	0	0	0	0	112.8	W342 I343 K349	W342-S345 PolarHBondContact O-N 3.38Å; I343-S345 VanDerWaalsContact C-N 3.27Å; I343-S345 PolarHBondContact O-N 2.89Å; S345-K349 WeakPolarHBondContact O-CG 3.49Å; S345-K349 PolarHBondContact O-N 3.17Å
346	L	70.1	Confident	68.7	Low	46 Å²	46	43.2 Å²	43.2	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-66.9	-48.7	177.4	-178.9	62.3	0	0	0	111.7	V313 L317 W342 I343 P344 R348 K349 V350	V313-L346 HydrophobicContact CG1-CD2 3.96Å; L317-L346 HydrophobicContact CD1-CD2 3.78Å; L317-L346 HydrophobicContact CD1-CG 4.15Å; W342-L346 HydrophobicContact CE3-CB 4.39Å; W342-L346 HydrophobicContact CE3-CD2 4Å; W342-L346 HydrophobicContact CZ3-CD2 3.61Å; W342-L346 WeakPolarHBondContact O-CB 3.28Å; W342-L346 PolarHBondContact O-N 3.45Å; I343-L346 PolarHBondContact O-N 3.25Å; P344-L346 VanDerWaalsContact C-N 3.34Å; P344-L346 PolarHBondContact O-N 3.41Å; L346-R348 VanDerWaalsContact C-N 3.26Å; L346-R348 PolarHBondContact O-N 3.05Å; L346-K349 WeakPolarHBondContact O-CB 3.23Å; L346-K349 PolarHBondContact O-N 2.63Å; L346-V350 HydrophobicContact CD1-CG2 4.23Å; L346-V350 HydrophobicContact CG-CG2 4.37Å; L346-V350 WeakPolarHBondContact O-CG2 3.23Å; L346-V350 PolarHBondContact O-N 3.31Å
347	L	73.4	Confident	68.4	Low	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-42.7	178.2	-70	174.7	0	0	0	110.9	L317 L325 F328 I343 P344 K349 V350 I351 F369 Y418	L317-L347 HydrophobicContact CD1-CD2 4.29Å; L325-L347 HydrophobicContact CD1-CD2 3.95Å; F328-L347 HydrophobicContact CD1-CD2 3.9Å; F328-L347 HydrophobicContact CE1-CD2 4.04Å; I343-L347 HydrophobicContact CG2-CD1 3.61Å; I343-L347 HydrophobicContact CG2-CG 3.97Å; I343-L347 WeakPolarHBondContact O-CG 3.4Å; I343-L347 PolarHBondContact O-N 3.46Å; P344-L347 PolarHBondContact O-N 2.75Å; L347-K349 PolarHBondContact O-N 2.85Å; L347-V350 PolarHBondContact O-N 2.79Å; L347-I351 WeakPolarHBondContact O-CD1 3.33Å; L347-I351 VanDerWaalsContact O-CG1 3.23Å; L347-I351 WeakPolarHBondContact O-CG1 3.46Å; L347-I351 PolarHBondContact O-N 3.4Å; L347-F369 HydrophobicContact CB-CE2 4.46Å; L347-F369 HydrophobicContact CB-CZ 3.97Å; L347-F369 HydrophobicContact CD1-CE2 4.26Å; L347-F369 HydrophobicContact CD1-CZ 3.85Å; L347-F369 HydrophobicContact CD2-CE2 4.27Å; L347-F369 HydrophobicContact CG-CZ 4.32Å; L347-Y418 HydrophobicContact CD1-CE1 4.31Å
348	R	70.6	Confident	68.4	Low	64 Å²	64	45.9 Å²	45.9	24%	0.242	25%	0.251	C	S	.	.	H	α-helix	trans	-55.9	-48.8	173.3	-172.2	178	163.5	-172.9	-7	112.4	P344 L346 I351 L352 L421 N425 G426	P344-R348 WeakPolarHBondContact O-CB 3.14Å; P344-R348 PolarHBondContact O-N 2.85Å; L346-R348 VanDerWaalsContact C-N 3.26Å; L346-R348 PolarHBondContact O-N 3.05Å; R348-I351 PolarHBondContact O-N 3.37Å; R348-L352 HydrophobicContact CG-CD1 3.98Å; R348-L352 WeakPolarHBondContact O-CB 3.32Å; R348-L352 VanDerWaalsContact O-CG 3.25Å; R348-L352 WeakPolarHBondContact O-CG 3.24Å; R348-L352 PolarHBondContact O-N 2.96Å; R348-L421 HydrophobicContact CB-CD2 3.63Å; R348-L421 HydrophobicContact CG-CD2 4.29Å; R348-N425 VanDerWaalsContact NH2-C 3.3Å; R348-N425 PolarHBondContact NH2-O 3.46Å; R348-G426 PolarHBondContact NH2-O 2.93Å
349	K	69.5	Low	68.3	Low	139 Å²	139	46.1 Å²	46.1	60%	0.604	25%	0.252	S	S	*	.	H	α-helix	trans	-62.8	-42.7	180	-73.1	176.1	-178.4	179	0	111.7	S345 L346 L347 L352 S353	S345-K349 WeakPolarHBondContact O-CG 3.49Å; S345-K349 PolarHBondContact O-N 3.17Å; L346-K349 WeakPolarHBondContact O-CB 3.23Å; L346-K349 PolarHBondContact O-N 2.63Å; L347-K349 PolarHBondContact O-N 2.85Å; K349-L352 PolarHBondContact O-N 2.7Å; K349-S353 PolarHBondContact O-N 3.29Å
350	V	70	Confident	68.3	Low	14 Å²	14	52 Å²	52	9%	0.085	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-47.3	179.4	176.9	0	0	0	0	110.7	L317 C320 L325 L346 L347 L352 S353 H354	L317-V350 HydrophobicContact CB-CG2 4.22Å; C320-V350 WeakPolarHBondContact SG-CG1 3.48Å; L325-V350 HydrophobicContact CD1-CB 4.17Å; L325-V350 HydrophobicContact CD1-CG1 3.59Å; L346-V350 HydrophobicContact CD1-CG2 4.23Å; L346-V350 HydrophobicContact CG-CG2 4.37Å; L346-V350 WeakPolarHBondContact O-CG2 3.23Å; L346-V350 PolarHBondContact O-N 3.31Å; L347-V350 PolarHBondContact O-N 2.79Å; V350-L352 PolarHBondContact O-N 3.21Å; V350-S353 WeakPolarHBondContact O-CB 3.46Å; V350-S353 PolarHBondContact O-N 3.16Å; V350-S353 VanDerWaalsContact O-N 3.09Å; V350-S353 PolarHBondContact O-OG 2.85Å; V350-H354 PolarHBondContact O-CD2 2.92Å; V350-H354 VanDerWaalsContact O-CD2 3.27Å; V350-H354 PolarHBondContact O-N 3.24Å
351	I	70.1	Confident	68.3	Low	3 Å²	3	56.8 Å²	56.8	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-45	177.6	-62.9	158.9	0	0	0	111.3	L325 L347 R348 S353 H354 C355 F366 F369 F430	L325-I351 HydrophobicContact CD2-CD1 4.09Å; L325-I351 HydrophobicContact CD2-CG1 3.49Å; L325-I351 VanDerWaalsContact CD2-CG1 3.49Å; L347-I351 WeakPolarHBondContact O-CD1 3.33Å; L347-I351 VanDerWaalsContact O-CG1 3.23Å; L347-I351 WeakPolarHBondContact O-CG1 3.46Å; L347-I351 PolarHBondContact O-N 3.4Å; R348-I351 PolarHBondContact O-N 3.37Å; I351-S353 PolarHBondContact O-N 3.47Å; I351-H354 WeakPolarHBondContact O-CB 3.2Å; I351-H354 PolarHBondContact O-N 3.2Å; I351-C355 PolarHBondContact O-N 3.5Å; I351-F366 HydrophobicContact CD1-CD2 4.38Å; I351-F366 HydrophobicContact CG2-CB 3.83Å; I351-F366 HydrophobicContact CG2-CD2 3.81Å; I351-F366 HydrophobicContact CG2-CG 4.31Å; I351-F369 HydrophobicContact CD1-CB 4.33Å; I351-F369 HydrophobicContact CD1-CD1 3.35Å; I351-F369 HydrophobicContact CD1-CD2 3.84Å; I351-F369 HydrophobicContact CD1-CE1 3.48Å; I351-F369 VanDerWaalsContact CD1-CE1 3.48Å; I351-F369 HydrophobicContact CD1-CE2 3.84Å; I351-F369 HydrophobicContact CD1-CG 3.57Å; I351-F369 HydrophobicContact CD1-CZ 3.72Å; I351-F369 HydrophobicContact CG1-CD2 4.5Å; I351-F369 HydrophobicContact CG1-CG 4.43Å; I351-F430 HydrophobicContact CG2-CZ 4.27Å
352	L	67.6	Low	68.5	Low	20 Å²	20	51.4 Å²	51.4	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-35.5	176.7	-74.6	170.5	0	0	0	111.2	R348 K349 V350 H354 C355 A429 F430 K433	R348-L352 HydrophobicContact CG-CD1 3.98Å; R348-L352 WeakPolarHBondContact O-CB 3.32Å; R348-L352 VanDerWaalsContact O-CG 3.25Å; R348-L352 WeakPolarHBondContact O-CG 3.24Å; R348-L352 PolarHBondContact O-N 2.96Å; K349-L352 PolarHBondContact O-N 2.7Å; V350-L352 PolarHBondContact O-N 3.21Å; L352-H354 VanDerWaalsContact C-N 3.3Å; L352-H354 PolarHBondContact O-N 2.87Å; L352-C355 WeakPolarHBondContact O-CB 3.2Å; L352-C355 PolarHBondContact O-N 3.42Å; L352-C355 VanDerWaalsContact O-N 3.16Å; L352-A429 HydrophobicContact CD1-CB 3.73Å; L352-A429 HydrophobicContact CD2-CB 4.28Å; L352-F430 HydrophobicContact CD2-CD1 3.78Å; L352-F430 HydrophobicContact CD2-CD2 3.82Å; L352-F430 HydrophobicContact CD2-CE1 3.69Å; L352-F430 HydrophobicContact CD2-CE2 3.69Å; L352-F430 HydrophobicContact CD2-CG 3.87Å; L352-F430 HydrophobicContact CD2-CZ 3.62Å; L352-F430 HydrophobicContact CG-CE2 4.41Å; L352-F430 HydrophobicContact CG-CZ 4.35Å; L352-K433 PolarHBondContact O-NZ 3.45Å
353	S	68.5	Low	68.6	Low	64 Å²	64	50.3 Å²	50.3	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-30.6	175.9	80	0	0	0	0	113.3	K349 V350 I351 C355 D356	K349-S353 PolarHBondContact O-N 3.29Å; V350-S353 WeakPolarHBondContact O-CB 3.46Å; V350-S353 PolarHBondContact O-N 3.16Å; V350-S353 VanDerWaalsContact O-N 3.09Å; V350-S353 PolarHBondContact O-OG 2.85Å; I351-S353 PolarHBondContact O-N 3.47Å; S353-C355 VanDerWaalsContact C-N 3.26Å; S353-C355 PolarHBondContact O-N 3.24Å; S353-D356 WeakPolarHBondContact O-CB 3.4Å; S353-D356 PolarHBondContact O-N 3.43Å
354	H	66.8	Low	68.2	Low	55 Å²	55	53.4 Å²	53.4	26%	0.255	28%	0.276	S	S	.	.	H	α-helix	trans	-68.1	-24.1	174.1	-74.5	-74.6	0	0	0	113.3	C320 V350 I351 L352 D356 S357	C320-H354 PolarHBondContact O-CE1 2.9Å; V350-H354 PolarHBondContact O-CD2 2.92Å; V350-H354 VanDerWaalsContact O-CD2 3.27Å; V350-H354 PolarHBondContact O-N 3.24Å; I351-H354 WeakPolarHBondContact O-CB 3.2Å; I351-H354 PolarHBondContact O-N 3.2Å; L352-H354 VanDerWaalsContact C-N 3.3Å; L352-H354 PolarHBondContact O-N 2.87Å; H354-D356 VanDerWaalsContact C-N 3.25Å; H354-D356 PolarHBondContact O-N 2.86Å; H354-S357 PolarHBondContact O-OG 3.29Å
355	C	65.8	Low	67.9	Low	1 Å²	1	53.7 Å²	53.7	1%	0.007	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.2	176.4	-60.1	0	0	0	0	113.7	I351 L352 S353 S357 G362 F430 K433	I351-C355 PolarHBondContact O-N 3.5Å; L352-C355 WeakPolarHBondContact O-CB 3.2Å; L352-C355 PolarHBondContact O-N 3.42Å; L352-C355 VanDerWaalsContact O-N 3.16Å; S353-C355 VanDerWaalsContact C-N 3.26Å; S353-C355 PolarHBondContact O-N 3.24Å; C355-S357 VanDerWaalsContact C-N 3.33Å; C355-S357 PolarHBondContact O-N 2.97Å; C355-G362 VanDerWaalsContact SG-CA 3.56Å; C355-F430 VanDerWaalsContact SG-CE1 3.56Å; C355-K433 HydrophobicContact CB-CD 4.26Å
356	D	66	Low	68.2	Low	96 Å²	96	50.9 Å²	50.9	51%	0.513	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.5	-177.6	-72.5	-40.6	0	0	0	112.7	S353 H354 K433 R437	S353-D356 WeakPolarHBondContact O-CB 3.4Å; S353-D356 PolarHBondContact O-N 3.43Å; H354-D356 VanDerWaalsContact C-N 3.25Å; H354-D356 PolarHBondContact O-N 2.86Å; D356-K433 IonicContact OD1-NZ 2.76Å; D356-K433 PolarHBondContact OD1-NZ 3.43Å; D356-K433 IonicContact OD2-NZ 3.52Å; D356-K433 PolarHBondContact OD2-NZ 3.36Å; D356-R437 PolarHBondContact O-NH2 2.91Å
357	S	63.3	Low	68	Low	106 Å²	106	49.1 Å²	49.1	74%	0.741	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-45.9	179.9	61.4	0	0	0	0	113	H354 C355	H354-S357 PolarHBondContact O-OG 3.29Å; C355-S357 VanDerWaalsContact C-N 3.33Å; C355-S357 PolarHBondContact O-N 2.97Å
358	N	67.1	Low	67.7	Low	69 Å²	69	56.4 Å²	56.4	37%	0.369	28%	0.277	S	S	.	.			trans	-147	109.2	179.7	-177.1	-39.7	0	0	0	109.9	K360 K361 G362	N358-K360 PolarHBondContact O-N 3.38Å; N358-K360 PolarHBondContact OD1-N 2.87Å; N358-K361 HydrophobicContact CB-CB 4.07Å; N358-K361 HydrophobicContact CB-CD 4.45Å; N358-K361 HydrophobicContact CB-CG 4.42Å; N358-K361 PolarHBondContact O-N 3.37Å; N358-K361 PolarHBondContact OD1-N 3.28Å; N358-G362 PolarHBondContact O-N 3Å
359	L	69.5	Low	67.7	Low	17 Å²	17	53.4 Å²	53.4	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-45.6	-173.6	-141.8	88.3	0	0	0	111.9	G362 F363 I434 R437 L440 L448	L359-G362 PolarHBondContact O-N 2.92Å; L359-F363 HydrophobicContact CB-CE2 4.43Å; L359-F363 HydrophobicContact CD2-CD2 4.48Å; L359-F363 HydrophobicContact CD2-CE2 3.57Å; L359-F363 HydrophobicContact CD2-CZ 4.3Å; L359-F363 HydrophobicContact CG-CD2 4.3Å; L359-F363 HydrophobicContact CG-CE2 3.64Å; L359-F363 HydrophobicContact CG-CZ 4.35Å; L359-F363 WeakPolarHBondContact O-CD2 3.33Å; L359-F363 WeakPolarHBondContact O-CG 3.38Å; L359-F363 PolarHBondContact O-N 2.69Å; L359-I434 HydrophobicContact CD2-CG1 3.97Å; L359-R437 HydrophobicContact CD1-CG 4.06Å; L359-L440 HydrophobicContact CD2-CD1 4.08Å; L359-L448 HydrophobicContact CD2-CD1 3.9Å
360	K	66.3	Low	67.8	Low	132 Å²	132	46.8 Å²	46.8	57%	0.574	24%	0.237	S	C	*	.	H	α-helix	trans	-65	-49.3	-179.2	-174.8	178.9	177.9	179.9	0	111.8	N358 G362 F363 E364	N358-K360 PolarHBondContact O-N 3.38Å; N358-K360 PolarHBondContact OD1-N 2.87Å; K360-G362 VanDerWaalsContact C-N 3.27Å; K360-G362 PolarHBondContact O-N 2.95Å; K360-F363 PolarHBondContact O-N 3.46Å; K360-E364 VanDerWaalsContact CE-OE1 3.24Å; K360-E364 WeakPolarHBondContact CE-OE1 3.48Å; K360-E364 PolarHBondContact O-N 3.15Å
361	K	65.1	Low	67.7	Low	138 Å²	138	49.6 Å²	49.6	60%	0.6	25%	0.248	S	C	*	.	H	α-helix	trans	-61.5	-38.2	175.5	-77	-172.5	175.4	-176.6	0	111.6	N358 S365	N358-K361 HydrophobicContact CB-CB 4.07Å; N358-K361 HydrophobicContact CB-CD 4.45Å; N358-K361 HydrophobicContact CB-CG 4.42Å; N358-K361 PolarHBondContact O-N 3.37Å; N358-K361 PolarHBondContact OD1-N 3.28Å; K361-S365 WeakPolarHBondContact O-CB 3.38Å; K361-S365 PolarHBondContact O-N 3.48Å; K361-S365 PolarHBondContact O-OG 3.4Å
362	G	67.5	Low	67.7	Low	2 Å²	2	50.6 Å²	50.6	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-40.7	175	0	0	0	0	0	112.6	C355 N358 L359 K360 S365 F366	C355-G362 VanDerWaalsContact SG-CA 3.56Å; N358-G362 PolarHBondContact O-N 3Å; L359-G362 PolarHBondContact O-N 2.92Å; K360-G362 VanDerWaalsContact C-N 3.27Å; K360-G362 PolarHBondContact O-N 2.95Å; G362-S365 WeakPolarHBondContact O-CB 3.38Å; G362-S365 PolarHBondContact O-N 3.41Å; G362-F366 WeakPolarHBondContact O-CB 3.43Å; G362-F366 PolarHBondContact O-N 3.31Å
363	F	69.5	Low	67.8	Low	15 Å²	15	49.7 Å²	49.7	7%	0.066	25%	0.25	C	C	.	.	H	α-helix	trans	-66	-49.2	174.3	-76.8	-55.9	0	0	0	113	L359 K360 S365 F366 C367 F430 I434 L448 L452	L359-F363 HydrophobicContact CB-CE2 4.43Å; L359-F363 HydrophobicContact CD2-CD2 4.48Å; L359-F363 HydrophobicContact CD2-CE2 3.57Å; L359-F363 HydrophobicContact CD2-CZ 4.3Å; L359-F363 HydrophobicContact CG-CD2 4.3Å; L359-F363 HydrophobicContact CG-CE2 3.64Å; L359-F363 HydrophobicContact CG-CZ 4.35Å; L359-F363 WeakPolarHBondContact O-CD2 3.33Å; L359-F363 WeakPolarHBondContact O-CG 3.38Å; L359-F363 PolarHBondContact O-N 2.69Å; K360-F363 PolarHBondContact O-N 3.46Å; F363-S365 PolarHBondContact O-N 2.98Å; F363-F366 WeakPolarHBondContact O-CB 3.47Å; F363-F366 PolarHBondContact O-N 3.41Å; F363-F366 VanDerWaalsContact O-N 3.12Å; F363-C367 PolarHBondContact O-N 3.36Å; F363-C367 PolarHBondContact O-SG 2.9Å; F363-C367 VanDerWaalsContact O-SG 3.38Å; F363-F430 AromaticContact CD1-CD1 3.94Å; F363-F430 HydrophobicContact CD1-CD1 3.94Å; F363-F430 HydrophobicContact CD1-CE1 4.16Å; F363-F430 HydrophobicContact CE1-CB 4.08Å; F363-F430 AromaticContact CE1-CD1 3.31Å; F363-F430 HydrophobicContact CE1-CD1 3.31Å; F363-F430 AromaticContact CE1-CE1 3.98Å; F363-F430 HydrophobicContact CE1-CE1 3.98Å; F363-F430 AromaticContact CE1-CG 3.99Å; F363-F430 HydrophobicContact CE1-CG 3.99Å; F363-F430 HydrophobicContact CZ-CD1 4.09Å; F363-I434 HydrophobicContact CE1-CD1 4.26Å; F363-I434 HydrophobicContact CE2-CD1 4.05Å; F363-I434 HydrophobicContact CE2-CG1 3.89Å; F363-I434 HydrophobicContact CZ-CD1 3.46Å; F363-I434 VanDerWaalsContact CZ-CD1 3.46Å; F363-I434 HydrophobicContact CZ-CG1 3.49Å; F363-I434 VanDerWaalsContact CZ-CG1 3.49Å; F363-L448 HydrophobicContact CD2-CD2 4.21Å; F363-L448 HydrophobicContact CE2-CD2 4.35Å; F363-L452 HydrophobicContact CD1-CD1 3.8Å; F363-L452 HydrophobicContact CD1-CD2 4.3Å; F363-L452 HydrophobicContact CE1-CD1 4.35Å; F363-L452 HydrophobicContact CE1-CD2 4.01Å
364	E	66.4	Low	67.9	Low	65 Å²	65	46.6 Å²	46.6	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-58.5	-39	176.3	-70.9	172.5	-170.6	0	0	111.1	K360 C367 R368	K360-E364 VanDerWaalsContact CE-OE1 3.24Å; K360-E364 WeakPolarHBondContact CE-OE1 3.48Å; K360-E364 PolarHBondContact O-N 3.15Å; E364-C367 PolarHBondContact O-N 3.19Å; E364-R368 WeakPolarHBondContact O-CB 3.32Å; E364-R368 VanDerWaalsContact O-CG 3.29Å; E364-R368 WeakPolarHBondContact O-CG 3.39Å; E364-R368 PolarHBondContact O-N 3.04Å
365	S	66.5	Low	68	Low	19 Å²	19	47.1 Å²	47.1	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-44.3	174.6	-63.8	0	0	0	0	112.3	K361 G362 F363 R368 F369	K361-S365 WeakPolarHBondContact O-CB 3.38Å; K361-S365 PolarHBondContact O-N 3.48Å; K361-S365 PolarHBondContact O-OG 3.4Å; G362-S365 WeakPolarHBondContact O-CB 3.38Å; G362-S365 PolarHBondContact O-N 3.41Å; F363-S365 PolarHBondContact O-N 2.98Å; S365-R368 PolarHBondContact O-N 2.69Å; S365-F369 VanDerWaalsContact O-CB 3.26Å; S365-F369 WeakPolarHBondContact O-CB 3.35Å; S365-F369 PolarHBondContact O-N 3.07Å
366	F	71.9	Confident	68.2	Low	3 Å²	3	48.2 Å²	48.2	1%	0.013	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-46	174.7	175.4	-102.5	0	0	0	111.6	I351 G362 F363 F369 M370 F430 M456	I351-F366 HydrophobicContact CD1-CD2 4.38Å; I351-F366 HydrophobicContact CG2-CB 3.83Å; I351-F366 HydrophobicContact CG2-CD2 3.81Å; I351-F366 HydrophobicContact CG2-CG 4.31Å; G362-F366 WeakPolarHBondContact O-CB 3.43Å; G362-F366 PolarHBondContact O-N 3.31Å; F363-F366 WeakPolarHBondContact O-CB 3.47Å; F363-F366 PolarHBondContact O-N 3.41Å; F363-F366 VanDerWaalsContact O-N 3.12Å; F366-F369 PolarHBondContact O-N 3.48Å; F366-M370 HydrophobicContact CD1-CG 4.29Å; F366-M370 HydrophobicContact CD2-CG 4.26Å; F366-M370 HydrophobicContact CE1-CG 3.88Å; F366-M370 HydrophobicContact CE2-CG 3.85Å; F366-M370 HydrophobicContact CE2-SD 3.98Å; F366-M370 HydrophobicContact CG-CG 4.48Å; F366-M370 HydrophobicContact CZ-CG 3.65Å; F366-M370 HydrophobicContact CZ-SD 4.04Å; F366-M370 WeakPolarHBondContact O-CB 3.29Å; F366-M370 WeakPolarHBondContact O-CG 3.4Å; F366-M370 PolarHBondContact O-N 3.49Å; F366-F430 HydrophobicContact CB-CE1 4.26Å; F366-F430 HydrophobicContact CB-CZ 3.83Å; F366-F430 HydrophobicContact CD1-CE2 4.14Å; F366-F430 HydrophobicContact CD1-CZ 4.02Å; F366-F430 HydrophobicContact CD2-CE1 4.49Å; F366-F430 AromaticContact CD2-CE2 3.55Å; F366-F430 HydrophobicContact CD2-CE2 3.55Å; F366-F430 AromaticContact CD2-CZ 3.34Å; F366-F430 HydrophobicContact CD2-CZ 3.34Å; F366-F430 HydrophobicContact CE1-CE2 4.09Å; F366-F430 HydrophobicContact CE1-CZ 4.43Å; F366-F430 AromaticContact CE2-CE2 3.5Å; F366-F430 HydrophobicContact CE2-CE2 3.5Å; F366-F430 VanDerWaalsContact CE2-CE2 3.5Å; F366-F430 AromaticContact CE2-CZ 3.84Å; F366-F430 HydrophobicContact CE2-CZ 3.84Å; F366-F430 HydrophobicContact CG-CE1 4.23Å; F366-F430 AromaticContact CG-CE2 3.87Å; F366-F430 HydrophobicContact CG-CE2 3.87Å; F366-F430 AromaticContact CG-CZ 3.44Å; F366-F430 HydrophobicContact CG-CZ 3.44Å; F366-F430 VanDerWaalsContact CG-CZ 3.44Å; F366-F430 AromaticContact CZ-CE2 3.78Å; F366-F430 HydrophobicContact CZ-CE2 3.78Å; F366-F430 HydrophobicContact CZ-CZ 4.35Å; F366-M456 HydrophobicContact CE1-CE 3.8Å; F366-M456 HydrophobicContact CE1-SD 4.34Å; F366-M456 HydrophobicContact CZ-CE 4.49Å
367	C	67.5	Low	68.4	Low	9 Å²	9	43.7 Å²	43.7	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-43.9	177.7	-66.3	0	0	0	0	111.8	F363 E364 M370 F371 L459	F363-C367 PolarHBondContact O-N 3.36Å; F363-C367 PolarHBondContact O-SG 2.9Å; F363-C367 VanDerWaalsContact O-SG 3.38Å; E364-C367 PolarHBondContact O-N 3.19Å; C367-M370 PolarHBondContact O-N 3.23Å; C367-F371 PolarHBondContact O-N 3.19Å; C367-L459 WeakPolarHBondContact O-CD1 3.49Å
368	R	66.5	Low	68.6	Low	154 Å²	154	38.7 Å²	38.7	58%	0.581	18%	0.177	S	C	*	.	H	α-helix	trans	-60.7	-45.2	174.3	-75.3	176.6	-175.8	-170.4	2.3	111.9	E364 S365 F371 V372	E364-R368 WeakPolarHBondContact O-CB 3.32Å; E364-R368 VanDerWaalsContact O-CG 3.29Å; E364-R368 WeakPolarHBondContact O-CG 3.39Å; E364-R368 PolarHBondContact O-N 3.04Å; S365-R368 PolarHBondContact O-N 2.69Å; R368-F371 WeakPolarHBondContact O-CB 3.49Å; R368-F371 PolarHBondContact O-N 3.01Å; R368-V372 WeakPolarHBondContact O-CG2 3.35Å; R368-V372 PolarHBondContact O-N 3.01Å
369	F	69.8	Low	68.6	Low	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-46.1	176.1	170.8	-84.6	0	0	0	111.4	L325 T329 L347 I351 S365 F366 F371 V372 V373 L421	L325-F369 HydrophobicContact CD2-CD2 3.34Å; L325-F369 HydrophobicContact CD2-CE2 3.77Å; L325-F369 HydrophobicContact CD2-CG 4.15Å; L325-F369 HydrophobicContact CG-CD2 4.02Å; L325-F369 HydrophobicContact CG-CE2 4.08Å; T329-F369 HydrophobicContact CG2-CD2 4.38Å; T329-F369 HydrophobicContact CG2-CE2 3.82Å; T329-F369 HydrophobicContact CG2-CZ 4.08Å; T329-F369 WeakPolarHBondContact OG1-CE2 3.38Å; L347-F369 HydrophobicContact CB-CE2 4.46Å; L347-F369 HydrophobicContact CB-CZ 3.97Å; L347-F369 HydrophobicContact CD1-CE2 4.26Å; L347-F369 HydrophobicContact CD1-CZ 3.85Å; L347-F369 HydrophobicContact CD2-CE2 4.27Å; L347-F369 HydrophobicContact CG-CZ 4.32Å; I351-F369 HydrophobicContact CD1-CB 4.33Å; I351-F369 HydrophobicContact CD1-CD1 3.35Å; I351-F369 HydrophobicContact CD1-CD2 3.84Å; I351-F369 HydrophobicContact CD1-CE1 3.48Å; I351-F369 VanDerWaalsContact CD1-CE1 3.48Å; I351-F369 HydrophobicContact CD1-CE2 3.84Å; I351-F369 HydrophobicContact CD1-CG 3.57Å; I351-F369 HydrophobicContact CD1-CZ 3.72Å; I351-F369 HydrophobicContact CG1-CD2 4.5Å; I351-F369 HydrophobicContact CG1-CG 4.43Å; S365-F369 VanDerWaalsContact O-CB 3.26Å; S365-F369 WeakPolarHBondContact O-CB 3.35Å; S365-F369 PolarHBondContact O-N 3.07Å; F366-F369 PolarHBondContact O-N 3.48Å; F369-F371 VanDerWaalsContact C-N 3.27Å; F369-F371 PolarHBondContact O-N 3.45Å; F369-V372 PolarHBondContact O-N 3.48Å; F369-V372 VanDerWaalsContact O-N 3.14Å; F369-V373 HydrophobicContact CD1-CG2 4.11Å; F369-V373 HydrophobicContact CE1-CG2 3.53Å; F369-V373 HydrophobicContact CZ-CG2 3.78Å; F369-V373 PolarHBondContact O-N 3.35Å; F369-L421 HydrophobicContact CE1-CD1 3.77Å; F369-L421 HydrophobicContact CZ-CD1 4.2Å
370	M	71.2	Confident	68.5	Low	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-34.4	177.7	-71.8	-52.2	-37.9	0	0	111.8	F366 C367 V372 V373 L374 L421 L422 M456 L459	F366-M370 HydrophobicContact CD1-CG 4.29Å; F366-M370 HydrophobicContact CD2-CG 4.26Å; F366-M370 HydrophobicContact CE1-CG 3.88Å; F366-M370 HydrophobicContact CE2-CG 3.85Å; F366-M370 HydrophobicContact CE2-SD 3.98Å; F366-M370 HydrophobicContact CG-CG 4.48Å; F366-M370 HydrophobicContact CZ-CG 3.65Å; F366-M370 HydrophobicContact CZ-SD 4.04Å; F366-M370 WeakPolarHBondContact O-CB 3.29Å; F366-M370 WeakPolarHBondContact O-CG 3.4Å; F366-M370 PolarHBondContact O-N 3.49Å; C367-M370 PolarHBondContact O-N 3.23Å; M370-V372 VanDerWaalsContact C-N 3.33Å; M370-V373 HydrophobicContact CE-CB 4.21Å; M370-V373 HydrophobicContact CE-CG1 4.26Å; M370-V373 PolarHBondContact O-N 3.3Å; M370-L374 VanDerWaalsContact O-CB 3.23Å; M370-L374 WeakPolarHBondContact O-CB 3.46Å; M370-L374 WeakPolarHBondContact O-CG 3.5Å; M370-L374 PolarHBondContact O-N 3.06Å; M370-L421 HydrophobicContact CE-CB 4.24Å; M370-L421 HydrophobicContact SD-CB 3.82Å; M370-L421 HydrophobicContact SD-CD1 4.38Å; M370-L422 HydrophobicContact CB-CD2 4.27Å; M370-L422 HydrophobicContact CE-CD1 4.04Å; M370-L422 HydrophobicContact CE-CD2 3.26Å; M370-L422 HydrophobicContact CE-CG 3.5Å; M370-L422 VanDerWaalsContact CE-CG 3.5Å; M370-L422 HydrophobicContact CG-CD2 3.69Å; M370-L422 HydrophobicContact SD-CD2 3.66Å; M370-L422 HydrophobicContact SD-CG 4.39Å; M370-M456 HydrophobicContact CB-CE 4.2Å; M370-M456 HydrophobicContact CG-CE 4.04Å; M370-L459 HydrophobicContact CB-CD2 3.75Å
371	F	68.9	Low	68.4	Low	73 Å²	73	35 Å²	35	32%	0.32	16%	0.161	S	C	.	.	H	α-helix	trans	-59.8	-46.8	172.9	-169.3	-104.7	0	0	0	110.4	C367 R368 F369 L374 E375 L459 A462	C367-F371 PolarHBondContact O-N 3.19Å; R368-F371 WeakPolarHBondContact O-CB 3.49Å; R368-F371 PolarHBondContact O-N 3.01Å; F369-F371 VanDerWaalsContact C-N 3.27Å; F369-F371 PolarHBondContact O-N 3.45Å; F371-L374 PolarHBondContact O-N 3.15Å; F371-E375 HydrophobicContact CE1-CB 4.45Å; F371-E375 WeakPolarHBondContact CE1-OE2 3.39Å; F371-E375 WeakPolarHBondContact O-CB 3.45Å; F371-E375 PolarHBondContact O-N 2.81Å; F371-L459 HydrophobicContact CB-CD1 3.44Å; F371-L459 VanDerWaalsContact CB-CD1 3.44Å; F371-L459 HydrophobicContact CB-CG 4.45Å; F371-L459 HydrophobicContact CD2-CD1 3.66Å; F371-L459 HydrophobicContact CD2-CG 4.2Å; F371-L459 HydrophobicContact CG-CD1 4.02Å; F371-A462 HydrophobicContact CE2-CB 4.27Å
372	V	69.6	Low	68.3	Low	25 Å²	25	32.3 Å²	32.3	15%	0.152	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-43.1	178.9	172.5	0	0	0	0	111.7	L326 T329 C330 R368 F369 M370 L374 E375 M376	L326-V372 HydrophobicContact CD2-CB 4.11Å; L326-V372 HydrophobicContact CD2-CG2 3.68Å; T329-V372 HydrophobicContact CG2-CG1 4.41Å; C330-V372 WeakPolarHBondContact SG-CG1 3.45Å; R368-V372 WeakPolarHBondContact O-CG2 3.35Å; R368-V372 PolarHBondContact O-N 3.01Å; F369-V372 PolarHBondContact O-N 3.48Å; F369-V372 VanDerWaalsContact O-N 3.14Å; M370-V372 VanDerWaalsContact C-N 3.33Å; V372-L374 VanDerWaalsContact C-N 3.34Å; V372-L374 PolarHBondContact O-N 3.32Å; V372-E375 PolarHBondContact O-N 3.28Å; V372-M376 HydrophobicContact CG1-CG 3.98Å; V372-M376 VanDerWaalsContact O-CB 3.23Å; V372-M376 WeakPolarHBondContact O-CB 3.32Å; V372-M376 WeakPolarHBondContact O-CG 3.36Å; V372-M376 PolarHBondContact O-N 2.72Å
373	V	70.7	Confident	67.8	Low	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.2	-52.2	173.9	171.3	0	0	0	0	109.8	T329 F369 M370 S377 F419	T329-V373 HydrophobicContact CG2-CG2 3.6Å; F369-V373 HydrophobicContact CD1-CG2 4.11Å; F369-V373 HydrophobicContact CE1-CG2 3.53Å; F369-V373 HydrophobicContact CZ-CG2 3.78Å; F369-V373 PolarHBondContact O-N 3.35Å; M370-V373 HydrophobicContact CE-CB 4.21Å; M370-V373 HydrophobicContact CE-CG1 4.26Å; M370-V373 PolarHBondContact O-N 3.3Å; V373-S377 WeakPolarHBondContact O-CB 3.33Å; V373-S377 PolarHBondContact O-N 3.4Å; V373-S377 PolarHBondContact O-OG 3.36Å; V373-F419 HydrophobicContact CG1-CD1 4.45Å; V373-F419 HydrophobicContact CG1-CE1 4.38Å
374	L	70.7	Confident	67	Low	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-43.1	-178.5	-85.1	173.9	0	0	0	113.4	M370 F371 V372 S378 F419 L459 T463 F467 I479	M370-L374 VanDerWaalsContact O-CB 3.23Å; M370-L374 WeakPolarHBondContact O-CB 3.46Å; M370-L374 WeakPolarHBondContact O-CG 3.5Å; M370-L374 PolarHBondContact O-N 3.06Å; F371-L374 PolarHBondContact O-N 3.15Å; V372-L374 VanDerWaalsContact C-N 3.34Å; V372-L374 PolarHBondContact O-N 3.32Å; L374-S378 WeakPolarHBondContact O-CB 3.44Å; L374-S378 PolarHBondContact O-N 2.89Å; L374-F419 HydrophobicContact CD2-CD1 3.94Å; L374-F419 HydrophobicContact CD2-CE1 3.46Å; L374-F419 VanDerWaalsContact CD2-CE1 3.46Å; L374-F419 HydrophobicContact CD2-CZ 4.12Å; L374-F419 HydrophobicContact CG-CE1 4.28Å; L374-L459 HydrophobicContact CD1-CD2 3.34Å; L374-L459 HydrophobicContact CD1-CG 3.9Å; L374-T463 HydrophobicContact CB-CG2 3.52Å; L374-T463 HydrophobicContact CD2-CG2 4.05Å; L374-T463 HydrophobicContact CG-CG2 4.24Å; L374-T463 WeakPolarHBondContact O-CG2 3.48Å; L374-F467 HydrophobicContact CD2-CE2 4.28Å; L374-I479 HydrophobicContact CD2-CD1 3.62Å; L374-I479 HydrophobicContact CD2-CG1 4.17Å
375	E	68.3	Low	65.7	Low	65 Å²	65	40.7 Å²	40.7	30%	0.304	21%	0.212	S	C	.	.	H	α-helix	trans	-65.6	-49	177.2	176.4	162.1	-128.8	0	0	111.3	F371 V372 S378 L379 K466	F371-E375 HydrophobicContact CE1-CB 4.45Å; F371-E375 WeakPolarHBondContact CE1-OE2 3.39Å; F371-E375 WeakPolarHBondContact O-CB 3.45Å; F371-E375 PolarHBondContact O-N 2.81Å; V372-E375 PolarHBondContact O-N 3.28Å; E375-S378 WeakPolarHBondContact O-CB 3.32Å; E375-S378 PolarHBondContact O-N 3.17Å; E375-S378 PolarHBondContact O-OG 2.91Å; E375-L379 PolarHBondContact O-N 3.17Å; E375-L379 VanDerWaalsContact O-N 3.17Å; E375-K466 IonicContact OE1-NZ 2.7Å; E375-K466 PolarHBondContact OE1-NZ 2.94Å
376	M	69	Low	64.1	Low	25 Å²	25	45.3 Å²	45.3	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-42.6	177.1	-66.2	-62.6	-79.3	0	0	111	C330 M333 V372 S378 L379 Y380	C330-M376 HydrophobicContact CB-CE 3.99Å; M333-M376 HydrophobicContact CB-CB 3.77Å; M333-M376 HydrophobicContact CB-CG 4.49Å; M333-M376 HydrophobicContact CG-CB 4.05Å; V372-M376 HydrophobicContact CG1-CG 3.98Å; V372-M376 VanDerWaalsContact O-CB 3.23Å; V372-M376 WeakPolarHBondContact O-CB 3.32Å; V372-M376 WeakPolarHBondContact O-CG 3.36Å; V372-M376 PolarHBondContact O-N 2.72Å; M376-S378 VanDerWaalsContact C-N 3.26Å; M376-S378 PolarHBondContact O-N 2.73Å; M376-L379 WeakPolarHBondContact O-CA 2.99Å; M376-L379 WeakPolarHBondContact O-CB 3.2Å; M376-L379 PolarHBondContact O-N 3.17Å; M376-L379 HydrophobicContact SD-CD1 3.93Å; M376-Y380 HydrophobicContact CE-CE2 3.72Å; M376-Y380 WeakPolarHBondContact O-CD2 3.37Å; M376-Y380 PolarHBondContact O-N 3.06Å
377	S	72.1	Confident	62.4	Low	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-53.9	-44	171.8	-71.4	0	0	0	0	112	M333 V373 L379 Y380 A381 I415 F419	M333-S377 WeakPolarHBondContact CE-OG 3.5Å; V373-S377 WeakPolarHBondContact O-CB 3.33Å; V373-S377 PolarHBondContact O-N 3.4Å; V373-S377 PolarHBondContact O-OG 3.36Å; S377-L379 PolarHBondContact O-N 3.24Å; S377-Y380 PolarHBondContact O-N 2.98Å; S377-A381 VanDerWaalsContact O-CB 3.26Å; S377-A381 WeakPolarHBondContact O-CB 3.43Å; S377-A381 PolarHBondContact O-N 3.16Å; S377-I415 VanDerWaalsContact CB-CG2 3.47Å; S377-I415 WeakPolarHBondContact OG-CG2 3.15Å; S377-F419 WeakPolarHBondContact OG-CE1 3.15Å
378	S	66.9	Low	60.6	Low	2 Å²	2	55.7 Å²	55.7	1%	0.014	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-30	177.7	78.8	0	0	0	0	112.3	L374 E375 M376 F467 R470	L374-S378 WeakPolarHBondContact O-CB 3.44Å; L374-S378 PolarHBondContact O-N 2.89Å; E375-S378 WeakPolarHBondContact O-CB 3.32Å; E375-S378 PolarHBondContact O-N 3.17Å; E375-S378 PolarHBondContact O-OG 2.91Å; M376-S378 VanDerWaalsContact C-N 3.26Å; M376-S378 PolarHBondContact O-N 2.73Å; S378-F467 VanDerWaalsContact CA-CE1 3.49Å; S378-R470 WeakPolarHBondContact O-CD 3.37Å; S378-R470 PolarHBondContact O-NE 3.1Å; S378-R470 PolarHBondContact O-NH1 3.11Å
379	L	66.9	Low	58.8	Low	86 Å²	86	57.3 Å²	57.3	45%	0.45	31%	0.314	S	S	.	.	H	α-helix	trans	-73	-32.4	178.1	-68	172.7	0	0	0	113.6	E375 M376 S377 R470	E375-L379 PolarHBondContact O-N 3.17Å; E375-L379 VanDerWaalsContact O-N 3.17Å; M376-L379 WeakPolarHBondContact O-CA 2.99Å; M376-L379 WeakPolarHBondContact O-CB 3.2Å; M376-L379 PolarHBondContact O-N 3.17Å; M376-L379 HydrophobicContact SD-CD1 3.93Å; S377-L379 PolarHBondContact O-N 3.24Å; L379-R470 VanDerWaalsContact CA-NH1 3.28Å; L379-R470 PolarHBondContact O-NH1 3.03Å
380	Y	67.5	Low	56.9	Low	51 Å²	51	66.2 Å²	66.2	20%	0.2	36%	0.355	C	S	.	.	H	α-helix	trans	-107.9	-11.9	-174.1	-61.5	-72.6	0	0	0	115.2	M333 E334 M376 S377 E382 C407 V410	M333-Y380 WeakPolarHBondContact O-CD2 3.24Å; E334-Y380 WeakPolarHBondContact CG-OH 3.36Å; M376-Y380 HydrophobicContact CE-CE2 3.72Å; M376-Y380 WeakPolarHBondContact O-CD2 3.37Å; M376-Y380 PolarHBondContact O-N 3.06Å; S377-Y380 PolarHBondContact O-N 2.98Å; Y380-E382 PolarHBondContact O-N 3.42Å; Y380-C407 HydrophobicContact CD1-CB 4.24Å; Y380-C407 HydrophobicContact CE1-CB 4.08Å; Y380-V410 PolarHBondContact O-N 2.63Å
381	A	64.6	Low	54.9	Low	4 Å²	4	71.9 Å²	71.9	3%	0.033	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-62.5	131.3	178.4	0	0	0	0	0	111.4	S377 P383 I415 F467	S377-A381 VanDerWaalsContact O-CB 3.26Å; S377-A381 WeakPolarHBondContact O-CB 3.43Å; S377-A381 PolarHBondContact O-N 3.16Å; A381-P383 WeakPolarHBondContact O-CD 3.25Å; A381-I415 HydrophobicContact CB-CD1 3.8Å; A381-F467 HydrophobicContact CB-CD1 4.37Å; A381-F467 HydrophobicContact CB-CE1 3.89Å
382	E	62	Low	53.6	Low	80 Å²	80	77.4 Å²	77.4	37%	0.374	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-73.2	122	175.8	-167.7	172.8	-169.6	0	0	110.8	Y380 K384 P409 V410	Y380-E382 PolarHBondContact O-N 3.42Å; E382-K384 PolarHBondContact O-N 3.47Å; E382-P409 HydrophobicContact CB-CB 3.78Å; E382-P409 HydrophobicContact CG-CB 3.61Å; E382-P409 HydrophobicContact CG-CG 4.42Å; E382-V410 PolarHBondContact N-O 2.84Å
383	P	56.8	Low	51.7	Low	73 Å²	73	81.2 Å²	81.2	47%	0.474	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-63.5	129.5	169.7	26.2	-32.7	0	0	0	109.3	A381 G385 R470	A381-P383 WeakPolarHBondContact O-CD 3.25Å; P383-G385 PolarHBondContact O-N 3.27Å; P383-R470 VanDerWaalsContact CB-O 3.24Å; P383-R470 WeakPolarHBondContact CB-O 3.48Å
384	K	52.4	Low	49.8	Very low	118 Å²	118	92.6 Å²	92.6	51%	0.513	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-67	130.9	163.6	-70.1	-176.3	178.4	-179	0	107.5	E382 D474	E382-K384 PolarHBondContact O-N 3.47Å; K384-D474 IonicContact NZ-OD2 2.81Å; K384-D474 PolarHBondContact NZ-OD2 2.94Å
385	G	38.9	Very low	47.7	Very low	68 Å²	68	98.8 Å²	98.8	70%	0.701	53%	0.53	S	S	*	.	S	Bend	trans	-51.2	157.9	176.8	0	0	0	0	0	112.5	P383	P383-G385 PolarHBondContact O-N 3.27Å
386	D	33.9	Very low	45.7	Very low	115 Å²	115	101.6 Å²	101.6	62%	0.615	55%	0.551	S	S	*	*			trans	-31.9	135.9	-164.6	-73.3	-68.2	0	0	0	116.1	V388 R471	D386-V388 PolarHBondContact O-N 3.31Å; D386-R471 IonicContact OD1-CZ 3.6Å; D386-R471 VanDerWaalsContact OD1-CZ 3.29Å; D386-R471 IonicContact OD1-NH1 3.42Å; D386-R471 PolarHBondContact OD1-NH1 2.84Å; D386-R471 IonicContact OD1-NH2 2.9Å; D386-R471 PolarHBondContact OD1-NH2 3.45Å; D386-R471 IonicContact OD2-NH1 3.73Å
387	P	35.6	Very low	43.7	Very low	81 Å²	81	106.5 Å²	106.5	53%	0.526	58%	0.582	S	S	.	*			trans	-60.7	129.3	172.1	26.9	-31.7	0	0	0	109.1	E389	P387-E389 PolarHBondContact O-N 3.4Å
388	V	30.5	Very low	41.5	Very low	150 Å²	150	114.4 Å²	114.4	91%	0.909	62%	0.619	S	S	*	*			trans	-46.4	111.3	177.1	178.7	0	0	0	0	110.6	D386	D386-V388 PolarHBondContact O-N 3.31Å
389	E	28.7	Very low	39.6	Very low	188 Å²	188	119.9 Å²	119.9	88%	0.879	66%	0.655	S	S	*	*			trans	-112.4	135.7	157	-108.8	-176.3	178.2	0	0	109.7	P387	P387-E389 PolarHBondContact O-N 3.4Å
390	E	29.8	Very low	37.7	Very low	187 Å²	187	122.2 Å²	122.2	87%	0.874	67%	0.672	S	S	*	*			trans	-19.2	132.5	-179	-60.5	175.4	162.4	0	0	120.4
391	S	29.3	Very low	36	Very low	118 Å²	118	125.8 Å²	125.8	83%	0.825	69%	0.694	S	S	*	*				-175.1	149.6	119.2	50.9	0	0	0	0	113.4	S393	S391-S393 PolarHBondContact O-N 2.99Å
392	E	40.8	Very low	34.4	Very low	189 Å²	189	132.3 Å²	132.3	88%	0.883	73%	0.729	S	S	*	*	S	Bend	trans	-63.5	123.8	-172.9	-64	-179.8	161.5	0	0	112.2
393	S	30.7	Very low	33	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	75%	0.752	S	S	*	*	S	Bend	trans	77.7	81.8	178	68.5	0	0	0	0	117.9	S391	S391-S393 PolarHBondContact O-N 2.99Å
394	W	29.4	Very low	31.8	Very low	239 Å²	239	141.1 Å²	141.1	91%	0.905	77%	0.768	S	S	*	*			trans	50.7	106.5	147.3	-55.5	85.1	0	0	0	119.2
395	V	26.6	Very low	31	Very low	131 Å²	131	140.2 Å²	140.2	79%	0.794	77%	0.773	S	S	*	*			trans	-135.3	128.1	145.8	179.2	0	0	0	0	109.3
396	V	27.9	Very low	30.8	Very low	124 Å²	124	149 Å²	149	75%	0.752	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85.4	122.8	171.9	175.5	0	0	0	0	107.8
397	V	25.9	Very low	31.1	Very low	128 Å²	128	146.3 Å²	146.3	78%	0.776	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-102.7	117.4	175.9	-177.4	0	0	0	0	109
398	E	25.9	Very low	31.5	Very low	166 Å²	166	145 Å²	145	78%	0.776	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-79.3	137.7	170.9	-76.1	-175.7	154.5	0	0	110.7	V400	E398-V400 PolarHBondContact O-N 3.49Å
399	P	28.1	Very low	32.6	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-67.1	119.1	178.8	25.3	-31.7	0	0	0	111.2	L401	P399-L401 PolarHBondContact O-N 2.93Å
400	V	27.1	Very low	33.9	Very low	136 Å²	136	132.1 Å²	132.1	82%	0.824	71%	0.711	S	S	*	*			trans	-78.7	105	169.7	-177.6	0	0	0	0	108.5	E398 N402	E398-V400 PolarHBondContact O-N 3.49Å; V400-N402 PolarHBondContact O-N 3.41Å
401	L	30.2	Very low	35.4	Very low	126 Å²	126	125.4 Å²	125.4	66%	0.66	69%	0.685	S	S	*	*			trans	-57.1	106.4	171.8	-79.9	152.7	0	0	0	110.1	P399 Q403	P399-L401 PolarHBondContact O-N 2.93Å; L401-Q403 PolarHBondContact O-N 3.33Å; L401-Q403 VanDerWaalsContact O-N 3.15Å
402	N	30.9	Very low	36.9	Very low	141 Å²	141	120.3 Å²	120.3	75%	0.754	65%	0.648	S	S	*	*			trans	-70.3	107.9	172.2	-126.6	-8.3	0	0	0	108.7	V400 D404	V400-N402 PolarHBondContact O-N 3.41Å; N402-D404 PolarHBondContact O-N 3.42Å; N402-D404 VanDerWaalsContact O-N 3.16Å
403	Q	33.7	Very low	37.9	Very low	183 Å²	183	118.1 Å²	118.1	86%	0.855	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-0.5	-170.1	-72.1	-174.9	-5.3	0	0	115.2	L401	L401-Q403 PolarHBondContact O-N 3.33Å; L401-Q403 VanDerWaalsContact O-N 3.15Å
404	D	30.6	Very low	39.4	Very low	154 Å²	154	114.7 Å²	114.7	82%	0.824	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	5.8	-171.9	-79.2	-28.6	0	0	0	116.1	N402	N402-D404 PolarHBondContact O-N 3.42Å; N402-D404 VanDerWaalsContact O-N 3.16Å
405	T	37.1	Very low	41.2	Very low	99 Å²	99	103.4 Å²	103.4	61%	0.607	57%	0.569	S	S	*	*			trans	-92	109.8	168.7	44.8	0	0	0	0	110.3	C407	T405-C407 PolarHBondContact O-N 3.03Å
406	R	35.1	Very low	43.1	Very low	254 Å²	254	101 Å²	101	96%	0.958	55%	0.546	S	S	*	.	S	Bend	trans	-60.1	0.4	-178.6	-76.3	-175.3	178.5	-178.1	-0	115.5
407	C	38.5	Very low	44.9	Very low	57 Å²	57	98.4 Å²	98.4	39%	0.385	53%	0.528	S	S	.	.	S	Bend	trans	-132	121.1	172.5	-60.5	0	0	0	0	106.2	Y380 T405	Y380-C407 HydrophobicContact CD1-CB 4.24Å; Y380-C407 HydrophobicContact CE1-CB 4.08Å; T405-C407 PolarHBondContact O-N 3.03Å
408	G	44.1	Very low	46.9	Very low	53 Å²	53	92.3 Å²	92.3	55%	0.546	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-54.3	146.9	-179.3	0	0	0	0	0	111.5	V410	G408-V410 PolarHBondContact O-N 3.39Å
409	P	54.1	Low	48.8	Very low	63 Å²	63	84.4 Å²	84.4	41%	0.409	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-60.1	134.6	-172.8	21.6	-31	0	0	0	111.7	E382	E382-P409 HydrophobicContact CB-CB 3.78Å; E382-P409 HydrophobicContact CG-CB 3.61Å; E382-P409 HydrophobicContact CG-CG 4.42Å
410	V	56.7	Low	50.5	Low	5 Å²	5	82.1 Å²	82.1	3%	0.03	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-95.2	125.5	177.2	-179.6	0	0	0	0	108.8	P336 W337 Y380 E382 G408 T414 I415	P336-V410 HydrophobicContact CG-CB 4.28Å; P336-V410 HydrophobicContact CG-CG1 3.43Å; P336-V410 VanDerWaalsContact CG-CG1 3.43Å; P336-V410 HydrophobicContact CG-CG2 3.88Å; W337-V410 HydrophobicContact CZ3-CG2 4.1Å; Y380-V410 PolarHBondContact O-N 2.63Å; E382-V410 PolarHBondContact N-O 2.84Å; G408-V410 PolarHBondContact O-N 3.39Å; V410-T414 HydrophobicContact CG1-CG2 4.21Å; V410-I415 HydrophobicContact CB-CD1 4.28Å; V410-I415 HydrophobicContact CB-CG1 4.46Å; V410-I415 HydrophobicContact CG1-CD1 4Å; V410-I415 HydrophobicContact CG1-CG1 3.65Å
411	S	61.3	Low	52.2	Low	47 Å²	47	76 Å²	76	33%	0.329	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-61.3	139.3	175.8	71.3	0	0	0	0	111.5	E413 T414	S411-E413 PolarHBondContact O-N 3Å; S411-T414 WeakPolarHBondContact O-CB 3.26Å; S411-T414 PolarHBondContact O-N 3.15Å; S411-T414 PolarHBondContact OG-OG1 2.95Å
412	E	60	Low	53.6	Low	11 Å²	11	70 Å²	70	5%	0.051	37%	0.367	C	S	.	.	H	α-helix	trans	-52	-34.8	178.8	-67.7	-170.3	125.9	0	0	112.3	T414 I415 R416 C472 D474 T475	E412-T414 VanDerWaalsContact C-N 3.34Å; E412-T414 PolarHBondContact O-N 3.34Å; E412-I415 PolarHBondContact O-N 2.81Å; E412-R416 WeakPolarHBondContact O-CG 3.39Å; E412-R416 PolarHBondContact O-N 2.63Å; E412-C472 WeakPolarHBondContact OE1-CA 3.42Å; E412-C472 WeakPolarHBondContact OE1-CB 3.1Å; E412-D474 WeakPolarHBondContact OE2-CB 3.48Å; E412-T475 WeakPolarHBondContact CG-OG1 3.42Å; E412-T475 WeakPolarHBondContact OE1-CB 3.29Å; E412-T475 PolarHBondContact OE1-N 3.29Å; E412-T475 PolarHBondContact OE1-OG1 3.24Å
413	E	62.2	Low	55	Low	143 Å²	143	66 Å²	66	67%	0.668	35%	0.345	S	S	*	.	H	α-helix	trans	-60.9	-37.5	178.6	-66.3	169.2	167.1	0	0	113.4	S411 I415 R416	S411-E413 PolarHBondContact O-N 3Å; E413-I415 VanDerWaalsContact C-N 3.3Å; E413-R416 PolarHBondContact O-N 2.92Å
414	T	63.1	Low	56	Low	32 Å²	32	60.6 Å²	60.6	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-37	178.4	-53.9	0	0	0	0	110.5	P336 W337 V340 V410 S411 E412	P336-T414 HydrophobicContact CB-CG2 4.25Å; P336-T414 HydrophobicContact CG-CG2 4.2Å; W337-T414 HydrophobicContact CB-CG2 4.02Å; V340-T414 HydrophobicContact CG2-CG2 4.45Å; V410-T414 HydrophobicContact CG1-CG2 4.21Å; S411-T414 WeakPolarHBondContact O-CB 3.26Å; S411-T414 PolarHBondContact O-N 3.15Å; S411-T414 PolarHBondContact OG-OG1 2.95Å; E412-T414 VanDerWaalsContact C-N 3.34Å; E412-T414 PolarHBondContact O-N 3.34Å
415	I	67.1	Low	57.1	Low	2 Å²	2	57.6 Å²	57.6	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-73.6	-33.8	-179.8	-58	178.7	0	0	0	111.2	M333 S377 A381 V410 E412 E413 L417 Y418 F419	M333-I415 HydrophobicContact CE-CG2 4.42Å; S377-I415 VanDerWaalsContact CB-CG2 3.47Å; S377-I415 WeakPolarHBondContact OG-CG2 3.15Å; A381-I415 HydrophobicContact CB-CD1 3.8Å; V410-I415 HydrophobicContact CB-CD1 4.28Å; V410-I415 HydrophobicContact CB-CG1 4.46Å; V410-I415 HydrophobicContact CG1-CD1 4Å; V410-I415 HydrophobicContact CG1-CG1 3.65Å; E412-I415 PolarHBondContact O-N 2.81Å; E413-I415 VanDerWaalsContact C-N 3.3Å; I415-L417 PolarHBondContact O-N 2.92Å; I415-L417 VanDerWaalsContact O-N 3.11Å; I415-Y418 WeakPolarHBondContact O-CB 3.22Å; I415-Y418 PolarHBondContact O-N 3.34Å; I415-F419 HydrophobicContact CB-CE2 4.49Å; I415-F419 HydrophobicContact CG2-CD2 4.46Å; I415-F419 HydrophobicContact CG2-CE1 4.08Å; I415-F419 HydrophobicContact CG2-CE2 3.64Å; I415-F419 HydrophobicContact CG2-CZ 3.44Å; I415-F419 VanDerWaalsContact CG2-CZ 3.44Å; I415-F419 PolarHBondContact O-N 2.99Å
416	R	64.6	Low	58.2	Low	81 Å²	81	52.9 Å²	52.9	31%	0.306	28%	0.28	S	S	.	.	H	α-helix	trans	-54.1	-33.2	-179.3	-78.8	178.6	-171.1	180	5.5	114	E412 E413 Y418 F419 N420 D474	E412-R416 WeakPolarHBondContact O-CG 3.39Å; E412-R416 PolarHBondContact O-N 2.63Å; E413-R416 PolarHBondContact O-N 2.92Å; R416-Y418 PolarHBondContact O-N 3.47Å; R416-F419 HydrophobicContact CG-CD2 4.46Å; R416-F419 CarbonylContact O-C 3.5Å; R416-F419 WeakPolarHBondContact O-CA 3.27Å; R416-F419 WeakPolarHBondContact O-CB 3.44Å; R416-F419 PolarHBondContact O-N 3.07Å; R416-N420 PolarHBondContact O-N 3.38Å; R416-N420 VanDerWaalsContact O-N 3.09Å; R416-D474 IonicContact NH2-OD2 2.9Å
417	L	66.6	Low	59.3	Low	69 Å²	69	40.9 Å²	40.9	36%	0.361	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-26.7	177.8	-72	172.2	0	0	0	113	V340 I415 N420	V340-L417 HydrophobicContact CB-CD1 4.13Å; V340-L417 HydrophobicContact CG1-CD1 3.78Å; V340-L417 HydrophobicContact CG2-CB 3.87Å; V340-L417 HydrophobicContact CG2-CD1 3.37Å; V340-L417 HydrophobicContact CG2-CG 4.22Å; I415-L417 PolarHBondContact O-N 2.92Å; I415-L417 VanDerWaalsContact O-N 3.11Å; L417-N420 WeakPolarHBondContact O-CB 3.21Å
418	Y	68.8	Low	60.6	Low	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-76.7	-30.9	170.2	-72.2	-92.9	0	0	0	112	I332 M333 P336 V340 I343 P344 L347 I415 R416 N420 L421	I332-Y418 VanDerWaalsContact CG1-OH 3.31Å; I332-Y418 WeakPolarHBondContact CG1-OH 3.49Å; I332-Y418 HydrophobicContact CG2-CE1 4.12Å; M333-Y418 HydrophobicContact SD-CD1 3.91Å; M333-Y418 HydrophobicContact SD-CD2 4.1Å; M333-Y418 HydrophobicContact SD-CE1 4.06Å; M333-Y418 HydrophobicContact SD-CE2 4.24Å; M333-Y418 HydrophobicContact SD-CG 3.93Å; P336-Y418 HydrophobicContact CB-CD2 4.4Å; P336-Y418 HydrophobicContact CB-CE2 3.77Å; V340-Y418 HydrophobicContact CG2-CE2 4.42Å; I343-Y418 HydrophobicContact CG2-CE1 4.23Å; P344-Y418 HydrophobicContact CG-CD1 4.18Å; P344-Y418 HydrophobicContact CG-CE1 4.15Å; P344-Y418 HydrophobicContact CG-CE2 4.46Å; P344-Y418 HydrophobicContact CG-CG 4.36Å; L347-Y418 HydrophobicContact CD1-CE1 4.31Å; I415-Y418 WeakPolarHBondContact O-CB 3.22Å; I415-Y418 PolarHBondContact O-N 3.34Å; R416-Y418 PolarHBondContact O-N 3.47Å; Y418-N420 PolarHBondContact O-N 3.49Å; Y418-L421 WeakPolarHBondContact O-CB 3.35Å; Y418-L421 WeakPolarHBondContact O-CD1 3.42Å; Y418-L421 WeakPolarHBondContact O-CG 3.46Å; Y418-L421 PolarHBondContact O-N 2.65Å; Y418-L421 VanDerWaalsContact O-N 3.17Å
419	F	65.5	Low	61.5	Low	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-72.4	-15.1	172.8	-53.7	-37.1	0	0	0	113.3	V373 L374 S377 I415 R416 L421 L422 F467 T475 Y478	V373-F419 HydrophobicContact CG1-CD1 4.45Å; V373-F419 HydrophobicContact CG1-CE1 4.38Å; L374-F419 HydrophobicContact CD2-CD1 3.94Å; L374-F419 HydrophobicContact CD2-CE1 3.46Å; L374-F419 VanDerWaalsContact CD2-CE1 3.46Å; L374-F419 HydrophobicContact CD2-CZ 4.12Å; L374-F419 HydrophobicContact CG-CE1 4.28Å; S377-F419 WeakPolarHBondContact OG-CE1 3.15Å; I415-F419 HydrophobicContact CB-CE2 4.49Å; I415-F419 HydrophobicContact CG2-CD2 4.46Å; I415-F419 HydrophobicContact CG2-CE1 4.08Å; I415-F419 HydrophobicContact CG2-CE2 3.64Å; I415-F419 HydrophobicContact CG2-CZ 3.44Å; I415-F419 VanDerWaalsContact CG2-CZ 3.44Å; I415-F419 PolarHBondContact O-N 2.99Å; R416-F419 HydrophobicContact CG-CD2 4.46Å; R416-F419 CarbonylContact O-C 3.5Å; R416-F419 WeakPolarHBondContact O-CA 3.27Å; R416-F419 WeakPolarHBondContact O-CB 3.44Å; R416-F419 PolarHBondContact O-N 3.07Å; F419-L421 PolarHBondContact O-N 3.17Å; F419-L421 VanDerWaalsContact O-N 3.12Å; F419-L422 WeakPolarHBondContact O-CA 3.44Å; F419-L422 WeakPolarHBondContact O-CB 3.47Å; F419-L422 PolarHBondContact O-N 2.89Å; F419-F467 HydrophobicContact CZ-CE2 4.36Å; F419-F467 AromaticContact CZ-CZ 3.9Å; F419-F467 HydrophobicContact CZ-CZ 3.9Å; F419-T475 HydrophobicContact CD2-CG2 4.41Å; F419-T475 HydrophobicContact CE2-CG2 3.43Å; F419-T475 VanDerWaalsContact CE2-CG2 3.43Å; F419-T475 HydrophobicContact CZ-CG2 3.91Å; F419-Y478 HydrophobicContact CB-CD1 4.1Å; F419-Y478 HydrophobicContact CB-CE1 3.55Å; F419-Y478 HydrophobicContact CD2-CD1 4.22Å; F419-Y478 HydrophobicContact CD2-CE1 4.46Å; F419-Y478 HydrophobicContact CG-CE1 4.44Å
420	N	63.5	Low	62.1	Low	69 Å²	69	34.9 Å²	34.9	37%	0.369	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-63.2	-13.3	168.3	-68.6	-11.9	0	0	0	112.8	R416 L417 Y418 L422 D423 Y478	R416-N420 PolarHBondContact O-N 3.38Å; R416-N420 VanDerWaalsContact O-N 3.09Å; L417-N420 WeakPolarHBondContact O-CB 3.21Å; Y418-N420 PolarHBondContact O-N 3.49Å; N420-L422 PolarHBondContact O-N 2.96Å; N420-D423 WeakPolarHBondContact O-CB 3.48Å; N420-D423 PolarHBondContact O-N 2.9Å; N420-Y478 PolarHBondContact OD1-OH 2.92Å
421	L	62.1	Low	62.6	Low	6 Å²	6	35.2 Å²	35.2	3%	0.031	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-62.6	-25.9	166.8	-64.6	173.5	0	0	0	112.4	P344 R348 F369 M370 Y418 F419	P344-L421 HydrophobicContact CB-CD2 4.4Å; P344-L421 HydrophobicContact CB-CG 4.47Å; P344-L421 VanDerWaalsContact O-CD2 3.25Å; P344-L421 WeakPolarHBondContact O-CD2 3.28Å; R348-L421 HydrophobicContact CB-CD2 3.63Å; R348-L421 HydrophobicContact CG-CD2 4.29Å; F369-L421 HydrophobicContact CE1-CD1 3.77Å; F369-L421 HydrophobicContact CZ-CD1 4.2Å; M370-L421 HydrophobicContact CE-CB 4.24Å; M370-L421 HydrophobicContact SD-CB 3.82Å; M370-L421 HydrophobicContact SD-CD1 4.38Å; Y418-L421 WeakPolarHBondContact O-CB 3.35Å; Y418-L421 WeakPolarHBondContact O-CD1 3.42Å; Y418-L421 WeakPolarHBondContact O-CG 3.46Å; Y418-L421 PolarHBondContact O-N 2.65Å; Y418-L421 VanDerWaalsContact O-N 3.17Å; F419-L421 PolarHBondContact O-N 3.17Å; F419-L421 VanDerWaalsContact O-N 3.12Å
422	L	59.7	Low	63	Low	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-88	-6.9	175.7	-58.5	-177.6	0	0	0	113.6	M370 F419 N420 M456 V482 W486	M370-L422 HydrophobicContact CB-CD2 4.27Å; M370-L422 HydrophobicContact CE-CD1 4.04Å; M370-L422 HydrophobicContact CE-CD2 3.26Å; M370-L422 HydrophobicContact CE-CG 3.5Å; M370-L422 VanDerWaalsContact CE-CG 3.5Å; M370-L422 HydrophobicContact CG-CD2 3.69Å; M370-L422 HydrophobicContact SD-CD2 3.66Å; M370-L422 HydrophobicContact SD-CG 4.39Å; F419-L422 WeakPolarHBondContact O-CA 3.44Å; F419-L422 WeakPolarHBondContact O-CB 3.47Å; F419-L422 PolarHBondContact O-N 2.89Å; N420-L422 PolarHBondContact O-N 2.96Å; L422-M456 HydrophobicContact CD2-CE 3.36Å; L422-V482 HydrophobicContact CB-CG1 3.65Å; L422-V482 HydrophobicContact CD1-CG1 4.25Å; L422-W486 HydrophobicContact CB-CH2 4.24Å; L422-W486 HydrophobicContact CB-CZ2 3.64Å; L422-W486 HydrophobicContact CD1-CH2 4.07Å; L422-W486 HydrophobicContact CD1-CZ2 4.32Å; L422-W486 HydrophobicContact CD2-CH2 3.63Å; L422-W486 HydrophobicContact CD2-CZ2 3.61Å; L422-W486 HydrophobicContact CG-CH2 4.18Å; L422-W486 HydrophobicContact CG-CZ2 4.03Å; L422-W486 PolarHBondContact O-NE1 3.4Å
423	D	61.6	Low	63.5	Low	57 Å²	57	41 Å²	41	31%	0.305	21%	0.214	S	C	.	.	S	Bend	trans	-59.7	154.4	179.1	-179.5	26.7	0	0	0	110.8	N420 N425 G426 L427	N420-D423 WeakPolarHBondContact O-CB 3.48Å; N420-D423 PolarHBondContact O-N 2.9Å; D423-N425 PolarHBondContact O-N 3.33Å; D423-N425 VanDerWaalsContact O-N 3.12Å; D423-N425 PolarHBondContact OD2-ND2 3.34Å; D423-G426 WeakPolarHBondContact O-CA 3.27Å; D423-G426 PolarHBondContact O-N 3.19Å; D423-L427 PolarHBondContact O-N 2.87Å; D423-L427 VanDerWaalsContact O-N 3.13Å
424	V	52.8	Low	63.9	Low	69 Å²	69	34.1 Å²	34.1	42%	0.418	18%	0.183	S	C	.	.	H	α-helix	trans	-52.5	-35.2	177.9	-176.7	0	0	0	0	111.1	L427 G428 C485	V424-L427 CarbonylContact O-C 3.59Å; V424-L427 PolarHBondContact O-N 3.44Å; V424-G428 PolarHBondContact O-N 3.45Å; V424-C485 HydrophobicContact CG2-CB 4.35Å
425	N	54.2	Low	64.2	Low	90 Å²	90	37.7 Å²	37.7	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-61.6	-45.5	173.1	-69.1	-53.2	0	0	0	111.8	R348 D423 L427 G428 A429	R348-N425 VanDerWaalsContact NH2-C 3.3Å; R348-N425 PolarHBondContact NH2-O 3.46Å; D423-N425 PolarHBondContact O-N 3.33Å; D423-N425 VanDerWaalsContact O-N 3.12Å; D423-N425 PolarHBondContact OD2-ND2 3.34Å; N425-L427 VanDerWaalsContact C-N 3.32Å; N425-L427 PolarHBondContact O-N 2.98Å; N425-G428 PolarHBondContact O-N 2.85Å; N425-A429 PolarHBondContact O-N 2.8Å
426	G	59.9	Low	64.4	Low	1 Å²	1	41.9 Å²	41.9	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-44.3	-57	170.8	0	0	0	0	0	112	R348 D423	R348-G426 PolarHBondContact NH2-O 2.93Å; D423-G426 WeakPolarHBondContact O-CA 3.27Å; D423-G426 PolarHBondContact O-N 3.19Å
427	L	59.9	Low	64.7	Low	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-68.7	-33.4	178.8	-66.5	179.7	0	0	0	113.9	D423 V424 N425 A429 F430 S431 L452 W486 W489	D423-L427 PolarHBondContact O-N 2.87Å; D423-L427 VanDerWaalsContact O-N 3.13Å; V424-L427 CarbonylContact O-C 3.59Å; V424-L427 PolarHBondContact O-N 3.44Å; N425-L427 VanDerWaalsContact C-N 3.32Å; N425-L427 PolarHBondContact O-N 2.98Å; L427-A429 PolarHBondContact O-N 3.15Å; L427-F430 CarbonylContact O-C 3.52Å; L427-F430 WeakPolarHBondContact O-CA 3.47Å; L427-F430 WeakPolarHBondContact O-CB 3.33Å; L427-F430 PolarHBondContact O-N 3.47Å; L427-S431 WeakPolarHBondContact O-CB 3.39Å; L427-S431 PolarHBondContact O-N 2.95Å; L427-L452 HydrophobicContact CD2-CD2 4.42Å; L427-W486 HydrophobicContact CD1-CD2 4.44Å; L427-W486 HydrophobicContact CD1-CG 3.97Å; L427-W489 HydrophobicContact CD1-CE3 4.47Å
428	G	64	Low	64.6	Low	24 Å²	24	47.2 Å²	47.2	25%	0.247	25%	0.25	C	C	.	.	H	α-helix	trans	-54.5	-41.9	177.1	0	0	0	0	0	111.3	V424 N425 F430 S431 E432	V424-G428 PolarHBondContact O-N 3.45Å; N425-G428 PolarHBondContact O-N 2.85Å; G428-F430 PolarHBondContact O-N 2.88Å; G428-S431 WeakPolarHBondContact O-CB 3.3Å; G428-S431 PolarHBondContact O-N 2.94Å; G428-E432 WeakPolarHBondContact O-CB 3.4Å; G428-E432 WeakPolarHBondContact O-CG 3.29Å; G428-E432 PolarHBondContact O-N 3.43Å
429	A	64.9	Low	64.7	Low	19 Å²	19	55.2 Å²	55.2	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-34.7	175.4	0	0	0	0	0	113.4	L352 N425 L427 K433	L352-A429 HydrophobicContact CD1-CB 3.73Å; L352-A429 HydrophobicContact CD2-CB 4.28Å; N425-A429 PolarHBondContact O-N 2.8Å; L427-A429 PolarHBondContact O-N 3.15Å; A429-K433 PolarHBondContact O-N 3.04Å; A429-K433 VanDerWaalsContact O-N 3.17Å
430	F	66.1	Low	65	Low	3 Å²	3	57.2 Å²	57.2	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-69.6	-40.2	172.5	-80.9	-76.6	0	0	0	111.6	I351 L352 C355 F363 F366 L427 G428 K433 I434	I351-F430 HydrophobicContact CG2-CZ 4.27Å; L352-F430 HydrophobicContact CD2-CD1 3.78Å; L352-F430 HydrophobicContact CD2-CD2 3.82Å; L352-F430 HydrophobicContact CD2-CE1 3.69Å; L352-F430 HydrophobicContact CD2-CE2 3.69Å; L352-F430 HydrophobicContact CD2-CG 3.87Å; L352-F430 HydrophobicContact CD2-CZ 3.62Å; L352-F430 HydrophobicContact CG-CE2 4.41Å; L352-F430 HydrophobicContact CG-CZ 4.35Å; C355-F430 VanDerWaalsContact SG-CE1 3.56Å; F363-F430 AromaticContact CD1-CD1 3.94Å; F363-F430 HydrophobicContact CD1-CD1 3.94Å; F363-F430 HydrophobicContact CD1-CE1 4.16Å; F363-F430 HydrophobicContact CE1-CB 4.08Å; F363-F430 AromaticContact CE1-CD1 3.31Å; F363-F430 HydrophobicContact CE1-CD1 3.31Å; F363-F430 AromaticContact CE1-CE1 3.98Å; F363-F430 HydrophobicContact CE1-CE1 3.98Å; F363-F430 AromaticContact CE1-CG 3.99Å; F363-F430 HydrophobicContact CE1-CG 3.99Å; F363-F430 HydrophobicContact CZ-CD1 4.09Å; F366-F430 HydrophobicContact CB-CE1 4.26Å; F366-F430 HydrophobicContact CB-CZ 3.83Å; F366-F430 HydrophobicContact CD1-CE2 4.14Å; F366-F430 HydrophobicContact CD1-CZ 4.02Å; F366-F430 HydrophobicContact CD2-CE1 4.49Å; F366-F430 AromaticContact CD2-CE2 3.55Å; F366-F430 HydrophobicContact CD2-CE2 3.55Å; F366-F430 AromaticContact CD2-CZ 3.34Å; F366-F430 HydrophobicContact CD2-CZ 3.34Å; F366-F430 HydrophobicContact CE1-CE2 4.09Å; F366-F430 HydrophobicContact CE1-CZ 4.43Å; F366-F430 AromaticContact CE2-CE2 3.5Å; F366-F430 HydrophobicContact CE2-CE2 3.5Å; F366-F430 VanDerWaalsContact CE2-CE2 3.5Å; F366-F430 AromaticContact CE2-CZ 3.84Å; F366-F430 HydrophobicContact CE2-CZ 3.84Å; F366-F430 HydrophobicContact CG-CE1 4.23Å; F366-F430 AromaticContact CG-CE2 3.87Å; F366-F430 HydrophobicContact CG-CE2 3.87Å; F366-F430 AromaticContact CG-CZ 3.44Å; F366-F430 HydrophobicContact CG-CZ 3.44Å; F366-F430 VanDerWaalsContact CG-CZ 3.44Å; F366-F430 AromaticContact CZ-CE2 3.78Å; F366-F430 HydrophobicContact CZ-CE2 3.78Å; F366-F430 HydrophobicContact CZ-CZ 4.35Å; L427-F430 CarbonylContact O-C 3.52Å; L427-F430 WeakPolarHBondContact O-CA 3.47Å; L427-F430 WeakPolarHBondContact O-CB 3.33Å; L427-F430 PolarHBondContact O-N 3.47Å; G428-F430 PolarHBondContact O-N 2.88Å; F430-K433 PolarHBondContact O-N 3.23Å; F430-I434 WeakPolarHBondContact O-CG1 3.36Å; F430-I434 PolarHBondContact O-N 3Å
431	S	66.6	Low	65.5	Low	12 Å²	12	57.7 Å²	57.7	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-49.6	175.2	-160.9	0	0	0	0	110.6	L427 G428 K433 I434 Q435 Y449	L427-S431 WeakPolarHBondContact O-CB 3.39Å; L427-S431 PolarHBondContact O-N 2.95Å; G428-S431 WeakPolarHBondContact O-CB 3.3Å; G428-S431 PolarHBondContact O-N 2.94Å; S431-K433 VanDerWaalsContact C-N 3.27Å; S431-K433 PolarHBondContact O-N 3Å; S431-I434 PolarHBondContact O-N 2.91Å; S431-I434 VanDerWaalsContact O-N 3.14Å; S431-Q435 VanDerWaalsContact O-CB 3.24Å; S431-Q435 WeakPolarHBondContact O-CB 3.47Å; S431-Q435 PolarHBondContact O-N 3.32Å; S431-Y449 PolarHBondContact O-OH 2.93Å; S431-Y449 PolarHBondContact OG-OH 3.5Å
432	E	69.7	Low	66	Low	137 Å²	137	59 Å²	59	64%	0.64	31%	0.313	S	S	*	.	H	α-helix	trans	-56.3	-42	176.2	-77.5	173.8	-177.8	0	0	111.1	G428 Q435 S436	G428-E432 WeakPolarHBondContact O-CB 3.4Å; G428-E432 WeakPolarHBondContact O-CG 3.29Å; G428-E432 PolarHBondContact O-N 3.43Å; E432-Q435 PolarHBondContact O-N 2.73Å; E432-S436 WeakPolarHBondContact O-CB 3.47Å; E432-S436 PolarHBondContact O-N 3.29Å; E432-S436 PolarHBondContact O-OG 2.93Å
433	K	71.2	Confident	66.5	Low	42 Å²	42	61.4 Å²	61.4	18%	0.183	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-38.3	175.7	-77.3	-163.4	176.9	-150.3	0	114.2	L352 C355 D356 A429 F430 S431 Q435 S436 R437	L352-K433 PolarHBondContact O-NZ 3.45Å; C355-K433 HydrophobicContact CB-CD 4.26Å; D356-K433 IonicContact OD1-NZ 2.76Å; D356-K433 PolarHBondContact OD1-NZ 3.43Å; D356-K433 IonicContact OD2-NZ 3.52Å; D356-K433 PolarHBondContact OD2-NZ 3.36Å; A429-K433 PolarHBondContact O-N 3.04Å; A429-K433 VanDerWaalsContact O-N 3.17Å; F430-K433 PolarHBondContact O-N 3.23Å; S431-K433 VanDerWaalsContact C-N 3.27Å; S431-K433 PolarHBondContact O-N 3Å; K433-Q435 VanDerWaalsContact C-N 3.33Å; K433-S436 PolarHBondContact O-OG 3.19Å; K433-R437 VanDerWaalsContact O-CG 3.27Å; K433-R437 WeakPolarHBondContact O-CG 3.37Å
434	I	69.4	Low	67	Low	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-43.9	173.5	-65.6	163.3	0	0	0	109.4	L359 F363 F430 S431 R437 K445 Y449	L359-I434 HydrophobicContact CD2-CG1 3.97Å; F363-I434 HydrophobicContact CE1-CD1 4.26Å; F363-I434 HydrophobicContact CE2-CD1 4.05Å; F363-I434 HydrophobicContact CE2-CG1 3.89Å; F363-I434 HydrophobicContact CZ-CD1 3.46Å; F363-I434 VanDerWaalsContact CZ-CD1 3.46Å; F363-I434 HydrophobicContact CZ-CG1 3.49Å; F363-I434 VanDerWaalsContact CZ-CG1 3.49Å; F430-I434 WeakPolarHBondContact O-CG1 3.36Å; F430-I434 PolarHBondContact O-N 3Å; S431-I434 PolarHBondContact O-N 2.91Å; S431-I434 VanDerWaalsContact O-N 3.14Å; I434-R437 PolarHBondContact O-N 2.84Å; I434-K445 HydrophobicContact CG2-CB 3.99Å; I434-K445 HydrophobicContact CG2-CG 3.9Å; I434-K445 WeakPolarHBondContact O-CE 3.39Å; I434-Y449 HydrophobicContact CB-CE1 4.29Å; I434-Y449 HydrophobicContact CB-CE2 4.28Å; I434-Y449 HydrophobicContact CD1-CD1 3.64Å; I434-Y449 HydrophobicContact CD1-CE1 3.4Å; I434-Y449 HydrophobicContact CD1-CE2 4.41Å; I434-Y449 HydrophobicContact CD1-CG 4.27Å; I434-Y449 HydrophobicContact CG1-CE1 4.44Å; I434-Y449 HydrophobicContact CG2-CD2 4.25Å; I434-Y449 HydrophobicContact CG2-CE1 4.4Å; I434-Y449 HydrophobicContact CG2-CE2 3.6Å
435	Q	70.6	Confident	68.1	Low	106 Å²	106	61.2 Å²	61.2	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-71.4	-38.8	-173.6	-160.2	153	4.4	0	0	111.7	S431 E432 K433 R437 K445	S431-Q435 VanDerWaalsContact O-CB 3.24Å; S431-Q435 WeakPolarHBondContact O-CB 3.47Å; S431-Q435 PolarHBondContact O-N 3.32Å; E432-Q435 PolarHBondContact O-N 2.73Å; K433-Q435 VanDerWaalsContact C-N 3.33Å; Q435-R437 VanDerWaalsContact C-N 3.26Å; Q435-R437 PolarHBondContact O-N 3.31Å; Q435-K445 PolarHBondContact O-NZ 3.4Å
436	S	71	Confident	69	Low	90 Å²	90	57 Å²	57	63%	0.629	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.5	177.8	75.7	0	0	0	0	114.2	E432 K433 E438	E432-S436 WeakPolarHBondContact O-CB 3.47Å; E432-S436 PolarHBondContact O-N 3.29Å; E432-S436 PolarHBondContact O-OG 2.93Å; K433-S436 PolarHBondContact O-OG 3.19Å; S436-E438 PolarHBondContact O-N 3.3Å; S436-E438 VanDerWaalsContact O-N 3.13Å
437	R	69.7	Low	69.5	Low	75 Å²	75	60 Å²	60	28%	0.283	31%	0.313	S	S	.	.			trans	-77.2	96.1	172.9	-76.6	-95	-178.1	176.1	-0.8	109.4	D356 L359 K433 I434 Q435 Q439 L440 K445	D356-R437 PolarHBondContact O-NH2 2.91Å; L359-R437 HydrophobicContact CD1-CG 4.06Å; K433-R437 VanDerWaalsContact O-CG 3.27Å; K433-R437 WeakPolarHBondContact O-CG 3.37Å; I434-R437 PolarHBondContact O-N 2.84Å; Q435-R437 VanDerWaalsContact C-N 3.26Å; Q435-R437 PolarHBondContact O-N 3.31Å; R437-Q439 PolarHBondContact O-N 2.73Å; R437-L440 HydrophobicContact CB-CD1 3.8Å; R437-L440 HydrophobicContact CB-CG 4.15Å; R437-L440 HydrophobicContact CG-CD1 4.4Å; R437-L440 PolarHBondContact O-N 3.48Å; R437-K445 WeakPolarHBondContact O-CE 3.35Å; R437-K445 PolarHBondContact O-NZ 3.44Å; R437-K445 VanDerWaalsContact O-NZ 3.09Å
438	E	65.1	Low	70.1	Confident	187 Å²	187	61.5 Å²	61.5	87%	0.874	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.2	178.7	-65.6	-174.9	167.6	0	0	113.4	S436 L440	S436-E438 PolarHBondContact O-N 3.3Å; S436-E438 VanDerWaalsContact O-N 3.13Å; E438-L440 VanDerWaalsContact C-N 3.27Å; E438-L440 PolarHBondContact O-N 3.45Å
439	Q	70.5	Confident	70.7	Confident	168 Å²	168	60.6 Å²	60.6	79%	0.785	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.7	-177.9	-66.5	171.3	-8.1	0	0	114.3	R437	R437-Q439 PolarHBondContact O-N 2.73Å
440	L	71.6	Confident	70.7	Confident	43 Å²	43	59.7 Å²	59.7	23%	0.225	30%	0.302	C	S	.	.	S	Bend	trans	-88.9	132	-178.1	-65.3	171.7	0	0	0	110.6	L359 R437 E438 E444 K445 L448	L359-L440 HydrophobicContact CD2-CD1 4.08Å; R437-L440 HydrophobicContact CB-CD1 3.8Å; R437-L440 HydrophobicContact CB-CG 4.15Å; R437-L440 HydrophobicContact CG-CD1 4.4Å; R437-L440 PolarHBondContact O-N 3.48Å; E438-L440 VanDerWaalsContact C-N 3.27Å; E438-L440 PolarHBondContact O-N 3.45Å; L440-E444 HydrophobicContact CB-CB 4.4Å; L440-E444 HydrophobicContact CD2-CB 4.15Å; L440-K445 HydrophobicContact CB-CD 4.45Å; L440-K445 HydrophobicContact CB-CG 3.76Å; L440-K445 HydrophobicContact CD1-CG 4.37Å; L440-K445 VanDerWaalsContact O-CE 3.28Å; L440-K445 WeakPolarHBondContact O-CE 3.21Å; L440-L448 HydrophobicContact CD1-CD1 3.64Å; L440-L448 HydrophobicContact CD2-CD1 4.49Å
441	T	75.5	Confident	70.7	Confident	78 Å²	78	61.2 Å²	61.2	48%	0.479	31%	0.313	S	S	.	.			trans	-65.6	159.4	170.3	62.6	0	0	0	0	111.4	L443 E444 K445	T441-L443 PolarHBondContact O-N 3.42Å; T441-E444 WeakPolarHBondContact CB-OE2 3.38Å; T441-E444 PolarHBondContact N-OE2 2.68Å; T441-E444 PolarHBondContact O-N 3.15Å; T441-E444 VanDerWaalsContact O-N 3.16Å; T441-E444 WeakPolarHBondContact OG1-CB 3.39Å; T441-E444 VanDerWaalsContact OG1-CD 3.28Å; T441-E444 WeakPolarHBondContact OG1-CG 3.35Å; T441-E444 PolarHBondContact OG1-N 2.81Å; T441-E444 PolarHBondContact OG1-OE2 2.88Å; T441-K445 WeakPolarHBondContact O-CG 3.07Å; T441-K445 PolarHBondContact O-N 2.87Å
442	S	73.1	Confident	70.9	Confident	35 Å²	35	60.9 Å²	60.9	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-55.7	-36.8	176.1	-55.3	0	0	0	0	112.6	W446 S500	S442-W446 WeakPolarHBondContact O-CB 3.26Å; S442-W446 PolarHBondContact O-N 3.46Å; S442-S500 WeakPolarHBondContact OG-CB 3.49Å
443	L	68.9	Low	70.8	Confident	51 Å²	51	54.5 Å²	54.5	27%	0.267	28%	0.281	S	S	.	.	H	α-helix	trans	-68.5	-47.1	176.7	-177.3	67.4	0	0	0	111.2	T441 K445 W446 T447 L501 D506	T441-L443 PolarHBondContact O-N 3.42Å; L443-K445 VanDerWaalsContact C-N 3.31Å; L443-K445 PolarHBondContact O-N 3.35Å; L443-W446 CarbonylContact O-C 3.35Å; L443-W446 WeakPolarHBondContact O-CA 3.38Å; L443-W446 WeakPolarHBondContact O-CB 3.24Å; L443-W446 PolarHBondContact O-N 3.33Å; L443-W446 VanDerWaalsContact O-N 3.1Å; L443-T447 PolarHBondContact O-N 2.94Å; L443-T447 PolarHBondContact O-OG1 3.48Å; L443-L501 HydrophobicContact CB-CD2 4.28Å; L443-L501 HydrophobicContact CD1-CD2 4.44Å; L443-D506 HydrophobicContact CD1-CB 4.13Å; L443-D506 WeakPolarHBondContact CD2-OD1 3.47Å
444	E	73.2	Confident	70.5	Confident	90 Å²	90	55.9 Å²	55.9	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-39.7	177.6	-71.7	165.5	140.8	0	0	111.9	L440 T441 T447 L448	L440-E444 HydrophobicContact CB-CB 4.4Å; L440-E444 HydrophobicContact CD2-CB 4.15Å; T441-E444 WeakPolarHBondContact CB-OE2 3.38Å; T441-E444 PolarHBondContact N-OE2 2.68Å; T441-E444 PolarHBondContact O-N 3.15Å; T441-E444 VanDerWaalsContact O-N 3.16Å; T441-E444 WeakPolarHBondContact OG1-CB 3.39Å; T441-E444 VanDerWaalsContact OG1-CD 3.28Å; T441-E444 WeakPolarHBondContact OG1-CG 3.35Å; T441-E444 PolarHBondContact OG1-N 2.81Å; T441-E444 PolarHBondContact OG1-OE2 2.88Å; E444-T447 PolarHBondContact O-N 2.86Å; E444-L448 WeakPolarHBondContact O-CG 3.28Å; E444-L448 PolarHBondContact O-N 3.26Å
445	K	75.9	Confident	70.3	Confident	33 Å²	33	62.2 Å²	62.2	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-49.4	171.7	-69.7	-178.3	-178.5	-178.1	0	110.2	I434 Q435 R437 L440 T441 L443 T447 L448 Y449 L497	I434-K445 HydrophobicContact CG2-CB 3.99Å; I434-K445 HydrophobicContact CG2-CG 3.9Å; I434-K445 WeakPolarHBondContact O-CE 3.39Å; Q435-K445 PolarHBondContact O-NZ 3.4Å; R437-K445 WeakPolarHBondContact O-CE 3.35Å; R437-K445 PolarHBondContact O-NZ 3.44Å; R437-K445 VanDerWaalsContact O-NZ 3.09Å; L440-K445 HydrophobicContact CB-CD 4.45Å; L440-K445 HydrophobicContact CB-CG 3.76Å; L440-K445 HydrophobicContact CD1-CG 4.37Å; L440-K445 VanDerWaalsContact O-CE 3.28Å; L440-K445 WeakPolarHBondContact O-CE 3.21Å; T441-K445 WeakPolarHBondContact O-CG 3.07Å; T441-K445 PolarHBondContact O-N 2.87Å; L443-K445 VanDerWaalsContact C-N 3.31Å; L443-K445 PolarHBondContact O-N 3.35Å; K445-T447 PolarHBondContact O-N 2.95Å; K445-L448 PolarHBondContact O-N 2.82Å; K445-Y449 HydrophobicContact CB-CE2 4.36Å; K445-Y449 WeakPolarHBondContact O-CD2 3.47Å; K445-Y449 PolarHBondContact O-N 2.91Å; K445-L497 HydrophobicContact CB-CD1 4.37Å; K445-L497 HydrophobicContact CB-CD2 4.3Å
446	W	73.1	Confident	70.1	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-46.9	176.5	178	-106.3	0	0	0	112.6	S442 L443 L448 Y449 T450 L490 V493 R494 L497 A510 Y514	S442-W446 WeakPolarHBondContact O-CB 3.26Å; S442-W446 PolarHBondContact O-N 3.46Å; L443-W446 CarbonylContact O-C 3.35Å; L443-W446 WeakPolarHBondContact O-CA 3.38Å; L443-W446 WeakPolarHBondContact O-CB 3.24Å; L443-W446 PolarHBondContact O-N 3.33Å; L443-W446 VanDerWaalsContact O-N 3.1Å; W446-L448 VanDerWaalsContact C-N 3.29Å; W446-L448 PolarHBondContact O-N 3.29Å; W446-Y449 WeakPolarHBondContact O-CB 3.29Å; W446-Y449 PolarHBondContact O-N 3.42Å; W446-Y449 VanDerWaalsContact O-N 3.17Å; W446-T450 HydrophobicContact CD2-CG2 3.95Å; W446-T450 HydrophobicContact CE3-CG2 4.5Å; W446-T450 HydrophobicContact CG-CG2 4.44Å; W446-T450 HydrophobicContact CH2-CG2 4.1Å; W446-T450 HydrophobicContact CZ2-CG2 3.47Å; W446-T450 VanDerWaalsContact CZ2-CG2 3.47Å; W446-T450 PolarHBondContact O-N 2.88Å; W446-T450 PolarHBondContact O-OG1 3.06Å; W446-L490 HydrophobicContact CH2-CD2 3.8Å; W446-L490 HydrophobicContact CZ3-CD2 3.82Å; W446-V493 HydrophobicContact CE3-CG1 4.28Å; W446-V493 HydrophobicContact CZ3-CG1 4.29Å; W446-R494 HydrophobicContact CH2-CB 3.65Å; W446-R494 HydrophobicContact CH2-CG 4Å; W446-R494 HydrophobicContact CZ3-CB 3.54Å; W446-R494 HydrophobicContact CZ3-CG 4.17Å; W446-L497 HydrophobicContact CB-CD1 4.01Å; W446-L497 HydrophobicContact CE3-CD1 4.02Å; W446-A510 HydrophobicContact CD2-CB 4.31Å; W446-A510 HydrophobicContact CG-CB 4.32Å; W446-A510 HydrophobicContact CZ2-CB 4.19Å; W446-A510 WeakPolarHBondContact CZ2-O 3.49Å; W446-A510 VanDerWaalsContact NE1-CA 3.25Å; W446-A510 VanDerWaalsContact NE1-CB 3.3Å; W446-Y514 HydrophobicContact CH2-CD2 4.41Å
447	T	69.3	Low	69.7	Low	62 Å²	62	53.1 Å²	53.1	38%	0.38	26%	0.261	S	S	.	.	H	α-helix	trans	-61	-37.8	178.1	-53.7	0	0	0	0	111.9	L443 E444 K445 T450 S451	L443-T447 PolarHBondContact O-N 2.94Å; L443-T447 PolarHBondContact O-OG1 3.48Å; E444-T447 PolarHBondContact O-N 2.86Å; K445-T447 PolarHBondContact O-N 2.95Å; T447-T450 WeakPolarHBondContact CA-OG1 3.47Å; T447-T450 PolarHBondContact O-OG1 3.31Å; T447-S451 WeakPolarHBondContact O-CB 3.49Å; T447-S451 PolarHBondContact O-N 3.2Å; T447-S451 PolarHBondContact O-OG 3.48Å
448	L	73	Confident	69.3	Low	34 Å²	34	53 Å²	53	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-43.7	175.1	-74.5	164.5	0	0	0	111.6	L359 F363 L440 E444 K445 W446 L452	L359-L448 HydrophobicContact CD2-CD1 3.9Å; F363-L448 HydrophobicContact CD2-CD2 4.21Å; F363-L448 HydrophobicContact CE2-CD2 4.35Å; L440-L448 HydrophobicContact CD1-CD1 3.64Å; L440-L448 HydrophobicContact CD2-CD1 4.49Å; E444-L448 WeakPolarHBondContact O-CG 3.28Å; E444-L448 PolarHBondContact O-N 3.26Å; K445-L448 PolarHBondContact O-N 2.82Å; W446-L448 VanDerWaalsContact C-N 3.29Å; W446-L448 PolarHBondContact O-N 3.29Å; L448-L452 VanDerWaalsContact O-CB 3.28Å; L448-L452 WeakPolarHBondContact O-CB 3.41Å; L448-L452 PolarHBondContact O-N 2.88Å
449	Y	75.7	Confident	69.1	Low	5 Å²	5	44.7 Å²	44.7	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-48.8	176.2	-75.1	-62.4	0	0	0	112.2	S431 I434 K445 W446 L452 T453 W489 V493 L497	S431-Y449 PolarHBondContact O-OH 2.93Å; S431-Y449 PolarHBondContact OG-OH 3.5Å; I434-Y449 HydrophobicContact CB-CE1 4.29Å; I434-Y449 HydrophobicContact CB-CE2 4.28Å; I434-Y449 HydrophobicContact CD1-CD1 3.64Å; I434-Y449 HydrophobicContact CD1-CE1 3.4Å; I434-Y449 HydrophobicContact CD1-CE2 4.41Å; I434-Y449 HydrophobicContact CD1-CG 4.27Å; I434-Y449 HydrophobicContact CG1-CE1 4.44Å; I434-Y449 HydrophobicContact CG2-CD2 4.25Å; I434-Y449 HydrophobicContact CG2-CE1 4.4Å; I434-Y449 HydrophobicContact CG2-CE2 3.6Å; K445-Y449 HydrophobicContact CB-CE2 4.36Å; K445-Y449 WeakPolarHBondContact O-CD2 3.47Å; K445-Y449 PolarHBondContact O-N 2.91Å; W446-Y449 WeakPolarHBondContact O-CB 3.29Å; W446-Y449 PolarHBondContact O-N 3.42Å; W446-Y449 VanDerWaalsContact O-N 3.17Å; Y449-L452 PolarHBondContact O-N 3.34Å; Y449-T453 PolarHBondContact O-N 2.86Å; Y449-T453 PolarHBondContact O-OG1 3.36Å; Y449-T453 VanDerWaalsContact O-OG1 3.11Å; Y449-W489 AromaticContact CD1-CH2 3.26Å; Y449-W489 HydrophobicContact CD1-CH2 3.26Å; Y449-W489 AromaticContact CD1-CZ2 3.65Å; Y449-W489 HydrophobicContact CD1-CZ2 3.65Å; Y449-W489 AromaticContact CD1-CZ3 3.99Å; Y449-W489 HydrophobicContact CD1-CZ3 3.99Å; Y449-W489 AromaticContact CE1-CH2 3.53Å; Y449-W489 HydrophobicContact CE1-CH2 3.53Å; Y449-W489 AromaticContact CE1-CZ2 3.44Å; Y449-W489 HydrophobicContact CE1-CZ2 3.44Å; Y449-W489 VanDerWaalsContact CE1-CZ2 3.44Å; Y449-W489 HydrophobicContact CG-CH2 4.48Å; Y449-V493 HydrophobicContact CD1-CG1 4.1Å; Y449-V493 HydrophobicContact CD1-CG2 4.28Å; Y449-V493 HydrophobicContact CD2-CG1 3.31Å; Y449-V493 HydrophobicContact CE1-CG1 4.33Å; Y449-V493 HydrophobicContact CE1-CG2 4.16Å; Y449-V493 HydrophobicContact CE2-CG1 3.6Å; Y449-V493 HydrophobicContact CG-CG1 3.6Å; Y449-L497 HydrophobicContact CD2-CD1 3.9Å; Y449-L497 HydrophobicContact CE2-CD1 4.09Å
450	T	66	Low	68.8	Low	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-40.5	179.4	54.4	0	0	0	0	112.1	W446 T447 T453 Q454 L490 M513	W446-T450 HydrophobicContact CD2-CG2 3.95Å; W446-T450 HydrophobicContact CE3-CG2 4.5Å; W446-T450 HydrophobicContact CG-CG2 4.44Å; W446-T450 HydrophobicContact CH2-CG2 4.1Å; W446-T450 HydrophobicContact CZ2-CG2 3.47Å; W446-T450 VanDerWaalsContact CZ2-CG2 3.47Å; W446-T450 PolarHBondContact O-N 2.88Å; W446-T450 PolarHBondContact O-OG1 3.06Å; T447-T450 WeakPolarHBondContact CA-OG1 3.47Å; T447-T450 PolarHBondContact O-OG1 3.31Å; T450-T453 PolarHBondContact O-N 2.86Å; T450-Q454 WeakPolarHBondContact O-CB 3.47Å; T450-Q454 WeakPolarHBondContact O-CG 3.37Å; T450-Q454 PolarHBondContact O-N 3.43Å; T450-L490 HydrophobicContact CG2-CD2 3.9Å; T450-M513 HydrophobicContact CG2-CB 4.14Å; T450-M513 HydrophobicContact CG2-SD 4.12Å; T450-M513 PolarHBondContact OG1-SD 3.42Å; T450-M513 VanDerWaalsContact OG1-SD 3.34Å
451	S	66.3	Low	68.3	Low	35 Å²	35	36.5 Å²	36.5	25%	0.245	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-45.3	176.2	-59.4	0	0	0	0	110.9	T447 T453 Q454 Y455	T447-S451 WeakPolarHBondContact O-CB 3.49Å; T447-S451 PolarHBondContact O-N 3.2Å; T447-S451 PolarHBondContact O-OG 3.48Å; S451-T453 VanDerWaalsContact C-N 3.35Å; S451-T453 PolarHBondContact O-N 3.44Å; S451-Q454 PolarHBondContact O-N 3.1Å; S451-Y455 WeakPolarHBondContact O-CD2 3.42Å; S451-Y455 PolarHBondContact O-N 2.91Å
452	L	70	Confident	67.5	Low	6 Å²	6	35 Å²	35	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-49.6	175.5	179.1	65.7	0	0	0	110.5	F363 L427 L448 Y449 Q454 Y455 M456 W489	F363-L452 HydrophobicContact CD1-CD1 3.8Å; F363-L452 HydrophobicContact CD1-CD2 4.3Å; F363-L452 HydrophobicContact CE1-CD1 4.35Å; F363-L452 HydrophobicContact CE1-CD2 4.01Å; L427-L452 HydrophobicContact CD2-CD2 4.42Å; L448-L452 VanDerWaalsContact O-CB 3.28Å; L448-L452 WeakPolarHBondContact O-CB 3.41Å; L448-L452 PolarHBondContact O-N 2.88Å; Y449-L452 PolarHBondContact O-N 3.34Å; L452-Q454 PolarHBondContact O-N 3.34Å; L452-Y455 PolarHBondContact O-N 3.45Å; L452-M456 HydrophobicContact CD1-CG 4.46Å; L452-M456 HydrophobicContact CD1-SD 4.44Å; L452-M456 WeakPolarHBondContact O-CB 3.35Å; L452-M456 VanDerWaalsContact O-CG 3.26Å; L452-M456 WeakPolarHBondContact O-CG 3.48Å; L452-M456 PolarHBondContact O-N 2.84Å; L452-W489 HydrophobicContact CD2-CH2 4.18Å; L452-W489 HydrophobicContact CD2-CZ3 4.42Å
453	T	68.4	Low	67	Low	2 Å²	2	33.4 Å²	33.4	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-36.8	179.3	-52.5	0	0	0	0	112.7	Y449 T450 S451 M456 V457 W486 I487 L490 L517	Y449-T453 PolarHBondContact O-N 2.86Å; Y449-T453 PolarHBondContact O-OG1 3.36Å; Y449-T453 VanDerWaalsContact O-OG1 3.11Å; T450-T453 PolarHBondContact O-N 2.86Å; S451-T453 VanDerWaalsContact C-N 3.35Å; S451-T453 PolarHBondContact O-N 3.44Å; T453-M456 WeakPolarHBondContact O-CB 3.21Å; T453-M456 PolarHBondContact O-N 2.93Å; T453-V457 HydrophobicContact CG2-CG2 4.2Å; T453-V457 WeakPolarHBondContact O-CB 3.46Å; T453-V457 VanDerWaalsContact O-CG2 3.25Å; T453-V457 WeakPolarHBondContact O-CG2 3.44Å; T453-V457 PolarHBondContact O-N 3.37Å; T453-W486 HydrophobicContact CG2-CB 4.37Å; T453-I487 HydrophobicContact CG2-CG1 4.47Å; T453-L490 VanDerWaalsContact CB-CD1 3.41Å; T453-L490 HydrophobicContact CG2-CD1 3.45Å; T453-L490 VanDerWaalsContact CG2-CD1 3.45Å; T453-L490 HydrophobicContact CG2-CG 4.35Å; T453-L490 VanDerWaalsContact OG1-CD1 3.25Å; T453-L490 WeakPolarHBondContact OG1-CD1 3.39Å; T453-L490 WeakPolarHBondContact OG1-CG 3.46Å; T453-L517 HydrophobicContact CG2-CD1 4.49Å
454	Q	63.4	Low	66.7	Low	71 Å²	71	31.1 Å²	31.1	33%	0.332	17%	0.166	S	C	.	.	H	α-helix	trans	-61.2	-51	174.3	-79.4	176.7	-13.8	0	0	111.7	T450 S451 L452 M456 V457 C458 L517	T450-Q454 WeakPolarHBondContact O-CB 3.47Å; T450-Q454 WeakPolarHBondContact O-CG 3.37Å; T450-Q454 PolarHBondContact O-N 3.43Å; S451-Q454 PolarHBondContact O-N 3.1Å; L452-Q454 PolarHBondContact O-N 3.34Å; Q454-M456 VanDerWaalsContact C-N 3.25Å; Q454-M456 PolarHBondContact O-N 3.49Å; Q454-V457 PolarHBondContact O-N 3.42Å; Q454-V457 VanDerWaalsContact O-N 3.16Å; Q454-C458 PolarHBondContact O-N 3.5Å; Q454-C458 PolarHBondContact O-SG 3.4Å; Q454-C458 VanDerWaalsContact O-SG 3.33Å; Q454-L517 HydrophobicContact CG-CD1 4.3Å; Q454-L517 HydrophobicContact CG-CD2 3.85Å; Q454-L517 HydrophobicContact CG-CG 4.48Å
455	Y	65.9	Low	65.9	Low	133 Å²	133	30.3 Å²	30.3	52%	0.522	16%	0.16	S	C	.	.	H	α-helix	trans	-56.1	-45.8	176.9	-87.2	-67.6	0	0	0	111.4	S451 L452 C458 L459	S451-Y455 WeakPolarHBondContact O-CD2 3.42Å; S451-Y455 PolarHBondContact O-N 2.91Å; L452-Y455 PolarHBondContact O-N 3.45Å; Y455-C458 PolarHBondContact O-N 3.02Å; Y455-L459 VanDerWaalsContact O-CB 3.22Å; Y455-L459 WeakPolarHBondContact O-CB 3.24Å; Y455-L459 PolarHBondContact O-N 3.46Å
456	M	66.7	Low	65.3	Low	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-41.9	176.6	-90.3	-1.1	-112.5	0	0	113.8	F366 M370 L422 L452 T453 Q454 L459 T460 W486	F366-M456 HydrophobicContact CE1-CE 3.8Å; F366-M456 HydrophobicContact CE1-SD 4.34Å; F366-M456 HydrophobicContact CZ-CE 4.49Å; M370-M456 HydrophobicContact CB-CE 4.2Å; M370-M456 HydrophobicContact CG-CE 4.04Å; L422-M456 HydrophobicContact CD2-CE 3.36Å; L452-M456 HydrophobicContact CD1-CG 4.46Å; L452-M456 HydrophobicContact CD1-SD 4.44Å; L452-M456 WeakPolarHBondContact O-CB 3.35Å; L452-M456 VanDerWaalsContact O-CG 3.26Å; L452-M456 WeakPolarHBondContact O-CG 3.48Å; L452-M456 PolarHBondContact O-N 2.84Å; T453-M456 WeakPolarHBondContact O-CB 3.21Å; T453-M456 PolarHBondContact O-N 2.93Å; Q454-M456 VanDerWaalsContact C-N 3.25Å; Q454-M456 PolarHBondContact O-N 3.49Å; M456-L459 HydrophobicContact CE-CD2 4.03Å; M456-L459 WeakPolarHBondContact O-CB 3.1Å; M456-L459 PolarHBondContact O-N 3.33Å; M456-L459 HydrophobicContact SD-CD2 4.42Å; M456-T460 VanDerWaalsContact O-CB 3.27Å; M456-T460 WeakPolarHBondContact O-CB 3.41Å; M456-T460 PolarHBondContact O-N 2.93Å; M456-T460 PolarHBondContact O-OG1 2.81Å; M456-W486 HydrophobicContact CB-CD2 4.38Å; M456-W486 HydrophobicContact CB-CE3 3.39Å; M456-W486 HydrophobicContact CB-CH2 3.88Å; M456-W486 HydrophobicContact CB-CZ3 3.13Å; M456-W486 HydrophobicContact CE-CH2 3.09Å; M456-W486 HydrophobicContact CE-CZ2 3.67Å; M456-W486 HydrophobicContact CE-CZ3 3.87Å; M456-W486 HydrophobicContact CG-CD2 4.36Å; M456-W486 HydrophobicContact CG-CE3 3.74Å; M456-W486 HydrophobicContact CG-CH2 3.52Å; M456-W486 HydrophobicContact CG-CZ2 4.09Å; M456-W486 HydrophobicContact CG-CZ3 3.34Å; M456-W486 HydrophobicContact SD-CH2 4.08Å; M456-W486 HydrophobicContact SD-CZ3 4.31Å
457	V	62.4	Low	64.8	Low	4 Å²	4	31.8 Å²	31.8	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-47.7	173.8	167.8	0	0	0	0	110	T453 Q454 L459 T460 E461 T483 Y520	T453-V457 HydrophobicContact CG2-CG2 4.2Å; T453-V457 WeakPolarHBondContact O-CB 3.46Å; T453-V457 VanDerWaalsContact O-CG2 3.25Å; T453-V457 WeakPolarHBondContact O-CG2 3.44Å; T453-V457 PolarHBondContact O-N 3.37Å; Q454-V457 PolarHBondContact O-N 3.42Å; Q454-V457 VanDerWaalsContact O-N 3.16Å; V457-L459 VanDerWaalsContact C-N 3.31Å; V457-L459 PolarHBondContact O-N 2.98Å; V457-T460 WeakPolarHBondContact O-CB 3.48Å; V457-T460 PolarHBondContact O-N 3.28Å; V457-E461 VanDerWaalsContact O-CB 3.29Å; V457-E461 WeakPolarHBondContact O-CB 3.49Å; V457-E461 PolarHBondContact O-N 3.14Å; V457-T483 HydrophobicContact CG2-CG2 3.93Å; V457-Y520 HydrophobicContact CG1-CD1 3.71Å; V457-Y520 HydrophobicContact CG1-CE1 3.76Å; V457-Y520 HydrophobicContact CG1-CG 4.11Å
458	C	60.9	Low	64.3	Low	73 Å²	73	29.4 Å²	29.4	49%	0.493	15%	0.152	S	C	.	.	H	α-helix	trans	-61.8	-39.4	177.6	-64.2	0	0	0	0	112.4	Q454 Y455 E461 A462	Q454-C458 PolarHBondContact O-N 3.5Å; Q454-C458 PolarHBondContact O-SG 3.4Å; Q454-C458 VanDerWaalsContact O-SG 3.33Å; Y455-C458 PolarHBondContact O-N 3.02Å; C458-E461 PolarHBondContact O-N 3.38Å; C458-A462 WeakPolarHBondContact O-CB 3.44Å; C458-A462 PolarHBondContact O-N 3.34Å
459	L	62	Low	63.6	Low	13 Å²	13	33 Å²	33	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-49.3	175.5	-165.3	101.4	0	0	0	110.8	C367 M370 F371 L374 Y455 M456 V457 A462 T463	C367-L459 WeakPolarHBondContact O-CD1 3.49Å; M370-L459 HydrophobicContact CB-CD2 3.75Å; F371-L459 HydrophobicContact CB-CD1 3.44Å; F371-L459 VanDerWaalsContact CB-CD1 3.44Å; F371-L459 HydrophobicContact CB-CG 4.45Å; F371-L459 HydrophobicContact CD2-CD1 3.66Å; F371-L459 HydrophobicContact CD2-CG 4.2Å; F371-L459 HydrophobicContact CG-CD1 4.02Å; L374-L459 HydrophobicContact CD1-CD2 3.34Å; L374-L459 HydrophobicContact CD1-CG 3.9Å; Y455-L459 VanDerWaalsContact O-CB 3.22Å; Y455-L459 WeakPolarHBondContact O-CB 3.24Å; Y455-L459 PolarHBondContact O-N 3.46Å; M456-L459 HydrophobicContact CE-CD2 4.03Å; M456-L459 WeakPolarHBondContact O-CB 3.1Å; M456-L459 PolarHBondContact O-N 3.33Å; M456-L459 HydrophobicContact SD-CD2 4.42Å; V457-L459 VanDerWaalsContact C-N 3.31Å; V457-L459 PolarHBondContact O-N 2.98Å; L459-A462 PolarHBondContact O-N 3.34Å; L459-T463 PolarHBondContact O-N 3.49Å; L459-T463 PolarHBondContact O-OG1 2.63Å
460	T	64.6	Low	62.9	Low	1 Å²	1	37.3 Å²	37.3	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-48	178.1	-62	0	0	0	0	110.2	M456 V457 A462 T463 L464 I479 T483	M456-T460 VanDerWaalsContact O-CB 3.27Å; M456-T460 WeakPolarHBondContact O-CB 3.41Å; M456-T460 PolarHBondContact O-N 2.93Å; M456-T460 PolarHBondContact O-OG1 2.81Å; V457-T460 WeakPolarHBondContact O-CB 3.48Å; V457-T460 PolarHBondContact O-N 3.28Å; T460-A462 PolarHBondContact O-N 3.11Å; T460-T463 PolarHBondContact O-N 3.25Å; T460-L464 HydrophobicContact CG2-CD1 3.48Å; T460-L464 VanDerWaalsContact CG2-CD1 3.48Å; T460-L464 HydrophobicContact CG2-CG 3.98Å; T460-L464 VanDerWaalsContact O-CB 3.26Å; T460-L464 WeakPolarHBondContact O-CB 3.27Å; T460-L464 WeakPolarHBondContact O-CG 3.26Å; T460-L464 PolarHBondContact O-N 2.83Å; T460-I479 HydrophobicContact CG2-CG2 3.19Å; T460-T483 WeakPolarHBondContact CB-OG1 2.91Å; T460-T483 HydrophobicContact CG2-CG2 4.41Å; T460-T483 WeakPolarHBondContact CG2-OG1 2.93Å; T460-T483 PolarHBondContact OG1-OG1 3.47Å
461	E	59.5	Low	62.6	Low	37 Å²	37	42.4 Å²	42.4	17%	0.173	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-50.9	177.8	-170.9	178.9	178	0	0	111.5	V457 C458 T463 K465 W532 L536	V457-E461 VanDerWaalsContact O-CB 3.29Å; V457-E461 WeakPolarHBondContact O-CB 3.49Å; V457-E461 PolarHBondContact O-N 3.14Å; C458-E461 PolarHBondContact O-N 3.38Å; E461-T463 VanDerWaalsContact C-N 3.27Å; E461-T463 PolarHBondContact O-N 3.16Å; E461-K465 PolarHBondContact O-N 3.39Å; E461-W532 HydrophobicContact CB-CZ3 4.44Å; E461-W532 HydrophobicContact CG-CZ3 4.19Å; E461-L536 HydrophobicContact CB-CD2 4.29Å; E461-L536 HydrophobicContact CG-CD2 3.26Å; E461-L536 VanDerWaalsContact O-CD2 3.27Å; E461-L536 WeakPolarHBondContact O-CD2 3.16Å
462	A	59.2	Low	62.3	Low	47 Å²	47	40.7 Å²	40.7	39%	0.388	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-34.5	178.4	0	0	0	0	0	112.9	F371 C458 L459 T460	F371-A462 HydrophobicContact CE2-CB 4.27Å; C458-A462 WeakPolarHBondContact O-CB 3.44Å; C458-A462 PolarHBondContact O-N 3.34Å; L459-A462 PolarHBondContact O-N 3.34Å; T460-A462 PolarHBondContact O-N 3.11Å
463	T	62.2	Low	61.6	Low	1 Å²	1	44 Å²	44	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-87.8	-35.9	-176.5	-31.5	0	0	0	0	113.2	L374 L459 T460 E461 K465 K466 F467	L374-T463 HydrophobicContact CB-CG2 3.52Å; L374-T463 HydrophobicContact CD2-CG2 4.05Å; L374-T463 HydrophobicContact CG-CG2 4.24Å; L374-T463 WeakPolarHBondContact O-CG2 3.48Å; L459-T463 PolarHBondContact O-N 3.49Å; L459-T463 PolarHBondContact O-OG1 2.63Å; T460-T463 PolarHBondContact O-N 3.25Å; E461-T463 VanDerWaalsContact C-N 3.27Å; E461-T463 PolarHBondContact O-N 3.16Å; T463-K465 PolarHBondContact O-N 3.25Å; T463-K466 PolarHBondContact O-N 3.4Å; T463-F467 HydrophobicContact CG2-CD2 3.84Å; T463-F467 HydrophobicContact CG2-CE2 3.5Å; T463-F467 VanDerWaalsContact O-CD2 3.32Å; T463-F467 WeakPolarHBondContact O-CD2 3.5Å; T463-F467 PolarHBondContact O-N 3.06Å; T463-F467 VanDerWaalsContact O-N 3.07Å
464	L	62.1	Low	61	Low	4 Å²	4	46.4 Å²	46.4	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-50.6	-47	173.9	-84.7	166	0	0	0	110.2	T460 K466 F467 V468 A476 I479 S480 W532 L536	T460-L464 HydrophobicContact CG2-CD1 3.48Å; T460-L464 VanDerWaalsContact CG2-CD1 3.48Å; T460-L464 HydrophobicContact CG2-CG 3.98Å; T460-L464 VanDerWaalsContact O-CB 3.26Å; T460-L464 WeakPolarHBondContact O-CB 3.27Å; T460-L464 WeakPolarHBondContact O-CG 3.26Å; T460-L464 PolarHBondContact O-N 2.83Å; L464-K466 PolarHBondContact O-N 3.28Å; L464-F467 PolarHBondContact O-N 3.01Å; L464-V468 WeakPolarHBondContact O-CB 3.46Å; L464-V468 WeakPolarHBondContact O-CG2 3.39Å; L464-V468 PolarHBondContact O-N 3.48Å; L464-A476 HydrophobicContact CD2-CB 3.58Å; L464-A476 WeakPolarHBondContact CD2-O 3.36Å; L464-I479 HydrophobicContact CD1-CG2 4.39Å; L464-I479 HydrophobicContact CD2-CB 4.2Å; L464-I479 HydrophobicContact CD2-CG2 3.96Å; L464-I479 HydrophobicContact CG-CG2 3.84Å; L464-S480 WeakPolarHBondContact CD2-OG 3.5Å; L464-W532 HydrophobicContact CD1-CD2 4.45Å; L464-W532 HydrophobicContact CD1-CE3 3.9Å; L464-W532 HydrophobicContact CD1-CH2 3.89Å; L464-W532 HydrophobicContact CD1-CZ2 4.47Å; L464-W532 HydrophobicContact CD1-CZ3 3.58Å; L464-L536 HydrophobicContact CB-CD1 3.77Å
465	K	57.7	Low	60.9	Low	72 Å²	72	43 Å²	43	31%	0.313	21%	0.205	S	C	.	.	H	α-helix	trans	-54	-49.9	176.8	-172	175.9	-176.8	163.8	0	112.1	E461 T463 F467 V468 D469 L536	E461-K465 PolarHBondContact O-N 3.39Å; T463-K465 PolarHBondContact O-N 3.25Å; K465-F467 PolarHBondContact O-N 3.19Å; K465-V468 PolarHBondContact O-N 2.94Å; K465-D469 WeakPolarHBondContact O-CB 3.46Å; K465-D469 PolarHBondContact O-N 2.97Å; K465-L536 HydrophobicContact CB-CB 4.18Å; K465-L536 HydrophobicContact CB-CD1 4.17Å; K465-L536 HydrophobicContact CB-CD2 4.45Å; K465-L536 HydrophobicContact CD-CB 4.39Å; K465-L536 VanDerWaalsContact CD-O 3.26Å; K465-L536 WeakPolarHBondContact CD-O 3.42Å; K465-L536 WeakPolarHBondContact CE-O 3.14Å; K465-L536 HydrophobicContact CG-CB 4.25Å; K465-L536 PolarHBondContact NZ-O 3.45Å
466	K	62.8	Low	60.6	Low	66 Å²	66	36.7 Å²	36.7	29%	0.287	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-41.2	-179.8	-66.4	-178.2	177.2	179	0	112.7	E375 T463 L464 R470	E375-K466 IonicContact OE1-NZ 2.7Å; E375-K466 PolarHBondContact OE1-NZ 2.94Å; T463-K466 PolarHBondContact O-N 3.4Å; L464-K466 PolarHBondContact O-N 3.28Å; K466-R470 WeakPolarHBondContact O-CB 3.42Å; K466-R470 WeakPolarHBondContact O-CG 3.35Å; K466-R470 PolarHBondContact O-N 3.5Å
467	F	63.2	Low	60	Low	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.5	-39.6	177.1	-76.9	-68.1	0	0	0	112.2	L374 S378 A381 F419 T463 L464 K465 R470 R471 C472 T475 A476 I479	L374-F467 HydrophobicContact CD2-CE2 4.28Å; S378-F467 VanDerWaalsContact CA-CE1 3.49Å; A381-F467 HydrophobicContact CB-CD1 4.37Å; A381-F467 HydrophobicContact CB-CE1 3.89Å; F419-F467 HydrophobicContact CZ-CE2 4.36Å; F419-F467 AromaticContact CZ-CZ 3.9Å; F419-F467 HydrophobicContact CZ-CZ 3.9Å; T463-F467 HydrophobicContact CG2-CD2 3.84Å; T463-F467 HydrophobicContact CG2-CE2 3.5Å; T463-F467 VanDerWaalsContact O-CD2 3.32Å; T463-F467 WeakPolarHBondContact O-CD2 3.5Å; T463-F467 PolarHBondContact O-N 3.06Å; T463-F467 VanDerWaalsContact O-N 3.07Å; L464-F467 PolarHBondContact O-N 3.01Å; K465-F467 PolarHBondContact O-N 3.19Å; F467-R470 CarbonylContact O-C 3.51Å; F467-R470 VanDerWaalsContact O-C 3.27Å; F467-R470 PolarHBondContact O-N 2.82Å; F467-R471 PolarHBondContact O-N 3.1Å; F467-C472 HydrophobicContact CB-CB 4.08Å; F467-C472 HydrophobicContact CD1-CB 3.68Å; F467-C472 HydrophobicContact CG-CB 4.35Å; F467-C472 PolarHBondContact O-N 3.48Å; F467-T475 HydrophobicContact CD1-CG2 3.74Å; F467-T475 HydrophobicContact CD2-CG2 4.04Å; F467-T475 HydrophobicContact CE1-CG2 3.57Å; F467-T475 HydrophobicContact CE2-CG2 3.87Å; F467-T475 HydrophobicContact CG-CG2 3.98Å; F467-T475 HydrophobicContact CZ-CG2 3.65Å; F467-A476 HydrophobicContact CB-CB 4.03Å; F467-I479 HydrophobicContact CD2-CD1 3.65Å; F467-I479 HydrophobicContact CE2-CD1 3.51Å; F467-I479 HydrophobicContact CZ-CD1 4.47Å
468	V	58.2	Low	59.9	Low	12 Å²	12	43.9 Å²	43.9	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-46.9	176.5	171.3	0	0	0	0	111	L464 K465 R470 R471 A476 Y529 Q533	L464-V468 WeakPolarHBondContact O-CB 3.46Å; L464-V468 WeakPolarHBondContact O-CG2 3.39Å; L464-V468 PolarHBondContact O-N 3.48Å; K465-V468 PolarHBondContact O-N 2.94Å; V468-R470 PolarHBondContact O-N 3.33Å; V468-R471 PolarHBondContact O-N 3.15Å; V468-A476 HydrophobicContact CG2-CB 4.14Å; V468-Y529 HydrophobicContact CG2-CE1 3.75Å; V468-Y529 WeakPolarHBondContact CG2-OH 3.33Å; V468-Q533 HydrophobicContact CG1-CG 3.69Å
469	D	59.3	Low	60	Low	109 Å²	109	40.4 Å²	40.4	58%	0.583	19%	0.189	S	C	*	.	H	α-helix	trans	-60.8	-29.7	176.9	-67.1	-15.7	0	0	0	111.3	K465	K465-D469 WeakPolarHBondContact O-CB 3.46Å; K465-D469 PolarHBondContact O-N 2.97Å
470	R	60.9	Low	59.8	Low	97 Å²	97	40.6 Å²	40.6	37%	0.366	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	11.2	173.1	-69.5	-178.5	169.9	-133.9	0	114.2	S378 L379 P383 K466 F467 V468 C472	S378-R470 WeakPolarHBondContact O-CD 3.37Å; S378-R470 PolarHBondContact O-NE 3.1Å; S378-R470 PolarHBondContact O-NH1 3.11Å; L379-R470 VanDerWaalsContact CA-NH1 3.28Å; L379-R470 PolarHBondContact O-NH1 3.03Å; P383-R470 VanDerWaalsContact CB-O 3.24Å; P383-R470 WeakPolarHBondContact CB-O 3.48Å; K466-R470 WeakPolarHBondContact O-CB 3.42Å; K466-R470 WeakPolarHBondContact O-CG 3.35Å; K466-R470 PolarHBondContact O-N 3.5Å; F467-R470 CarbonylContact O-C 3.51Å; F467-R470 VanDerWaalsContact O-C 3.27Å; F467-R470 PolarHBondContact O-N 2.82Å; V468-R470 PolarHBondContact O-N 3.33Å; R470-C472 PolarHBondContact O-N 2.99Å; R470-C472 VanDerWaalsContact O-N 3.11Å; R470-C472 PolarHBondContact O-SG 3.48Å; R470-C472 VanDerWaalsContact O-SG 3.39Å
471	R	59	Low	59.5	Low	106 Å²	106	45.6 Å²	45.6	40%	0.4	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	27.2	177.2	-53.9	176	174.1	-176.2	-12.6	115	D386 F467 V468 Y473	D386-R471 IonicContact OD1-CZ 3.6Å; D386-R471 VanDerWaalsContact OD1-CZ 3.29Å; D386-R471 IonicContact OD1-NH1 3.42Å; D386-R471 PolarHBondContact OD1-NH1 2.84Å; D386-R471 IonicContact OD1-NH2 2.9Å; D386-R471 PolarHBondContact OD1-NH2 3.45Å; D386-R471 IonicContact OD2-NH1 3.73Å; F467-R471 PolarHBondContact O-N 3.1Å; V468-R471 PolarHBondContact O-N 3.15Å; R471-Y473 HydrophobicContact CB-CE2 3.8Å; R471-Y473 HydrophobicContact CG-CE2 4.41Å; R471-Y473 WeakPolarHBondContact O-CD2 3.49Å; R471-Y473 PolarHBondContact O-N 3.22Å
472	C	59.8	Low	59.5	Low	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.			trans	-91.7	66.2	176.4	-62.1	0	0	0	0	110.4	E412 F467 R470 A476	E412-C472 WeakPolarHBondContact OE1-CA 3.42Å; E412-C472 WeakPolarHBondContact OE1-CB 3.1Å; F467-C472 HydrophobicContact CB-CB 4.08Å; F467-C472 HydrophobicContact CD1-CB 3.68Å; F467-C472 HydrophobicContact CG-CB 4.35Å; F467-C472 PolarHBondContact O-N 3.48Å; R470-C472 PolarHBondContact O-N 2.99Å; R470-C472 VanDerWaalsContact O-N 3.11Å; R470-C472 PolarHBondContact O-SG 3.48Å; R470-C472 VanDerWaalsContact O-SG 3.39Å; C472-A476 PolarHBondContact O-N 2.95Å
473	Y	56.3	Low	59.6	Low	74 Å²	74	42.2 Å²	42.2	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-68.5	-36.9	-167.1	-58.9	-71.4	0	0	0	114.2	R471 T475 A476 M477 Y529	R471-Y473 HydrophobicContact CB-CE2 3.8Å; R471-Y473 HydrophobicContact CG-CE2 4.41Å; R471-Y473 WeakPolarHBondContact O-CD2 3.49Å; R471-Y473 PolarHBondContact O-N 3.22Å; Y473-T475 VanDerWaalsContact C-N 3.32Å; Y473-T475 PolarHBondContact O-N 3.34Å; Y473-A476 PolarHBondContact O-N 3.5Å; Y473-M477 WeakPolarHBondContact O-CB 3.1Å; Y473-M477 PolarHBondContact O-N 3.4Å; Y473-Y529 AromaticContact CD1-CE1 3.63Å; Y473-Y529 HydrophobicContact CD1-CE1 3.63Å; Y473-Y529 AromaticContact CD1-CZ 3.87Å; Y473-Y529 HydrophobicContact CE1-CE1 4.13Å
474	D	55.2	Low	59.4	Low	53 Å²	53	43.1 Å²	43.1	28%	0.283	20%	0.202	S	C	.	.	H	α-helix	trans	-68.5	-38.1	-178.8	-59.3	-11.2	0	0	0	111	K384 E412 R416 M477 Y478	K384-D474 IonicContact NZ-OD2 2.81Å; K384-D474 PolarHBondContact NZ-OD2 2.94Å; E412-D474 WeakPolarHBondContact OE2-CB 3.48Å; R416-D474 IonicContact NH2-OD2 2.9Å; D474-M477 PolarHBondContact O-N 3.21Å; D474-Y478 WeakPolarHBondContact O-CB 3.28Å; D474-Y478 PolarHBondContact O-N 3.21Å
475	T	61	Low	59.2	Low	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-46.2	175.3	-61.6	0	0	0	0	111.1	E412 F419 F467 Y473 Y478 I479	E412-T475 WeakPolarHBondContact CG-OG1 3.42Å; E412-T475 WeakPolarHBondContact OE1-CB 3.29Å; E412-T475 PolarHBondContact OE1-N 3.29Å; E412-T475 PolarHBondContact OE1-OG1 3.24Å; F419-T475 HydrophobicContact CD2-CG2 4.41Å; F419-T475 HydrophobicContact CE2-CG2 3.43Å; F419-T475 VanDerWaalsContact CE2-CG2 3.43Å; F419-T475 HydrophobicContact CZ-CG2 3.91Å; F467-T475 HydrophobicContact CD1-CG2 3.74Å; F467-T475 HydrophobicContact CD2-CG2 4.04Å; F467-T475 HydrophobicContact CE1-CG2 3.57Å; F467-T475 HydrophobicContact CE2-CG2 3.87Å; F467-T475 HydrophobicContact CG-CG2 3.98Å; F467-T475 HydrophobicContact CZ-CG2 3.65Å; Y473-T475 VanDerWaalsContact C-N 3.32Å; Y473-T475 PolarHBondContact O-N 3.34Å; T475-Y478 WeakPolarHBondContact O-CB 3.41Å; T475-Y478 PolarHBondContact O-N 2.94Å; T475-I479 HydrophobicContact CG2-CD1 3.85Å; T475-I479 WeakPolarHBondContact O-CB 3.48Å; T475-I479 VanDerWaalsContact O-CG1 3.29Å; T475-I479 WeakPolarHBondContact O-CG1 3.44Å; T475-I479 PolarHBondContact O-N 3.35Å
476	A	58.7	Low	59.6	Low	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-36.4	177.4	0	0	0	0	0	112.3	L464 F467 V468 C472 Y473 I479 S480 Y529	L464-A476 HydrophobicContact CD2-CB 3.58Å; L464-A476 WeakPolarHBondContact CD2-O 3.36Å; F467-A476 HydrophobicContact CB-CB 4.03Å; V468-A476 HydrophobicContact CG2-CB 4.14Å; C472-A476 PolarHBondContact O-N 2.95Å; Y473-A476 PolarHBondContact O-N 3.5Å; A476-I479 PolarHBondContact O-N 3.21Å; A476-S480 WeakPolarHBondContact O-CB 3.24Å; A476-S480 PolarHBondContact O-N 3.49Å; A476-S480 PolarHBondContact O-OG 2.9Å; A476-Y529 HydrophobicContact CB-CE2 4.46Å; A476-Y529 WeakPolarHBondContact CB-OH 3.47Å
477	M	55.4	Low	59.4	Low	97 Å²	97	38.9 Å²	38.9	48%	0.478	19%	0.189	S	C	.	.	H	α-helix	trans	-61.7	-44.8	171.8	-167.4	-174.5	-48	0	0	111.8	Y473 D474 I479 S480 L481	Y473-M477 WeakPolarHBondContact O-CB 3.1Å; Y473-M477 PolarHBondContact O-N 3.4Å; D474-M477 PolarHBondContact O-N 3.21Å; M477-I479 PolarHBondContact O-N 2.95Å; M477-S480 WeakPolarHBondContact O-CB 3.45Å; M477-S480 PolarHBondContact O-N 3.37Å; M477-L481 HydrophobicContact CG-CD1 4.43Å; M477-L481 PolarHBondContact O-N 2.91Å
478	Y	60.2	Low	59.1	Low	59 Å²	59	41.7 Å²	41.7	23%	0.231	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-46.9	175.8	-178.2	-95.1	0	0	0	111.8	F419 N420 D474 T475 S480 L481 V482	F419-Y478 HydrophobicContact CB-CD1 4.1Å; F419-Y478 HydrophobicContact CB-CE1 3.55Å; F419-Y478 HydrophobicContact CD2-CD1 4.22Å; F419-Y478 HydrophobicContact CD2-CE1 4.46Å; F419-Y478 HydrophobicContact CG-CE1 4.44Å; N420-Y478 PolarHBondContact OD1-OH 2.92Å; D474-Y478 WeakPolarHBondContact O-CB 3.28Å; D474-Y478 PolarHBondContact O-N 3.21Å; T475-Y478 WeakPolarHBondContact O-CB 3.41Å; T475-Y478 PolarHBondContact O-N 2.94Å; Y478-S480 VanDerWaalsContact C-N 3.26Å; Y478-S480 PolarHBondContact O-N 2.96Å; Y478-L481 WeakPolarHBondContact O-CB 3.48Å; Y478-L481 PolarHBondContact O-N 3.4Å; Y478-V482 HydrophobicContact CD1-CG2 4.01Å; Y478-V482 HydrophobicContact CE1-CG2 3.59Å; Y478-V482 WeakPolarHBondContact O-CG2 3.44Å; Y478-V482 PolarHBondContact O-N 2.81Å
479	I	63.1	Low	59.4	Low	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-37.4	177.2	-73.1	167.7	0	0	0	111.3	L374 T460 L464 F467 T475 A476 M477 V482 T483	L374-I479 HydrophobicContact CD2-CD1 3.62Å; L374-I479 HydrophobicContact CD2-CG1 4.17Å; T460-I479 HydrophobicContact CG2-CG2 3.19Å; L464-I479 HydrophobicContact CD1-CG2 4.39Å; L464-I479 HydrophobicContact CD2-CB 4.2Å; L464-I479 HydrophobicContact CD2-CG2 3.96Å; L464-I479 HydrophobicContact CG-CG2 3.84Å; F467-I479 HydrophobicContact CD2-CD1 3.65Å; F467-I479 HydrophobicContact CE2-CD1 3.51Å; F467-I479 HydrophobicContact CZ-CD1 4.47Å; T475-I479 HydrophobicContact CG2-CD1 3.85Å; T475-I479 WeakPolarHBondContact O-CB 3.48Å; T475-I479 VanDerWaalsContact O-CG1 3.29Å; T475-I479 WeakPolarHBondContact O-CG1 3.44Å; T475-I479 PolarHBondContact O-N 3.35Å; A476-I479 PolarHBondContact O-N 3.21Å; M477-I479 PolarHBondContact O-N 2.95Å; I479-V482 PolarHBondContact O-N 3.35Å; I479-T483 PolarHBondContact O-N 3.2Å; I479-T483 PolarHBondContact O-OG1 3.38Å
480	S	57.6	Low	59.6	Low	16 Å²	16	37.2 Å²	37.2	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-67.2	-43.8	176.3	-56.4	0	0	0	0	111.6	L464 A476 M477 Y478 T483 A484	L464-S480 WeakPolarHBondContact CD2-OG 3.5Å; A476-S480 WeakPolarHBondContact O-CB 3.24Å; A476-S480 PolarHBondContact O-N 3.49Å; A476-S480 PolarHBondContact O-OG 2.9Å; M477-S480 WeakPolarHBondContact O-CB 3.45Å; M477-S480 PolarHBondContact O-N 3.37Å; Y478-S480 VanDerWaalsContact C-N 3.26Å; Y478-S480 PolarHBondContact O-N 2.96Å; S480-T483 WeakPolarHBondContact O-CB 3.39Å; S480-T483 PolarHBondContact O-N 3.29Å; S480-A484 PolarHBondContact O-N 3.26Å
481	L	57.5	Low	59.6	Low	106 Å²	106	37.3 Å²	37.3	56%	0.555	18%	0.179	S	C	*	.	H	α-helix	trans	-59.6	-45.9	174.3	-106.8	140.7	0	0	0	111.9	M477 Y478 T483 A484 C485	M477-L481 HydrophobicContact CG-CD1 4.43Å; M477-L481 PolarHBondContact O-N 2.91Å; Y478-L481 WeakPolarHBondContact O-CB 3.48Å; Y478-L481 PolarHBondContact O-N 3.4Å; L481-T483 VanDerWaalsContact C-N 3.29Å; L481-T483 PolarHBondContact O-N 2.83Å; L481-A484 WeakPolarHBondContact O-CB 3.43Å; L481-A484 PolarHBondContact O-N 3.41Å; L481-C485 PolarHBondContact O-N 2.9Å; L481-C485 PolarHBondContact O-SG 2.83Å; L481-C485 VanDerWaalsContact O-SG 3.34Å
482	V	60.1	Low	59.8	Low	11 Å²	11	39.7 Å²	39.7	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-43	174.7	167.6	0	0	0	0	110.9	L422 Y478 I479 C485 W486	L422-V482 HydrophobicContact CB-CG1 3.65Å; L422-V482 HydrophobicContact CD1-CG1 4.25Å; Y478-V482 HydrophobicContact CD1-CG2 4.01Å; Y478-V482 HydrophobicContact CE1-CG2 3.59Å; Y478-V482 WeakPolarHBondContact O-CG2 3.44Å; Y478-V482 PolarHBondContact O-N 2.81Å; I479-V482 PolarHBondContact O-N 3.35Å; V482-C485 WeakPolarHBondContact O-CB 3.39Å; V482-C485 PolarHBondContact O-N 3.23Å; V482-W486 HydrophobicContact CG1-CD2 4.21Å; V482-W486 HydrophobicContact CG1-CH2 4.13Å; V482-W486 HydrophobicContact CG1-CZ2 3.67Å; V482-W486 VanDerWaalsContact O-CG 3.27Å; V482-W486 PolarHBondContact O-N 3.25Å
483	T	62.1	Low	60	Low	3 Å²	3	40.2 Å²	40.2	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-41	177.3	-59.8	0	0	0	0	112.7	V457 T460 I479 S480 L481 C485 W486 I487	V457-T483 HydrophobicContact CG2-CG2 3.93Å; T460-T483 WeakPolarHBondContact CB-OG1 2.91Å; T460-T483 HydrophobicContact CG2-CG2 4.41Å; T460-T483 WeakPolarHBondContact CG2-OG1 2.93Å; T460-T483 PolarHBondContact OG1-OG1 3.47Å; I479-T483 PolarHBondContact O-N 3.2Å; I479-T483 PolarHBondContact O-OG1 3.38Å; S480-T483 WeakPolarHBondContact O-CB 3.39Å; S480-T483 PolarHBondContact O-N 3.29Å; L481-T483 VanDerWaalsContact C-N 3.29Å; L481-T483 PolarHBondContact O-N 2.83Å; T483-C485 VanDerWaalsContact C-N 3.32Å; T483-C485 PolarHBondContact O-N 2.73Å; T483-W486 WeakPolarHBondContact O-CB 3.21Å; T483-W486 PolarHBondContact O-N 3.41Å; T483-W486 VanDerWaalsContact O-N 3.15Å; T483-I487 HydrophobicContact CG2-CD1 4.33Å; T483-I487 WeakPolarHBondContact O-CG1 3.4Å; T483-I487 PolarHBondContact O-N 3.08Å; T483-I487 VanDerWaalsContact O-N 3.08Å
484	A	56.2	Low	60.3	Low	19 Å²	19	39.5 Å²	39.5	16%	0.157	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-43.1	172.8	0	0	0	0	0	111.6	S480 L481 W486 I487 N488 V524	S480-A484 PolarHBondContact O-N 3.26Å; L481-A484 WeakPolarHBondContact O-CB 3.43Å; L481-A484 PolarHBondContact O-N 3.41Å; A484-W486 PolarHBondContact O-N 2.92Å; A484-I487 PolarHBondContact O-N 3.23Å; A484-N488 WeakPolarHBondContact O-CB 3.23Å; A484-N488 PolarHBondContact O-N 2.96Å; A484-V524 HydrophobicContact CB-CG1 3.81Å
485	C	59.4	Low	60.5	Low	51 Å²	51	40.3 Å²	40.3	35%	0.345	19%	0.193	S	C	.	.	H	α-helix	trans	-59	-35.1	174.8	-72.4	0	0	0	0	111.8	V424 L481 V482 T483 N488 W489	V424-C485 HydrophobicContact CG2-CB 4.35Å; L481-C485 PolarHBondContact O-N 2.9Å; L481-C485 PolarHBondContact O-SG 2.83Å; L481-C485 VanDerWaalsContact O-SG 3.34Å; V482-C485 WeakPolarHBondContact O-CB 3.39Å; V482-C485 PolarHBondContact O-N 3.23Å; T483-C485 VanDerWaalsContact C-N 3.32Å; T483-C485 PolarHBondContact O-N 2.73Å; C485-N488 WeakPolarHBondContact O-CB 3.39Å; C485-N488 PolarHBondContact O-N 3.19Å; C485-W489 WeakPolarHBondContact O-CB 3.25Å; C485-W489 PolarHBondContact O-N 2.86Å
486	W	64.7	Low	60.5	Low	3 Å²	3	45.1 Å²	45.1	1%	0.011	22%	0.219	C	C	.	.	H	α-helix	trans	-70.9	-41.1	177	-65.2	-5.6	0	0	0	113.7	L422 L427 T453 M456 V482 T483 A484 N488 W489 L490	L422-W486 HydrophobicContact CB-CH2 4.24Å; L422-W486 HydrophobicContact CB-CZ2 3.64Å; L422-W486 HydrophobicContact CD1-CH2 4.07Å; L422-W486 HydrophobicContact CD1-CZ2 4.32Å; L422-W486 HydrophobicContact CD2-CH2 3.63Å; L422-W486 HydrophobicContact CD2-CZ2 3.61Å; L422-W486 HydrophobicContact CG-CH2 4.18Å; L422-W486 HydrophobicContact CG-CZ2 4.03Å; L422-W486 PolarHBondContact O-NE1 3.4Å; L427-W486 HydrophobicContact CD1-CD2 4.44Å; L427-W486 HydrophobicContact CD1-CG 3.97Å; T453-W486 HydrophobicContact CG2-CB 4.37Å; M456-W486 HydrophobicContact CB-CD2 4.38Å; M456-W486 HydrophobicContact CB-CE3 3.39Å; M456-W486 HydrophobicContact CB-CH2 3.88Å; M456-W486 HydrophobicContact CB-CZ3 3.13Å; M456-W486 HydrophobicContact CE-CH2 3.09Å; M456-W486 HydrophobicContact CE-CZ2 3.67Å; M456-W486 HydrophobicContact CE-CZ3 3.87Å; M456-W486 HydrophobicContact CG-CD2 4.36Å; M456-W486 HydrophobicContact CG-CE3 3.74Å; M456-W486 HydrophobicContact CG-CH2 3.52Å; M456-W486 HydrophobicContact CG-CZ2 4.09Å; M456-W486 HydrophobicContact CG-CZ3 3.34Å; M456-W486 HydrophobicContact SD-CH2 4.08Å; M456-W486 HydrophobicContact SD-CZ3 4.31Å; V482-W486 HydrophobicContact CG1-CD2 4.21Å; V482-W486 HydrophobicContact CG1-CH2 4.13Å; V482-W486 HydrophobicContact CG1-CZ2 3.67Å; V482-W486 VanDerWaalsContact O-CG 3.27Å; V482-W486 PolarHBondContact O-N 3.25Å; T483-W486 WeakPolarHBondContact O-CB 3.21Å; T483-W486 PolarHBondContact O-N 3.41Å; T483-W486 VanDerWaalsContact O-N 3.15Å; A484-W486 PolarHBondContact O-N 2.92Å; W486-N488 VanDerWaalsContact C-N 3.29Å; W486-N488 PolarHBondContact O-N 3.04Å; W486-W489 WeakPolarHBondContact O-CB 3.46Å; W486-W489 PolarHBondContact O-N 2.83Å; W486-L490 PolarHBondContact O-N 3.39Å
487	I	58.7	Low	60.4	Low	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-35.7	176.1	-57.4	162.7	0	0	0	110	T453 T483 A484 L490 Y491 K521	T453-I487 HydrophobicContact CG2-CG1 4.47Å; T483-I487 HydrophobicContact CG2-CD1 4.33Å; T483-I487 WeakPolarHBondContact O-CG1 3.4Å; T483-I487 PolarHBondContact O-N 3.08Å; T483-I487 VanDerWaalsContact O-N 3.08Å; A484-I487 PolarHBondContact O-N 3.23Å; I487-L490 WeakPolarHBondContact O-CB 3.26Å; I487-L490 PolarHBondContact O-N 3.11Å; I487-Y491 PolarHBondContact O-N 2.88Å; I487-K521 HydrophobicContact CB-CB 4.08Å; I487-K521 HydrophobicContact CD1-CB 3.84Å; I487-K521 HydrophobicContact CG2-CB 3.65Å; I487-K521 HydrophobicContact CG2-CD 4.19Å; I487-K521 HydrophobicContact CG2-CG 4.43Å
488	N	58.2	Low	60.4	Low	58 Å²	58	43.7 Å²	43.7	31%	0.31	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-41.3	169.5	-82.2	-19.6	0	0	0	112.5	A484 C485 W486 L490 Y491 Y492 K521	A484-N488 WeakPolarHBondContact O-CB 3.23Å; A484-N488 PolarHBondContact O-N 2.96Å; C485-N488 WeakPolarHBondContact O-CB 3.39Å; C485-N488 PolarHBondContact O-N 3.19Å; W486-N488 VanDerWaalsContact C-N 3.29Å; W486-N488 PolarHBondContact O-N 3.04Å; N488-L490 VanDerWaalsContact C-N 3.33Å; N488-L490 PolarHBondContact O-N 2.71Å; N488-Y491 VanDerWaalsContact O-CB 3.26Å; N488-Y491 WeakPolarHBondContact O-CB 3.36Å; N488-Y491 PolarHBondContact O-N 3.26Å; N488-Y491 VanDerWaalsContact O-N 3.1Å; N488-Y492 WeakPolarHBondContact O-CD2 3.39Å; N488-Y492 PolarHBondContact O-N 3.02Å; N488-K521 WeakPolarHBondContact OD1-CE 3.49Å; N488-K521 PolarHBondContact OD1-NZ 3.45Å
489	W	63.7	Low	60.3	Low	27 Å²	27	44.1 Å²	44.1	10%	0.102	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-41	175.8	171	72.7	0	0	0	112	L427 Y449 L452 C485 W486 Y491 Y492 V493	L427-W489 HydrophobicContact CD1-CE3 4.47Å; Y449-W489 AromaticContact CD1-CH2 3.26Å; Y449-W489 HydrophobicContact CD1-CH2 3.26Å; Y449-W489 AromaticContact CD1-CZ2 3.65Å; Y449-W489 HydrophobicContact CD1-CZ2 3.65Å; Y449-W489 AromaticContact CD1-CZ3 3.99Å; Y449-W489 HydrophobicContact CD1-CZ3 3.99Å; Y449-W489 AromaticContact CE1-CH2 3.53Å; Y449-W489 HydrophobicContact CE1-CH2 3.53Å; Y449-W489 AromaticContact CE1-CZ2 3.44Å; Y449-W489 HydrophobicContact CE1-CZ2 3.44Å; Y449-W489 VanDerWaalsContact CE1-CZ2 3.44Å; Y449-W489 HydrophobicContact CG-CH2 4.48Å; L452-W489 HydrophobicContact CD2-CH2 4.18Å; L452-W489 HydrophobicContact CD2-CZ3 4.42Å; C485-W489 WeakPolarHBondContact O-CB 3.25Å; C485-W489 PolarHBondContact O-N 2.86Å; W486-W489 WeakPolarHBondContact O-CB 3.46Å; W486-W489 PolarHBondContact O-N 2.83Å; W489-Y491 PolarHBondContact O-N 3.01Å; W489-Y492 PolarHBondContact O-N 2.86Å; W489-V493 HydrophobicContact CD2-CG2 4.16Å; W489-V493 HydrophobicContact CZ2-CG2 4.06Å; W489-V493 WeakPolarHBondContact O-CG2 3.29Å; W489-V493 PolarHBondContact O-N 3.25Å
490	L	63.6	Low	60	Low	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.3	-34.6	171.4	-103.5	174.3	0	0	0	113	W446 T450 T453 W486 I487 N488 R494 L517	W446-L490 HydrophobicContact CH2-CD2 3.8Å; W446-L490 HydrophobicContact CZ3-CD2 3.82Å; T450-L490 HydrophobicContact CG2-CD2 3.9Å; T453-L490 VanDerWaalsContact CB-CD1 3.41Å; T453-L490 HydrophobicContact CG2-CD1 3.45Å; T453-L490 VanDerWaalsContact CG2-CD1 3.45Å; T453-L490 HydrophobicContact CG2-CG 4.35Å; T453-L490 VanDerWaalsContact OG1-CD1 3.25Å; T453-L490 WeakPolarHBondContact OG1-CD1 3.39Å; T453-L490 WeakPolarHBondContact OG1-CG 3.46Å; W486-L490 PolarHBondContact O-N 3.39Å; I487-L490 WeakPolarHBondContact O-CB 3.26Å; I487-L490 PolarHBondContact O-N 3.11Å; N488-L490 VanDerWaalsContact C-N 3.33Å; N488-L490 PolarHBondContact O-N 2.71Å; L490-R494 VanDerWaalsContact O-CB 3.28Å; L490-R494 WeakPolarHBondContact O-CB 3.46Å; L490-R494 PolarHBondContact O-N 3.34Å; L490-L517 HydrophobicContact CD1-CB 4.49Å; L490-L517 HydrophobicContact CD1-CD1 3.43Å; L490-L517 VanDerWaalsContact CD1-CD1 3.43Å
491	Y	61.5	Low	59.9	Low	99 Å²	99	46.5 Å²	46.5	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-65.5	-42.4	175.1	179	-104.9	0	0	0	112.1	I487 N488 W489 R494 N495 Y514	I487-Y491 PolarHBondContact O-N 2.88Å; N488-Y491 VanDerWaalsContact O-CB 3.26Å; N488-Y491 WeakPolarHBondContact O-CB 3.36Å; N488-Y491 PolarHBondContact O-N 3.26Å; N488-Y491 VanDerWaalsContact O-N 3.1Å; W489-Y491 PolarHBondContact O-N 3.01Å; Y491-R494 WeakPolarHBondContact O-CB 3.27Å; Y491-R494 PolarHBondContact O-N 3.23Å; Y491-N495 VanDerWaalsContact CE1-ND2 3.27Å; Y491-N495 WeakPolarHBondContact CE1-ND2 3.37Å; Y491-N495 PolarHBondContact O-N 3.18Å; Y491-Y514 HydrophobicContact CD2-CE1 4.31Å; Y491-Y514 HydrophobicContact CD2-CE2 4.12Å; Y491-Y514 AromaticContact CD2-CZ 3.61Å; Y491-Y514 WeakPolarHBondContact CD2-OH 3.34Å
492	Y	62.9	Low	59.8	Low	157 Å²	157	50.3 Å²	50.3	62%	0.616	27%	0.27	S	S	*	.	H	α-helix	trans	-64.5	-45.8	175.2	-69	-71.2	0	0	0	111.6	N488 W489 R494 N495 D496	N488-Y492 WeakPolarHBondContact O-CD2 3.39Å; N488-Y492 PolarHBondContact O-N 3.02Å; W489-Y492 PolarHBondContact O-N 2.86Å; Y492-R494 VanDerWaalsContact C-N 3.31Å; Y492-R494 PolarHBondContact O-N 2.81Å; Y492-N495 PolarHBondContact O-N 2.94Å; Y492-N495 VanDerWaalsContact O-N 3.16Å; Y492-D496 PolarHBondContact O-N 3.47Å; Y492-D496 VanDerWaalsContact O-N 3.11Å
493	V	63.4	Low	59.4	Low	10 Å²	10	52 Å²	52	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-41.2	175.5	170.2	0	0	0	0	111.5	W446 Y449 W489 D496 L497	W446-V493 HydrophobicContact CE3-CG1 4.28Å; W446-V493 HydrophobicContact CZ3-CG1 4.29Å; Y449-V493 HydrophobicContact CD1-CG1 4.1Å; Y449-V493 HydrophobicContact CD1-CG2 4.28Å; Y449-V493 HydrophobicContact CD2-CG1 3.31Å; Y449-V493 HydrophobicContact CE1-CG1 4.33Å; Y449-V493 HydrophobicContact CE1-CG2 4.16Å; Y449-V493 HydrophobicContact CE2-CG1 3.6Å; Y449-V493 HydrophobicContact CG-CG1 3.6Å; W489-V493 HydrophobicContact CD2-CG2 4.16Å; W489-V493 HydrophobicContact CZ2-CG2 4.06Å; W489-V493 WeakPolarHBondContact O-CG2 3.29Å; W489-V493 PolarHBondContact O-N 3.25Å; V493-D496 PolarHBondContact O-N 2.95Å; V493-L497 HydrophobicContact CG1-CD1 3.7Å; V493-L497 WeakPolarHBondContact O-CB 3.38Å; V493-L497 PolarHBondContact O-N 3.47Å
494	R	63.1	Low	58.8	Low	60 Å²	60	59.9 Å²	59.9	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-47.4	174.9	-177.4	-174.2	166.2	-153.9	-4.3	110.6	W446 L490 Y491 Y492 D496 L497 S498 E511	W446-R494 HydrophobicContact CH2-CB 3.65Å; W446-R494 HydrophobicContact CH2-CG 4Å; W446-R494 HydrophobicContact CZ3-CB 3.54Å; W446-R494 HydrophobicContact CZ3-CG 4.17Å; L490-R494 VanDerWaalsContact O-CB 3.28Å; L490-R494 WeakPolarHBondContact O-CB 3.46Å; L490-R494 PolarHBondContact O-N 3.34Å; Y491-R494 WeakPolarHBondContact O-CB 3.27Å; Y491-R494 PolarHBondContact O-N 3.23Å; Y492-R494 VanDerWaalsContact C-N 3.31Å; Y492-R494 PolarHBondContact O-N 2.81Å; R494-D496 VanDerWaalsContact C-N 3.28Å; R494-D496 PolarHBondContact O-N 2.82Å; R494-L497 PolarHBondContact O-N 2.77Å; R494-S498 WeakPolarHBondContact O-CA 3.47Å; R494-S498 WeakPolarHBondContact O-CB 3.2Å; R494-S498 PolarHBondContact O-N 3.18Å; R494-S498 PolarHBondContact O-OG 3.24Å; R494-E511 IonicContact CZ-OE1 2.73Å; R494-E511 IonicContact NH2-OE1 3.12Å; R494-E511 PolarHBondContact NH2-OE1 3.16Å
495	N	58.6	Low	58.4	Low	70 Å²	70	64.3 Å²	64.3	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-41.5	-179	-74.9	-19.8	0	0	0	111.2	Y491 Y492 S498	Y491-N495 VanDerWaalsContact CE1-ND2 3.27Å; Y491-N495 WeakPolarHBondContact CE1-ND2 3.37Å; Y491-N495 PolarHBondContact O-N 3.18Å; Y492-N495 PolarHBondContact O-N 2.94Å; Y492-N495 VanDerWaalsContact O-N 3.16Å; N495-S498 PolarHBondContact O-OG 3.28Å
496	D	61	Low	57.9	Low	100 Å²	100	64 Å²	64	54%	0.535	34%	0.335	S	S	.	.	H	α-helix	trans	-68.5	-40.7	176.8	-73.8	-12.7	0	0	0	113	Y492 V493 R494	Y492-D496 PolarHBondContact O-N 3.47Å; Y492-D496 VanDerWaalsContact O-N 3.11Å; V493-D496 PolarHBondContact O-N 2.95Å; R494-D496 VanDerWaalsContact C-N 3.28Å; R494-D496 PolarHBondContact O-N 2.82Å
497	L	58.2	Low	57.3	Low	19 Å²	19	69.6 Å²	69.6	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-80.7	-27.2	-179.7	-75.2	168.7	0	0	0	113.9	K445 W446 Y449 V493 R494 G499 S500 L501	K445-L497 HydrophobicContact CB-CD1 4.37Å; K445-L497 HydrophobicContact CB-CD2 4.3Å; W446-L497 HydrophobicContact CB-CD1 4.01Å; W446-L497 HydrophobicContact CE3-CD1 4.02Å; Y449-L497 HydrophobicContact CD2-CD1 3.9Å; Y449-L497 HydrophobicContact CE2-CD1 4.09Å; V493-L497 HydrophobicContact CG1-CD1 3.7Å; V493-L497 WeakPolarHBondContact O-CB 3.38Å; V493-L497 PolarHBondContact O-N 3.47Å; R494-L497 PolarHBondContact O-N 2.77Å; L497-G499 PolarHBondContact O-N 3.45Å; L497-S500 CarbonylContact O-C 2.89Å; L497-S500 WeakPolarHBondContact O-CA 3.36Å; L497-S500 WeakPolarHBondContact O-CB 3.3Å; L497-S500 PolarHBondContact O-N 3.23Å; L497-L501 PolarHBondContact O-N 3.04Å
498	S	55.5	Low	56.6	Low	48 Å²	48	72.7 Å²	72.7	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-32.1	-177.6	66	0	0	0	0	112.8	R494 N495 S500	R494-S498 WeakPolarHBondContact O-CA 3.47Å; R494-S498 WeakPolarHBondContact O-CB 3.2Å; R494-S498 PolarHBondContact O-N 3.18Å; R494-S498 PolarHBondContact O-OG 3.24Å; N495-S498 PolarHBondContact O-OG 3.28Å; S498-S500 PolarHBondContact O-N 3.38Å
499	G	57.5	Low	56.1	Low	68 Å²	68	73.6 Å²	73.6	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	172.2	0	0	0	0	0	113.6	L497	L497-G499 PolarHBondContact O-N 3.45Å
500	S	57.3	Low	55.5	Low	60 Å²	60	72.4 Å²	72.4	42%	0.42	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-15.3	-174.1	-47.5	0	0	0	0	113.6	S442 L497 S498 Q502	S442-S500 WeakPolarHBondContact OG-CB 3.49Å; L497-S500 CarbonylContact O-C 2.89Å; L497-S500 WeakPolarHBondContact O-CA 3.36Å; L497-S500 WeakPolarHBondContact O-CB 3.3Å; L497-S500 PolarHBondContact O-N 3.23Å; S498-S500 PolarHBondContact O-N 3.38Å; S500-Q502 PolarHBondContact O-N 3.07Å
501	L	55.1	Low	54.9	Low	8 Å²	8	76.8 Å²	76.8	4%	0.042	40%	0.398	C	S	.	.			trans	-78.1	100.1	173.6	-65.2	170.8	0	0	0	108.6	L443 L497 D506 R507 A510	L443-L501 HydrophobicContact CB-CD2 4.28Å; L443-L501 HydrophobicContact CD1-CD2 4.44Å; L497-L501 PolarHBondContact O-N 3.04Å; L501-D506 HydrophobicContact CD2-CB 4.16Å; L501-R507 HydrophobicContact CB-CG 3.99Å; L501-R507 PolarHBondContact O-NE 3.35Å; L501-R507 PolarHBondContact O-NH2 3.01Å; L501-A510 HydrophobicContact CD1-CB 3.94Å
502	Q	54.4	Low	54.1	Low	185 Å²	185	74.6 Å²	74.6	86%	0.864	39%	0.392	S	S	*	.			trans	-80.4	-35.7	-174.9	-68.1	-168.5	-1.9	0	0	113.3	S500	S500-Q502 PolarHBondContact O-N 3.07Å
503	S	52.3	Low	53.6	Low	46 Å²	46	69 Å²	69	32%	0.322	37%	0.372	S	S	.	.	S	Bend	trans	-84.8	140.2	-177.8	94.2	0	0	0	0	111.5	N505 D506 R507	S503-N505 PolarHBondContact O-N 3.3Å; S503-D506 WeakPolarHBondContact CB-OD2 3.3Å; S503-D506 PolarHBondContact O-N 3.4Å; S503-D506 WeakPolarHBondContact OG-CB 3.43Å; S503-D506 PolarHBondContact OG-N 2.64Å; S503-D506 VanDerWaalsContact OG-N 3.11Å; S503-D506 PolarHBondContact OG-OD1 3.45Å; S503-D506 PolarHBondContact OG-OD2 3.22Å; S503-R507 PolarHBondContact O-N 2.85Å
504	E	49.1	Very low	53	Low	169 Å²	169	69.7 Å²	69.7	79%	0.79	37%	0.373	S	S	*	.	H	α-helix	trans	-62.6	-33.4	178.1	-168	167.1	-160.4	0	0	111.8	R507 S508	E504-R507 PolarHBondContact O-N 3.33Å; E504-S508 PolarHBondContact O-N 3.11Å
505	N	48.7	Very low	52.1	Low	113 Å²	113	69.8 Å²	69.8	60%	0.604	38%	0.378	S	S	*	.	H	α-helix	trans	-67.9	-41.8	178	-152.8	18.8	0	0	0	111.9	S503 R507 S508 I509	S503-N505 PolarHBondContact O-N 3.3Å; N505-R507 VanDerWaalsContact C-N 3.28Å; N505-R507 PolarHBondContact O-N 3.4Å; N505-S508 PolarHBondContact O-N 3.38Å; N505-I509 WeakPolarHBondContact O-CG1 3.34Å; N505-I509 PolarHBondContact O-N 3.27Å
506	D	48.2	Very low	51.5	Low	43 Å²	43	73.8 Å²	73.8	23%	0.23	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-36.8	175.8	-63.5	-29.1	0	0	0	111.6	L443 L501 S503 A510	L443-D506 HydrophobicContact CD1-CB 4.13Å; L443-D506 WeakPolarHBondContact CD2-OD1 3.47Å; L501-D506 HydrophobicContact CD2-CB 4.16Å; S503-D506 WeakPolarHBondContact CB-OD2 3.3Å; S503-D506 PolarHBondContact O-N 3.4Å; S503-D506 WeakPolarHBondContact OG-CB 3.43Å; S503-D506 PolarHBondContact OG-N 2.64Å; S503-D506 VanDerWaalsContact OG-N 3.11Å; S503-D506 PolarHBondContact OG-OD1 3.45Å; S503-D506 PolarHBondContact OG-OD2 3.22Å; D506-A510 VanDerWaalsContact O-CB 3.23Å; D506-A510 WeakPolarHBondContact O-CB 3.48Å; D506-A510 PolarHBondContact O-N 3.38Å
507	R	52.1	Low	50.9	Low	122 Å²	122	69.2 Å²	69.2	46%	0.46	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-44.1	173.7	-69.8	179.7	-176.8	172.1	3.4	111.4	L501 S503 E504 N505 A510 E511	L501-R507 HydrophobicContact CB-CG 3.99Å; L501-R507 PolarHBondContact O-NE 3.35Å; L501-R507 PolarHBondContact O-NH2 3.01Å; S503-R507 PolarHBondContact O-N 2.85Å; E504-R507 PolarHBondContact O-N 3.33Å; N505-R507 VanDerWaalsContact C-N 3.28Å; N505-R507 PolarHBondContact O-N 3.4Å; R507-A510 PolarHBondContact O-N 3.33Å; R507-E511 WeakPolarHBondContact O-CB 3.43Å; R507-E511 WeakPolarHBondContact O-CG 3.33Å; R507-E511 PolarHBondContact O-N 2.93Å
508	S	45.2	Very low	50.3	Low	64 Å²	64	69.3 Å²	69.3	45%	0.448	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-48.2	178.6	-175.4	0	0	0	0	112.2	E504 N505 A510 E511 E512	E504-S508 PolarHBondContact O-N 3.11Å; N505-S508 PolarHBondContact O-N 3.38Å; S508-A510 VanDerWaalsContact C-N 3.29Å; S508-A510 PolarHBondContact O-N 3.05Å; S508-E511 PolarHBondContact O-N 2.88Å; S508-E512 WeakPolarHBondContact O-CB 3.27Å; S508-E512 PolarHBondContact O-N 3.4Å
509	I	46.3	Very low	49.7	Very low	77 Å²	77	68 Å²	68	40%	0.395	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-41.2	176.2	-65	169.4	0	0	0	110.7	N505 E512 M513	N505-I509 WeakPolarHBondContact O-CG1 3.34Å; N505-I509 PolarHBondContact O-N 3.27Å; I509-E512 PolarHBondContact O-N 3.48Å; I509-M513 PolarHBondContact O-N 2.93Å; I509-M513 VanDerWaalsContact O-N 3.09Å
510	A	52	Low	49.2	Very low	3 Å²	3	68.1 Å²	68.1	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-43.2	178.1	0	0	0	0	0	112.8	W446 L501 D506 R507 S508 M513 Y514	W446-A510 HydrophobicContact CD2-CB 4.31Å; W446-A510 HydrophobicContact CG-CB 4.32Å; W446-A510 HydrophobicContact CZ2-CB 4.19Å; W446-A510 WeakPolarHBondContact CZ2-O 3.49Å; W446-A510 VanDerWaalsContact NE1-CA 3.25Å; W446-A510 VanDerWaalsContact NE1-CB 3.3Å; L501-A510 HydrophobicContact CD1-CB 3.94Å; D506-A510 VanDerWaalsContact O-CB 3.23Å; D506-A510 WeakPolarHBondContact O-CB 3.48Å; D506-A510 PolarHBondContact O-N 3.38Å; R507-A510 PolarHBondContact O-N 3.33Å; S508-A510 VanDerWaalsContact C-N 3.29Å; S508-A510 PolarHBondContact O-N 3.05Å; A510-M513 PolarHBondContact O-N 3.47Å; A510-Y514 WeakPolarHBondContact O-CB 3.3Å; A510-Y514 PolarHBondContact O-N 3.48Å
511	E	50.6	Low	48.4	Very low	91 Å²	91	68.3 Å²	68.3	43%	0.425	33%	0.333	S	S	.	.	H	α-helix	trans	-64.1	-42.9	175.6	-75.4	-167.6	158.7	0	0	111.8	R494 R507 S508 M513 Y514 I515	R494-E511 IonicContact CZ-OE1 2.73Å; R494-E511 IonicContact NH2-OE1 3.12Å; R494-E511 PolarHBondContact NH2-OE1 3.16Å; R507-E511 WeakPolarHBondContact O-CB 3.43Å; R507-E511 WeakPolarHBondContact O-CG 3.33Å; R507-E511 PolarHBondContact O-N 2.93Å; S508-E511 PolarHBondContact O-N 2.88Å; E511-M513 PolarHBondContact O-N 3.38Å; E511-Y514 PolarHBondContact O-N 3.43Å; E511-I515 WeakPolarHBondContact O-CB 3.36Å; E511-I515 WeakPolarHBondContact O-CD1 3.5Å; E511-I515 WeakPolarHBondContact O-CG1 3.43Å; E511-I515 PolarHBondContact O-N 2.9Å
512	E	45.7	Very low	47.7	Very low	54 Å²	54	71.2 Å²	71.2	25%	0.252	35%	0.35	S	S	.	.	H	α-helix	trans	-56	-52.7	174.9	168.6	171.6	-178	0	0	112.2	S508 I509 Y514 I515 R516 R608	S508-E512 WeakPolarHBondContact O-CB 3.27Å; S508-E512 PolarHBondContact O-N 3.4Å; I509-E512 PolarHBondContact O-N 3.48Å; E512-Y514 VanDerWaalsContact C-N 3.31Å; E512-Y514 PolarHBondContact O-N 2.87Å; E512-I515 PolarHBondContact O-N 2.82Å; E512-R516 WeakPolarHBondContact O-CG 3.22Å; E512-R516 PolarHBondContact O-N 3.46Å; E512-R516 IonicContact OE1-CZ 2.7Å; E512-R516 IonicContact OE1-NE 2.8Å; E512-R516 PolarHBondContact OE1-NE 3.47Å; E512-R516 IonicContact OE1-NH2 3.3Å; E512-R516 PolarHBondContact OE1-NH2 2.96Å; E512-R608 VanDerWaalsContact CD-CZ 3.49Å; E512-R608 VanDerWaalsContact CG-NH2 3.32Å; E512-R608 IonicContact OE1-CZ 3.1Å; E512-R608 IonicContact OE1-NH1 2.74Å; E512-R608 PolarHBondContact OE1-NH1 2.92Å; E512-R608 IonicContact OE1-NH2 3.23Å; E512-R608 IonicContact OE2-CZ 3.8Å; E512-R608 IonicContact OE2-NH1 2.65Å; E512-R608 PolarHBondContact OE2-NH1 3.48Å; E512-R608 IonicContact OE2-NH2 3.55Å; E512-R608 PolarHBondContact OE2-NH2 3.09Å
513	M	51.1	Low	46.9	Very low	40 Å²	40	64.8 Å²	64.8	20%	0.197	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-42.1	179.8	-83.7	-174.9	126	0	0	111.2	T450 I509 A510 E511 R516 L517	T450-M513 HydrophobicContact CG2-CB 4.14Å; T450-M513 HydrophobicContact CG2-SD 4.12Å; T450-M513 PolarHBondContact OG1-SD 3.42Å; T450-M513 VanDerWaalsContact OG1-SD 3.34Å; I509-M513 PolarHBondContact O-N 2.93Å; I509-M513 VanDerWaalsContact O-N 3.09Å; A510-M513 PolarHBondContact O-N 3.47Å; E511-M513 PolarHBondContact O-N 3.38Å; M513-R516 PolarHBondContact O-N 3.34Å; M513-L517 WeakPolarHBondContact O-CB 3.42Å; M513-L517 WeakPolarHBondContact O-CG 3.33Å; M513-L517 PolarHBondContact O-N 3.4Å
514	Y	51.3	Low	46.3	Very low	24 Å²	24	63.5 Å²	63.5	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-41.3	177.3	178.4	-99	0	0	0	112.1	W446 Y491 A510 E511 E512 L517 S518	W446-Y514 HydrophobicContact CH2-CD2 4.41Å; Y491-Y514 HydrophobicContact CD2-CE1 4.31Å; Y491-Y514 HydrophobicContact CD2-CE2 4.12Å; Y491-Y514 AromaticContact CD2-CZ 3.61Å; Y491-Y514 WeakPolarHBondContact CD2-OH 3.34Å; A510-Y514 WeakPolarHBondContact O-CB 3.3Å; A510-Y514 PolarHBondContact O-N 3.48Å; E511-Y514 PolarHBondContact O-N 3.43Å; E512-Y514 VanDerWaalsContact C-N 3.31Å; E512-Y514 PolarHBondContact O-N 2.87Å; Y514-L517 PolarHBondContact O-N 2.9Å; Y514-S518 WeakPolarHBondContact CE1-OG 3.39Å; Y514-S518 VanDerWaalsContact O-CB 3.23Å; Y514-S518 WeakPolarHBondContact O-CB 3.27Å; Y514-S518 PolarHBondContact O-N 3.39Å; Y514-S518 PolarHBondContact O-OG 2.87Å
515	I	44	Very low	45.6	Very low	62 Å²	62	58.4 Å²	58.4	32%	0.318	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-46.6	177.8	-71.2	163.9	0	0	0	110.2	E511 E512 L517 S518 G519	E511-I515 WeakPolarHBondContact O-CB 3.36Å; E511-I515 WeakPolarHBondContact O-CD1 3.5Å; E511-I515 WeakPolarHBondContact O-CG1 3.43Å; E511-I515 PolarHBondContact O-N 2.9Å; E512-I515 PolarHBondContact O-N 2.82Å; I515-L517 VanDerWaalsContact C-N 3.32Å; I515-L517 PolarHBondContact O-N 3.36Å; I515-S518 PolarHBondContact O-N 3.38Å; I515-S518 VanDerWaalsContact O-N 3.16Å; I515-G519 PolarHBondContact O-N 3.19Å
516	R	45	Very low	44.9	Very low	153 Å²	153	55.8 Å²	55.8	58%	0.577	28%	0.282	S	S	*	.	H	α-helix	trans	-57	-46.6	176.2	-71.8	-175	-170.5	-154.3	6.9	111.4	E512 M513 G519 Y520	E512-R516 WeakPolarHBondContact O-CG 3.22Å; E512-R516 PolarHBondContact O-N 3.46Å; E512-R516 IonicContact OE1-CZ 2.7Å; E512-R516 IonicContact OE1-NE 2.8Å; E512-R516 PolarHBondContact OE1-NE 3.47Å; E512-R516 IonicContact OE1-NH2 3.3Å; E512-R516 PolarHBondContact OE1-NH2 2.96Å; M513-R516 PolarHBondContact O-N 3.34Å; R516-G519 PolarHBondContact O-N 2.86Å; R516-Y520 WeakPolarHBondContact O-CD2 3.49Å
517	L	49.1	Very low	44.2	Very low	5 Å²	5	62.4 Å²	62.4	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-69.9	-32.6	177.5	-69	171.6	0	0	0	112.7	T453 Q454 L490 M513 Y514 I515 G519 Y520 K521	T453-L517 HydrophobicContact CG2-CD1 4.49Å; Q454-L517 HydrophobicContact CG-CD1 4.3Å; Q454-L517 HydrophobicContact CG-CD2 3.85Å; Q454-L517 HydrophobicContact CG-CG 4.48Å; L490-L517 HydrophobicContact CD1-CB 4.49Å; L490-L517 HydrophobicContact CD1-CD1 3.43Å; L490-L517 VanDerWaalsContact CD1-CD1 3.43Å; M513-L517 WeakPolarHBondContact O-CB 3.42Å; M513-L517 WeakPolarHBondContact O-CG 3.33Å; M513-L517 PolarHBondContact O-N 3.4Å; Y514-L517 PolarHBondContact O-N 2.9Å; I515-L517 VanDerWaalsContact C-N 3.32Å; I515-L517 PolarHBondContact O-N 3.36Å; L517-G519 VanDerWaalsContact C-N 3.3Å; L517-G519 PolarHBondContact O-N 3.45Å; L517-Y520 VanDerWaalsContact O-CB 3.31Å; L517-Y520 WeakPolarHBondContact O-CB 2.98Å; L517-Y520 PolarHBondContact O-N 2.93Å; L517-Y520 VanDerWaalsContact O-N 3.16Å; L517-K521 PolarHBondContact O-N 2.98Å; L517-K521 VanDerWaalsContact O-N 3.16Å
518	S	45.3	Very low	43.2	Very low	20 Å²	20	61.6 Å²	61.6	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-68.6	-30.3	173.9	-61.4	0	0	0	0	112	Y514 I515 Y520 K521 V522	Y514-S518 WeakPolarHBondContact CE1-OG 3.39Å; Y514-S518 VanDerWaalsContact O-CB 3.23Å; Y514-S518 WeakPolarHBondContact O-CB 3.27Å; Y514-S518 PolarHBondContact O-N 3.39Å; Y514-S518 PolarHBondContact O-OG 2.87Å; I515-S518 PolarHBondContact O-N 3.38Å; I515-S518 VanDerWaalsContact O-N 3.16Å; S518-Y520 VanDerWaalsContact C-N 3.27Å; S518-Y520 PolarHBondContact O-N 3.08Å; S518-K521 CarbonylContact O-C 3.58Å; S518-K521 WeakPolarHBondContact O-CA 3.46Å; S518-K521 WeakPolarHBondContact O-CB 3.45Å; S518-K521 PolarHBondContact O-N 3.06Å; S518-V522 PolarHBondContact O-N 3.13Å
519	G	43.7	Very low	42.7	Very low	21 Å²	21	61.4 Å²	61.4	22%	0.216	30%	0.302	C	S	.	.	H	α-helix	trans	-56.2	-43.1	168.6	0	0	0	0	0	111.5	I515 R516 L517 K521 V522 I523	I515-G519 PolarHBondContact O-N 3.19Å; R516-G519 PolarHBondContact O-N 2.86Å; L517-G519 VanDerWaalsContact C-N 3.3Å; L517-G519 PolarHBondContact O-N 3.45Å; G519-K521 VanDerWaalsContact C-N 3.33Å; G519-K521 PolarHBondContact O-N 3.16Å; G519-V522 PolarHBondContact O-N 3.23Å; G519-I523 VanDerWaalsContact O-CG1 3.31Å; G519-I523 WeakPolarHBondContact O-CG1 3.32Å; G519-I523 PolarHBondContact O-N 3.05Å
520	Y	46.1	Very low	42.2	Very low	71 Å²	71	59.3 Å²	59.3	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-40.1	170.5	-76.7	-90.6	0	0	0	112	V457 R516 L517 S518 V522 I523 V524	V457-Y520 HydrophobicContact CG1-CD1 3.71Å; V457-Y520 HydrophobicContact CG1-CE1 3.76Å; V457-Y520 HydrophobicContact CG1-CG 4.11Å; R516-Y520 WeakPolarHBondContact O-CD2 3.49Å; L517-Y520 VanDerWaalsContact O-CB 3.31Å; L517-Y520 WeakPolarHBondContact O-CB 2.98Å; L517-Y520 PolarHBondContact O-N 2.93Å; L517-Y520 VanDerWaalsContact O-N 3.16Å; S518-Y520 VanDerWaalsContact C-N 3.27Å; S518-Y520 PolarHBondContact O-N 3.08Å; Y520-V522 PolarHBondContact O-N 3.17Å; Y520-I523 CarbonylContact O-C 3.59Å; Y520-I523 WeakPolarHBondContact O-CB 3.47Å; Y520-I523 PolarHBondContact O-N 3.24Å; Y520-V524 VanDerWaalsContact O-CG2 3.22Å; Y520-V524 WeakPolarHBondContact O-CG2 3.43Å; Y520-V524 PolarHBondContact O-N 2.77Å
521	K	41.8	Very low	41.3	Very low	64 Å²	64	61 Å²	61	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-61.1	-44.2	175	178.4	-177.1	169.9	-171.7	0	111.1	I487 N488 L517 S518 G519 I523 V524 S525	I487-K521 HydrophobicContact CB-CB 4.08Å; I487-K521 HydrophobicContact CD1-CB 3.84Å; I487-K521 HydrophobicContact CG2-CB 3.65Å; I487-K521 HydrophobicContact CG2-CD 4.19Å; I487-K521 HydrophobicContact CG2-CG 4.43Å; N488-K521 WeakPolarHBondContact OD1-CE 3.49Å; N488-K521 PolarHBondContact OD1-NZ 3.45Å; L517-K521 PolarHBondContact O-N 2.98Å; L517-K521 VanDerWaalsContact O-N 3.16Å; S518-K521 CarbonylContact O-C 3.58Å; S518-K521 WeakPolarHBondContact O-CA 3.46Å; S518-K521 WeakPolarHBondContact O-CB 3.45Å; S518-K521 PolarHBondContact O-N 3.06Å; G519-K521 VanDerWaalsContact C-N 3.33Å; G519-K521 PolarHBondContact O-N 3.16Å; K521-I523 VanDerWaalsContact C-N 3.29Å; K521-I523 PolarHBondContact O-N 3.2Å; K521-V524 CarbonylContact O-C 3.54Å; K521-V524 PolarHBondContact O-N 3.49Å; K521-V524 VanDerWaalsContact O-N 3.16Å; K521-S525 WeakPolarHBondContact O-CB 3.46Å; K521-S525 PolarHBondContact O-N 2.9Å; K521-S525 PolarHBondContact O-OG 2.89Å
522	V	39	Very low	40.5	Very low	69 Å²	69	57.9 Å²	57.9	42%	0.418	29%	0.285	S	S	.	.	H	α-helix	trans	-57.9	-46.1	175.3	175.5	0	0	0	0	109.6	S518 G519 Y520 V524 S525 V526	S518-V522 PolarHBondContact O-N 3.13Å; G519-V522 PolarHBondContact O-N 3.23Å; Y520-V522 PolarHBondContact O-N 3.17Å; V522-V524 VanDerWaalsContact C-N 3.32Å; V522-V524 PolarHBondContact O-N 3.04Å; V522-S525 WeakPolarHBondContact CA-OG 3.4Å; V522-S525 PolarHBondContact O-N 2.94Å; V522-S525 PolarHBondContact O-OG 2.96Å; V522-V526 HydrophobicContact CG1-CG2 4.32Å; V522-V526 WeakPolarHBondContact O-CG2 3.5Å; V522-V526 PolarHBondContact O-N 3.06Å
523	I	39.2	Very low	39.9	Very low	50 Å²	50	59.4 Å²	59.4	26%	0.256	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-40.7	176.3	-64.4	164.3	0	0	0	111.9	G519 Y520 K521	G519-I523 VanDerWaalsContact O-CG1 3.31Å; G519-I523 WeakPolarHBondContact O-CG1 3.32Å; G519-I523 PolarHBondContact O-N 3.05Å; Y520-I523 CarbonylContact O-C 3.59Å; Y520-I523 WeakPolarHBondContact O-CB 3.47Å; Y520-I523 PolarHBondContact O-N 3.24Å; K521-I523 VanDerWaalsContact C-N 3.29Å; K521-I523 PolarHBondContact O-N 3.2Å
524	V	39.4	Very low	39.2	Very low	19 Å²	19	58 Å²	58	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-42.5	176.4	177.8	0	0	0	0	112.1	A484 Y520 K521 V522 V526 E527 W532	A484-V524 HydrophobicContact CB-CG1 3.81Å; Y520-V524 VanDerWaalsContact O-CG2 3.22Å; Y520-V524 WeakPolarHBondContact O-CG2 3.43Å; Y520-V524 PolarHBondContact O-N 2.77Å; K521-V524 CarbonylContact O-C 3.54Å; K521-V524 PolarHBondContact O-N 3.49Å; K521-V524 VanDerWaalsContact O-N 3.16Å; V522-V524 VanDerWaalsContact C-N 3.32Å; V522-V524 PolarHBondContact O-N 3.04Å; V524-V526 VanDerWaalsContact C-N 3.32Å; V524-V526 PolarHBondContact O-N 3.35Å; V524-E527 PolarHBondContact O-N 2.92Å; V524-W532 HydrophobicContact CG2-CZ2 3.65Å
525	S	34.6	Very low	38.2	Very low	62 Å²	62	58.7 Å²	58.7	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-80.8	-10	-174.5	45.9	0	0	0	0	114	K521 V522 E527	K521-S525 WeakPolarHBondContact O-CB 3.46Å; K521-S525 PolarHBondContact O-N 2.9Å; K521-S525 PolarHBondContact O-OG 2.89Å; V522-S525 WeakPolarHBondContact CA-OG 3.4Å; V522-S525 PolarHBondContact O-N 2.94Å; V522-S525 PolarHBondContact O-OG 2.96Å; S525-E527 PolarHBondContact O-N 3.33Å; S525-E527 VanDerWaalsContact O-N 3.11Å
526	V	33.1	Very low	37.6	Very low	57 Å²	57	56.4 Å²	56.4	35%	0.345	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-2.7	167.7	171.1	0	0	0	0	111.8	V522 V524 K528 L531	V522-V526 HydrophobicContact CG1-CG2 4.32Å; V522-V526 WeakPolarHBondContact O-CG2 3.5Å; V522-V526 PolarHBondContact O-N 3.06Å; V524-V526 VanDerWaalsContact C-N 3.32Å; V524-V526 PolarHBondContact O-N 3.35Å; V526-K528 HydrophobicContact CG1-CB 4.15Å; V526-K528 HydrophobicContact CG1-CD 3.89Å; V526-K528 HydrophobicContact CG1-CG 4.2Å; V526-K528 VanDerWaalsContact O-CG 3.3Å; V526-K528 WeakPolarHBondContact O-CG 3.4Å; V526-K528 PolarHBondContact O-N 3.44Å; V526-L531 HydrophobicContact CG1-CD1 4.08Å
527	E	33.6	Very low	36.9	Very low	182 Å²	182	52.3 Å²	52.3	85%	0.85	27%	0.273	S	S	*	.			trans	51.8	14.4	172.1	-72.2	-173.9	170.4	0	0	114.6	V524 S525	V524-E527 PolarHBondContact O-N 2.92Å; S525-E527 PolarHBondContact O-N 3.33Å; S525-E527 VanDerWaalsContact O-N 3.11Å
528	K	32.2	Very low	36	Very low	106 Å²	106	53 Å²	53	46%	0.461	28%	0.277	S	S	.	.			trans	-105.6	88.4	-176.6	-73.3	172.4	-170	178.3	0	109.2	V526 T530 L531	V526-K528 HydrophobicContact CG1-CB 4.15Å; V526-K528 HydrophobicContact CG1-CD 3.89Å; V526-K528 HydrophobicContact CG1-CG 4.2Å; V526-K528 VanDerWaalsContact O-CG 3.3Å; V526-K528 WeakPolarHBondContact O-CG 3.4Å; V526-K528 PolarHBondContact O-N 3.44Å; K528-T530 PolarHBondContact O-N 3.04Å; K528-L531 HydrophobicContact CB-CD1 4.33Å; K528-L531 WeakPolarHBondContact O-CB 3.4Å; K528-L531 PolarHBondContact O-N 3Å
529	Y	34.6	Very low	35.2	Very low	60 Å²	60	57.1 Å²	57.1	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-46.8	-27.2	175.3	-149.2	-90.3	0	0	0	114.6	V468 Y473 A476 W532 Q533	V468-Y529 HydrophobicContact CG2-CE1 3.75Å; V468-Y529 WeakPolarHBondContact CG2-OH 3.33Å; Y473-Y529 AromaticContact CD1-CE1 3.63Å; Y473-Y529 HydrophobicContact CD1-CE1 3.63Å; Y473-Y529 AromaticContact CD1-CZ 3.87Å; Y473-Y529 HydrophobicContact CE1-CE1 4.13Å; A476-Y529 HydrophobicContact CB-CE2 4.46Å; A476-Y529 WeakPolarHBondContact CB-OH 3.47Å; Y529-W532 WeakPolarHBondContact O-CB 3.46Å; Y529-W532 PolarHBondContact O-N 3.18Å; Y529-Q533 PolarHBondContact O-N 3.49Å; Y529-Q533 VanDerWaalsContact O-N 3.16Å
530	T	34.1	Very low	34.3	Very low	33 Å²	33	59.2 Å²	59.2	20%	0.202	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-32.9	176.2	41.4	0	0	0	0	114.1	K528 W532 Q533 S534 K560	K528-T530 PolarHBondContact O-N 3.04Å; T530-W532 PolarHBondContact O-N 3.08Å; T530-Q533 PolarHBondContact O-N 3.04Å; T530-S534 PolarHBondContact O-N 3.15Å; T530-S534 PolarHBondContact O-OG 2.95Å; T530-K560 HydrophobicContact CG2-CB 4.18Å; T530-K560 HydrophobicContact CG2-CD 4.13Å; T530-K560 HydrophobicContact CG2-CG 4.49Å; T530-K560 WeakPolarHBondContact OG1-CB 3.47Å; T530-K560 WeakPolarHBondContact OG1-CD 3.4Å; T530-K560 WeakPolarHBondContact OG1-CG 3.24Å
531	L	33.5	Very low	33.4	Very low	39 Å²	39	60 Å²	60	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-35.2	172.4	-101.7	146.6	0	0	0	110.9	V526 K528 S534 F535 I563	V526-L531 HydrophobicContact CG1-CD1 4.08Å; K528-L531 HydrophobicContact CB-CD1 4.33Å; K528-L531 WeakPolarHBondContact O-CB 3.4Å; K528-L531 PolarHBondContact O-N 3Å; L531-S534 PolarHBondContact O-N 3.02Å; L531-F535 WeakPolarHBondContact O-CB 3.17Å; L531-F535 PolarHBondContact O-N 3.31Å; L531-I563 HydrophobicContact CD2-CD1 3.43Å; L531-I563 VanDerWaalsContact CD2-CD1 3.43Å; L531-I563 HydrophobicContact CG-CD1 3.96Å
532	W	35.1	Very low	32.8	Very low	24 Å²	24	65.9 Å²	65.9	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-70	-41.5	175.3	-84.4	92	0	0	0	112.6	E461 L464 V524 Y529 T530 S534 F535 L536	E461-W532 HydrophobicContact CB-CZ3 4.44Å; E461-W532 HydrophobicContact CG-CZ3 4.19Å; L464-W532 HydrophobicContact CD1-CD2 4.45Å; L464-W532 HydrophobicContact CD1-CE3 3.9Å; L464-W532 HydrophobicContact CD1-CH2 3.89Å; L464-W532 HydrophobicContact CD1-CZ2 4.47Å; L464-W532 HydrophobicContact CD1-CZ3 3.58Å; V524-W532 HydrophobicContact CG2-CZ2 3.65Å; Y529-W532 WeakPolarHBondContact O-CB 3.46Å; Y529-W532 PolarHBondContact O-N 3.18Å; T530-W532 PolarHBondContact O-N 3.08Å; W532-S534 VanDerWaalsContact C-N 3.32Å; W532-S534 PolarHBondContact O-N 3.41Å; W532-F535 PolarHBondContact O-N 3.46Å; W532-L536 HydrophobicContact CE3-CD1 3.58Å; W532-L536 HydrophobicContact CE3-CD2 4.21Å; W532-L536 HydrophobicContact CE3-CG 3.79Å; W532-L536 HydrophobicContact CZ3-CD1 4.19Å; W532-L536 HydrophobicContact CZ3-CD2 4.19Å; W532-L536 HydrophobicContact CZ3-CG 4.27Å; W532-L536 WeakPolarHBondContact O-CB 3.35Å; W532-L536 VanDerWaalsContact O-CG 3.3Å; W532-L536 WeakPolarHBondContact O-CG 3.39Å; W532-L536 PolarHBondContact O-N 3.25Å
533	Q	33.2	Very low	32.3	Very low	86 Å²	86	65.9 Å²	65.9	40%	0.402	37%	0.37	S	S	.	.	H	α-helix	trans	-59.2	-44.2	172.6	-95.1	-178.2	-23.5	0	0	111.3	V468 Y529 T530 S537	V468-Q533 HydrophobicContact CG1-CG 3.69Å; Y529-Q533 PolarHBondContact O-N 3.49Å; Y529-Q533 VanDerWaalsContact O-N 3.16Å; T530-Q533 PolarHBondContact O-N 3.04Å; Q533-S537 WeakPolarHBondContact O-CB 3.45Å; Q533-S537 PolarHBondContact O-N 2.86Å; Q533-S537 PolarHBondContact O-OG 3.23Å
534	S	34.7	Very low	31.8	Very low	11 Å²	11	70.4 Å²	70.4	8%	0.077	39%	0.39	C	S	.	.	H	α-helix	trans	-65.4	-42.4	175.3	-54.5	0	0	0	0	111.9	T530 L531 W532 M538	T530-S534 PolarHBondContact O-N 3.15Å; T530-S534 PolarHBondContact O-OG 2.95Å; L531-S534 PolarHBondContact O-N 3.02Å; W532-S534 VanDerWaalsContact C-N 3.32Å; W532-S534 PolarHBondContact O-N 3.41Å; S534-M538 WeakPolarHBondContact O-CE 3.37Å; S534-M538 VanDerWaalsContact O-CG 3.25Å; S534-M538 WeakPolarHBondContact O-CG 3.31Å
535	F	31.6	Very low	31.6	Very low	38 Å²	38	75 Å²	75	17%	0.167	42%	0.42	C	S	.	.	H	α-helix	trans	-67.8	-41.6	-178.6	-152.8	-91.4	0	0	0	113.1	L531 W532 M538 I540	L531-F535 WeakPolarHBondContact O-CB 3.17Å; L531-F535 PolarHBondContact O-N 3.31Å; W532-F535 PolarHBondContact O-N 3.46Å; F535-M538 HydrophobicContact CB-CE 4.5Å; F535-M538 HydrophobicContact CD2-CE 4.23Å; F535-M538 HydrophobicContact CG-CE 4.46Å; F535-I540 HydrophobicContact CE1-CD1 4.03Å; F535-I540 HydrophobicContact CZ-CD1 4.24Å
536	L	31.7	Very low	32	Very low	15 Å²	15	76.9 Å²	76.9	8%	0.079	42%	0.424	C	S	.	.	H	α-helix	trans	-84.6	-33	-175.2	-69.6	175	0	0	0	114.1	E461 L464 K465 W532 M538	E461-L536 HydrophobicContact CB-CD2 4.29Å; E461-L536 HydrophobicContact CG-CD2 3.26Å; E461-L536 VanDerWaalsContact O-CD2 3.27Å; E461-L536 WeakPolarHBondContact O-CD2 3.16Å; L464-L536 HydrophobicContact CB-CD1 3.77Å; K465-L536 HydrophobicContact CB-CB 4.18Å; K465-L536 HydrophobicContact CB-CD1 4.17Å; K465-L536 HydrophobicContact CB-CD2 4.45Å; K465-L536 HydrophobicContact CD-CB 4.39Å; K465-L536 VanDerWaalsContact CD-O 3.26Å; K465-L536 WeakPolarHBondContact CD-O 3.42Å; K465-L536 WeakPolarHBondContact CE-O 3.14Å; K465-L536 HydrophobicContact CG-CB 4.25Å; K465-L536 PolarHBondContact NZ-O 3.45Å; W532-L536 HydrophobicContact CE3-CD1 3.58Å; W532-L536 HydrophobicContact CE3-CD2 4.21Å; W532-L536 HydrophobicContact CE3-CG 3.79Å; W532-L536 HydrophobicContact CZ3-CD1 4.19Å; W532-L536 HydrophobicContact CZ3-CD2 4.19Å; W532-L536 HydrophobicContact CZ3-CG 4.27Å; W532-L536 WeakPolarHBondContact O-CB 3.35Å; W532-L536 VanDerWaalsContact O-CG 3.3Å; W532-L536 WeakPolarHBondContact O-CG 3.39Å; W532-L536 PolarHBondContact O-N 3.25Å; L536-M538 PolarHBondContact O-N 2.91Å
537	S	30.4	Very low	33.2	Very low	66 Å²	66	75.9 Å²	75.9	46%	0.462	42%	0.417	S	S	.	.	H	α-helix	trans	-70.7	-16.4	176.9	61.4	0	0	0	0	112.3	Q533 P539	Q533-S537 WeakPolarHBondContact O-CB 3.45Å; Q533-S537 PolarHBondContact O-N 2.86Å; Q533-S537 PolarHBondContact O-OG 3.23Å; S537-P539 WeakPolarHBondContact O-CD 3.33Å
538	M	29.2	Very low	34.4	Very low	20 Å²	20	69.4 Å²	69.4	10%	0.099	39%	0.387	C	S	.	.	S	Bend	trans	-68.8	123.2	172.9	-76.8	-173.2	-75	0	0	110.9	S534 F535 L536 I540 M567	S534-M538 WeakPolarHBondContact O-CE 3.37Å; S534-M538 VanDerWaalsContact O-CG 3.25Å; S534-M538 WeakPolarHBondContact O-CG 3.31Å; F535-M538 HydrophobicContact CB-CE 4.5Å; F535-M538 HydrophobicContact CD2-CE 4.23Å; F535-M538 HydrophobicContact CG-CE 4.46Å; L536-M538 PolarHBondContact O-N 2.91Å; M538-I540 HydrophobicContact CB-CG1 4.15Å; M538-I540 PolarHBondContact O-N 3.21Å; M538-M567 HydrophobicContact CE-CB 4.2Å; M538-M567 HydrophobicContact CE-CE 3.94Å; M538-M567 HydrophobicContact CE-CG 3.95Å; M538-M567 HydrophobicContact SD-CB 3.12Å; M538-M567 WeakPolarHBondContact SD-CB 3.47Å; M538-M567 HydrophobicContact SD-CE 3.95Å; M538-M567 HydrophobicContact SD-CG 3.55Å; M538-M567 VanDerWaalsContact SD-CG 3.55Å
539	P	27.7	Very low	35.7	Very low	107 Å²	107	64.8 Å²	64.8	70%	0.695	37%	0.367	S	S	*	.			trans	-69.3	85	158.2	30.2	-27.6	0	0	0	105.6	S537 P541	S537-P539 WeakPolarHBondContact O-CD 3.33Å; P539-P541 VanDerWaalsContact C-N 3.33Å; P539-P541 WeakPolarHBondContact O-CD 3.4Å; P539-P541 VanDerWaalsContact O-N 3.12Å
540	I	26.5	Very low	37	Very low	65 Å²	65	64.7 Å²	64.7	33%	0.333	37%	0.366	S	S	.	.			trans	-67.8	103.4	158.2	-56.3	176	0	0	0	102.6	F535 M538 L542	F535-I540 HydrophobicContact CE1-CD1 4.03Å; F535-I540 HydrophobicContact CZ-CD1 4.24Å; M538-I540 HydrophobicContact CB-CG1 4.15Å; M538-I540 PolarHBondContact O-N 3.21Å; I540-L542 PolarHBondContact O-N 2.99Å
541	P	27.3	Very low	38.2	Very low	88 Å²	88	66.1 Å²	66.1	57%	0.571	37%	0.372	S	S	*	.			trans	-62.4	117.3	172	-2.6	21.3	0	0	0	102.9	P539 G543 E544	P539-P541 VanDerWaalsContact C-N 3.33Å; P539-P541 WeakPolarHBondContact O-CD 3.4Å; P539-P541 VanDerWaalsContact O-N 3.12Å; P541-G543 PolarHBondContact O-N 3.42Å; P541-E544 PolarHBondContact O-N 2.84Å; P541-E544 VanDerWaalsContact O-N 3.13Å
542	L	28.6	Very low	39.4	Very low	186 Å²	186	64.4 Å²	64.4	97%	0.974	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	16.3	-176.5	-82.4	157.1	0	0	0	114.4	I540	I540-L542 PolarHBondContact O-N 2.99Å
543	G	28	Very low	40.7	Very low	70 Å²	70	63.5 Å²	63.5	72%	0.722	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	-14.7	175.3	0	0	0	0	0	116.3	P541	P541-G543 PolarHBondContact O-N 3.42Å
544	E	27.9	Very low	41.8	Very low	145 Å²	145	61.2 Å²	61.2	68%	0.678	35%	0.351	S	S	*	.	S	Bend	trans	-98.9	120.9	175.3	-72.9	-161.9	175.1	0	0	111.2	P541 I546	P541-E544 PolarHBondContact O-N 2.84Å; P541-E544 VanDerWaalsContact O-N 3.13Å; E544-I546 PolarHBondContact O-N 3.22Å
545	P	35.9	Very low	42.9	Very low	115 Å²	115	63 Å²	63	75%	0.747	36%	0.36	S	S	*	.			trans	-60.1	138.3	179.7	24.4	-31.8	0	0	0	109.6	D547	P545-D547 PolarHBondContact O-N 2.9Å
546	I	44.2	Very low	44.2	Very low	101 Å²	101	61.6 Å²	61.6	52%	0.518	35%	0.354	S	S	.	.			trans	-51.5	105.7	167	-62.8	172	0	0	0	106.7	E544 R550 L551	E544-I546 PolarHBondContact O-N 3.22Å; I546-R550 HydrophobicContact CG2-CB 4.44Å; I546-L551 HydrophobicContact CG2-CB 4.21Å
547	D	56.3	Low	45.4	Very low	36 Å²	36	64.6 Å²	64.6	19%	0.193	36%	0.364	C	S	.	.			trans	-70.4	157.1	177.2	72.9	68.1	0	0	0	109.9	P545 W549 R550 L551 L571	P545-D547 PolarHBondContact O-N 2.9Å; D547-W549 PolarHBondContact O-N 3.04Å; D547-W549 VanDerWaalsContact O-N 3.1Å; D547-W549 WeakPolarHBondContact OD1-CA 3.44Å; D547-W549 VanDerWaalsContact OD1-CB 3.27Å; D547-W549 WeakPolarHBondContact OD1-CB 3.41Å; D547-W549 PolarHBondContact OD1-N 2.69Å; D547-R550 PolarHBondContact O-N 3.27Å; D547-R550 PolarHBondContact OD1-N 3.22Å; D547-R550 VanDerWaalsContact OD1-N 3.11Å; D547-R550 WeakPolarHBondContact OD2-CD 3.12Å; D547-R550 IonicContact OD2-CZ 3.51Å; D547-R550 IonicContact OD2-NE 3.75Å; D547-R550 IonicContact OD2-NH1 2.83Å; D547-R550 PolarHBondContact OD2-NH1 3.3Å; D547-L551 PolarHBondContact O-N 2.71Å; D547-L571 WeakPolarHBondContact OD2-CD1 3.44Å
548	E	59.1	Low	46.1	Very low	47 Å²	47	67 Å²	67	22%	0.22	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-27.5	-173	-51.5	173.1	160.4	0	0	113.3	L552 L609 K610 N611 T614	E548-L552 VanDerWaalsContact O-CG 3.31Å; E548-L552 WeakPolarHBondContact O-CG 3.35Å; E548-L552 PolarHBondContact O-N 2.87Å; E548-L552 VanDerWaalsContact O-N 3.11Å; E548-L609 HydrophobicContact CB-CD2 3.66Å; E548-L609 VanDerWaalsContact CD-CD2 3.46Å; E548-L609 HydrophobicContact CG-CD2 3.5Å; E548-L609 WeakPolarHBondContact OE1-CA 3.36Å; E548-K610 PolarHBondContact OE1-N 2.88Å; E548-N611 VanDerWaalsContact OE2-CB 3.23Å; E548-N611 WeakPolarHBondContact OE2-CB 3.41Å; E548-T614 HydrophobicContact CB-CG2 3.69Å; E548-T614 WeakPolarHBondContact OE2-CB 3.47Å; E548-T614 WeakPolarHBondContact OE2-CG2 2.99Å; E548-T614 PolarHBondContact OE2-OG1 2.95Å
549	W	59.7	Low	46.7	Very low	8 Å²	8	67.9 Å²	67.9	3%	0.03	38%	0.383	C	S	.	.	H	α-helix	trans	-76.1	-39.1	-177.4	-64.6	88.7	0	0	0	112.3	D547 L551 L552 Y553 L571 L574 K575 V578 R579 D613 T614 I617	D547-W549 PolarHBondContact O-N 3.04Å; D547-W549 VanDerWaalsContact O-N 3.1Å; D547-W549 WeakPolarHBondContact OD1-CA 3.44Å; D547-W549 VanDerWaalsContact OD1-CB 3.27Å; D547-W549 WeakPolarHBondContact OD1-CB 3.41Å; D547-W549 PolarHBondContact OD1-N 2.69Å; W549-L551 VanDerWaalsContact C-N 3.32Å; W549-L552 PolarHBondContact O-N 3.26Å; W549-Y553 PolarHBondContact O-N 2.85Å; W549-L571 HydrophobicContact CB-CD1 4.45Å; W549-L574 HydrophobicContact CB-CD2 4.12Å; W549-K575 HydrophobicContact CD2-CB 4.42Å; W549-K575 HydrophobicContact CD2-CD 4.3Å; W549-K575 HydrophobicContact CD2-CG 3.54Å; W549-K575 HydrophobicContact CE3-CB 4.26Å; W549-K575 HydrophobicContact CE3-CG 3.86Å; W549-K575 HydrophobicContact CG-CG 3.85Å; W549-K575 HydrophobicContact CH2-CG 4.27Å; W549-K575 HydrophobicContact CZ2-CD 4.1Å; W549-K575 HydrophobicContact CZ2-CG 4.06Å; W549-K575 HydrophobicContact CZ3-CB 4.3Å; W549-K575 HydrophobicContact CZ3-CG 4.21Å; W549-V578 HydrophobicContact CE3-CB 4.19Å; W549-V578 HydrophobicContact CE3-CG1 4.1Å; W549-V578 HydrophobicContact CZ3-CG1 4.36Å; W549-R579 HydrophobicContact CZ3-CG 4.37Å; W549-D613 HydrophobicContact CH2-CB 4.4Å; W549-D613 HydrophobicContact CZ2-CB 4.21Å; W549-T614 WeakPolarHBondContact CZ2-OG1 3.47Å; W549-T614 PolarHBondContact NE1-OG1 3.27Å; W549-I617 HydrophobicContact CH2-CD1 3.34Å; W549-I617 HydrophobicContact CZ3-CD1 3.59Å
550	R	61.3	Low	47.3	Very low	58 Å²	58	67.6 Å²	67.6	22%	0.219	37%	0.37	C	S	.	.	H	α-helix	trans	-63.1	-41.7	174.3	-73.3	-179	168.5	115.7	-9.9	111.1	I546 D547 Y553 V554 M567 L574	I546-R550 HydrophobicContact CG2-CB 4.44Å; D547-R550 PolarHBondContact O-N 3.27Å; D547-R550 PolarHBondContact OD1-N 3.22Å; D547-R550 VanDerWaalsContact OD1-N 3.11Å; D547-R550 WeakPolarHBondContact OD2-CD 3.12Å; D547-R550 IonicContact OD2-CZ 3.51Å; D547-R550 IonicContact OD2-NE 3.75Å; D547-R550 IonicContact OD2-NH1 2.83Å; D547-R550 PolarHBondContact OD2-NH1 3.3Å; R550-Y553 PolarHBondContact O-N 2.88Å; R550-V554 WeakPolarHBondContact O-CG2 3.4Å; R550-V554 PolarHBondContact O-N 3.28Å; R550-M567 HydrophobicContact CB-CE 3.97Å; R550-M567 HydrophobicContact CB-SD 3.85Å; R550-M567 HydrophobicContact CG-CE 4.18Å; R550-M567 HydrophobicContact CG-SD 3.84Å; R550-M567 PolarHBondContact NH2-O 2.79Å; R550-L574 HydrophobicContact CB-CD2 4.29Å; R550-L574 HydrophobicContact CG-CD2 3.33Å
551	L	59.7	Low	48.1	Very low	63 Å²	63	70.9 Å²	70.9	33%	0.33	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-45.7	175.4	-170.8	67	0	0	0	111.9	I546 D547 W549 Y553 V554 L555 I605	I546-L551 HydrophobicContact CG2-CB 4.21Å; D547-L551 PolarHBondContact O-N 2.71Å; W549-L551 VanDerWaalsContact C-N 3.32Å; L551-Y553 PolarHBondContact O-N 3.47Å; L551-V554 PolarHBondContact O-N 3.12Å; L551-L555 HydrophobicContact CG-CD1 4.06Å; L551-L555 VanDerWaalsContact O-CG 3.3Å; L551-L555 WeakPolarHBondContact O-CG 3.4Å; L551-L555 PolarHBondContact O-N 3.41Å; L551-I605 HydrophobicContact CD2-CD1 3.89Å; L551-I605 HydrophobicContact CD2-CG1 4.3Å; L551-I605 HydrophobicContact CD2-CG2 3.83Å; L551-I605 HydrophobicContact CG-CD1 4.5Å
552	L	59.6	Low	49	Very low	4 Å²	4	71.1 Å²	71.1	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-62.1	-41	176.7	-72.2	173.7	0	0	0	112.8	E548 W549 V554 L555 F556 V578 T614 T618	E548-L552 VanDerWaalsContact O-CG 3.31Å; E548-L552 WeakPolarHBondContact O-CG 3.35Å; E548-L552 PolarHBondContact O-N 2.87Å; E548-L552 VanDerWaalsContact O-N 3.11Å; W549-L552 PolarHBondContact O-N 3.26Å; L552-V554 VanDerWaalsContact C-N 3.31Å; L552-V554 PolarHBondContact O-N 3.13Å; L552-L555 PolarHBondContact O-N 2.7Å; L552-F556 HydrophobicContact CB-CD2 4.39Å; L552-F556 HydrophobicContact CD2-CD2 4.2Å; L552-F556 HydrophobicContact CD2-CE2 3.64Å; L552-F556 VanDerWaalsContact O-CD2 3.27Å; L552-F556 WeakPolarHBondContact O-CD2 3.18Å; L552-F556 PolarHBondContact O-N 2.68Å; L552-V578 HydrophobicContact CB-CG1 4.18Å; L552-T614 HydrophobicContact CD1-CG2 3.38Å; L552-T614 HydrophobicContact CG-CG2 4.37Å; L552-T618 WeakPolarHBondContact CD1-OG1 3.11Å; L552-T618 HydrophobicContact CD2-CG2 3.71Å; L552-T618 WeakPolarHBondContact CD2-OG1 3.34Å
553	Y	61.4	Low	49.8	Very low	4 Å²	4	62.7 Å²	62.7	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-57.3	-48	178.2	-177.2	-99.3	0	0	0	111.2	W549 R550 L551 L555 F556 R557 I563 V566 L574 L577 V578	W549-Y553 PolarHBondContact O-N 2.85Å; R550-Y553 PolarHBondContact O-N 2.88Å; L551-Y553 PolarHBondContact O-N 3.47Å; Y553-L555 VanDerWaalsContact C-N 3.33Å; Y553-L555 PolarHBondContact O-N 3.03Å; Y553-F556 PolarHBondContact O-N 3.29Å; Y553-R557 HydrophobicContact CD2-CG 4.2Å; Y553-R557 HydrophobicContact CE1-CG 4.43Å; Y553-R557 HydrophobicContact CE2-CB 4.45Å; Y553-R557 HydrophobicContact CE2-CG 3.57Å; Y553-R557 PolarHBondContact O-N 2.6Å; Y553-R557 VanDerWaalsContact O-N 3.14Å; Y553-I563 HydrophobicContact CE1-CB 4.49Å; Y553-I563 HydrophobicContact CE1-CG1 4.15Å; Y553-V566 HydrophobicContact CD1-CB 4.48Å; Y553-V566 HydrophobicContact CD1-CG1 3.84Å; Y553-V566 HydrophobicContact CD2-CG1 3.87Å; Y553-V566 HydrophobicContact CE1-CB 3.8Å; Y553-V566 HydrophobicContact CE1-CG1 3.56Å; Y553-V566 HydrophobicContact CE1-CG2 4.39Å; Y553-V566 HydrophobicContact CE2-CB 4.32Å; Y553-V566 HydrophobicContact CE2-CG1 3.59Å; Y553-V566 HydrophobicContact CE2-CG2 4.35Å; Y553-V566 HydrophobicContact CG-CG1 4Å; Y553-V566 VanDerWaalsContact CZ-CG1 3.43Å; Y553-V566 WeakPolarHBondContact OH-CG2 3.39Å; Y553-L574 HydrophobicContact CD2-CD1 4.17Å; Y553-L574 HydrophobicContact CG-CD1 4.06Å; Y553-L577 HydrophobicContact CD2-CD2 4.22Å; Y553-L577 HydrophobicContact CE2-CD2 3.52Å; Y553-L577 HydrophobicContact CE2-CG 4.27Å; Y553-V578 HydrophobicContact CD2-CG2 3.86Å; Y553-V578 HydrophobicContact CG-CG2 4.23Å
554	V	58	Low	50.7	Low	38 Å²	38	60.3 Å²	60.3	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-40.3	177.9	174.6	0	0	0	0	111.7	R550 L551 L552	R550-V554 WeakPolarHBondContact O-CG2 3.4Å; R550-V554 PolarHBondContact O-N 3.28Å; L551-V554 PolarHBondContact O-N 3.12Å; L552-V554 VanDerWaalsContact C-N 3.31Å; L552-V554 PolarHBondContact O-N 3.13Å
555	L	57.6	Low	51.8	Low	48 Å²	48	58.5 Å²	58.5	25%	0.251	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-32.4	-178.1	-72.6	166.7	0	0	0	113.6	L551 L552 Y553 V602 I605	L551-L555 HydrophobicContact CG-CD1 4.06Å; L551-L555 VanDerWaalsContact O-CG 3.3Å; L551-L555 WeakPolarHBondContact O-CG 3.4Å; L551-L555 PolarHBondContact O-N 3.41Å; L552-L555 PolarHBondContact O-N 2.7Å; Y553-L555 VanDerWaalsContact C-N 3.33Å; Y553-L555 PolarHBondContact O-N 3.03Å; L555-V602 HydrophobicContact CD1-CG2 4.27Å; L555-V602 HydrophobicContact CD2-CG2 4.45Å; L555-I605 HydrophobicContact CD1-CD1 3.88Å
556	F	58.7	Low	52.5	Low	9 Å²	9	53.2 Å²	53.2	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-103.7	-18.9	-171.2	-71.4	-68.1	0	0	0	115.1	L552 Y553 Y587 F598 V602 T618 A621 L622	L552-F556 HydrophobicContact CB-CD2 4.39Å; L552-F556 HydrophobicContact CD2-CD2 4.2Å; L552-F556 HydrophobicContact CD2-CE2 3.64Å; L552-F556 VanDerWaalsContact O-CD2 3.27Å; L552-F556 WeakPolarHBondContact O-CD2 3.18Å; L552-F556 PolarHBondContact O-N 2.68Å; Y553-F556 PolarHBondContact O-N 3.29Å; F556-Y587 HydrophobicContact CB-CE2 4.04Å; F556-Y587 HydrophobicContact CD1-CD2 4.32Å; F556-Y587 AromaticContact CD1-CE2 3.92Å; F556-Y587 HydrophobicContact CD1-CE2 3.92Å; F556-Y587 HydrophobicContact CG-CE2 4.41Å; F556-Y587 WeakPolarHBondContact O-CD1 3.17Å; F556-Y587 WeakPolarHBondContact O-CE1 3.5Å; F556-Y587 WeakPolarHBondContact O-CE2 3.21Å; F556-Y587 PolarHBondContact O-OH 2.64Å; F556-F598 HydrophobicContact CD1-CZ 4.16Å; F556-F598 HydrophobicContact CE1-CE1 4.39Å; F556-F598 AromaticContact CE1-CZ 3.7Å; F556-F598 HydrophobicContact CE1-CZ 3.7Å; F556-F598 HydrophobicContact CZ-CZ 4.31Å; F556-V602 HydrophobicContact CZ-CG1 4.3Å; F556-T618 HydrophobicContact CE2-CG2 4.45Å; F556-A621 HydrophobicContact CD1-CB 4.11Å; F556-A621 HydrophobicContact CD2-CB 4.38Å; F556-A621 HydrophobicContact CE1-CB 3.56Å; F556-A621 HydrophobicContact CE2-CB 3.89Å; F556-A621 HydrophobicContact CZ-CB 3.44Å; F556-A621 VanDerWaalsContact CZ-CB 3.44Å; F556-L622 HydrophobicContact CZ-CD2 4.42Å
557	R	56	Low	52.8	Low	78 Å²	78	49.4 Å²	49.4	29%	0.294	25%	0.252	S	S	.	.			trans	-84.5	142	-176.3	-102.1	-77.6	-166.1	137.7	10.9	114.6	Y553 E562 T581	Y553-R557 HydrophobicContact CD2-CG 4.2Å; Y553-R557 HydrophobicContact CE1-CG 4.43Å; Y553-R557 HydrophobicContact CE2-CB 4.45Å; Y553-R557 HydrophobicContact CE2-CG 3.57Å; Y553-R557 PolarHBondContact O-N 2.6Å; Y553-R557 VanDerWaalsContact O-N 3.14Å; R557-E562 IonicContact CZ-OE2 3.55Å; R557-E562 IonicContact NH1-OE2 3.1Å; R557-E562 PolarHBondContact NH1-OE2 2.7Å; R557-E562 IonicContact NH2-OE2 3.71Å; R557-E562 PolarHBondContact NH2-OE2 3Å; R557-T581 HydrophobicContact CG-CG2 3.83Å
558	Q	44.8	Very low	52.8	Low	116 Å²	116	54.5 Å²	54.5	54%	0.542	28%	0.275	S	S	.	.			trans	-99.8	108.7	160.6	-70.1	-174.5	9.9	0	0	108.9	Y587	Q558-Y587 HydrophobicContact CG-CD1 4.49Å
559	G	42	Very low	52.7	Low	40 Å²	40	55 Å²	55	41%	0.412	28%	0.278	S	S	.	.			trans	161.7	131.9	172.2	0	0	0	0	0	113.7	I563	G559-I563 WeakPolarHBondContact O-CD1 3.48Å
560	K	40.1	Very low	53	Low	101 Å²	101	58.3 Å²	58.3	44%	0.439	30%	0.3	S	S	.	.	S	Bend	trans	-82.6	-28.1	-170.1	-66.7	179.5	165	178.9	0	113.8	T530	T530-K560 HydrophobicContact CG2-CB 4.18Å; T530-K560 HydrophobicContact CG2-CD 4.13Å; T530-K560 HydrophobicContact CG2-CG 4.49Å; T530-K560 WeakPolarHBondContact OG1-CB 3.47Å; T530-K560 WeakPolarHBondContact OG1-CD 3.4Å; T530-K560 WeakPolarHBondContact OG1-CG 3.24Å
561	D	43	Very low	53	Low	134 Å²	134	58.3 Å²	58.3	72%	0.717	31%	0.305	S	S	*	.	S	Bend	trans	-106.5	-18.1	-161.1	-50.8	-40	0	0	0	113.5
562	E	46.7	Very low	53.3	Low	93 Å²	93	60.2 Å²	60.2	44%	0.435	32%	0.32	S	S	.	.	S	Bend	trans	-96.5	-11.2	-174.8	-66.3	178.7	-176.4	0	0	114.2	R557 A564 D565 V566	R557-E562 IonicContact CZ-OE2 3.55Å; R557-E562 IonicContact NH1-OE2 3.1Å; R557-E562 PolarHBondContact NH1-OE2 2.7Å; R557-E562 IonicContact NH2-OE2 3.71Å; R557-E562 PolarHBondContact NH2-OE2 3Å; E562-A564 PolarHBondContact O-N 2.83Å; E562-D565 PolarHBondContact O-N 2.77Å; E562-V566 HydrophobicContact CB-CG2 4.48Å; E562-V566 WeakPolarHBondContact O-CB 3.17Å; E562-V566 WeakPolarHBondContact O-CG2 3.37Å; E562-V566 PolarHBondContact O-N 3.49Å
563	I	45	Very low	53.7	Low	9 Å²	9	68.7 Å²	68.7	5%	0.046	35%	0.352	C	S	.	.	H	α-helix	trans	-65.8	-40.5	-171.8	-61.3	177.5	0	0	0	111.3	L531 Y553 G559 V566 M567	L531-I563 HydrophobicContact CD2-CD1 3.43Å; L531-I563 VanDerWaalsContact CD2-CD1 3.43Å; L531-I563 HydrophobicContact CG-CD1 3.96Å; Y553-I563 HydrophobicContact CE1-CB 4.49Å; Y553-I563 HydrophobicContact CE1-CG1 4.15Å; G559-I563 WeakPolarHBondContact O-CD1 3.48Å; I563-V566 PolarHBondContact O-N 3.46Å; I563-M567 HydrophobicContact CG2-CG 4.02Å; I563-M567 WeakPolarHBondContact O-CB 3.22Å; I563-M567 WeakPolarHBondContact O-CG 3.34Å; I563-M567 PolarHBondContact O-N 3.16Å
564	A	47.3	Very low	53.9	Low	20 Å²	20	68.5 Å²	68.5	17%	0.165	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-48.7	179.5	0	0	0	0	0	111.6	E562 V566 M567 Q568	E562-A564 PolarHBondContact O-N 2.83Å; A564-V566 VanDerWaalsContact C-N 3.32Å; A564-V566 PolarHBondContact O-N 3.19Å; A564-M567 PolarHBondContact O-N 3.47Å; A564-Q568 WeakPolarHBondContact O-CG 3.41Å; A564-Q568 PolarHBondContact O-N 3.3Å
565	D	50.8	Low	54.3	Low	107 Å²	107	69.4 Å²	69.4	57%	0.572	35%	0.352	S	S	*	.	H	α-helix	trans	-63.3	-39.9	179	-69.7	-14.6	0	0	0	111.8	E562 Q568 M569	E562-D565 PolarHBondContact O-N 2.77Å; D565-Q568 PolarHBondContact O-N 3.3Å; D565-M569 PolarHBondContact O-N 2.82Å
566	V	51.6	Low	54.8	Low	4 Å²	4	68.7 Å²	68.7	2%	0.024	36%	0.356	C	S	.	.	H	α-helix	trans	-71.9	-36	-178.8	171.6	0	0	0	0	112.3	Y553 E562 I563 A564 Q568 M569 L574 L577	Y553-V566 HydrophobicContact CD1-CB 4.48Å; Y553-V566 HydrophobicContact CD1-CG1 3.84Å; Y553-V566 HydrophobicContact CD2-CG1 3.87Å; Y553-V566 HydrophobicContact CE1-CB 3.8Å; Y553-V566 HydrophobicContact CE1-CG1 3.56Å; Y553-V566 HydrophobicContact CE1-CG2 4.39Å; Y553-V566 HydrophobicContact CE2-CB 4.32Å; Y553-V566 HydrophobicContact CE2-CG1 3.59Å; Y553-V566 HydrophobicContact CE2-CG2 4.35Å; Y553-V566 HydrophobicContact CG-CG1 4Å; Y553-V566 VanDerWaalsContact CZ-CG1 3.43Å; Y553-V566 WeakPolarHBondContact OH-CG2 3.39Å; E562-V566 HydrophobicContact CB-CG2 4.48Å; E562-V566 WeakPolarHBondContact O-CB 3.17Å; E562-V566 WeakPolarHBondContact O-CG2 3.37Å; E562-V566 PolarHBondContact O-N 3.49Å; I563-V566 PolarHBondContact O-N 3.46Å; A564-V566 VanDerWaalsContact C-N 3.32Å; A564-V566 PolarHBondContact O-N 3.19Å; V566-Q568 PolarHBondContact O-N 3.27Å; V566-M569 HydrophobicContact CB-CE 4.4Å; V566-M569 HydrophobicContact CB-SD 4.4Å; V566-M569 HydrophobicContact CG1-SD 4.31Å; V566-M569 HydrophobicContact CG2-CE 3.62Å; V566-M569 HydrophobicContact CG2-SD 4.1Å; V566-M569 WeakPolarHBondContact O-CB 3.36Å; V566-M569 PolarHBondContact O-N 3.49Å; V566-L574 HydrophobicContact CG1-CD1 3.29Å; V566-L577 HydrophobicContact CB-CD2 4.15Å; V566-L577 HydrophobicContact CG1-CD2 3.51Å; V566-L577 HydrophobicContact CG2-CD2 3.46Å; V566-L577 VanDerWaalsContact CG2-CD2 3.46Å
567	M	50.4	Low	55.1	Low	21 Å²	21	70.2 Å²	70.2	10%	0.103	37%	0.365	C	S	.	.	H	α-helix	trans	-70.2	-24.5	177.7	-70.6	-71.3	-78.6	0	0	112.5	M538 R550 I563 A564 M569	M538-M567 HydrophobicContact CE-CB 4.2Å; M538-M567 HydrophobicContact CE-CE 3.94Å; M538-M567 HydrophobicContact CE-CG 3.95Å; M538-M567 HydrophobicContact SD-CB 3.12Å; M538-M567 WeakPolarHBondContact SD-CB 3.47Å; M538-M567 HydrophobicContact SD-CE 3.95Å; M538-M567 HydrophobicContact SD-CG 3.55Å; M538-M567 VanDerWaalsContact SD-CG 3.55Å; R550-M567 HydrophobicContact CB-CE 3.97Å; R550-M567 HydrophobicContact CB-SD 3.85Å; R550-M567 HydrophobicContact CG-CE 4.18Å; R550-M567 HydrophobicContact CG-SD 3.84Å; R550-M567 PolarHBondContact NH2-O 2.79Å; I563-M567 HydrophobicContact CG2-CG 4.02Å; I563-M567 WeakPolarHBondContact O-CB 3.22Å; I563-M567 WeakPolarHBondContact O-CG 3.34Å; I563-M567 PolarHBondContact O-N 3.16Å; A564-M567 PolarHBondContact O-N 3.47Å; M567-M569 VanDerWaalsContact C-N 3.31Å
568	Q	56.3	Low	55.5	Low	142 Å²	142	66.6 Å²	66.6	66%	0.664	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.7	168.1	-65.3	-179.1	26.4	0	0	113.2	A564 D565 V566	A564-Q568 WeakPolarHBondContact O-CG 3.41Å; A564-Q568 PolarHBondContact O-N 3.3Å; D565-Q568 PolarHBondContact O-N 3.3Å; V566-Q568 PolarHBondContact O-N 3.27Å
569	M	57.5	Low	56.4	Low	57 Å²	57	65.6 Å²	65.6	28%	0.281	34%	0.342	S	S	.	.	S	Bend	trans	-63.5	139.2	179.7	-73	-178.4	-172	0	0	110.9	D565 V566 M567 L571 R573 L577	D565-M569 PolarHBondContact O-N 2.82Å; V566-M569 HydrophobicContact CB-CE 4.4Å; V566-M569 HydrophobicContact CB-SD 4.4Å; V566-M569 HydrophobicContact CG1-SD 4.31Å; V566-M569 HydrophobicContact CG2-CE 3.62Å; V566-M569 HydrophobicContact CG2-SD 4.1Å; V566-M569 WeakPolarHBondContact O-CB 3.36Å; V566-M569 PolarHBondContact O-N 3.49Å; M567-M569 VanDerWaalsContact C-N 3.31Å; M569-L571 PolarHBondContact O-N 2.74Å; M569-R573 HydrophobicContact CB-CB 4.26Å; M569-R573 HydrophobicContact SD-CB 4.45Å; M569-L577 HydrophobicContact SD-CD2 4.23Å
570	P	64.4	Low	57.5	Low	78 Å²	78	69.1 Å²	69.1	51%	0.506	35%	0.348	S	S	.	.			trans	-51	135.4	167.7	-25.1	32.8	0	0	0	110.1	P572 R573 L574	P570-P572 WeakPolarHBondContact O-CD 3.46Å; P570-R573 WeakPolarHBondContact O-CA 3.16Å; P570-R573 WeakPolarHBondContact O-CB 3.37Å; P570-R573 PolarHBondContact O-N 3Å; P570-L574 PolarHBondContact O-N 3.31Å; P570-L574 VanDerWaalsContact O-N 3.12Å
571	L	61.9	Low	58.5	Low	59 Å²	59	65.2 Å²	65.2	31%	0.309	33%	0.333	S	S	.	.	H	α-helix	trans	-45.9	-40.6	-176.2	-165.9	76.3	0	0	0	113.9	D547 W549 M569 R573 L574 K575	D547-L571 WeakPolarHBondContact OD2-CD1 3.44Å; W549-L571 HydrophobicContact CB-CD1 4.45Å; M569-L571 PolarHBondContact O-N 2.74Å; L571-R573 VanDerWaalsContact C-N 3.34Å; L571-R573 PolarHBondContact O-N 3.39Å; L571-L574 HydrophobicContact CD1-CD2 4.44Å; L571-L574 PolarHBondContact O-N 3.06Å; L571-K575 WeakPolarHBondContact O-CB 3.49Å; L571-K575 VanDerWaalsContact O-CG 3.25Å; L571-K575 WeakPolarHBondContact O-CG 3.22Å; L571-K575 PolarHBondContact O-N 3.16Å
572	P	67.2	Low	59.3	Low	102 Å²	102	59 Å²	59	66%	0.662	30%	0.3	S	S	*	.	H	α-helix	trans	-60.2	-37.8	175.8	-23.8	35.1	0	0	0	114.3	P570 G576	P570-P572 WeakPolarHBondContact O-CD 3.46Å; P572-G576 PolarHBondContact O-N 3.39Å
573	R	66.7	Low	60	Low	182 Å²	182	61.4 Å²	61.4	69%	0.687	31%	0.305	S	S	*	.	H	α-helix	trans	-72.4	-43	176.7	-74.1	-172.3	173.4	-176	-1.6	111.3	M569 P570 L571 K575 G576 L577	M569-R573 HydrophobicContact CB-CB 4.26Å; M569-R573 HydrophobicContact SD-CB 4.45Å; P570-R573 WeakPolarHBondContact O-CA 3.16Å; P570-R573 WeakPolarHBondContact O-CB 3.37Å; P570-R573 PolarHBondContact O-N 3Å; L571-R573 VanDerWaalsContact C-N 3.34Å; L571-R573 PolarHBondContact O-N 3.39Å; R573-K575 VanDerWaalsContact C-N 3.32Å; R573-K575 PolarHBondContact O-N 3.45Å; R573-G576 WeakPolarHBondContact O-CA 3.43Å; R573-G576 PolarHBondContact O-N 3.48Å; R573-G576 VanDerWaalsContact O-N 3.1Å; R573-L577 PolarHBondContact O-N 3.31Å
574	L	65.8	Low	60.5	Low	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58	-45.4	174.5	179	67.5	0	0	0	111.2	W549 R550 Y553 V566 P570 L571 G576 L577 V578	W549-L574 HydrophobicContact CB-CD2 4.12Å; R550-L574 HydrophobicContact CB-CD2 4.29Å; R550-L574 HydrophobicContact CG-CD2 3.33Å; Y553-L574 HydrophobicContact CD2-CD1 4.17Å; Y553-L574 HydrophobicContact CG-CD1 4.06Å; V566-L574 HydrophobicContact CG1-CD1 3.29Å; P570-L574 PolarHBondContact O-N 3.31Å; P570-L574 VanDerWaalsContact O-N 3.12Å; L571-L574 HydrophobicContact CD1-CD2 4.44Å; L571-L574 PolarHBondContact O-N 3.06Å; L574-G576 VanDerWaalsContact C-N 3.3Å; L574-G576 PolarHBondContact O-N 3.16Å; L574-L577 PolarHBondContact O-N 2.78Å; L574-L577 VanDerWaalsContact O-N 3.17Å; L574-V578 HydrophobicContact CD1-CG2 4.07Å; L574-V578 HydrophobicContact CG-CG2 4.24Å; L574-V578 WeakPolarHBondContact O-CG2 3.44Å; L574-V578 PolarHBondContact O-N 3Å
575	K	67.4	Low	60.9	Low	58 Å²	58	66.6 Å²	66.6	25%	0.252	33%	0.331	S	S	.	.	H	α-helix	trans	-55.9	-45.6	174.1	-73.4	-178.1	-174.7	-168.5	0	111.6	W549 L571 R573 R579	W549-K575 HydrophobicContact CD2-CB 4.42Å; W549-K575 HydrophobicContact CD2-CD 4.3Å; W549-K575 HydrophobicContact CD2-CG 3.54Å; W549-K575 HydrophobicContact CE3-CB 4.26Å; W549-K575 HydrophobicContact CE3-CG 3.86Å; W549-K575 HydrophobicContact CG-CG 3.85Å; W549-K575 HydrophobicContact CH2-CG 4.27Å; W549-K575 HydrophobicContact CZ2-CD 4.1Å; W549-K575 HydrophobicContact CZ2-CG 4.06Å; W549-K575 HydrophobicContact CZ3-CB 4.3Å; W549-K575 HydrophobicContact CZ3-CG 4.21Å; L571-K575 WeakPolarHBondContact O-CB 3.49Å; L571-K575 VanDerWaalsContact O-CG 3.25Å; L571-K575 WeakPolarHBondContact O-CG 3.22Å; L571-K575 PolarHBondContact O-N 3.16Å; R573-K575 VanDerWaalsContact C-N 3.32Å; R573-K575 PolarHBondContact O-N 3.45Å; K575-R579 VanDerWaalsContact O-CB 3.3Å; K575-R579 WeakPolarHBondContact O-CB 3.46Å; K575-R579 WeakPolarHBondContact O-CD 3.3Å; K575-R579 WeakPolarHBondContact O-CG 3.31Å; K575-R579 PolarHBondContact O-N 3.48Å
576	G	66.8	Low	60.8	Low	32 Å²	32	70.2 Å²	70.2	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-58.9	-47.7	175.2	0	0	0	0	0	112.2	P572 R573 L574 R579 E580	P572-G576 PolarHBondContact O-N 3.39Å; R573-G576 WeakPolarHBondContact O-CA 3.43Å; R573-G576 PolarHBondContact O-N 3.48Å; R573-G576 VanDerWaalsContact O-N 3.1Å; L574-G576 VanDerWaalsContact C-N 3.3Å; L574-G576 PolarHBondContact O-N 3.16Å; G576-R579 WeakPolarHBondContact O-CB 3.45Å; G576-R579 PolarHBondContact O-N 2.87Å; G576-E580 WeakPolarHBondContact O-CB 3.26Å; G576-E580 PolarHBondContact O-N 3.35Å
577	L	64.5	Low	60.7	Low	41 Å²	41	71.7 Å²	71.7	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-44.3	-179.4	-171.9	76.7	0	0	0	112.7	Y553 V566 M569 R573 L574 R579 E580 T581	Y553-L577 HydrophobicContact CD2-CD2 4.22Å; Y553-L577 HydrophobicContact CE2-CD2 3.52Å; Y553-L577 HydrophobicContact CE2-CG 4.27Å; V566-L577 HydrophobicContact CB-CD2 4.15Å; V566-L577 HydrophobicContact CG1-CD2 3.51Å; V566-L577 HydrophobicContact CG2-CD2 3.46Å; V566-L577 VanDerWaalsContact CG2-CD2 3.46Å; M569-L577 HydrophobicContact SD-CD2 4.23Å; R573-L577 PolarHBondContact O-N 3.31Å; L574-L577 PolarHBondContact O-N 2.78Å; L574-L577 VanDerWaalsContact O-N 3.17Å; L577-R579 VanDerWaalsContact C-N 3.33Å; L577-E580 PolarHBondContact O-N 2.98Å; L577-T581 VanDerWaalsContact O-CB 3.29Å; L577-T581 WeakPolarHBondContact O-CB 3.45Å; L577-T581 PolarHBondContact O-N 3.4Å; L577-T581 PolarHBondContact O-OG1 2.76Å
578	V	64.7	Low	60.4	Low	3 Å²	3	72.3 Å²	72.3	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-44.8	175.8	171.5	0	0	0	0	109.8	W549 L552 Y553 L574 E580 T581 V582	W549-V578 HydrophobicContact CE3-CB 4.19Å; W549-V578 HydrophobicContact CE3-CG1 4.1Å; W549-V578 HydrophobicContact CZ3-CG1 4.36Å; L552-V578 HydrophobicContact CB-CG1 4.18Å; Y553-V578 HydrophobicContact CD2-CG2 3.86Å; Y553-V578 HydrophobicContact CG-CG2 4.23Å; L574-V578 HydrophobicContact CD1-CG2 4.07Å; L574-V578 HydrophobicContact CG-CG2 4.24Å; L574-V578 WeakPolarHBondContact O-CG2 3.44Å; L574-V578 PolarHBondContact O-N 3Å; V578-E580 PolarHBondContact O-N 3.19Å; V578-T581 PolarHBondContact O-N 3.09Å; V578-V582 HydrophobicContact CG1-CG2 4.36Å; V578-V582 WeakPolarHBondContact O-CB 3.45Å; V578-V582 VanDerWaalsContact O-CG2 3.28Å; V578-V582 WeakPolarHBondContact O-CG2 3.41Å; V578-V582 PolarHBondContact O-N 3.48Å
579	R	65.2	Low	60	Low	94 Å²	94	67.1 Å²	67.1	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-53.5	-56.8	173.7	-77.8	168.6	-177.7	-169.3	-3.1	109.4	W549 K575 G576 L577 T581 V582 R583 D613 I617	W549-R579 HydrophobicContact CZ3-CG 4.37Å; K575-R579 VanDerWaalsContact O-CB 3.3Å; K575-R579 WeakPolarHBondContact O-CB 3.46Å; K575-R579 WeakPolarHBondContact O-CD 3.3Å; K575-R579 WeakPolarHBondContact O-CG 3.31Å; K575-R579 PolarHBondContact O-N 3.48Å; G576-R579 WeakPolarHBondContact O-CB 3.45Å; G576-R579 PolarHBondContact O-N 2.87Å; L577-R579 VanDerWaalsContact C-N 3.33Å; R579-T581 PolarHBondContact O-N 2.99Å; R579-V582 PolarHBondContact O-N 3.44Å; R579-R583 VanDerWaalsContact O-CG 3.25Å; R579-R583 WeakPolarHBondContact O-CG 3.14Å; R579-R583 PolarHBondContact O-N 2.7Å; R579-D613 IonicContact NH2-OD2 3.64Å; R579-D613 PolarHBondContact NH2-OD2 3.06Å; R579-I617 HydrophobicContact CG-CD1 3.5Å; R579-I617 HydrophobicContact CG-CG1 4.4Å
580	E	63.6	Low	59.6	Low	115 Å²	115	72.3 Å²	72.3	54%	0.537	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-38.6	-177.2	-169.2	153.2	-157.4	0	0	113.5	G576 L577 V578 R583 N584	G576-E580 WeakPolarHBondContact O-CB 3.26Å; G576-E580 PolarHBondContact O-N 3.35Å; L577-E580 PolarHBondContact O-N 2.98Å; V578-E580 PolarHBondContact O-N 3.19Å; E580-R583 WeakPolarHBondContact O-CA 3.32Å; E580-R583 WeakPolarHBondContact O-CB 3.39Å; E580-R583 PolarHBondContact O-N 3.33Å; E580-N584 PolarHBondContact O-N 2.95Å; E580-N584 PolarHBondContact O-ND2 2.76Å
581	T	61.6	Low	58.9	Low	19 Å²	19	70.6 Å²	70.6	12%	0.117	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-50.8	174.7	-53.3	0	0	0	0	109.4	R557 L577 V578 R579 R583 N584 T585 Y587	R557-T581 HydrophobicContact CG-CG2 3.83Å; L577-T581 VanDerWaalsContact O-CB 3.29Å; L577-T581 WeakPolarHBondContact O-CB 3.45Å; L577-T581 PolarHBondContact O-N 3.4Å; L577-T581 PolarHBondContact O-OG1 2.76Å; V578-T581 PolarHBondContact O-N 3.09Å; R579-T581 PolarHBondContact O-N 2.99Å; T581-R583 PolarHBondContact O-N 2.7Å; T581-R583 VanDerWaalsContact O-N 3.13Å; T581-N584 PolarHBondContact O-N 2.83Å; T581-T585 WeakPolarHBondContact O-CG2 3.39Å; T581-Y587 WeakPolarHBondContact CG2-OH 3.48Å; T581-Y587 PolarHBondContact O-OH 2.9Å
582	V	58.9	Low	58.4	Low	3 Å²	3	71.3 Å²	71.3	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-56.6	-27.5	173.3	169.9	0	0	0	0	112.2	V578 R579 T585 I617 L620 A621 L624	V578-V582 HydrophobicContact CG1-CG2 4.36Å; V578-V582 WeakPolarHBondContact O-CB 3.45Å; V578-V582 VanDerWaalsContact O-CG2 3.28Å; V578-V582 WeakPolarHBondContact O-CG2 3.41Å; V578-V582 PolarHBondContact O-N 3.48Å; R579-V582 PolarHBondContact O-N 3.44Å; V582-T585 VanDerWaalsContact O-CG2 3.31Å; V582-T585 WeakPolarHBondContact O-CG2 3.44Å; V582-T585 PolarHBondContact O-OG1 3.13Å; V582-I617 HydrophobicContact CB-CG2 4.25Å; V582-I617 HydrophobicContact CG1-CG2 4.19Å; V582-I617 HydrophobicContact CG2-CG2 3.92Å; V582-L620 HydrophobicContact CG1-CD2 4.37Å; V582-L620 HydrophobicContact CG1-CG 4.29Å; V582-A621 HydrophobicContact CB-CB 4.4Å; V582-A621 HydrophobicContact CG1-CB 3.68Å; V582-A621 HydrophobicContact CG2-CB 3.86Å; V582-L624 VanDerWaalsContact O-CD1 3.27Å; V582-L624 WeakPolarHBondContact O-CD1 3.12Å
583	R	61.7	Low	57.4	Low	143 Å²	143	70.3 Å²	70.3	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-70.9	-25.3	175.2	-59.3	-171.3	170.9	156.4	-5.6	114.9	R579 E580 T581 R666	R579-R583 VanDerWaalsContact O-CG 3.25Å; R579-R583 WeakPolarHBondContact O-CG 3.14Å; R579-R583 PolarHBondContact O-N 2.7Å; E580-R583 WeakPolarHBondContact O-CA 3.32Å; E580-R583 WeakPolarHBondContact O-CB 3.39Å; E580-R583 PolarHBondContact O-N 3.33Å; T581-R583 PolarHBondContact O-N 2.7Å; T581-R583 VanDerWaalsContact O-N 3.13Å; R583-R666 VanDerWaalsContact CA-NH1 3.26Å; R583-R666 VanDerWaalsContact CD-NH2 3.32Å
584	N	57	Low	56.7	Low	125 Å²	125	66 Å²	66	67%	0.668	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	29.1	-164.8	-65.3	-22.8	0	0	0	114	E580 T581	E580-N584 PolarHBondContact O-N 2.95Å; E580-N584 PolarHBondContact O-ND2 2.76Å; T581-N584 PolarHBondContact O-N 2.83Å
585	T	56	Low	56.2	Low	14 Å²	14	66.3 Å²	66.3	9%	0.086	34%	0.336	C	S	.	.			trans	-89.9	131.5	-154.7	47.5	0	0	0	0	116.8	T581 V582 Y587	T581-T585 WeakPolarHBondContact O-CG2 3.39Å; V582-T585 VanDerWaalsContact O-CG2 3.31Å; V582-T585 WeakPolarHBondContact O-CG2 3.44Å; V582-T585 PolarHBondContact O-OG1 3.13Å; T585-Y587 HydrophobicContact CG2-CD2 3.93Å; T585-Y587 HydrophobicContact CG2-CE1 3.98Å; T585-Y587 HydrophobicContact CG2-CE2 2.99Å; T585-Y587 WeakPolarHBondContact CG2-OH 3.17Å
586	K	47.1	Very low	55.7	Low	182 Å²	182	65.8 Å²	65.8	79%	0.791	34%	0.338	S	S	*	.			trans	-140.7	115.5	158.6	-77.9	-173.1	176	-174.7	0	107.4
587	Y	50.3	Low	55	Low	35 Å²	35	69.6 Å²	69.6	14%	0.137	35%	0.347	C	S	.	.			trans	-133.5	103.3	-161.5	-64.2	-46.1	0	0	0	117.5	F556 Q558 T581 T585 V589 R625	F556-Y587 HydrophobicContact CB-CE2 4.04Å; F556-Y587 HydrophobicContact CD1-CD2 4.32Å; F556-Y587 AromaticContact CD1-CE2 3.92Å; F556-Y587 HydrophobicContact CD1-CE2 3.92Å; F556-Y587 HydrophobicContact CG-CE2 4.41Å; F556-Y587 WeakPolarHBondContact O-CD1 3.17Å; F556-Y587 WeakPolarHBondContact O-CE1 3.5Å; F556-Y587 WeakPolarHBondContact O-CE2 3.21Å; F556-Y587 PolarHBondContact O-OH 2.64Å; Q558-Y587 HydrophobicContact CG-CD1 4.49Å; T581-Y587 WeakPolarHBondContact CG2-OH 3.48Å; T581-Y587 PolarHBondContact O-OH 2.9Å; T585-Y587 HydrophobicContact CG2-CD2 3.93Å; T585-Y587 HydrophobicContact CG2-CE1 3.98Å; T585-Y587 HydrophobicContact CG2-CE2 2.99Å; T585-Y587 WeakPolarHBondContact CG2-OH 3.17Å; Y587-V589 PolarHBondContact O-N 2.68Å; Y587-R625 PolarHBondContact O-NH1 3.01Å; Y587-R625 PolarHBondContact O-NH2 3.41Å
588	G	43.3	Very low	54.8	Low	34 Å²	34	68.8 Å²	68.8	35%	0.351	34%	0.342	S	S	.	.				69.6	-14.3	104.5	0	0	0	0	0	123.9
589	V	48.9	Very low	54.8	Low	34 Å²	34	68.7 Å²	68.7	21%	0.206	34%	0.341	C	S	.	.			trans	-103.9	123.2	172.7	-172.6	0	0	0	0	106.8	Y587 E594 I595	Y587-V589 PolarHBondContact O-N 2.68Å; V589-E594 HydrophobicContact CG1-CB 3.2Å; V589-E594 HydrophobicContact CG1-CG 4.38Å; V589-I595 HydrophobicContact CB-CG1 4.12Å; V589-I595 HydrophobicContact CG1-CG1 3.81Å
590	H	47.6	Very low	54.5	Low	166 Å²	166	67.5 Å²	67.5	77%	0.769	34%	0.341	S	S	*	.			trans	-108.8	-11.6	-162.4	-61.3	-56.3	0	0	0	113.8
591	S	50.3	Low	54.1	Low	41 Å²	41	63.4 Å²	63.4	29%	0.287	33%	0.325	S	S	.	.	S	Bend	trans	-122	142.5	179.4	72.7	0	0	0	0	112.5	P593 E594 I595	S591-P593 VanDerWaalsContact C-N 3.33Å; S591-E594 PolarHBondContact N-OE2 2.87Å; S591-E594 PolarHBondContact O-N 3Å; S591-E594 WeakPolarHBondContact OG-CB 3.26Å; S591-E594 WeakPolarHBondContact OG-CG 3.47Å; S591-E594 PolarHBondContact OG-OE2 3.37Å; S591-I595 WeakPolarHBondContact O-CG1 3.43Å; S591-I595 PolarHBondContact O-N 3.48Å
592	N	52.6	Low	54.3	Low	74 Å²	74	62.6 Å²	62.6	40%	0.396	32%	0.319	S	S	.	.	H	α-helix	trans	-53.4	-40.7	-179.4	-56	6.3	0	0	0	113.5	I595 V596 D631 I633	N592-I595 PolarHBondContact O-N 2.94Å; N592-V596 WeakPolarHBondContact O-CG2 3.28Å; N592-V596 PolarHBondContact O-N 3.16Å; N592-D631 PolarHBondContact OD1-OD2 3.18Å; N592-I633 WeakPolarHBondContact ND2-CD1 3.31Å
593	P	46.2	Very low	54.8	Low	81 Å²	81	62.7 Å²	62.7	53%	0.526	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.6	-20.9	33.3	0	0	0	112.7	S591 I595 V596 H597	S591-P593 VanDerWaalsContact C-N 3.33Å; P593-I595 VanDerWaalsContact C-N 3.34Å; P593-V596 PolarHBondContact O-N 3.45Å; P593-H597 WeakPolarHBondContact O-CB 3.41Å; P593-H597 PolarHBondContact O-CD2 2.79Å; P593-H597 PolarHBondContact O-N 2.91Å
594	E	50.7	Low	54.7	Low	91 Å²	91	57 Å²	57	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-37.7	177.8	-67.2	166.4	159.3	0	0	111.2	V589 S591 H597 F598	V589-E594 HydrophobicContact CG1-CB 3.2Å; V589-E594 HydrophobicContact CG1-CG 4.38Å; S591-E594 PolarHBondContact N-OE2 2.87Å; S591-E594 PolarHBondContact O-N 3Å; S591-E594 WeakPolarHBondContact OG-CB 3.26Å; S591-E594 WeakPolarHBondContact OG-CG 3.47Å; S591-E594 PolarHBondContact OG-OE2 3.37Å; E594-H597 PolarHBondContact O-N 3.47Å; E594-F598 WeakPolarHBondContact O-CB 3.48Å; E594-F598 PolarHBondContact O-N 3.1Å
595	I	56.8	Low	54.9	Low	7 Å²	7	52.7 Å²	52.7	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-49.3	174.1	-67.8	171.8	0	0	0	109.6	V589 S591 N592 P593 H597 F598 Y599 E634	V589-I595 HydrophobicContact CB-CG1 4.12Å; V589-I595 HydrophobicContact CG1-CG1 3.81Å; S591-I595 WeakPolarHBondContact O-CG1 3.43Å; S591-I595 PolarHBondContact O-N 3.48Å; N592-I595 PolarHBondContact O-N 2.94Å; P593-I595 VanDerWaalsContact C-N 3.34Å; I595-H597 PolarHBondContact O-N 2.93Å; I595-F598 WeakPolarHBondContact O-CB 3.39Å; I595-F598 PolarHBondContact O-N 2.91Å; I595-Y599 HydrophobicContact CG2-CD2 3.87Å; I595-Y599 HydrophobicContact CG2-CE2 3.98Å; I595-Y599 WeakPolarHBondContact O-CD2 3.31Å; I595-Y599 PolarHBondContact O-N 3.22Å; I595-E634 HydrophobicContact CG2-CB 3.85Å; I595-E634 HydrophobicContact CG2-CG 3.62Å
596	V	55.4	Low	55.5	Low	47 Å²	47	52 Å²	52	29%	0.285	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-45.3	178.9	174.2	0	0	0	0	111.4	N592 P593 F598 N600 T637	N592-V596 WeakPolarHBondContact O-CG2 3.28Å; N592-V596 PolarHBondContact O-N 3.16Å; P593-V596 PolarHBondContact O-N 3.45Å; V596-F598 VanDerWaalsContact C-N 3.34Å; V596-F598 PolarHBondContact O-N 2.96Å; V596-N600 WeakPolarHBondContact O-CB 3.45Å; V596-N600 PolarHBondContact O-N 3.33Å; V596-N600 PolarHBondContact O-ND2 3.04Å; V596-T637 HydrophobicContact CB-CG2 4.47Å; V596-T637 HydrophobicContact CG1-CG2 4.4Å; V596-T637 HydrophobicContact CG2-CG2 4.2Å
597	H	51.5	Low	56.5	Low	112 Å²	112	47.8 Å²	47.8	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-39.6	176.7	-75.3	-53.9	0	0	0	112.6	P593 E594 I595 T601	P593-H597 WeakPolarHBondContact O-CB 3.41Å; P593-H597 PolarHBondContact O-CD2 2.79Å; P593-H597 PolarHBondContact O-N 2.91Å; E594-H597 PolarHBondContact O-N 3.47Å; I595-H597 PolarHBondContact O-N 2.93Å; H597-T601 VanDerWaalsContact O-CB 3.3Å; H597-T601 WeakPolarHBondContact O-CB 3.44Å; H597-T601 PolarHBondContact O-N 2.99Å; H597-T601 PolarHBondContact O-OG1 2.91Å
598	F	60.5	Low	57.1	Low	25 Å²	25	52 Å²	52	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-56.2	176.6	175.1	-95.8	0	0	0	110.7	F556 E594 I595 V596 N600 T601 V602 L622	F556-F598 HydrophobicContact CD1-CZ 4.16Å; F556-F598 HydrophobicContact CE1-CE1 4.39Å; F556-F598 AromaticContact CE1-CZ 3.7Å; F556-F598 HydrophobicContact CE1-CZ 3.7Å; F556-F598 HydrophobicContact CZ-CZ 4.31Å; E594-F598 WeakPolarHBondContact O-CB 3.48Å; E594-F598 PolarHBondContact O-N 3.1Å; I595-F598 WeakPolarHBondContact O-CB 3.39Å; I595-F598 PolarHBondContact O-N 2.91Å; V596-F598 VanDerWaalsContact C-N 3.34Å; V596-F598 PolarHBondContact O-N 2.96Å; F598-N600 VanDerWaalsContact C-N 3.35Å; F598-N600 PolarHBondContact O-N 2.96Å; F598-T601 PolarHBondContact O-N 3.33Å; F598-T601 VanDerWaalsContact O-N 3.13Å; F598-V602 HydrophobicContact CD1-CG2 4.37Å; F598-V602 HydrophobicContact CD2-CG2 4.07Å; F598-V602 HydrophobicContact CE1-CG2 4.02Å; F598-V602 HydrophobicContact CE2-CG2 3.71Å; F598-V602 HydrophobicContact CG-CG2 4.39Å; F598-V602 HydrophobicContact CZ-CG2 3.68Å; F598-V602 WeakPolarHBondContact O-CG2 3.28Å; F598-V602 PolarHBondContact O-N 3.5Å; F598-L622 HydrophobicContact CE1-CD2 4.01Å
599	Y	65.8	Low	58.2	Low	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-44	-179.9	-84.2	-82.9	0	0	0	111.7	I595 T601 V602 C603 L622 R625 A626 E634 F638	I595-Y599 HydrophobicContact CG2-CD2 3.87Å; I595-Y599 HydrophobicContact CG2-CE2 3.98Å; I595-Y599 WeakPolarHBondContact O-CD2 3.31Å; I595-Y599 PolarHBondContact O-N 3.22Å; Y599-T601 VanDerWaalsContact C-N 3.29Å; Y599-T601 PolarHBondContact O-N 2.86Å; Y599-V602 PolarHBondContact O-N 3.29Å; Y599-C603 WeakPolarHBondContact O-CB 3.2Å; Y599-C603 PolarHBondContact O-N 3.47Å; Y599-C603 PolarHBondContact O-SG 3.5Å; Y599-L622 HydrophobicContact CD1-CD2 3.88Å; Y599-L622 HydrophobicContact CE1-CB 4.24Å; Y599-L622 HydrophobicContact CE1-CD2 3.66Å; Y599-L622 HydrophobicContact CE1-CG 4.48Å; Y599-L622 PolarHBondContact OH-O 2.8Å; Y599-R625 WeakPolarHBondContact OH-CG 3.26Å; Y599-A626 WeakPolarHBondContact OH-CA 3.48Å; Y599-A626 WeakPolarHBondContact OH-CB 3.35Å; Y599-A626 PolarHBondContact OH-N 2.86Å; Y599-E634 HydrophobicContact CD2-CG 4.39Å; Y599-E634 HydrophobicContact CE2-CG 3.43Å; Y599-E634 VanDerWaalsContact CE2-CG 3.43Å; Y599-E634 WeakPolarHBondContact CE2-OE1 3.42Å; Y599-F638 HydrophobicContact CD1-CB 3.85Å; Y599-F638 AromaticContact CD1-CD2 3.97Å; Y599-F638 HydrophobicContact CD1-CD2 3.97Å; Y599-F638 HydrophobicContact CD1-CG 4.41Å; Y599-F638 HydrophobicContact CE1-CB 3.51Å; Y599-F638 AromaticContact CE1-CD2 3.54Å; Y599-F638 HydrophobicContact CE1-CD2 3.54Å; Y599-F638 AromaticContact CE1-CG 3.9Å; Y599-F638 HydrophobicContact CE1-CG 3.9Å
600	N	58.7	Low	59.4	Low	69 Å²	69	58.1 Å²	58.1	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-41.8	176.7	-70.1	-12.7	0	0	0	111.9	V596 F598 A604 N641	V596-N600 WeakPolarHBondContact O-CB 3.45Å; V596-N600 PolarHBondContact O-N 3.33Å; V596-N600 PolarHBondContact O-ND2 3.04Å; F598-N600 VanDerWaalsContact C-N 3.35Å; F598-N600 PolarHBondContact O-N 2.96Å; N600-A604 VanDerWaalsContact O-CB 3.3Å; N600-A604 WeakPolarHBondContact O-CB 3.44Å; N600-A604 PolarHBondContact O-N 3.11Å; N600-N641 PolarHBondContact OD1-ND2 3.2Å; N600-N641 PolarHBondContact OD1-OD1 2.87Å
601	T	55.9	Low	60.8	Low	30 Å²	30	52.7 Å²	52.7	18%	0.184	27%	0.267	C	S	.	.	H	α-helix	trans	-70.4	-49.3	-178.4	-55.2	0	0	0	0	111.4	H597 F598 Y599 C603 A604 I605	H597-T601 VanDerWaalsContact O-CB 3.3Å; H597-T601 WeakPolarHBondContact O-CB 3.44Å; H597-T601 PolarHBondContact O-N 2.99Å; H597-T601 PolarHBondContact O-OG1 2.91Å; F598-T601 PolarHBondContact O-N 3.33Å; F598-T601 VanDerWaalsContact O-N 3.13Å; Y599-T601 VanDerWaalsContact C-N 3.29Å; Y599-T601 PolarHBondContact O-N 2.86Å; T601-C603 VanDerWaalsContact C-N 3.32Å; T601-C603 PolarHBondContact O-N 3.29Å; T601-A604 PolarHBondContact O-N 3.39Å; T601-I605 HydrophobicContact CG2-CD1 4.04Å; T601-I605 VanDerWaalsContact O-CG1 3.31Å; T601-I605 WeakPolarHBondContact O-CG1 3.39Å; T601-I605 PolarHBondContact O-N 2.84Å
602	V	65.8	Low	62.3	Low	1 Å²	1	53 Å²	53	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-39.1	-179.5	-176.5	0	0	0	0	110.8	L555 F556 F598 Y599 I605 L606 T618 L622	L555-V602 HydrophobicContact CD1-CG2 4.27Å; L555-V602 HydrophobicContact CD2-CG2 4.45Å; F556-V602 HydrophobicContact CZ-CG1 4.3Å; F598-V602 HydrophobicContact CD1-CG2 4.37Å; F598-V602 HydrophobicContact CD2-CG2 4.07Å; F598-V602 HydrophobicContact CE1-CG2 4.02Å; F598-V602 HydrophobicContact CE2-CG2 3.71Å; F598-V602 HydrophobicContact CG-CG2 4.39Å; F598-V602 HydrophobicContact CZ-CG2 3.68Å; F598-V602 WeakPolarHBondContact O-CG2 3.28Å; F598-V602 PolarHBondContact O-N 3.5Å; Y599-V602 PolarHBondContact O-N 3.29Å; V602-I605 WeakPolarHBondContact O-CB 3.33Å; V602-I605 PolarHBondContact O-N 2.98Å; V602-L606 WeakPolarHBondContact O-CB 3.21Å; V602-L606 PolarHBondContact O-N 3.23Å; V602-T618 HydrophobicContact CG1-CG2 3.65Å; V602-L622 HydrophobicContact CB-CD2 4.15Å; V602-L622 HydrophobicContact CG1-CD1 4.03Å; V602-L622 HydrophobicContact CG1-CD2 3.88Å; V602-L622 HydrophobicContact CG1-CG 4.19Å
603	C	67.8	Low	63.6	Low	6 Å²	6	52.8 Å²	52.8	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-43.2	174.8	-75.1	0	0	0	0	112.5	Y599 T601 I605 L606 E607 N641 I645	Y599-C603 WeakPolarHBondContact O-CB 3.2Å; Y599-C603 PolarHBondContact O-N 3.47Å; Y599-C603 PolarHBondContact O-SG 3.5Å; T601-C603 VanDerWaalsContact C-N 3.32Å; T601-C603 PolarHBondContact O-N 3.29Å; C603-I605 VanDerWaalsContact C-N 3.27Å; C603-I605 PolarHBondContact O-N 3.27Å; C603-L606 VanDerWaalsContact O-CB 3.26Å; C603-L606 WeakPolarHBondContact O-CB 3.4Å; C603-L606 PolarHBondContact O-N 2.8Å; C603-L606 VanDerWaalsContact O-N 3.1Å; C603-E607 PolarHBondContact O-N 3.47Å; C603-N641 HydrophobicContact CB-CB 4.08Å; C603-N641 VanDerWaalsContact SG-CB 3.57Å; C603-I645 HydrophobicContact CB-CD1 3.26Å; C603-I645 HydrophobicContact CB-CG1 4.33Å; C603-I645 VanDerWaalsContact SG-CD1 3.55Å
604	A	60.8	Low	64.9	Low	23 Å²	23	48.9 Å²	48.9	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-32.5	174.5	0	0	0	0	0	112.8	N600 T601	N600-A604 VanDerWaalsContact O-CB 3.3Å; N600-A604 WeakPolarHBondContact O-CB 3.44Å; N600-A604 PolarHBondContact O-N 3.11Å; T601-A604 PolarHBondContact O-N 3.39Å
605	I	60.8	Low	66.5	Low	34 Å²	34	44.6 Å²	44.6	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-43.9	171.1	-67.9	162.2	0	0	0	109.9	L551 L555 T601 V602 C603 E607 R608 L609	L551-I605 HydrophobicContact CD2-CD1 3.89Å; L551-I605 HydrophobicContact CD2-CG1 4.3Å; L551-I605 HydrophobicContact CD2-CG2 3.83Å; L551-I605 HydrophobicContact CG-CD1 4.5Å; L555-I605 HydrophobicContact CD1-CD1 3.88Å; T601-I605 HydrophobicContact CG2-CD1 4.04Å; T601-I605 VanDerWaalsContact O-CG1 3.31Å; T601-I605 WeakPolarHBondContact O-CG1 3.39Å; T601-I605 PolarHBondContact O-N 2.84Å; V602-I605 WeakPolarHBondContact O-CB 3.33Å; V602-I605 PolarHBondContact O-N 2.98Å; C603-I605 VanDerWaalsContact C-N 3.27Å; C603-I605 PolarHBondContact O-N 3.27Å; I605-E607 VanDerWaalsContact C-N 3.28Å; I605-E607 PolarHBondContact O-N 2.96Å; I605-R608 WeakPolarHBondContact O-CB 3.41Å; I605-R608 PolarHBondContact O-N 3.39Å; I605-L609 HydrophobicContact CG2-CD2 4.04Å; I605-L609 HydrophobicContact CG2-CG 4.27Å; I605-L609 WeakPolarHBondContact O-CG 3.49Å; I605-L609 PolarHBondContact O-N 3.3Å
606	L	69.6	Low	67.9	Low	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-53.7	-42.4	-178.5	-160.7	89.8	0	0	0	112.2	V602 C603 R608 L609 T618 I619 M642 I645 C652	V602-L606 WeakPolarHBondContact O-CB 3.21Å; V602-L606 PolarHBondContact O-N 3.23Å; C603-L606 VanDerWaalsContact O-CB 3.26Å; C603-L606 WeakPolarHBondContact O-CB 3.4Å; C603-L606 PolarHBondContact O-N 2.8Å; C603-L606 VanDerWaalsContact O-N 3.1Å; L606-R608 PolarHBondContact O-N 3.44Å; L606-R608 VanDerWaalsContact O-N 3.1Å; L606-L609 HydrophobicContact CD1-CD1 4.19Å; L606-L609 PolarHBondContact O-N 2.84Å; L606-T618 VanDerWaalsContact CD1-CB 3.44Å; L606-T618 HydrophobicContact CD1-CG2 3.41Å; L606-T618 VanDerWaalsContact CD1-CG2 3.41Å; L606-I619 HydrophobicContact CD1-CG1 4.01Å; L606-I619 HydrophobicContact CD2-CD1 4.28Å; L606-I619 HydrophobicContact CD2-CG1 3.84Å; L606-M642 HydrophobicContact CD2-CE 4.3Å; L606-M642 HydrophobicContact CD2-SD 4.22Å; L606-I645 HydrophobicContact CB-CD1 4.4Å; L606-I645 HydrophobicContact CD2-CD1 4.02Å; L606-I645 HydrophobicContact CD2-CG2 3.97Å; L606-C652 HydrophobicContact CD2-CB 4.29Å; L606-C652 WeakPolarHBondContact CD2-SG 3.28Å
607	E	66.9	Low	69.1	Low	93 Å²	93	44 Å²	44	44%	0.435	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.7	177.5	-70.2	-173.8	151.8	0	0	113.9	C603 I605 I645 S648	C603-E607 PolarHBondContact O-N 3.47Å; I605-E607 VanDerWaalsContact C-N 3.28Å; I605-E607 PolarHBondContact O-N 2.96Å; E607-I645 HydrophobicContact CG-CB 4.34Å; E607-I645 HydrophobicContact CG-CG1 3.86Å; E607-I645 HydrophobicContact CG-CG2 3.8Å; E607-S648 PolarHBondContact OE1-OG 2.87Å
608	R	63.7	Low	70.4	Confident	123 Å²	123	38.7 Å²	38.7	46%	0.464	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-14.8	-176.3	-60.2	174.9	178.4	-133.1	-12.2	113.4	E512 I605 L606 K610	E512-R608 VanDerWaalsContact CD-CZ 3.49Å; E512-R608 VanDerWaalsContact CG-NH2 3.32Å; E512-R608 IonicContact OE1-CZ 3.1Å; E512-R608 IonicContact OE1-NH1 2.74Å; E512-R608 PolarHBondContact OE1-NH1 2.92Å; E512-R608 IonicContact OE1-NH2 3.23Å; E512-R608 IonicContact OE2-CZ 3.8Å; E512-R608 IonicContact OE2-NH1 2.65Å; E512-R608 PolarHBondContact OE2-NH1 3.48Å; E512-R608 IonicContact OE2-NH2 3.55Å; E512-R608 PolarHBondContact OE2-NH2 3.09Å; I605-R608 WeakPolarHBondContact O-CB 3.41Å; I605-R608 PolarHBondContact O-N 3.39Å; L606-R608 PolarHBondContact O-N 3.44Å; L606-R608 VanDerWaalsContact O-N 3.1Å; R608-K610 PolarHBondContact O-N 2.96Å
609	L	65.2	Low	71.8	Confident	15 Å²	15	37.5 Å²	37.5	8%	0.079	19%	0.188	C	C	.	.			trans	-65.9	132.3	179.7	-64.1	-180	0	0	0	109.4	E548 I605 L606 T614 V615	E548-L609 HydrophobicContact CB-CD2 3.66Å; E548-L609 VanDerWaalsContact CD-CD2 3.46Å; E548-L609 HydrophobicContact CG-CD2 3.5Å; E548-L609 WeakPolarHBondContact OE1-CA 3.36Å; I605-L609 HydrophobicContact CG2-CD2 4.04Å; I605-L609 HydrophobicContact CG2-CG 4.27Å; I605-L609 WeakPolarHBondContact O-CG 3.49Å; I605-L609 PolarHBondContact O-N 3.3Å; L606-L609 HydrophobicContact CD1-CD1 4.19Å; L606-L609 PolarHBondContact O-N 2.84Å; L609-T614 HydrophobicContact CD1-CG2 3.95Å; L609-T614 HydrophobicContact CD2-CG2 4.23Å; L609-V615 HydrophobicContact CB-CG2 3.53Å; L609-V615 HydrophobicContact CD1-CG2 4.25Å
610	K	73.8	Confident	72.8	Confident	183 Å²	183	38.2 Å²	38.2	80%	0.796	19%	0.192	S	C	*	.			trans	-102.6	-19.6	-179.2	-62	-171.2	-178	-176.2	0	112.5	E548 R608 P612	E548-K610 PolarHBondContact OE1-N 2.88Å; R608-K610 PolarHBondContact O-N 2.96Å; K610-P612 WeakPolarHBondContact O-CD 3.45Å
611	N	77.8	Confident	73.8	Confident	52 Å²	52	34.9 Å²	34.9	28%	0.278	17%	0.174	S	C	.	.			trans	-87	120.5	-176.8	-173.9	-51.1	0	0	0	111.2	E548 D613 T614 V615	E548-N611 VanDerWaalsContact OE2-CB 3.23Å; E548-N611 WeakPolarHBondContact OE2-CB 3.41Å; N611-D613 VanDerWaalsContact C-N 3.31Å; N611-D613 PolarHBondContact O-N 2.9Å; N611-D613 WeakPolarHBondContact OD1-CB 3.37Å; N611-D613 PolarHBondContact OD1-N 3.41Å; N611-T614 VanDerWaalsContact CB-OG1 3.32Å; N611-T614 WeakPolarHBondContact CB-OG1 3.44Å; N611-T614 WeakPolarHBondContact O-CB 3.11Å; N611-T614 PolarHBondContact O-N 3.42Å; N611-T614 VanDerWaalsContact O-N 3.17Å; N611-T614 PolarHBondContact OD1-N 3.44Å; N611-V615 WeakPolarHBondContact O-CG2 3.32Å; N611-V615 PolarHBondContact O-N 2.93Å
612	P	82.1	Confident	75.2	Confident	48 Å²	48	33.5 Å²	33.5	31%	0.312	17%	0.165	S	C	.	.	H	α-helix	trans	-59.2	-37.1	-178.7	-22	30.9	0	0	0	113.9	K610 V615 S616 L651 Q655	K610-P612 WeakPolarHBondContact O-CD 3.45Å; P612-V615 PolarHBondContact O-N 3.38Å; P612-S616 WeakPolarHBondContact O-CB 3.5Å; P612-S616 PolarHBondContact O-N 3.48Å; P612-L651 HydrophobicContact CB-CD1 4.08Å; P612-L651 HydrophobicContact CG-CD1 4Å; P612-Q655 HydrophobicContact CB-CG 4.31Å; P612-Q655 WeakPolarHBondContact O-CG 3.49Å
613	D	79.6	Confident	76.1	Confident	68 Å²	68	33.4 Å²	33.4	36%	0.364	17%	0.165	S	C	.	.	H	α-helix	trans	-67	-44	178.6	-75.3	3	0	0	0	110.4	W549 R579 N611 S616 I617	W549-D613 HydrophobicContact CH2-CB 4.4Å; W549-D613 HydrophobicContact CZ2-CB 4.21Å; R579-D613 IonicContact NH2-OD2 3.64Å; R579-D613 PolarHBondContact NH2-OD2 3.06Å; N611-D613 VanDerWaalsContact C-N 3.31Å; N611-D613 PolarHBondContact O-N 2.9Å; N611-D613 WeakPolarHBondContact OD1-CB 3.37Å; N611-D613 PolarHBondContact OD1-N 3.41Å; D613-S616 PolarHBondContact O-N 3.24Å; D613-I617 WeakPolarHBondContact O-CB 3.48Å; D613-I617 WeakPolarHBondContact O-CD1 3.06Å; D613-I617 WeakPolarHBondContact O-CG1 3.23Å; D613-I617 PolarHBondContact O-N 2.63Å
614	T	74.6	Confident	76.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-46.5	177.4	-49.9	0	0	0	0	110.5	E548 W549 L552 L609 N611 I617 T618	E548-T614 HydrophobicContact CB-CG2 3.69Å; E548-T614 WeakPolarHBondContact OE2-CB 3.47Å; E548-T614 WeakPolarHBondContact OE2-CG2 2.99Å; E548-T614 PolarHBondContact OE2-OG1 2.95Å; W549-T614 WeakPolarHBondContact CZ2-OG1 3.47Å; W549-T614 PolarHBondContact NE1-OG1 3.27Å; L552-T614 HydrophobicContact CD1-CG2 3.38Å; L552-T614 HydrophobicContact CG-CG2 4.37Å; L609-T614 HydrophobicContact CD1-CG2 3.95Å; L609-T614 HydrophobicContact CD2-CG2 4.23Å; N611-T614 VanDerWaalsContact CB-OG1 3.32Å; N611-T614 WeakPolarHBondContact CB-OG1 3.44Å; N611-T614 WeakPolarHBondContact O-CB 3.11Å; N611-T614 PolarHBondContact O-N 3.42Å; N611-T614 VanDerWaalsContact O-N 3.17Å; N611-T614 PolarHBondContact OD1-N 3.44Å; T614-I617 PolarHBondContact O-N 2.99Å; T614-T618 WeakPolarHBondContact O-CB 3.23Å; T614-T618 PolarHBondContact O-N 2.99Å; T614-T618 PolarHBondContact O-OG1 3.11Å
615	V	83.1	Confident	77.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-50.5	176.4	173.6	0	0	0	0	110.5	L609 N611 P612 I617 T618 I619 L651 C652 Q655	L609-V615 HydrophobicContact CB-CG2 3.53Å; L609-V615 HydrophobicContact CD1-CG2 4.25Å; N611-V615 WeakPolarHBondContact O-CG2 3.32Å; N611-V615 PolarHBondContact O-N 2.93Å; P612-V615 PolarHBondContact O-N 3.38Å; V615-I617 PolarHBondContact O-N 3.27Å; V615-T618 PolarHBondContact O-N 2.95Å; V615-I619 HydrophobicContact CG1-CD1 3.78Å; V615-I619 HydrophobicContact CG1-CG1 4.41Å; V615-I619 WeakPolarHBondContact O-CG1 3.12Å; V615-I619 PolarHBondContact O-N 3.4Å; V615-L651 HydrophobicContact CG2-CD2 3.88Å; V615-L651 HydrophobicContact CG2-CG 4.22Å; V615-C652 HydrophobicContact CG1-CB 4.47Å; V615-Q655 HydrophobicContact CB-CG 4.19Å; V615-Q655 HydrophobicContact CG1-CB 3.9Å; V615-Q655 HydrophobicContact CG1-CG 3.97Å
616	S	85.6	Confident	78.7	Confident	22 Å²	22	31.2 Å²	31.2	15%	0.154	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-44	-179	-171.9	0	0	0	0	112.3	P612 D613 T618 I619 L620	P612-S616 WeakPolarHBondContact O-CB 3.5Å; P612-S616 PolarHBondContact O-N 3.48Å; D613-S616 PolarHBondContact O-N 3.24Å; S616-T618 VanDerWaalsContact C-N 3.35Å; S616-T618 PolarHBondContact O-N 3.12Å; S616-I619 PolarHBondContact O-N 2.98Å; S616-L620 WeakPolarHBondContact O-CB 3.45Å; S616-L620 PolarHBondContact O-N 3.5Å
617	I	80.8	Confident	79.3	Confident	20 Å²	20	32.5 Å²	32.5	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-66.8	-37.9	178.5	-73.4	160.2	0	0	0	111.5	W549 R579 V582 D613 T614 V615 L620 A621	W549-I617 HydrophobicContact CH2-CD1 3.34Å; W549-I617 HydrophobicContact CZ3-CD1 3.59Å; R579-I617 HydrophobicContact CG-CD1 3.5Å; R579-I617 HydrophobicContact CG-CG1 4.4Å; V582-I617 HydrophobicContact CB-CG2 4.25Å; V582-I617 HydrophobicContact CG1-CG2 4.19Å; V582-I617 HydrophobicContact CG2-CG2 3.92Å; D613-I617 WeakPolarHBondContact O-CB 3.48Å; D613-I617 WeakPolarHBondContact O-CD1 3.06Å; D613-I617 WeakPolarHBondContact O-CG1 3.23Å; D613-I617 PolarHBondContact O-N 2.63Å; T614-I617 PolarHBondContact O-N 2.99Å; V615-I617 PolarHBondContact O-N 3.27Å; I617-L620 PolarHBondContact O-N 2.92Å; I617-A621 WeakPolarHBondContact O-CB 3.4Å; I617-A621 PolarHBondContact O-N 3.3Å
618	T	80.5	Confident	79.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-44.8	177.6	-50.7	0	0	0	0	110.8	L552 F556 V602 L606 T614 V615 S616 L620 A621 L622	L552-T618 WeakPolarHBondContact CD1-OG1 3.11Å; L552-T618 HydrophobicContact CD2-CG2 3.71Å; L552-T618 WeakPolarHBondContact CD2-OG1 3.34Å; F556-T618 HydrophobicContact CE2-CG2 4.45Å; V602-T618 HydrophobicContact CG1-CG2 3.65Å; L606-T618 VanDerWaalsContact CD1-CB 3.44Å; L606-T618 HydrophobicContact CD1-CG2 3.41Å; L606-T618 VanDerWaalsContact CD1-CG2 3.41Å; T614-T618 WeakPolarHBondContact O-CB 3.23Å; T614-T618 PolarHBondContact O-N 2.99Å; T614-T618 PolarHBondContact O-OG1 3.11Å; V615-T618 PolarHBondContact O-N 2.95Å; S616-T618 VanDerWaalsContact C-N 3.35Å; S616-T618 PolarHBondContact O-N 3.12Å; T618-L620 VanDerWaalsContact C-N 3.32Å; T618-L620 PolarHBondContact O-N 3.2Å; T618-A621 PolarHBondContact O-N 2.87Å; T618-L622 WeakPolarHBondContact O-CG 3.27Å; T618-L622 PolarHBondContact O-N 3.39Å
619	I	88.2	Confident	80.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.7	-45.6	174	-66	171.5	0	0	0	110.1	L606 V615 S616 A621 L622 L623 M642 C652 Q655 F656 A659	L606-I619 HydrophobicContact CD1-CG1 4.01Å; L606-I619 HydrophobicContact CD2-CD1 4.28Å; L606-I619 HydrophobicContact CD2-CG1 3.84Å; V615-I619 HydrophobicContact CG1-CD1 3.78Å; V615-I619 HydrophobicContact CG1-CG1 4.41Å; V615-I619 WeakPolarHBondContact O-CG1 3.12Å; V615-I619 PolarHBondContact O-N 3.4Å; S616-I619 PolarHBondContact O-N 2.98Å; I619-A621 VanDerWaalsContact C-N 3.33Å; I619-A621 PolarHBondContact O-N 3.44Å; I619-L622 PolarHBondContact O-N 2.91Å; I619-L623 HydrophobicContact CG2-CD1 3.86Å; I619-L623 HydrophobicContact CG2-CG 4.26Å; I619-L623 WeakPolarHBondContact O-CB 3.33Å; I619-L623 VanDerWaalsContact O-CG 3.3Å; I619-L623 WeakPolarHBondContact O-CG 3.22Å; I619-L623 PolarHBondContact O-N 2.89Å; I619-M642 HydrophobicContact CD1-CE 4.32Å; I619-M642 HydrophobicContact CG1-CE 4.08Å; I619-M642 HydrophobicContact CG2-CE 4.26Å; I619-C652 HydrophobicContact CD1-CB 4.38Å; I619-Q655 HydrophobicContact CD1-CB 4.22Å; I619-F656 HydrophobicContact CG2-CD2 3.72Å; I619-F656 HydrophobicContact CG2-CE2 4.24Å; I619-A659 HydrophobicContact CB-CB 3.97Å; I619-A659 HydrophobicContact CG2-CB 3.67Å
620	L	86.7	Confident	80.3	Confident	15 Å²	15	35.2 Å²	35.2	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-44.7	176.3	176.4	61.6	0	0	0	111.4	V582 S616 I617 T618 L622 L623 L624 A659 E662 C663	V582-L620 HydrophobicContact CG1-CD2 4.37Å; V582-L620 HydrophobicContact CG1-CG 4.29Å; S616-L620 WeakPolarHBondContact O-CB 3.45Å; S616-L620 PolarHBondContact O-N 3.5Å; I617-L620 PolarHBondContact O-N 2.92Å; T618-L620 VanDerWaalsContact C-N 3.32Å; T618-L620 PolarHBondContact O-N 3.2Å; L620-L622 PolarHBondContact O-N 3.3Å; L620-L623 PolarHBondContact O-N 3.43Å; L620-L624 HydrophobicContact CD1-CD1 3.85Å; L620-L624 HydrophobicContact CD1-CD2 4.24Å; L620-L624 HydrophobicContact CD1-CG 3.85Å; L620-L624 HydrophobicContact CG-CD1 3.86Å; L620-L624 HydrophobicContact CG-CG 4.28Å; L620-L624 WeakPolarHBondContact O-CB 3.31Å; L620-L624 VanDerWaalsContact O-CG 3.24Å; L620-L624 WeakPolarHBondContact O-CG 3.15Å; L620-L624 PolarHBondContact O-N 3.18Å; L620-A659 HydrophobicContact CB-CB 4.12Å; L620-A659 WeakPolarHBondContact CD1-O 3.19Å; L620-E662 HydrophobicContact CD1-CB 4.01Å; L620-E662 HydrophobicContact CD1-CG 4.12Å; L620-E662 HydrophobicContact CD2-CB 4.16Å; L620-E662 HydrophobicContact CD2-CG 3.69Å; L620-C663 HydrophobicContact CD1-CB 4.04Å
621	A	80.4	Confident	80.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-43.7	178.1	0	0	0	0	0	112.1	F556 V582 I617 T618 I619 R625	F556-A621 HydrophobicContact CD1-CB 4.11Å; F556-A621 HydrophobicContact CD2-CB 4.38Å; F556-A621 HydrophobicContact CE1-CB 3.56Å; F556-A621 HydrophobicContact CE2-CB 3.89Å; F556-A621 HydrophobicContact CZ-CB 3.44Å; F556-A621 VanDerWaalsContact CZ-CB 3.44Å; V582-A621 HydrophobicContact CB-CB 4.4Å; V582-A621 HydrophobicContact CG1-CB 3.68Å; V582-A621 HydrophobicContact CG2-CB 3.86Å; I617-A621 WeakPolarHBondContact O-CB 3.4Å; I617-A621 PolarHBondContact O-N 3.3Å; T618-A621 PolarHBondContact O-N 2.87Å; I619-A621 VanDerWaalsContact C-N 3.33Å; I619-A621 PolarHBondContact O-N 3.44Å; A621-R625 VanDerWaalsContact O-CB 3.24Å; A621-R625 WeakPolarHBondContact O-CB 3.32Å; A621-R625 PolarHBondContact O-N 2.96Å
622	L	84.8	Confident	79.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-40.4	177.1	-67.6	176.3	0	0	0	112.2	F556 F598 Y599 V602 T618 I619 L620 A626 F638 M642	F556-L622 HydrophobicContact CZ-CD2 4.42Å; F598-L622 HydrophobicContact CE1-CD2 4.01Å; Y599-L622 HydrophobicContact CD1-CD2 3.88Å; Y599-L622 HydrophobicContact CE1-CB 4.24Å; Y599-L622 HydrophobicContact CE1-CD2 3.66Å; Y599-L622 HydrophobicContact CE1-CG 4.48Å; Y599-L622 PolarHBondContact OH-O 2.8Å; V602-L622 HydrophobicContact CB-CD2 4.15Å; V602-L622 HydrophobicContact CG1-CD1 4.03Å; V602-L622 HydrophobicContact CG1-CD2 3.88Å; V602-L622 HydrophobicContact CG1-CG 4.19Å; T618-L622 WeakPolarHBondContact O-CG 3.27Å; T618-L622 PolarHBondContact O-N 3.39Å; I619-L622 PolarHBondContact O-N 2.91Å; L620-L622 PolarHBondContact O-N 3.3Å; L622-A626 VanDerWaalsContact O-CB 3.24Å; L622-A626 WeakPolarHBondContact O-CB 3.31Å; L622-A626 PolarHBondContact O-N 3.49Å; L622-F638 HydrophobicContact CB-CD2 3.92Å; L622-F638 HydrophobicContact CB-CE2 3.58Å; L622-M642 HydrophobicContact CD1-SD 4.34Å
623	L	86.3	Confident	79.1	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-55.6	174	-76.2	168.4	0	0	0	110.7	I619 L620 R625 A626 F627 F638 F656 A659 M660 C663 C672	I619-L623 HydrophobicContact CG2-CD1 3.86Å; I619-L623 HydrophobicContact CG2-CG 4.26Å; I619-L623 WeakPolarHBondContact O-CB 3.33Å; I619-L623 VanDerWaalsContact O-CG 3.3Å; I619-L623 WeakPolarHBondContact O-CG 3.22Å; I619-L623 PolarHBondContact O-N 2.89Å; L620-L623 PolarHBondContact O-N 3.43Å; L623-R625 PolarHBondContact O-N 3.35Å; L623-A626 PolarHBondContact O-N 3.46Å; L623-F627 HydrophobicContact CD2-CD2 4.22Å; L623-F627 HydrophobicContact CD2-CE2 3.73Å; L623-F627 WeakPolarHBondContact O-CB 3.15Å; L623-F627 WeakPolarHBondContact O-CD2 3.48Å; L623-F627 PolarHBondContact O-N 3.31Å; L623-F638 HydrophobicContact CD2-CE1 3.68Å; L623-F638 HydrophobicContact CD2-CZ 3.41Å; L623-F638 VanDerWaalsContact CD2-CZ 3.41Å; L623-F638 HydrophobicContact CG-CZ 3.82Å; L623-F656 HydrophobicContact CD2-CE2 4.23Å; L623-F656 HydrophobicContact CD2-CZ 4.37Å; L623-A659 HydrophobicContact CD1-CB 4.15Å; L623-M660 HydrophobicContact CD1-CB 4.46Å; L623-M660 HydrophobicContact CD1-SD 4.28Å; L623-M660 HydrophobicContact CD2-SD 4.18Å; L623-C663 HydrophobicContact CB-CB 4.23Å; L623-C663 HydrophobicContact CD1-CB 4.15Å; L623-C672 VanDerWaalsContact CD2-SG 3.58Å
624	L	81.8	Confident	78.6	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-40.2	-178.8	-65.6	172	0	0	0	110.9	V582 L620 S628 C663 R666 M667	V582-L624 VanDerWaalsContact O-CD1 3.27Å; V582-L624 WeakPolarHBondContact O-CD1 3.12Å; L620-L624 HydrophobicContact CD1-CD1 3.85Å; L620-L624 HydrophobicContact CD1-CD2 4.24Å; L620-L624 HydrophobicContact CD1-CG 3.85Å; L620-L624 HydrophobicContact CG-CD1 3.86Å; L620-L624 HydrophobicContact CG-CG 4.28Å; L620-L624 WeakPolarHBondContact O-CB 3.31Å; L620-L624 VanDerWaalsContact O-CG 3.24Å; L620-L624 WeakPolarHBondContact O-CG 3.15Å; L620-L624 PolarHBondContact O-N 3.18Å; L624-S628 WeakPolarHBondContact O-CB 3.38Å; L624-S628 PolarHBondContact O-N 2.99Å; L624-S628 PolarHBondContact O-OG 3.08Å; L624-C663 HydrophobicContact CD2-CB 4.47Å; L624-R666 HydrophobicContact CD2-CB 4.33Å; L624-M667 HydrophobicContact CB-CE 3.9Å; L624-M667 HydrophobicContact CD2-CE 3.59Å; L624-M667 HydrophobicContact CG-CE 4.33Å; L624-M667 VanDerWaalsContact O-CE 3.28Å; L624-M667 WeakPolarHBondContact O-CE 3.33Å
625	R	79.9	Confident	78.7	Confident	12 Å²	12	33.7 Å²	33.7	5%	0.045	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-52.1	175.2	-175.5	-176.7	170.4	83.8	35.2	112.1	Y587 Y599 A621 L623 F627 S628 S629 E634	Y587-R625 PolarHBondContact O-NH1 3.01Å; Y587-R625 PolarHBondContact O-NH2 3.41Å; Y599-R625 WeakPolarHBondContact OH-CG 3.26Å; A621-R625 VanDerWaalsContact O-CB 3.24Å; A621-R625 WeakPolarHBondContact O-CB 3.32Å; A621-R625 PolarHBondContact O-N 2.96Å; L623-R625 PolarHBondContact O-N 3.35Å; R625-F627 VanDerWaalsContact C-N 3.3Å; R625-F627 PolarHBondContact O-N 2.9Å; R625-S628 PolarHBondContact O-N 3.18Å; R625-S628 PolarHBondContact O-OG 3.29Å; R625-S628 VanDerWaalsContact O-OG 3.08Å; R625-S629 PolarHBondContact O-N 3.38Å; R625-E634 WeakPolarHBondContact CG-OE1 3.31Å; R625-E634 IonicContact CZ-OE1 3.16Å; R625-E634 IonicContact NE-OE1 3.72Å; R625-E634 PolarHBondContact NE-OE1 3Å; R625-E634 IonicContact NH2-OE1 2.63Å; R625-E634 PolarHBondContact NH2-OE1 3.48Å
626	A	81.9	Confident	78.2	Confident	2 Å²	2	38 Å²	38	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-36.4	-176.9	0	0	0	0	0	112.5	Y599 L622 L623 F638	Y599-A626 WeakPolarHBondContact OH-CA 3.48Å; Y599-A626 WeakPolarHBondContact OH-CB 3.35Å; Y599-A626 PolarHBondContact OH-N 2.86Å; L622-A626 VanDerWaalsContact O-CB 3.24Å; L622-A626 WeakPolarHBondContact O-CB 3.31Å; L622-A626 PolarHBondContact O-N 3.49Å; L623-A626 PolarHBondContact O-N 3.46Å; A626-F638 HydrophobicContact CB-CB 3.77Å; A626-F638 HydrophobicContact CB-CD1 3.66Å; A626-F638 HydrophobicContact CB-CD2 4.34Å; A626-F638 HydrophobicContact CB-CE1 4.36Å; A626-F638 HydrophobicContact CB-CG 3.64Å
627	F	81.6	Confident	77.4	Confident	26 Å²	26	38 Å²	38	11%	0.114	20%	0.199	C	C	.	.	H	α-helix	trans	-90.4	-11.7	-178.7	-71.8	-70.9	0	0	0	114.7	L623 R625 F638 M667 A670 N671 C672	L623-F627 HydrophobicContact CD2-CD2 4.22Å; L623-F627 HydrophobicContact CD2-CE2 3.73Å; L623-F627 WeakPolarHBondContact O-CB 3.15Å; L623-F627 WeakPolarHBondContact O-CD2 3.48Å; L623-F627 PolarHBondContact O-N 3.31Å; R625-F627 VanDerWaalsContact C-N 3.3Å; R625-F627 PolarHBondContact O-N 2.9Å; F627-F638 HydrophobicContact CE2-CE1 4.19Å; F627-M667 HydrophobicContact CB-SD 3.94Å; F627-A670 HydrophobicContact CB-CB 4.13Å; F627-A670 HydrophobicContact CD1-CB 3.87Å; F627-A670 HydrophobicContact CD2-CB 3.98Å; F627-A670 HydrophobicContact CE1-CB 4.31Å; F627-A670 HydrophobicContact CE2-CB 4.46Å; F627-A670 HydrophobicContact CG-CB 3.7Å; F627-N671 VanDerWaalsContact CE1-N 3.32Å; F627-N671 WeakPolarHBondContact CE1-O 3.25Å; F627-N671 WeakPolarHBondContact CZ-O 3.14Å; F627-C672 WeakPolarHBondContact CE2-SG 3.4Å; F627-C672 WeakPolarHBondContact CZ-SG 3.49Å
628	S	75.6	Confident	77.5	Confident	51 Å²	51	37 Å²	37	36%	0.357	19%	0.194	S	C	.	.	H	α-helix	trans	-88.4	-16.2	168.7	54.7	0	0	0	0	113.2	L624 R625	L624-S628 WeakPolarHBondContact O-CB 3.38Å; L624-S628 PolarHBondContact O-N 2.99Å; L624-S628 PolarHBondContact O-OG 3.08Å; R625-S628 PolarHBondContact O-N 3.18Å; R625-S628 PolarHBondContact O-OG 3.29Å; R625-S628 VanDerWaalsContact O-OG 3.08Å
629	S	73.9	Confident	77.5	Confident	39 Å²	39	38 Å²	38	27%	0.273	20%	0.199	S	C	.	.			trans	-74.6	140.1	178.2	-165.8	0	0	0	0	111.7	R625 D631 E634	R625-S629 PolarHBondContact O-N 3.38Å; S629-D631 VanDerWaalsContact C-N 3.3Å; S629-D631 PolarHBondContact OG-N 3.4Å; S629-E634 WeakPolarHBondContact CB-OE2 3.41Å; S629-E634 PolarHBondContact OG-OE2 3.29Å
630	E	68.3	Low	76.8	Confident	198 Å²	198	45.3 Å²	45.3	93%	0.925	23%	0.23	S	C	*	.	S	Bend	trans	-82.4	-10.4	169.5	-64.6	-175	174.6	0	0	112
631	D	69.1	Low	76.1	Confident	45 Å²	45	45.9 Å²	45.9	24%	0.241	23%	0.234	C	C	.	.			trans	-88.6	113.7	-179.4	-171.6	-3.6	0	0	0	111.8	N592 S629 I633 E634	N592-D631 PolarHBondContact OD1-OD2 3.18Å; S629-D631 VanDerWaalsContact C-N 3.3Å; S629-D631 PolarHBondContact OG-N 3.4Å; D631-I633 PolarHBondContact O-N 2.97Å; D631-I633 VanDerWaalsContact OD1-CB 3.31Å; D631-I633 WeakPolarHBondContact OD1-CB 3.25Å; D631-I633 WeakPolarHBondContact OD1-CG1 3.34Å; D631-I633 PolarHBondContact OD1-N 3.14Å; D631-E634 HydrophobicContact CB-CB 4.47Å; D631-E634 WeakPolarHBondContact O-CB 3.05Å; D631-E634 PolarHBondContact O-N 3.41Å; D631-E634 VanDerWaalsContact O-N 3.1Å
632	D	70.6	Confident	76.2	Confident	120 Å²	120	45.9 Å²	45.9	64%	0.642	23%	0.234	S	C	*	.	H	α-helix	trans	-57.7	-28.8	175.3	-76.9	-30.2	0	0	0	112.8	E634 R635 V636	D632-E634 VanDerWaalsContact C-N 3.29Å; D632-E634 PolarHBondContact O-N 3.19Å; D632-R635 PolarHBondContact O-N 3.2Å; D632-V636 WeakPolarHBondContact O-CB 3.4Å; D632-V636 VanDerWaalsContact O-CG2 3.27Å; D632-V636 WeakPolarHBondContact O-CG2 3.4Å; D632-V636 PolarHBondContact O-N 3.39Å
633	I	67.2	Low	75.8	Confident	73 Å²	73	48.1 Å²	48.1	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-39.3	178.2	-65	169	0	0	0	110.6	N592 D631 V636 T637	N592-I633 WeakPolarHBondContact ND2-CD1 3.31Å; D631-I633 PolarHBondContact O-N 2.97Å; D631-I633 VanDerWaalsContact OD1-CB 3.31Å; D631-I633 WeakPolarHBondContact OD1-CB 3.25Å; D631-I633 WeakPolarHBondContact OD1-CG1 3.34Å; D631-I633 PolarHBondContact OD1-N 3.14Å; I633-V636 PolarHBondContact O-N 2.87Å; I633-T637 VanDerWaalsContact O-CB 3.27Å; I633-T637 WeakPolarHBondContact O-CB 3.05Å; I633-T637 PolarHBondContact O-N 3.36Å; I633-T637 PolarHBondContact O-OG1 3.1Å
634	E	70.6	Confident	75	Confident	8 Å²	8	51.6 Å²	51.6	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-46.3	179.1	-171.5	156.6	-157.6	0	0	110.5	I595 Y599 R625 S629 D631 D632 T637 F638	I595-E634 HydrophobicContact CG2-CB 3.85Å; I595-E634 HydrophobicContact CG2-CG 3.62Å; Y599-E634 HydrophobicContact CD2-CG 4.39Å; Y599-E634 HydrophobicContact CE2-CG 3.43Å; Y599-E634 VanDerWaalsContact CE2-CG 3.43Å; Y599-E634 WeakPolarHBondContact CE2-OE1 3.42Å; R625-E634 WeakPolarHBondContact CG-OE1 3.31Å; R625-E634 IonicContact CZ-OE1 3.16Å; R625-E634 IonicContact NE-OE1 3.72Å; R625-E634 PolarHBondContact NE-OE1 3Å; R625-E634 IonicContact NH2-OE1 2.63Å; R625-E634 PolarHBondContact NH2-OE1 3.48Å; S629-E634 WeakPolarHBondContact CB-OE2 3.41Å; S629-E634 PolarHBondContact OG-OE2 3.29Å; D631-E634 HydrophobicContact CB-CB 4.47Å; D631-E634 WeakPolarHBondContact O-CB 3.05Å; D631-E634 PolarHBondContact O-N 3.41Å; D631-E634 VanDerWaalsContact O-N 3.1Å; D632-E634 VanDerWaalsContact C-N 3.29Å; D632-E634 PolarHBondContact O-N 3.19Å; E634-T637 PolarHBondContact O-N 2.89Å; E634-F638 WeakPolarHBondContact O-CB 3.31Å; E634-F638 PolarHBondContact O-N 3.29Å
635	R	76.6	Confident	74.6	Confident	74 Å²	74	51.7 Å²	51.7	28%	0.279	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-46.8	177	-174.1	-179.1	-177.4	166.4	1.8	112.7	D632 T637 F638 E639 N671	D632-R635 PolarHBondContact O-N 3.2Å; R635-T637 VanDerWaalsContact C-N 3.32Å; R635-T637 PolarHBondContact O-N 3.33Å; R635-F638 WeakPolarHBondContact O-CB 3.37Å; R635-F638 PolarHBondContact O-N 2.76Å; R635-E639 IonicContact NE-OE1 3.99Å; R635-E639 PolarHBondContact NE-OE1 3.39Å; R635-E639 WeakPolarHBondContact O-CB 3.37Å; R635-E639 WeakPolarHBondContact O-CG 3.39Å; R635-E639 PolarHBondContact O-N 3.25Å; R635-N671 PolarHBondContact NH2-O 2.86Å
636	V	73.2	Confident	74.5	Confident	91 Å²	91	51.1 Å²	51.1	55%	0.552	27%	0.268	S	S	*	.	H	α-helix	trans	-64.3	-39.4	179.5	171.4	0	0	0	0	111	D632 I633 E639 K640	D632-V636 WeakPolarHBondContact O-CB 3.4Å; D632-V636 VanDerWaalsContact O-CG2 3.27Å; D632-V636 WeakPolarHBondContact O-CG2 3.4Å; D632-V636 PolarHBondContact O-N 3.39Å; I633-V636 PolarHBondContact O-N 2.87Å; V636-E639 PolarHBondContact O-N 2.97Å; V636-K640 VanDerWaalsContact O-CB 3.32Å; V636-K640 WeakPolarHBondContact O-CB 3.49Å; V636-K640 PolarHBondContact O-N 3.3Å
637	T	68.7	Low	73.8	Confident	20 Å²	20	56.1 Å²	56.1	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-43.7	177.7	-55.2	0	0	0	0	111.3	V596 I633 E634 R635 K640 N641	V596-T637 HydrophobicContact CB-CG2 4.47Å; V596-T637 HydrophobicContact CG1-CG2 4.4Å; V596-T637 HydrophobicContact CG2-CG2 4.2Å; I633-T637 VanDerWaalsContact O-CB 3.27Å; I633-T637 WeakPolarHBondContact O-CB 3.05Å; I633-T637 PolarHBondContact O-N 3.36Å; I633-T637 PolarHBondContact O-OG1 3.1Å; E634-T637 PolarHBondContact O-N 2.89Å; R635-T637 VanDerWaalsContact C-N 3.32Å; R635-T637 PolarHBondContact O-N 3.33Å; T637-K640 PolarHBondContact O-N 3.46Å; T637-N641 WeakPolarHBondContact O-CB 3.41Å; T637-N641 PolarHBondContact O-N 2.84Å; T637-N641 PolarHBondContact O-ND2 3.46Å
638	F	81.9	Confident	73.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.6	-53.6	172	167.7	-107.9	0	0	0	112	Y599 L622 L623 A626 F627 E634 R635 K640 N641 M642 I675	Y599-F638 HydrophobicContact CD1-CB 3.85Å; Y599-F638 AromaticContact CD1-CD2 3.97Å; Y599-F638 HydrophobicContact CD1-CD2 3.97Å; Y599-F638 HydrophobicContact CD1-CG 4.41Å; Y599-F638 HydrophobicContact CE1-CB 3.51Å; Y599-F638 AromaticContact CE1-CD2 3.54Å; Y599-F638 HydrophobicContact CE1-CD2 3.54Å; Y599-F638 AromaticContact CE1-CG 3.9Å; Y599-F638 HydrophobicContact CE1-CG 3.9Å; L622-F638 HydrophobicContact CB-CD2 3.92Å; L622-F638 HydrophobicContact CB-CE2 3.58Å; L623-F638 HydrophobicContact CD2-CE1 3.68Å; L623-F638 HydrophobicContact CD2-CZ 3.41Å; L623-F638 VanDerWaalsContact CD2-CZ 3.41Å; L623-F638 HydrophobicContact CG-CZ 3.82Å; A626-F638 HydrophobicContact CB-CB 3.77Å; A626-F638 HydrophobicContact CB-CD1 3.66Å; A626-F638 HydrophobicContact CB-CD2 4.34Å; A626-F638 HydrophobicContact CB-CE1 4.36Å; A626-F638 HydrophobicContact CB-CG 3.64Å; F627-F638 HydrophobicContact CE2-CE1 4.19Å; E634-F638 WeakPolarHBondContact O-CB 3.31Å; E634-F638 PolarHBondContact O-N 3.29Å; R635-F638 WeakPolarHBondContact O-CB 3.37Å; R635-F638 PolarHBondContact O-N 2.76Å; F638-K640 VanDerWaalsContact C-N 3.33Å; F638-K640 PolarHBondContact O-N 3.48Å; F638-N641 PolarHBondContact O-N 3.48Å; F638-M642 HydrophobicContact CD2-CG 3.6Å; F638-M642 HydrophobicContact CE1-CG 4.29Å; F638-M642 HydrophobicContact CE2-CB 4.38Å; F638-M642 HydrophobicContact CE2-CG 3.13Å; F638-M642 HydrophobicContact CE2-SD 3.96Å; F638-M642 HydrophobicContact CG-CG 4.38Å; F638-M642 HydrophobicContact CZ-CB 4.46Å; F638-M642 HydrophobicContact CZ-CG 3.52Å; F638-M642 WeakPolarHBondContact O-CB 3.46Å; F638-M642 WeakPolarHBondContact O-CG 3.18Å; F638-M642 PolarHBondContact O-N 3.11Å; F638-I675 HydrophobicContact CD1-CD1 4.12Å; F638-I675 HydrophobicContact CE1-CD1 3.42Å; F638-I675 VanDerWaalsContact CE1-CD1 3.42Å; F638-I675 HydrophobicContact CZ-CD1 3.99Å
639	E	80	Confident	73	Confident	22 Å²	22	56.6 Å²	56.6	10%	0.103	30%	0.301	C	S	.	.	H	α-helix	trans	-57.3	-47.2	-179.2	-75.1	-177.7	-168.1	0	0	110.7	R635 V636 N641 M642 L643 N674 I675	R635-E639 IonicContact NE-OE1 3.99Å; R635-E639 PolarHBondContact NE-OE1 3.39Å; R635-E639 WeakPolarHBondContact O-CB 3.37Å; R635-E639 WeakPolarHBondContact O-CG 3.39Å; R635-E639 PolarHBondContact O-N 3.25Å; V636-E639 PolarHBondContact O-N 2.97Å; E639-N641 PolarHBondContact O-N 2.98Å; E639-M642 PolarHBondContact O-N 3.26Å; E639-L643 VanDerWaalsContact O-CB 3.32Å; E639-L643 WeakPolarHBondContact O-CB 3.45Å; E639-L643 WeakPolarHBondContact O-CG 3.42Å; E639-L643 PolarHBondContact O-N 2.72Å; E639-N674 PolarHBondContact OE2-ND2 2.91Å; E639-I675 HydrophobicContact CB-CG1 4.37Å; E639-I675 HydrophobicContact CG-CD1 4.03Å; E639-I675 HydrophobicContact CG-CG1 4.07Å
640	K	74.2	Confident	73.3	Confident	153 Å²	153	57.8 Å²	57.8	67%	0.665	31%	0.307	S	S	*	.	H	α-helix	trans	-59.7	-45.8	178.9	-175.1	-177.5	176.3	-172.7	0	112.6	V636 T637 F638 S644	V636-K640 VanDerWaalsContact O-CB 3.32Å; V636-K640 WeakPolarHBondContact O-CB 3.49Å; V636-K640 PolarHBondContact O-N 3.3Å; T637-K640 PolarHBondContact O-N 3.46Å; F638-K640 VanDerWaalsContact C-N 3.33Å; F638-K640 PolarHBondContact O-N 3.48Å; K640-S644 PolarHBondContact O-N 2.57Å
641	N	72.7	Confident	74	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-72.1	-42.3	-178.1	-72.2	-21.7	0	0	0	111.8	N600 C603 T637 F638 E639 L643 S644 I645	N600-N641 PolarHBondContact OD1-ND2 3.2Å; N600-N641 PolarHBondContact OD1-OD1 2.87Å; C603-N641 HydrophobicContact CB-CB 4.08Å; C603-N641 VanDerWaalsContact SG-CB 3.57Å; T637-N641 WeakPolarHBondContact O-CB 3.41Å; T637-N641 PolarHBondContact O-N 2.84Å; T637-N641 PolarHBondContact O-ND2 3.46Å; F638-N641 PolarHBondContact O-N 3.48Å; E639-N641 PolarHBondContact O-N 2.98Å; N641-L643 VanDerWaalsContact C-N 3.34Å; N641-L643 PolarHBondContact O-N 3.36Å; N641-S644 WeakPolarHBondContact O-CB 3.41Å; N641-S644 PolarHBondContact O-N 2.92Å; N641-I645 WeakPolarHBondContact O-CG1 3.34Å; N641-I645 PolarHBondContact O-N 2.67Å; N641-I645 VanDerWaalsContact O-N 3.16Å
642	M	81.9	Confident	74.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-39.2	176.3	-76.6	-54.2	-58.2	0	0	112.6	L606 I619 L622 F638 E639 S644 I645 L646 F656 I675	L606-M642 HydrophobicContact CD2-CE 4.3Å; L606-M642 HydrophobicContact CD2-SD 4.22Å; I619-M642 HydrophobicContact CD1-CE 4.32Å; I619-M642 HydrophobicContact CG1-CE 4.08Å; I619-M642 HydrophobicContact CG2-CE 4.26Å; L622-M642 HydrophobicContact CD1-SD 4.34Å; F638-M642 HydrophobicContact CD2-CG 3.6Å; F638-M642 HydrophobicContact CE1-CG 4.29Å; F638-M642 HydrophobicContact CE2-CB 4.38Å; F638-M642 HydrophobicContact CE2-CG 3.13Å; F638-M642 HydrophobicContact CE2-SD 3.96Å; F638-M642 HydrophobicContact CG-CG 4.38Å; F638-M642 HydrophobicContact CZ-CB 4.46Å; F638-M642 HydrophobicContact CZ-CG 3.52Å; F638-M642 WeakPolarHBondContact O-CB 3.46Å; F638-M642 WeakPolarHBondContact O-CG 3.18Å; F638-M642 PolarHBondContact O-N 3.11Å; E639-M642 PolarHBondContact O-N 3.26Å; M642-S644 VanDerWaalsContact C-N 3.26Å; M642-S644 PolarHBondContact O-N 3.14Å; M642-I645 PolarHBondContact O-N 3.25Å; M642-I645 HydrophobicContact SD-CD1 4.22Å; M642-L646 HydrophobicContact CB-CD1 4.41Å; M642-L646 HydrophobicContact CE-CD1 4.15Å; M642-L646 HydrophobicContact CE-CD2 4.05Å; M642-L646 HydrophobicContact CE-CG 4.01Å; M642-L646 WeakPolarHBondContact O-CB 3.11Å; M642-L646 WeakPolarHBondContact O-CD1 3.41Å; M642-L646 WeakPolarHBondContact O-CG 3.5Å; M642-L646 PolarHBondContact O-N 3.41Å; M642-F656 HydrophobicContact CE-CD2 3.97Å; M642-F656 HydrophobicContact CE-CE2 4.28Å; M642-I675 HydrophobicContact CB-CD1 4.15Å
643	L	76.5	Confident	75.3	Confident	46 Å²	46	42.4 Å²	42.4	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-41.7	175	-78.5	173	0	0	0	112	E639 N641 L647 V678	E639-L643 VanDerWaalsContact O-CB 3.32Å; E639-L643 WeakPolarHBondContact O-CB 3.45Å; E639-L643 WeakPolarHBondContact O-CG 3.42Å; E639-L643 PolarHBondContact O-N 2.72Å; N641-L643 VanDerWaalsContact C-N 3.34Å; N641-L643 PolarHBondContact O-N 3.36Å; L643-L647 WeakPolarHBondContact O-CD1 3.49Å; L643-L647 VanDerWaalsContact O-CG 3.29Å; L643-L647 WeakPolarHBondContact O-CG 3.29Å; L643-L647 PolarHBondContact O-N 2.78Å; L643-V678 HydrophobicContact CD2-CB 3.5Å; L643-V678 HydrophobicContact CD2-CG1 3.94Å; L643-V678 HydrophobicContact CD2-CG2 3.36Å
644	S	69.3	Low	76	Confident	74 Å²	74	41.6 Å²	41.6	52%	0.517	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-46	176.3	-167	0	0	0	0	111.7	K640 N641 M642 L647 S648	K640-S644 PolarHBondContact O-N 2.57Å; N641-S644 WeakPolarHBondContact O-CB 3.41Å; N641-S644 PolarHBondContact O-N 2.92Å; M642-S644 VanDerWaalsContact C-N 3.26Å; M642-S644 PolarHBondContact O-N 3.14Å; S644-L647 PolarHBondContact O-N 2.9Å; S644-S648 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-OG 2.78Å
645	I	73.6	Confident	76.8	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-72	-39.8	-175.1	-60	162.6	0	0	0	112.5	C603 L606 E607 N641 M642 L647 S648 S649 C652	C603-I645 HydrophobicContact CB-CD1 3.26Å; C603-I645 HydrophobicContact CB-CG1 4.33Å; C603-I645 VanDerWaalsContact SG-CD1 3.55Å; L606-I645 HydrophobicContact CB-CD1 4.4Å; L606-I645 HydrophobicContact CD2-CD1 4.02Å; L606-I645 HydrophobicContact CD2-CG2 3.97Å; E607-I645 HydrophobicContact CG-CB 4.34Å; E607-I645 HydrophobicContact CG-CG1 3.86Å; E607-I645 HydrophobicContact CG-CG2 3.8Å; N641-I645 WeakPolarHBondContact O-CG1 3.34Å; N641-I645 PolarHBondContact O-N 2.67Å; N641-I645 VanDerWaalsContact O-N 3.16Å; M642-I645 PolarHBondContact O-N 3.25Å; M642-I645 HydrophobicContact SD-CD1 4.22Å; I645-L647 PolarHBondContact O-N 2.86Å; I645-S648 WeakPolarHBondContact CA-OG 3.49Å; I645-S648 PolarHBondContact O-N 3.24Å; I645-S648 VanDerWaalsContact O-N 3.11Å; I645-S648 PolarHBondContact O-OG 3.42Å; I645-S649 WeakPolarHBondContact O-CB 3.3Å; I645-S649 PolarHBondContact O-N 2.75Å; I645-C652 HydrophobicContact CG2-CB 3.8Å
646	L	76.9	Confident	77.4	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-23.7	-179.7	-65.5	167.2	0	0	0	111.9	M642 C652 A653 F656 I675 L679	M642-L646 HydrophobicContact CB-CD1 4.41Å; M642-L646 HydrophobicContact CE-CD1 4.15Å; M642-L646 HydrophobicContact CE-CD2 4.05Å; M642-L646 HydrophobicContact CE-CG 4.01Å; M642-L646 WeakPolarHBondContact O-CB 3.11Å; M642-L646 WeakPolarHBondContact O-CD1 3.41Å; M642-L646 WeakPolarHBondContact O-CG 3.5Å; M642-L646 PolarHBondContact O-N 3.41Å; L646-C652 HydrophobicContact CD2-CB 4.2Å; L646-C652 WeakPolarHBondContact CD2-O 2.89Å; L646-A653 HydrophobicContact CD2-CB 4.32Å; L646-F656 HydrophobicContact CD1-CD2 3.97Å; L646-F656 HydrophobicContact CD1-CE2 4.24Å; L646-F656 HydrophobicContact CD1-CG 4.23Å; L646-F656 HydrophobicContact CD2-CB 3.79Å; L646-F656 HydrophobicContact CD2-CD2 4.1Å; L646-F656 HydrophobicContact CD2-CG 4.09Å; L646-I675 HydrophobicContact CD1-CG2 3.14Å; L646-L679 HydrophobicContact CB-CD2 4.37Å; L646-L679 HydrophobicContact CD1-CD2 4.05Å; L646-L679 HydrophobicContact CD2-CD2 4.12Å; L646-L679 HydrophobicContact CG-CD2 4.42Å
647	L	67.7	Low	78.1	Confident	107 Å²	107	33.8 Å²	33.8	56%	0.56	19%	0.186	S	C	*	.	H	α-helix	trans	-78.8	-33.4	171	-72.7	173.2	0	0	0	112.7	L643 S644 I645 V678	L643-L647 WeakPolarHBondContact O-CD1 3.49Å; L643-L647 VanDerWaalsContact O-CG 3.29Å; L643-L647 WeakPolarHBondContact O-CG 3.29Å; L643-L647 PolarHBondContact O-N 2.78Å; S644-L647 PolarHBondContact O-N 2.9Å; I645-L647 PolarHBondContact O-N 2.86Å; L647-V678 HydrophobicContact CD1-CG1 3.74Å; L647-V678 HydrophobicContact CD2-CG1 3.46Å; L647-V678 VanDerWaalsContact CD2-CG1 3.46Å; L647-V678 HydrophobicContact CG-CG1 3.56Å
648	S	65.9	Low	79.1	Confident	70 Å²	70	33.9 Å²	33.9	49%	0.49	19%	0.187	S	C	.	.	H	α-helix	trans	-90.8	-26.3	-176.1	64.2	0	0	0	0	114.1	E607 S644 I645	E607-S648 PolarHBondContact OE1-OG 2.87Å; S644-S648 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-OG 2.78Å; I645-S648 WeakPolarHBondContact CA-OG 3.49Å; I645-S648 PolarHBondContact O-N 3.24Å; I645-S648 VanDerWaalsContact O-N 3.11Å; I645-S648 PolarHBondContact O-OG 3.42Å
649	S	75.1	Confident	79.5	Confident	17 Å²	17	34 Å²	34	12%	0.119	19%	0.188	C	C	.	.			trans	-125.2	107.7	-170.3	156.2	0	0	0	0	112.2	I645 L651 C652 A653	I645-S649 WeakPolarHBondContact O-CB 3.3Å; I645-S649 PolarHBondContact O-N 2.75Å; S649-L651 VanDerWaalsContact C-N 3.3Å; S649-L651 PolarHBondContact O-N 2.81Å; S649-C652 PolarHBondContact O-N 3.3Å; S649-C652 WeakPolarHBondContact OG-CB 3.15Å; S649-C652 PolarHBondContact OG-N 2.85Å; S649-C652 VanDerWaalsContact OG-N 3.12Å; S649-C652 PolarHBondContact OG-SG 3.25Å; S649-A653 PolarHBondContact O-N 2.96Å; S649-A653 VanDerWaalsContact O-N 3.14Å
650	P	79.5	Confident	79.9	Confident	63 Å²	63	32.9 Å²	32.9	41%	0.409	18%	0.183	S	C	.	.	H	α-helix	trans	-53	-44	173.6	-25.3	32.1	0	0	0	113.4	C652 A653 E654 H683	P650-C652 PolarHBondContact O-N 3.44Å; P650-A653 WeakPolarHBondContact O-CB 3Å; P650-A653 PolarHBondContact O-N 2.99Å; P650-A653 VanDerWaalsContact O-N 3.12Å; P650-E654 WeakPolarHBondContact O-CB 3.12Å; P650-E654 WeakPolarHBondContact O-CG 3.21Å; P650-E654 PolarHBondContact O-N 3.27Å; P650-H683 WeakPolarHBondContact CB-NE2 3.48Å; P650-H683 WeakPolarHBondContact CG-NE2 3.48Å
651	L	82	Confident	80.6	Confident	41 Å²	41	26.8 Å²	26.8	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-45	-178.6	-179.4	61.5	0	0	0	111.9	P612 V615 S649 E654 Q655	P612-L651 HydrophobicContact CB-CD1 4.08Å; P612-L651 HydrophobicContact CG-CD1 4Å; V615-L651 HydrophobicContact CG2-CD2 3.88Å; V615-L651 HydrophobicContact CG2-CG 4.22Å; S649-L651 VanDerWaalsContact C-N 3.3Å; S649-L651 PolarHBondContact O-N 2.81Å; L651-E654 WeakPolarHBondContact O-CB 3.39Å; L651-E654 PolarHBondContact O-N 3.28Å; L651-Q655 HydrophobicContact CD1-CG 4.25Å; L651-Q655 WeakPolarHBondContact O-CG 3.41Å; L651-Q655 PolarHBondContact O-N 3.35Å
652	C	84.5	Confident	81.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-42.4	174.2	-66.3	0	0	0	0	112.4	L606 V615 I619 I645 L646 S649 P650 E654 Q655 F656	L606-C652 HydrophobicContact CD2-CB 4.29Å; L606-C652 WeakPolarHBondContact CD2-SG 3.28Å; V615-C652 HydrophobicContact CG1-CB 4.47Å; I619-C652 HydrophobicContact CD1-CB 4.38Å; I645-C652 HydrophobicContact CG2-CB 3.8Å; L646-C652 HydrophobicContact CD2-CB 4.2Å; L646-C652 WeakPolarHBondContact CD2-O 2.89Å; S649-C652 PolarHBondContact O-N 3.3Å; S649-C652 WeakPolarHBondContact OG-CB 3.15Å; S649-C652 PolarHBondContact OG-N 2.85Å; S649-C652 VanDerWaalsContact OG-N 3.12Å; S649-C652 PolarHBondContact OG-SG 3.25Å; P650-C652 PolarHBondContact O-N 3.44Å; C652-E654 VanDerWaalsContact C-N 3.32Å; C652-E654 PolarHBondContact O-N 3.16Å; C652-Q655 PolarHBondContact O-N 3.44Å; C652-F656 WeakPolarHBondContact O-CB 3.23Å; C652-F656 PolarHBondContact O-N 3.01Å
653	A	82.7	Confident	81.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-42.9	175.9	0	0	0	0	0	111.7	L646 S649 P650 F656 L679 H683	L646-A653 HydrophobicContact CD2-CB 4.32Å; S649-A653 PolarHBondContact O-N 2.96Å; S649-A653 VanDerWaalsContact O-N 3.14Å; P650-A653 WeakPolarHBondContact O-CB 3Å; P650-A653 PolarHBondContact O-N 2.99Å; P650-A653 VanDerWaalsContact O-N 3.12Å; A653-F656 PolarHBondContact O-N 3.16Å; A653-L679 HydrophobicContact CB-CD2 4.34Å; A653-H683 HydrophobicContact CB-CB 3.8Å
654	E	82.6	Confident	82.1	Confident	56 Å²	56	26 Å²	26	26%	0.262	15%	0.152	S	C	.	.	H	α-helix	trans	-63.8	-39	176.6	-78.3	178.1	-161.4	0	0	113.7	P650 L651 C652 P658 N687 T690	P650-E654 WeakPolarHBondContact O-CB 3.12Å; P650-E654 WeakPolarHBondContact O-CG 3.21Å; P650-E654 PolarHBondContact O-N 3.27Å; L651-E654 WeakPolarHBondContact O-CB 3.39Å; L651-E654 PolarHBondContact O-N 3.28Å; C652-E654 VanDerWaalsContact C-N 3.32Å; C652-E654 PolarHBondContact O-N 3.16Å; E654-P658 WeakPolarHBondContact O-CD 3.3Å; E654-N687 WeakPolarHBondContact CA-ND2 3.36Å; E654-N687 WeakPolarHBondContact CB-ND2 3.3Å; E654-N687 HydrophobicContact CG-CB 4.29Å; E654-N687 WeakPolarHBondContact CG-ND2 3.17Å; E654-N687 PolarHBondContact O-ND2 3.02Å; E654-T690 PolarHBondContact O-OG1 2.85Å
655	Q	87.7	Confident	82.8	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-86.1	-9.9	-178.4	-61.6	-42.7	-60.9	0	0	113.7	P612 V615 I619 L651 C652 P658 A659	P612-Q655 HydrophobicContact CB-CG 4.31Å; P612-Q655 WeakPolarHBondContact O-CG 3.49Å; V615-Q655 HydrophobicContact CB-CG 4.19Å; V615-Q655 HydrophobicContact CG1-CB 3.9Å; V615-Q655 HydrophobicContact CG1-CG 3.97Å; I619-Q655 HydrophobicContact CD1-CB 4.22Å; L651-Q655 HydrophobicContact CD1-CG 4.25Å; L651-Q655 WeakPolarHBondContact O-CG 3.41Å; L651-Q655 PolarHBondContact O-N 3.35Å; C652-Q655 PolarHBondContact O-N 3.44Å; Q655-P658 WeakPolarHBondContact O-CD 3.08Å; Q655-A659 WeakPolarHBondContact O-CB 3.37Å; Q655-A659 PolarHBondContact O-N 2.65Å; Q655-A659 VanDerWaalsContact O-N 3.14Å
656	F	89.5	Confident	83.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-47.3	-177.6	-174.3	-95.5	0	0	0	113.1	I619 L623 M642 L646 C652 A653 A659 M660 C672 I675 I676 L679	I619-F656 HydrophobicContact CG2-CD2 3.72Å; I619-F656 HydrophobicContact CG2-CE2 4.24Å; L623-F656 HydrophobicContact CD2-CE2 4.23Å; L623-F656 HydrophobicContact CD2-CZ 4.37Å; M642-F656 HydrophobicContact CE-CD2 3.97Å; M642-F656 HydrophobicContact CE-CE2 4.28Å; L646-F656 HydrophobicContact CD1-CD2 3.97Å; L646-F656 HydrophobicContact CD1-CE2 4.24Å; L646-F656 HydrophobicContact CD1-CG 4.23Å; L646-F656 HydrophobicContact CD2-CB 3.79Å; L646-F656 HydrophobicContact CD2-CD2 4.1Å; L646-F656 HydrophobicContact CD2-CG 4.09Å; C652-F656 WeakPolarHBondContact O-CB 3.23Å; C652-F656 PolarHBondContact O-N 3.01Å; A653-F656 PolarHBondContact O-N 3.16Å; F656-A659 PolarHBondContact O-N 3.04Å; F656-M660 HydrophobicContact CE1-CB 4.41Å; F656-M660 VanDerWaalsContact O-CB 3.31Å; F656-M660 WeakPolarHBondContact O-CB 3.43Å; F656-M660 PolarHBondContact O-N 3.37Å; F656-C672 HydrophobicContact CZ-CB 4.24Å; F656-I675 HydrophobicContact CD2-CG2 4.47Å; F656-I675 HydrophobicContact CE1-CG2 3.92Å; F656-I675 HydrophobicContact CE2-CD1 4.3Å; F656-I675 HydrophobicContact CE2-CG2 3.75Å; F656-I675 HydrophobicContact CZ-CB 3.97Å; F656-I675 HydrophobicContact CZ-CD1 4.14Å; F656-I675 HydrophobicContact CZ-CG2 3.43Å; F656-I675 VanDerWaalsContact CZ-CG2 3.43Å; F656-I676 HydrophobicContact CE1-CG1 4.12Å; F656-L679 HydrophobicContact CB-CD2 4.44Å; F656-L679 HydrophobicContact CD1-CD1 4.03Å; F656-L679 HydrophobicContact CD1-CD2 4.28Å
657	I	88.3	Confident	83.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-45.5	-179.6	-60.8	-62.8	0	0	0	112.2	A659 M660 D661 L679 L684 T690 I693 L694 W697 I713	I657-A659 VanDerWaalsContact C-N 3.35Å; I657-A659 PolarHBondContact O-N 3.26Å; I657-M660 PolarHBondContact O-N 3.49Å; I657-D661 PolarHBondContact O-N 2.88Å; I657-L679 HydrophobicContact CD1-CD1 3.74Å; I657-L679 HydrophobicContact CG1-CD1 4.28Å; I657-L684 HydrophobicContact CG1-CD2 3.93Å; I657-T690 HydrophobicContact CB-CG2 3.7Å; I657-T690 HydrophobicContact CG1-CG2 3.71Å; I657-T690 HydrophobicContact CG2-CG2 3.84Å; I657-I693 HydrophobicContact CG2-CB 4.24Å; I657-I693 HydrophobicContact CG2-CG2 3.9Å; I657-L694 HydrophobicContact CG2-CD2 4.33Å; I657-W697 HydrophobicContact CG2-CH2 4.05Å; I657-W697 HydrophobicContact CG2-CZ2 4.48Å; I657-W697 HydrophobicContact CG2-CZ3 4.46Å; I657-I713 HydrophobicContact CD1-CD1 3.59Å
658	P	88.6	Confident	83.9	Confident	23 Å²	23	32.6 Å²	32.6	15%	0.149	17%	0.174	C	C	.	.	H	α-helix	trans	-56.2	-44	171	-26.8	34.3	0	0	0	114.1	E654 Q655 M660 D661 E662 K689 I693	E654-P658 WeakPolarHBondContact O-CD 3.3Å; Q655-P658 WeakPolarHBondContact O-CD 3.08Å; P658-M660 VanDerWaalsContact C-N 3.33Å; P658-M660 PolarHBondContact O-N 3.19Å; P658-D661 PolarHBondContact O-N 3.46Å; P658-E662 PolarHBondContact O-N 3.5Å; P658-K689 HydrophobicContact CG-CB 4.39Å; P658-I693 HydrophobicContact CB-CD1 4.08Å; P658-I693 HydrophobicContact CG-CD1 4.04Å
659	A	89.4	Confident	84.5	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-37.8	177	0	0	0	0	0	111.8	I619 L620 L623 Q655 F656 I657 E662 C663	I619-A659 HydrophobicContact CB-CB 3.97Å; I619-A659 HydrophobicContact CG2-CB 3.67Å; L620-A659 HydrophobicContact CB-CB 4.12Å; L620-A659 WeakPolarHBondContact CD1-O 3.19Å; L623-A659 HydrophobicContact CD1-CB 4.15Å; Q655-A659 WeakPolarHBondContact O-CB 3.37Å; Q655-A659 PolarHBondContact O-N 2.65Å; Q655-A659 VanDerWaalsContact O-N 3.14Å; F656-A659 PolarHBondContact O-N 3.04Å; I657-A659 VanDerWaalsContact C-N 3.35Å; I657-A659 PolarHBondContact O-N 3.26Å; A659-E662 PolarHBondContact O-N 3.16Å; A659-C663 WeakPolarHBondContact O-CB 3.34Å; A659-C663 PolarHBondContact O-N 3.03Å
660	M	89	Confident	84.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.7	-36.6	178	-173	59.9	-178.3	0	0	112.5	L623 F656 I657 P658 E662 C663 L664 C672 W697 L709	L623-M660 HydrophobicContact CD1-CB 4.46Å; L623-M660 HydrophobicContact CD1-SD 4.28Å; L623-M660 HydrophobicContact CD2-SD 4.18Å; F656-M660 HydrophobicContact CE1-CB 4.41Å; F656-M660 VanDerWaalsContact O-CB 3.31Å; F656-M660 WeakPolarHBondContact O-CB 3.43Å; F656-M660 PolarHBondContact O-N 3.37Å; I657-M660 PolarHBondContact O-N 3.49Å; P658-M660 VanDerWaalsContact C-N 3.33Å; P658-M660 PolarHBondContact O-N 3.19Å; M660-E662 VanDerWaalsContact C-N 3.33Å; M660-E662 PolarHBondContact O-N 3.42Å; M660-C663 WeakPolarHBondContact O-CB 2.87Å; M660-C663 PolarHBondContact O-N 2.87Å; M660-C663 HydrophobicContact SD-CB 4.35Å; M660-L664 HydrophobicContact CE-CD1 3.93Å; M660-L664 HydrophobicContact CE-CD2 3.76Å; M660-L664 HydrophobicContact CE-CG 3.71Å; M660-L664 HydrophobicContact CG-CD1 4.04Å; M660-L664 HydrophobicContact CG-CG 4.33Å; M660-L664 WeakPolarHBondContact O-CB 3.07Å; M660-L664 WeakPolarHBondContact O-CG 3.26Å; M660-L664 PolarHBondContact O-N 3.26Å; M660-L664 HydrophobicContact SD-CG 4.33Å; M660-C672 HydrophobicContact CE-CB 3.61Å; M660-C672 WeakPolarHBondContact CE-SG 3.35Å; M660-C672 HydrophobicContact SD-CB 4.05Å; M660-C672 PolarHBondContact SD-SG 3.16Å; M660-W697 HydrophobicContact CB-CH2 4.24Å; M660-W697 HydrophobicContact CG-CH2 4.02Å; M660-L709 HydrophobicContact CE-CD1 3.95Å
661	D	89.9	Confident	84.6	Confident	24 Å²	24	33 Å²	33	13%	0.128	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-47.2	173.3	-176	56.5	0	0	0	111.4	I657 P658 C663 L664 K665 I693 W697	I657-D661 PolarHBondContact O-N 2.88Å; P658-D661 PolarHBondContact O-N 3.46Å; D661-C663 VanDerWaalsContact C-N 3.32Å; D661-C663 PolarHBondContact O-N 2.98Å; D661-L664 PolarHBondContact O-N 3.26Å; D661-K665 VanDerWaalsContact O-CG 3.3Å; D661-K665 WeakPolarHBondContact O-CG 3.3Å; D661-K665 PolarHBondContact O-N 3.35Å; D661-K665 WeakPolarHBondContact OD2-CE 3.47Å; D661-K665 IonicContact OD2-NZ 3.29Å; D661-K665 PolarHBondContact OD2-NZ 3.3Å; D661-I693 HydrophobicContact CB-CD1 4.32Å; D661-I693 HydrophobicContact CB-CG2 3.76Å; D661-W697 HydrophobicContact CB-CZ2 3.74Å; D661-W697 PolarHBondContact OD1-NE1 3.07Å
662	E	87.6	Confident	84.3	Confident	57 Å²	57	31.1 Å²	31.1	27%	0.266	16%	0.162	S	C	.	.	H	α-helix	trans	-66.6	-35.8	177	-168	61.9	-164.9	0	0	112.1	L620 P658 A659 M660 K665 R666	L620-E662 HydrophobicContact CD1-CB 4.01Å; L620-E662 HydrophobicContact CD1-CG 4.12Å; L620-E662 HydrophobicContact CD2-CB 4.16Å; L620-E662 HydrophobicContact CD2-CG 3.69Å; P658-E662 PolarHBondContact O-N 3.5Å; A659-E662 PolarHBondContact O-N 3.16Å; M660-E662 VanDerWaalsContact C-N 3.33Å; M660-E662 PolarHBondContact O-N 3.42Å; E662-K665 IonicContact OE2-NZ 2.6Å; E662-R666 WeakPolarHBondContact O-CG 3.33Å; E662-R666 IonicContact OE1-CZ 3.81Å; E662-R666 IonicContact OE1-NE 3.08Å; E662-R666 PolarHBondContact OE1-NE 3.14Å; E662-R666 VanDerWaalsContact OE1-NE 3.16Å; E662-R666 IonicContact OE1-NH2 3.97Å; E662-R666 PolarHBondContact OE1-NH2 2.89Å
663	C	87.4	Confident	83.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-47.7	173.3	-173.9	0	0	0	0	111.8	L620 L623 L624 A659 M660 D661 K665 R666 M667	L620-C663 HydrophobicContact CD1-CB 4.04Å; L623-C663 HydrophobicContact CB-CB 4.23Å; L623-C663 HydrophobicContact CD1-CB 4.15Å; L624-C663 HydrophobicContact CD2-CB 4.47Å; A659-C663 WeakPolarHBondContact O-CB 3.34Å; A659-C663 PolarHBondContact O-N 3.03Å; M660-C663 WeakPolarHBondContact O-CB 2.87Å; M660-C663 PolarHBondContact O-N 2.87Å; M660-C663 HydrophobicContact SD-CB 4.35Å; D661-C663 VanDerWaalsContact C-N 3.32Å; D661-C663 PolarHBondContact O-N 2.98Å; C663-K665 VanDerWaalsContact C-N 3.34Å; C663-K665 PolarHBondContact O-N 2.82Å; C663-R666 PolarHBondContact O-N 2.6Å; C663-R666 VanDerWaalsContact O-N 3.09Å; C663-M667 PolarHBondContact O-N 3.41Å
664	L	86.5	Confident	83	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-33.7	-178.1	-75.8	169	0	0	0	112.9	M660 D661 R666 M667 A670 W697 Q706 L709	M660-L664 HydrophobicContact CE-CD1 3.93Å; M660-L664 HydrophobicContact CE-CD2 3.76Å; M660-L664 HydrophobicContact CE-CG 3.71Å; M660-L664 HydrophobicContact CG-CD1 4.04Å; M660-L664 HydrophobicContact CG-CG 4.33Å; M660-L664 WeakPolarHBondContact O-CB 3.07Å; M660-L664 WeakPolarHBondContact O-CG 3.26Å; M660-L664 PolarHBondContact O-N 3.26Å; M660-L664 HydrophobicContact SD-CG 4.33Å; D661-L664 PolarHBondContact O-N 3.26Å; L664-R666 PolarHBondContact O-N 2.84Å; L664-M667 CarbonylContact O-C 3.58Å; L664-A670 HydrophobicContact CD2-CB 4.39Å; L664-W697 HydrophobicContact CD1-CH2 4.04Å; L664-W697 HydrophobicContact CD1-CZ2 3.9Å; L664-Q706 HydrophobicContact CD1-CG 4.33Å; L664-L709 HydrophobicContact CD1-CD1 3.78Å; L664-L709 HydrophobicContact CD2-CD1 4.4Å
665	K	85.3	Confident	82.7	Confident	128 Å²	128	33 Å²	33	56%	0.557	18%	0.176	S	C	*	.	H	α-helix	trans	-59.7	-30.5	172.3	-76.8	166.2	176.2	164.4	0	112.4	D661 E662 C663	D661-K665 VanDerWaalsContact O-CG 3.3Å; D661-K665 WeakPolarHBondContact O-CG 3.3Å; D661-K665 PolarHBondContact O-N 3.35Å; D661-K665 WeakPolarHBondContact OD2-CE 3.47Å; D661-K665 IonicContact OD2-NZ 3.29Å; D661-K665 PolarHBondContact OD2-NZ 3.3Å; E662-K665 IonicContact OE2-NZ 2.6Å; C663-K665 VanDerWaalsContact C-N 3.34Å; C663-K665 PolarHBondContact O-N 2.82Å
666	R	81.2	Confident	82	Confident	77 Å²	77	33 Å²	33	29%	0.291	18%	0.176	S	C	.	.	H	α-helix	trans	-98.5	-38.2	-176.8	-64.3	174.6	-174.1	-176.1	-2.6	113.1	R583 L624 E662 C663 L664	R583-R666 VanDerWaalsContact CA-NH1 3.26Å; R583-R666 VanDerWaalsContact CD-NH2 3.32Å; L624-R666 HydrophobicContact CD2-CB 4.33Å; E662-R666 WeakPolarHBondContact O-CG 3.33Å; E662-R666 IonicContact OE1-CZ 3.81Å; E662-R666 IonicContact OE1-NE 3.08Å; E662-R666 PolarHBondContact OE1-NE 3.14Å; E662-R666 VanDerWaalsContact OE1-NE 3.16Å; E662-R666 IonicContact OE1-NH2 3.97Å; E662-R666 PolarHBondContact OE1-NH2 2.89Å; C663-R666 PolarHBondContact O-N 2.6Å; C663-R666 VanDerWaalsContact O-N 3.09Å; L664-R666 PolarHBondContact O-N 2.84Å
667	M	82	Confident	80.8	Confident	36 Å²	36	35.5 Å²	35.5	18%	0.177	19%	0.19	C	C	.	.			trans	-124.9	82.8	178.3	-63.2	-166.7	-147.1	0	0	109.6	L624 F627 C663 L664 S669 A670	L624-M667 HydrophobicContact CB-CE 3.9Å; L624-M667 HydrophobicContact CD2-CE 3.59Å; L624-M667 HydrophobicContact CG-CE 4.33Å; L624-M667 VanDerWaalsContact O-CE 3.28Å; L624-M667 WeakPolarHBondContact O-CE 3.33Å; F627-M667 HydrophobicContact CB-SD 3.94Å; C663-M667 PolarHBondContact O-N 3.41Å; L664-M667 CarbonylContact O-C 3.58Å; M667-S669 PolarHBondContact O-N 3.44Å; M667-A670 HydrophobicContact CB-CB 4.23Å; M667-A670 WeakPolarHBondContact O-CB 3.29Å; M667-A670 PolarHBondContact O-N 3.29Å
668	P	78.3	Confident	79.8	Confident	82 Å²	82	37.8 Å²	37.8	53%	0.532	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.3	173.7	-22.9	33.5	0	0	0	113	K705	P668-K705 WeakPolarHBondContact O-CD 3.37Å; P668-K705 PolarHBondContact O-NZ 2.77Å
669	S	77.4	Confident	78.8	Confident	84 Å²	84	37.6 Å²	37.6	59%	0.587	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-25.2	174.6	53.7	0	0	0	0	113.6	M667 K705	M667-S669 PolarHBondContact O-N 3.44Å; S669-K705 VanDerWaalsContact C-NZ 3.31Å; S669-K705 VanDerWaalsContact CA-NZ 3.28Å; S669-K705 PolarHBondContact O-NZ 3.23Å
670	A	79.9	Confident	77.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.008	22%	0.215	C	C	.	.			trans	-56.9	137.7	-174.2	0	0	0	0	0	112.2	F627 L664 M667	F627-A670 HydrophobicContact CB-CB 4.13Å; F627-A670 HydrophobicContact CD1-CB 3.87Å; F627-A670 HydrophobicContact CD2-CB 3.98Å; F627-A670 HydrophobicContact CE1-CB 4.31Å; F627-A670 HydrophobicContact CE2-CB 4.46Å; F627-A670 HydrophobicContact CG-CB 3.7Å; L664-A670 HydrophobicContact CD2-CB 4.39Å; M667-A670 HydrophobicContact CB-CB 4.23Å; M667-A670 WeakPolarHBondContact O-CB 3.29Å; M667-A670 PolarHBondContact O-N 3.29Å
671	N	77.6	Confident	76.4	Confident	75 Å²	75	40.2 Å²	40.2	40%	0.401	22%	0.218	S	C	.	.			trans	-136.6	104.7	-179.4	175.6	10.5	0	0	0	110.2	F627 R635 A673	F627-N671 VanDerWaalsContact CE1-N 3.32Å; F627-N671 WeakPolarHBondContact CE1-O 3.25Å; F627-N671 WeakPolarHBondContact CZ-O 3.14Å; R635-N671 PolarHBondContact NH2-O 2.86Å; N671-A673 WeakPolarHBondContact OD1-CB 3.31Å; N671-A673 PolarHBondContact OD1-N 3.38Å
672	C	75.4	Confident	75	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.			trans	-104.6	25.3	178	-61.7	0	0	0	0	112.8	L623 F627 F656 M660 N674 I675 I676	L623-C672 VanDerWaalsContact CD2-SG 3.58Å; F627-C672 WeakPolarHBondContact CE2-SG 3.4Å; F627-C672 WeakPolarHBondContact CZ-SG 3.49Å; F656-C672 HydrophobicContact CZ-CB 4.24Å; M660-C672 HydrophobicContact CE-CB 3.61Å; M660-C672 WeakPolarHBondContact CE-SG 3.35Å; M660-C672 HydrophobicContact SD-CB 4.05Å; M660-C672 PolarHBondContact SD-SG 3.16Å; C672-N674 PolarHBondContact O-N 3.21Å; C672-N674 VanDerWaalsContact O-N 3.12Å; C672-I675 HydrophobicContact CB-CB 4.45Å; C672-I675 PolarHBondContact O-N 3.41Å; C672-I676 HydrophobicContact CB-CD1 4.26Å; C672-I676 PolarHBondContact O-N 3.1Å
673	A	70.3	Confident	74	Confident	12 Å²	12	44.3 Å²	44.3	10%	0.099	24%	0.236	C	C	.	.	H	α-helix	trans	-53.6	-36.8	-175.1	0	0	0	0	0	113	N671 N677	N671-A673 WeakPolarHBondContact OD1-CB 3.31Å; N671-A673 PolarHBondContact OD1-N 3.38Å; A673-N677 PolarHBondContact O-N 3.38Å; A673-N677 PolarHBondContact O-ND2 2.83Å; A673-N677 PolarHBondContact O-OD1 3.45Å
674	N	69	Low	73	Confident	84 Å²	84	44.6 Å²	44.6	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-45.8	177.9	-69.4	-17.8	0	0	0	112.5	E639 C672	E639-N674 PolarHBondContact OE2-ND2 2.91Å; C672-N674 PolarHBondContact O-N 3.21Å; C672-N674 VanDerWaalsContact O-N 3.12Å
675	I	75.6	Confident	71.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-42.9	-179.2	-57.8	178.3	0	0	0	110.5	F638 E639 M642 L646 F656 C672 N677 V678	F638-I675 HydrophobicContact CD1-CD1 4.12Å; F638-I675 HydrophobicContact CE1-CD1 3.42Å; F638-I675 VanDerWaalsContact CE1-CD1 3.42Å; F638-I675 HydrophobicContact CZ-CD1 3.99Å; E639-I675 HydrophobicContact CB-CG1 4.37Å; E639-I675 HydrophobicContact CG-CD1 4.03Å; E639-I675 HydrophobicContact CG-CG1 4.07Å; M642-I675 HydrophobicContact CB-CD1 4.15Å; L646-I675 HydrophobicContact CD1-CG2 3.14Å; F656-I675 HydrophobicContact CD2-CG2 4.47Å; F656-I675 HydrophobicContact CE1-CG2 3.92Å; F656-I675 HydrophobicContact CE2-CD1 4.3Å; F656-I675 HydrophobicContact CE2-CG2 3.75Å; F656-I675 HydrophobicContact CZ-CB 3.97Å; F656-I675 HydrophobicContact CZ-CD1 4.14Å; F656-I675 HydrophobicContact CZ-CG2 3.43Å; F656-I675 VanDerWaalsContact CZ-CG2 3.43Å; C672-I675 HydrophobicContact CB-CB 4.45Å; C672-I675 PolarHBondContact O-N 3.41Å; I675-N677 VanDerWaalsContact C-N 3.26Å; I675-N677 PolarHBondContact O-N 3.44Å; I675-V678 PolarHBondContact O-N 3.14Å; I675-V678 VanDerWaalsContact O-N 3.13Å
676	I	73.3	Confident	70.4	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-34.1	-177.9	-79.2	169.2	0	0	0	112.5	F656 C672 V678 L679 L709 I713	F656-I676 HydrophobicContact CE1-CG1 4.12Å; C672-I676 HydrophobicContact CB-CD1 4.26Å; C672-I676 PolarHBondContact O-N 3.1Å; I676-V678 PolarHBondContact O-N 2.9Å; I676-V678 VanDerWaalsContact O-N 3.1Å; I676-L679 HydrophobicContact CG1-CD1 4.32Å; I676-L679 PolarHBondContact O-N 3.41Å; I676-L709 HydrophobicContact CD1-CB 4.14Å; I676-L709 HydrophobicContact CD1-CD1 3.97Å; I676-L709 HydrophobicContact CD1-CD2 3.61Å; I676-L709 HydrophobicContact CD1-CG 4.1Å; I676-I713 HydrophobicContact CD1-CD1 4.47Å; I676-I713 HydrophobicContact CG1-CD1 4.47Å; I676-I713 HydrophobicContact CG2-CD1 3.87Å; I676-I713 HydrophobicContact CG2-CG1 3.31Å
677	N	65.5	Low	69.7	Low	53 Å²	53	45.3 Å²	45.3	28%	0.283	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14	178.8	-63.2	-33.8	0	0	0	114.6	A673 I675 R712	A673-N677 PolarHBondContact O-N 3.38Å; A673-N677 PolarHBondContact O-ND2 2.83Å; A673-N677 PolarHBondContact O-OD1 3.45Å; I675-N677 VanDerWaalsContact C-N 3.26Å; I675-N677 PolarHBondContact O-N 3.44Å; N677-R712 PolarHBondContact ND2-NH2 3.02Å; N677-R712 VanDerWaalsContact OD1-CZ 3.24Å; N677-R712 PolarHBondContact OD1-NE 3.49Å; N677-R712 PolarHBondContact OD1-NH2 2.8Å; N677-R712 VanDerWaalsContact OD1-NH2 3.09Å
678	V	66	Low	69.1	Low	48 Å²	48	50.8 Å²	50.8	29%	0.291	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-3.3	-171.8	-174.1	0	0	0	0	111.6	L643 L647 I675 I676 S680	L643-V678 HydrophobicContact CD2-CB 3.5Å; L643-V678 HydrophobicContact CD2-CG1 3.94Å; L643-V678 HydrophobicContact CD2-CG2 3.36Å; L647-V678 HydrophobicContact CD1-CG1 3.74Å; L647-V678 HydrophobicContact CD2-CG1 3.46Å; L647-V678 VanDerWaalsContact CD2-CG1 3.46Å; L647-V678 HydrophobicContact CG-CG1 3.56Å; I675-V678 PolarHBondContact O-N 3.14Å; I675-V678 VanDerWaalsContact O-N 3.13Å; I676-V678 PolarHBondContact O-N 2.9Å; I676-V678 VanDerWaalsContact O-N 3.1Å; V678-S680 PolarHBondContact O-N 3.31Å
679	L	68.3	Low	69.1	Low	18 Å²	18	52 Å²	52	9%	0.094	27%	0.274	C	S	.	.			trans	-65.3	120.4	175.8	-67.9	171	0	0	0	110.3	L646 A653 F656 I657 I676 L684	L646-L679 HydrophobicContact CB-CD2 4.37Å; L646-L679 HydrophobicContact CD1-CD2 4.05Å; L646-L679 HydrophobicContact CD2-CD2 4.12Å; L646-L679 HydrophobicContact CG-CD2 4.42Å; A653-L679 HydrophobicContact CB-CD2 4.34Å; F656-L679 HydrophobicContact CB-CD2 4.44Å; F656-L679 HydrophobicContact CD1-CD1 4.03Å; F656-L679 HydrophobicContact CD1-CD2 4.28Å; I657-L679 HydrophobicContact CD1-CD1 3.74Å; I657-L679 HydrophobicContact CG1-CD1 4.28Å; I676-L679 HydrophobicContact CG1-CD1 4.32Å; I676-L679 PolarHBondContact O-N 3.41Å; L679-L684 HydrophobicContact CB-CD1 3.98Å
680	S	65.2	Low	69.2	Low	44 Å²	44	48 Å²	48	31%	0.308	25%	0.246	S	C	.	.			trans	-66.5	133.1	174.7	172	0	0	0	0	111.2	V678 E682 H683 L684	V678-S680 PolarHBondContact O-N 3.31Å; S680-E682 VanDerWaalsContact C-N 3.29Å; S680-E682 PolarHBondContact O-N 3.01Å; S680-E682 PolarHBondContact OG-N 3.18Å; S680-H683 PolarHBondContact O-N 3.07Å; S680-L684 PolarHBondContact O-N 2.87Å
681	F	61.8	Low	69.1	Low	13 Å²	13	48.8 Å²	48.8	6%	0.057	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-38.1	175.3	170.8	-92.7	0	0	0	112.9	H683 L684 R685 L717 H721 L724 F729 L733	F681-H683 PolarHBondContact O-N 2.97Å; F681-L684 PolarHBondContact O-N 3.44Å; F681-R685 HydrophobicContact CD1-CB 4.4Å; F681-R685 HydrophobicContact CE1-CB 4.14Å; F681-R685 VanDerWaalsContact CE1-CD 3.45Å; F681-R685 HydrophobicContact CE1-CG 4.39Å; F681-R685 HydrophobicContact CZ-CB 4.25Å; F681-R685 HydrophobicContact CZ-CG 4.38Å; F681-R685 WeakPolarHBondContact O-CB 3.49Å; F681-R685 PolarHBondContact O-N 3.47Å; F681-L717 HydrophobicContact CB-CD2 4Å; F681-L717 HydrophobicContact CD2-CB 3.85Å; F681-L717 HydrophobicContact CD2-CD1 4.48Å; F681-L717 HydrophobicContact CD2-CD2 3.47Å; F681-L717 VanDerWaalsContact CD2-CD2 3.47Å; F681-L717 HydrophobicContact CD2-CG 4.06Å; F681-L717 HydrophobicContact CE2-CB 4.16Å; F681-L717 HydrophobicContact CE2-CD2 4.43Å; F681-L717 HydrophobicContact CG-CD2 4.19Å; F681-H721 WeakPolarHBondContact CB-NE2 3.37Å; F681-H721 AromaticContact CD1-CD2 3.36Å; F681-H721 WeakPolarHBondContact CD1-CD2 3.44Å; F681-H721 AromaticContact CD1-CE1 3.32Å; F681-H721 WeakPolarHBondContact CD1-CE1 3.37Å; F681-H721 AromaticContact CD1-CG 3.86Å; F681-H721 AromaticContact CD1-ND1 3.83Å; F681-H721 AromaticContact CD1-NE2 3.01Å; F681-H721 WeakPolarHBondContact CD1-NE2 3.48Å; F681-H721 AromaticContact CD2-CD2 3.42Å; F681-H721 VanDerWaalsContact CD2-CD2 3.42Å; F681-H721 WeakPolarHBondContact CD2-CD2 3.07Å; F681-H721 AromaticContact CD2-NE2 3.85Å; F681-H721 AromaticContact CE1-CD2 3.76Å; F681-H721 AromaticContact CE1-CE1 3.76Å; F681-H721 AromaticContact CE1-CG 3.82Å; F681-H721 AromaticContact CE1-ND1 3.81Å; F681-H721 AromaticContact CE1-NE2 3.76Å; F681-H721 AromaticContact CE2-CD2 3.89Å; F681-H721 AromaticContact CG-CD2 3.16Å; F681-H721 WeakPolarHBondContact CG-CD2 3.44Å; F681-H721 AromaticContact CG-CE1 3.86Å; F681-H721 AromaticContact CG-NE2 3.05Å; F681-H721 WeakPolarHBondContact CG-NE2 3.39Å; F681-L724 HydrophobicContact CZ-CD2 4.36Å; F681-F729 HydrophobicContact CE2-CE1 4.11Å; F681-F729 HydrophobicContact CZ-CE1 4.3Å; F681-L733 HydrophobicContact CE2-CD2 4.33Å
682	E	61.9	Low	69.4	Low	133 Å²	133	48.5 Å²	48.5	62%	0.621	25%	0.251	S	S	*	.	H	α-helix	trans	-60	-36.3	-178.5	-67.3	-172.5	161	0	0	111.7	S680	S680-E682 VanDerWaalsContact C-N 3.29Å; S680-E682 PolarHBondContact O-N 3.01Å; S680-E682 PolarHBondContact OG-N 3.18Å
683	H	66.3	Low	69.9	Low	34 Å²	34	49.8 Å²	49.8	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-75.6	-26.9	176.9	-56.4	146.8	0	0	0	113	P650 A653 S680 F681	P650-H683 WeakPolarHBondContact CB-NE2 3.48Å; P650-H683 WeakPolarHBondContact CG-NE2 3.48Å; A653-H683 HydrophobicContact CB-CB 3.8Å; S680-H683 PolarHBondContact O-N 3.07Å; F681-H683 PolarHBondContact O-N 2.97Å
684	L	65.9	Low	70.5	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-85.1	-39	-179.4	-64.6	173.6	0	0	0	112.4	I657 L679 S680 F681 N687 T690 I713 L717	I657-L684 HydrophobicContact CG1-CD2 3.93Å; L679-L684 HydrophobicContact CB-CD1 3.98Å; S680-L684 PolarHBondContact O-N 2.87Å; F681-L684 PolarHBondContact O-N 3.44Å; L684-N687 PolarHBondContact O-N 3.47Å; L684-T690 HydrophobicContact CD2-CG2 3.65Å; L684-I713 HydrophobicContact CD1-CG2 4.01Å; L684-L717 HydrophobicContact CD1-CD2 3.79Å
685	R	59.9	Low	71.1	Confident	68 Å²	68	48 Å²	48	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-42.6	-177.1	174.5	174	173.3	-165.7	2.1	112.6	F681 N687 D727 F729	F681-R685 HydrophobicContact CD1-CB 4.4Å; F681-R685 HydrophobicContact CE1-CB 4.14Å; F681-R685 VanDerWaalsContact CE1-CD 3.45Å; F681-R685 HydrophobicContact CE1-CG 4.39Å; F681-R685 HydrophobicContact CZ-CB 4.25Å; F681-R685 HydrophobicContact CZ-CG 4.38Å; F681-R685 WeakPolarHBondContact O-CB 3.49Å; F681-R685 PolarHBondContact O-N 3.47Å; R685-N687 VanDerWaalsContact C-N 3.28Å; R685-N687 PolarHBondContact O-N 2.95Å; R685-D727 IonicContact CZ-OD2 3.1Å; R685-D727 IonicContact NE-OD2 3.29Å; R685-D727 PolarHBondContact NE-OD2 2.85Å; R685-D727 IonicContact NH2-OD1 2.63Å; R685-D727 IonicContact NH2-OD2 3.72Å; R685-D727 PolarHBondContact NH2-OD2 2.96Å; R685-F729 HydrophobicContact CB-CD1 4.42Å; R685-F729 HydrophobicContact CB-CE1 4.17Å; R685-F729 HydrophobicContact CB-CZ 4.47Å; R685-F729 HydrophobicContact CG-CD1 3.73Å; R685-F729 HydrophobicContact CG-CE1 3.99Å; R685-F729 HydrophobicContact CG-CG 4.11Å
686	L	57.1	Low	71.5	Confident	139 Å²	139	50.6 Å²	50.6	73%	0.728	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-1	-173.2	-64.1	173.5	0	0	0	113.8
687	N	67.1	Low	72.2	Confident	15 Å²	15	50.3 Å²	50.3	8%	0.08	26%	0.26	C	S	.	.			trans	-103.5	107.5	-169.5	-173.2	-13.7	0	0	0	113.3	E654 L684 R685 K689 T690	E654-N687 WeakPolarHBondContact CA-ND2 3.36Å; E654-N687 WeakPolarHBondContact CB-ND2 3.3Å; E654-N687 HydrophobicContact CG-CB 4.29Å; E654-N687 WeakPolarHBondContact CG-ND2 3.17Å; E654-N687 PolarHBondContact O-ND2 3.02Å; L684-N687 PolarHBondContact O-N 3.47Å; R685-N687 VanDerWaalsContact C-N 3.28Å; R685-N687 PolarHBondContact O-N 2.95Å; N687-K689 PolarHBondContact O-N 2.92Å; N687-K689 WeakPolarHBondContact OD1-CB 3.44Å; N687-K689 PolarHBondContact OD1-N 2.98Å; N687-T690 PolarHBondContact ND2-OG1 2.93Å; N687-T690 VanDerWaalsContact ND2-OG1 3.08Å; N687-T690 PolarHBondContact O-N 3.2Å; N687-T690 VanDerWaalsContact O-N 3.16Å
688	N	70.3	Confident	72.8	Confident	150 Å²	150	48.4 Å²	48.4	80%	0.802	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.3	176.8	-67.2	-16.9	0	0	0	114.7	P692	N688-P692 VanDerWaalsContact O-CD 3.28Å; N688-P692 WeakPolarHBondContact O-CD 3.44Å; N688-P692 WeakPolarHBondContact O-CG 3.1Å
689	K	77.5	Confident	73.5	Confident	107 Å²	107	55.8 Å²	55.8	47%	0.465	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-30.6	178.5	-63	-175.5	178.8	-179.5	0	113	P658 N687 I693	P658-K689 HydrophobicContact CG-CB 4.39Å; N687-K689 PolarHBondContact O-N 2.92Å; N687-K689 WeakPolarHBondContact OD1-CB 3.44Å; N687-K689 PolarHBondContact OD1-N 2.98Å; K689-I693 WeakPolarHBondContact O-CD1 3.28Å; K689-I693 WeakPolarHBondContact O-CG1 3.34Å
690	T	79.2	Confident	74	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-83	-45.1	-169.3	-63.8	0	0	0	0	112.3	E654 I657 L684 N687 I693 L694	E654-T690 PolarHBondContact O-OG1 2.85Å; I657-T690 HydrophobicContact CB-CG2 3.7Å; I657-T690 HydrophobicContact CG1-CG2 3.71Å; I657-T690 HydrophobicContact CG2-CG2 3.84Å; L684-T690 HydrophobicContact CD2-CG2 3.65Å; N687-T690 PolarHBondContact ND2-OG1 2.93Å; N687-T690 VanDerWaalsContact ND2-OG1 3.08Å; N687-T690 PolarHBondContact O-N 3.2Å; N687-T690 VanDerWaalsContact O-N 3.16Å; T690-I693 WeakPolarHBondContact O-CB 3.12Å; T690-I693 PolarHBondContact O-N 2.72Å; T690-I693 VanDerWaalsContact O-N 3.12Å; T690-L694 HydrophobicContact CG2-CD1 4.02Å; T690-L694 HydrophobicContact CG2-CG 4.32Å; T690-L694 PolarHBondContact O-N 2.92Å; T690-L694 VanDerWaalsContact O-N 3.07Å
691	W	78.5	Confident	74.3	Confident	19 Å²	19	59 Å²	59	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-41.7	-177.3	-172.3	-123.8	0	0	0	114.4	I693 L694 K695 V714 L717 F729 E732 L733 V736	W691-I693 VanDerWaalsContact C-N 3.28Å; W691-I693 PolarHBondContact O-N 3.37Å; W691-L694 HydrophobicContact CE3-CB 4.38Å; W691-L694 HydrophobicContact CE3-CD1 4.05Å; W691-L694 HydrophobicContact CZ3-CD1 4.39Å; W691-L694 PolarHBondContact O-N 3.07Å; W691-K695 WeakPolarHBondContact O-CG 3.23Å; W691-K695 PolarHBondContact O-N 3.31Å; W691-V714 HydrophobicContact CH2-CG2 4.49Å; W691-V714 HydrophobicContact CZ3-CG2 4.16Å; W691-L717 HydrophobicContact CZ3-CD1 4.48Å; W691-F729 HydrophobicContact CB-CE2 4.3Å; W691-F729 HydrophobicContact CD2-CD2 4.27Å; W691-F729 AromaticContact CD2-CE2 3.46Å; W691-F729 HydrophobicContact CD2-CE2 3.46Å; W691-F729 VanDerWaalsContact CD2-CE2 3.46Å; W691-F729 HydrophobicContact CD2-CZ 4.18Å; W691-F729 AromaticContact CE2-CE2 3.82Å; W691-F729 AromaticContact CE3-CE2 3.52Å; W691-F729 HydrophobicContact CE3-CE2 3.52Å; W691-F729 AromaticContact CE3-CZ 3.79Å; W691-F729 HydrophobicContact CE3-CZ 3.79Å; W691-F729 HydrophobicContact CG-CD2 4.38Å; W691-F729 AromaticContact CG-CE2 3.83Å; W691-F729 HydrophobicContact CG-CE2 3.83Å; W691-F729 HydrophobicContact CH2-CE2 4.3Å; W691-F729 HydrophobicContact CH2-CZ 4.23Å; W691-F729 HydrophobicContact CZ2-CE2 4.24Å; W691-F729 AromaticContact CZ3-CE2 3.96Å; W691-F729 HydrophobicContact CZ3-CE2 3.96Å; W691-F729 AromaticContact CZ3-CZ 3.81Å; W691-F729 HydrophobicContact CZ3-CZ 3.81Å; W691-E732 HydrophobicContact CZ2-CG 4.16Å; W691-E732 PolarHBondContact NE1-OE1 2.85Å; W691-E732 PolarHBondContact NE1-OE2 3.25Å; W691-L733 HydrophobicContact CH2-CB 4.48Å; W691-L733 HydrophobicContact CH2-CD1 3.87Å; W691-L733 HydrophobicContact CZ3-CD1 4.38Å; W691-V736 HydrophobicContact CH2-CG2 4.4Å; W691-V736 HydrophobicContact CZ2-CG2 4.17Å
692	P	82.6	Confident	74.6	Confident	68 Å²	68	61.9 Å²	61.9	44%	0.442	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-35.9	173.9	-25.4	36	0	0	0	113.8	N688 S696	N688-P692 VanDerWaalsContact O-CD 3.28Å; N688-P692 WeakPolarHBondContact O-CD 3.44Å; N688-P692 WeakPolarHBondContact O-CG 3.1Å; P692-S696 PolarHBondContact O-N 3Å
693	I	86.2	Confident	74.9	Confident	27 Å²	27	65 Å²	65	14%	0.138	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-47.2	177.8	-63.5	174.9	0	0	0	109.9	I657 P658 D661 K689 T690 W691 K695 S696 W697	I657-I693 HydrophobicContact CG2-CB 4.24Å; I657-I693 HydrophobicContact CG2-CG2 3.9Å; P658-I693 HydrophobicContact CB-CD1 4.08Å; P658-I693 HydrophobicContact CG-CD1 4.04Å; D661-I693 HydrophobicContact CB-CD1 4.32Å; D661-I693 HydrophobicContact CB-CG2 3.76Å; K689-I693 WeakPolarHBondContact O-CD1 3.28Å; K689-I693 WeakPolarHBondContact O-CG1 3.34Å; T690-I693 WeakPolarHBondContact O-CB 3.12Å; T690-I693 PolarHBondContact O-N 2.72Å; T690-I693 VanDerWaalsContact O-N 3.12Å; W691-I693 VanDerWaalsContact C-N 3.28Å; W691-I693 PolarHBondContact O-N 3.37Å; I693-K695 VanDerWaalsContact C-N 3.32Å; I693-K695 PolarHBondContact O-N 3.47Å; I693-S696 WeakPolarHBondContact O-CA 3.39Å; I693-S696 VanDerWaalsContact O-CB 3.29Å; I693-S696 WeakPolarHBondContact O-CB 3.36Å; I693-S696 PolarHBondContact O-N 2.77Å; I693-S696 VanDerWaalsContact O-N 3.08Å; I693-W697 HydrophobicContact CG2-CD2 4.16Å; I693-W697 HydrophobicContact CG2-CG 4.5Å; I693-W697 HydrophobicContact CG2-CH2 4.48Å; I693-W697 HydrophobicContact CG2-CZ2 3.69Å; I693-W697 PolarHBondContact O-N 3.44Å
694	L	82.7	Confident	75.2	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-43.3	176.8	-65.9	175.7	0	0	0	111.5	I657 T690 W691 S696 W697 L698 A710 I713	I657-L694 HydrophobicContact CG2-CD2 4.33Å; T690-L694 HydrophobicContact CG2-CD1 4.02Å; T690-L694 HydrophobicContact CG2-CG 4.32Å; T690-L694 PolarHBondContact O-N 2.92Å; T690-L694 VanDerWaalsContact O-N 3.07Å; W691-L694 HydrophobicContact CE3-CB 4.38Å; W691-L694 HydrophobicContact CE3-CD1 4.05Å; W691-L694 HydrophobicContact CZ3-CD1 4.39Å; W691-L694 PolarHBondContact O-N 3.07Å; L694-S696 VanDerWaalsContact C-N 3.33Å; L694-S696 PolarHBondContact O-N 3.35Å; L694-W697 HydrophobicContact CD2-CE3 4.04Å; L694-W697 HydrophobicContact CD2-CZ3 4.2Å; L694-W697 WeakPolarHBondContact O-CB 3.44Å; L694-W697 PolarHBondContact O-N 3.21Å; L694-L698 VanDerWaalsContact O-CG 3.26Å; L694-L698 WeakPolarHBondContact O-CG 3.36Å; L694-L698 PolarHBondContact O-N 3.33Å; L694-A710 HydrophobicContact CD2-CB 4.31Å; L694-I713 HydrophobicContact CD1-CG2 3.93Å; L694-I713 HydrophobicContact CD2-CB 4.34Å; L694-I713 HydrophobicContact CD2-CD1 3.55Å; L694-I713 HydrophobicContact CD2-CG2 4.25Å
695	K	82.7	Confident	75.8	Confident	57 Å²	57	68.6 Å²	68.6	25%	0.248	35%	0.347	C	S	.	.	H	α-helix	trans	-60.9	-40.9	173.8	-73.8	-169.5	-69.4	-167.9	0	112.6	W691 I693 L698 R699 E732	W691-K695 WeakPolarHBondContact O-CG 3.23Å; W691-K695 PolarHBondContact O-N 3.31Å; I693-K695 VanDerWaalsContact C-N 3.32Å; I693-K695 PolarHBondContact O-N 3.47Å; K695-L698 PolarHBondContact O-N 2.93Å; K695-R699 WeakPolarHBondContact O-CG 3.45Å; K695-R699 PolarHBondContact O-N 3.18Å; K695-E732 WeakPolarHBondContact CD-OE1 3.24Å; K695-E732 WeakPolarHBondContact CE-OE1 3.27Å; K695-E732 IonicContact NZ-OE1 3.63Å; K695-E732 PolarHBondContact NZ-OE1 3.33Å; K695-E732 IonicContact NZ-OE2 2.71Å
696	S	84.5	Confident	76.9	Confident	55 Å²	55	67.3 Å²	67.3	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-47.4	174.2	-175.8	0	0	0	0	111	P692 I693 L694 L698 R699 H700	P692-S696 PolarHBondContact O-N 3Å; I693-S696 WeakPolarHBondContact O-CA 3.39Å; I693-S696 VanDerWaalsContact O-CB 3.29Å; I693-S696 WeakPolarHBondContact O-CB 3.36Å; I693-S696 PolarHBondContact O-N 2.77Å; I693-S696 VanDerWaalsContact O-N 3.08Å; L694-S696 VanDerWaalsContact C-N 3.33Å; L694-S696 PolarHBondContact O-N 3.35Å; S696-L698 VanDerWaalsContact C-N 3.34Å; S696-L698 PolarHBondContact O-N 3.09Å; S696-R699 WeakPolarHBondContact O-CB 3.48Å; S696-R699 PolarHBondContact O-N 3.2Å; S696-R699 VanDerWaalsContact O-N 3.13Å; S696-H700 PolarHBondContact O-CE1 3.49Å; S696-H700 PolarHBondContact O-ND1 3Å
697	W	86.3	Confident	77.9	Confident	1 Å²	1	60.7 Å²	60.7	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-39.7	177.4	-69.5	3.9	0	0	0	112.6	I657 M660 D661 L664 I693 L694 R699 H700 Q706 L709 A710 I713	I657-W697 HydrophobicContact CG2-CH2 4.05Å; I657-W697 HydrophobicContact CG2-CZ2 4.48Å; I657-W697 HydrophobicContact CG2-CZ3 4.46Å; M660-W697 HydrophobicContact CB-CH2 4.24Å; M660-W697 HydrophobicContact CG-CH2 4.02Å; D661-W697 HydrophobicContact CB-CZ2 3.74Å; D661-W697 PolarHBondContact OD1-NE1 3.07Å; L664-W697 HydrophobicContact CD1-CH2 4.04Å; L664-W697 HydrophobicContact CD1-CZ2 3.9Å; I693-W697 HydrophobicContact CG2-CD2 4.16Å; I693-W697 HydrophobicContact CG2-CG 4.5Å; I693-W697 HydrophobicContact CG2-CH2 4.48Å; I693-W697 HydrophobicContact CG2-CZ2 3.69Å; I693-W697 PolarHBondContact O-N 3.44Å; L694-W697 HydrophobicContact CD2-CE3 4.04Å; L694-W697 HydrophobicContact CD2-CZ3 4.2Å; L694-W697 WeakPolarHBondContact O-CB 3.44Å; L694-W697 PolarHBondContact O-N 3.21Å; W697-R699 PolarHBondContact O-N 2.86Å; W697-H700 WeakPolarHBondContact O-CB 3.35Å; W697-H700 PolarHBondContact O-N 3.49Å; W697-H700 VanDerWaalsContact O-N 3.1Å; W697-H700 PolarHBondContact O-ND1 3.05Å; W697-Q706 HydrophobicContact CB-CB 3.93Å; W697-Q706 HydrophobicContact CD2-CB 4.32Å; W697-Q706 HydrophobicContact CG-CB 3.81Å; W697-Q706 HydrophobicContact CG-CG 4.28Å; W697-L709 HydrophobicContact CE3-CB 4.38Å; W697-L709 HydrophobicContact CZ3-CB 4.26Å; W697-A710 HydrophobicContact CB-CB 3.55Å; W697-A710 HydrophobicContact CE3-CB 4.03Å; W697-I713 HydrophobicContact CZ3-CD1 4.36Å
698	L	79.3	Confident	78.4	Confident	14 Å²	14	62.2 Å²	62.2	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-68	-17.4	176.6	-70.3	165.7	0	0	0	114.7	L694 K695 S696 H700 F707 A710 V714 V736 L740 K743	L694-L698 VanDerWaalsContact O-CG 3.26Å; L694-L698 WeakPolarHBondContact O-CG 3.36Å; L694-L698 PolarHBondContact O-N 3.33Å; K695-L698 PolarHBondContact O-N 2.93Å; S696-L698 VanDerWaalsContact C-N 3.34Å; S696-L698 PolarHBondContact O-N 3.09Å; L698-H700 VanDerWaalsContact C-N 3.35Å; L698-F707 HydrophobicContact CD2-CE2 4.35Å; L698-A710 HydrophobicContact CD2-CB 3.89Å; L698-A710 HydrophobicContact CG-CB 3.78Å; L698-V714 HydrophobicContact CD1-CG2 4.12Å; L698-V736 HydrophobicContact CD1-CG1 3.49Å; L698-V736 VanDerWaalsContact CD1-CG1 3.49Å; L698-L740 HydrophobicContact CD2-CD1 4.11Å; L698-L740 HydrophobicContact CD2-CD2 3.91Å; L698-L740 HydrophobicContact CD2-CG 4.39Å; L698-K743 PolarHBondContact O-NZ 2.85Å
699	R	80.4	Confident	78.8	Confident	203 Å²	203	55.6 Å²	55.6	77%	0.766	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15	173.1	-70	170.7	-175.1	-175.6	0.8	112.9	K695 S696 W697	K695-R699 WeakPolarHBondContact O-CG 3.45Å; K695-R699 PolarHBondContact O-N 3.18Å; S696-R699 WeakPolarHBondContact O-CB 3.48Å; S696-R699 PolarHBondContact O-N 3.2Å; S696-R699 VanDerWaalsContact O-N 3.13Å; W697-R699 PolarHBondContact O-N 2.86Å
700	H	78.5	Confident	78.8	Confident	77 Å²	77	50.5 Å²	50.5	36%	0.356	27%	0.266	S	S	.	.	S	Bend	trans	-68.6	163.9	174	-66.3	65.1	0	0	0	110.6	S696 W697 L698 S704	S696-H700 PolarHBondContact O-CE1 3.49Å; S696-H700 PolarHBondContact O-ND1 3Å; W697-H700 WeakPolarHBondContact O-CB 3.35Å; W697-H700 PolarHBondContact O-N 3.49Å; W697-H700 VanDerWaalsContact O-N 3.1Å; W697-H700 PolarHBondContact O-ND1 3.05Å; L698-H700 VanDerWaalsContact C-N 3.35Å; H700-S704 WeakPolarHBondContact CB-OG 3.2Å
701	G	71.5	Confident	78.6	Confident	51 Å²	51	51.5 Å²	51.5	53%	0.526	27%	0.271	S	S	.	.			trans	-58.9	149.6	175.2	0	0	0	0	0	111.6	E703 S704 F707	G701-E703 PolarHBondContact O-N 2.66Å; G701-E703 VanDerWaalsContact O-N 3.12Å; G701-S704 VanDerWaalsContact O-CB 3.24Å; G701-S704 WeakPolarHBondContact O-CB 3.39Å; G701-S704 PolarHBondContact O-N 2.79Å; G701-S704 PolarHBondContact O-OG 3.31Å; G701-F707 VanDerWaalsContact O-CB 3.28Å; G701-F707 WeakPolarHBondContact O-CB 3.46Å
702	V	67.5	Low	78.4	Confident	74 Å²	74	55.3 Å²	55.3	45%	0.448	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.6	-176.6	-178.9	0	0	0	0	112.2	S704 F707	V702-S704 VanDerWaalsContact C-N 3.29Å; V702-S704 PolarHBondContact O-N 3.31Å; V702-F707 HydrophobicContact CB-CD1 4.32Å; V702-F707 HydrophobicContact CB-CE1 4.17Å; V702-F707 HydrophobicContact CG1-CD1 4.13Å; V702-F707 HydrophobicContact CG1-CE1 3.74Å; V702-F707 HydrophobicContact CG1-CZ 4.34Å; V702-F707 HydrophobicContact CG2-CE1 4.23Å; V702-F707 HydrophobicContact CG2-CE2 4.42Å; V702-F707 HydrophobicContact CG2-CZ 4.08Å; V702-F707 WeakPolarHBondContact O-CD1 3.38Å
703	E	68.5	Low	78	Confident	198 Å²	198	52.3 Å²	52.3	93%	0.925	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.9	176.7	-57.6	-174	176.4	0	0	113.8	G701	G701-E703 PolarHBondContact O-N 2.66Å; G701-E703 VanDerWaalsContact O-N 3.12Å
704	S	74	Confident	77.4	Confident	24 Å²	24	51 Å²	51	17%	0.168	26%	0.259	C	S	.	.	S	Bend	trans	-73.9	143.5	179.6	73.2	0	0	0	0	111.3	H700 G701 V702 Q706 F707 A708	H700-S704 WeakPolarHBondContact CB-OG 3.2Å; G701-S704 VanDerWaalsContact O-CB 3.24Å; G701-S704 WeakPolarHBondContact O-CB 3.39Å; G701-S704 PolarHBondContact O-N 2.79Å; G701-S704 PolarHBondContact O-OG 3.31Å; V702-S704 VanDerWaalsContact C-N 3.29Å; V702-S704 PolarHBondContact O-N 3.31Å; S704-Q706 VanDerWaalsContact C-N 3.28Å; S704-Q706 PolarHBondContact O-N 2.68Å; S704-F707 PolarHBondContact O-N 2.95Å; S704-F707 WeakPolarHBondContact OG-CB 3.44Å; S704-F707 PolarHBondContact OG-N 3.35Å; S704-A708 PolarHBondContact O-N 2.88Å
705	K	77.3	Confident	76.7	Confident	92 Å²	92	51.2 Å²	51.2	40%	0.4	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-37	174.1	-76.5	179.6	179.5	178.3	0	112.2	P668 S669 F707 A708 L709	P668-K705 WeakPolarHBondContact O-CD 3.37Å; P668-K705 PolarHBondContact O-NZ 2.77Å; S669-K705 VanDerWaalsContact C-NZ 3.31Å; S669-K705 VanDerWaalsContact CA-NZ 3.28Å; S669-K705 PolarHBondContact O-NZ 3.23Å; K705-F707 VanDerWaalsContact C-N 3.32Å; K705-F707 PolarHBondContact O-N 3Å; K705-A708 PolarHBondContact O-N 3.48Å; K705-L709 WeakPolarHBondContact O-CB 3.48Å; K705-L709 VanDerWaalsContact O-CG 3.28Å; K705-L709 WeakPolarHBondContact O-CG 3.2Å; K705-L709 PolarHBondContact O-N 3.3Å
706	Q	82.6	Confident	75.9	Confident	40 Å²	40	50.5 Å²	50.5	19%	0.187	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-48.6	174.7	-69	86.8	-18.2	0	0	110.4	L664 W697 S704 L709 A710	L664-Q706 HydrophobicContact CD1-CG 4.33Å; W697-Q706 HydrophobicContact CB-CB 3.93Å; W697-Q706 HydrophobicContact CD2-CB 4.32Å; W697-Q706 HydrophobicContact CG-CB 3.81Å; W697-Q706 HydrophobicContact CG-CG 4.28Å; S704-Q706 VanDerWaalsContact C-N 3.28Å; S704-Q706 PolarHBondContact O-N 2.68Å; Q706-L709 PolarHBondContact O-N 2.63Å; Q706-A710 WeakPolarHBondContact O-CB 3.39Å; Q706-A710 PolarHBondContact O-N 3.39Å
707	F	79.7	Confident	75	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-49.3	174.7	-178.4	-85.4	0	0	0	110.9	L698 G701 V702 S704 K705 L709 A710 E711 L740 K743	L698-F707 HydrophobicContact CD2-CE2 4.35Å; G701-F707 VanDerWaalsContact O-CB 3.28Å; G701-F707 WeakPolarHBondContact O-CB 3.46Å; V702-F707 HydrophobicContact CB-CD1 4.32Å; V702-F707 HydrophobicContact CB-CE1 4.17Å; V702-F707 HydrophobicContact CG1-CD1 4.13Å; V702-F707 HydrophobicContact CG1-CE1 3.74Å; V702-F707 HydrophobicContact CG1-CZ 4.34Å; V702-F707 HydrophobicContact CG2-CE1 4.23Å; V702-F707 HydrophobicContact CG2-CE2 4.42Å; V702-F707 HydrophobicContact CG2-CZ 4.08Å; V702-F707 WeakPolarHBondContact O-CD1 3.38Å; S704-F707 PolarHBondContact O-N 2.95Å; S704-F707 WeakPolarHBondContact OG-CB 3.44Å; S704-F707 PolarHBondContact OG-N 3.35Å; K705-F707 VanDerWaalsContact C-N 3.32Å; K705-F707 PolarHBondContact O-N 3Å; F707-L709 VanDerWaalsContact C-N 3.3Å; F707-L709 PolarHBondContact O-N 2.9Å; F707-A710 PolarHBondContact O-N 2.88Å; F707-E711 HydrophobicContact CD1-CB 4.31Å; F707-E711 HydrophobicContact CE1-CB 4.07Å; F707-E711 HydrophobicContact CE1-CG 4.38Å; F707-E711 WeakPolarHBondContact CE1-OE2 3.43Å; F707-E711 WeakPolarHBondContact O-CB 3.39Å; F707-E711 PolarHBondContact O-N 3.44Å; F707-L740 HydrophobicContact CE1-CD2 4.39Å; F707-L740 HydrophobicContact CE2-CD2 3.67Å; F707-L740 HydrophobicContact CZ-CD2 3.36Å; F707-K743 HydrophobicContact CE2-CD 4.24Å; F707-K743 HydrophobicContact CZ-CD 4.43Å
708	A	75.8	Confident	73.9	Confident	47 Å²	47	48.3 Å²	48.3	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-38	-179.6	0	0	0	0	0	113	S704 K705 R712	S704-A708 PolarHBondContact O-N 2.88Å; K705-A708 PolarHBondContact O-N 3.48Å; A708-R712 WeakPolarHBondContact O-CB 2.98Å; A708-R712 PolarHBondContact O-N 3.35Å
709	L	79.1	Confident	72.9	Confident	11 Å²	11	48.6 Å²	48.6	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-71.1	-44.3	176	-69.3	-179.7	0	0	0	111.8	M660 L664 I676 W697 K705 Q706 F707 R712 I713	M660-L709 HydrophobicContact CE-CD1 3.95Å; L664-L709 HydrophobicContact CD1-CD1 3.78Å; L664-L709 HydrophobicContact CD2-CD1 4.4Å; I676-L709 HydrophobicContact CD1-CB 4.14Å; I676-L709 HydrophobicContact CD1-CD1 3.97Å; I676-L709 HydrophobicContact CD1-CD2 3.61Å; I676-L709 HydrophobicContact CD1-CG 4.1Å; W697-L709 HydrophobicContact CE3-CB 4.38Å; W697-L709 HydrophobicContact CZ3-CB 4.26Å; K705-L709 WeakPolarHBondContact O-CB 3.48Å; K705-L709 VanDerWaalsContact O-CG 3.28Å; K705-L709 WeakPolarHBondContact O-CG 3.2Å; K705-L709 PolarHBondContact O-N 3.3Å; Q706-L709 PolarHBondContact O-N 2.63Å; F707-L709 VanDerWaalsContact C-N 3.3Å; F707-L709 PolarHBondContact O-N 2.9Å; L709-R712 PolarHBondContact O-N 3.29Å; L709-I713 VanDerWaalsContact O-CG1 3.3Å; L709-I713 WeakPolarHBondContact O-CG1 3.24Å; L709-I713 PolarHBondContact O-N 3Å
710	A	78.8	Confident	71.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-42	178.5	0	0	0	0	0	112.2	L694 W697 L698 Q706 F707 R712 I713 V714	L694-A710 HydrophobicContact CD2-CB 4.31Å; W697-A710 HydrophobicContact CB-CB 3.55Å; W697-A710 HydrophobicContact CE3-CB 4.03Å; L698-A710 HydrophobicContact CD2-CB 3.89Å; L698-A710 HydrophobicContact CG-CB 3.78Å; Q706-A710 WeakPolarHBondContact O-CB 3.39Å; Q706-A710 PolarHBondContact O-N 3.39Å; F707-A710 PolarHBondContact O-N 2.88Å; A710-R712 VanDerWaalsContact C-N 3.3Å; A710-R712 PolarHBondContact O-N 2.92Å; A710-I713 PolarHBondContact O-N 3.33Å; A710-V714 WeakPolarHBondContact O-CB 3.46Å; A710-V714 WeakPolarHBondContact O-CG2 3.11Å; A710-V714 PolarHBondContact O-N 2.98Å
711	E	73.8	Confident	70.5	Confident	22 Å²	22	38.4 Å²	38.4	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-56	-49.7	170.8	-178.8	-167.7	-178.8	0	0	108.9	F707 I713 V714 A715 H744 F769	F707-E711 HydrophobicContact CD1-CB 4.31Å; F707-E711 HydrophobicContact CE1-CB 4.07Å; F707-E711 HydrophobicContact CE1-CG 4.38Å; F707-E711 WeakPolarHBondContact CE1-OE2 3.43Å; F707-E711 WeakPolarHBondContact O-CB 3.39Å; F707-E711 PolarHBondContact O-N 3.44Å; E711-I713 VanDerWaalsContact C-N 3.33Å; E711-I713 PolarHBondContact O-N 2.99Å; E711-V714 PolarHBondContact O-N 3.28Å; E711-A715 WeakPolarHBondContact O-CA 3.32Å; E711-A715 WeakPolarHBondContact O-CB 3.47Å; E711-A715 PolarHBondContact O-N 3.45Å; E711-H744 IonicContact OE1-CD2 3.98Å; E711-H744 IonicContact OE1-CE1 3.82Å; E711-H744 PolarHBondContact OE1-CE1 3.5Å; E711-H744 IonicContact OE1-NE2 3.44Å; E711-H744 PolarHBondContact OE1-NE2 3.13Å; E711-H744 IonicContact OE2-NE2 2.63Å; E711-F769 HydrophobicContact CG-CD1 4.48Å
712	R	74.3	Confident	69.7	Low	98 Å²	98	36.1 Å²	36.1	37%	0.37	19%	0.186	S	C	.	.	H	α-helix	trans	-60.8	-41.4	179	-171.5	168.5	-174.2	150.8	1.4	112.5	N677 A708 L709 A710 E716	N677-R712 PolarHBondContact ND2-NH2 3.02Å; N677-R712 VanDerWaalsContact OD1-CZ 3.24Å; N677-R712 PolarHBondContact OD1-NE 3.49Å; N677-R712 PolarHBondContact OD1-NH2 2.8Å; N677-R712 VanDerWaalsContact OD1-NH2 3.09Å; A708-R712 WeakPolarHBondContact O-CB 2.98Å; A708-R712 PolarHBondContact O-N 3.35Å; L709-R712 PolarHBondContact O-N 3.29Å; A710-R712 VanDerWaalsContact C-N 3.3Å; A710-R712 PolarHBondContact O-N 2.92Å; R712-E716 WeakPolarHBondContact O-CB 3.46Å; R712-E716 WeakPolarHBondContact O-CG 3.47Å; R712-E716 PolarHBondContact O-N 3.03Å
713	I	73.8	Confident	68.7	Low	6 Å²	6	35.1 Å²	35.1	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-62.1	173.7	-69.1	163.5	0	0	0	109	I657 I676 L684 L694 W697 L709 A710 E711 A715 E716 L717	I657-I713 HydrophobicContact CD1-CD1 3.59Å; I676-I713 HydrophobicContact CD1-CD1 4.47Å; I676-I713 HydrophobicContact CG1-CD1 4.47Å; I676-I713 HydrophobicContact CG2-CD1 3.87Å; I676-I713 HydrophobicContact CG2-CG1 3.31Å; L684-I713 HydrophobicContact CD1-CG2 4.01Å; L694-I713 HydrophobicContact CD1-CG2 3.93Å; L694-I713 HydrophobicContact CD2-CB 4.34Å; L694-I713 HydrophobicContact CD2-CD1 3.55Å; L694-I713 HydrophobicContact CD2-CG2 4.25Å; W697-I713 HydrophobicContact CZ3-CD1 4.36Å; L709-I713 VanDerWaalsContact O-CG1 3.3Å; L709-I713 WeakPolarHBondContact O-CG1 3.24Å; L709-I713 PolarHBondContact O-N 3Å; A710-I713 PolarHBondContact O-N 3.33Å; E711-I713 VanDerWaalsContact C-N 3.33Å; E711-I713 PolarHBondContact O-N 2.99Å; I713-A715 PolarHBondContact O-N 3.3Å; I713-E716 CarbonylContact O-C 3.2Å; I713-E716 WeakPolarHBondContact O-CA 3.35Å; I713-E716 PolarHBondContact O-N 3.36Å; I713-L717 HydrophobicContact CG2-CD1 3.91Å; I713-L717 HydrophobicContact CG2-CD2 4.27Å; I713-L717 HydrophobicContact CG2-CG 3.98Å; I713-L717 VanDerWaalsContact O-CG 3.27Å; I713-L717 WeakPolarHBondContact O-CG 3.37Å; I713-L717 PolarHBondContact O-N 3.43Å
714	V	73.9	Confident	67.7	Low	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-34.5	-175.8	168.4	0	0	0	0	112.7	W691 L698 A710 E711 L717 G718 L733 V736 L737 L740	W691-V714 HydrophobicContact CH2-CG2 4.49Å; W691-V714 HydrophobicContact CZ3-CG2 4.16Å; L698-V714 HydrophobicContact CD1-CG2 4.12Å; A710-V714 WeakPolarHBondContact O-CB 3.46Å; A710-V714 WeakPolarHBondContact O-CG2 3.11Å; A710-V714 PolarHBondContact O-N 2.98Å; E711-V714 PolarHBondContact O-N 3.28Å; V714-L717 HydrophobicContact CG2-CD1 4.49Å; V714-L717 PolarHBondContact O-N 3.4Å; V714-G718 PolarHBondContact O-N 3.38Å; V714-L733 HydrophobicContact CG1-CD1 3.79Å; V714-V736 HydrophobicContact CG1-CG1 3.92Å; V714-L737 HydrophobicContact CG1-CD2 3.69Å; V714-L737 HydrophobicContact CG1-CG 4.18Å; V714-L740 HydrophobicContact CG1-CD1 3.93Å
715	A	68.2	Low	66.7	Low	5 Å²	5	27 Å²	27	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-52	171.1	0	0	0	0	0	112	E711 I713 L717 G718 L719 F769	E711-A715 WeakPolarHBondContact O-CA 3.32Å; E711-A715 WeakPolarHBondContact O-CB 3.47Å; E711-A715 PolarHBondContact O-N 3.45Å; I713-A715 PolarHBondContact O-N 3.3Å; A715-L717 VanDerWaalsContact C-N 3.31Å; A715-G718 PolarHBondContact O-N 3.22Å; A715-L719 VanDerWaalsContact O-CB 3.26Å; A715-L719 WeakPolarHBondContact O-CB 3.33Å; A715-L719 VanDerWaalsContact O-CG 3.24Å; A715-L719 WeakPolarHBondContact O-CG 3.47Å; A715-L719 PolarHBondContact O-N 3.28Å; A715-F769 HydrophobicContact CB-CB 3.4Å; A715-F769 HydrophobicContact CB-CD2 4.28Å; A715-F769 HydrophobicContact CB-CG 4.03Å
716	E	67	Low	65.5	Low	42 Å²	42	28.9 Å²	28.9	20%	0.196	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-34.5	176.3	-64.5	-72.6	161.9	0	0	110.7	R712 I713 G720 R768	R712-E716 WeakPolarHBondContact O-CB 3.46Å; R712-E716 WeakPolarHBondContact O-CG 3.47Å; R712-E716 PolarHBondContact O-N 3.03Å; I713-E716 CarbonylContact O-C 3.2Å; I713-E716 WeakPolarHBondContact O-CA 3.35Å; I713-E716 PolarHBondContact O-N 3.36Å; E716-G720 WeakPolarHBondContact O-CA 3.18Å; E716-G720 PolarHBondContact O-N 3.41Å; E716-R768 VanDerWaalsContact CD-NH1 3.32Å; E716-R768 VanDerWaalsContact OE1-CD 3.28Å; E716-R768 WeakPolarHBondContact OE1-CD 3.44Å; E716-R768 IonicContact OE1-CZ 3.32Å; E716-R768 IonicContact OE1-NE 2.83Å; E716-R768 IonicContact OE1-NH1 3.38Å; E716-R768 PolarHBondContact OE1-NH1 3.07Å; E716-R768 IonicContact OE2-NH1 3.64Å; E716-R768 PolarHBondContact OE2-NH1 2.99Å; E716-R768 VanDerWaalsContact OE2-NH1 3.1Å
717	L	65.6	Low	64.3	Low	8 Å²	8	29.5 Å²	29.5	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-45	172.7	-58.1	-177.2	0	0	0	110.8	F681 L684 W691 I713 V714 A715 H721 L733	F681-L717 HydrophobicContact CB-CD2 4Å; F681-L717 HydrophobicContact CD2-CB 3.85Å; F681-L717 HydrophobicContact CD2-CD1 4.48Å; F681-L717 HydrophobicContact CD2-CD2 3.47Å; F681-L717 VanDerWaalsContact CD2-CD2 3.47Å; F681-L717 HydrophobicContact CD2-CG 4.06Å; F681-L717 HydrophobicContact CE2-CB 4.16Å; F681-L717 HydrophobicContact CE2-CD2 4.43Å; F681-L717 HydrophobicContact CG-CD2 4.19Å; L684-L717 HydrophobicContact CD1-CD2 3.79Å; W691-L717 HydrophobicContact CZ3-CD1 4.48Å; I713-L717 HydrophobicContact CG2-CD1 3.91Å; I713-L717 HydrophobicContact CG2-CD2 4.27Å; I713-L717 HydrophobicContact CG2-CG 3.98Å; I713-L717 VanDerWaalsContact O-CG 3.27Å; I713-L717 WeakPolarHBondContact O-CG 3.37Å; I713-L717 PolarHBondContact O-N 3.43Å; V714-L717 HydrophobicContact CG2-CD1 4.49Å; V714-L717 PolarHBondContact O-N 3.4Å; A715-L717 VanDerWaalsContact C-N 3.31Å; L717-H721 PolarHBondContact O-N 3.44Å; L717-L733 HydrophobicContact CB-CD1 4.48Å; L717-L733 HydrophobicContact CB-CD2 4.41Å
718	G	61.6	Low	63.6	Low	2 Å²	2	33.7 Å²	33.7	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-73.9	-42.5	-179.8	0	0	0	0	0	113.3	V714 A715 Q813	V714-G718 PolarHBondContact O-N 3.38Å; A715-G718 PolarHBondContact O-N 3.22Å; G718-Q813 PolarHBondContact O-NE2 3.49Å; G718-Q813 PolarHBondContact O-OE1 3.5Å
719	L	59	Low	63.2	Low	20 Å²	20	32.7 Å²	32.7	11%	0.105	19%	0.189	C	C	.	.	H	α-helix	trans	-77.4	-26	179.5	-66	173.5	0	0	0	112.8	A715 R768 F772	A715-L719 VanDerWaalsContact O-CB 3.26Å; A715-L719 WeakPolarHBondContact O-CB 3.33Å; A715-L719 VanDerWaalsContact O-CG 3.24Å; A715-L719 WeakPolarHBondContact O-CG 3.47Å; A715-L719 PolarHBondContact O-N 3.28Å; L719-R768 HydrophobicContact CD1-CB 4.08Å; L719-F772 HydrophobicContact CD2-CB 4.31Å; L719-F772 HydrophobicContact CD2-CD1 4.26Å; L719-F772 HydrophobicContact CD2-CD2 3.98Å; L719-F772 HydrophobicContact CD2-CE2 4.44Å; L719-F772 HydrophobicContact CD2-CG 3.91Å
720	G	56.1	Low	62.4	Low	20 Å²	20	32.4 Å²	32.4	21%	0.206	19%	0.188	C	C	.	.	H	α-helix	trans	-83.1	-28.3	-177.4	0	0	0	0	0	114.8	E716	E716-G720 WeakPolarHBondContact O-CA 3.18Å; E716-G720 PolarHBondContact O-N 3.41Å
721	H	52.3	Low	61.7	Low	47 Å²	47	35.1 Å²	35.1	22%	0.218	21%	0.21	C	C	.	.			trans	-101.8	128.1	-178.5	-82	-82.9	0	0	0	113	F681 L717 L724	F681-H721 WeakPolarHBondContact CB-NE2 3.37Å; F681-H721 AromaticContact CD1-CD2 3.36Å; F681-H721 WeakPolarHBondContact CD1-CD2 3.44Å; F681-H721 AromaticContact CD1-CE1 3.32Å; F681-H721 WeakPolarHBondContact CD1-CE1 3.37Å; F681-H721 AromaticContact CD1-CG 3.86Å; F681-H721 AromaticContact CD1-ND1 3.83Å; F681-H721 AromaticContact CD1-NE2 3.01Å; F681-H721 WeakPolarHBondContact CD1-NE2 3.48Å; F681-H721 AromaticContact CD2-CD2 3.42Å; F681-H721 VanDerWaalsContact CD2-CD2 3.42Å; F681-H721 WeakPolarHBondContact CD2-CD2 3.07Å; F681-H721 AromaticContact CD2-NE2 3.85Å; F681-H721 AromaticContact CE1-CD2 3.76Å; F681-H721 AromaticContact CE1-CE1 3.76Å; F681-H721 AromaticContact CE1-CG 3.82Å; F681-H721 AromaticContact CE1-ND1 3.81Å; F681-H721 AromaticContact CE1-NE2 3.76Å; F681-H721 AromaticContact CE2-CD2 3.89Å; F681-H721 AromaticContact CG-CD2 3.16Å; F681-H721 WeakPolarHBondContact CG-CD2 3.44Å; F681-H721 AromaticContact CG-CE1 3.86Å; F681-H721 AromaticContact CG-NE2 3.05Å; F681-H721 WeakPolarHBondContact CG-NE2 3.39Å; L717-H721 PolarHBondContact O-N 3.44Å; H721-L724 HydrophobicContact CB-CD2 3.81Å
722	Y	54.2	Low	61.5	Low	2 Å²	2	37.1 Å²	37.1	1%	0.008	22%	0.22	C	C	.	.	S	Bend	trans	-103	-14.3	-171.5	-66.5	-61.1	0	0	0	114.7	Q813 P840 I843 Q890	Y722-Q813 CarbonylContact C-O 2.99Å; Y722-Q813 CarbonylContact O-C 3.48Å; Y722-Q813 VanDerWaalsContact O-O 3.07Å; Y722-P840 HydrophobicContact CD1-CB 3.66Å; Y722-P840 HydrophobicContact CD1-CG 4.42Å; Y722-P840 HydrophobicContact CE1-CB 3.48Å; Y722-P840 VanDerWaalsContact CE1-CB 3.48Å; Y722-P840 HydrophobicContact CE1-CG 3.81Å; Y722-I843 HydrophobicContact CD1-CB 4.5Å; Y722-I843 HydrophobicContact CD1-CG2 4.29Å; Y722-I843 HydrophobicContact CD2-CB 4.29Å; Y722-I843 HydrophobicContact CD2-CG2 3.32Å; Y722-I843 HydrophobicContact CE1-CB 4.35Å; Y722-I843 HydrophobicContact CE1-CG2 4.36Å; Y722-I843 HydrophobicContact CE2-CB 4.03Å; Y722-I843 HydrophobicContact CE2-CG1 4.28Å; Y722-I843 HydrophobicContact CE2-CG2 3.33Å; Y722-I843 HydrophobicContact CG-CB 4.47Å; Y722-I843 HydrophobicContact CG-CG2 3.79Å; Y722-Q890 HydrophobicContact CE2-CG 4.16Å; Y722-Q890 VanDerWaalsContact CZ-NE2 3.29Å; Y722-Q890 PolarHBondContact OH-NE2 3.38Å; Y722-Q890 PolarHBondContact OH-OE1 3.03Å
723	T	47.2	Very low	61.3	Low	53 Å²	53	32.4 Å²	32.4	33%	0.325	20%	0.202	S	C	.	.			trans	-144.5	76.6	178.9	51.3	0	0	0	0	106.8	A725 Q813 Y844	T723-A725 PolarHBondContact O-N 2.94Å; T723-Q813 CarbonylContact C-O 3.57Å; T723-Q813 WeakPolarHBondContact CA-O 3.4Å; T723-Q813 PolarHBondContact N-O 3.35Å; T723-Y844 HydrophobicContact CG2-CD2 3.94Å; T723-Y844 HydrophobicContact CG2-CE2 3.91Å
724	L	48.3	Very low	61.1	Low	2 Å²	2	32.7 Å²	32.7	1%	0.01	20%	0.204	C	C	.	.			trans	-64.1	107.5	167.4	-50.9	162.5	0	0	0	105.9	F681 H721 T730 L733 V734 Q813 S814	F681-L724 HydrophobicContact CZ-CD2 4.36Å; H721-L724 HydrophobicContact CB-CD2 3.81Å; L724-T730 HydrophobicContact CB-CG2 3.15Å; L724-T730 HydrophobicContact CD1-CG2 3.97Å; L724-T730 HydrophobicContact CG-CG2 4.11Å; L724-L733 HydrophobicContact CD2-CD2 3.82Å; L724-V734 HydrophobicContact CD1-CG2 4.15Å; L724-Q813 PolarHBondContact N-O 3.29Å; L724-S814 CarbonylContact O-C 3.53Å; L724-S814 VanDerWaalsContact O-CA 3.24Å; L724-S814 WeakPolarHBondContact O-CA 3.47Å
725	A	51.3	Low	60.9	Low	49 Å²	49	38 Å²	38	41%	0.405	23%	0.232	S	C	.	.			trans	-57.1	154.7	179.4	0	0	0	0	0	110.5	T723 D727 T730	T723-A725 PolarHBondContact O-N 2.94Å; A725-D727 PolarHBondContact O-N 2.68Å; A725-T730 VanDerWaalsContact O-CB 3.24Å; A725-T730 WeakPolarHBondContact O-CB 3.47Å; A725-T730 WeakPolarHBondContact O-CG2 3.43Å; A725-T730 PolarHBondContact O-OG1 2.91Å
726	D	52.2	Low	61.2	Low	133 Å²	133	38.7 Å²	38.7	71%	0.711	24%	0.236	S	C	*	.	S	Bend	trans	-64.6	75.1	172.6	-84	-26	0	0	0	111.3	N816	D726-N816 PolarHBondContact OD1-ND2 2.83Å
727	D	58.8	Low	61.5	Low	52 Å²	52	36.9 Å²	36.9	28%	0.278	23%	0.228	S	C	.	.	S	Bend	trans	-126.7	160.4	172	79.9	-6.3	0	0	0	111.8	R685 A725 F729 T730 A731	R685-D727 IonicContact CZ-OD2 3.1Å; R685-D727 IonicContact NE-OD2 3.29Å; R685-D727 PolarHBondContact NE-OD2 2.85Å; R685-D727 IonicContact NH2-OD1 2.63Å; R685-D727 IonicContact NH2-OD2 3.72Å; R685-D727 PolarHBondContact NH2-OD2 2.96Å; A725-D727 PolarHBondContact O-N 2.68Å; D727-F729 PolarHBondContact O-N 3.41Å; D727-F729 PolarHBondContact OD1-N 3.4Å; D727-T730 WeakPolarHBondContact O-CB 3.12Å; D727-T730 PolarHBondContact O-N 2.92Å; D727-T730 WeakPolarHBondContact OD1-CB 3.25Å; D727-T730 PolarHBondContact OD1-N 3.01Å; D727-T730 PolarHBondContact OD1-OG1 3.28Å; D727-A731 PolarHBondContact O-N 3.26Å
728	A	63.9	Low	61.9	Low	89 Å²	89	37 Å²	37	74%	0.736	23%	0.229	S	C	*	.	H	α-helix	trans	-60.7	-30.4	-176.6	0	0	0	0	0	112.9	E732	A728-E732 PolarHBondContact O-N 3.27Å
729	F	67.1	Low	62.4	Low	25 Å²	25	41.4 Å²	41.4	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-67.8	-43	178.2	178.2	-91.8	0	0	0	111.6	F681 R685 W691 D727 E732 L733	F681-F729 HydrophobicContact CE2-CE1 4.11Å; F681-F729 HydrophobicContact CZ-CE1 4.3Å; R685-F729 HydrophobicContact CB-CD1 4.42Å; R685-F729 HydrophobicContact CB-CE1 4.17Å; R685-F729 HydrophobicContact CB-CZ 4.47Å; R685-F729 HydrophobicContact CG-CD1 3.73Å; R685-F729 HydrophobicContact CG-CE1 3.99Å; R685-F729 HydrophobicContact CG-CG 4.11Å; W691-F729 HydrophobicContact CB-CE2 4.3Å; W691-F729 HydrophobicContact CD2-CD2 4.27Å; W691-F729 AromaticContact CD2-CE2 3.46Å; W691-F729 HydrophobicContact CD2-CE2 3.46Å; W691-F729 VanDerWaalsContact CD2-CE2 3.46Å; W691-F729 HydrophobicContact CD2-CZ 4.18Å; W691-F729 AromaticContact CE2-CE2 3.82Å; W691-F729 AromaticContact CE3-CE2 3.52Å; W691-F729 HydrophobicContact CE3-CE2 3.52Å; W691-F729 AromaticContact CE3-CZ 3.79Å; W691-F729 HydrophobicContact CE3-CZ 3.79Å; W691-F729 HydrophobicContact CG-CD2 4.38Å; W691-F729 AromaticContact CG-CE2 3.83Å; W691-F729 HydrophobicContact CG-CE2 3.83Å; W691-F729 HydrophobicContact CH2-CE2 4.3Å; W691-F729 HydrophobicContact CH2-CZ 4.23Å; W691-F729 HydrophobicContact CZ2-CE2 4.24Å; W691-F729 AromaticContact CZ3-CE2 3.96Å; W691-F729 HydrophobicContact CZ3-CE2 3.96Å; W691-F729 AromaticContact CZ3-CZ 3.81Å; W691-F729 HydrophobicContact CZ3-CZ 3.81Å; D727-F729 PolarHBondContact O-N 3.41Å; D727-F729 PolarHBondContact OD1-N 3.4Å; F729-E732 PolarHBondContact O-N 2.72Å; F729-L733 HydrophobicContact CE1-CD2 4.4Å; F729-L733 WeakPolarHBondContact O-CB 3.37Å; F729-L733 PolarHBondContact O-N 3.1Å
730	T	62.5	Low	63.2	Low	6 Å²	6	40.6 Å²	40.6	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-50	177.2	-69.7	0	0	0	0	111.3	L724 A725 D727 E732 L733 V734	L724-T730 HydrophobicContact CB-CG2 3.15Å; L724-T730 HydrophobicContact CD1-CG2 3.97Å; L724-T730 HydrophobicContact CG-CG2 4.11Å; A725-T730 VanDerWaalsContact O-CB 3.24Å; A725-T730 WeakPolarHBondContact O-CB 3.47Å; A725-T730 WeakPolarHBondContact O-CG2 3.43Å; A725-T730 PolarHBondContact O-OG1 2.91Å; D727-T730 WeakPolarHBondContact O-CB 3.12Å; D727-T730 PolarHBondContact O-N 2.92Å; D727-T730 WeakPolarHBondContact OD1-CB 3.25Å; D727-T730 PolarHBondContact OD1-N 3.01Å; D727-T730 PolarHBondContact OD1-OG1 3.28Å; T730-E732 VanDerWaalsContact C-N 3.26Å; T730-E732 PolarHBondContact O-N 3.1Å; T730-L733 WeakPolarHBondContact O-CB 3.45Å; T730-L733 PolarHBondContact O-N 3.38Å; T730-V734 WeakPolarHBondContact O-CG2 3.38Å; T730-V734 PolarHBondContact O-N 2.92Å
731	A	64	Low	64	Low	56 Å²	56	39.7 Å²	39.7	46%	0.463	24%	0.238	S	C	.	.	H	α-helix	trans	-56.5	-43.6	177.3	0	0	0	0	0	111.3	D727 V734 D735	D727-A731 PolarHBondContact O-N 3.26Å; A731-V734 PolarHBondContact O-N 3.04Å; A731-D735 PolarHBondContact O-N 3.08Å; A731-D735 VanDerWaalsContact O-N 3.1Å
732	E	70	Confident	64.9	Low	64 Å²	64	43.8 Å²	43.8	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-66.8	-37.1	176.5	-165	178.4	-174.7	0	0	112.7	W691 K695 A728 F729 T730 D735 V736	W691-E732 HydrophobicContact CZ2-CG 4.16Å; W691-E732 PolarHBondContact NE1-OE1 2.85Å; W691-E732 PolarHBondContact NE1-OE2 3.25Å; K695-E732 WeakPolarHBondContact CD-OE1 3.24Å; K695-E732 WeakPolarHBondContact CE-OE1 3.27Å; K695-E732 IonicContact NZ-OE1 3.63Å; K695-E732 PolarHBondContact NZ-OE1 3.33Å; K695-E732 IonicContact NZ-OE2 2.71Å; A728-E732 PolarHBondContact O-N 3.27Å; F729-E732 PolarHBondContact O-N 2.72Å; T730-E732 VanDerWaalsContact C-N 3.26Å; T730-E732 PolarHBondContact O-N 3.1Å; E732-D735 PolarHBondContact O-N 3.08Å; E732-V736 VanDerWaalsContact O-CG2 3.31Å; E732-V736 WeakPolarHBondContact O-CG2 3.36Å; E732-V736 PolarHBondContact O-N 2.89Å
733	L	71	Confident	65.7	Low	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-42.8	175.1	-179.8	65.2	0	0	0	111.2	F681 W691 V714 L717 L724 F729 T730 D735 V736 L737	F681-L733 HydrophobicContact CE2-CD2 4.33Å; W691-L733 HydrophobicContact CH2-CB 4.48Å; W691-L733 HydrophobicContact CH2-CD1 3.87Å; W691-L733 HydrophobicContact CZ3-CD1 4.38Å; V714-L733 HydrophobicContact CG1-CD1 3.79Å; L717-L733 HydrophobicContact CB-CD1 4.48Å; L717-L733 HydrophobicContact CB-CD2 4.41Å; L724-L733 HydrophobicContact CD2-CD2 3.82Å; F729-L733 HydrophobicContact CE1-CD2 4.4Å; F729-L733 WeakPolarHBondContact O-CB 3.37Å; F729-L733 PolarHBondContact O-N 3.1Å; T730-L733 WeakPolarHBondContact O-CB 3.45Å; T730-L733 PolarHBondContact O-N 3.38Å; L733-D735 VanDerWaalsContact C-N 3.32Å; L733-D735 PolarHBondContact O-N 3.39Å; L733-V736 PolarHBondContact O-N 3.4Å; L733-L737 HydrophobicContact CD1-CD1 4.44Å; L733-L737 HydrophobicContact CD1-CG 4.41Å; L733-L737 HydrophobicContact CG-CD1 4.06Å; L733-L737 HydrophobicContact CG-CG 4.47Å; L733-L737 WeakPolarHBondContact O-CB 3.49Å; L733-L737 VanDerWaalsContact O-CG 3.3Å; L733-L737 WeakPolarHBondContact O-CG 3.26Å; L733-L737 PolarHBondContact O-N 3.4Å
734	V	68	Low	66.7	Low	12 Å²	12	45.5 Å²	45.5	7%	0.073	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-44.2	174.7	169.6	0	0	0	0	111.1	L724 T730 A731 V736 L737 S738 V810	L724-V734 HydrophobicContact CD1-CG2 4.15Å; T730-V734 WeakPolarHBondContact O-CG2 3.38Å; T730-V734 PolarHBondContact O-N 2.92Å; A731-V734 PolarHBondContact O-N 3.04Å; V734-V736 PolarHBondContact O-N 2.97Å; V734-L737 PolarHBondContact O-N 3.49Å; V734-S738 WeakPolarHBondContact O-CB 3.46Å; V734-S738 PolarHBondContact O-N 2.92Å; V734-S738 PolarHBondContact O-OG 3.2Å; V734-V810 HydrophobicContact CB-CG1 3.75Å; V734-V810 HydrophobicContact CG1-CB 4.47Å; V734-V810 HydrophobicContact CG1-CG1 3.52Å; V734-V810 HydrophobicContact CG2-CG1 3.36Å
735	D	70.3	Confident	67.5	Low	112 Å²	112	45.5 Å²	45.5	60%	0.599	25%	0.254	S	S	*	.	H	α-helix	trans	-62.6	-43.1	176.8	-76.2	-23	0	0	0	111.9	A731 E732 L733 S738 L739	A731-D735 PolarHBondContact O-N 3.08Å; A731-D735 VanDerWaalsContact O-N 3.1Å; E732-D735 PolarHBondContact O-N 3.08Å; L733-D735 VanDerWaalsContact C-N 3.32Å; L733-D735 PolarHBondContact O-N 3.39Å; D735-S738 PolarHBondContact O-N 2.65Å; D735-L739 WeakPolarHBondContact O-CB 3.27Å; D735-L739 PolarHBondContact O-N 3.19Å
736	V	75.2	Confident	67.9	Low	19 Å²	19	47.1 Å²	47.1	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-64.5	-45.1	177.3	171.8	0	0	0	0	111.2	W691 L698 V714 E732 L733 V734 S738 L739 L740	W691-V736 HydrophobicContact CH2-CG2 4.4Å; W691-V736 HydrophobicContact CZ2-CG2 4.17Å; L698-V736 HydrophobicContact CD1-CG1 3.49Å; L698-V736 VanDerWaalsContact CD1-CG1 3.49Å; V714-V736 HydrophobicContact CG1-CG1 3.92Å; E732-V736 VanDerWaalsContact O-CG2 3.31Å; E732-V736 WeakPolarHBondContact O-CG2 3.36Å; E732-V736 PolarHBondContact O-N 2.89Å; L733-V736 PolarHBondContact O-N 3.4Å; V734-V736 PolarHBondContact O-N 2.97Å; V736-S738 VanDerWaalsContact C-N 3.32Å; V736-S738 PolarHBondContact O-N 3.04Å; V736-L739 WeakPolarHBondContact O-CB 3.44Å; V736-L739 PolarHBondContact O-N 3.27Å; V736-L740 HydrophobicContact CG1-CD1 4.21Å; V736-L740 HydrophobicContact CG1-CG 4.47Å; V736-L740 WeakPolarHBondContact O-CG 3.19Å; V736-L740 PolarHBondContact O-N 3.13Å
737	L	73.9	Confident	67.7	Low	4 Å²	4	46.9 Å²	46.9	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-41.7	177.2	-72.1	170.2	0	0	0	111.1	V714 L733 V734 L740 F741 F769 F806 V810	V714-L737 HydrophobicContact CG1-CD2 3.69Å; V714-L737 HydrophobicContact CG1-CG 4.18Å; L733-L737 HydrophobicContact CD1-CD1 4.44Å; L733-L737 HydrophobicContact CD1-CG 4.41Å; L733-L737 HydrophobicContact CG-CD1 4.06Å; L733-L737 HydrophobicContact CG-CG 4.47Å; L733-L737 WeakPolarHBondContact O-CB 3.49Å; L733-L737 VanDerWaalsContact O-CG 3.3Å; L733-L737 WeakPolarHBondContact O-CG 3.26Å; L733-L737 PolarHBondContact O-N 3.4Å; V734-L737 PolarHBondContact O-N 3.49Å; L737-L740 PolarHBondContact O-N 3.47Å; L737-F741 WeakPolarHBondContact O-CB 3.43Å; L737-F741 PolarHBondContact O-N 3.36Å; L737-F769 HydrophobicContact CD2-CD2 4.24Å; L737-F769 HydrophobicContact CD2-CE2 3.59Å; L737-F769 HydrophobicContact CD2-CZ 4.08Å; L737-F806 HydrophobicContact CB-CE1 4.47Å; L737-F806 HydrophobicContact CB-CZ 4.03Å; L737-F806 WeakPolarHBondContact O-CZ 3.47Å; L737-V810 HydrophobicContact CD1-CG1 4.39Å
738	S	72.1	Confident	66.6	Low	11 Å²	11	49.1 Å²	49.1	8%	0.077	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-40.2	175.3	-61.8	0	0	0	0	112.2	V734 D735 V736 F741 R742 F806	V734-S738 WeakPolarHBondContact O-CB 3.46Å; V734-S738 PolarHBondContact O-N 2.92Å; V734-S738 PolarHBondContact O-OG 3.2Å; D735-S738 PolarHBondContact O-N 2.65Å; V736-S738 VanDerWaalsContact C-N 3.32Å; V736-S738 PolarHBondContact O-N 3.04Å; S738-F741 PolarHBondContact O-N 3.44Å; S738-R742 VanDerWaalsContact O-CG 3.3Å; S738-R742 WeakPolarHBondContact O-CG 3.13Å; S738-R742 PolarHBondContact O-N 3.23Å; S738-F806 VanDerWaalsContact CA-CE1 3.49Å
739	L	73.3	Confident	65.5	Low	94 Å²	94	54.9 Å²	54.9	49%	0.492	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-44.2	173.5	-174.5	73.6	0	0	0	111.6	D735 V736 R742 K743	D735-L739 WeakPolarHBondContact O-CB 3.27Å; D735-L739 PolarHBondContact O-N 3.19Å; V736-L739 WeakPolarHBondContact O-CB 3.44Å; V736-L739 PolarHBondContact O-N 3.27Å; L739-R742 PolarHBondContact O-N 3.35Å; L739-K743 WeakPolarHBondContact O-CG 3.22Å; L739-K743 PolarHBondContact O-N 3.49Å
740	L	74.6	Confident	64.4	Low	3 Å²	3	55.8 Å²	55.8	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-43.4	177.3	-74.5	174.4	0	0	0	111.6	L698 F707 V714 V736 L737 R742 K743 H744 F769	L698-L740 HydrophobicContact CD2-CD1 4.11Å; L698-L740 HydrophobicContact CD2-CD2 3.91Å; L698-L740 HydrophobicContact CD2-CG 4.39Å; F707-L740 HydrophobicContact CE1-CD2 4.39Å; F707-L740 HydrophobicContact CE2-CD2 3.67Å; F707-L740 HydrophobicContact CZ-CD2 3.36Å; V714-L740 HydrophobicContact CG1-CD1 3.93Å; V736-L740 HydrophobicContact CG1-CD1 4.21Å; V736-L740 HydrophobicContact CG1-CG 4.47Å; V736-L740 WeakPolarHBondContact O-CG 3.19Å; V736-L740 PolarHBondContact O-N 3.13Å; L737-L740 PolarHBondContact O-N 3.47Å; L740-R742 PolarHBondContact O-N 2.88Å; L740-K743 WeakPolarHBondContact O-CB 3.49Å; L740-K743 PolarHBondContact O-N 2.91Å; L740-H744 PolarHBondContact O-CD2 3.23Å; L740-H744 PolarHBondContact O-N 3.49Å; L740-F769 HydrophobicContact CB-CD1 4.49Å; L740-F769 HydrophobicContact CB-CE1 3.52Å; L740-F769 HydrophobicContact CB-CZ 3.91Å; L740-F769 HydrophobicContact CD1-CE1 4.37Å
741	F	73.9	Confident	63.6	Low	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-49.7	173	-179.5	-95.6	0	0	0	110.8	L737 S738 K743 H744 V745 C773 I776 V777 K802 H803 F806	L737-F741 WeakPolarHBondContact O-CB 3.43Å; L737-F741 PolarHBondContact O-N 3.36Å; S738-F741 PolarHBondContact O-N 3.44Å; F741-K743 VanDerWaalsContact C-N 3.3Å; F741-K743 PolarHBondContact O-N 2.74Å; F741-H744 PolarHBondContact O-N 3.38Å; F741-V745 HydrophobicContact CD1-CB 4.4Å; F741-V745 HydrophobicContact CD1-CG2 4.42Å; F741-V745 HydrophobicContact CD2-CG2 3.95Å; F741-V745 HydrophobicContact CE1-CB 4.2Å; F741-V745 HydrophobicContact CE1-CG1 4.01Å; F741-V745 HydrophobicContact CE1-CG2 4.29Å; F741-V745 HydrophobicContact CE2-CG2 3.8Å; F741-V745 HydrophobicContact CG-CG2 4.27Å; F741-V745 HydrophobicContact CZ-CB 4.29Å; F741-V745 HydrophobicContact CZ-CG1 3.97Å; F741-V745 HydrophobicContact CZ-CG2 3.98Å; F741-V745 WeakPolarHBondContact O-CB 3.32Å; F741-V745 VanDerWaalsContact O-CG2 3.24Å; F741-V745 WeakPolarHBondContact O-CG2 3.26Å; F741-V745 PolarHBondContact O-N 3.32Å; F741-C773 HydrophobicContact CD2-CB 3.74Å; F741-C773 VanDerWaalsContact CD2-SG 3.59Å; F741-C773 HydrophobicContact CE2-CB 4.02Å; F741-I776 HydrophobicContact CE2-CB 4.19Å; F741-I776 HydrophobicContact CE2-CG2 4.05Å; F741-I776 HydrophobicContact CZ-CG2 4.03Å; F741-V777 HydrophobicContact CZ-CG2 4.37Å; F741-K802 HydrophobicContact CE1-CG 4.43Å; F741-K802 HydrophobicContact CZ-CB 4.43Å; F741-K802 HydrophobicContact CZ-CG 4.45Å; F741-H803 AromaticContact CD1-CD2 3.75Å; F741-H803 AromaticContact CE1-CD2 3.63Å; F741-H803 AromaticContact CE1-NE2 3.92Å; F741-F806 HydrophobicContact CB-CD1 4.13Å; F741-F806 HydrophobicContact CB-CD2 3.93Å; F741-F806 HydrophobicContact CB-CE1 3.88Å; F741-F806 HydrophobicContact CB-CE2 3.63Å; F741-F806 HydrophobicContact CB-CG 4.17Å; F741-F806 HydrophobicContact CB-CZ 3.62Å; F741-F806 HydrophobicContact CD1-CB 4.3Å; F741-F806 HydrophobicContact CD1-CD1 4.39Å; F741-F806 HydrophobicContact CD1-CD2 4.34Å; F741-F806 HydrophobicContact CD1-CG 4.08Å; F741-F806 HydrophobicContact CD2-CB 4.24Å; F741-F806 AromaticContact CD2-CD2 3.17Å; F741-F806 HydrophobicContact CD2-CD2 3.17Å; F741-F806 AromaticContact CD2-CE2 3.55Å; F741-F806 HydrophobicContact CD2-CE2 3.55Å; F741-F806 AromaticContact CD2-CG 3.73Å; F741-F806 HydrophobicContact CD2-CG 3.73Å; F741-F806 HydrophobicContact CD2-CZ 4.38Å; F741-F806 HydrophobicContact CE1-CB 4.16Å; F741-F806 HydrophobicContact CE1-CG 4.41Å; F741-F806 HydrophobicContact CE2-CB 4.09Å; F741-F806 AromaticContact CE2-CD2 3.67Å; F741-F806 HydrophobicContact CE2-CD2 3.67Å; F741-F806 HydrophobicContact CE2-CE2 4.44Å; F741-F806 HydrophobicContact CE2-CG 4.08Å; F741-F806 HydrophobicContact CG-CB 4.34Å; F741-F806 HydrophobicContact CG-CD1 4.11Å; F741-F806 AromaticContact CG-CD2 3.57Å; F741-F806 HydrophobicContact CG-CD2 3.57Å; F741-F806 HydrophobicContact CG-CE1 4.35Å; F741-F806 AromaticContact CG-CE2 3.81Å; F741-F806 HydrophobicContact CG-CE2 3.81Å; F741-F806 AromaticContact CG-CG 3.73Å; F741-F806 HydrophobicContact CG-CG 3.73Å; F741-F806 HydrophobicContact CG-CZ 4.2Å; F741-F806 HydrophobicContact CZ-CB 4.05Å; F741-F806 HydrophobicContact CZ-CD2 4.42Å; F741-F806 HydrophobicContact CZ-CG 4.41Å
742	R	71.8	Confident	62.8	Low	133 Å²	133	63.6 Å²	63.6	50%	0.502	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-38.3	177.3	-71.3	173.6	-169.4	177	6.8	112.6	S738 L739 L740 T746 E807	S738-R742 VanDerWaalsContact O-CG 3.3Å; S738-R742 WeakPolarHBondContact O-CG 3.13Å; S738-R742 PolarHBondContact O-N 3.23Å; L739-R742 PolarHBondContact O-N 3.35Å; L740-R742 PolarHBondContact O-N 2.88Å; R742-T746 PolarHBondContact O-N 3.4Å; R742-T746 VanDerWaalsContact O-N 3.16Å; R742-E807 IonicContact NH2-OE1 2.79Å
743	K	70.5	Confident	61.7	Low	72 Å²	72	67.5 Å²	67.5	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-44.8	175.8	-78.3	-176.3	176.2	-174.5	0	112.1	L698 F707 L739 L740 F741	L698-K743 PolarHBondContact O-NZ 2.85Å; F707-K743 HydrophobicContact CE2-CD 4.24Å; F707-K743 HydrophobicContact CZ-CD 4.43Å; L739-K743 WeakPolarHBondContact O-CG 3.22Å; L739-K743 PolarHBondContact O-N 3.49Å; L740-K743 WeakPolarHBondContact O-CB 3.49Å; L740-K743 PolarHBondContact O-N 2.91Å; F741-K743 VanDerWaalsContact C-N 3.3Å; F741-K743 PolarHBondContact O-N 2.74Å
744	H	68.7	Low	60.7	Low	20 Å²	20	69.3 Å²	69.3	9%	0.093	35%	0.354	C	S	.	.	H	α-helix	trans	-71.4	-35.7	178.2	-77.2	-54.2	0	0	0	113.1	E711 L740 F741 F769	E711-H744 IonicContact OE1-CD2 3.98Å; E711-H744 IonicContact OE1-CE1 3.82Å; E711-H744 PolarHBondContact OE1-CE1 3.5Å; E711-H744 IonicContact OE1-NE2 3.44Å; E711-H744 PolarHBondContact OE1-NE2 3.13Å; E711-H744 IonicContact OE2-NE2 2.63Å; L740-H744 PolarHBondContact O-CD2 3.23Å; L740-H744 PolarHBondContact O-N 3.49Å; F741-H744 PolarHBondContact O-N 3.38Å; H744-F769 AromaticContact CD2-CD1 3.99Å; H744-F769 AromaticContact CD2-CE1 3.98Å
745	V	64.8	Low	59.6	Low	1 Å²	1	69.8 Å²	69.8	1%	0.006	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	15.3	-165	-179.7	0	0	0	0	112.5	F741 D747 C773 V777 K802	F741-V745 HydrophobicContact CD1-CB 4.4Å; F741-V745 HydrophobicContact CD1-CG2 4.42Å; F741-V745 HydrophobicContact CD2-CG2 3.95Å; F741-V745 HydrophobicContact CE1-CB 4.2Å; F741-V745 HydrophobicContact CE1-CG1 4.01Å; F741-V745 HydrophobicContact CE1-CG2 4.29Å; F741-V745 HydrophobicContact CE2-CG2 3.8Å; F741-V745 HydrophobicContact CG-CG2 4.27Å; F741-V745 HydrophobicContact CZ-CB 4.29Å; F741-V745 HydrophobicContact CZ-CG1 3.97Å; F741-V745 HydrophobicContact CZ-CG2 3.98Å; F741-V745 WeakPolarHBondContact O-CB 3.32Å; F741-V745 VanDerWaalsContact O-CG2 3.24Å; F741-V745 WeakPolarHBondContact O-CG2 3.26Å; F741-V745 PolarHBondContact O-N 3.32Å; V745-D747 PolarHBondContact O-N 3.13Å; V745-C773 HydrophobicContact CG2-CB 4.01Å; V745-V777 HydrophobicContact CB-CG2 4.36Å; V745-V777 HydrophobicContact CG1-CG2 3.44Å; V745-V777 VanDerWaalsContact CG1-CG2 3.44Å; V745-V777 HydrophobicContact CG2-CG2 3.89Å; V745-K802 HydrophobicContact CG1-CD 3.6Å; V745-K802 VanDerWaalsContact CG1-NZ 3.35Å; V745-K802 PolarHBondContact O-NZ 3.11Å
746	T	58.3	Low	58.3	Low	83 Å²	83	66.4 Å²	66.4	51%	0.509	34%	0.344	S	S	.	.			trans	-21.2	128	179.4	42.1	0	0	0	0	112.9	R742 C748	R742-T746 PolarHBondContact O-N 3.4Å; R742-T746 VanDerWaalsContact O-N 3.16Å; T746-C748 PolarHBondContact O-N 3.4Å
747	D	48.3	Very low	56.7	Low	128 Å²	128	70.4 Å²	70.4	68%	0.684	36%	0.364	S	S	*	.	S	Bend	trans	-63.9	7.9	-170.8	-82.1	-28.2	0	0	0	115.6	V745 K749 K802 H803	V745-D747 PolarHBondContact O-N 3.13Å; D747-K749 PolarHBondContact O-N 2.99Å; D747-K802 WeakPolarHBondContact OD1-CE 3.47Å; D747-K802 IonicContact OD1-NZ 3.99Å; D747-K802 PolarHBondContact OD1-NZ 2.9Å; D747-H803 IonicContact OD1-CE1 3.75Å
748	C	37	Very low	55.2	Low	100 Å²	100	74.4 Å²	74.4	68%	0.676	38%	0.381	S	S	*	.	S	Bend	trans	-80.3	104.5	178.4	-64.5	0	0	0	0	111.8	T746 L750	T746-C748 PolarHBondContact O-N 3.4Å; C748-L750 PolarHBondContact O-N 3.29Å
749	K	40.3	Very low	53.5	Low	210 Å²	210	76 Å²	76	91%	0.913	39%	0.388	S	S	*	.			trans	22.7	68.3	149	-63.7	-178.5	-179.1	176.5	0	116	D747 S751	D747-K749 PolarHBondContact O-N 2.99Å; K749-S751 PolarHBondContact O-N 3.11Å
750	L	44.2	Very low	51.6	Low	43 Å²	43	73.9 Å²	73.9	23%	0.225	38%	0.381	C	S	.	.			trans	-66.9	99.7	168.3	-69.2	158.1	0	0	0	109.4	C748 S754 I755 W774 V777 K781	C748-L750 PolarHBondContact O-N 3.29Å; L750-S754 WeakPolarHBondContact CD2-OG 3.34Å; L750-I755 HydrophobicContact CB-CD1 3.76Å; L750-I755 HydrophobicContact CB-CG1 3.99Å; L750-I755 HydrophobicContact CD1-CD1 4.16Å; L750-I755 HydrophobicContact CD1-CG1 4.4Å; L750-I755 HydrophobicContact CD2-CG1 4.26Å; L750-I755 HydrophobicContact CG-CD1 4.46Å; L750-I755 HydrophobicContact CG-CG1 4.46Å; L750-W774 HydrophobicContact CD1-CH2 3.96Å; L750-W774 HydrophobicContact CD1-CZ3 3.58Å; L750-W774 HydrophobicContact CD2-CH2 3.69Å; L750-W774 HydrophobicContact CD2-CZ3 3.98Å; L750-W774 HydrophobicContact CG-CH2 4.47Å; L750-W774 HydrophobicContact CG-CZ3 4.43Å; L750-V777 HydrophobicContact CD1-CG1 4.39Å; L750-K781 PolarHBondContact O-NZ 3.02Å
751	S	46.2	Very low	49.6	Very low	69 Å²	69	77.5 Å²	77.5	48%	0.483	40%	0.4	S	S	.	.			trans	-60.4	155.9	167	69.7	0	0	0	0	109.6	K749 E753 S754	K749-S751 PolarHBondContact O-N 3.11Å; S751-E753 PolarHBondContact O-N 2.87Å; S751-S754 PolarHBondContact O-N 3.34Å; S751-S754 PolarHBondContact O-OG 3.47Å
752	K	46.8	Very low	47.6	Very low	157 Å²	157	82.1 Å²	82.1	68%	0.683	43%	0.432	S	S	*	.	H	α-helix	trans	-56.2	-34.9	-175	-76.3	-180	-179.9	175.4	0	112.7	A756 R785	K752-A756 PolarHBondContact O-N 3.14Å; K752-R785 VanDerWaalsContact CE-NH2 3.31Å
753	E	47.2	Very low	46.1	Very low	146 Å²	146	78.6 Å²	78.6	68%	0.682	44%	0.438	S	S	*	.	H	α-helix	trans	-70.1	-36.2	-177	-73.9	167.4	165.5	0	0	112.9	S751 I755 N757	S751-E753 PolarHBondContact O-N 2.87Å; E753-I755 VanDerWaalsContact C-N 3.31Å; E753-I755 PolarHBondContact O-N 3.47Å; E753-N757 VanDerWaalsContact O-CB 3.28Å; E753-N757 WeakPolarHBondContact O-CB 3.2Å; E753-N757 VanDerWaalsContact O-CG 3.22Å; E753-N757 PolarHBondContact O-N 3.38Å; E753-N757 PolarHBondContact O-ND2 2.96Å
754	S	49.6	Very low	44.6	Very low	39 Å²	39	80.5 Å²	80.5	27%	0.273	46%	0.46	S	S	.	.	H	α-helix	trans	-69.6	-30.9	-177.4	85.7	0	0	0	0	112.6	L750 S751 K758	L750-S754 WeakPolarHBondContact CD2-OG 3.34Å; S751-S754 PolarHBondContact O-N 3.34Å; S751-S754 PolarHBondContact O-OG 3.47Å; S754-K758 VanDerWaalsContact O-CB 3.31Å; S754-K758 WeakPolarHBondContact O-CB 3.39Å; S754-K758 WeakPolarHBondContact O-CG 3.48Å; S754-K758 PolarHBondContact O-N 2.91Å
755	I	44.2	Very low	43.1	Very low	22 Å²	22	89.5 Å²	89.5	11%	0.113	49%	0.493	C	S	.	.	H	α-helix	trans	-74.9	-47.8	179.7	-69.4	176.7	0	0	0	110.3	L750 E753 N757 K758 M759 K781	L750-I755 HydrophobicContact CB-CD1 3.76Å; L750-I755 HydrophobicContact CB-CG1 3.99Å; L750-I755 HydrophobicContact CD1-CD1 4.16Å; L750-I755 HydrophobicContact CD1-CG1 4.4Å; L750-I755 HydrophobicContact CD2-CG1 4.26Å; L750-I755 HydrophobicContact CG-CD1 4.46Å; L750-I755 HydrophobicContact CG-CG1 4.46Å; E753-I755 VanDerWaalsContact C-N 3.31Å; E753-I755 PolarHBondContact O-N 3.47Å; I755-N757 VanDerWaalsContact C-N 3.32Å; I755-N757 PolarHBondContact O-N 3.32Å; I755-K758 PolarHBondContact O-N 3.17Å; I755-M759 HydrophobicContact CG2-CE 3.43Å; I755-M759 VanDerWaalsContact CG2-CE 3.43Å; I755-M759 HydrophobicContact CG2-CG 4.26Å; I755-M759 HydrophobicContact CG2-SD 3.43Å; I755-M759 WeakPolarHBondContact CG2-SD 3.35Å; I755-M759 VanDerWaalsContact O-CB 3.23Å; I755-M759 WeakPolarHBondContact O-CB 3.44Å; I755-M759 WeakPolarHBondContact O-CG 3.41Å; I755-M759 PolarHBondContact O-N 2.89Å; I755-K781 HydrophobicContact CD1-CD 3.76Å
756	A	44.3	Very low	42.3	Very low	41 Å²	41	90.9 Å²	90.9	34%	0.339	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-45.8	175.9	0	0	0	0	0	110.3	K752 K758 M759 S760	K752-A756 PolarHBondContact O-N 3.14Å; A756-K758 PolarHBondContact O-N 3.45Å; A756-M759 PolarHBondContact O-N 2.92Å; A756-S760 WeakPolarHBondContact O-CA 3.49Å; A756-S760 WeakPolarHBondContact O-CB 3.43Å; A756-S760 PolarHBondContact O-N 3.05Å; A756-S760 PolarHBondContact O-OG 2.99Å; A756-S760 VanDerWaalsContact O-OG 3.11Å
757	N	41.1	Very low	42.1	Very low	103 Å²	103	88.8 Å²	88.8	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-67.3	-35.6	179.7	-71.3	-11.6	0	0	0	113.5	E753 I755 S760 L761	E753-N757 VanDerWaalsContact O-CB 3.28Å; E753-N757 WeakPolarHBondContact O-CB 3.2Å; E753-N757 VanDerWaalsContact O-CG 3.22Å; E753-N757 PolarHBondContact O-N 3.38Å; E753-N757 PolarHBondContact O-ND2 2.96Å; I755-N757 VanDerWaalsContact C-N 3.32Å; I755-N757 PolarHBondContact O-N 3.32Å; N757-S760 PolarHBondContact O-OG 2.99Å; N757-L761 WeakPolarHBondContact O-CG 3.31Å
758	K	42.4	Very low	42.6	Very low	87 Å²	87	87 Å²	87	38%	0.378	48%	0.479	S	S	.	.	H	α-helix	trans	-74.8	-34.8	174.8	-79.1	-163.8	173	-160.6	0	112.5	S754 I755 A756 N766 W774	S754-K758 VanDerWaalsContact O-CB 3.31Å; S754-K758 WeakPolarHBondContact O-CB 3.39Å; S754-K758 WeakPolarHBondContact O-CG 3.48Å; S754-K758 PolarHBondContact O-N 2.91Å; I755-K758 PolarHBondContact O-N 3.17Å; A756-K758 PolarHBondContact O-N 3.45Å; K758-N766 PolarHBondContact O-ND2 2.94Å; K758-W774 HydrophobicContact CD-CZ2 3.76Å
759	M	36	Very low	43.9	Very low	44 Å²	44	82.5 Å²	82.5	22%	0.217	45%	0.448	C	S	.	.	H	α-helix	trans	-76.6	-32.7	177.5	-70.2	176.2	-179.7	0	0	112.3	I755 A756 L761 W774 A778 L878 V879	I755-M759 HydrophobicContact CG2-CE 3.43Å; I755-M759 VanDerWaalsContact CG2-CE 3.43Å; I755-M759 HydrophobicContact CG2-CG 4.26Å; I755-M759 HydrophobicContact CG2-SD 3.43Å; I755-M759 WeakPolarHBondContact CG2-SD 3.35Å; I755-M759 VanDerWaalsContact O-CB 3.23Å; I755-M759 WeakPolarHBondContact O-CB 3.44Å; I755-M759 WeakPolarHBondContact O-CG 3.41Å; I755-M759 PolarHBondContact O-N 2.89Å; A756-M759 PolarHBondContact O-N 2.92Å; M759-L761 VanDerWaalsContact C-N 3.26Å; M759-L761 PolarHBondContact O-N 3.38Å; M759-W774 HydrophobicContact CE-CB 3.82Å; M759-W774 HydrophobicContact CE-CE3 4.41Å; M759-W774 VanDerWaalsContact CE-O 3.26Å; M759-W774 WeakPolarHBondContact CE-O 3.44Å; M759-A778 HydrophobicContact CE-CB 3.76Å; M759-L878 VanDerWaalsContact O-O 3.09Å; M759-V879 HydrophobicContact CB-CG2 4.45Å
760	S	33.4	Very low	44.9	Very low	50 Å²	50	73.7 Å²	73.7	35%	0.35	41%	0.41	S	S	.	.	S	Bend	trans	-76.8	-6.3	179.7	75	0	0	0	0	114.2	A756 N757 S762	A756-S760 WeakPolarHBondContact O-CA 3.49Å; A756-S760 WeakPolarHBondContact O-CB 3.43Å; A756-S760 PolarHBondContact O-N 3.05Å; A756-S760 PolarHBondContact O-OG 2.99Å; A756-S760 VanDerWaalsContact O-OG 3.11Å; N757-S760 PolarHBondContact O-OG 2.99Å; S760-S762 PolarHBondContact O-N 3.37Å
761	L	32.1	Very low	45.6	Very low	80 Å²	80	72.9 Å²	72.9	42%	0.419	41%	0.405	S	S	.	.	S	Bend	trans	-72.5	85.8	176.3	-78.8	164.6	0	0	0	108.8	N757 M759 G763	N757-L761 WeakPolarHBondContact O-CG 3.31Å; M759-L761 VanDerWaalsContact C-N 3.26Å; M759-L761 PolarHBondContact O-N 3.38Å; L761-G763 PolarHBondContact O-N 3.47Å
762	S	33.2	Very low	46.4	Very low	96 Å²	96	69.9 Å²	69.9	67%	0.671	38%	0.384	S	S	*	.			trans	-41.5	114.8	176.2	55.3	0	0	0	0	112.8	S760 S764	S760-S762 PolarHBondContact O-N 3.37Å; S762-S764 VanDerWaalsContact C-N 3.3Å; S762-S764 PolarHBondContact O-N 3.42Å
763	G	38.7	Very low	47.3	Very low	60 Å²	60	62.4 Å²	62.4	62%	0.619	35%	0.351	S	S	*	.	S	Bend	trans	68.9	-29.9	143.2	0	0	0	0	0	120.6	L761	L761-G763 PolarHBondContact O-N 3.47Å
764	S	40.6	Very low	48	Very low	111 Å²	111	55.9 Å²	55.9	78%	0.776	32%	0.32	S	S	*	.	S	Bend	trans	-121.1	-20.5	-168.1	68.7	0	0	0	0	116.3	S762	S762-S764 VanDerWaalsContact C-N 3.3Å; S762-S764 PolarHBondContact O-N 3.42Å
765	R	37.6	Very low	48.5	Very low	209 Å²	209	55.1 Å²	55.1	79%	0.789	32%	0.315	S	S	*	.	S	Bend	trans	-100	-29.9	-174	-78	-170.6	176.3	-170.4	-0.3	115.5
766	N	46.5	Very low	49.5	Very low	30 Å²	30	54.4 Å²	54.4	16%	0.16	31%	0.311	C	S	.	.	S	Bend	trans	-95.7	132.2	-177.3	-62.1	-4.8	0	0	0	110.5	K758 Q771	K758-N766 PolarHBondContact O-ND2 2.94Å; N766-Q771 HydrophobicContact CB-CG 4.13Å
767	G	54.7	Low	50.4	Low	39 Å²	39	52.7 Å²	52.7	40%	0.402	30%	0.296	S	S	.	.			trans	-65.2	151.8	174.9	0	0	0	0	0	111.9	F769 E770 Q771	G767-F769 PolarHBondContact O-N 3.03Å; G767-F769 VanDerWaalsContact O-N 3.13Å; G767-E770 PolarHBondContact O-N 2.96Å; G767-Q771 PolarHBondContact O-N 3.3Å; G767-Q771 VanDerWaalsContact O-N 3.11Å
768	R	58.4	Low	51.3	Low	92 Å²	92	49.2 Å²	49.2	35%	0.347	28%	0.282	S	S	.	.	H	α-helix	trans	-52.1	-36.1	178.6	-69.6	-178.7	-179.1	167	-10.6	112.6	E716 L719 F772 P882	E716-R768 VanDerWaalsContact CD-NH1 3.32Å; E716-R768 VanDerWaalsContact OE1-CD 3.28Å; E716-R768 WeakPolarHBondContact OE1-CD 3.44Å; E716-R768 IonicContact OE1-CZ 3.32Å; E716-R768 IonicContact OE1-NE 2.83Å; E716-R768 IonicContact OE1-NH1 3.38Å; E716-R768 PolarHBondContact OE1-NH1 3.07Å; E716-R768 IonicContact OE2-NH1 3.64Å; E716-R768 PolarHBondContact OE2-NH1 2.99Å; E716-R768 VanDerWaalsContact OE2-NH1 3.1Å; L719-R768 HydrophobicContact CD1-CB 4.08Å; R768-F772 WeakPolarHBondContact O-CB 3.27Å; R768-F772 PolarHBondContact O-N 3.5Å; R768-P882 HydrophobicContact CG-CG 4.34Å
769	F	63.6	Low	52	Low	5 Å²	5	46 Å²	46	2%	0.022	27%	0.27	C	S	.	.	H	α-helix	trans	-69.6	-42.3	176.3	-175.3	-103.3	0	0	0	113.8	E711 A715 L737 L740 H744 G767 Q771 F772 C773 F806	E711-F769 HydrophobicContact CG-CD1 4.48Å; A715-F769 HydrophobicContact CB-CB 3.4Å; A715-F769 HydrophobicContact CB-CD2 4.28Å; A715-F769 HydrophobicContact CB-CG 4.03Å; L737-F769 HydrophobicContact CD2-CD2 4.24Å; L737-F769 HydrophobicContact CD2-CE2 3.59Å; L737-F769 HydrophobicContact CD2-CZ 4.08Å; L740-F769 HydrophobicContact CB-CD1 4.49Å; L740-F769 HydrophobicContact CB-CE1 3.52Å; L740-F769 HydrophobicContact CB-CZ 3.91Å; L740-F769 HydrophobicContact CD1-CE1 4.37Å; H744-F769 AromaticContact CD2-CD1 3.99Å; H744-F769 AromaticContact CD2-CE1 3.98Å; G767-F769 PolarHBondContact O-N 3.03Å; G767-F769 VanDerWaalsContact O-N 3.13Å; F769-Q771 VanDerWaalsContact C-N 3.31Å; F769-Q771 PolarHBondContact O-N 3.48Å; F769-F772 HydrophobicContact CD2-CD1 4.21Å; F769-F772 HydrophobicContact CE2-CD1 4.19Å; F769-F772 CarbonylContact O-C 3.53Å; F769-F772 WeakPolarHBondContact O-CA 3.21Å; F769-F772 VanDerWaalsContact O-CB 3.28Å; F769-F772 WeakPolarHBondContact O-CB 3.49Å; F769-F772 PolarHBondContact O-N 3.04Å; F769-F772 VanDerWaalsContact O-N 3.13Å; F769-C773 WeakPolarHBondContact CE1-SG 3.47Å; F769-C773 VanDerWaalsContact CZ-SG 3.58Å; F769-C773 PolarHBondContact O-N 2.91Å; F769-C773 PolarHBondContact O-SG 3.36Å; F769-F806 HydrophobicContact CE2-CE2 4.29Å; F769-F806 HydrophobicContact CE2-CZ 4.42Å; F769-F806 HydrophobicContact CZ-CE2 4.19Å; F769-F806 HydrophobicContact CZ-CZ 4.21Å
770	E	62.3	Low	53.1	Low	25 Å²	25	44.8 Å²	44.8	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-44.2	176.9	-160.9	-163.8	164.3	0	0	110.4	G767 F772 C773 W774	G767-E770 PolarHBondContact O-N 2.96Å; E770-F772 VanDerWaalsContact C-N 3.29Å; E770-F772 PolarHBondContact O-N 3.45Å; E770-C773 WeakPolarHBondContact O-CB 3.19Å; E770-C773 PolarHBondContact O-N 3.14Å; E770-W774 PolarHBondContact O-N 3.34Å; E770-W774 PolarHBondContact OE1-NE1 3.41Å
771	Q	58.3	Low	54.4	Low	25 Å²	25	45.6 Å²	45.6	12%	0.117	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-43.3	173.4	-67.4	-179.4	-17.2	0	0	111.4	N766 G767 F769 W774 S775 F881	N766-Q771 HydrophobicContact CB-CG 4.13Å; G767-Q771 PolarHBondContact O-N 3.3Å; G767-Q771 VanDerWaalsContact O-N 3.11Å; F769-Q771 VanDerWaalsContact C-N 3.31Å; F769-Q771 PolarHBondContact O-N 3.48Å; Q771-W774 PolarHBondContact O-N 3.43Å; Q771-S775 PolarHBondContact O-N 3.1Å; Q771-S775 PolarHBondContact O-OG 3.22Å; Q771-F881 HydrophobicContact CB-CE1 4.02Å; Q771-F881 HydrophobicContact CB-CE2 4.23Å; Q771-F881 HydrophobicContact CB-CZ 3.64Å; Q771-F881 WeakPolarHBondContact O-CZ 3.37Å
772	F	63.3	Low	55.4	Low	7 Å²	7	46.4 Å²	46.4	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-49.6	174.3	171.4	-103.4	0	0	0	112	L719 R768 F769 E770 W774 S775 I776 F806 F809 A836	L719-F772 HydrophobicContact CD2-CB 4.31Å; L719-F772 HydrophobicContact CD2-CD1 4.26Å; L719-F772 HydrophobicContact CD2-CD2 3.98Å; L719-F772 HydrophobicContact CD2-CE2 4.44Å; L719-F772 HydrophobicContact CD2-CG 3.91Å; R768-F772 WeakPolarHBondContact O-CB 3.27Å; R768-F772 PolarHBondContact O-N 3.5Å; F769-F772 HydrophobicContact CD2-CD1 4.21Å; F769-F772 HydrophobicContact CE2-CD1 4.19Å; F769-F772 CarbonylContact O-C 3.53Å; F769-F772 WeakPolarHBondContact O-CA 3.21Å; F769-F772 VanDerWaalsContact O-CB 3.28Å; F769-F772 WeakPolarHBondContact O-CB 3.49Å; F769-F772 PolarHBondContact O-N 3.04Å; F769-F772 VanDerWaalsContact O-N 3.13Å; E770-F772 VanDerWaalsContact C-N 3.29Å; E770-F772 PolarHBondContact O-N 3.45Å; F772-W774 PolarHBondContact O-N 3.27Å; F772-S775 WeakPolarHBondContact O-CB 3.41Å; F772-S775 PolarHBondContact O-N 3.4Å; F772-I776 HydrophobicContact CD1-CD1 4.33Å; F772-I776 HydrophobicContact CE1-CD1 3.59Å; F772-I776 HydrophobicContact CE2-CD1 3.94Å; F772-I776 HydrophobicContact CE2-CG1 4.49Å; F772-I776 HydrophobicContact CZ-CD1 3.32Å; F772-I776 HydrophobicContact CZ-CG1 4.31Å; F772-I776 PolarHBondContact O-N 3.2Å; F772-F806 HydrophobicContact CD1-CE2 4.35Å; F772-F806 AromaticContact CE1-CD2 3.97Å; F772-F806 HydrophobicContact CE1-CD2 3.97Å; F772-F806 AromaticContact CE1-CE2 3.69Å; F772-F806 HydrophobicContact CE1-CE2 3.69Å; F772-F809 HydrophobicContact CD2-CZ 4.41Å; F772-F809 HydrophobicContact CE1-CD1 4.11Å; F772-F809 AromaticContact CE1-CE1 3.96Å; F772-F809 HydrophobicContact CE1-CE1 3.96Å; F772-F809 AromaticContact CE2-CD1 3.99Å; F772-F809 HydrophobicContact CE2-CD1 3.99Å; F772-F809 HydrophobicContact CE2-CD2 4.21Å; F772-F809 AromaticContact CE2-CE1 3.51Å; F772-F809 HydrophobicContact CE2-CE1 3.51Å; F772-F809 AromaticContact CE2-CE2 3.76Å; F772-F809 HydrophobicContact CE2-CE2 3.76Å; F772-F809 HydrophobicContact CE2-CG 4.29Å; F772-F809 AromaticContact CE2-CZ 3.36Å; F772-F809 HydrophobicContact CE2-CZ 3.36Å; F772-F809 AromaticContact CZ-CD1 3.26Å; F772-F809 HydrophobicContact CZ-CD1 3.26Å; F772-F809 HydrophobicContact CZ-CD2 4.16Å; F772-F809 AromaticContact CZ-CE1 3.11Å; F772-F809 HydrophobicContact CZ-CE1 3.11Å; F772-F809 HydrophobicContact CZ-CE2 4.04Å; F772-F809 AromaticContact CZ-CG 3.77Å; F772-F809 HydrophobicContact CZ-CG 3.77Å; F772-F809 AromaticContact CZ-CZ 3.52Å; F772-F809 HydrophobicContact CZ-CZ 3.52Å; F772-A836 HydrophobicContact CD2-CB 3.89Å; F772-A836 HydrophobicContact CE2-CB 4.28Å
773	C	66.2	Low	56.4	Low	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-46.8	175.7	-63.8	0	0	0	0	111.9	F741 V745 F769 E770 S775 I776 V777	F741-C773 HydrophobicContact CD2-CB 3.74Å; F741-C773 VanDerWaalsContact CD2-SG 3.59Å; F741-C773 HydrophobicContact CE2-CB 4.02Å; V745-C773 HydrophobicContact CG2-CB 4.01Å; F769-C773 WeakPolarHBondContact CE1-SG 3.47Å; F769-C773 VanDerWaalsContact CZ-SG 3.58Å; F769-C773 PolarHBondContact O-N 2.91Å; F769-C773 PolarHBondContact O-SG 3.36Å; E770-C773 WeakPolarHBondContact O-CB 3.19Å; E770-C773 PolarHBondContact O-N 3.14Å; C773-S775 VanDerWaalsContact C-N 3.29Å; C773-S775 PolarHBondContact O-N 3.06Å; C773-I776 PolarHBondContact O-N 3.07Å; C773-V777 WeakPolarHBondContact O-CG2 3.4Å; C773-V777 PolarHBondContact O-N 2.84Å; C773-V777 VanDerWaalsContact O-N 3.11Å
774	W	61.6	Low	57.1	Low	9 Å²	9	47.1 Å²	47.1	3%	0.034	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-31.4	-179.6	-75.4	121.5	0	0	0	112.9	L750 K758 M759 E770 Q771 F772 V777 A778	L750-W774 HydrophobicContact CD1-CH2 3.96Å; L750-W774 HydrophobicContact CD1-CZ3 3.58Å; L750-W774 HydrophobicContact CD2-CH2 3.69Å; L750-W774 HydrophobicContact CD2-CZ3 3.98Å; L750-W774 HydrophobicContact CG-CH2 4.47Å; L750-W774 HydrophobicContact CG-CZ3 4.43Å; K758-W774 HydrophobicContact CD-CZ2 3.76Å; M759-W774 HydrophobicContact CE-CB 3.82Å; M759-W774 HydrophobicContact CE-CE3 4.41Å; M759-W774 VanDerWaalsContact CE-O 3.26Å; M759-W774 WeakPolarHBondContact CE-O 3.44Å; E770-W774 PolarHBondContact O-N 3.34Å; E770-W774 PolarHBondContact OE1-NE1 3.41Å; Q771-W774 PolarHBondContact O-N 3.43Å; F772-W774 PolarHBondContact O-N 3.27Å; W774-V777 HydrophobicContact CE3-CB 4.18Å; W774-V777 HydrophobicContact CE3-CG1 4.25Å; W774-V777 HydrophobicContact CE3-CG2 4.31Å; W774-V777 HydrophobicContact CZ3-CG1 4.26Å; W774-V777 HydrophobicContact CZ3-CG2 4.49Å; W774-V777 PolarHBondContact O-N 3.33Å; W774-A778 WeakPolarHBondContact O-CB 3.37Å; W774-A778 PolarHBondContact O-N 2.9Å
775	S	60.2	Low	57.7	Low	22 Å²	22	49.3 Å²	49.3	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-45.6	174.1	-60.9	0	0	0	0	111.4	Q771 F772 C773 V777 A778 C779 F881	Q771-S775 PolarHBondContact O-N 3.1Å; Q771-S775 PolarHBondContact O-OG 3.22Å; F772-S775 WeakPolarHBondContact O-CB 3.41Å; F772-S775 PolarHBondContact O-N 3.4Å; C773-S775 VanDerWaalsContact C-N 3.29Å; C773-S775 PolarHBondContact O-N 3.06Å; S775-V777 VanDerWaalsContact C-N 3.29Å; S775-V777 PolarHBondContact O-N 3.44Å; S775-A778 WeakPolarHBondContact O-CB 3.32Å; S775-A778 PolarHBondContact O-N 3.44Å; S775-C779 PolarHBondContact O-N 3.47Å; S775-C779 PolarHBondContact O-SG 2.84Å; S775-F881 WeakPolarHBondContact OG-CE2 3.29Å; S775-F881 WeakPolarHBondContact OG-CZ 3.47Å
776	I	65.4	Low	58.3	Low	8 Å²	8	40.7 Å²	40.7	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-43.5	174.4	-69.5	172.3	0	0	0	110.7	F741 F772 C773 C779 V780 K802 L805 F806	F741-I776 HydrophobicContact CE2-CB 4.19Å; F741-I776 HydrophobicContact CE2-CG2 4.05Å; F741-I776 HydrophobicContact CZ-CG2 4.03Å; F772-I776 HydrophobicContact CD1-CD1 4.33Å; F772-I776 HydrophobicContact CE1-CD1 3.59Å; F772-I776 HydrophobicContact CE2-CD1 3.94Å; F772-I776 HydrophobicContact CE2-CG1 4.49Å; F772-I776 HydrophobicContact CZ-CD1 3.32Å; F772-I776 HydrophobicContact CZ-CG1 4.31Å; F772-I776 PolarHBondContact O-N 3.2Å; C773-I776 PolarHBondContact O-N 3.07Å; I776-C779 PolarHBondContact O-N 3.37Å; I776-V780 PolarHBondContact O-N 3.16Å; I776-K802 WeakPolarHBondContact CG2-O 3.45Å; I776-L805 HydrophobicContact CG2-CB 4.29Å; I776-L805 HydrophobicContact CG2-CD2 4.04Å; I776-L805 HydrophobicContact CG2-CG 4.17Å; I776-F806 HydrophobicContact CD1-CB 4.13Å; I776-F806 HydrophobicContact CD1-CD2 3.61Å; I776-F806 HydrophobicContact CD1-CG 4.33Å; I776-F806 HydrophobicContact CG2-CB 4.33Å
777	V	63.7	Low	58.6	Low	4 Å²	4	49 Å²	49	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-44.7	176.7	175.5	0	0	0	0	112	F741 V745 L750 C773 W774 S775 C779 V780 K781 K802	F741-V777 HydrophobicContact CZ-CG2 4.37Å; V745-V777 HydrophobicContact CB-CG2 4.36Å; V745-V777 HydrophobicContact CG1-CG2 3.44Å; V745-V777 VanDerWaalsContact CG1-CG2 3.44Å; V745-V777 HydrophobicContact CG2-CG2 3.89Å; L750-V777 HydrophobicContact CD1-CG1 4.39Å; C773-V777 WeakPolarHBondContact O-CG2 3.4Å; C773-V777 PolarHBondContact O-N 2.84Å; C773-V777 VanDerWaalsContact O-N 3.11Å; W774-V777 HydrophobicContact CE3-CB 4.18Å; W774-V777 HydrophobicContact CE3-CG1 4.25Å; W774-V777 HydrophobicContact CE3-CG2 4.31Å; W774-V777 HydrophobicContact CZ3-CG1 4.26Å; W774-V777 HydrophobicContact CZ3-CG2 4.49Å; W774-V777 PolarHBondContact O-N 3.33Å; S775-V777 VanDerWaalsContact C-N 3.29Å; S775-V777 PolarHBondContact O-N 3.44Å; V777-C779 VanDerWaalsContact C-N 3.32Å; V777-C779 PolarHBondContact O-N 2.88Å; V777-V780 PolarHBondContact O-N 3.36Å; V777-K781 HydrophobicContact CG1-CD 4.47Å; V777-K781 WeakPolarHBondContact O-CG 3.45Å; V777-K781 PolarHBondContact O-N 3.19Å; V777-K781 VanDerWaalsContact O-N 3.09Å; V777-K802 HydrophobicContact CG2-CD 4.32Å
778	A	58.6	Low	58.5	Low	30 Å²	30	52.1 Å²	52.1	25%	0.248	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-45.8	178.5	0	0	0	0	0	110.8	M759 W774 S775 V780 K781 V782	M759-A778 HydrophobicContact CE-CB 3.76Å; W774-A778 WeakPolarHBondContact O-CB 3.37Å; W774-A778 PolarHBondContact O-N 2.9Å; S775-A778 WeakPolarHBondContact O-CB 3.32Å; S775-A778 PolarHBondContact O-N 3.44Å; A778-V780 PolarHBondContact O-N 3.33Å; A778-K781 PolarHBondContact O-N 2.75Å; A778-V782 WeakPolarHBondContact O-CG2 3.47Å; A778-V782 PolarHBondContact O-N 3.13Å
779	C	58.3	Low	58.3	Low	20 Å²	20	52.5 Å²	52.5	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-49.3	-179.4	-65.3	0	0	0	0	111.7	S775 I776 V777 K781 V782 T783 L805 I834	S775-C779 PolarHBondContact O-N 3.47Å; S775-C779 PolarHBondContact O-SG 2.84Å; I776-C779 PolarHBondContact O-N 3.37Å; V777-C779 VanDerWaalsContact C-N 3.32Å; V777-C779 PolarHBondContact O-N 2.88Å; C779-K781 PolarHBondContact O-N 3.39Å; C779-V782 PolarHBondContact O-N 3.21Å; C779-T783 WeakPolarHBondContact O-CG2 3.49Å; C779-T783 PolarHBondContact O-N 2.88Å; C779-T783 PolarHBondContact O-OG1 3.12Å; C779-L805 HydrophobicContact CB-CD2 4.44Å; C779-I834 HydrophobicContact CB-CD1 3.68Å; C779-I834 HydrophobicContact CB-CG1 4.23Å; C779-I834 WeakPolarHBondContact SG-CD1 3.49Å; C779-I834 WeakPolarHBondContact SG-CG1 3.34Å
780	V	59.6	Low	57.9	Low	18 Å²	18	54.8 Å²	54.8	11%	0.109	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-26.4	176.6	177.6	0	0	0	0	112.6	I776 V777 A778 T783 K784 K802 L805	I776-V780 PolarHBondContact O-N 3.16Å; V777-V780 PolarHBondContact O-N 3.36Å; A778-V780 PolarHBondContact O-N 3.33Å; V780-T783 WeakPolarHBondContact CA-OG1 3.47Å; V780-T783 PolarHBondContact O-OG1 3.21Å; V780-K784 WeakPolarHBondContact O-CG 3.23Å; V780-K802 HydrophobicContact CB-CB 4.23Å; V780-K802 HydrophobicContact CG1-CB 4.34Å; V780-K802 HydrophobicContact CG2-CB 4.08Å; V780-L805 HydrophobicContact CG2-CB 4.49Å; V780-L805 HydrophobicContact CG2-CD2 3.87Å
781	K	59.1	Low	57.4	Low	67 Å²	67	57.3 Å²	57.3	29%	0.291	31%	0.305	S	S	.	.	H	α-helix	trans	-80.2	-41.6	176.4	-77.7	-165.6	177.6	-160.9	0	113.5	L750 I755 V777 A778 C779 T783 K784 R785	L750-K781 PolarHBondContact O-NZ 3.02Å; I755-K781 HydrophobicContact CD1-CD 3.76Å; V777-K781 HydrophobicContact CG1-CD 4.47Å; V777-K781 WeakPolarHBondContact O-CG 3.45Å; V777-K781 PolarHBondContact O-N 3.19Å; V777-K781 VanDerWaalsContact O-N 3.09Å; A778-K781 PolarHBondContact O-N 2.75Å; C779-K781 PolarHBondContact O-N 3.39Å; K781-T783 PolarHBondContact O-N 3.35Å; K781-K784 PolarHBondContact O-N 3.32Å; K781-R785 PolarHBondContact O-N 3.43Å
782	V	54.3	Low	57	Low	97 Å²	97	60.4 Å²	60.4	59%	0.588	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-40	177.4	170.2	0	0	0	0	110.1	A778 C779 K784 R785 S786	A778-V782 WeakPolarHBondContact O-CG2 3.47Å; A778-V782 PolarHBondContact O-N 3.13Å; C779-V782 PolarHBondContact O-N 3.21Å; V782-K784 VanDerWaalsContact C-N 3.33Å; V782-K784 PolarHBondContact O-N 3.19Å; V782-R785 PolarHBondContact O-N 3.22Å; V782-S786 PolarHBondContact O-N 2.84Å
783	T	53.9	Low	56.7	Low	24 Å²	24	69.7 Å²	69.7	15%	0.147	35%	0.35	C	S	.	.	H	α-helix	trans	-71.6	-28.3	-177.7	58.8	0	0	0	0	112.8	C779 V780 K781 R785 L795 L832	C779-T783 WeakPolarHBondContact O-CG2 3.49Å; C779-T783 PolarHBondContact O-N 2.88Å; C779-T783 PolarHBondContact O-OG1 3.12Å; V780-T783 WeakPolarHBondContact CA-OG1 3.47Å; V780-T783 PolarHBondContact O-OG1 3.21Å; K781-T783 PolarHBondContact O-N 3.35Å; T783-R785 VanDerWaalsContact C-N 3.28Å; T783-R785 PolarHBondContact O-N 3.1Å; T783-L795 HydrophobicContact CG2-CD1 3.07Å; T783-L795 HydrophobicContact CG2-CG 4.41Å; T783-L832 HydrophobicContact CG2-CD2 3.89Å
784	K	53.8	Low	56	Low	147 Å²	147	71.8 Å²	71.8	64%	0.639	37%	0.367	S	S	*	.	H	α-helix	trans	-68.1	-23.2	167.6	-73.9	-179.7	-179.1	-173.4	0	113.3	V780 K781 V782	V780-K784 WeakPolarHBondContact O-CG 3.23Å; K781-K784 PolarHBondContact O-N 3.32Å; V782-K784 VanDerWaalsContact C-N 3.33Å; V782-K784 PolarHBondContact O-N 3.19Å
785	R	52	Low	55.5	Low	158 Å²	158	72.3 Å²	72.3	60%	0.596	37%	0.371	S	S	*	.	H	α-helix	trans	-98.7	-32.5	-175.6	-71.5	-174.3	179	170.1	6.5	114.8	K752 K781 V782 T783 K787	K752-R785 VanDerWaalsContact CE-NH2 3.31Å; K781-R785 PolarHBondContact O-N 3.43Å; V782-R785 PolarHBondContact O-N 3.22Å; T783-R785 VanDerWaalsContact C-N 3.28Å; T783-R785 PolarHBondContact O-N 3.1Å; R785-K787 PolarHBondContact O-N 3.46Å
786	S	49.7	Very low	55.3	Low	28 Å²	28	79.9 Å²	79.9	20%	0.196	40%	0.396	C	S	.	.			trans	-53.3	133.5	-173.8	167.3	0	0	0	0	112.8	V782 N788 R792	V782-S786 PolarHBondContact O-N 2.84Å; S786-N788 VanDerWaalsContact C-N 3.28Å; S786-N788 PolarHBondContact O-N 3.38Å; S786-N788 PolarHBondContact OG-N 3.11Å; S786-R792 PolarHBondContact O-NE 3.42Å; S786-R792 PolarHBondContact O-NH2 3.36Å
787	K	53.4	Low	55	Low	204 Å²	204	84.6 Å²	84.6	89%	0.887	43%	0.425	S	S	*	.			trans	-75.2	-11.5	175.1	-75	-174.6	179.2	179.9	0	113.4	R785 S789	R785-K787 PolarHBondContact O-N 3.46Å; K787-S789 PolarHBondContact O-N 2.98Å
788	N	53.9	Low	54.8	Low	105 Å²	105	89 Å²	89	56%	0.561	45%	0.445	S	S	*	.			trans	-79.7	115.4	-178	-83.2	-15.7	0	0	0	111.4	S786 G790 R792	S786-N788 VanDerWaalsContact C-N 3.28Å; S786-N788 PolarHBondContact O-N 3.38Å; S786-N788 PolarHBondContact OG-N 3.11Å; N788-G790 VanDerWaalsContact C-N 3.33Å; N788-G790 PolarHBondContact O-N 3.3Å; N788-R792 PolarHBondContact O-N 2.98Å
789	S	53.2	Low	54.9	Low	100 Å²	100	88.5 Å²	88.5	70%	0.699	44%	0.437	S	S	*	.	H	α-helix	trans	-63.2	-34	-177.6	55.1	0	0	0	0	113.5	K787 R793	K787-S789 PolarHBondContact O-N 2.98Å; S789-R793 PolarHBondContact O-N 3.44Å
790	G	55.4	Low	55	Low	52 Å²	52	92 Å²	92	54%	0.536	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-49.6	-179.4	0	0	0	0	0	113.4	N788 R792 R793 A794	N788-G790 VanDerWaalsContact C-N 3.33Å; N788-G790 PolarHBondContact O-N 3.3Å; G790-R792 PolarHBondContact O-N 3.4Å; G790-R793 PolarHBondContact O-N 2.81Å; G790-A794 PolarHBondContact O-N 2.86Å
791	Q	52.4	Low	55.2	Low	79 Å²	79	94.3 Å²	94.3	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-65.8	-36.9	179.2	-71.6	174.9	-26.5	0	0	112.4	R793 L795	Q791-R793 VanDerWaalsContact C-N 3.31Å; Q791-R793 PolarHBondContact O-N 3.06Å; Q791-L795 PolarHBondContact O-N 3.09Å
792	R	49.9	Very low	55.6	Low	89 Å²	89	92.9 Å²	92.9	34%	0.336	47%	0.467	S	S	.	.	H	α-helix	trans	-61.9	-38.3	175	-76.7	-172.8	-170.5	179.9	3.4	112.5	S786 N788 G790 R796	S786-R792 PolarHBondContact O-NE 3.42Å; S786-R792 PolarHBondContact O-NH2 3.36Å; N788-R792 PolarHBondContact O-N 2.98Å; G790-R792 PolarHBondContact O-N 3.4Å; R792-R796 WeakPolarHBondContact O-CB 3.42Å; R792-R796 WeakPolarHBondContact O-CG 3.08Å; R792-R796 PolarHBondContact O-N 3.45Å; R792-R796 VanDerWaalsContact O-N 3.1Å
793	R	55.6	Low	56.3	Low	203 Å²	203	90.1 Å²	90.1	77%	0.766	45%	0.448	S	S	*	.	H	α-helix	trans	-72.1	-51	-172.5	-153.8	179.1	-156.5	171.8	4.7	110.8	S789 G790 Q791 L795 R796 T797	S789-R793 PolarHBondContact O-N 3.44Å; G790-R793 PolarHBondContact O-N 2.81Å; Q791-R793 VanDerWaalsContact C-N 3.31Å; Q791-R793 PolarHBondContact O-N 3.06Å; R793-L795 VanDerWaalsContact C-N 3.3Å; R793-L795 PolarHBondContact O-N 3.11Å; R793-R796 PolarHBondContact O-N 2.95Å; R793-T797 PolarHBondContact O-N 3.34Å; R793-T797 PolarHBondContact O-OG1 3.41Å
794	A	52.8	Low	57	Low	43 Å²	43	90.1 Å²	90.1	36%	0.355	45%	0.449	S	S	.	.	H	α-helix	trans	-52.5	-49.9	176	0	0	0	0	0	111	G790 T797 F798	G790-A794 PolarHBondContact O-N 2.86Å; A794-T797 WeakPolarHBondContact O-CB 2.93Å; A794-T797 PolarHBondContact O-N 2.99Å; A794-F798 HydrophobicContact CB-CD2 4.48Å; A794-F798 HydrophobicContact CB-CE2 4.45Å; A794-F798 WeakPolarHBondContact O-CD2 3.43Å; A794-F798 PolarHBondContact O-N 2.87Å
795	L	50.3	Low	57.6	Low	20 Å²	20	83.6 Å²	83.6	11%	0.105	42%	0.421	C	S	.	.	H	α-helix	trans	-71.2	-38.4	-175.1	-89.6	160.9	0	0	0	116.7	T783 Q791 R793 T797 F798 F799 L832	T783-L795 HydrophobicContact CG2-CD1 3.07Å; T783-L795 HydrophobicContact CG2-CG 4.41Å; Q791-L795 PolarHBondContact O-N 3.09Å; R793-L795 VanDerWaalsContact C-N 3.3Å; R793-L795 PolarHBondContact O-N 3.11Å; L795-T797 PolarHBondContact O-N 3.12Å; L795-F798 PolarHBondContact O-N 3.17Å; L795-F799 HydrophobicContact CD2-CD2 4.11Å; L795-F799 CarbonylContact O-C 3.6Å; L795-F799 PolarHBondContact O-N 2.81Å; L795-L832 HydrophobicContact CD1-CD1 3.54Å; L795-L832 HydrophobicContact CD1-CD2 3.29Å; L795-L832 HydrophobicContact CD1-CG 3.99Å; L795-L832 HydrophobicContact CD2-CD1 3.46Å; L795-L832 VanDerWaalsContact CD2-CD1 3.46Å; L795-L832 HydrophobicContact CG-CD1 3.71Å; L795-L832 HydrophobicContact CG-CD2 4.27Å
796	R	55.3	Low	58.4	Low	181 Å²	181	76.2 Å²	76.2	68%	0.683	39%	0.393	S	S	*	.	H	α-helix	trans	-65.5	-26.4	175.4	-77.2	-175.1	-177	-175.6	0.4	111.5	R792 R793	R792-R796 WeakPolarHBondContact O-CB 3.42Å; R792-R796 WeakPolarHBondContact O-CG 3.08Å; R792-R796 PolarHBondContact O-N 3.45Å; R792-R796 VanDerWaalsContact O-N 3.1Å; R793-R796 PolarHBondContact O-N 2.95Å
797	T	59.9	Low	59.3	Low	108 Å²	108	78 Å²	78	66%	0.663	40%	0.398	S	S	*	.	H	α-helix	trans	-76.1	-40.6	175.7	-50.3	0	0	0	0	111.4	R793 A794 L795	R793-T797 PolarHBondContact O-N 3.34Å; R793-T797 PolarHBondContact O-OG1 3.41Å; A794-T797 WeakPolarHBondContact O-CB 2.93Å; A794-T797 PolarHBondContact O-N 2.99Å; L795-T797 PolarHBondContact O-N 3.12Å
798	F	58.7	Low	59.9	Low	97 Å²	97	69.7 Å²	69.7	43%	0.425	37%	0.368	S	S	.	.	H	α-helix	trans	-87.5	-42.8	-177.1	-67.4	-66.4	0	0	0	114.7	A794 L795 I820	A794-F798 HydrophobicContact CB-CD2 4.48Å; A794-F798 HydrophobicContact CB-CE2 4.45Å; A794-F798 WeakPolarHBondContact O-CD2 3.43Å; A794-F798 PolarHBondContact O-N 2.87Å; L795-F798 PolarHBondContact O-N 3.17Å; F798-I820 HydrophobicContact CB-CD1 4.49Å; F798-I820 HydrophobicContact CD1-CD1 3.84Å; F798-I820 HydrophobicContact CD1-CG1 4.42Å
799	F	62.2	Low	60.5	Low	18 Å²	18	64.9 Å²	64.9	8%	0.079	34%	0.342	C	S	.	.			trans	-135.9	89.6	-173.3	-54.8	-64.7	0	0	0	111.8	L795 T801 L805 A808 I820 F825	L795-F799 HydrophobicContact CD2-CD2 4.11Å; L795-F799 CarbonylContact O-C 3.6Å; L795-F799 PolarHBondContact O-N 2.81Å; F799-T801 PolarHBondContact O-N 3.15Å; F799-L805 HydrophobicContact CB-CB 4.1Å; F799-L805 HydrophobicContact CB-CD1 4.48Å; F799-L805 HydrophobicContact CD1-CB 4.29Å; F799-L805 HydrophobicContact CD1-CD1 4.07Å; F799-L805 HydrophobicContact CD2-CD1 3.63Å; F799-L805 HydrophobicContact CE1-CD1 4.26Å; F799-L805 HydrophobicContact CE2-CD1 3.81Å; F799-L805 HydrophobicContact CG-CB 4.12Å; F799-L805 HydrophobicContact CG-CD1 3.76Å; F799-L805 HydrophobicContact CZ-CD1 4.14Å; F799-A808 HydrophobicContact CD1-CB 4.11Å; F799-A808 HydrophobicContact CE1-CB 3.4Å; F799-A808 HydrophobicContact CZ-CB 4.24Å; F799-I820 HydrophobicContact CE1-CD1 3.98Å; F799-I820 HydrophobicContact CZ-CD1 3.73Å; F799-F825 HydrophobicContact CE1-CE2 4.41Å; F799-F825 HydrophobicContact CE2-CD2 4.18Å; F799-F825 HydrophobicContact CE2-CE2 4.05Å; F799-F825 AromaticContact CZ-CD2 3.67Å; F799-F825 HydrophobicContact CZ-CD2 3.67Å; F799-F825 AromaticContact CZ-CE2 3.58Å; F799-F825 HydrophobicContact CZ-CE2 3.58Å
800	P	60.6	Low	61	Low	95 Å²	95	60.2 Å²	60.2	62%	0.617	31%	0.309	S	S	*	.	S	Bend	trans	-65.5	-24.5	-176.9	25.1	-33.8	0	0	0	113.2	S804	P800-S804 WeakPolarHBondContact CD-OG 3.44Å
801	T	63.6	Low	61.3	Low	66 Å²	66	62.1 Å²	62.1	41%	0.405	30%	0.304	S	S	.	.	S	Bend	trans	-136.2	163.8	-176.4	73.6	0	0	0	0	113.4	F799 H803 S804 L805	F799-T801 PolarHBondContact O-N 3.15Å; T801-H803 PolarHBondContact O-N 3.28Å; T801-H803 PolarHBondContact OG1-N 2.95Å; T801-S804 PolarHBondContact N-OG 2.65Å; T801-S804 PolarHBondContact O-N 3.28Å; T801-S804 PolarHBondContact O-OG 2.86Å; T801-S804 PolarHBondContact OG1-N 2.85Å; T801-S804 PolarHBondContact OG1-OG 3.21Å; T801-L805 PolarHBondContact O-N 3.03Å
802	K	67.5	Low	61.7	Low	37 Å²	37	59.3 Å²	59.3	16%	0.161	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-29.9	170.4	64.3	-176.9	-178.1	178.9	0	112.7	F741 V745 D747 I776 V777 V780 F806	F741-K802 HydrophobicContact CE1-CG 4.43Å; F741-K802 HydrophobicContact CZ-CB 4.43Å; F741-K802 HydrophobicContact CZ-CG 4.45Å; V745-K802 HydrophobicContact CG1-CD 3.6Å; V745-K802 VanDerWaalsContact CG1-NZ 3.35Å; V745-K802 PolarHBondContact O-NZ 3.11Å; D747-K802 WeakPolarHBondContact OD1-CE 3.47Å; D747-K802 IonicContact OD1-NZ 3.99Å; D747-K802 PolarHBondContact OD1-NZ 2.9Å; I776-K802 WeakPolarHBondContact CG2-O 3.45Å; V777-K802 HydrophobicContact CG2-CD 4.32Å; V780-K802 HydrophobicContact CB-CB 4.23Å; V780-K802 HydrophobicContact CG1-CB 4.34Å; V780-K802 HydrophobicContact CG2-CB 4.08Å; K802-F806 PolarHBondContact O-N 3.34Å
803	H	68.3	Low	62.1	Low	38 Å²	38	55.2 Å²	55.2	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-73.8	-44.3	177.6	-66	99.8	0	0	0	111	F741 D747 T801 L805 F806 E807	F741-H803 AromaticContact CD1-CD2 3.75Å; F741-H803 AromaticContact CE1-CD2 3.63Å; F741-H803 AromaticContact CE1-NE2 3.92Å; D747-H803 IonicContact OD1-CE1 3.75Å; T801-H803 PolarHBondContact O-N 3.28Å; T801-H803 PolarHBondContact OG1-N 2.95Å; H803-L805 VanDerWaalsContact C-N 3.3Å; H803-L805 PolarHBondContact O-N 3.26Å; H803-F806 WeakPolarHBondContact O-CB 3.39Å; H803-F806 PolarHBondContact O-N 3.12Å; H803-F806 VanDerWaalsContact O-N 3.1Å; H803-E807 WeakPolarHBondContact O-CB 2.96Å; H803-E807 WeakPolarHBondContact O-CG 3.48Å; H803-E807 PolarHBondContact O-N 3.34Å
804	S	67.5	Low	62.2	Low	25 Å²	25	45.8 Å²	45.8	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-35.5	176.4	57.1	0	0	0	0	112.7	P800 T801 A808	P800-S804 WeakPolarHBondContact CD-OG 3.44Å; T801-S804 PolarHBondContact N-OG 2.65Å; T801-S804 PolarHBondContact O-N 3.28Å; T801-S804 PolarHBondContact O-OG 2.86Å; T801-S804 PolarHBondContact OG1-N 2.85Å; T801-S804 PolarHBondContact OG1-OG 3.21Å; S804-A808 WeakPolarHBondContact O-CB 3.31Å; S804-A808 PolarHBondContact O-N 2.7Å
805	L	67.4	Low	62.2	Low	10 Å²	10	45.3 Å²	45.3	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-38.9	173.9	-179.3	61.5	0	0	0	111.9	I776 C779 V780 F799 T801 H803 F809 F825	I776-L805 HydrophobicContact CG2-CB 4.29Å; I776-L805 HydrophobicContact CG2-CD2 4.04Å; I776-L805 HydrophobicContact CG2-CG 4.17Å; C779-L805 HydrophobicContact CB-CD2 4.44Å; V780-L805 HydrophobicContact CG2-CB 4.49Å; V780-L805 HydrophobicContact CG2-CD2 3.87Å; F799-L805 HydrophobicContact CB-CB 4.1Å; F799-L805 HydrophobicContact CB-CD1 4.48Å; F799-L805 HydrophobicContact CD1-CB 4.29Å; F799-L805 HydrophobicContact CD1-CD1 4.07Å; F799-L805 HydrophobicContact CD2-CD1 3.63Å; F799-L805 HydrophobicContact CE1-CD1 4.26Å; F799-L805 HydrophobicContact CE2-CD1 3.81Å; F799-L805 HydrophobicContact CG-CB 4.12Å; F799-L805 HydrophobicContact CG-CD1 3.76Å; F799-L805 HydrophobicContact CZ-CD1 4.14Å; T801-L805 PolarHBondContact O-N 3.03Å; H803-L805 VanDerWaalsContact C-N 3.3Å; H803-L805 PolarHBondContact O-N 3.26Å; L805-F809 WeakPolarHBondContact O-CB 3.36Å; L805-F809 PolarHBondContact O-N 3.48Å; L805-F809 VanDerWaalsContact O-N 3.12Å; L805-F825 HydrophobicContact CD1-CE2 4.32Å
806	F	69.9	Low	62.4	Low	2 Å²	2	47.3 Å²	47.3	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-49.3	174.8	177.7	-88.2	0	0	0	111.5	L737 S738 F741 F769 F772 I776 K802 H803 A808 F809 V810	L737-F806 HydrophobicContact CB-CE1 4.47Å; L737-F806 HydrophobicContact CB-CZ 4.03Å; L737-F806 WeakPolarHBondContact O-CZ 3.47Å; S738-F806 VanDerWaalsContact CA-CE1 3.49Å; F741-F806 HydrophobicContact CB-CD1 4.13Å; F741-F806 HydrophobicContact CB-CD2 3.93Å; F741-F806 HydrophobicContact CB-CE1 3.88Å; F741-F806 HydrophobicContact CB-CE2 3.63Å; F741-F806 HydrophobicContact CB-CG 4.17Å; F741-F806 HydrophobicContact CB-CZ 3.62Å; F741-F806 HydrophobicContact CD1-CB 4.3Å; F741-F806 HydrophobicContact CD1-CD1 4.39Å; F741-F806 HydrophobicContact CD1-CD2 4.34Å; F741-F806 HydrophobicContact CD1-CG 4.08Å; F741-F806 HydrophobicContact CD2-CB 4.24Å; F741-F806 AromaticContact CD2-CD2 3.17Å; F741-F806 HydrophobicContact CD2-CD2 3.17Å; F741-F806 AromaticContact CD2-CE2 3.55Å; F741-F806 HydrophobicContact CD2-CE2 3.55Å; F741-F806 AromaticContact CD2-CG 3.73Å; F741-F806 HydrophobicContact CD2-CG 3.73Å; F741-F806 HydrophobicContact CD2-CZ 4.38Å; F741-F806 HydrophobicContact CE1-CB 4.16Å; F741-F806 HydrophobicContact CE1-CG 4.41Å; F741-F806 HydrophobicContact CE2-CB 4.09Å; F741-F806 AromaticContact CE2-CD2 3.67Å; F741-F806 HydrophobicContact CE2-CD2 3.67Å; F741-F806 HydrophobicContact CE2-CE2 4.44Å; F741-F806 HydrophobicContact CE2-CG 4.08Å; F741-F806 HydrophobicContact CG-CB 4.34Å; F741-F806 HydrophobicContact CG-CD1 4.11Å; F741-F806 AromaticContact CG-CD2 3.57Å; F741-F806 HydrophobicContact CG-CD2 3.57Å; F741-F806 HydrophobicContact CG-CE1 4.35Å; F741-F806 AromaticContact CG-CE2 3.81Å; F741-F806 HydrophobicContact CG-CE2 3.81Å; F741-F806 AromaticContact CG-CG 3.73Å; F741-F806 HydrophobicContact CG-CG 3.73Å; F741-F806 HydrophobicContact CG-CZ 4.2Å; F741-F806 HydrophobicContact CZ-CB 4.05Å; F741-F806 HydrophobicContact CZ-CD2 4.42Å; F741-F806 HydrophobicContact CZ-CG 4.41Å; F769-F806 HydrophobicContact CE2-CE2 4.29Å; F769-F806 HydrophobicContact CE2-CZ 4.42Å; F769-F806 HydrophobicContact CZ-CE2 4.19Å; F769-F806 HydrophobicContact CZ-CZ 4.21Å; F772-F806 HydrophobicContact CD1-CE2 4.35Å; F772-F806 AromaticContact CE1-CD2 3.97Å; F772-F806 HydrophobicContact CE1-CD2 3.97Å; F772-F806 AromaticContact CE1-CE2 3.69Å; F772-F806 HydrophobicContact CE1-CE2 3.69Å; I776-F806 HydrophobicContact CD1-CB 4.13Å; I776-F806 HydrophobicContact CD1-CD2 3.61Å; I776-F806 HydrophobicContact CD1-CG 4.33Å; I776-F806 HydrophobicContact CG2-CB 4.33Å; K802-F806 PolarHBondContact O-N 3.34Å; H803-F806 WeakPolarHBondContact O-CB 3.39Å; H803-F806 PolarHBondContact O-N 3.12Å; H803-F806 VanDerWaalsContact O-N 3.1Å; F806-A808 PolarHBondContact O-N 2.82Å; F806-F809 WeakPolarHBondContact O-CB 3.36Å; F806-F809 PolarHBondContact O-N 2.91Å; F806-F809 VanDerWaalsContact O-N 3.17Å; F806-V810 HydrophobicContact CD1-CG2 4.03Å; F806-V810 HydrophobicContact CE1-CG2 3.54Å; F806-V810 HydrophobicContact CE2-CG2 4.24Å; F806-V810 HydrophobicContact CZ-CG2 3.67Å; F806-V810 WeakPolarHBondContact O-CG2 3.45Å; F806-V810 PolarHBondContact O-N 3Å
807	E	67.6	Low	62.5	Low	65 Å²	65	42.7 Å²	42.7	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-45.9	178.7	-73.8	166.7	-178.1	0	0	110.7	R742 H803 F809 V810 H811	R742-E807 IonicContact NH2-OE1 2.79Å; H803-E807 WeakPolarHBondContact O-CB 2.96Å; H803-E807 WeakPolarHBondContact O-CG 3.48Å; H803-E807 PolarHBondContact O-N 3.34Å; E807-F809 VanDerWaalsContact C-N 3.31Å; E807-F809 PolarHBondContact O-N 3.3Å; E807-V810 PolarHBondContact O-N 3.37Å; E807-V810 VanDerWaalsContact O-N 3.15Å; E807-H811 WeakPolarHBondContact O-CB 3.47Å; E807-H811 PolarHBondContact O-CD2 2.96Å; E807-H811 PolarHBondContact O-N 3.11Å
808	A	65.4	Low	62.1	Low	30 Å²	30	42.7 Å²	42.7	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-39.6	175.3	0	0	0	0	0	112.8	F799 S804 F806 F812	F799-A808 HydrophobicContact CD1-CB 4.11Å; F799-A808 HydrophobicContact CE1-CB 3.4Å; F799-A808 HydrophobicContact CZ-CB 4.24Å; S804-A808 WeakPolarHBondContact O-CB 3.31Å; S804-A808 PolarHBondContact O-N 2.7Å; F806-A808 PolarHBondContact O-N 2.82Å; A808-F812 WeakPolarHBondContact O-CB 3.27Å; A808-F812 PolarHBondContact O-N 2.97Å
809	F	67	Low	62	Low	4 Å²	4	46.8 Å²	46.8	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-43	174.8	175.8	-82.9	0	0	0	112	F772 L805 F806 E807 F812 Q813 A836 A837 P840	F772-F809 HydrophobicContact CD2-CZ 4.41Å; F772-F809 HydrophobicContact CE1-CD1 4.11Å; F772-F809 AromaticContact CE1-CE1 3.96Å; F772-F809 HydrophobicContact CE1-CE1 3.96Å; F772-F809 AromaticContact CE2-CD1 3.99Å; F772-F809 HydrophobicContact CE2-CD1 3.99Å; F772-F809 HydrophobicContact CE2-CD2 4.21Å; F772-F809 AromaticContact CE2-CE1 3.51Å; F772-F809 HydrophobicContact CE2-CE1 3.51Å; F772-F809 AromaticContact CE2-CE2 3.76Å; F772-F809 HydrophobicContact CE2-CE2 3.76Å; F772-F809 HydrophobicContact CE2-CG 4.29Å; F772-F809 AromaticContact CE2-CZ 3.36Å; F772-F809 HydrophobicContact CE2-CZ 3.36Å; F772-F809 AromaticContact CZ-CD1 3.26Å; F772-F809 HydrophobicContact CZ-CD1 3.26Å; F772-F809 HydrophobicContact CZ-CD2 4.16Å; F772-F809 AromaticContact CZ-CE1 3.11Å; F772-F809 HydrophobicContact CZ-CE1 3.11Å; F772-F809 HydrophobicContact CZ-CE2 4.04Å; F772-F809 AromaticContact CZ-CG 3.77Å; F772-F809 HydrophobicContact CZ-CG 3.77Å; F772-F809 AromaticContact CZ-CZ 3.52Å; F772-F809 HydrophobicContact CZ-CZ 3.52Å; L805-F809 WeakPolarHBondContact O-CB 3.36Å; L805-F809 PolarHBondContact O-N 3.48Å; L805-F809 VanDerWaalsContact O-N 3.12Å; F806-F809 WeakPolarHBondContact O-CB 3.36Å; F806-F809 PolarHBondContact O-N 2.91Å; F806-F809 VanDerWaalsContact O-N 3.17Å; E807-F809 VanDerWaalsContact C-N 3.31Å; E807-F809 PolarHBondContact O-N 3.3Å; F809-F812 WeakPolarHBondContact O-CB 3.27Å; F809-F812 PolarHBondContact O-N 3.37Å; F809-Q813 HydrophobicContact CD1-CG 4.34Å; F809-Q813 HydrophobicContact CE1-CG 3.98Å; F809-Q813 VanDerWaalsContact CE1-OE1 3.25Å; F809-Q813 HydrophobicContact CZ-CG 4.35Å; F809-Q813 WeakPolarHBondContact O-CG 3.49Å; F809-Q813 PolarHBondContact O-N 3.33Å; F809-A836 WeakPolarHBondContact CE2-O 2.96Å; F809-A837 HydrophobicContact CD2-CB 4.2Å; F809-A837 HydrophobicContact CE2-CB 4.34Å; F809-P840 HydrophobicContact CE2-CB 4.34Å; F809-P840 HydrophobicContact CE2-CG 3.61Å; F809-P840 HydrophobicContact CZ-CB 4.47Å; F809-P840 HydrophobicContact CZ-CG 3.59Å
810	V	64	Low	61.8	Low	2 Å²	2	48 Å²	48	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-69.1	-37.9	180	176.3	0	0	0	0	111.1	V734 L737 F806 E807 Q813 S814	V734-V810 HydrophobicContact CB-CG1 3.75Å; V734-V810 HydrophobicContact CG1-CB 4.47Å; V734-V810 HydrophobicContact CG1-CG1 3.52Å; V734-V810 HydrophobicContact CG2-CG1 3.36Å; L737-V810 HydrophobicContact CD1-CG1 4.39Å; F806-V810 HydrophobicContact CD1-CG2 4.03Å; F806-V810 HydrophobicContact CE1-CG2 3.54Å; F806-V810 HydrophobicContact CE2-CG2 4.24Å; F806-V810 HydrophobicContact CZ-CG2 3.67Å; F806-V810 WeakPolarHBondContact O-CG2 3.45Å; F806-V810 PolarHBondContact O-N 3Å; E807-V810 PolarHBondContact O-N 3.37Å; E807-V810 VanDerWaalsContact O-N 3.15Å; V810-Q813 WeakPolarHBondContact O-CB 3.04Å; V810-Q813 PolarHBondContact O-N 3.03Å; V810-S814 PolarHBondContact O-N 3.23Å; V810-S814 VanDerWaalsContact O-N 3.16Å
811	H	62.2	Low	62.1	Low	93 Å²	93	45.4 Å²	45.4	43%	0.431	25%	0.253	S	S	.	.	H	α-helix	trans	-67.5	-37.5	172.2	-78.9	-60.5	0	0	0	112.9	E807 Q813 S814 G815 N816	E807-H811 WeakPolarHBondContact O-CB 3.47Å; E807-H811 PolarHBondContact O-CD2 2.96Å; E807-H811 PolarHBondContact O-N 3.11Å; H811-Q813 VanDerWaalsContact C-N 3.3Å; H811-Q813 PolarHBondContact O-N 3.2Å; H811-S814 CarbonylContact O-C 3.54Å; H811-S814 WeakPolarHBondContact O-CA 3.38Å; H811-S814 PolarHBondContact O-N 2.89Å; H811-S814 PolarHBondContact O-OG 3.14Å; H811-G815 PolarHBondContact O-N 3.36Å; H811-N816 PolarHBondContact O-N 3.18Å
812	F	60.4	Low	62.3	Low	19 Å²	19	42.5 Å²	42.5	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-45.5	172.2	178.5	-89.9	0	0	0	110.9	A808 F809 S814 G815 V822 F825 P840 C841 Y844	A808-F812 WeakPolarHBondContact O-CB 3.27Å; A808-F812 PolarHBondContact O-N 2.97Å; F809-F812 WeakPolarHBondContact O-CB 3.27Å; F809-F812 PolarHBondContact O-N 3.37Å; F812-S814 PolarHBondContact O-N 3.23Å; F812-G815 PolarHBondContact O-N 2.81Å; F812-V822 HydrophobicContact CD2-CG2 4.38Å; F812-V822 HydrophobicContact CE2-CB 3.65Å; F812-V822 HydrophobicContact CE2-CG1 3.57Å; F812-V822 HydrophobicContact CE2-CG2 3.3Å; F812-V822 HydrophobicContact CZ-CB 4.05Å; F812-V822 HydrophobicContact CZ-CG1 3.46Å; F812-V822 VanDerWaalsContact CZ-CG1 3.46Å; F812-V822 HydrophobicContact CZ-CG2 3.78Å; F812-F825 HydrophobicContact CD2-CD1 4.25Å; F812-F825 HydrophobicContact CG-CD1 4.45Å; F812-P840 HydrophobicContact CE1-CB 4.44Å; F812-C841 HydrophobicContact CE1-CB 4.31Å; F812-C841 VanDerWaalsContact CE1-SG 3.57Å; F812-C841 HydrophobicContact CZ-CB 4.14Å; F812-Y844 HydrophobicContact CZ-CD1 4.27Å; F812-Y844 HydrophobicContact CZ-CG 4.13Å
813	Q	58.7	Low	62.4	Low	3 Å²	3	46.9 Å²	46.9	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-18.5	173.3	-72.5	-175.1	-44.4	0	0	113.1	G718 Y722 T723 L724 F809 V810 H811 G815	G718-Q813 PolarHBondContact O-NE2 3.49Å; G718-Q813 PolarHBondContact O-OE1 3.5Å; Y722-Q813 CarbonylContact C-O 2.99Å; Y722-Q813 CarbonylContact O-C 3.48Å; Y722-Q813 VanDerWaalsContact O-O 3.07Å; T723-Q813 CarbonylContact C-O 3.57Å; T723-Q813 WeakPolarHBondContact CA-O 3.4Å; T723-Q813 PolarHBondContact N-O 3.35Å; L724-Q813 PolarHBondContact N-O 3.29Å; F809-Q813 HydrophobicContact CD1-CG 4.34Å; F809-Q813 HydrophobicContact CE1-CG 3.98Å; F809-Q813 VanDerWaalsContact CE1-OE1 3.25Å; F809-Q813 HydrophobicContact CZ-CG 4.35Å; F809-Q813 WeakPolarHBondContact O-CG 3.49Å; F809-Q813 PolarHBondContact O-N 3.33Å; V810-Q813 WeakPolarHBondContact O-CB 3.04Å; V810-Q813 PolarHBondContact O-N 3.03Å; H811-Q813 VanDerWaalsContact C-N 3.3Å; H811-Q813 PolarHBondContact O-N 3.2Å; Q813-G815 VanDerWaalsContact C-N 3.31Å
814	S	55.9	Low	62.4	Low	6 Å²	6	49.4 Å²	49.4	4%	0.042	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	11.8	173.3	86.5	0	0	0	0	114.4	L724 V810 H811 F812 N816	L724-S814 CarbonylContact O-C 3.53Å; L724-S814 VanDerWaalsContact O-CA 3.24Å; L724-S814 WeakPolarHBondContact O-CA 3.47Å; V810-S814 PolarHBondContact O-N 3.23Å; V810-S814 VanDerWaalsContact O-N 3.16Å; H811-S814 CarbonylContact O-C 3.54Å; H811-S814 WeakPolarHBondContact O-CA 3.38Å; H811-S814 PolarHBondContact O-N 2.89Å; H811-S814 PolarHBondContact O-OG 3.14Å; F812-S814 PolarHBondContact O-N 3.23Å; S814-N816 PolarHBondContact O-N 2.76Å; S814-N816 PolarHBondContact OG-ND2 3.43Å
815	G	53.6	Low	62.5	Low	32 Å²	32	48.5 Å²	48.5	33%	0.33	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	6.4	178.5	0	0	0	0	0	115.1	H811 F812 Q813 E817	H811-G815 PolarHBondContact O-N 3.36Å; F812-G815 PolarHBondContact O-N 2.81Å; Q813-G815 VanDerWaalsContact C-N 3.31Å; G815-E817 PolarHBondContact O-N 3.06Å; G815-E817 VanDerWaalsContact O-N 3.13Å
816	N	55.6	Low	62.7	Low	63 Å²	63	48.1 Å²	48.1	34%	0.337	26%	0.262	S	S	.	.			trans	-84.1	88	177.4	-82.4	-38.5	0	0	0	109.3	D726 H811 S814 S818	D726-N816 PolarHBondContact OD1-ND2 2.83Å; H811-N816 PolarHBondContact O-N 3.18Å; S814-N816 PolarHBondContact O-N 2.76Å; S814-N816 PolarHBondContact OG-ND2 3.43Å; N816-S818 PolarHBondContact O-N 2.92Å; N816-S818 VanDerWaalsContact O-N 3.09Å
817	E	57	Low	62.9	Low	84 Å²	84	54.1 Å²	54.1	39%	0.393	29%	0.287	S	S	.	.			trans	-70.5	10.4	178.2	-71.7	-170	161.8	0	0	113.9	G815 E819 V822 Y844 K848	G815-E817 PolarHBondContact O-N 3.06Å; G815-E817 VanDerWaalsContact O-N 3.13Å; E817-E819 VanDerWaalsContact C-N 3.29Å; E817-E819 PolarHBondContact O-N 3.1Å; E817-V822 HydrophobicContact CG-CG2 4.22Å; E817-V822 VanDerWaalsContact OE1-CG2 3.23Å; E817-V822 WeakPolarHBondContact OE1-CG2 3.38Å; E817-Y844 PolarHBondContact OE1-OH 2.88Å; E817-K848 IonicContact OE1-NZ 3.44Å; E817-K848 PolarHBondContact OE1-NZ 3.31Å
818	S	51.8	Low	62.9	Low	108 Å²	108	52 Å²	52	76%	0.755	28%	0.281	S	S	*	.	S	Bend	trans	-66.4	-18.8	-159	59.5	0	0	0	0	116.4	N816	N816-S818 PolarHBondContact O-N 2.92Å; N816-S818 VanDerWaalsContact O-N 3.09Å
819	E	55	Low	63	Low	183 Å²	183	50.6 Å²	50.6	86%	0.855	27%	0.269	S	S	*	.	S	Bend	trans	-116.1	-31	-173.9	-65.8	-170.6	170.8	0	0	115.2	E817	E817-E819 VanDerWaalsContact C-N 3.29Å; E817-E819 PolarHBondContact O-N 3.1Å
820	I	58.2	Low	63.3	Low	42 Å²	42	50.8 Å²	50.8	22%	0.215	27%	0.271	C	S	.	.	S	Bend	trans	-145.7	129	-177.2	-55.2	176.8	0	0	0	108.1	F798 F799 D824 F825	F798-I820 HydrophobicContact CB-CD1 4.49Å; F798-I820 HydrophobicContact CD1-CD1 3.84Å; F798-I820 HydrophobicContact CD1-CG1 4.42Å; F799-I820 HydrophobicContact CE1-CD1 3.98Å; F799-I820 HydrophobicContact CZ-CD1 3.73Å; I820-D824 HydrophobicContact CG2-CB 3.98Å; I820-F825 HydrophobicContact CG2-CB 4.07Å
821	S	67	Low	63.4	Low	42 Å²	42	55.4 Å²	55.4	29%	0.294	29%	0.293	S	S	.	.			trans	-61	145.7	175.6	79.7	0	0	0	0	110.7	E823 D824 F825	S821-E823 PolarHBondContact O-N 3.5Å; S821-E823 VanDerWaalsContact O-N 3.13Å; S821-D824 PolarHBondContact O-N 2.7Å; S821-D824 VanDerWaalsContact O-N 3.16Å; S821-D824 WeakPolarHBondContact OG-CB 3.42Å; S821-D824 PolarHBondContact OG-N 3.19Å; S821-D824 VanDerWaalsContact OG-N 3.1Å; S821-D824 PolarHBondContact OG-OD2 3.34Å; S821-F825 PolarHBondContact O-N 2.59Å
822	V	68.5	Low	63.3	Low	4 Å²	4	53 Å²	53	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-52.4	-37.7	176.7	176.5	0	0	0	0	111.8	F812 E817 F825 L826 C841 Y844 L845	F812-V822 HydrophobicContact CD2-CG2 4.38Å; F812-V822 HydrophobicContact CE2-CB 3.65Å; F812-V822 HydrophobicContact CE2-CG1 3.57Å; F812-V822 HydrophobicContact CE2-CG2 3.3Å; F812-V822 HydrophobicContact CZ-CB 4.05Å; F812-V822 HydrophobicContact CZ-CG1 3.46Å; F812-V822 VanDerWaalsContact CZ-CG1 3.46Å; F812-V822 HydrophobicContact CZ-CG2 3.78Å; E817-V822 HydrophobicContact CG-CG2 4.22Å; E817-V822 VanDerWaalsContact OE1-CG2 3.23Å; E817-V822 WeakPolarHBondContact OE1-CG2 3.38Å; V822-F825 PolarHBondContact O-N 3.34Å; V822-L826 WeakPolarHBondContact O-CB 3.43Å; V822-L826 PolarHBondContact O-N 3Å; V822-C841 HydrophobicContact CG1-CB 4.26Å; V822-Y844 HydrophobicContact CB-CD1 4.33Å; V822-Y844 HydrophobicContact CB-CE1 4.32Å; V822-Y844 HydrophobicContact CG1-CD1 3.89Å; V822-Y844 HydrophobicContact CG1-CE1 4.38Å; V822-Y844 HydrophobicContact CG2-CD1 3.67Å; V822-Y844 HydrophobicContact CG2-CE1 3.35Å; V822-L845 HydrophobicContact CG1-CD1 4.43Å; V822-L845 HydrophobicContact CG1-CD2 3.93Å; V822-L845 HydrophobicContact CG1-CG 3.97Å
823	E	70	Confident	63.4	Low	129 Å²	129	59 Å²	59	60%	0.603	31%	0.305	S	S	*	.	H	α-helix	trans	-71.5	-41.7	-175.6	-66.1	162.4	171	0	0	111.3	S821 K827 L845	S821-E823 PolarHBondContact O-N 3.5Å; S821-E823 VanDerWaalsContact O-N 3.13Å; E823-K827 WeakPolarHBondContact O-CB 3.34Å; E823-K827 PolarHBondContact O-N 3.43Å; E823-L845 HydrophobicContact CG-CD2 4.49Å
824	D	67.2	Low	63.5	Low	91 Å²	91	59.1 Å²	59.1	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-67.6	-41.2	174.3	-68.7	-42.6	0	0	0	111.2	I820 S821 K827 A828	I820-D824 HydrophobicContact CG2-CB 3.98Å; S821-D824 PolarHBondContact O-N 2.7Å; S821-D824 VanDerWaalsContact O-N 3.16Å; S821-D824 WeakPolarHBondContact OG-CB 3.42Å; S821-D824 PolarHBondContact OG-N 3.19Å; S821-D824 VanDerWaalsContact OG-N 3.1Å; S821-D824 PolarHBondContact OG-OD2 3.34Å; D824-K827 PolarHBondContact O-N 2.69Å; D824-A828 WeakPolarHBondContact O-CB 3.49Å; D824-A828 PolarHBondContact O-N 2.9Å
825	F	69	Low	63.7	Low	7 Å²	7	59.7 Å²	59.7	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-49.8	175	-176.1	-108.1	0	0	0	111	F799 L805 F812 I820 S821 V822 K827 A828 V829 A837 C841	F799-F825 HydrophobicContact CE1-CE2 4.41Å; F799-F825 HydrophobicContact CE2-CD2 4.18Å; F799-F825 HydrophobicContact CE2-CE2 4.05Å; F799-F825 AromaticContact CZ-CD2 3.67Å; F799-F825 HydrophobicContact CZ-CD2 3.67Å; F799-F825 AromaticContact CZ-CE2 3.58Å; F799-F825 HydrophobicContact CZ-CE2 3.58Å; L805-F825 HydrophobicContact CD1-CE2 4.32Å; F812-F825 HydrophobicContact CD2-CD1 4.25Å; F812-F825 HydrophobicContact CG-CD1 4.45Å; I820-F825 HydrophobicContact CG2-CB 4.07Å; S821-F825 PolarHBondContact O-N 2.59Å; V822-F825 PolarHBondContact O-N 3.34Å; F825-K827 VanDerWaalsContact C-N 3.32Å; F825-K827 PolarHBondContact O-N 3.36Å; F825-A828 WeakPolarHBondContact O-CB 3.49Å; F825-A828 PolarHBondContact O-N 3.09Å; F825-A828 VanDerWaalsContact O-N 3.15Å; F825-V829 HydrophobicContact CD1-CG1 4.39Å; F825-V829 HydrophobicContact CD2-CG1 4.31Å; F825-V829 HydrophobicContact CE1-CG1 4Å; F825-V829 HydrophobicContact CE2-CG1 3.93Å; F825-V829 HydrophobicContact CZ-CG1 3.76Å; F825-V829 WeakPolarHBondContact O-CG1 3.42Å; F825-V829 WeakPolarHBondContact O-CG2 3.46Å; F825-V829 PolarHBondContact O-N 2.94Å; F825-A837 HydrophobicContact CE1-CB 4.44Å; F825-A837 HydrophobicContact CZ-CB 4.48Å; F825-C841 WeakPolarHBondContact CD1-SG 3.49Å
826	L	73.4	Confident	63.9	Low	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-43.4	177.4	177.4	53.5	0	0	0	111.5	V822 V829 T830 V838 C841 V842 L845 W866	V822-L826 WeakPolarHBondContact O-CB 3.43Å; V822-L826 PolarHBondContact O-N 3Å; L826-V829 HydrophobicContact CD1-CG2 4.29Å; L826-V829 WeakPolarHBondContact O-CG2 3.4Å; L826-V829 PolarHBondContact O-N 3.35Å; L826-T830 WeakPolarHBondContact CD1-OG1 3.32Å; L826-T830 VanDerWaalsContact O-CB 3.24Å; L826-T830 WeakPolarHBondContact O-CB 3.36Å; L826-T830 PolarHBondContact O-N 3.45Å; L826-T830 PolarHBondContact O-OG1 2.83Å; L826-V838 HydrophobicContact CD1-CB 4.28Å; L826-V838 HydrophobicContact CD1-CG1 3.98Å; L826-V838 HydrophobicContact CD1-CG2 4.2Å; L826-C841 HydrophobicContact CB-CB 3.96Å; L826-C841 HydrophobicContact CD1-CB 3.84Å; L826-C841 HydrophobicContact CD2-CB 4.18Å; L826-C841 HydrophobicContact CG-CB 4.19Å; L826-V842 HydrophobicContact CD1-CG2 4.34Å; L826-V842 HydrophobicContact CD2-CG2 4.48Å; L826-L845 HydrophobicContact CD2-CD1 3.41Å; L826-L845 VanDerWaalsContact CD2-CD1 3.41Å; L826-W866 HydrophobicContact CD1-CG 4.43Å; L826-W866 HydrophobicContact CD2-CD2 3.91Å; L826-W866 VanDerWaalsContact CD2-CE2 3.46Å; L826-W866 HydrophobicContact CD2-CE3 4.21Å; L826-W866 HydrophobicContact CD2-CH2 3.67Å; L826-W866 HydrophobicContact CD2-CZ2 3.35Å; L826-W866 HydrophobicContact CD2-CZ3 4.08Å; L826-W866 HydrophobicContact CG-CZ2 4.17Å
827	K	73.5	Confident	64.2	Low	127 Å²	127	56 Å²	56	55%	0.552	28%	0.284	S	S	*	.	H	α-helix	trans	-60	-49.4	175.2	-177.6	-179.4	177.2	-175.1	0	110.8	E823 D824 F825 V829 T830 E831	E823-K827 WeakPolarHBondContact O-CB 3.34Å; E823-K827 PolarHBondContact O-N 3.43Å; D824-K827 PolarHBondContact O-N 2.69Å; F825-K827 VanDerWaalsContact C-N 3.32Å; F825-K827 PolarHBondContact O-N 3.36Å; K827-V829 PolarHBondContact O-N 2.96Å; K827-T830 PolarHBondContact O-N 3.48Å; K827-E831 WeakPolarHBondContact CE-OE1 3.39Å; K827-E831 WeakPolarHBondContact O-CB 2.94Å; K827-E831 WeakPolarHBondContact O-CG 3.45Å; K827-E831 PolarHBondContact O-N 3.36Å
828	A	66.9	Low	64.7	Low	20 Å²	20	52 Å²	52	17%	0.165	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-46.5	178.5	0	0	0	0	0	111.7	D824 F825 L832	D824-A828 WeakPolarHBondContact O-CB 3.49Å; D824-A828 PolarHBondContact O-N 2.9Å; F825-A828 WeakPolarHBondContact O-CB 3.49Å; F825-A828 PolarHBondContact O-N 3.09Å; F825-A828 VanDerWaalsContact O-N 3.15Å; A828-L832 WeakPolarHBondContact O-CB 3.13Å; A828-L832 VanDerWaalsContact O-CD1 3.29Å; A828-L832 WeakPolarHBondContact O-CD1 3.32Å; A828-L832 WeakPolarHBondContact O-CG 3.13Å; A828-L832 PolarHBondContact O-N 2.72Å; A828-L832 VanDerWaalsContact O-N 3.16Å
829	V	68.7	Low	65.6	Low	1 Å²	1	47 Å²	47	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-73.7	-29.4	-178.1	-58.1	0	0	0	0	113.2	F825 L826 K827 L832 R833 I834 A837 V838	F825-V829 HydrophobicContact CD1-CG1 4.39Å; F825-V829 HydrophobicContact CD2-CG1 4.31Å; F825-V829 HydrophobicContact CE1-CG1 4Å; F825-V829 HydrophobicContact CE2-CG1 3.93Å; F825-V829 HydrophobicContact CZ-CG1 3.76Å; F825-V829 WeakPolarHBondContact O-CG1 3.42Å; F825-V829 WeakPolarHBondContact O-CG2 3.46Å; F825-V829 PolarHBondContact O-N 2.94Å; L826-V829 HydrophobicContact CD1-CG2 4.29Å; L826-V829 WeakPolarHBondContact O-CG2 3.4Å; L826-V829 PolarHBondContact O-N 3.35Å; K827-V829 PolarHBondContact O-N 2.96Å; V829-L832 PolarHBondContact O-N 3.2Å; V829-R833 PolarHBondContact O-N 3.46Å; V829-R833 VanDerWaalsContact O-N 3.16Å; V829-I834 HydrophobicContact CB-CB 4.2Å; V829-I834 HydrophobicContact CB-CD1 4.34Å; V829-I834 HydrophobicContact CB-CG1 4.43Å; V829-I834 HydrophobicContact CG1-CD1 4.31Å; V829-I834 PolarHBondContact O-N 2.92Å; V829-A837 HydrophobicContact CB-CB 3.75Å; V829-A837 HydrophobicContact CG1-CB 3.67Å; V829-A837 HydrophobicContact CG2-CB 3.95Å; V829-V838 HydrophobicContact CG2-CG2 3.92Å
830	T	72.1	Confident	66	Low	9 Å²	9	38.5 Å²	38.5	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-46.2	172.9	-56.3	0	0	0	0	110.9	L826 K827 L832 R833 E865 C869	L826-T830 WeakPolarHBondContact CD1-OG1 3.32Å; L826-T830 VanDerWaalsContact O-CB 3.24Å; L826-T830 WeakPolarHBondContact O-CB 3.36Å; L826-T830 PolarHBondContact O-N 3.45Å; L826-T830 PolarHBondContact O-OG1 2.83Å; K827-T830 PolarHBondContact O-N 3.48Å; T830-L832 PolarHBondContact O-N 3.43Å; T830-R833 PolarHBondContact O-N 2.88Å; T830-E865 HydrophobicContact CG2-CG 4.15Å; T830-C869 HydrophobicContact CG2-CB 4.21Å
831	E	67	Low	66.6	Low	99 Å²	99	36.5 Å²	36.5	46%	0.463	18%	0.181	S	C	.	.	H	α-helix	trans	-60.2	-30.1	176.3	-76.3	179.8	-170	0	0	112.3	K827 R833	K827-E831 WeakPolarHBondContact CE-OE1 3.39Å; K827-E831 WeakPolarHBondContact O-CB 2.94Å; K827-E831 WeakPolarHBondContact O-CG 3.45Å; K827-E831 PolarHBondContact O-N 3.36Å; E831-R833 VanDerWaalsContact C-N 3.32Å
832	L	59.2	Low	67	Low	43 Å²	43	34.6 Å²	34.6	23%	0.225	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.9	176.9	-65.1	170.7	0	0	0	114.2	T783 L795 A828 V829 T830 I834	T783-L832 HydrophobicContact CG2-CD2 3.89Å; L795-L832 HydrophobicContact CD1-CD1 3.54Å; L795-L832 HydrophobicContact CD1-CD2 3.29Å; L795-L832 HydrophobicContact CD1-CG 3.99Å; L795-L832 HydrophobicContact CD2-CD1 3.46Å; L795-L832 VanDerWaalsContact CD2-CD1 3.46Å; L795-L832 HydrophobicContact CG-CD1 3.71Å; L795-L832 HydrophobicContact CG-CD2 4.27Å; A828-L832 WeakPolarHBondContact O-CB 3.13Å; A828-L832 VanDerWaalsContact O-CD1 3.29Å; A828-L832 WeakPolarHBondContact O-CD1 3.32Å; A828-L832 WeakPolarHBondContact O-CG 3.13Å; A828-L832 PolarHBondContact O-N 2.72Å; A828-L832 VanDerWaalsContact O-N 3.16Å; V829-L832 PolarHBondContact O-N 3.2Å; T830-L832 PolarHBondContact O-N 3.43Å; L832-I834 HydrophobicContact CB-CD1 3.75Å; L832-I834 HydrophobicContact CB-CG1 3.6Å; L832-I834 HydrophobicContact CD1-CD1 3.99Å
833	R	62.4	Low	67.2	Low	145 Å²	145	34.4 Å²	34.4	55%	0.547	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	58.1	-174.9	-61.7	-171.4	179.1	-161.5	3.2	112.1	V829 T830 E831 P835 C869 A874	V829-R833 PolarHBondContact O-N 3.46Å; V829-R833 VanDerWaalsContact O-N 3.16Å; T830-R833 PolarHBondContact O-N 2.88Å; E831-R833 VanDerWaalsContact C-N 3.32Å; R833-P835 WeakPolarHBondContact O-CD 3.24Å; R833-C869 WeakPolarHBondContact CA-SG 3.15Å; R833-A874 VanDerWaalsContact CD-CB 3.49Å
834	I	60.9	Low	67.3	Low	5 Å²	5	29.5 Å²	29.5	3%	0.026	14%	0.142	C	C	.	.			trans	-104	81.1	176.9	-43.1	-175.2	0	0	0	109.2	C779 V829 L832 A836 A837 V838	C779-I834 HydrophobicContact CB-CD1 3.68Å; C779-I834 HydrophobicContact CB-CG1 4.23Å; C779-I834 WeakPolarHBondContact SG-CD1 3.49Å; C779-I834 WeakPolarHBondContact SG-CG1 3.34Å; V829-I834 HydrophobicContact CB-CB 4.2Å; V829-I834 HydrophobicContact CB-CD1 4.34Å; V829-I834 HydrophobicContact CB-CG1 4.43Å; V829-I834 HydrophobicContact CG1-CD1 4.31Å; V829-I834 PolarHBondContact O-N 2.92Å; L832-I834 HydrophobicContact CB-CD1 3.75Å; L832-I834 HydrophobicContact CB-CG1 3.6Å; L832-I834 HydrophobicContact CD1-CD1 3.99Å; I834-A836 PolarHBondContact O-N 3.15Å; I834-A836 VanDerWaalsContact O-N 3.1Å; I834-A837 HydrophobicContact CB-CB 4.19Å; I834-A837 HydrophobicContact CG2-CB 3.8Å; I834-A837 PolarHBondContact O-N 2.68Å; I834-V838 PolarHBondContact O-N 3.45Å; I834-V838 VanDerWaalsContact O-N 3.13Å
835	P	61	Low	67.6	Low	17 Å²	17	26.3 Å²	26.3	11%	0.11	13%	0.125	C	C	.	.	H	α-helix	trans	-44.4	-47.4	179.9	-24.9	19.9	0	0	0	113.4	R833 A837 V838 L839 C869 L870 L883	R833-P835 WeakPolarHBondContact O-CD 3.24Å; P835-A837 PolarHBondContact O-N 2.78Å; P835-V838 PolarHBondContact O-N 3.09Å; P835-V838 VanDerWaalsContact O-N 3.17Å; P835-L839 PolarHBondContact O-N 3.24Å; P835-C869 WeakPolarHBondContact CG-O 3.36Å; P835-L870 HydrophobicContact CB-CD2 4.28Å; P835-L870 WeakPolarHBondContact O-CD2 3.42Å; P835-L883 HydrophobicContact CB-CD1 3.25Å; P835-L883 HydrophobicContact CG-CD1 4.49Å
836	A	57.9	Low	67.9	Low	10 Å²	10	26 Å²	26	8%	0.083	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-23.8	-175	0	0	0	0	0	114.3	F772 F809 I834 P840	F772-A836 HydrophobicContact CD2-CB 3.89Å; F772-A836 HydrophobicContact CE2-CB 4.28Å; F809-A836 WeakPolarHBondContact CE2-O 2.96Å; I834-A836 PolarHBondContact O-N 3.15Å; I834-A836 VanDerWaalsContact O-N 3.1Å; A836-P840 WeakPolarHBondContact O-CD 3.05Å
837	A	61.5	Low	67.9	Low	8 Å²	8	27.7 Å²	27.7	7%	0.066	13%	0.13	C	C	.	.	H	α-helix	trans	-92.5	-28.3	175.9	0	0	0	0	0	113.1	F809 F825 V829 I834 P835 C841	F809-A837 HydrophobicContact CD2-CB 4.2Å; F809-A837 HydrophobicContact CE2-CB 4.34Å; F825-A837 HydrophobicContact CE1-CB 4.44Å; F825-A837 HydrophobicContact CZ-CB 4.48Å; V829-A837 HydrophobicContact CB-CB 3.75Å; V829-A837 HydrophobicContact CG1-CB 3.67Å; V829-A837 HydrophobicContact CG2-CB 3.95Å; I834-A837 HydrophobicContact CB-CB 4.19Å; I834-A837 HydrophobicContact CG2-CB 3.8Å; I834-A837 PolarHBondContact O-N 2.68Å; P835-A837 PolarHBondContact O-N 2.78Å; A837-C841 PolarHBondContact O-SG 2.94Å
838	V	68.6	Low	67.9	Low	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.3	-43	175.2	172.7	0	0	0	0	110.9	L826 V829 I834 P835 C841 V842 W866 C869 L870	L826-V838 HydrophobicContact CD1-CB 4.28Å; L826-V838 HydrophobicContact CD1-CG1 3.98Å; L826-V838 HydrophobicContact CD1-CG2 4.2Å; V829-V838 HydrophobicContact CG2-CG2 3.92Å; I834-V838 PolarHBondContact O-N 3.45Å; I834-V838 VanDerWaalsContact O-N 3.13Å; P835-V838 PolarHBondContact O-N 3.09Å; P835-V838 VanDerWaalsContact O-N 3.17Å; V838-C841 PolarHBondContact O-N 3.49Å; V838-V842 HydrophobicContact CG1-CG2 3.72Å; V838-V842 VanDerWaalsContact O-CG2 3.28Å; V838-V842 WeakPolarHBondContact O-CG2 2.86Å; V838-V842 PolarHBondContact O-N 2.87Å; V838-W866 HydrophobicContact CG1-CB 3.78Å; V838-W866 HydrophobicContact CG1-CG 4.4Å; V838-C869 HydrophobicContact CG2-CB 4.38Å; V838-L870 HydrophobicContact CB-CD2 4.08Å; V838-L870 HydrophobicContact CB-CG 4.19Å; V838-L870 HydrophobicContact CG1-CD1 4.05Å; V838-L870 HydrophobicContact CG1-CD2 4.19Å; V838-L870 HydrophobicContact CG1-CG 3.81Å
839	L	68.7	Low	68.1	Low	4 Å²	4	24.5 Å²	24.5	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-54.1	-56.6	-174.4	164.8	66.7	0	0	0	112.4	P835 C841 V842 I843 L870 L883 L886 F887	P835-L839 PolarHBondContact O-N 3.24Å; L839-C841 VanDerWaalsContact C-N 3.32Å; L839-C841 PolarHBondContact O-N 3.39Å; L839-V842 PolarHBondContact O-N 3.48Å; L839-I843 HydrophobicContact CD1-CD1 4.48Å; L839-I843 HydrophobicContact CD1-CG1 3.88Å; L839-I843 WeakPolarHBondContact O-CG1 3.46Å; L839-I843 PolarHBondContact O-N 3.28Å; L839-L870 HydrophobicContact CB-CD2 3.69Å; L839-L883 HydrophobicContact CB-CD2 4.08Å; L839-L883 HydrophobicContact CD2-CD2 3.37Å; L839-L883 HydrophobicContact CG-CD2 4.31Å; L839-L886 HydrophobicContact CD2-CD2 3.74Å; L839-L886 HydrophobicContact CD2-CG 4.18Å; L839-F887 HydrophobicContact CD1-CB 3.76Å; L839-F887 HydrophobicContact CD1-CD2 3.03Å; L839-F887 HydrophobicContact CD1-CE2 3.79Å; L839-F887 HydrophobicContact CD1-CG 3.75Å
840	P	65	Low	68.1	Low	4 Å²	4	25.6 Å²	25.6	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-60.2	-38.6	179.8	-27.8	37.6	0	0	0	114.5	Y722 F809 F812 A836 I843 Y844	Y722-P840 HydrophobicContact CD1-CB 3.66Å; Y722-P840 HydrophobicContact CD1-CG 4.42Å; Y722-P840 HydrophobicContact CE1-CB 3.48Å; Y722-P840 VanDerWaalsContact CE1-CB 3.48Å; Y722-P840 HydrophobicContact CE1-CG 3.81Å; F809-P840 HydrophobicContact CE2-CB 4.34Å; F809-P840 HydrophobicContact CE2-CG 3.61Å; F809-P840 HydrophobicContact CZ-CB 4.47Å; F809-P840 HydrophobicContact CZ-CG 3.59Å; F812-P840 HydrophobicContact CE1-CB 4.44Å; A836-P840 WeakPolarHBondContact O-CD 3.05Å; P840-I843 PolarHBondContact O-N 2.97Å; P840-Y844 VanDerWaalsContact O-CB 3.25Å; P840-Y844 WeakPolarHBondContact O-CB 3.28Å; P840-Y844 PolarHBondContact O-N 3.21Å
841	C	70.4	Confident	68	Low	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-41.4	179	-59.3	0	0	0	0	111.8	F812 V822 F825 L826 A837 V838 L839 Y844 L845	F812-C841 HydrophobicContact CE1-CB 4.31Å; F812-C841 VanDerWaalsContact CE1-SG 3.57Å; F812-C841 HydrophobicContact CZ-CB 4.14Å; V822-C841 HydrophobicContact CG1-CB 4.26Å; F825-C841 WeakPolarHBondContact CD1-SG 3.49Å; L826-C841 HydrophobicContact CB-CB 3.96Å; L826-C841 HydrophobicContact CD1-CB 3.84Å; L826-C841 HydrophobicContact CD2-CB 4.18Å; L826-C841 HydrophobicContact CG-CB 4.19Å; A837-C841 PolarHBondContact O-SG 2.94Å; V838-C841 PolarHBondContact O-N 3.49Å; L839-C841 VanDerWaalsContact C-N 3.32Å; L839-C841 PolarHBondContact O-N 3.39Å; C841-Y844 PolarHBondContact O-N 3.45Å; C841-L845 WeakPolarHBondContact O-CB 3.17Å; C841-L845 VanDerWaalsContact O-CG 3.26Å; C841-L845 WeakPolarHBondContact O-CG 3.43Å; C841-L845 PolarHBondContact O-N 2.71Å
842	V	74.8	Confident	68.1	Low	1 Å²	1	30.3 Å²	30.3	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-44.5	176.9	173.6	0	0	0	0	110.7	L826 V838 L839 L845 L846 F863 W866 F887	L826-V842 HydrophobicContact CD1-CG2 4.34Å; L826-V842 HydrophobicContact CD2-CG2 4.48Å; V838-V842 HydrophobicContact CG1-CG2 3.72Å; V838-V842 VanDerWaalsContact O-CG2 3.28Å; V838-V842 WeakPolarHBondContact O-CG2 2.86Å; V838-V842 PolarHBondContact O-N 2.87Å; L839-V842 PolarHBondContact O-N 3.48Å; V842-L845 PolarHBondContact O-N 3.1Å; V842-L846 HydrophobicContact CG1-CD1 4.36Å; V842-L846 WeakPolarHBondContact O-CG 3.43Å; V842-L846 PolarHBondContact O-N 2.85Å; V842-F863 HydrophobicContact CG1-CD2 3.99Å; V842-F863 HydrophobicContact CG1-CE2 3.36Å; V842-F863 HydrophobicContact CG1-CZ 4.12Å; V842-W866 HydrophobicContact CG1-CE3 4.44Å; V842-W866 HydrophobicContact CG2-CB 3.82Å; V842-W866 HydrophobicContact CG2-CD2 3.98Å; V842-W866 HydrophobicContact CG2-CE3 3.65Å; V842-W866 HydrophobicContact CG2-CG 4.08Å; V842-W866 HydrophobicContact CG2-CZ3 4.44Å; V842-F887 HydrophobicContact CG1-CE2 4.16Å; V842-F887 HydrophobicContact CG1-CZ 4.25Å
843	I	72.2	Confident	68.4	Low	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-45.2	176.5	-66.3	-64.6	0	0	0	111	Y722 L839 P840 L845 L846 R847 F887 Q890 L891 I894	Y722-I843 HydrophobicContact CD1-CB 4.5Å; Y722-I843 HydrophobicContact CD1-CG2 4.29Å; Y722-I843 HydrophobicContact CD2-CB 4.29Å; Y722-I843 HydrophobicContact CD2-CG2 3.32Å; Y722-I843 HydrophobicContact CE1-CB 4.35Å; Y722-I843 HydrophobicContact CE1-CG2 4.36Å; Y722-I843 HydrophobicContact CE2-CB 4.03Å; Y722-I843 HydrophobicContact CE2-CG1 4.28Å; Y722-I843 HydrophobicContact CE2-CG2 3.33Å; Y722-I843 HydrophobicContact CG-CB 4.47Å; Y722-I843 HydrophobicContact CG-CG2 3.79Å; L839-I843 HydrophobicContact CD1-CD1 4.48Å; L839-I843 HydrophobicContact CD1-CG1 3.88Å; L839-I843 WeakPolarHBondContact O-CG1 3.46Å; L839-I843 PolarHBondContact O-N 3.28Å; P840-I843 PolarHBondContact O-N 2.97Å; I843-L845 PolarHBondContact O-N 3.32Å; I843-L846 PolarHBondContact O-N 2.72Å; I843-R847 PolarHBondContact O-N 3.03Å; I843-F887 HydrophobicContact CD1-CD2 3.88Å; I843-F887 HydrophobicContact CD1-CE2 3.78Å; I843-F887 HydrophobicContact CG1-CD2 4.34Å; I843-F887 HydrophobicContact CG1-CE2 4.29Å; I843-Q890 HydrophobicContact CD1-CB 3.8Å; I843-Q890 HydrophobicContact CG1-CB 4.34Å; I843-L891 HydrophobicContact CD1-CD2 4.01Å; I843-L891 HydrophobicContact CD1-CG 4.3Å; I843-I894 HydrophobicContact CB-CD1 4.35Å; I843-I894 HydrophobicContact CD1-CD1 3.54Å; I843-I894 HydrophobicContact CG2-CD1 3.81Å
844	Y	73.1	Confident	68.8	Low	27 Å²	27	33.7 Å²	33.7	11%	0.106	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-48.8	175.2	176.7	-87.5	0	0	0	111.5	T723 F812 E817 V822 P840 C841 L846 R847 K848	T723-Y844 HydrophobicContact CG2-CD2 3.94Å; T723-Y844 HydrophobicContact CG2-CE2 3.91Å; F812-Y844 HydrophobicContact CZ-CD1 4.27Å; F812-Y844 HydrophobicContact CZ-CG 4.13Å; E817-Y844 PolarHBondContact OE1-OH 2.88Å; V822-Y844 HydrophobicContact CB-CD1 4.33Å; V822-Y844 HydrophobicContact CB-CE1 4.32Å; V822-Y844 HydrophobicContact CG1-CD1 3.89Å; V822-Y844 HydrophobicContact CG1-CE1 4.38Å; V822-Y844 HydrophobicContact CG2-CD1 3.67Å; V822-Y844 HydrophobicContact CG2-CE1 3.35Å; P840-Y844 VanDerWaalsContact O-CB 3.25Å; P840-Y844 WeakPolarHBondContact O-CB 3.28Å; P840-Y844 PolarHBondContact O-N 3.21Å; C841-Y844 PolarHBondContact O-N 3.45Å; Y844-L846 VanDerWaalsContact C-N 3.31Å; Y844-L846 PolarHBondContact O-N 3.22Å; Y844-R847 CarbonylContact O-C 3.58Å; Y844-R847 PolarHBondContact O-N 3.37Å; Y844-R847 VanDerWaalsContact O-N 3.11Å; Y844-K848 HydrophobicContact CE1-CD 3.96Å; Y844-K848 PolarHBondContact O-N 3.03Å
845	L	74	Confident	69.3	Low	24 Å²	24	34.4 Å²	34.4	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-36.6	178.6	-71.3	174.9	0	0	0	112.6	V822 E823 L826 C841 V842 I843 W866	V822-L845 HydrophobicContact CG1-CD1 4.43Å; V822-L845 HydrophobicContact CG1-CD2 3.93Å; V822-L845 HydrophobicContact CG1-CG 3.97Å; E823-L845 HydrophobicContact CG-CD2 4.49Å; L826-L845 HydrophobicContact CD2-CD1 3.41Å; L826-L845 VanDerWaalsContact CD2-CD1 3.41Å; C841-L845 WeakPolarHBondContact O-CB 3.17Å; C841-L845 VanDerWaalsContact O-CG 3.26Å; C841-L845 WeakPolarHBondContact O-CG 3.43Å; C841-L845 PolarHBondContact O-N 2.71Å; V842-L845 PolarHBondContact O-N 3.1Å; I843-L845 PolarHBondContact O-N 3.32Å; L845-W866 HydrophobicContact CD1-CH2 3.76Å; L845-W866 HydrophobicContact CD1-CZ3 4.12Å
846	L	75.3	Confident	69.8	Low	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.5	-34.2	174.4	-74.6	176.9	0	0	0	112.7	V842 I843 Y844 L857 F863 L891 I894 Y898 F912 L913	V842-L846 HydrophobicContact CG1-CD1 4.36Å; V842-L846 WeakPolarHBondContact O-CG 3.43Å; V842-L846 PolarHBondContact O-N 2.85Å; I843-L846 PolarHBondContact O-N 2.72Å; Y844-L846 VanDerWaalsContact C-N 3.31Å; Y844-L846 PolarHBondContact O-N 3.22Å; L846-L857 HydrophobicContact CD2-CD2 3.9Å; L846-F863 HydrophobicContact CD1-CE2 3.89Å; L846-F863 HydrophobicContact CD1-CZ 4.3Å; L846-F863 HydrophobicContact CD2-CE2 4.34Å; L846-F863 HydrophobicContact CG-CE2 4.3Å; L846-L891 HydrophobicContact CD1-CD2 3.32Å; L846-I894 HydrophobicContact CB-CD1 4Å; L846-I894 HydrophobicContact CD1-CD1 4.21Å; L846-Y898 PolarHBondContact O-OH 2.86Å; L846-F912 HydrophobicContact CD2-CD1 4.37Å; L846-F912 HydrophobicContact CD2-CE1 3.94Å; L846-L913 HydrophobicContact CD1-CD2 4.21Å
847	R	73.9	Confident	70.5	Confident	37 Å²	37	41 Å²	41	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-80.3	-28.6	176.1	-77.4	-170.8	166.6	162	8.3	113.4	I843 Y844 F849 L850 E851 I894 E897	I843-R847 PolarHBondContact O-N 3.03Å; Y844-R847 CarbonylContact O-C 3.58Å; Y844-R847 PolarHBondContact O-N 3.37Å; Y844-R847 VanDerWaalsContact O-N 3.11Å; R847-F849 PolarHBondContact O-N 2.97Å; R847-L850 HydrophobicContact CG-CD1 4.28Å; R847-L850 WeakPolarHBondContact O-CA 3.5Å; R847-L850 WeakPolarHBondContact O-CB 3.19Å; R847-L850 PolarHBondContact O-N 3.4Å; R847-E851 PolarHBondContact O-N 3.23Å; R847-I894 HydrophobicContact CG-CD1 4.17Å; R847-I894 HydrophobicContact CG-CG1 3.86Å; R847-E897 IonicContact CZ-OE1 3.16Å; R847-E897 VanDerWaalsContact CZ-OE1 3.31Å; R847-E897 IonicContact CZ-OE2 2.75Å; R847-E897 IonicContact NE-OE1 2.66Å; R847-E897 IonicContact NE-OE2 2.66Å; R847-E897 PolarHBondContact NE-OE2 3.09Å; R847-E897 IonicContact NH2-OE1 2.92Å; R847-E897 PolarHBondContact NH2-OE1 3.42Å; R847-E897 IonicContact NH2-OE2 3.21Å
848	K	72.7	Confident	71.1	Confident	57 Å²	57	41.6 Å²	41.6	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-53.4	-31.1	177.2	-168.7	167.3	-172.3	159.5	0	112.1	E817 Y844 L850 E851 D852 A855	E817-K848 IonicContact OE1-NZ 3.44Å; E817-K848 PolarHBondContact OE1-NZ 3.31Å; Y844-K848 HydrophobicContact CE1-CD 3.96Å; Y844-K848 PolarHBondContact O-N 3.03Å; K848-L850 PolarHBondContact O-N 3.43Å; K848-E851 PolarHBondContact O-N 2.96Å; K848-D852 WeakPolarHBondContact O-CB 3.47Å; K848-D852 PolarHBondContact O-N 3.36Å; K848-A855 HydrophobicContact CG-CB 4.27Å
849	F	70.2	Confident	71.5	Confident	24 Å²	24	44.7 Å²	44.7	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-74.3	-17.7	175.5	-176.2	-118.4	0	0	0	115.2	R847 A855 L857 Y898 K902 K905 V909	R847-F849 PolarHBondContact O-N 2.97Å; F849-A855 HydrophobicContact CB-CB 4.34Å; F849-A855 HydrophobicContact CD2-CB 4.28Å; F849-A855 WeakPolarHBondContact CD2-O 3.46Å; F849-A855 WeakPolarHBondContact CE2-O 3.29Å; F849-L857 HydrophobicContact CD1-CD2 4.27Å; F849-L857 HydrophobicContact CD1-CG 4.22Å; F849-L857 HydrophobicContact CE1-CD1 4.49Å; F849-L857 HydrophobicContact CE1-CG 4.38Å; F849-Y898 VanDerWaalsContact CB-OH 3.25Å; F849-Y898 WeakPolarHBondContact CB-OH 3.34Å; F849-Y898 AromaticContact CD1-CE1 3.76Å; F849-Y898 HydrophobicContact CD1-CE1 3.76Å; F849-Y898 AromaticContact CD1-CZ 3.92Å; F849-Y898 VanDerWaalsContact CD1-OH 3.29Å; F849-Y898 WeakPolarHBondContact CD1-OH 3.44Å; F849-Y898 HydrophobicContact CE1-CE1 4.39Å; F849-K902 PolarHBondContact O-NZ 2.98Å; F849-K905 HydrophobicContact CD1-CD 4.27Å; F849-K905 HydrophobicContact CE1-CB 4.09Å; F849-K905 HydrophobicContact CE1-CD 3.5Å; F849-K905 HydrophobicContact CE1-CG 4Å; F849-K905 HydrophobicContact CE2-CD 4.31Å; F849-K905 HydrophobicContact CZ-CD 3.55Å; F849-K905 VanDerWaalsContact CZ-CE 3.44Å; F849-K905 HydrophobicContact CZ-CG 4.18Å; F849-K905 VanDerWaalsContact CZ-NZ 3.33Å; F849-V909 HydrophobicContact CD1-CG2 4.37Å
850	L	69.2	Low	71.6	Confident	24 Å²	24	46 Å²	46	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-72.6	-38.1	166.7	-67.7	170.2	0	0	0	111.4	R847 K848 E897 Y898 T901 K902	R847-L850 HydrophobicContact CG-CD1 4.28Å; R847-L850 WeakPolarHBondContact O-CA 3.5Å; R847-L850 WeakPolarHBondContact O-CB 3.19Å; R847-L850 PolarHBondContact O-N 3.4Å; K848-L850 PolarHBondContact O-N 3.43Å; L850-E897 HydrophobicContact CD1-CB 3.83Å; L850-Y898 HydrophobicContact CD1-CD2 4.23Å; L850-Y898 HydrophobicContact CD1-CE2 4Å; L850-Y898 HydrophobicContact CD2-CD1 3.26Å; L850-Y898 HydrophobicContact CD2-CD2 3.79Å; L850-Y898 HydrophobicContact CD2-CE1 3.26Å; L850-Y898 HydrophobicContact CD2-CE2 3.79Å; L850-Y898 HydrophobicContact CD2-CG 3.51Å; L850-Y898 HydrophobicContact CG-CD1 4.19Å; L850-Y898 HydrophobicContact CG-CD2 4.11Å; L850-Y898 HydrophobicContact CG-CE1 3.76Å; L850-Y898 HydrophobicContact CG-CE2 3.67Å; L850-Y898 HydrophobicContact CG-CG 4.32Å; L850-Y898 VanDerWaalsContact CG-CZ 3.45Å; L850-Y898 PolarHBondContact N-OH 3.36Å; L850-T901 WeakPolarHBondContact CD2-OG1 3.42Å; L850-K902 WeakPolarHBondContact O-CE 3.36Å; L850-K902 PolarHBondContact O-NZ 2.87Å
851	E	69.5	Low	71.9	Confident	146 Å²	146	48.8 Å²	48.8	68%	0.682	27%	0.274	S	S	*	.	H	α-helix	trans	-88.1	-42.4	-175.8	-64.9	177.3	179.3	0	0	111.9	R847 K848	R847-E851 PolarHBondContact O-N 3.23Å; K848-E851 PolarHBondContact O-N 2.96Å
852	D	69.3	Low	72.2	Confident	61 Å²	61	54.5 Å²	54.5	33%	0.326	30%	0.299	S	S	.	.			trans	-112.6	117.9	-176.7	-176.6	-3.7	0	0	0	111	K848 T854 A855	K848-D852 WeakPolarHBondContact O-CB 3.47Å; K848-D852 PolarHBondContact O-N 3.36Å; D852-T854 VanDerWaalsContact CG-OG1 3.25Å; D852-T854 PolarHBondContact O-N 2.88Å; D852-T854 WeakPolarHBondContact OD1-CB 3.4Å; D852-T854 PolarHBondContact OD1-N 3.43Å; D852-T854 PolarHBondContact OD1-OG1 2.91Å; D852-T854 PolarHBondContact OD2-OG1 3.46Å; D852-A855 HydrophobicContact CB-CB 4.24Å; D852-A855 PolarHBondContact O-N 3.22Å
853	E	67	Low	72.3	Confident	143 Å²	143	54.5 Å²	54.5	67%	0.668	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-20	178.7	-65.5	-161.1	149.8	0	0	114.1
854	T	70.6	Confident	72.3	Confident	116 Å²	116	58.9 Å²	58.9	71%	0.712	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.2	178.9	70.5	0	0	0	0	112.9	D852	D852-T854 VanDerWaalsContact CG-OG1 3.25Å; D852-T854 PolarHBondContact O-N 2.88Å; D852-T854 WeakPolarHBondContact OD1-CB 3.4Å; D852-T854 PolarHBondContact OD1-N 3.43Å; D852-T854 PolarHBondContact OD1-OG1 2.91Å; D852-T854 PolarHBondContact OD2-OG1 3.46Å
855	A	70.6	Confident	72.2	Confident	19 Å²	19	62.7 Å²	62.7	16%	0.157	33%	0.334	C	S	.	.			trans	-61.5	142.9	174.6	0	0	0	0	0	110.4	K848 F849 D852	K848-A855 HydrophobicContact CG-CB 4.27Å; F849-A855 HydrophobicContact CB-CB 4.34Å; F849-A855 HydrophobicContact CD2-CB 4.28Å; F849-A855 WeakPolarHBondContact CD2-O 3.46Å; F849-A855 WeakPolarHBondContact CE2-O 3.29Å; D852-A855 HydrophobicContact CB-CB 4.24Å; D852-A855 PolarHBondContact O-N 3.22Å
856	V	71.9	Confident	72.3	Confident	130 Å²	130	62.7 Å²	62.7	79%	0.788	33%	0.332	S	S	*	.			trans	-112.3	136.9	177.8	-176.6	0	0	0	0	108.3
857	L	72.3	Confident	72	Confident	36 Å²	36	62.7 Å²	62.7	19%	0.188	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-56.9	141.6	173.4	-74.9	171.5	0	0	0	110.4	L846 F849 V909 F912	L846-L857 HydrophobicContact CD2-CD2 3.9Å; F849-L857 HydrophobicContact CD1-CD2 4.27Å; F849-L857 HydrophobicContact CD1-CG 4.22Å; F849-L857 HydrophobicContact CE1-CD1 4.49Å; F849-L857 HydrophobicContact CE1-CG 4.38Å; L857-V909 HydrophobicContact CD1-CG2 4.02Å; L857-V909 HydrophobicContact CD2-CG2 4.31Å; L857-F912 HydrophobicContact CD1-CB 4.27Å; L857-F912 HydrophobicContact CD1-CG 4.4Å
858	P	74.1	Confident	71.8	Confident	20 Å²	20	64.1 Å²	64.1	13%	0.13	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-60	152.5	177	23.8	-31.6	0	0	0	110.9	F863 W866 F912	P858-F863 HydrophobicContact CG-CD2 4.23Å; P858-W866 HydrophobicContact CB-CH2 3.63Å; P858-W866 HydrophobicContact CB-CZ3 3.48Å; P858-W866 VanDerWaalsContact CB-CZ3 3.48Å; P858-W866 HydrophobicContact CG-CH2 4.33Å; P858-W866 HydrophobicContact CG-CZ3 3.75Å; P858-F912 HydrophobicContact CG-CE1 4.44Å; P858-F912 HydrophobicContact CG-CZ 3.94Å; P858-F912 WeakPolarHBondContact O-CE2 3.4Å; P858-F912 WeakPolarHBondContact O-CZ 3.35Å
859	S	77	Confident	71.4	Confident	65 Å²	65	61.8 Å²	61.8	46%	0.455	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-65.3	147.1	177.6	74.2	0	0	0	0	111.3	A861 K862 F863	S859-A861 PolarHBondContact O-N 3.39Å; S859-K862 PolarHBondContact O-N 2.69Å; S859-K862 VanDerWaalsContact O-N 3.09Å; S859-K862 PolarHBondContact OG-N 3.4Å; S859-F863 PolarHBondContact O-N 2.9Å
860	A	70.8	Confident	71.2	Confident	33 Å²	33	61.1 Å²	61.1	27%	0.273	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-22.1	179.1	0	0	0	0	0	113.8	R864 F912 T916	A860-R864 WeakPolarHBondContact O-CB 3.39Å; A860-R864 WeakPolarHBondContact O-CG 3.28Å; A860-R864 PolarHBondContact O-N 2.86Å; A860-R864 PolarHBondContact O-NE 3.29Å; A860-F912 HydrophobicContact CB-CE2 4.47Å; A860-T916 VanDerWaalsContact CA-CG2 3.48Å; A860-T916 HydrophobicContact CB-CG2 3.5Å; A860-T916 VanDerWaalsContact CB-CG2 3.5Å
861	A	72	Confident	70.7	Confident	62 Å²	62	61.6 Å²	61.6	51%	0.512	33%	0.333	S	S	.	.	H	α-helix	trans	-76.8	-48	174.3	0	0	0	0	0	111.9	S859 F863 R864 E865	S859-A861 PolarHBondContact O-N 3.39Å; A861-F863 PolarHBondContact O-N 2.87Å; A861-R864 PolarHBondContact O-N 3.47Å; A861-E865 PolarHBondContact O-N 3.38Å
862	K	76.1	Confident	69.9	Low	120 Å²	120	57.3 Å²	57.3	52%	0.522	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-42.9	176.5	-78.3	-172.4	175.1	-175.3	0	111.7	S859 R864 E865 W866	S859-K862 PolarHBondContact O-N 2.69Å; S859-K862 VanDerWaalsContact O-N 3.09Å; S859-K862 PolarHBondContact OG-N 3.4Å; K862-R864 VanDerWaalsContact C-N 3.3Å; K862-R864 PolarHBondContact O-N 3.14Å; K862-E865 WeakPolarHBondContact O-CB 3.29Å; K862-E865 PolarHBondContact O-N 3.22Å; K862-E865 VanDerWaalsContact O-N 3.16Å; K862-W866 HydrophobicContact CB-CH2 4.37Å; K862-W866 HydrophobicContact CB-CZ2 4.06Å; K862-W866 HydrophobicContact CD-CZ2 4.33Å; K862-W866 VanDerWaalsContact O-CD2 3.3Å; K862-W866 PolarHBondContact O-N 3.47Å
863	F	76.1	Confident	68.9	Low	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-39.7	177.2	-167.2	-90.9	0	0	0	111.7	V842 L846 P858 S859 A861 W866 M867 F887 F912 L913 T916 I917	V842-F863 HydrophobicContact CG1-CD2 3.99Å; V842-F863 HydrophobicContact CG1-CE2 3.36Å; V842-F863 HydrophobicContact CG1-CZ 4.12Å; L846-F863 HydrophobicContact CD1-CE2 3.89Å; L846-F863 HydrophobicContact CD1-CZ 4.3Å; L846-F863 HydrophobicContact CD2-CE2 4.34Å; L846-F863 HydrophobicContact CG-CE2 4.3Å; P858-F863 HydrophobicContact CG-CD2 4.23Å; S859-F863 PolarHBondContact O-N 2.9Å; A861-F863 PolarHBondContact O-N 2.87Å; F863-W866 HydrophobicContact CB-CE3 4.4Å; F863-W866 HydrophobicContact CD2-CE3 4.09Å; F863-W866 HydrophobicContact CD2-CZ3 4.41Å; F863-W866 PolarHBondContact O-N 3.16Å; F863-M867 HydrophobicContact CD1-CG 3.79Å; F863-M867 HydrophobicContact CD1-SD 4.42Å; F863-M867 HydrophobicContact CE1-CG 3.69Å; F863-M867 HydrophobicContact CE1-SD 3.84Å; F863-M867 HydrophobicContact CZ-SD 4.16Å; F863-M867 VanDerWaalsContact O-CG 3.25Å; F863-M867 WeakPolarHBondContact O-CG 3.38Å; F863-M867 PolarHBondContact O-N 3.24Å; F863-F887 AromaticContact CZ-CZ 3.95Å; F863-F887 HydrophobicContact CZ-CZ 3.95Å; F863-F912 HydrophobicContact CB-CE1 4.45Å; F863-F912 HydrophobicContact CB-CE2 4.31Å; F863-F912 HydrophobicContact CB-CZ 3.59Å; F863-F912 HydrophobicContact CD1-CE1 4.35Å; F863-F912 HydrophobicContact CD1-CZ 4.22Å; F863-F912 AromaticContact CD2-CE1 3.73Å; F863-F912 HydrophobicContact CD2-CE1 3.73Å; F863-F912 AromaticContact CD2-CZ 3.65Å; F863-F912 HydrophobicContact CD2-CZ 3.65Å; F863-F912 AromaticContact CE2-CE1 3.96Å; F863-F912 HydrophobicContact CE2-CE1 3.96Å; F863-F912 HydrophobicContact CE2-CZ 4.34Å; F863-F912 AromaticContact CG-CE1 3.93Å; F863-F912 HydrophobicContact CG-CE1 3.93Å; F863-F912 AromaticContact CG-CZ 3.55Å; F863-F912 HydrophobicContact CG-CZ 3.55Å; F863-F912 HydrophobicContact CZ-CE1 4.35Å; F863-L913 HydrophobicContact CE1-CD2 4.29Å; F863-L913 HydrophobicContact CE2-CD2 4.49Å; F863-L913 HydrophobicContact CZ-CD2 3.8Å; F863-T916 HydrophobicContact CB-CG2 4.28Å; F863-T916 HydrophobicContact CD1-CG2 4.07Å; F863-T916 WeakPolarHBondContact CD1-OG1 3.32Å; F863-T916 HydrophobicContact CG-CG2 4.5Å; F863-I917 HydrophobicContact CE1-CD1 4.05Å; F863-I917 HydrophobicContact CE1-CG1 3.95Å; F863-I917 HydrophobicContact CZ-CD1 4.44Å
864	R	72	Confident	67.4	Low	93 Å²	93	53 Å²	53	35%	0.351	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-41.8	172.8	-85.2	-176.9	-76.9	165.1	-7.7	112.8	A860 A861 K862 W866 M867 D868	A860-R864 WeakPolarHBondContact O-CB 3.39Å; A860-R864 WeakPolarHBondContact O-CG 3.28Å; A860-R864 PolarHBondContact O-N 2.86Å; A860-R864 PolarHBondContact O-NE 3.29Å; A861-R864 PolarHBondContact O-N 3.47Å; K862-R864 VanDerWaalsContact C-N 3.3Å; K862-R864 PolarHBondContact O-N 3.14Å; R864-W866 VanDerWaalsContact C-N 3.33Å; R864-W866 PolarHBondContact O-N 2.9Å; R864-M867 CarbonylContact O-C 3.56Å; R864-M867 WeakPolarHBondContact O-CB 3.31Å; R864-M867 PolarHBondContact O-N 3.12Å; R864-M867 VanDerWaalsContact O-N 3.16Å; R864-D868 WeakPolarHBondContact O-CB 3.46Å; R864-D868 VanDerWaalsContact O-CG 3.24Å; R864-D868 PolarHBondContact O-N 3.4Å
865	E	72.4	Confident	65.9	Low	107 Å²	107	51.8 Å²	51.8	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-44	174.4	-177.1	-174	175.2	0	0	111.8	T830 A861 K862 M867 D868 C869	T830-E865 HydrophobicContact CG2-CG 4.15Å; A861-E865 PolarHBondContact O-N 3.38Å; K862-E865 WeakPolarHBondContact O-CB 3.29Å; K862-E865 PolarHBondContact O-N 3.22Å; K862-E865 VanDerWaalsContact O-N 3.16Å; E865-M867 VanDerWaalsContact C-N 3.33Å; E865-M867 PolarHBondContact O-N 3.04Å; E865-D868 PolarHBondContact O-N 3.48Å; E865-C869 WeakPolarHBondContact O-CB 3.43Å; E865-C869 PolarHBondContact O-N 3.33Å
866	W	75	Confident	64.4	Low	23 Å²	23	58.3 Å²	58.3	9%	0.087	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-38.9	175	-56.5	-28.1	0	0	0	111.8	L826 V838 V842 L845 P858 K862 F863 R864 C869 L870	L826-W866 HydrophobicContact CD1-CG 4.43Å; L826-W866 HydrophobicContact CD2-CD2 3.91Å; L826-W866 VanDerWaalsContact CD2-CE2 3.46Å; L826-W866 HydrophobicContact CD2-CE3 4.21Å; L826-W866 HydrophobicContact CD2-CH2 3.67Å; L826-W866 HydrophobicContact CD2-CZ2 3.35Å; L826-W866 HydrophobicContact CD2-CZ3 4.08Å; L826-W866 HydrophobicContact CG-CZ2 4.17Å; V838-W866 HydrophobicContact CG1-CB 3.78Å; V838-W866 HydrophobicContact CG1-CG 4.4Å; V842-W866 HydrophobicContact CG1-CE3 4.44Å; V842-W866 HydrophobicContact CG2-CB 3.82Å; V842-W866 HydrophobicContact CG2-CD2 3.98Å; V842-W866 HydrophobicContact CG2-CE3 3.65Å; V842-W866 HydrophobicContact CG2-CG 4.08Å; V842-W866 HydrophobicContact CG2-CZ3 4.44Å; L845-W866 HydrophobicContact CD1-CH2 3.76Å; L845-W866 HydrophobicContact CD1-CZ3 4.12Å; P858-W866 HydrophobicContact CB-CH2 3.63Å; P858-W866 HydrophobicContact CB-CZ3 3.48Å; P858-W866 VanDerWaalsContact CB-CZ3 3.48Å; P858-W866 HydrophobicContact CG-CH2 4.33Å; P858-W866 HydrophobicContact CG-CZ3 3.75Å; K862-W866 HydrophobicContact CB-CH2 4.37Å; K862-W866 HydrophobicContact CB-CZ2 4.06Å; K862-W866 HydrophobicContact CD-CZ2 4.33Å; K862-W866 VanDerWaalsContact O-CD2 3.3Å; K862-W866 PolarHBondContact O-N 3.47Å; F863-W866 HydrophobicContact CB-CE3 4.4Å; F863-W866 HydrophobicContact CD2-CE3 4.09Å; F863-W866 HydrophobicContact CD2-CZ3 4.41Å; F863-W866 PolarHBondContact O-N 3.16Å; R864-W866 VanDerWaalsContact C-N 3.33Å; R864-W866 PolarHBondContact O-N 2.9Å; W866-C869 WeakPolarHBondContact O-CB 2.98Å; W866-C869 PolarHBondContact O-N 2.67Å; W866-L870 WeakPolarHBondContact O-CG 3.3Å; W866-L870 PolarHBondContact O-N 2.94Å
867	M	70.5	Confident	62.8	Low	0 Å²	0	56.3 Å²	56.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-41.7	174.6	-70.5	-39.7	-52.1	0	0	112.9	F863 R864 E865 C869 L870 L871 F887 W925	F863-M867 HydrophobicContact CD1-CG 3.79Å; F863-M867 HydrophobicContact CD1-SD 4.42Å; F863-M867 HydrophobicContact CE1-CG 3.69Å; F863-M867 HydrophobicContact CE1-SD 3.84Å; F863-M867 HydrophobicContact CZ-SD 4.16Å; F863-M867 VanDerWaalsContact O-CG 3.25Å; F863-M867 WeakPolarHBondContact O-CG 3.38Å; F863-M867 PolarHBondContact O-N 3.24Å; R864-M867 CarbonylContact O-C 3.56Å; R864-M867 WeakPolarHBondContact O-CB 3.31Å; R864-M867 PolarHBondContact O-N 3.12Å; R864-M867 VanDerWaalsContact O-N 3.16Å; E865-M867 VanDerWaalsContact C-N 3.33Å; E865-M867 PolarHBondContact O-N 3.04Å; M867-C869 VanDerWaalsContact C-N 3.28Å; M867-C869 PolarHBondContact O-N 3.39Å; M867-L870 HydrophobicContact CE-CB 4.27Å; M867-L870 HydrophobicContact CE-CD1 3.87Å; M867-L870 WeakPolarHBondContact O-CB 3.49Å; M867-L870 PolarHBondContact O-N 3.21Å; M867-L870 VanDerWaalsContact O-N 3.13Å; M867-L870 HydrophobicContact SD-CD1 3.82Å; M867-L871 HydrophobicContact CE-CD1 4.04Å; M867-L871 HydrophobicContact CE-CG 4.28Å; M867-L871 WeakPolarHBondContact O-CB 3.46Å; M867-L871 VanDerWaalsContact O-CG 3.3Å; M867-L871 WeakPolarHBondContact O-CG 3.37Å; M867-L871 PolarHBondContact O-N 3.5Å; M867-F887 HydrophobicContact CE-CD1 3.58Å; M867-F887 HydrophobicContact CE-CE1 3.15Å; M867-F887 HydrophobicContact CE-CZ 3.96Å; M867-F887 HydrophobicContact SD-CD1 4.15Å; M867-F887 HydrophobicContact SD-CE1 3.16Å; M867-F887 WeakPolarHBondContact SD-CE1 3.44Å; M867-F887 HydrophobicContact SD-CZ 3.36Å; M867-F887 WeakPolarHBondContact SD-CZ 3.4Å; M867-W925 HydrophobicContact CE-CZ2 3.49Å; M867-W925 VanDerWaalsContact CE-CZ2 3.49Å
868	D	68.2	Low	61.2	Low	68 Å²	68	58.6 Å²	58.6	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-37.8	175	-69	-19.3	0	0	0	110	R864 E865 L870 L871 C872 N922	R864-D868 WeakPolarHBondContact O-CB 3.46Å; R864-D868 VanDerWaalsContact O-CG 3.24Å; R864-D868 PolarHBondContact O-N 3.4Å; E865-D868 PolarHBondContact O-N 3.48Å; D868-L870 VanDerWaalsContact C-N 3.33Å; D868-L870 PolarHBondContact O-N 2.96Å; D868-L871 PolarHBondContact O-N 3.43Å; D868-C872 VanDerWaalsContact O-CA 3.26Å; D868-C872 WeakPolarHBondContact O-CA 3.33Å; D868-C872 WeakPolarHBondContact O-CB 3.41Å; D868-C872 PolarHBondContact O-N 2.96Å; D868-N922 PolarHBondContact OD1-ND2 3.24Å
869	C	65.8	Low	59.5	Low	8 Å²	8	60.3 Å²	60.3	5%	0.054	37%	0.369	C	S	.	.	H	α-helix	trans	-63.5	-38.3	172	-177.4	0	0	0	0	112.7	T830 R833 P835 V838 E865 W866 M867	T830-C869 HydrophobicContact CG2-CB 4.21Å; R833-C869 WeakPolarHBondContact CA-SG 3.15Å; P835-C869 WeakPolarHBondContact CG-O 3.36Å; V838-C869 HydrophobicContact CG2-CB 4.38Å; E865-C869 WeakPolarHBondContact O-CB 3.43Å; E865-C869 PolarHBondContact O-N 3.33Å; W866-C869 WeakPolarHBondContact O-CB 2.98Å; W866-C869 PolarHBondContact O-N 2.67Å; M867-C869 VanDerWaalsContact C-N 3.28Å; M867-C869 PolarHBondContact O-N 3.39Å
870	L	64.6	Low	57.7	Low	10 Å²	10	65.5 Å²	65.5	5%	0.052	39%	0.386	C	S	.	.	H	α-helix	trans	-69.5	-35	179.8	-77.4	167.5	0	0	0	113.1	P835 V838 L839 W866 M867 D868 L883 F887	P835-L870 HydrophobicContact CB-CD2 4.28Å; P835-L870 WeakPolarHBondContact O-CD2 3.42Å; V838-L870 HydrophobicContact CB-CD2 4.08Å; V838-L870 HydrophobicContact CB-CG 4.19Å; V838-L870 HydrophobicContact CG1-CD1 4.05Å; V838-L870 HydrophobicContact CG1-CD2 4.19Å; V838-L870 HydrophobicContact CG1-CG 3.81Å; L839-L870 HydrophobicContact CB-CD2 3.69Å; W866-L870 WeakPolarHBondContact O-CG 3.3Å; W866-L870 PolarHBondContact O-N 2.94Å; M867-L870 HydrophobicContact CE-CB 4.27Å; M867-L870 HydrophobicContact CE-CD1 3.87Å; M867-L870 WeakPolarHBondContact O-CB 3.49Å; M867-L870 PolarHBondContact O-N 3.21Å; M867-L870 VanDerWaalsContact O-N 3.13Å; M867-L870 HydrophobicContact SD-CD1 3.82Å; D868-L870 VanDerWaalsContact C-N 3.33Å; D868-L870 PolarHBondContact O-N 2.96Å; L870-L883 HydrophobicContact CD2-CD1 4.21Å; L870-F887 HydrophobicContact CD1-CE2 4.46Å; L870-F887 HydrophobicContact CD1-CZ 4.36Å
871	L	58.6	Low	56.4	Low	34 Å²	34	66.2 Å²	66.2	18%	0.178	38%	0.383	C	S	.	.	H	α-helix	trans	-107.2	-30.9	-169.9	-58.2	171.5	0	0	0	113.5	M867 D868 P884 A924 W925	M867-L871 HydrophobicContact CE-CD1 4.04Å; M867-L871 HydrophobicContact CE-CG 4.28Å; M867-L871 WeakPolarHBondContact O-CB 3.46Å; M867-L871 VanDerWaalsContact O-CG 3.3Å; M867-L871 WeakPolarHBondContact O-CG 3.37Å; M867-L871 PolarHBondContact O-N 3.5Å; D868-L871 PolarHBondContact O-N 3.43Å; L871-P884 HydrophobicContact CD2-CB 4.14Å; L871-P884 HydrophobicContact CD2-CG 3.74Å; L871-A924 HydrophobicContact CB-CB 3.46Å; L871-A924 VanDerWaalsContact CB-CB 3.46Å; L871-A924 HydrophobicContact CD1-CB 4.22Å; L871-A924 HydrophobicContact CG-CB 4.48Å; L871-W925 HydrophobicContact CD1-CB 4.26Å; L871-W925 HydrophobicContact CD1-CD2 3.76Å; L871-W925 HydrophobicContact CD1-CG 3.47Å; L871-W925 VanDerWaalsContact CD1-CG 3.47Å; L871-W925 VanDerWaalsContact CD1-NE1 3.3Å
872	C	52.8	Low	55.3	Low	55 Å²	55	65.3 Å²	65.3	37%	0.372	37%	0.371	S	S	.	.	S	Bend	trans	-101.1	70	176.1	-54.1	0	0	0	0	109.3	D868 A874 A924	D868-C872 VanDerWaalsContact O-CA 3.26Å; D868-C872 WeakPolarHBondContact O-CA 3.33Å; D868-C872 WeakPolarHBondContact O-CB 3.41Å; D868-C872 PolarHBondContact O-N 2.96Å; C872-A874 PolarHBondContact O-N 2.99Å; C872-A874 VanDerWaalsContact O-N 3.15Å; C872-A924 VanDerWaalsContact SG-CB 3.59Å
873	S	48.1	Very low	54.2	Low	61 Å²	61	60 Å²	60	43%	0.427	35%	0.349	S	S	.	.			trans	-58.6	122.6	170.4	58.2	0	0	0	0	109.1	S875	S873-S875 PolarHBondContact O-N 2.79Å
874	A	37	Very low	53.2	Low	53 Å²	53	60.9 Å²	60.9	44%	0.438	35%	0.354	S	S	.	.	S	Bend	trans	-74.4	97.6	174	0	0	0	0	0	108.9	R833 C872	R833-A874 VanDerWaalsContact CD-CB 3.49Å; C872-A874 PolarHBondContact O-N 2.99Å; C872-A874 VanDerWaalsContact O-N 3.15Å
875	S	38.6	Very low	52.4	Low	91 Å²	91	59.2 Å²	59.2	64%	0.636	35%	0.351	S	S	*	.	S	Bend	trans	161.8	121.1	139.1	45.1	0	0	0	0	111.4	S873 G877	S873-S875 PolarHBondContact O-N 2.79Å; S875-G877 PolarHBondContact O-N 2.86Å; S875-G877 VanDerWaalsContact O-N 3.1Å
876	D	38.6	Very low	51.6	Low	155 Å²	155	55.3 Å²	55.3	83%	0.829	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	25	73.6	150.9	-60	-24.7	0	0	0	116.5	L878	D876-L878 VanDerWaalsContact C-N 3.28Å; D876-L878 WeakPolarHBondContact O-CG 3.25Å; D876-L878 PolarHBondContact O-N 3.17Å
877	G	38.4	Very low	51.1	Low	88 Å²	88	54.3 Å²	54.3	91%	0.907	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	14.7	151.9	0	0	0	0	0	118.8	S875	S875-G877 PolarHBondContact O-N 2.86Å; S875-G877 VanDerWaalsContact O-N 3.1Å
878	L	38.9	Very low	50.7	Low	85 Å²	85	54.5 Å²	54.5	45%	0.445	33%	0.33	S	S	.	.			trans	-112.4	-7.3	-167.5	-81.4	167	0	0	0	117.1	M759 D876	M759-L878 VanDerWaalsContact O-O 3.09Å; D876-L878 VanDerWaalsContact C-N 3.28Å; D876-L878 WeakPolarHBondContact O-CG 3.25Å; D876-L878 PolarHBondContact O-N 3.17Å
879	V	37.2	Very low	50.4	Low	56 Å²	56	56.4 Å²	56.4	34%	0.339	34%	0.337	S	S	.	.			trans	-145.3	98	179.9	-160.7	0	0	0	0	112.7	M759 F881	M759-V879 HydrophobicContact CB-CG2 4.45Å; V879-F881 HydrophobicContact CG1-CD2 3.42Å; V879-F881 VanDerWaalsContact CG1-CD2 3.42Å; V879-F881 HydrophobicContact CG1-CE2 3.73Å; V879-F881 PolarHBondContact O-N 3.38Å
880	E	40.9	Very low	50.4	Low	174 Å²	174	56.2 Å²	56.2	81%	0.813	34%	0.336	S	S	*	.			trans	-79.6	103.6	160.8	-76.3	-178.1	172.4	0	0	108.5
881	F	42.6	Very low	50.6	Low	47 Å²	47	55.8 Å²	55.8	21%	0.206	33%	0.333	C	S	.	.			trans	-88.1	132.2	172.3	-114.1	-88	0	0	0	109.6	Q771 S775 V879 L883 P884	Q771-F881 HydrophobicContact CB-CE1 4.02Å; Q771-F881 HydrophobicContact CB-CE2 4.23Å; Q771-F881 HydrophobicContact CB-CZ 3.64Å; Q771-F881 WeakPolarHBondContact O-CZ 3.37Å; S775-F881 WeakPolarHBondContact OG-CE2 3.29Å; S775-F881 WeakPolarHBondContact OG-CZ 3.47Å; V879-F881 HydrophobicContact CG1-CD2 3.42Å; V879-F881 VanDerWaalsContact CG1-CD2 3.42Å; V879-F881 HydrophobicContact CG1-CE2 3.73Å; V879-F881 PolarHBondContact O-N 3.38Å; F881-L883 HydrophobicContact CB-CB 4.48Å; F881-L883 HydrophobicContact CB-CD1 3.92Å; F881-L883 HydrophobicContact CB-CG 4.05Å; F881-L883 HydrophobicContact CD1-CD1 4.01Å; F881-L883 HydrophobicContact CD1-CG 3.9Å; F881-L883 HydrophobicContact CG-CD1 4.1Å; F881-L883 HydrophobicContact CG-CG 4.32Å; F881-L883 PolarHBondContact O-N 3.43Å; F881-P884 WeakPolarHBondContact O-CD 3.48Å
882	P	48.5	Very low	50.9	Low	43 Å²	43	54.9 Å²	54.9	28%	0.279	33%	0.33	S	S	.	.			trans	-75.8	31.7	175.5	33.7	-36.4	0	0	0	112.8	R768 L886	R768-P882 HydrophobicContact CG-CG 4.34Å; P882-L886 PolarHBondContact O-N 3.1Å
883	L	53.8	Low	51.7	Low	10 Å²	10	55.8 Å²	55.8	5%	0.052	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-36.1	177.2	-79.4	165.1	0	0	0	113.6	P835 L839 L870 F881 E885 L886 F887	P835-L883 HydrophobicContact CB-CD1 3.25Å; P835-L883 HydrophobicContact CG-CD1 4.49Å; L839-L883 HydrophobicContact CB-CD2 4.08Å; L839-L883 HydrophobicContact CD2-CD2 3.37Å; L839-L883 HydrophobicContact CG-CD2 4.31Å; L870-L883 HydrophobicContact CD2-CD1 4.21Å; F881-L883 HydrophobicContact CB-CB 4.48Å; F881-L883 HydrophobicContact CB-CD1 3.92Å; F881-L883 HydrophobicContact CB-CG 4.05Å; F881-L883 HydrophobicContact CD1-CD1 4.01Å; F881-L883 HydrophobicContact CD1-CG 3.9Å; F881-L883 HydrophobicContact CG-CD1 4.1Å; F881-L883 HydrophobicContact CG-CG 4.32Å; F881-L883 PolarHBondContact O-N 3.43Å; L883-E885 VanDerWaalsContact C-N 3.32Å; L883-E885 PolarHBondContact O-N 3.44Å; L883-L886 PolarHBondContact O-N 2.94Å; L883-F887 WeakPolarHBondContact O-CB 3.49Å; L883-F887 PolarHBondContact O-N 2.83Å
884	P	54.1	Low	52.9	Low	17 Å²	17	52.9 Å²	52.9	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-39.5	-176.9	-17.6	27.5	0	0	0	112.7	L871 F881 S888 S928	L871-P884 HydrophobicContact CD2-CB 4.14Å; L871-P884 HydrophobicContact CD2-CG 3.74Å; F881-P884 WeakPolarHBondContact O-CD 3.48Å; P884-S888 WeakPolarHBondContact O-CB 3.46Å; P884-S888 PolarHBondContact O-N 2.62Å; P884-S888 PolarHBondContact O-OG 3.34Å; P884-S928 WeakPolarHBondContact CB-OG 3.08Å
885	E	55	Low	54.4	Low	59 Å²	59	50.6 Å²	50.6	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-69.3	-48.2	178.1	-64.7	72.2	-152.1	0	0	111.2	L883 F887 S888 H889 S929	L883-E885 VanDerWaalsContact C-N 3.32Å; L883-E885 PolarHBondContact O-N 3.44Å; E885-F887 VanDerWaalsContact C-N 3.34Å; E885-F887 PolarHBondContact O-N 2.65Å; E885-S888 WeakPolarHBondContact CA-OG 3.36Å; E885-S888 PolarHBondContact O-N 2.89Å; E885-S888 PolarHBondContact O-OG 3.41Å; E885-H889 WeakPolarHBondContact O-CB 3.25Å; E885-H889 PolarHBondContact O-N 2.99Å; E885-S929 WeakPolarHBondContact CG-OG 3.16Å; E885-S929 WeakPolarHBondContact OE1-CB 3.36Å; E885-S929 PolarHBondContact OE1-N 3.27Å; E885-S929 PolarHBondContact OE1-OG 2.92Å
886	L	56.6	Low	55.8	Low	24 Å²	24	48.3 Å²	48.3	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-46.2	177.8	-175.8	68.1	0	0	0	111	L839 P882 L883 H889 Q890	L839-L886 HydrophobicContact CD2-CD2 3.74Å; L839-L886 HydrophobicContact CD2-CG 4.18Å; P882-L886 PolarHBondContact O-N 3.1Å; L883-L886 PolarHBondContact O-N 2.94Å; L886-H889 PolarHBondContact O-N 3.29Å; L886-Q890 WeakPolarHBondContact O-CG 3.33Å; L886-Q890 PolarHBondContact O-N 2.9Å; L886-Q890 PolarHBondContact O-OE1 3.11Å
887	F	63.8	Low	57.3	Low	2 Å²	2	43.7 Å²	43.7	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-44.3	177.7	-176.4	-124.9	0	0	0	112.1	L839 V842 I843 F863 M867 L870 L883 E885 H889 Q890 L891 W925	L839-F887 HydrophobicContact CD1-CB 3.76Å; L839-F887 HydrophobicContact CD1-CD2 3.03Å; L839-F887 HydrophobicContact CD1-CE2 3.79Å; L839-F887 HydrophobicContact CD1-CG 3.75Å; V842-F887 HydrophobicContact CG1-CE2 4.16Å; V842-F887 HydrophobicContact CG1-CZ 4.25Å; I843-F887 HydrophobicContact CD1-CD2 3.88Å; I843-F887 HydrophobicContact CD1-CE2 3.78Å; I843-F887 HydrophobicContact CG1-CD2 4.34Å; I843-F887 HydrophobicContact CG1-CE2 4.29Å; F863-F887 AromaticContact CZ-CZ 3.95Å; F863-F887 HydrophobicContact CZ-CZ 3.95Å; M867-F887 HydrophobicContact CE-CD1 3.58Å; M867-F887 HydrophobicContact CE-CE1 3.15Å; M867-F887 HydrophobicContact CE-CZ 3.96Å; M867-F887 HydrophobicContact SD-CD1 4.15Å; M867-F887 HydrophobicContact SD-CE1 3.16Å; M867-F887 WeakPolarHBondContact SD-CE1 3.44Å; M867-F887 HydrophobicContact SD-CZ 3.36Å; M867-F887 WeakPolarHBondContact SD-CZ 3.4Å; L870-F887 HydrophobicContact CD1-CE2 4.46Å; L870-F887 HydrophobicContact CD1-CZ 4.36Å; L883-F887 WeakPolarHBondContact O-CB 3.49Å; L883-F887 PolarHBondContact O-N 2.83Å; E885-F887 VanDerWaalsContact C-N 3.34Å; E885-F887 PolarHBondContact O-N 2.65Å; F887-H889 VanDerWaalsContact C-N 3.27Å; F887-H889 PolarHBondContact O-N 2.91Å; F887-Q890 PolarHBondContact O-N 3.35Å; F887-L891 HydrophobicContact CD1-CD1 3.79Å; F887-L891 HydrophobicContact CD1-CG 4.37Å; F887-L891 HydrophobicContact CD2-CD1 4.29Å; F887-L891 HydrophobicContact CD2-CG 4.02Å; F887-L891 HydrophobicContact CE1-CD1 3.26Å; F887-L891 HydrophobicContact CE1-CG 4.02Å; F887-L891 HydrophobicContact CE2-CD1 3.96Å; F887-L891 HydrophobicContact CE2-CD2 3.99Å; F887-L891 HydrophobicContact CE2-CG 3.79Å; F887-L891 HydrophobicContact CG-CD1 4.31Å; F887-L891 HydrophobicContact CG-CG 4.41Å; F887-L891 HydrophobicContact CZ-CD1 3.45Å; F887-L891 VanDerWaalsContact CZ-CD1 3.45Å; F887-L891 HydrophobicContact CZ-CD2 4.01Å; F887-L891 HydrophobicContact CZ-CG 3.8Å; F887-L891 WeakPolarHBondContact O-CB 3.41Å; F887-L891 WeakPolarHBondContact O-CG 3.42Å; F887-L891 PolarHBondContact O-N 3.37Å; F887-W925 AromaticContact CD1-CH2 4Å; F887-W925 HydrophobicContact CD1-CH2 4Å; F887-W925 AromaticContact CD1-CZ2 3.82Å; F887-W925 HydrophobicContact CD1-CZ2 3.82Å; F887-W925 HydrophobicContact CE1-CH2 4.42Å; F887-W925 AromaticContact CE1-CZ2 3.88Å; F887-W925 HydrophobicContact CE1-CZ2 3.88Å
888	S	62	Low	59.1	Low	4 Å²	4	39.5 Å²	39.5	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-38.5	176.8	69.5	0	0	0	0	112.5	P884 E885 S892 G930	P884-S888 WeakPolarHBondContact O-CB 3.46Å; P884-S888 PolarHBondContact O-N 2.62Å; P884-S888 PolarHBondContact O-OG 3.34Å; E885-S888 WeakPolarHBondContact CA-OG 3.36Å; E885-S888 PolarHBondContact O-N 2.89Å; E885-S888 PolarHBondContact O-OG 3.41Å; S888-S892 WeakPolarHBondContact O-CB 3.49Å; S888-S892 PolarHBondContact O-N 3.5Å; S888-S892 PolarHBondContact O-OG 3.27Å; S888-G930 WeakPolarHBondContact CB-O 3.43Å; S888-G930 WeakPolarHBondContact OG-CA 3.42Å; S888-G930 PolarHBondContact OG-O 3.39Å
889	H	62.1	Low	60.5	Low	109 Å²	109	39.7 Å²	39.7	51%	0.505	20%	0.203	S	C	.	.	H	α-helix	trans	-67.5	-42.6	177.5	-173.1	63.1	0	0	0	111.2	E885 L886 F887 S892 Q893	E885-H889 WeakPolarHBondContact O-CB 3.25Å; E885-H889 PolarHBondContact O-N 2.99Å; L886-H889 PolarHBondContact O-N 3.29Å; F887-H889 VanDerWaalsContact C-N 3.27Å; F887-H889 PolarHBondContact O-N 2.91Å; H889-S892 VanDerWaalsContact O-CB 3.27Å; H889-S892 WeakPolarHBondContact O-CB 3.21Å; H889-S892 PolarHBondContact O-N 2.79Å; H889-Q893 PolarHBondContact CD2-NE2 3.31Å; H889-Q893 PolarHBondContact NE2-NE2 3.17Å; H889-Q893 WeakPolarHBondContact O-CG 3.48Å; H889-Q893 PolarHBondContact O-N 3.17Å
890	Q	65.6	Low	62.2	Low	4 Å²	4	44.9 Å²	44.9	2%	0.019	22%	0.223	C	C	.	.	H	α-helix	trans	-73.8	-38.8	-178.5	-70.1	165.9	-21	0	0	112.6	Y722 I843 L886 F887 S892 Q893 I894	Y722-Q890 HydrophobicContact CE2-CG 4.16Å; Y722-Q890 VanDerWaalsContact CZ-NE2 3.29Å; Y722-Q890 PolarHBondContact OH-NE2 3.38Å; Y722-Q890 PolarHBondContact OH-OE1 3.03Å; I843-Q890 HydrophobicContact CD1-CB 3.8Å; I843-Q890 HydrophobicContact CG1-CB 4.34Å; L886-Q890 WeakPolarHBondContact O-CG 3.33Å; L886-Q890 PolarHBondContact O-N 2.9Å; L886-Q890 PolarHBondContact O-OE1 3.11Å; F887-Q890 PolarHBondContact O-N 3.35Å; Q890-S892 PolarHBondContact O-N 2.81Å; Q890-Q893 WeakPolarHBondContact O-CB 3.2Å; Q890-Q893 PolarHBondContact O-N 2.8Å; Q890-Q893 VanDerWaalsContact O-N 3.16Å; Q890-I894 VanDerWaalsContact O-CG1 3.31Å; Q890-I894 WeakPolarHBondContact O-CG1 3.47Å; Q890-I894 PolarHBondContact O-N 3.15Å
891	L	69.5	Low	63.8	Low	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-38.2	168.7	-74.7	-177.9	0	0	0	111.4	I843 L846 F887 I894 I895 L913 I917 L934	I843-L891 HydrophobicContact CD1-CD2 4.01Å; I843-L891 HydrophobicContact CD1-CG 4.3Å; L846-L891 HydrophobicContact CD1-CD2 3.32Å; F887-L891 HydrophobicContact CD1-CD1 3.79Å; F887-L891 HydrophobicContact CD1-CG 4.37Å; F887-L891 HydrophobicContact CD2-CD1 4.29Å; F887-L891 HydrophobicContact CD2-CG 4.02Å; F887-L891 HydrophobicContact CE1-CD1 3.26Å; F887-L891 HydrophobicContact CE1-CG 4.02Å; F887-L891 HydrophobicContact CE2-CD1 3.96Å; F887-L891 HydrophobicContact CE2-CD2 3.99Å; F887-L891 HydrophobicContact CE2-CG 3.79Å; F887-L891 HydrophobicContact CG-CD1 4.31Å; F887-L891 HydrophobicContact CG-CG 4.41Å; F887-L891 HydrophobicContact CZ-CD1 3.45Å; F887-L891 VanDerWaalsContact CZ-CD1 3.45Å; F887-L891 HydrophobicContact CZ-CD2 4.01Å; F887-L891 HydrophobicContact CZ-CG 3.8Å; F887-L891 WeakPolarHBondContact O-CB 3.41Å; F887-L891 WeakPolarHBondContact O-CG 3.42Å; F887-L891 PolarHBondContact O-N 3.37Å; L891-I894 HydrophobicContact CD2-CD1 4.38Å; L891-I894 PolarHBondContact O-N 2.68Å; L891-I895 WeakPolarHBondContact O-CD1 3.24Å; L891-I895 WeakPolarHBondContact O-CG1 3.47Å; L891-I895 PolarHBondContact O-N 3.41Å; L891-L913 HydrophobicContact CD1-CD2 4.23Å; L891-L913 HydrophobicContact CD2-CD1 4.36Å; L891-L913 HydrophobicContact CD2-CD2 3.78Å; L891-I917 HydrophobicContact CD1-CD1 3.46Å; L891-I917 VanDerWaalsContact CD1-CD1 3.46Å; L891-L934 HydrophobicContact CB-CD1 3.43Å; L891-L934 VanDerWaalsContact CB-CD1 3.43Å; L891-L934 HydrophobicContact CB-CD2 4.27Å; L891-L934 HydrophobicContact CB-CG 4.49Å; L891-L934 HydrophobicContact CD1-CD1 4.16Å; L891-L934 HydrophobicContact CD1-CD2 3.49Å; L891-L934 VanDerWaalsContact CD1-CD2 3.49Å; L891-L934 HydrophobicContact CD1-CG 4.48Å; L891-L934 HydrophobicContact CG-CD1 4.48Å
892	S	65.3	Low	65.3	Low	16 Å²	16	40.1 Å²	40.1	11%	0.112	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-41.5	174	-61.2	0	0	0	0	112.6	S888 H889 Q890 I895 A896 S937	S888-S892 WeakPolarHBondContact O-CB 3.49Å; S888-S892 PolarHBondContact O-N 3.5Å; S888-S892 PolarHBondContact O-OG 3.27Å; H889-S892 VanDerWaalsContact O-CB 3.27Å; H889-S892 WeakPolarHBondContact O-CB 3.21Å; H889-S892 PolarHBondContact O-N 2.79Å; Q890-S892 PolarHBondContact O-N 2.81Å; S892-I895 PolarHBondContact O-N 2.86Å; S892-A896 PolarHBondContact O-N 3.17Å; S892-A896 VanDerWaalsContact O-N 3.09Å; S892-S937 WeakPolarHBondContact CB-OG 3.07Å; S892-S937 VanDerWaalsContact OG-CB 3.24Å; S892-S937 WeakPolarHBondContact OG-CB 3.43Å; S892-S937 PolarHBondContact OG-OG 3.46Å
893	Q	69.4	Low	66.4	Low	74 Å²	74	41.5 Å²	41.5	35%	0.346	22%	0.216	S	C	.	.	H	α-helix	trans	-64.2	-45.3	175.1	-71.1	176.7	-7.4	0	0	111.6	H889 Q890 I895 A896 E897	H889-Q893 PolarHBondContact CD2-NE2 3.31Å; H889-Q893 PolarHBondContact NE2-NE2 3.17Å; H889-Q893 WeakPolarHBondContact O-CG 3.48Å; H889-Q893 PolarHBondContact O-N 3.17Å; Q890-Q893 WeakPolarHBondContact O-CB 3.2Å; Q890-Q893 PolarHBondContact O-N 2.8Å; Q890-Q893 VanDerWaalsContact O-N 3.16Å; Q893-I895 VanDerWaalsContact C-N 3.29Å; Q893-I895 PolarHBondContact O-N 3.39Å; Q893-A896 WeakPolarHBondContact O-CA 3.21Å; Q893-A896 WeakPolarHBondContact O-CB 3.19Å; Q893-A896 PolarHBondContact O-N 3.32Å; Q893-E897 WeakPolarHBondContact O-CG 3.46Å; Q893-E897 PolarHBondContact O-N 3.46Å
894	I	72.1	Confident	67.3	Low	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.8	-45.1	175.5	-68.5	171.1	0	0	0	110.6	I843 L846 R847 Q890 L891 A896 E897 Y898	I843-I894 HydrophobicContact CB-CD1 4.35Å; I843-I894 HydrophobicContact CD1-CD1 3.54Å; I843-I894 HydrophobicContact CG2-CD1 3.81Å; L846-I894 HydrophobicContact CB-CD1 4Å; L846-I894 HydrophobicContact CD1-CD1 4.21Å; R847-I894 HydrophobicContact CG-CD1 4.17Å; R847-I894 HydrophobicContact CG-CG1 3.86Å; Q890-I894 VanDerWaalsContact O-CG1 3.31Å; Q890-I894 WeakPolarHBondContact O-CG1 3.47Å; Q890-I894 PolarHBondContact O-N 3.15Å; L891-I894 HydrophobicContact CD2-CD1 4.38Å; L891-I894 PolarHBondContact O-N 2.68Å; I894-A896 VanDerWaalsContact C-N 3.3Å; I894-A896 PolarHBondContact O-N 3.3Å; I894-E897 WeakPolarHBondContact O-CB 3.43Å; I894-E897 PolarHBondContact O-N 3.21Å; I894-Y898 HydrophobicContact CG2-CD2 3.53Å; I894-Y898 HydrophobicContact CG2-CE2 3.43Å; I894-Y898 VanDerWaalsContact CG2-CE2 3.43Å; I894-Y898 WeakPolarHBondContact O-CD2 2.85Å; I894-Y898 PolarHBondContact O-N 2.55Å
895	I	69.7	Low	68.2	Low	4 Å²	4	46.6 Å²	46.6	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-41.3	177.3	-69.2	160.2	0	0	0	111.3	L891 S892 Q893 Y898 K899 T910 L913 L934 C938 A941	L891-I895 WeakPolarHBondContact O-CD1 3.24Å; L891-I895 WeakPolarHBondContact O-CG1 3.47Å; L891-I895 PolarHBondContact O-N 3.41Å; S892-I895 PolarHBondContact O-N 2.86Å; Q893-I895 VanDerWaalsContact C-N 3.29Å; Q893-I895 PolarHBondContact O-N 3.39Å; I895-Y898 PolarHBondContact O-N 3.25Å; I895-K899 WeakPolarHBondContact O-CB 3.47Å; I895-K899 PolarHBondContact O-N 3.47Å; I895-T910 HydrophobicContact CG1-CG2 4.28Å; I895-T910 HydrophobicContact CG2-CG2 3.9Å; I895-L913 HydrophobicContact CD1-CD1 3.79Å; I895-L913 HydrophobicContact CG1-CD1 3.82Å; I895-L934 HydrophobicContact CD1-CD1 3.97Å; I895-C938 HydrophobicContact CD1-CB 4.27Å; I895-C938 WeakPolarHBondContact CD1-SG 3.49Å; I895-A941 HydrophobicContact CG2-CB 3.21Å
896	A	67.2	Low	69	Low	44 Å²	44	43.8 Å²	43.8	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-43.7	175.4	0	0	0	0	0	111.6	S892 Q893 I894 Y898 K899 E900	S892-A896 PolarHBondContact O-N 3.17Å; S892-A896 VanDerWaalsContact O-N 3.09Å; Q893-A896 WeakPolarHBondContact O-CA 3.21Å; Q893-A896 WeakPolarHBondContact O-CB 3.19Å; Q893-A896 PolarHBondContact O-N 3.32Å; I894-A896 VanDerWaalsContact C-N 3.3Å; I894-A896 PolarHBondContact O-N 3.3Å; A896-Y898 PolarHBondContact O-N 3.1Å; A896-K899 WeakPolarHBondContact O-CB 3.25Å; A896-K899 PolarHBondContact O-N 3.19Å; A896-K899 VanDerWaalsContact O-N 3.13Å; A896-E900 PolarHBondContact O-N 2.93Å
897	E	71.5	Confident	69.6	Low	57 Å²	57	48.1 Å²	48.1	27%	0.266	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-45	175.1	-71.2	162.1	-159.4	0	0	111.7	R847 L850 Q893 I894 K899 E900 T901	R847-E897 IonicContact CZ-OE1 3.16Å; R847-E897 VanDerWaalsContact CZ-OE1 3.31Å; R847-E897 IonicContact CZ-OE2 2.75Å; R847-E897 IonicContact NE-OE1 2.66Å; R847-E897 IonicContact NE-OE2 2.66Å; R847-E897 PolarHBondContact NE-OE2 3.09Å; R847-E897 IonicContact NH2-OE1 2.92Å; R847-E897 PolarHBondContact NH2-OE1 3.42Å; R847-E897 IonicContact NH2-OE2 3.21Å; L850-E897 HydrophobicContact CD1-CB 3.83Å; Q893-E897 WeakPolarHBondContact O-CG 3.46Å; Q893-E897 PolarHBondContact O-N 3.46Å; I894-E897 WeakPolarHBondContact O-CB 3.43Å; I894-E897 PolarHBondContact O-N 3.21Å; E897-K899 VanDerWaalsContact C-N 3.28Å; E897-K899 PolarHBondContact O-N 3.34Å; E897-E900 PolarHBondContact O-N 3.2Å; E897-T901 WeakPolarHBondContact O-CB 3.28Å; E897-T901 WeakPolarHBondContact O-CG2 3.47Å; E897-T901 PolarHBondContact O-N 3.21Å; E897-T901 PolarHBondContact O-OG1 3.49Å
898	Y	75.1	Confident	70	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-40.7	173.2	-89.5	-75.5	0	0	0	111.9	L846 F849 L850 I894 I895 A896 E900 K902 K905 V909	L846-Y898 PolarHBondContact O-OH 2.86Å; F849-Y898 VanDerWaalsContact CB-OH 3.25Å; F849-Y898 WeakPolarHBondContact CB-OH 3.34Å; F849-Y898 AromaticContact CD1-CE1 3.76Å; F849-Y898 HydrophobicContact CD1-CE1 3.76Å; F849-Y898 AromaticContact CD1-CZ 3.92Å; F849-Y898 VanDerWaalsContact CD1-OH 3.29Å; F849-Y898 WeakPolarHBondContact CD1-OH 3.44Å; F849-Y898 HydrophobicContact CE1-CE1 4.39Å; L850-Y898 HydrophobicContact CD1-CD2 4.23Å; L850-Y898 HydrophobicContact CD1-CE2 4Å; L850-Y898 HydrophobicContact CD2-CD1 3.26Å; L850-Y898 HydrophobicContact CD2-CD2 3.79Å; L850-Y898 HydrophobicContact CD2-CE1 3.26Å; L850-Y898 HydrophobicContact CD2-CE2 3.79Å; L850-Y898 HydrophobicContact CD2-CG 3.51Å; L850-Y898 HydrophobicContact CG-CD1 4.19Å; L850-Y898 HydrophobicContact CG-CD2 4.11Å; L850-Y898 HydrophobicContact CG-CE1 3.76Å; L850-Y898 HydrophobicContact CG-CE2 3.67Å; L850-Y898 HydrophobicContact CG-CG 4.32Å; L850-Y898 VanDerWaalsContact CG-CZ 3.45Å; L850-Y898 PolarHBondContact N-OH 3.36Å; I894-Y898 HydrophobicContact CG2-CD2 3.53Å; I894-Y898 HydrophobicContact CG2-CE2 3.43Å; I894-Y898 VanDerWaalsContact CG2-CE2 3.43Å; I894-Y898 WeakPolarHBondContact O-CD2 2.85Å; I894-Y898 PolarHBondContact O-N 2.55Å; I895-Y898 PolarHBondContact O-N 3.25Å; A896-Y898 PolarHBondContact O-N 3.1Å; Y898-E900 VanDerWaalsContact C-N 3.34Å; Y898-K902 HydrophobicContact CD1-CB 4.47Å; Y898-K902 CarbonylContact O-C 3.58Å; Y898-K902 WeakPolarHBondContact O-CA 3.31Å; Y898-K902 PolarHBondContact O-N 3.31Å; Y898-K905 HydrophobicContact CD1-CB 4.27Å; Y898-K905 HydrophobicContact CE1-CB 4.39Å; Y898-V909 HydrophobicContact CD1-CG2 3.89Å; Y898-V909 HydrophobicContact CD2-CB 4.32Å; Y898-V909 HydrophobicContact CD2-CG1 3.98Å; Y898-V909 HydrophobicContact CD2-CG2 4.09Å; Y898-V909 HydrophobicContact CE1-CG2 3.61Å; Y898-V909 HydrophobicContact CE2-CB 4.41Å; Y898-V909 HydrophobicContact CE2-CG1 3.98Å; Y898-V909 HydrophobicContact CE2-CG2 3.84Å; Y898-V909 HydrophobicContact CG-CB 4.47Å; Y898-V909 HydrophobicContact CG-CG2 4.14Å
899	K	69.5	Low	70.6	Confident	89 Å²	89	52.3 Å²	52.3	39%	0.387	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-41.7	178.9	179.4	-176.8	170.8	-177.9	0	111.5	I895 A896 E897 T944	I895-K899 WeakPolarHBondContact O-CB 3.47Å; I895-K899 PolarHBondContact O-N 3.47Å; A896-K899 WeakPolarHBondContact O-CB 3.25Å; A896-K899 PolarHBondContact O-N 3.19Å; A896-K899 VanDerWaalsContact O-N 3.13Å; E897-K899 VanDerWaalsContact C-N 3.28Å; E897-K899 PolarHBondContact O-N 3.34Å; K899-T944 VanDerWaalsContact CE-OG1 3.25Å; K899-T944 WeakPolarHBondContact CE-OG1 3.29Å; K899-T944 PolarHBondContact NZ-OG1 2.67Å
900	E	72.1	Confident	70.9	Confident	165 Å²	165	47.3 Å²	47.3	77%	0.771	25%	0.253	S	S	*	.	H	α-helix	trans	-77.1	-41.4	-178.2	-71.4	179.7	-178.8	0	0	112.7	A896 E897 Y898	A896-E900 PolarHBondContact O-N 2.93Å; E897-E900 PolarHBondContact O-N 3.2Å; Y898-E900 VanDerWaalsContact C-N 3.34Å
901	T	75.2	Confident	71	Confident	88 Å²	88	49.4 Å²	49.4	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-96.9	-36.8	-171.3	61.7	0	0	0	0	113.8	L850 E897	L850-T901 WeakPolarHBondContact CD2-OG1 3.42Å; E897-T901 WeakPolarHBondContact O-CB 3.28Å; E897-T901 WeakPolarHBondContact O-CG2 3.47Å; E897-T901 PolarHBondContact O-N 3.21Å; E897-T901 PolarHBondContact O-OG1 3.49Å
902	K	74.1	Confident	71.2	Confident	34 Å²	34	50.5 Å²	50.5	15%	0.148	27%	0.271	C	S	.	.			trans	-141.6	67.7	-174.8	-63.3	-165.6	-175.1	176.7	0	112	F849 L850 Y898 S904 K905 C906	F849-K902 PolarHBondContact O-NZ 2.98Å; L850-K902 WeakPolarHBondContact O-CE 3.36Å; L850-K902 PolarHBondContact O-NZ 2.87Å; Y898-K902 HydrophobicContact CD1-CB 4.47Å; Y898-K902 CarbonylContact O-C 3.58Å; Y898-K902 WeakPolarHBondContact O-CA 3.31Å; Y898-K902 PolarHBondContact O-N 3.31Å; K902-S904 VanDerWaalsContact C-N 3.25Å; K902-S904 PolarHBondContact O-N 3.08Å; K902-S904 VanDerWaalsContact O-N 3.14Å; K902-K905 HydrophobicContact CB-CB 4.26Å; K902-K905 HydrophobicContact CD-CD 3.96Å; K902-K905 PolarHBondContact O-N 2.67Å; K902-C906 PolarHBondContact O-N 3.35Å; K902-C906 VanDerWaalsContact O-N 3.08Å
903	P	71.4	Confident	71.4	Confident	72 Å²	72	49.7 Å²	49.7	47%	0.468	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-30.3	-172.6	20	-32	0	0	0	114.2	C906	P903-C906 WeakPolarHBondContact O-CB 3.16Å; P903-C906 PolarHBondContact O-N 3.33Å
904	S	71.6	Confident	71.2	Confident	98 Å²	98	46.4 Å²	46.4	69%	0.685	25%	0.25	S	C	*	.	H	α-helix	trans	-64.2	-41.7	175.5	53.7	0	0	0	0	112.7	K902	K902-S904 VanDerWaalsContact C-N 3.25Å; K902-S904 PolarHBondContact O-N 3.08Å; K902-S904 VanDerWaalsContact O-N 3.14Å
905	K	73.1	Confident	70.7	Confident	36 Å²	36	48.9 Å²	48.9	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-79.6	-20.3	178.2	-71.8	179.7	167.2	-165.7	0	112.9	F849 Y898 K902 K907 D908 V909	F849-K905 HydrophobicContact CD1-CD 4.27Å; F849-K905 HydrophobicContact CE1-CB 4.09Å; F849-K905 HydrophobicContact CE1-CD 3.5Å; F849-K905 HydrophobicContact CE1-CG 4Å; F849-K905 HydrophobicContact CE2-CD 4.31Å; F849-K905 HydrophobicContact CZ-CD 3.55Å; F849-K905 VanDerWaalsContact CZ-CE 3.44Å; F849-K905 HydrophobicContact CZ-CG 4.18Å; F849-K905 VanDerWaalsContact CZ-NZ 3.33Å; Y898-K905 HydrophobicContact CD1-CB 4.27Å; Y898-K905 HydrophobicContact CE1-CB 4.39Å; K902-K905 HydrophobicContact CB-CB 4.26Å; K902-K905 HydrophobicContact CD-CD 3.96Å; K902-K905 PolarHBondContact O-N 2.67Å; K905-K907 PolarHBondContact O-N 3.06Å; K905-D908 PolarHBondContact O-N 2.87Å; K905-V909 PolarHBondContact O-N 2.73Å; K905-V909 VanDerWaalsContact O-N 3.08Å
906	C	72.9	Confident	70.3	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.8	-36.3	177.1	-171.9	0	0	0	0	111.9	K902 P903 T910	K902-C906 PolarHBondContact O-N 3.35Å; K902-C906 VanDerWaalsContact O-N 3.08Å; P903-C906 WeakPolarHBondContact O-CB 3.16Å; P903-C906 PolarHBondContact O-N 3.33Å; C906-T910 WeakPolarHBondContact O-CB 3.32Å; C906-T910 VanDerWaalsContact O-CG2 3.28Å; C906-T910 WeakPolarHBondContact O-CG2 3.46Å; C906-T910 PolarHBondContact O-N 2.86Å; C906-T910 PolarHBondContact O-OG1 3.34Å
907	K	69.2	Low	69.9	Low	114 Å²	114	47.2 Å²	47.2	50%	0.496	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-43.2	175.4	-171.1	-179.5	177.4	-174.9	0	112.7	K905 T910 T911 V945	K905-K907 PolarHBondContact O-N 3.06Å; K907-T910 WeakPolarHBondContact CA-OG1 3.3Å; K907-T910 PolarHBondContact O-OG1 2.88Å; K907-T911 VanDerWaalsContact O-CB 3.23Å; K907-T911 WeakPolarHBondContact O-CB 3.35Å; K907-T911 PolarHBondContact O-N 2.95Å; K907-T911 PolarHBondContact O-OG1 3.25Å; K907-V945 HydrophobicContact CB-CG1 4.37Å
908	D	71.5	Confident	69	Low	94 Å²	94	45.3 Å²	45.3	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-68.1	-42.1	-178.8	-62.2	-27.3	0	0	0	111	K905 T911 F912	K905-D908 PolarHBondContact O-N 2.87Å; D908-T911 PolarHBondContact O-N 3.34Å; D908-F912 WeakPolarHBondContact O-CB 3.27Å; D908-F912 PolarHBondContact O-N 3.33Å
909	V	74.5	Confident	67.6	Low	1 Å²	1	46.9 Å²	46.9	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-47.2	177.7	177.4	0	0	0	0	111.2	F849 L857 Y898 K905 T911 F912 L913	F849-V909 HydrophobicContact CD1-CG2 4.37Å; L857-V909 HydrophobicContact CD1-CG2 4.02Å; L857-V909 HydrophobicContact CD2-CG2 4.31Å; Y898-V909 HydrophobicContact CD1-CG2 3.89Å; Y898-V909 HydrophobicContact CD2-CB 4.32Å; Y898-V909 HydrophobicContact CD2-CG1 3.98Å; Y898-V909 HydrophobicContact CD2-CG2 4.09Å; Y898-V909 HydrophobicContact CE1-CG2 3.61Å; Y898-V909 HydrophobicContact CE2-CB 4.41Å; Y898-V909 HydrophobicContact CE2-CG1 3.98Å; Y898-V909 HydrophobicContact CE2-CG2 3.84Å; Y898-V909 HydrophobicContact CG-CB 4.47Å; Y898-V909 HydrophobicContact CG-CG2 4.14Å; K905-V909 PolarHBondContact O-N 2.73Å; K905-V909 VanDerWaalsContact O-N 3.08Å; V909-T911 VanDerWaalsContact C-N 3.29Å; V909-T911 PolarHBondContact O-N 2.99Å; V909-F912 WeakPolarHBondContact O-CB 3.33Å; V909-F912 PolarHBondContact O-N 3.4Å; V909-L913 HydrophobicContact CG1-CD1 3.97Å; V909-L913 HydrophobicContact CG1-CG 4.34Å; V909-L913 WeakPolarHBondContact O-CB 3.49Å; V909-L913 VanDerWaalsContact O-CG 3.26Å; V909-L913 WeakPolarHBondContact O-CG 3.08Å; V909-L913 PolarHBondContact O-N 3.32Å
910	T	68.6	Low	66.5	Low	4 Å²	4	45.1 Å²	45.1	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-40.6	176	49.2	0	0	0	0	111	I895 C906 K907 L913 F914 A941	I895-T910 HydrophobicContact CG1-CG2 4.28Å; I895-T910 HydrophobicContact CG2-CG2 3.9Å; C906-T910 WeakPolarHBondContact O-CB 3.32Å; C906-T910 VanDerWaalsContact O-CG2 3.28Å; C906-T910 WeakPolarHBondContact O-CG2 3.46Å; C906-T910 PolarHBondContact O-N 2.86Å; C906-T910 PolarHBondContact O-OG1 3.34Å; K907-T910 WeakPolarHBondContact CA-OG1 3.3Å; K907-T910 PolarHBondContact O-OG1 2.88Å; T910-L913 PolarHBondContact O-N 3.28Å; T910-F914 WeakPolarHBondContact O-CB 3.39Å; T910-F914 WeakPolarHBondContact O-CD2 3.35Å; T910-F914 PolarHBondContact O-N 2.85Å; T910-A941 HydrophobicContact CG2-CB 3.87Å
911	T	67.1	Low	65.3	Low	47 Å²	47	45.8 Å²	45.8	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-47.9	175.3	-59.2	0	0	0	0	112.1	K907 D908 V909 L913 F914 S915 F952	K907-T911 VanDerWaalsContact O-CB 3.23Å; K907-T911 WeakPolarHBondContact O-CB 3.35Å; K907-T911 PolarHBondContact O-N 2.95Å; K907-T911 PolarHBondContact O-OG1 3.25Å; D908-T911 PolarHBondContact O-N 3.34Å; V909-T911 VanDerWaalsContact C-N 3.29Å; V909-T911 PolarHBondContact O-N 2.99Å; T911-L913 PolarHBondContact O-N 3.01Å; T911-F914 PolarHBondContact O-N 3.49Å; T911-S915 WeakPolarHBondContact O-CB 3.37Å; T911-S915 PolarHBondContact O-N 2.8Å; T911-S915 PolarHBondContact O-OG 3.1Å; T911-F952 HydrophobicContact CG2-CE2 3.71Å; T911-F952 HydrophobicContact CG2-CZ 3.95Å; T911-F952 VanDerWaalsContact OG1-CE2 3.29Å; T911-F952 WeakPolarHBondContact OG1-CE2 3.34Å
912	F	73	Confident	64.2	Low	23 Å²	23	42.4 Å²	42.4	10%	0.101	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-49.2	175.4	168.2	-99.6	0	0	0	111.3	L846 L857 P858 A860 F863 D908 V909 S915 T916	L846-F912 HydrophobicContact CD2-CD1 4.37Å; L846-F912 HydrophobicContact CD2-CE1 3.94Å; L857-F912 HydrophobicContact CD1-CB 4.27Å; L857-F912 HydrophobicContact CD1-CG 4.4Å; P858-F912 HydrophobicContact CG-CE1 4.44Å; P858-F912 HydrophobicContact CG-CZ 3.94Å; P858-F912 WeakPolarHBondContact O-CE2 3.4Å; P858-F912 WeakPolarHBondContact O-CZ 3.35Å; A860-F912 HydrophobicContact CB-CE2 4.47Å; F863-F912 HydrophobicContact CB-CE1 4.45Å; F863-F912 HydrophobicContact CB-CE2 4.31Å; F863-F912 HydrophobicContact CB-CZ 3.59Å; F863-F912 HydrophobicContact CD1-CE1 4.35Å; F863-F912 HydrophobicContact CD1-CZ 4.22Å; F863-F912 AromaticContact CD2-CE1 3.73Å; F863-F912 HydrophobicContact CD2-CE1 3.73Å; F863-F912 AromaticContact CD2-CZ 3.65Å; F863-F912 HydrophobicContact CD2-CZ 3.65Å; F863-F912 AromaticContact CE2-CE1 3.96Å; F863-F912 HydrophobicContact CE2-CE1 3.96Å; F863-F912 HydrophobicContact CE2-CZ 4.34Å; F863-F912 AromaticContact CG-CE1 3.93Å; F863-F912 HydrophobicContact CG-CE1 3.93Å; F863-F912 AromaticContact CG-CZ 3.55Å; F863-F912 HydrophobicContact CG-CZ 3.55Å; F863-F912 HydrophobicContact CZ-CE1 4.35Å; D908-F912 WeakPolarHBondContact O-CB 3.27Å; D908-F912 PolarHBondContact O-N 3.33Å; V909-F912 WeakPolarHBondContact O-CB 3.33Å; V909-F912 PolarHBondContact O-N 3.4Å; F912-S915 PolarHBondContact O-N 3.45Å; F912-S915 PolarHBondContact O-OG 3.13Å; F912-T916 HydrophobicContact CD2-CG2 4.25Å; F912-T916 HydrophobicContact CE2-CG2 3.87Å; F912-T916 HydrophobicContact CZ-CG2 4.16Å; F912-T916 WeakPolarHBondContact O-CB 3.44Å; F912-T916 WeakPolarHBondContact O-CG2 3.25Å; F912-T916 PolarHBondContact O-N 3.3Å; F912-T916 VanDerWaalsContact O-N 3.13Å; F912-T916 PolarHBondContact O-OG1 2.86Å
913	L	71.2	Confident	63.1	Low	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-46.1	178.7	-69.3	174.5	0	0	0	111.6	L846 F863 L891 I895 V909 T910 T911 S915 T916 I917	L846-L913 HydrophobicContact CD1-CD2 4.21Å; F863-L913 HydrophobicContact CE1-CD2 4.29Å; F863-L913 HydrophobicContact CE2-CD2 4.49Å; F863-L913 HydrophobicContact CZ-CD2 3.8Å; L891-L913 HydrophobicContact CD1-CD2 4.23Å; L891-L913 HydrophobicContact CD2-CD1 4.36Å; L891-L913 HydrophobicContact CD2-CD2 3.78Å; I895-L913 HydrophobicContact CD1-CD1 3.79Å; I895-L913 HydrophobicContact CG1-CD1 3.82Å; V909-L913 HydrophobicContact CG1-CD1 3.97Å; V909-L913 HydrophobicContact CG1-CG 4.34Å; V909-L913 WeakPolarHBondContact O-CB 3.49Å; V909-L913 VanDerWaalsContact O-CG 3.26Å; V909-L913 WeakPolarHBondContact O-CG 3.08Å; V909-L913 PolarHBondContact O-N 3.32Å; T910-L913 PolarHBondContact O-N 3.28Å; T911-L913 PolarHBondContact O-N 3.01Å; L913-S915 PolarHBondContact O-N 3.39Å; L913-T916 PolarHBondContact O-N 3.28Å; L913-T916 PolarHBondContact O-OG1 3.36Å; L913-T916 VanDerWaalsContact O-OG1 3.1Å; L913-I917 HydrophobicContact CB-CD1 4.19Å; L913-I917 HydrophobicContact CD2-CD1 3.86Å; L913-I917 WeakPolarHBondContact O-CB 3.42Å; L913-I917 VanDerWaalsContact O-CG1 3.28Å; L913-I917 WeakPolarHBondContact O-CG1 3.26Å; L913-I917 PolarHBondContact O-N 2.89Å
914	F	64.4	Low	62	Low	4 Å²	4	41.2 Å²	41.2	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-42.6	176.5	-84.7	-67.2	0	0	0	112.6	T910 T911 T916 S918 M935 C938 F952 L956	T910-F914 WeakPolarHBondContact O-CB 3.39Å; T910-F914 WeakPolarHBondContact O-CD2 3.35Å; T910-F914 PolarHBondContact O-N 2.85Å; T911-F914 PolarHBondContact O-N 3.49Å; F914-T916 VanDerWaalsContact C-N 3.25Å; F914-T916 PolarHBondContact O-N 3.45Å; F914-S918 WeakPolarHBondContact O-CB 3.46Å; F914-S918 PolarHBondContact O-N 3.43Å; F914-S918 VanDerWaalsContact O-N 3.09Å; F914-M935 HydrophobicContact CD1-CE 3.89Å; F914-M935 HydrophobicContact CD1-SD 3.66Å; F914-M935 HydrophobicContact CE1-CE 3.49Å; F914-M935 VanDerWaalsContact CE1-CE 3.49Å; F914-M935 HydrophobicContact CE1-SD 3.47Å; F914-M935 WeakPolarHBondContact CE1-SD 3.33Å; F914-C938 HydrophobicContact CD1-CB 4.47Å; F914-C938 HydrophobicContact CD2-CB 3.83Å; F914-C938 HydrophobicContact CE1-CB 3.86Å; F914-C938 HydrophobicContact CE2-CB 3.18Å; F914-C938 HydrophobicContact CG-CB 4.47Å; F914-C938 HydrophobicContact CZ-CB 3.19Å; F914-F952 HydrophobicContact CB-CE1 4.12Å; F914-F952 HydrophobicContact CB-CZ 4.21Å; F914-F952 HydrophobicContact CD2-CD1 4.29Å; F914-F952 AromaticContact CD2-CE1 3.33Å; F914-F952 HydrophobicContact CD2-CE1 3.33Å; F914-F952 HydrophobicContact CD2-CZ 4.06Å; F914-F952 HydrophobicContact CE2-CD1 4.3Å; F914-F952 AromaticContact CE2-CE1 3.77Å; F914-F952 HydrophobicContact CE2-CE1 3.77Å; F914-F952 AromaticContact CG-CE1 3.91Å; F914-F952 HydrophobicContact CG-CE1 3.91Å; F914-F952 HydrophobicContact CG-CZ 4.47Å; F914-L956 HydrophobicContact CB-CD1 3.59Å; F914-L956 HydrophobicContact CB-CD2 4.25Å; F914-L956 HydrophobicContact CG-CD1 4.17Å
915	S	61.2	Low	61	Low	52 Å²	52	36.6 Å²	36.6	36%	0.364	20%	0.196	S	C	.	.	H	α-helix	trans	-66.9	-25.9	-179.2	74.2	0	0	0	0	113.7	T911 F912 L913	T911-S915 WeakPolarHBondContact O-CB 3.37Å; T911-S915 PolarHBondContact O-N 2.8Å; T911-S915 PolarHBondContact O-OG 3.1Å; F912-S915 PolarHBondContact O-N 3.45Å; F912-S915 PolarHBondContact O-OG 3.13Å; L913-S915 PolarHBondContact O-N 3.39Å
916	T	62.8	Low	60	Low	6 Å²	6	40.2 Å²	40.2	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-98	-32.2	-177.2	50.4	0	0	0	0	113.5	A860 F863 F912 L913 F914	A860-T916 VanDerWaalsContact CA-CG2 3.48Å; A860-T916 HydrophobicContact CB-CG2 3.5Å; A860-T916 VanDerWaalsContact CB-CG2 3.5Å; F863-T916 HydrophobicContact CB-CG2 4.28Å; F863-T916 HydrophobicContact CD1-CG2 4.07Å; F863-T916 WeakPolarHBondContact CD1-OG1 3.32Å; F863-T916 HydrophobicContact CG-CG2 4.5Å; F912-T916 HydrophobicContact CD2-CG2 4.25Å; F912-T916 HydrophobicContact CE2-CG2 3.87Å; F912-T916 HydrophobicContact CZ-CG2 4.16Å; F912-T916 WeakPolarHBondContact O-CB 3.44Å; F912-T916 WeakPolarHBondContact O-CG2 3.25Å; F912-T916 PolarHBondContact O-N 3.3Å; F912-T916 VanDerWaalsContact O-N 3.13Å; F912-T916 PolarHBondContact O-OG1 2.86Å; L913-T916 PolarHBondContact O-N 3.28Å; L913-T916 PolarHBondContact O-OG1 3.36Å; L913-T916 VanDerWaalsContact O-OG1 3.1Å; F914-T916 VanDerWaalsContact C-N 3.25Å; F914-T916 PolarHBondContact O-N 3.45Å
917	I	58.3	Low	58.9	Low	7 Å²	7	48.5 Å²	48.5	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-97.3	-10.9	-174.5	-59.8	174.1	0	0	0	112.3	F863 L891 L913 W925 L934	F863-I917 HydrophobicContact CE1-CD1 4.05Å; F863-I917 HydrophobicContact CE1-CG1 3.95Å; F863-I917 HydrophobicContact CZ-CD1 4.44Å; L891-I917 HydrophobicContact CD1-CD1 3.46Å; L891-I917 VanDerWaalsContact CD1-CD1 3.46Å; L913-I917 HydrophobicContact CB-CD1 4.19Å; L913-I917 HydrophobicContact CD2-CD1 3.86Å; L913-I917 WeakPolarHBondContact O-CB 3.42Å; L913-I917 VanDerWaalsContact O-CG1 3.28Å; L913-I917 WeakPolarHBondContact O-CG1 3.26Å; L913-I917 PolarHBondContact O-N 2.89Å; I917-W925 HydrophobicContact CD1-CZ2 4.38Å; I917-W925 HydrophobicContact CG1-CZ2 4.34Å; I917-W925 HydrophobicContact CG2-CD2 3.96Å; I917-W925 HydrophobicContact CG2-CE3 4.33Å; I917-W925 HydrophobicContact CG2-CH2 4.01Å; I917-W925 HydrophobicContact CG2-CZ2 3.59Å; I917-W925 HydrophobicContact CG2-CZ3 4.36Å; I917-L934 HydrophobicContact CD1-CD2 3.67Å; I917-L934 HydrophobicContact CG2-CD2 4.03Å
918	S	52.6	Low	58	Low	18 Å²	18	43.5 Å²	43.5	13%	0.126	23%	0.227	C	C	.	.			trans	-43.8	124.5	-174.9	178.1	0	0	0	0	112.9	F914 V920 R921	F914-S918 WeakPolarHBondContact O-CB 3.46Å; F914-S918 PolarHBondContact O-N 3.43Å; F914-S918 VanDerWaalsContact O-N 3.09Å; S918-V920 PolarHBondContact O-N 3.13Å; S918-R921 PolarHBondContact O-N 3.03Å; S918-R921 VanDerWaalsContact O-N 3.09Å
919	P	45.6	Very low	57	Low	33 Å²	33	42.4 Å²	42.4	21%	0.214	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	-175.1	21.4	-31.4	0	0	0	113	R921 R926	P919-R921 VanDerWaalsContact C-N 3.27Å; P919-R921 PolarHBondContact O-N 2.98Å; P919-R926 WeakPolarHBondContact O-CG 3.01Å; P919-R926 PolarHBondContact O-NE 3.09Å
920	V	46.8	Very low	55.9	Low	51 Å²	51	42.4 Å²	42.4	31%	0.309	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-37.1	178.5	-174	0	0	0	0	111.2	S918 R926 V969	S918-V920 PolarHBondContact O-N 3.13Å; V920-R926 PolarHBondContact O-NH2 3.05Å; V920-V969 HydrophobicContact CB-CG2 4.44Å; V920-V969 HydrophobicContact CG1-CG2 3.68Å; V920-V969 HydrophobicContact CG2-CG1 4.14Å; V920-V969 HydrophobicContact CG2-CG2 3.83Å
921	R	46.7	Very low	55.3	Low	179 Å²	179	44.4 Å²	44.4	68%	0.675	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-18.7	-168.8	-68.3	-172.7	177.5	-179.8	-0.6	115.5	S918 P919	S918-R921 PolarHBondContact O-N 3.03Å; S918-R921 VanDerWaalsContact O-N 3.09Å; P919-R921 VanDerWaalsContact C-N 3.27Å; P919-R921 PolarHBondContact O-N 2.98Å
922	N	50.6	Low	54.6	Low	18 Å²	18	44.1 Å²	44.1	10%	0.096	23%	0.234	C	C	.	.			trans	-126.6	106.3	-171.4	-161.2	-25.2	0	0	0	112.5	D868 A924 W925 R926	D868-N922 PolarHBondContact OD1-ND2 3.24Å; N922-A924 PolarHBondContact O-N 3.36Å; N922-A924 PolarHBondContact OD1-N 3.43Å; N922-W925 HydrophobicContact CB-CB 4.27Å; N922-W925 PolarHBondContact O-N 2.74Å; N922-W925 VanDerWaalsContact O-N 3.1Å; N922-R926 PolarHBondContact O-N 3.3Å
923	A	51.5	Low	53.6	Low	64 Å²	64	44.7 Å²	44.7	53%	0.529	24%	0.24	S	C	.	.	H	α-helix	trans	-57.9	-31.7	-179.2	0	0	0	0	0	112.9	R926	A923-R926 WeakPolarHBondContact O-CB 3.32Å; A923-R926 PolarHBondContact O-N 3.33Å
924	A	48.6	Very low	52.9	Low	17 Å²	17	44.8 Å²	44.8	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-32.9	179.8	0	0	0	0	0	111.9	L871 C872 N922 Q927	L871-A924 HydrophobicContact CB-CB 3.46Å; L871-A924 VanDerWaalsContact CB-CB 3.46Å; L871-A924 HydrophobicContact CD1-CB 4.22Å; L871-A924 HydrophobicContact CG-CB 4.48Å; C872-A924 VanDerWaalsContact SG-CB 3.59Å; N922-A924 PolarHBondContact O-N 3.36Å; N922-A924 PolarHBondContact OD1-N 3.43Å; A924-Q927 PolarHBondContact O-N 2.97Å
925	W	51.1	Low	52.6	Low	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-70.4	-33.7	172.6	-95.2	110.9	0	0	0	112.9	M867 L871 F887 I917 N922 Q927 S928 H931 L934	M867-W925 HydrophobicContact CE-CZ2 3.49Å; M867-W925 VanDerWaalsContact CE-CZ2 3.49Å; L871-W925 HydrophobicContact CD1-CB 4.26Å; L871-W925 HydrophobicContact CD1-CD2 3.76Å; L871-W925 HydrophobicContact CD1-CG 3.47Å; L871-W925 VanDerWaalsContact CD1-CG 3.47Å; L871-W925 VanDerWaalsContact CD1-NE1 3.3Å; F887-W925 AromaticContact CD1-CH2 4Å; F887-W925 HydrophobicContact CD1-CH2 4Å; F887-W925 AromaticContact CD1-CZ2 3.82Å; F887-W925 HydrophobicContact CD1-CZ2 3.82Å; F887-W925 HydrophobicContact CE1-CH2 4.42Å; F887-W925 AromaticContact CE1-CZ2 3.88Å; F887-W925 HydrophobicContact CE1-CZ2 3.88Å; I917-W925 HydrophobicContact CD1-CZ2 4.38Å; I917-W925 HydrophobicContact CG1-CZ2 4.34Å; I917-W925 HydrophobicContact CG2-CD2 3.96Å; I917-W925 HydrophobicContact CG2-CE3 4.33Å; I917-W925 HydrophobicContact CG2-CH2 4.01Å; I917-W925 HydrophobicContact CG2-CZ2 3.59Å; I917-W925 HydrophobicContact CG2-CZ3 4.36Å; N922-W925 HydrophobicContact CB-CB 4.27Å; N922-W925 PolarHBondContact O-N 2.74Å; N922-W925 VanDerWaalsContact O-N 3.1Å; W925-Q927 PolarHBondContact O-N 2.52Å; W925-S928 WeakPolarHBondContact O-CB 3.05Å; W925-S928 PolarHBondContact O-N 2.74Å; W925-S928 VanDerWaalsContact O-N 3.09Å; W925-H931 HydrophobicContact CE3-CB 3.77Å; W925-H931 HydrophobicContact CZ3-CB 3.95Å; W925-L934 HydrophobicContact CH2-CD2 4Å
926	R	51.1	Low	52.3	Low	112 Å²	112	44.4 Å²	44.4	42%	0.423	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-24.8	177.6	-60.2	-177.9	-162.4	-172.9	3.3	113	P919 V920 N922 A923 D972	P919-R926 WeakPolarHBondContact O-CG 3.01Å; P919-R926 PolarHBondContact O-NE 3.09Å; V920-R926 PolarHBondContact O-NH2 3.05Å; N922-R926 PolarHBondContact O-N 3.3Å; A923-R926 WeakPolarHBondContact O-CB 3.32Å; A923-R926 PolarHBondContact O-N 3.33Å; R926-D972 IonicContact CZ-OD2 2.65Å; R926-D972 IonicContact NE-OD2 3.01Å; R926-D972 VanDerWaalsContact NH1-CG 3.34Å; R926-D972 IonicContact NH1-OD1 3.31Å; R926-D972 PolarHBondContact NH1-OD1 3.42Å; R926-D972 IonicContact NH1-OD2 3.36Å; R926-D972 PolarHBondContact NH1-OD2 3.07Å; R926-D972 IonicContact NH2-OD2 3.52Å; R926-D972 PolarHBondContact NH2-OD2 3.12Å
927	Q	49.7	Very low	52	Low	174 Å²	174	45 Å²	45	81%	0.813	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-12.6	-179.8	-63.6	-178.4	2.9	0	0	113.2	A924 W925	A924-Q927 PolarHBondContact O-N 2.97Å; W925-Q927 PolarHBondContact O-N 2.52Å
928	S	51.6	Low	52	Low	9 Å²	9	44.9 Å²	44.9	6%	0.063	24%	0.238	C	C	.	.			trans	-84.5	138.3	-174.6	124.9	0	0	0	0	111.3	P884 W925 G930 H931	P884-S928 WeakPolarHBondContact CB-OG 3.08Å; W925-S928 WeakPolarHBondContact O-CB 3.05Å; W925-S928 PolarHBondContact O-N 2.74Å; W925-S928 VanDerWaalsContact O-N 3.09Å; S928-G930 VanDerWaalsContact C-N 3.34Å; S928-G930 PolarHBondContact OG-N 3.44Å; S928-H931 PolarHBondContact O-CE1 3.24Å; S928-H931 PolarHBondContact O-ND1 3.36Å; S928-H931 PolarHBondContact OG-N 2.82Å
929	S	50.5	Low	52.2	Low	70 Å²	70	44.6 Å²	44.6	49%	0.49	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.4	175.8	79.7	0	0	0	0	112.8	E885 H931	E885-S929 WeakPolarHBondContact CG-OG 3.16Å; E885-S929 WeakPolarHBondContact OE1-CB 3.36Å; E885-S929 PolarHBondContact OE1-N 3.27Å; E885-S929 PolarHBondContact OE1-OG 2.92Å; S929-H931 VanDerWaalsContact C-N 3.33Å; S929-H931 PolarHBondContact O-N 3.14Å
930	G	50.8	Low	52.7	Low	1 Å²	1	49.1 Å²	49.1	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.6	-180	0	0	0	0	0	116	S888 S928 V932 P933 L934	S888-G930 WeakPolarHBondContact CB-O 3.43Å; S888-G930 WeakPolarHBondContact OG-CA 3.42Å; S888-G930 PolarHBondContact OG-O 3.39Å; S928-G930 VanDerWaalsContact C-N 3.34Å; S928-G930 PolarHBondContact OG-N 3.44Å; G930-V932 VanDerWaalsContact C-N 3.32Å; G930-V932 PolarHBondContact O-N 3Å; G930-P933 WeakPolarHBondContact O-CD 3.4Å; G930-L934 PolarHBondContact O-N 2.9Å
931	H	55.1	Low	53.3	Low	46 Å²	46	46.9 Å²	46.9	21%	0.213	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-35.5	-178.5	73.1	-85.9	0	0	0	113.1	W925 S928 S929 L934 M935	W925-H931 HydrophobicContact CE3-CB 3.77Å; W925-H931 HydrophobicContact CZ3-CB 3.95Å; S928-H931 PolarHBondContact O-CE1 3.24Å; S928-H931 PolarHBondContact O-ND1 3.36Å; S928-H931 PolarHBondContact OG-N 2.82Å; S929-H931 VanDerWaalsContact C-N 3.33Å; S929-H931 PolarHBondContact O-N 3.14Å; H931-L934 PolarHBondContact O-N 3.42Å; H931-M935 WeakPolarHBondContact O-CB 3.22Å; H931-M935 WeakPolarHBondContact O-CG 3.36Å; H931-M935 PolarHBondContact O-N 3.02Å
932	V	53.6	Low	53.8	Low	41 Å²	41	38.9 Å²	38.9	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-51.3	-176.3	-177.7	0	0	0	0	111.9	G930 L934 M935 D936 F980	G930-V932 VanDerWaalsContact C-N 3.32Å; G930-V932 PolarHBondContact O-N 3Å; V932-L934 VanDerWaalsContact C-N 3.29Å; V932-L934 PolarHBondContact O-N 2.85Å; V932-M935 PolarHBondContact O-N 3.42Å; V932-D936 PolarHBondContact O-N 3.3Å; V932-F980 HydrophobicContact CG1-CE2 4.44Å
933	P	52.1	Low	54	Low	35 Å²	35	40.1 Å²	40.1	23%	0.227	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-37.8	174.9	-24.9	31.6	0	0	0	114.3	G930 D936 S937	G930-P933 WeakPolarHBondContact O-CD 3.4Å; P933-D936 WeakPolarHBondContact O-CB 3.34Å; P933-D936 PolarHBondContact O-N 3.4Å; P933-S937 PolarHBondContact O-N 3.48Å; P933-S937 PolarHBondContact O-OG 3.4Å; P933-S937 VanDerWaalsContact O-OG 3.1Å
934	L	56.1	Low	54.2	Low	3 Å²	3	41 Å²	41	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-69.4	-46.4	179.3	177.2	59.1	0	0	0	111.8	L891 I895 I917 W925 G930 H931 V932 D936 S937 C938	L891-L934 HydrophobicContact CB-CD1 3.43Å; L891-L934 VanDerWaalsContact CB-CD1 3.43Å; L891-L934 HydrophobicContact CB-CD2 4.27Å; L891-L934 HydrophobicContact CB-CG 4.49Å; L891-L934 HydrophobicContact CD1-CD1 4.16Å; L891-L934 HydrophobicContact CD1-CD2 3.49Å; L891-L934 VanDerWaalsContact CD1-CD2 3.49Å; L891-L934 HydrophobicContact CD1-CG 4.48Å; L891-L934 HydrophobicContact CG-CD1 4.48Å; I895-L934 HydrophobicContact CD1-CD1 3.97Å; I917-L934 HydrophobicContact CD1-CD2 3.67Å; I917-L934 HydrophobicContact CG2-CD2 4.03Å; W925-L934 HydrophobicContact CH2-CD2 4Å; G930-L934 PolarHBondContact O-N 2.9Å; H931-L934 PolarHBondContact O-N 3.42Å; V932-L934 VanDerWaalsContact C-N 3.29Å; V932-L934 PolarHBondContact O-N 2.85Å; L934-D936 PolarHBondContact O-N 2.87Å; L934-S937 PolarHBondContact O-N 3.47Å; L934-S937 VanDerWaalsContact O-N 3.12Å; L934-C938 PolarHBondContact O-N 3.4Å; L934-C938 PolarHBondContact O-SG 3.31Å
935	M	57.4	Low	54.4	Low	46 Å²	46	43.2 Å²	43.2	23%	0.227	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-37.5	176.5	-71.7	-69.3	-70.5	0	0	111.5	F914 H931 V932 S939	F914-M935 HydrophobicContact CD1-CE 3.89Å; F914-M935 HydrophobicContact CD1-SD 3.66Å; F914-M935 HydrophobicContact CE1-CE 3.49Å; F914-M935 VanDerWaalsContact CE1-CE 3.49Å; F914-M935 HydrophobicContact CE1-SD 3.47Å; F914-M935 WeakPolarHBondContact CE1-SD 3.33Å; H931-M935 WeakPolarHBondContact O-CB 3.22Å; H931-M935 WeakPolarHBondContact O-CG 3.36Å; H931-M935 PolarHBondContact O-N 3.02Å; V932-M935 PolarHBondContact O-N 3.42Å; M935-S939 WeakPolarHBondContact O-CB 3.2Å; M935-S939 PolarHBondContact O-N 3.26Å
936	D	54.9	Low	54.3	Low	2 Å²	2	44.9 Å²	44.9	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-54.4	171	174.1	24.8	0	0	0	112.2	V932 P933 L934 C938 S939 R940 Y993 I996	V932-D936 PolarHBondContact O-N 3.3Å; P933-D936 WeakPolarHBondContact O-CB 3.34Å; P933-D936 PolarHBondContact O-N 3.4Å; L934-D936 PolarHBondContact O-N 2.87Å; D936-C938 VanDerWaalsContact C-N 3.29Å; D936-C938 PolarHBondContact O-N 3.07Å; D936-S939 CarbonylContact O-C 3.02Å; D936-S939 WeakPolarHBondContact O-CA 3.39Å; D936-S939 WeakPolarHBondContact O-CB 3.35Å; D936-S939 PolarHBondContact O-N 2.63Å; D936-R940 VanDerWaalsContact CG-CZ 3.49Å; D936-R940 PolarHBondContact O-N 2.99Å; D936-R940 WeakPolarHBondContact OD1-CD 3.21Å; D936-R940 WeakPolarHBondContact OD1-CG 3.49Å; D936-R940 IonicContact OD1-CZ 2.71Å; D936-R940 IonicContact OD1-NE 2.88Å; D936-R940 PolarHBondContact OD1-NE 3.08Å; D936-R940 IonicContact OD1-NH2 3.46Å; D936-R940 IonicContact OD2-CZ 2.83Å; D936-R940 IonicContact OD2-NE 3.2Å; D936-R940 PolarHBondContact OD2-NE 3.49Å; D936-R940 IonicContact OD2-NH1 3.14Å; D936-R940 IonicContact OD2-NH2 2.72Å; D936-R940 PolarHBondContact OD2-NH2 3.01Å; D936-Y993 HydrophobicContact CB-CD1 3.89Å; D936-Y993 HydrophobicContact CB-CE1 3.88Å; D936-Y993 VanDerWaalsContact OD2-CD1 3.26Å; D936-Y993 WeakPolarHBondContact OD2-CD1 3.48Å; D936-Y993 WeakPolarHBondContact OD2-CE1 3.3Å; D936-I996 HydrophobicContact CB-CD1 3.3Å; D936-I996 WeakPolarHBondContact OD1-CD1 3.28Å
937	S	56.4	Low	53.9	Low	19 Å²	19	47 Å²	47	13%	0.133	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-43.1	180	-61.6	0	0	0	0	112	S892 P933 L934 A941	S892-S937 WeakPolarHBondContact CB-OG 3.07Å; S892-S937 VanDerWaalsContact OG-CB 3.24Å; S892-S937 WeakPolarHBondContact OG-CB 3.43Å; S892-S937 PolarHBondContact OG-OG 3.46Å; P933-S937 PolarHBondContact O-N 3.48Å; P933-S937 PolarHBondContact O-OG 3.4Å; P933-S937 VanDerWaalsContact O-OG 3.1Å; L934-S937 PolarHBondContact O-N 3.47Å; L934-S937 VanDerWaalsContact O-N 3.12Å; S937-A941 WeakPolarHBondContact O-CB 3.26Å; S937-A941 PolarHBondContact O-N 2.97Å
938	C	59.2	Low	53.7	Low	3 Å²	3	40.5 Å²	40.5	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-42.4	173.5	-59.9	0	0	0	0	111.8	I895 F914 L934 D936 A941 A942	I895-C938 HydrophobicContact CD1-CB 4.27Å; I895-C938 WeakPolarHBondContact CD1-SG 3.49Å; F914-C938 HydrophobicContact CD1-CB 4.47Å; F914-C938 HydrophobicContact CD2-CB 3.83Å; F914-C938 HydrophobicContact CE1-CB 3.86Å; F914-C938 HydrophobicContact CE2-CB 3.18Å; F914-C938 HydrophobicContact CG-CB 4.47Å; F914-C938 HydrophobicContact CZ-CB 3.19Å; L934-C938 PolarHBondContact O-N 3.4Å; L934-C938 PolarHBondContact O-SG 3.31Å; D936-C938 VanDerWaalsContact C-N 3.29Å; D936-C938 PolarHBondContact O-N 3.07Å; C938-A941 PolarHBondContact O-N 2.85Å; C938-A942 VanDerWaalsContact O-CB 3.31Å; C938-A942 WeakPolarHBondContact O-CB 3.27Å; C938-A942 PolarHBondContact O-N 3.13Å
939	S	55.7	Low	53.4	Low	12 Å²	12	40.2 Å²	40.2	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-46.1	178.4	177.1	0	0	0	0	112.3	M935 D936 A942 N943 L953	M935-S939 WeakPolarHBondContact O-CB 3.2Å; M935-S939 PolarHBondContact O-N 3.26Å; D936-S939 CarbonylContact O-C 3.02Å; D936-S939 WeakPolarHBondContact O-CA 3.39Å; D936-S939 WeakPolarHBondContact O-CB 3.35Å; D936-S939 PolarHBondContact O-N 2.63Å; S939-A942 PolarHBondContact O-N 2.93Å; S939-N943 VanDerWaalsContact O-CG 3.31Å; S939-N943 PolarHBondContact O-N 3.46Å; S939-L953 VanDerWaalsContact OG-CD1 3.22Å; S939-L953 WeakPolarHBondContact OG-CD1 3.4Å
940	R	57.3	Low	53.1	Low	129 Å²	129	42.7 Å²	42.7	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-42.2	177.5	-76.4	-173.5	-69.8	-167	-3.7	111.7	D936 N943 T944	D936-R940 VanDerWaalsContact CG-CZ 3.49Å; D936-R940 PolarHBondContact O-N 2.99Å; D936-R940 WeakPolarHBondContact OD1-CD 3.21Å; D936-R940 WeakPolarHBondContact OD1-CG 3.49Å; D936-R940 IonicContact OD1-CZ 2.71Å; D936-R940 IonicContact OD1-NE 2.88Å; D936-R940 PolarHBondContact OD1-NE 3.08Å; D936-R940 IonicContact OD1-NH2 3.46Å; D936-R940 IonicContact OD2-CZ 2.83Å; D936-R940 IonicContact OD2-NE 3.2Å; D936-R940 PolarHBondContact OD2-NE 3.49Å; D936-R940 IonicContact OD2-NH1 3.14Å; D936-R940 IonicContact OD2-NH2 2.72Å; D936-R940 PolarHBondContact OD2-NH2 3.01Å; R940-N943 PolarHBondContact O-N 2.86Å; R940-T944 PolarHBondContact O-N 2.74Å; R940-T944 VanDerWaalsContact O-N 3.16Å; R940-T944 PolarHBondContact O-OG1 3.48Å; R940-T944 VanDerWaalsContact O-OG1 3.1Å
941	A	58.8	Low	52.8	Low	4 Å²	4	47.6 Å²	47.6	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-46.3	174.7	0	0	0	0	0	111.4	I895 T910 S937 C938 N943 T944 V945	I895-A941 HydrophobicContact CG2-CB 3.21Å; T910-A941 HydrophobicContact CG2-CB 3.87Å; S937-A941 WeakPolarHBondContact O-CB 3.26Å; S937-A941 PolarHBondContact O-N 2.97Å; C938-A941 PolarHBondContact O-N 2.85Å; A941-N943 PolarHBondContact O-N 3.45Å; A941-T944 PolarHBondContact O-N 3.09Å; A941-T944 PolarHBondContact O-OG1 3.48Å; A941-V945 WeakPolarHBondContact O-CG2 3.33Å; A941-V945 PolarHBondContact O-N 2.93Å
942	A	58.2	Low	52.4	Low	10 Å²	10	46.8 Å²	46.8	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-41.7	177.2	0	0	0	0	0	112.6	C938 S939 T944 V945 G949	C938-A942 VanDerWaalsContact O-CB 3.31Å; C938-A942 WeakPolarHBondContact O-CB 3.27Å; C938-A942 PolarHBondContact O-N 3.13Å; S939-A942 PolarHBondContact O-N 2.93Å; A942-T944 VanDerWaalsContact C-N 3.33Å; A942-T944 PolarHBondContact O-N 2.89Å; A942-V945 PolarHBondContact O-N 3.12Å; A942-G949 VanDerWaalsContact O-CA 3.32Å; A942-G949 WeakPolarHBondContact O-CA 3.24Å
943	N	54.8	Low	52.1	Low	45 Å²	45	46.3 Å²	46.3	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-33.4	178.2	-73.4	-13.4	0	0	0	112.8	S939 R940 A941 V945 Y950	S939-N943 VanDerWaalsContact O-CG 3.31Å; S939-N943 PolarHBondContact O-N 3.46Å; R940-N943 PolarHBondContact O-N 2.86Å; A941-N943 PolarHBondContact O-N 3.45Å; N943-V945 VanDerWaalsContact C-N 3.34Å; N943-Y950 HydrophobicContact CB-CE2 4.46Å
944	T	54.1	Low	52	Low	81 Å²	81	46.5 Å²	46.5	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-77.2	-16.5	179.7	45.7	0	0	0	0	114.7	K899 R940 A941 A942 G946	K899-T944 VanDerWaalsContact CE-OG1 3.25Å; K899-T944 WeakPolarHBondContact CE-OG1 3.29Å; K899-T944 PolarHBondContact NZ-OG1 2.67Å; R940-T944 PolarHBondContact O-N 2.74Å; R940-T944 VanDerWaalsContact O-N 3.16Å; R940-T944 PolarHBondContact O-OG1 3.48Å; R940-T944 VanDerWaalsContact O-OG1 3.1Å; A941-T944 PolarHBondContact O-N 3.09Å; A941-T944 PolarHBondContact O-OG1 3.48Å; A942-T944 VanDerWaalsContact C-N 3.33Å; A942-T944 PolarHBondContact O-N 2.89Å; T944-G946 PolarHBondContact O-N 3.32Å
945	V	52.7	Low	51.6	Low	64 Å²	64	52.1 Å²	52.1	39%	0.388	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.7	-179.9	-177.8	0	0	0	0	111.9	K907 A941 A942 N943	K907-V945 HydrophobicContact CB-CG1 4.37Å; A941-V945 WeakPolarHBondContact O-CG2 3.33Å; A941-V945 PolarHBondContact O-N 2.93Å; A942-V945 PolarHBondContact O-N 3.12Å; N943-V945 VanDerWaalsContact C-N 3.34Å
946	G	49.2	Very low	51.2	Low	37 Å²	37	52.7 Å²	52.7	38%	0.381	29%	0.289	S	S	.	.			trans	114.7	-176.2	173.7	0	0	0	0	0	113.7	T944 G948 G949	T944-G946 PolarHBondContact O-N 3.32Å; G946-G948 PolarHBondContact O-N 3.31Å; G946-G949 PolarHBondContact O-N 3.02Å; G946-G949 VanDerWaalsContact O-N 3.14Å
947	D	43.7	Very low	51	Low	155 Å²	155	53.9 Å²	53.9	83%	0.829	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-8.7	-171.2	-75.1	-26.7	0	0	0	115.5
948	G	45.7	Very low	50.7	Low	38 Å²	38	54.7 Å²	54.7	39%	0.392	30%	0.297	S	S	.	.	H	α-helix	trans	-75.5	-22.8	176	0	0	0	0	0	115.5	G946 Y950 N951 F952	G946-G948 PolarHBondContact O-N 3.31Å; G948-Y950 VanDerWaalsContact C-N 3.3Å; G948-Y950 PolarHBondContact O-N 3.01Å; G948-N951 PolarHBondContact O-N 2.98Å; G948-F952 WeakPolarHBondContact O-CB 3.4Å; G948-F952 PolarHBondContact O-N 3.34Å
949	G	43.9	Very low	49.9	Very low	3 Å²	3	60.4 Å²	60.4	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-38.1	-174.7	0	0	0	0	0	114.1	A942 G946 L953	A942-G949 VanDerWaalsContact O-CA 3.32Å; A942-G949 WeakPolarHBondContact O-CA 3.24Å; G946-G949 PolarHBondContact O-N 3.02Å; G946-G949 VanDerWaalsContact O-N 3.14Å; G949-L953 PolarHBondContact O-N 2.98Å
950	Y	45.3	Very low	49.2	Very low	123 Å²	123	65.9 Å²	65.9	48%	0.482	36%	0.361	S	S	.	.	H	α-helix	trans	-74.5	-42.9	177.8	-67.2	-77.4	0	0	0	112.8	N943 G948 F952 S954 T999	N943-Y950 HydrophobicContact CB-CE2 4.46Å; G948-Y950 VanDerWaalsContact C-N 3.3Å; G948-Y950 PolarHBondContact O-N 3.01Å; Y950-F952 PolarHBondContact O-N 3.37Å; Y950-S954 PolarHBondContact O-N 3.5Å; Y950-S954 VanDerWaalsContact O-N 3.16Å; Y950-T999 HydrophobicContact CE1-CG2 4.4Å
951	N	44.7	Very low	48.4	Very low	104 Å²	104	62.9 Å²	62.9	56%	0.556	37%	0.371	S	S	*	.	H	α-helix	trans	-62.9	-35.3	172.9	-88	-9.6	0	0	0	111	G948 S954 Q955	G948-N951 PolarHBondContact O-N 2.98Å; N951-S954 WeakPolarHBondContact CA-OG 3.49Å; N951-S954 PolarHBondContact O-N 3.33Å; N951-S954 PolarHBondContact O-OG 2.92Å; N951-Q955 WeakPolarHBondContact O-CB 3.02Å; N951-Q955 WeakPolarHBondContact O-CG 3.28Å; N951-Q955 PolarHBondContact O-N 3.27Å
952	F	46.2	Very low	47.4	Very low	28 Å²	28	68.8 Å²	68.8	12%	0.123	40%	0.396	C	S	.	.	H	α-helix	trans	-65.7	-48.8	-179.8	-179.6	-90.5	0	0	0	112.6	T911 F914 G948 Y950 S954 Q955 L956	T911-F952 HydrophobicContact CG2-CE2 3.71Å; T911-F952 HydrophobicContact CG2-CZ 3.95Å; T911-F952 VanDerWaalsContact OG1-CE2 3.29Å; T911-F952 WeakPolarHBondContact OG1-CE2 3.34Å; F914-F952 HydrophobicContact CB-CE1 4.12Å; F914-F952 HydrophobicContact CB-CZ 4.21Å; F914-F952 HydrophobicContact CD2-CD1 4.29Å; F914-F952 AromaticContact CD2-CE1 3.33Å; F914-F952 HydrophobicContact CD2-CE1 3.33Å; F914-F952 HydrophobicContact CD2-CZ 4.06Å; F914-F952 HydrophobicContact CE2-CD1 4.3Å; F914-F952 AromaticContact CE2-CE1 3.77Å; F914-F952 HydrophobicContact CE2-CE1 3.77Å; F914-F952 AromaticContact CG-CE1 3.91Å; F914-F952 HydrophobicContact CG-CE1 3.91Å; F914-F952 HydrophobicContact CG-CZ 4.47Å; G948-F952 WeakPolarHBondContact O-CB 3.4Å; G948-F952 PolarHBondContact O-N 3.34Å; Y950-F952 PolarHBondContact O-N 3.37Å; F952-S954 VanDerWaalsContact C-N 3.26Å; F952-S954 PolarHBondContact O-N 2.78Å; F952-Q955 PolarHBondContact O-N 3.1Å; F952-L956 HydrophobicContact CD1-CD1 4.27Å; F952-L956 HydrophobicContact CE1-CD1 3.38Å; F952-L956 HydrophobicContact CE2-CD1 4.13Å; F952-L956 HydrophobicContact CZ-CD1 3.29Å; F952-L956 PolarHBondContact O-N 3.45Å
953	L	48.4	Very low	46.8	Very low	31 Å²	31	74.5 Å²	74.5	16%	0.162	43%	0.43	C	S	.	.	H	α-helix	trans	-59.7	-37.9	171.9	-100	154	0	0	0	111.8	S939 G949 L956 L957	S939-L953 VanDerWaalsContact OG-CD1 3.22Å; S939-L953 WeakPolarHBondContact OG-CD1 3.4Å; G949-L953 PolarHBondContact O-N 2.98Å; L953-L956 PolarHBondContact O-N 2.9Å; L953-L957 HydrophobicContact CD2-CD1 4.35Å; L953-L957 WeakPolarHBondContact O-CB 3.19Å; L953-L957 WeakPolarHBondContact O-CD1 3.43Å; L953-L957 VanDerWaalsContact O-CG 3.23Å; L953-L957 WeakPolarHBondContact O-CG 3.35Å; L953-L957 PolarHBondContact O-N 2.75Å
954	S	48.6	Very low	46.3	Very low	40 Å²	40	76.8 Å²	76.8	28%	0.28	45%	0.449	S	S	.	.	H	α-helix	trans	-67.6	-39.2	177.6	77.2	0	0	0	0	113.1	Y950 N951 F952 L957 F958	Y950-S954 PolarHBondContact O-N 3.5Å; Y950-S954 VanDerWaalsContact O-N 3.16Å; N951-S954 WeakPolarHBondContact CA-OG 3.49Å; N951-S954 PolarHBondContact O-N 3.33Å; N951-S954 PolarHBondContact O-OG 2.92Å; F952-S954 VanDerWaalsContact C-N 3.26Å; F952-S954 PolarHBondContact O-N 2.78Å; S954-L957 PolarHBondContact O-N 3.16Å; S954-F958 WeakPolarHBondContact O-CA 3.48Å; S954-F958 WeakPolarHBondContact O-CB 3.31Å; S954-F958 PolarHBondContact O-N 3.16Å
955	Q	49.2	Very low	46	Very low	121 Å²	121	75.2 Å²	75.2	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-67.9	-36.7	176.8	-76.9	175.3	-10.7	0	0	111.7	N951 F952 E959	N951-Q955 WeakPolarHBondContact O-CB 3.02Å; N951-Q955 WeakPolarHBondContact O-CG 3.28Å; N951-Q955 PolarHBondContact O-N 3.27Å; F952-Q955 PolarHBondContact O-N 3.1Å; Q955-E959 VanDerWaalsContact O-CA 3.27Å; Q955-E959 WeakPolarHBondContact O-CA 3.45Å; Q955-E959 WeakPolarHBondContact O-CB 3.43Å; Q955-E959 WeakPolarHBondContact O-CG 3.42Å; Q955-E959 PolarHBondContact O-N 3.5Å; Q955-E959 VanDerWaalsContact O-N 3.09Å
956	L	48.9	Very low	45.7	Very low	57 Å²	57	72.8 Å²	72.8	30%	0.298	43%	0.427	S	S	.	.	H	α-helix	trans	-72.6	-28.1	179.3	-124.8	134.6	0	0	0	113.5	F914 F952 L953	F914-L956 HydrophobicContact CB-CD1 3.59Å; F914-L956 HydrophobicContact CB-CD2 4.25Å; F914-L956 HydrophobicContact CG-CD1 4.17Å; F952-L956 HydrophobicContact CD1-CD1 4.27Å; F952-L956 HydrophobicContact CE1-CD1 3.38Å; F952-L956 HydrophobicContact CE2-CD1 4.13Å; F952-L956 HydrophobicContact CZ-CD1 3.29Å; F952-L956 PolarHBondContact O-N 3.45Å; L953-L956 PolarHBondContact O-N 2.9Å
957	L	50.1	Low	45.6	Very low	27 Å²	27	73 Å²	73	14%	0.141	42%	0.418	C	S	.	.	H	α-helix	trans	-92.5	-31.8	180	-66.5	168.7	0	0	0	113	L953 S954 L973 Y1000	L953-L957 HydrophobicContact CD2-CD1 4.35Å; L953-L957 WeakPolarHBondContact O-CB 3.19Å; L953-L957 WeakPolarHBondContact O-CD1 3.43Å; L953-L957 VanDerWaalsContact O-CG 3.23Å; L953-L957 WeakPolarHBondContact O-CG 3.35Å; L953-L957 PolarHBondContact O-N 2.75Å; S954-L957 PolarHBondContact O-N 3.16Å; L957-L973 HydrophobicContact CD2-CD1 4.37Å; L957-Y1000 HydrophobicContact CD1-CD2 4.26Å; L957-Y1000 HydrophobicContact CD1-CE2 3.35Å; L957-Y1000 WeakPolarHBondContact CD1-OH 3.34Å; L957-Y1000 HydrophobicContact CD2-CE2 4.15Å; L957-Y1000 WeakPolarHBondContact CD2-OH 3.43Å; L957-Y1000 HydrophobicContact CG-CE2 4.37Å
958	F	50.3	Low	45.9	Very low	37 Å²	37	72.3 Å²	72.3	16%	0.162	41%	0.41	C	S	.	.	S	Bend	trans	-138	48.1	-170.4	-55.4	-75.4	0	0	0	111	S954 S960 L970 Y1007	S954-F958 WeakPolarHBondContact O-CA 3.48Å; S954-F958 WeakPolarHBondContact O-CB 3.31Å; S954-F958 PolarHBondContact O-N 3.16Å; F958-S960 PolarHBondContact O-N 2.82Å; F958-S960 VanDerWaalsContact O-N 3.14Å; F958-L970 HydrophobicContact CE1-CD1 3.95Å; F958-Y1007 HydrophobicContact CD1-CD1 4.13Å; F958-Y1007 AromaticContact CD1-CD2 3.96Å; F958-Y1007 HydrophobicContact CD1-CD2 3.96Å; F958-Y1007 AromaticContact CD1-CE1 3.97Å; F958-Y1007 HydrophobicContact CD1-CE1 3.97Å; F958-Y1007 AromaticContact CD1-CE2 3.83Å; F958-Y1007 HydrophobicContact CD1-CE2 3.83Å; F958-Y1007 HydrophobicContact CD1-CG 4.12Å; F958-Y1007 AromaticContact CD1-CZ 3.84Å; F958-Y1007 AromaticContact CE1-CD1 3.56Å; F958-Y1007 HydrophobicContact CE1-CD1 3.56Å; F958-Y1007 HydrophobicContact CE1-CD2 4.1Å; F958-Y1007 AromaticContact CE1-CE1 3.69Å; F958-Y1007 HydrophobicContact CE1-CE1 3.69Å; F958-Y1007 HydrophobicContact CE1-CE2 4.25Å; F958-Y1007 AromaticContact CE1-CG 3.77Å; F958-Y1007 HydrophobicContact CE1-CG 3.77Å; F958-Y1007 HydrophobicContact CG-CD2 4.43Å; F958-Y1007 HydrophobicContact CG-CE2 4.46Å; F958-Y1007 HydrophobicContact CZ-CD1 4.2Å; F958-Y1007 HydrophobicContact CZ-CG 4.16Å
959	E	42.9	Very low	46.1	Very low	123 Å²	123	71.1 Å²	71.1	58%	0.575	40%	0.395	S	S	*	.			trans	-48.4	122.3	177.7	-135.5	174.1	-150.1	0	0	109.6	Q955 G961	Q955-E959 VanDerWaalsContact O-CA 3.27Å; Q955-E959 WeakPolarHBondContact O-CA 3.45Å; Q955-E959 WeakPolarHBondContact O-CB 3.43Å; Q955-E959 WeakPolarHBondContact O-CG 3.42Å; Q955-E959 PolarHBondContact O-N 3.5Å; Q955-E959 VanDerWaalsContact O-N 3.09Å; E959-G961 PolarHBondContact O-N 3.24Å
960	S	39.5	Very low	46.3	Very low	126 Å²	126	71.1 Å²	71.1	88%	0.881	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	97.2	-176	54.6	0	0	0	0	109.4	F958	F958-S960 PolarHBondContact O-N 2.82Å; F958-S960 VanDerWaalsContact O-N 3.14Å
961	G	41.9	Very low	46.6	Very low	67 Å²	67	69.2 Å²	69.2	69%	0.691	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	156.2	-11.7	177.2	0	0	0	0	0	116.3	E959	E959-G961 PolarHBondContact O-N 3.24Å
962	F	36.5	Very low	46.8	Very low	128 Å²	128	66.1 Å²	66.1	56%	0.561	37%	0.371	S	S	*	.			trans	-130.6	81.7	-177.7	-70.9	-87.3	0	0	0	112.2	S964 S965 N966	F962-S964 VanDerWaalsContact C-N 3.27Å; F962-S964 PolarHBondContact O-N 2.66Å; F962-S965 WeakPolarHBondContact CB-OG 3.28Å; F962-S965 PolarHBondContact O-N 3.16Å; F962-S965 PolarHBondContact O-OG 2.93Å; F962-N966 PolarHBondContact O-N 3.47Å; F962-N966 PolarHBondContact O-OD1 3.42Å
963	T	46.2	Very low	46.9	Very low	129 Å²	129	66.5 Å²	66.5	79%	0.791	38%	0.375	S	S	*	.	H	α-helix	trans	-62.7	-29.7	-179.8	45.5	0	0	0	0	113.3
964	S	43.6	Very low	46.9	Very low	93 Å²	93	66.7 Å²	66.7	65%	0.65	38%	0.377	S	S	*	.	H	α-helix	trans	-80.7	-26.2	178.8	59.2	0	0	0	0	114.4	F962	F962-S964 VanDerWaalsContact C-N 3.27Å; F962-S964 PolarHBondContact O-N 2.66Å
965	S	48.5	Very low	46.9	Very low	48 Å²	48	71 Å²	71	34%	0.336	39%	0.391	S	S	.	.	H	α-helix	trans	-80.2	-29.7	177.6	64.8	0	0	0	0	112.6	F962 E967 E968 V969	F962-S965 WeakPolarHBondContact CB-OG 3.28Å; F962-S965 PolarHBondContact O-N 3.16Å; F962-S965 PolarHBondContact O-OG 2.93Å; S965-E967 PolarHBondContact O-N 3.34Å; S965-E968 PolarHBondContact O-N 3.25Å; S965-V969 WeakPolarHBondContact O-CG2 3.48Å; S965-V969 PolarHBondContact O-N 3.26Å
966	N	47	Very low	46.8	Very low	14 Å²	14	66.6 Å²	66.6	8%	0.075	38%	0.378	C	S	.	.	H	α-helix	trans	-59.7	-32	-179.9	-71.3	-6.5	0	0	0	111.9	F962 L970 Y1007	F962-N966 PolarHBondContact O-N 3.47Å; F962-N966 PolarHBondContact O-OD1 3.42Å; N966-L970 WeakPolarHBondContact O-CB 3.49Å; N966-L970 WeakPolarHBondContact O-CD1 3.27Å; N966-L970 PolarHBondContact O-N 2.78Å; N966-Y1007 PolarHBondContact ND2-OH 3.4Å
967	E	47.2	Very low	46.8	Very low	42 Å²	42	65.2 Å²	65.2	20%	0.196	37%	0.37	C	S	.	.	H	α-helix	trans	-72.1	-42.7	178.2	-173.6	158.2	-138.4	0	0	113.3	S965 V969 L970 K971 E1017 W1021	S965-E967 PolarHBondContact O-N 3.34Å; E967-V969 VanDerWaalsContact C-N 3.32Å; E967-L970 PolarHBondContact O-N 3.02Å; E967-K971 HydrophobicContact CG-CD 4.48Å; E967-K971 WeakPolarHBondContact O-CG 3.44Å; E967-K971 PolarHBondContact O-N 3.2Å; E967-K971 IonicContact OE1-NZ 3.36Å; E967-E1017 VanDerWaalsContact CD-CD 3.44Å; E967-E1017 VanDerWaalsContact CD-OE2 3.22Å; E967-E1017 WeakPolarHBondContact OE1-CB 3.41Å; E967-W1021 HydrophobicContact CG-CZ2 3.76Å; E967-W1021 PolarHBondContact OE1-NE1 2.94Å
968	E	49.8	Very low	46.5	Very low	140 Å²	140	67.8 Å²	67.8	65%	0.654	38%	0.384	S	S	*	.	H	α-helix	trans	-63.8	-40.1	172	-73.7	-158.2	154	0	0	111.5	S965 L970 K971 D972	S965-E968 PolarHBondContact O-N 3.25Å; E968-L970 PolarHBondContact O-N 3.38Å; E968-K971 PolarHBondContact O-N 2.92Å; E968-D972 WeakPolarHBondContact O-CB 3.2Å; E968-D972 PolarHBondContact O-N 3.21Å
969	V	48.7	Very low	46.2	Very low	12 Å²	12	70 Å²	70	7%	0.073	40%	0.403	C	S	.	.	H	α-helix	trans	-58.5	-48.4	173.8	173.6	0	0	0	0	110	V920 S965 E967 K971 D972 L973	V920-V969 HydrophobicContact CB-CG2 4.44Å; V920-V969 HydrophobicContact CG1-CG2 3.68Å; V920-V969 HydrophobicContact CG2-CG1 4.14Å; V920-V969 HydrophobicContact CG2-CG2 3.83Å; S965-V969 WeakPolarHBondContact O-CG2 3.48Å; S965-V969 PolarHBondContact O-N 3.26Å; E967-V969 VanDerWaalsContact C-N 3.32Å; V969-K971 PolarHBondContact O-N 3.44Å; V969-D972 PolarHBondContact O-N 3.5Å; V969-L973 HydrophobicContact CG1-CD1 3.69Å; V969-L973 HydrophobicContact CG1-CG 4.39Å; V969-L973 WeakPolarHBondContact O-CB 3.32Å; V969-L973 VanDerWaalsContact O-CD1 3.29Å; V969-L973 WeakPolarHBondContact O-CD1 3.44Å; V969-L973 WeakPolarHBondContact O-CG 3.26Å; V969-L973 PolarHBondContact O-N 2.84Å
970	L	49	Very low	46.1	Very low	3 Å²	3	66.7 Å²	66.7	2%	0.016	39%	0.386	C	S	.	.	H	α-helix	trans	-60.2	-42.9	174.6	-104.2	131	0	0	0	112.7	F958 N966 E967 E968 D972 L973 V974 V1004 Y1007 V1008 M1011 W1021	F958-L970 HydrophobicContact CE1-CD1 3.95Å; N966-L970 WeakPolarHBondContact O-CB 3.49Å; N966-L970 WeakPolarHBondContact O-CD1 3.27Å; N966-L970 PolarHBondContact O-N 2.78Å; E967-L970 PolarHBondContact O-N 3.02Å; E968-L970 PolarHBondContact O-N 3.38Å; L970-D972 PolarHBondContact O-N 3.43Å; L970-L973 PolarHBondContact O-N 2.98Å; L970-V974 WeakPolarHBondContact O-CG2 3.28Å; L970-V974 PolarHBondContact O-N 3.06Å; L970-V1004 HydrophobicContact CD2-CG1 3.84Å; L970-Y1007 HydrophobicContact CD1-CD1 3.8Å; L970-Y1007 HydrophobicContact CD1-CE1 3.56Å; L970-V1008 HydrophobicContact CD2-CG2 4.18Å; L970-M1011 HydrophobicContact CD1-CE 4.23Å; L970-W1021 HydrophobicContact CB-CE3 4.22Å; L970-W1021 HydrophobicContact CB-CH2 3.62Å; L970-W1021 HydrophobicContact CB-CZ2 4Å; L970-W1021 HydrophobicContact CB-CZ3 3.72Å; L970-W1021 HydrophobicContact CD2-CD2 4.04Å; L970-W1021 HydrophobicContact CD2-CE3 3.5Å; L970-W1021 HydrophobicContact CD2-CH2 4.43Å; L970-W1021 HydrophobicContact CD2-CZ3 3.74Å; L970-W1021 HydrophobicContact CG-CE3 4.48Å; L970-W1021 HydrophobicContact CG-CZ3 4.38Å
971	K	50.9	Low	46.1	Very low	84 Å²	84	64.8 Å²	64.8	37%	0.365	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-44.6	177.2	-74.7	176.6	179.4	158.7	0	110.8	E967 E968 V969 K975 E1017 W1021	E967-K971 HydrophobicContact CG-CD 4.48Å; E967-K971 WeakPolarHBondContact O-CG 3.44Å; E967-K971 PolarHBondContact O-N 3.2Å; E967-K971 IonicContact OE1-NZ 3.36Å; E968-K971 PolarHBondContact O-N 2.92Å; V969-K971 PolarHBondContact O-N 3.44Å; K971-K975 WeakPolarHBondContact O-CG 3.25Å; K971-K975 PolarHBondContact O-N 3.04Å; K971-K975 VanDerWaalsContact O-N 3.13Å; K971-E1017 IonicContact NZ-OE1 3.31Å; K971-E1017 PolarHBondContact NZ-OE1 3.16Å; K971-W1021 HydrophobicContact CB-CH2 4.05Å; K971-W1021 HydrophobicContact CD-CZ2 4.34Å; K971-W1021 HydrophobicContact CG-CH2 3.33Å; K971-W1021 HydrophobicContact CG-CZ2 3.55Å; K971-W1021 VanDerWaalsContact N-CH2 3.3Å
972	D	49.1	Very low	45.7	Very low	38 Å²	38	65.9 Å²	65.9	20%	0.203	36%	0.355	C	S	.	.	H	α-helix	trans	-69.3	-34.3	178.7	-77.6	-20	0	0	0	112.3	R926 E968 V969 L970 K975 G976	R926-D972 IonicContact CZ-OD2 2.65Å; R926-D972 IonicContact NE-OD2 3.01Å; R926-D972 VanDerWaalsContact NH1-CG 3.34Å; R926-D972 IonicContact NH1-OD1 3.31Å; R926-D972 PolarHBondContact NH1-OD1 3.42Å; R926-D972 IonicContact NH1-OD2 3.36Å; R926-D972 PolarHBondContact NH1-OD2 3.07Å; R926-D972 IonicContact NH2-OD2 3.52Å; R926-D972 PolarHBondContact NH2-OD2 3.12Å; E968-D972 WeakPolarHBondContact O-CB 3.2Å; E968-D972 PolarHBondContact O-N 3.21Å; V969-D972 PolarHBondContact O-N 3.5Å; L970-D972 PolarHBondContact O-N 3.43Å; D972-K975 WeakPolarHBondContact O-CB 3.34Å; D972-K975 PolarHBondContact O-N 2.72Å; D972-G976 PolarHBondContact O-N 3.3Å
973	L	49.3	Very low	45.7	Very low	37 Å²	37	63.4 Å²	63.4	19%	0.194	35%	0.351	C	S	.	.	H	α-helix	trans	-67.8	-45.3	175.9	-73.6	162.5	0	0	0	112.8	L957 V969 L970 K975 G976 F977 Y1000	L957-L973 HydrophobicContact CD2-CD1 4.37Å; V969-L973 HydrophobicContact CG1-CD1 3.69Å; V969-L973 HydrophobicContact CG1-CG 4.39Å; V969-L973 WeakPolarHBondContact O-CB 3.32Å; V969-L973 VanDerWaalsContact O-CD1 3.29Å; V969-L973 WeakPolarHBondContact O-CD1 3.44Å; V969-L973 WeakPolarHBondContact O-CG 3.26Å; V969-L973 PolarHBondContact O-N 2.84Å; L970-L973 PolarHBondContact O-N 2.98Å; L973-K975 VanDerWaalsContact C-N 3.26Å; L973-K975 PolarHBondContact O-N 3.06Å; L973-G976 PolarHBondContact O-N 3.16Å; L973-G976 VanDerWaalsContact O-N 3.17Å; L973-F977 PolarHBondContact O-N 3.13Å; L973-Y1000 HydrophobicContact CD1-CE1 4.28Å; L973-Y1000 WeakPolarHBondContact CD1-OH 3.23Å; L973-Y1000 HydrophobicContact CD2-CE1 4.1Å; L973-Y1000 WeakPolarHBondContact CD2-OH 3.16Å; L973-Y1000 WeakPolarHBondContact CG-OH 3.46Å
974	V	48.8	Very low	45.1	Very low	35 Å²	35	61.1 Å²	61.1	21%	0.212	33%	0.331	C	S	.	.	H	α-helix	trans	-61.7	-37.6	174.8	172.1	0	0	0	0	110.6	L970 F977 N978 W1021 A1024	L970-V974 WeakPolarHBondContact O-CG2 3.28Å; L970-V974 PolarHBondContact O-N 3.06Å; V974-F977 PolarHBondContact O-N 3.48Å; V974-N978 PolarHBondContact O-N 3.02Å; V974-N978 PolarHBondContact O-ND2 2.7Å; V974-W1021 HydrophobicContact CG2-CZ3 3.87Å; V974-A1024 HydrophobicContact CG1-CB 4.45Å; V974-A1024 HydrophobicContact CG2-CB 4.26Å
975	K	47.5	Very low	44.6	Very low	130 Å²	130	60.9 Å²	60.9	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-63.2	-46.4	171.7	-75.9	175.8	-177.1	171.1	0	112.4	K971 D972 L973 F977 N978 C979	K971-K975 WeakPolarHBondContact O-CG 3.25Å; K971-K975 PolarHBondContact O-N 3.04Å; K971-K975 VanDerWaalsContact O-N 3.13Å; D972-K975 WeakPolarHBondContact O-CB 3.34Å; D972-K975 PolarHBondContact O-N 2.72Å; L973-K975 VanDerWaalsContact C-N 3.26Å; L973-K975 PolarHBondContact O-N 3.06Å; K975-F977 VanDerWaalsContact C-N 3.28Å; K975-F977 PolarHBondContact O-N 2.92Å; K975-N978 WeakPolarHBondContact O-CB 3.24Å; K975-N978 PolarHBondContact O-N 2.97Å; K975-N978 VanDerWaalsContact O-N 3.11Å; K975-C979 PolarHBondContact O-N 2.68Å; K975-C979 PolarHBondContact O-SG 3.41Å
976	G	48.1	Very low	43.8	Very low	29 Å²	29	68.1 Å²	68.1	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-39.4	177.3	0	0	0	0	0	112.5	D972 L973 C979 F980	D972-G976 PolarHBondContact O-N 3.3Å; L973-G976 PolarHBondContact O-N 3.16Å; L973-G976 VanDerWaalsContact O-N 3.17Å; G976-C979 WeakPolarHBondContact O-CB 3.13Å; G976-C979 PolarHBondContact O-N 2.8Å; G976-F980 PolarHBondContact O-N 3.07Å
977	F	47.2	Very low	43	Very low	27 Å²	27	70.6 Å²	70.6	12%	0.118	38%	0.384	C	S	.	.	H	α-helix	trans	-65.9	-40.9	173.6	-175.1	-103.3	0	0	0	113	L973 V974 K975 C979 F980 K981 W1028 F1031	L973-F977 PolarHBondContact O-N 3.13Å; V974-F977 PolarHBondContact O-N 3.48Å; K975-F977 VanDerWaalsContact C-N 3.28Å; K975-F977 PolarHBondContact O-N 2.92Å; F977-C979 VanDerWaalsContact C-N 3.31Å; F977-C979 PolarHBondContact O-N 3.02Å; F977-F980 WeakPolarHBondContact O-CB 3.48Å; F977-F980 PolarHBondContact O-N 3.13Å; F977-F980 VanDerWaalsContact O-N 3.14Å; F977-K981 PolarHBondContact O-N 2.96Å; F977-W1028 HydrophobicContact CB-CZ2 4.47Å; F977-W1028 HydrophobicContact CD1-CG 4.36Å; F977-W1028 AromaticContact CD2-CE2 3.73Å; F977-W1028 AromaticContact CD2-CZ2 3.91Å; F977-W1028 HydrophobicContact CD2-CZ2 3.91Å; F977-W1028 AromaticContact CD2-NE1 3.33Å; F977-W1028 VanDerWaalsContact CD2-NE1 3.33Å; F977-W1028 AromaticContact CE1-CD1 3.4Å; F977-W1028 VanDerWaalsContact CE1-CD1 3.4Å; F977-W1028 HydrophobicContact CE1-CG 4.03Å; F977-W1028 AromaticContact CE1-NE1 3.7Å; F977-W1028 AromaticContact CE2-CD1 3.52Å; F977-W1028 AromaticContact CE2-CE2 3.86Å; F977-W1028 HydrophobicContact CE2-CZ2 4.4Å; F977-W1028 AromaticContact CE2-NE1 2.97Å; F977-W1028 AromaticContact CG-CE2 3.96Å; F977-W1028 HydrophobicContact CG-CZ2 4.21Å; F977-W1028 AromaticContact CG-NE1 3.81Å; F977-W1028 AromaticContact CZ-CD1 3.09Å; F977-W1028 HydrophobicContact CZ-CG 4.12Å; F977-W1028 AromaticContact CZ-NE1 3.13Å; F977-F1031 HydrophobicContact CE1-CB 4.23Å; F977-F1031 AromaticContact CE1-CD1 3.94Å; F977-F1031 HydrophobicContact CE1-CD1 3.94Å; F977-F1031 HydrophobicContact CE1-CE1 4.48Å; F977-F1031 HydrophobicContact CE1-CG 4.11Å; F977-F1031 HydrophobicContact CE2-CD1 4.14Å; F977-F1031 HydrophobicContact CE2-CE1 4.21Å; F977-F1031 HydrophobicContact CZ-CB 4.23Å; F977-F1031 AromaticContact CZ-CD1 3.24Å; F977-F1031 HydrophobicContact CZ-CD1 3.24Å; F977-F1031 AromaticContact CZ-CE1 3.68Å; F977-F1031 HydrophobicContact CZ-CE1 3.68Å; F977-F1031 AromaticContact CZ-CG 3.88Å; F977-F1031 HydrophobicContact CZ-CG 3.88Å
978	N	45	Very low	42.1	Very low	82 Å²	82	76.9 Å²	76.9	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-39.1	173	-78.2	-32.4	0	0	0	111.8	V974 K975 K981 V982	V974-N978 PolarHBondContact O-N 3.02Å; V974-N978 PolarHBondContact O-ND2 2.7Å; K975-N978 WeakPolarHBondContact O-CB 3.24Å; K975-N978 PolarHBondContact O-N 2.97Å; K975-N978 VanDerWaalsContact O-N 3.11Å; N978-K981 WeakPolarHBondContact O-CB 3.21Å; N978-K981 PolarHBondContact O-N 3.01Å; N978-V982 WeakPolarHBondContact O-CG2 3.37Å; N978-V982 PolarHBondContact O-N 2.98Å; N978-V982 VanDerWaalsContact O-N 3.14Å
979	C	43	Very low	41.2	Very low	83 Å²	83	74.2 Å²	74.2	56%	0.561	41%	0.409	S	S	*	.	H	α-helix	trans	-61.4	-42.9	171.3	-68.5	0	0	0	0	111.6	K975 G976 F977 K981 V982 T983	K975-C979 PolarHBondContact O-N 2.68Å; K975-C979 PolarHBondContact O-SG 3.41Å; G976-C979 WeakPolarHBondContact O-CB 3.13Å; G976-C979 PolarHBondContact O-N 2.8Å; F977-C979 VanDerWaalsContact C-N 3.31Å; F977-C979 PolarHBondContact O-N 3.02Å; C979-K981 PolarHBondContact O-N 3.15Å; C979-V982 WeakPolarHBondContact O-CB 3.49Å; C979-V982 PolarHBondContact O-N 2.75Å; C979-V982 VanDerWaalsContact O-N 3.11Å; C979-T983 PolarHBondContact O-N 2.94Å; C979-T983 PolarHBondContact O-OG1 3.44Å
980	F	41.7	Very low	40.5	Very low	53 Å²	53	77.8 Å²	77.8	23%	0.232	44%	0.435	C	S	.	.	H	α-helix	trans	-60.7	-41.3	175.5	-173.7	-93.6	0	0	0	112.7	V932 G976 F977 V982 T983 H984	V932-F980 HydrophobicContact CG1-CE2 4.44Å; G976-F980 PolarHBondContact O-N 3.07Å; F977-F980 WeakPolarHBondContact O-CB 3.48Å; F977-F980 PolarHBondContact O-N 3.13Å; F977-F980 VanDerWaalsContact O-N 3.14Å; F980-V982 VanDerWaalsContact C-N 3.26Å; F980-V982 PolarHBondContact O-N 3.21Å; F980-T983 WeakPolarHBondContact CA-OG1 2.94Å; F980-T983 PolarHBondContact O-N 3.1Å; F980-T983 PolarHBondContact O-OG1 3.22Å; F980-H984 WeakPolarHBondContact O-CB 3.39Å; F980-H984 PolarHBondContact O-N 2.9Å
981	K	39.3	Very low	39.8	Very low	87 Å²	87	82.2 Å²	82.2	38%	0.378	46%	0.458	S	S	.	.	H	α-helix	trans	-57.8	-38.9	173	176.6	171.5	-177.4	-177.4	0	111.6	F977 N978 C979 A985 F1031	F977-K981 PolarHBondContact O-N 2.96Å; N978-K981 WeakPolarHBondContact O-CB 3.21Å; N978-K981 PolarHBondContact O-N 3.01Å; C979-K981 PolarHBondContact O-N 3.15Å; K981-A985 PolarHBondContact O-N 3.17Å; K981-F1031 HydrophobicContact CB-CE2 4.06Å; K981-F1031 HydrophobicContact CB-CZ 4.21Å; K981-F1031 HydrophobicContact CD-CD2 3.77Å; K981-F1031 HydrophobicContact CD-CE2 3.87Å; K981-F1031 HydrophobicContact CG-CD2 4.01Å; K981-F1031 HydrophobicContact CG-CE2 3.54Å; K981-F1031 HydrophobicContact CG-CZ 4.18Å
982	V	33.7	Very low	39.5	Very low	90 Å²	90	85.4 Å²	85.4	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-71.7	-42.8	177.8	174.9	0	0	0	0	112	N978 C979 F980 H984 A985	N978-V982 WeakPolarHBondContact O-CG2 3.37Å; N978-V982 PolarHBondContact O-N 2.98Å; N978-V982 VanDerWaalsContact O-N 3.14Å; C979-V982 WeakPolarHBondContact O-CB 3.49Å; C979-V982 PolarHBondContact O-N 2.75Å; C979-V982 VanDerWaalsContact O-N 3.11Å; F980-V982 VanDerWaalsContact C-N 3.26Å; F980-V982 PolarHBondContact O-N 3.21Å; V982-H984 VanDerWaalsContact C-N 3.34Å; V982-H984 PolarHBondContact O-N 3.17Å; V982-A985 PolarHBondContact O-N 3.2Å
983	T	36.2	Very low	39.4	Very low	76 Å²	76	86 Å²	86	47%	0.466	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-35	176.2	22.5	0	0	0	0	112.3	C979 F980 A985 R986	C979-T983 PolarHBondContact O-N 2.94Å; C979-T983 PolarHBondContact O-OG1 3.44Å; F980-T983 WeakPolarHBondContact CA-OG1 2.94Å; F980-T983 PolarHBondContact O-N 3.1Å; F980-T983 PolarHBondContact O-OG1 3.22Å; T983-A985 PolarHBondContact O-N 3Å; T983-R986 CarbonylContact O-C 3.39Å; T983-R986 WeakPolarHBondContact O-CA 3.47Å; T983-R986 PolarHBondContact O-N 3.03Å
984	H	34	Very low	39.4	Very low	80 Å²	80	85.5 Å²	85.5	37%	0.37	47%	0.47	S	S	.	.	H	α-helix	trans	-67	-34.3	175.7	-164	-69.7	0	0	0	112.9	F980 V982 R986 G987	F980-H984 WeakPolarHBondContact O-CB 3.39Å; F980-H984 PolarHBondContact O-N 2.9Å; V982-H984 VanDerWaalsContact C-N 3.34Å; V982-H984 PolarHBondContact O-N 3.17Å; H984-R986 PolarHBondContact O-N 3.32Å; H984-G987 PolarHBondContact O-N 2.98Å
985	A	33.2	Very low	39.4	Very low	89 Å²	89	87.1 Å²	87.1	74%	0.736	48%	0.478	S	S	*	.	H	α-helix	trans	-62.5	-21.5	171.9	0	0	0	0	0	112.2	K981 V982 T983	K981-A985 PolarHBondContact O-N 3.17Å; V982-A985 PolarHBondContact O-N 3.2Å; T983-A985 PolarHBondContact O-N 3Å
986	R	30.3	Very low	39.5	Very low	199 Å²	199	83.3 Å²	83.3	75%	0.751	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	46.3	173.3	-62.1	-175.2	179.9	-179.6	0.6	112.2	T983 H984 H988	T983-R986 CarbonylContact O-C 3.39Å; T983-R986 WeakPolarHBondContact O-CA 3.47Å; T983-R986 PolarHBondContact O-N 3.03Å; H984-R986 PolarHBondContact O-N 3.32Å; R986-H988 VanDerWaalsContact C-N 3.32Å; R986-H988 PolarHBondContact O-N 3.5Å
987	G	31.6	Very low	39.8	Very low	67 Å²	67	83.2 Å²	83.2	69%	0.691	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	-11	145.5	0	0	0	0	0	121.7	H984	H984-G987 PolarHBondContact O-N 2.98Å
988	H	28.6	Very low	40.2	Very low	173 Å²	173	83 Å²	83	80%	0.801	46%	0.458	S	S	*	.			trans	-115.1	6.5	-163.8	-80.2	-63	0	0	0	118.6	R986	R986-H988 VanDerWaalsContact C-N 3.32Å; R986-H988 PolarHBondContact O-N 3.5Å
989	C	29.7	Very low	40.7	Very low	84 Å²	84	82.2 Å²	82.2	57%	0.568	46%	0.457	S	S	*	.			trans	-128.6	90.2	176.4	-66.6	0	0	0	0	111.4	L991	C989-L991 PolarHBondContact O-N 2.9Å
990	S	33.9	Very low	41.4	Very low	88 Å²	88	80.3 Å²	80.3	62%	0.615	44%	0.438	S	S	*	.			trans	-56.9	123.1	171.1	50.9	0	0	0	0	111.5	K992	S990-K992 PolarHBondContact O-N 2.89Å
991	L	35.8	Very low	42.4	Very low	96 Å²	96	77.8 Å²	77.8	50%	0.503	43%	0.427	S	S	.	.	S	Bend	trans	40.9	6.4	136.9	-78.9	158.8	0	0	0	122	C989 Y993 P994	C989-L991 PolarHBondContact O-N 2.9Å; L991-Y993 PolarHBondContact O-N 3.22Å; L991-P994 WeakPolarHBondContact O-CD 3.16Å
992	K	43.2	Very low	43.6	Very low	151 Å²	151	74.8 Å²	74.8	66%	0.657	42%	0.416	S	S	*	.	S	Bend	trans	-80.2	-15.3	-174.9	-76.9	-169.6	177.6	-175.4	0	114.7	S990 P994	S990-K992 PolarHBondContact O-N 2.89Å; K992-P994 VanDerWaalsContact C-CD 3.47Å
993	Y	46.7	Very low	44.8	Very low	50 Å²	50	75.9 Å²	75.9	20%	0.196	41%	0.414	C	S	.	.			trans	-120.1	12.6	-170.5	-45.1	-73.4	0	0	0	117.3	D936 L991 D995 I996 A997	D936-Y993 HydrophobicContact CB-CD1 3.89Å; D936-Y993 HydrophobicContact CB-CE1 3.88Å; D936-Y993 VanDerWaalsContact OD2-CD1 3.26Å; D936-Y993 WeakPolarHBondContact OD2-CD1 3.48Å; D936-Y993 WeakPolarHBondContact OD2-CE1 3.3Å; L991-Y993 PolarHBondContact O-N 3.22Å; Y993-D995 VanDerWaalsContact C-N 3.26Å; Y993-D995 PolarHBondContact O-N 3.37Å; Y993-I996 HydrophobicContact CD1-CD1 3.77Å; Y993-I996 HydrophobicContact CG-CD1 4.46Å; Y993-I996 PolarHBondContact O-N 3.31Å; Y993-A997 PolarHBondContact O-N 3.48Å
994	P	50	Low	46.1	Very low	27 Å²	27	72.4 Å²	72.4	18%	0.175	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-34.1	-177.8	25.8	-31.8	0	0	0	111.6	L991 K992 I996 A997 F998 V1036	L991-P994 WeakPolarHBondContact O-CD 3.16Å; K992-P994 VanDerWaalsContact C-CD 3.47Å; P994-I996 VanDerWaalsContact C-N 3.32Å; P994-I996 PolarHBondContact O-N 3.23Å; P994-A997 PolarHBondContact O-N 2.84Å; P994-F998 WeakPolarHBondContact O-CA 3.43Å; P994-F998 WeakPolarHBondContact O-CB 3.3Å; P994-F998 PolarHBondContact O-N 3.44Å; P994-V1036 HydrophobicContact CB-CG2 4.08Å
995	D	48.7	Very low	48.1	Very low	69 Å²	69	68.7 Å²	68.7	37%	0.369	38%	0.375	S	S	.	.	H	α-helix	trans	-66.1	-35.5	-179.7	-64.5	-29.9	0	0	0	112	Y993 T999 R1040	Y993-D995 VanDerWaalsContact C-N 3.26Å; Y993-D995 PolarHBondContact O-N 3.37Å; D995-T999 VanDerWaalsContact O-CB 3.23Å; D995-T999 WeakPolarHBondContact O-CB 3.24Å; D995-T999 PolarHBondContact O-N 3.35Å; D995-T999 PolarHBondContact O-OG1 2.69Å; D995-R1040 IonicContact OD1-NH1 3.68Å; D995-R1040 PolarHBondContact OD1-NH1 3.4Å; D995-R1040 IonicContact OD2-CZ 2.76Å; D995-R1040 IonicContact OD2-NH1 2.86Å; D995-R1040 PolarHBondContact OD2-NH1 3.1Å
996	I	49.5	Very low	49.8	Very low	50 Å²	50	67 Å²	67	26%	0.256	35%	0.353	S	S	.	.	H	α-helix	trans	-74	-49.3	176.5	-53.4	161.1	0	0	0	109.6	D936 Y993 P994 F998 T999 Y1000	D936-I996 HydrophobicContact CB-CD1 3.3Å; D936-I996 WeakPolarHBondContact OD1-CD1 3.28Å; Y993-I996 HydrophobicContact CD1-CD1 3.77Å; Y993-I996 HydrophobicContact CG-CD1 4.46Å; Y993-I996 PolarHBondContact O-N 3.31Å; P994-I996 VanDerWaalsContact C-N 3.32Å; P994-I996 PolarHBondContact O-N 3.23Å; I996-F998 PolarHBondContact O-N 3.03Å; I996-T999 PolarHBondContact O-N 3.09Å; I996-Y1000 WeakPolarHBondContact O-CB 3.3Å; I996-Y1000 PolarHBondContact O-N 2.94Å
997	A	53.8	Low	51.6	Low	27 Å²	27	60.4 Å²	60.4	22%	0.223	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-40.2	176.9	0	0	0	0	0	110.7	Y993 P994 A1001	Y993-A997 PolarHBondContact O-N 3.48Å; P994-A997 PolarHBondContact O-N 2.84Å; A997-A1001 WeakPolarHBondContact O-CB 3.36Å; A997-A1001 PolarHBondContact O-N 3.45Å
998	F	57.3	Low	53.4	Low	21 Å²	21	57.2 Å²	57.2	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-48.6	177	-170.1	-81	0	0	0	112.2	P994 I996 Y1000 A1001 T1002 W1029 I1032 L1043 T1046 S1047	P994-F998 WeakPolarHBondContact O-CA 3.43Å; P994-F998 WeakPolarHBondContact O-CB 3.3Å; P994-F998 PolarHBondContact O-N 3.44Å; I996-F998 PolarHBondContact O-N 3.03Å; F998-Y1000 VanDerWaalsContact C-N 3.31Å; F998-Y1000 PolarHBondContact O-N 3.31Å; F998-A1001 PolarHBondContact O-N 3.38Å; F998-T1002 WeakPolarHBondContact O-CB 3.39Å; F998-T1002 PolarHBondContact O-N 2.87Å; F998-T1002 PolarHBondContact O-OG1 2.98Å; F998-W1029 HydrophobicContact CD2-CH2 4.26Å; F998-W1029 AromaticContact CD2-CZ3 3.74Å; F998-W1029 HydrophobicContact CD2-CZ3 3.74Å; F998-W1029 HydrophobicContact CE1-CH2 4.35Å; F998-W1029 AromaticContact CE2-CH2 3.96Å; F998-W1029 HydrophobicContact CE2-CH2 3.96Å; F998-W1029 AromaticContact CE2-CZ3 3.46Å; F998-W1029 HydrophobicContact CE2-CZ3 3.46Å; F998-W1029 VanDerWaalsContact CE2-CZ3 3.46Å; F998-W1029 HydrophobicContact CG-CZ3 4.42Å; F998-W1029 AromaticContact CZ-CH2 3.95Å; F998-W1029 HydrophobicContact CZ-CH2 3.95Å; F998-W1029 AromaticContact CZ-CZ3 3.89Å; F998-W1029 HydrophobicContact CZ-CZ3 3.89Å; F998-I1032 HydrophobicContact CD2-CG2 4.11Å; F998-L1043 HydrophobicContact CD1-CD2 4.1Å; F998-L1043 HydrophobicContact CD2-CB 4.37Å; F998-L1043 HydrophobicContact CD2-CD2 3.98Å; F998-L1043 HydrophobicContact CE1-CD2 4.31Å; F998-L1043 HydrophobicContact CE2-CB 4.34Å; F998-L1043 HydrophobicContact CE2-CD2 4.16Å; F998-L1043 WeakPolarHBondContact CE2-O 3.48Å; F998-L1043 HydrophobicContact CG-CD2 3.99Å; F998-L1043 HydrophobicContact CZ-CD2 4.37Å; F998-T1046 HydrophobicContact CE1-CG2 4.01Å; F998-T1046 HydrophobicContact CZ-CG2 3.46Å; F998-T1046 VanDerWaalsContact CZ-CG2 3.46Å; F998-S1047 VanDerWaalsContact CE2-OG 3.31Å; F998-S1047 WeakPolarHBondContact CE2-OG 3.09Å
999	T	54.6	Low	55.5	Low	66 Å²	66	51 Å²	51	41%	0.405	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-42.3	177.7	-59.4	0	0	0	0	110.9	Y950 D995 I996 T1002 K1003	Y950-T999 HydrophobicContact CE1-CG2 4.4Å; D995-T999 VanDerWaalsContact O-CB 3.23Å; D995-T999 WeakPolarHBondContact O-CB 3.24Å; D995-T999 PolarHBondContact O-N 3.35Å; D995-T999 PolarHBondContact O-OG1 2.69Å; I996-T999 PolarHBondContact O-N 3.09Å; T999-T1002 WeakPolarHBondContact O-CB 3.5Å; T999-T1002 PolarHBondContact O-N 3.43Å; T999-K1003 PolarHBondContact O-N 2.78Å; T999-K1003 VanDerWaalsContact O-N 3.13Å
1000	Y	57.5	Low	57.4	Low	43 Å²	43	52.5 Å²	52.5	17%	0.169	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-49.2	178.5	-163.8	-83.4	0	0	0	111.5	L957 L973 I996 F998 T1002 K1003 V1004 W1028	L957-Y1000 HydrophobicContact CD1-CD2 4.26Å; L957-Y1000 HydrophobicContact CD1-CE2 3.35Å; L957-Y1000 WeakPolarHBondContact CD1-OH 3.34Å; L957-Y1000 HydrophobicContact CD2-CE2 4.15Å; L957-Y1000 WeakPolarHBondContact CD2-OH 3.43Å; L957-Y1000 HydrophobicContact CG-CE2 4.37Å; L973-Y1000 HydrophobicContact CD1-CE1 4.28Å; L973-Y1000 WeakPolarHBondContact CD1-OH 3.23Å; L973-Y1000 HydrophobicContact CD2-CE1 4.1Å; L973-Y1000 WeakPolarHBondContact CD2-OH 3.16Å; L973-Y1000 WeakPolarHBondContact CG-OH 3.46Å; I996-Y1000 WeakPolarHBondContact O-CB 3.3Å; I996-Y1000 PolarHBondContact O-N 2.94Å; F998-Y1000 VanDerWaalsContact C-N 3.31Å; F998-Y1000 PolarHBondContact O-N 3.31Å; Y1000-T1002 PolarHBondContact O-N 3.13Å; Y1000-K1003 PolarHBondContact O-N 3.32Å; Y1000-K1003 VanDerWaalsContact O-N 3.12Å; Y1000-V1004 HydrophobicContact CD1-CG2 3.88Å; Y1000-V1004 HydrophobicContact CE1-CG2 3.59Å; Y1000-V1004 WeakPolarHBondContact O-CG2 2.92Å; Y1000-V1004 PolarHBondContact O-N 2.8Å; Y1000-W1028 AromaticContact CD1-CH2 3.46Å; Y1000-W1028 HydrophobicContact CD1-CH2 3.46Å; Y1000-W1028 VanDerWaalsContact CD1-CH2 3.46Å; Y1000-W1028 AromaticContact CD1-CZ2 3.96Å; Y1000-W1028 HydrophobicContact CD1-CZ2 3.96Å; Y1000-W1028 HydrophobicContact CD1-CZ3 4.42Å; Y1000-W1028 AromaticContact CE1-CH2 3.74Å; Y1000-W1028 HydrophobicContact CE1-CH2 3.74Å
1001	A	63.2	Low	58.9	Low	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-36.5	174.3	0	0	0	0	0	111.7	A997 F998 H1005 W1028 W1029 I1032	A997-A1001 WeakPolarHBondContact O-CB 3.36Å; A997-A1001 PolarHBondContact O-N 3.45Å; F998-A1001 PolarHBondContact O-N 3.38Å; A1001-H1005 WeakPolarHBondContact O-CB 3.39Å; A1001-H1005 PolarHBondContact O-N 2.82Å; A1001-W1028 HydrophobicContact CB-CD2 4.05Å; A1001-W1028 HydrophobicContact CB-CG 4.4Å; A1001-W1028 HydrophobicContact CB-CZ2 4.31Å; A1001-W1029 HydrophobicContact CB-CH2 3.89Å; A1001-W1029 HydrophobicContact CB-CZ2 3.92Å; A1001-W1029 HydrophobicContact CB-CZ3 4.3Å; A1001-I1032 HydrophobicContact CB-CD1 3.65Å
1002	T	64	Low	60.4	Low	25 Å²	25	49.7 Å²	49.7	15%	0.153	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-45.1	175.1	-56	0	0	0	0	111.9	F998 T999 Y1000 H1005 D1006 R1050	F998-T1002 WeakPolarHBondContact O-CB 3.39Å; F998-T1002 PolarHBondContact O-N 2.87Å; F998-T1002 PolarHBondContact O-OG1 2.98Å; T999-T1002 WeakPolarHBondContact O-CB 3.5Å; T999-T1002 PolarHBondContact O-N 3.43Å; Y1000-T1002 PolarHBondContact O-N 3.13Å; T1002-H1005 WeakPolarHBondContact O-CB 3.34Å; T1002-H1005 PolarHBondContact O-N 3.22Å; T1002-D1006 PolarHBondContact O-N 3.29Å; T1002-R1050 VanDerWaalsContact CG2-NH2 3.34Å
1003	K	59.3	Low	61.5	Low	113 Å²	113	46 Å²	46	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-70.4	-41.4	178.7	-74.3	-67	-172.7	-178.6	0	113.2	T999 Y1000 H1005 D1006 Y1007	T999-K1003 PolarHBondContact O-N 2.78Å; T999-K1003 VanDerWaalsContact O-N 3.13Å; Y1000-K1003 PolarHBondContact O-N 3.32Å; Y1000-K1003 VanDerWaalsContact O-N 3.12Å; K1003-H1005 VanDerWaalsContact C-N 3.27Å; K1003-H1005 PolarHBondContact O-N 2.7Å; K1003-D1006 PolarHBondContact O-N 2.77Å; K1003-Y1007 WeakPolarHBondContact O-CB 3.24Å; K1003-Y1007 PolarHBondContact O-N 3.47Å
1004	V	64.1	Low	62.3	Low	3 Å²	3	47.9 Å²	47.9	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-42.1	174.2	178.4	0	0	0	0	109.9	L970 Y1000 Y1007 V1008 V1025 W1028	L970-V1004 HydrophobicContact CD2-CG1 3.84Å; Y1000-V1004 HydrophobicContact CD1-CG2 3.88Å; Y1000-V1004 HydrophobicContact CE1-CG2 3.59Å; Y1000-V1004 WeakPolarHBondContact O-CG2 2.92Å; Y1000-V1004 PolarHBondContact O-N 2.8Å; V1004-Y1007 PolarHBondContact O-N 3.35Å; V1004-V1008 HydrophobicContact CG1-CG2 4.22Å; V1004-V1008 WeakPolarHBondContact O-CB 3.2Å; V1004-V1008 VanDerWaalsContact O-CG2 3.28Å; V1004-V1008 WeakPolarHBondContact O-CG2 3.13Å; V1004-V1008 PolarHBondContact O-N 2.94Å; V1004-V1025 HydrophobicContact CG1-CG2 3.94Å; V1004-W1028 HydrophobicContact CB-CZ3 3.97Å; V1004-W1028 HydrophobicContact CG1-CE3 4.49Å; V1004-W1028 HydrophobicContact CG1-CZ3 3.98Å; V1004-W1028 HydrophobicContact CG2-CH2 4.24Å; V1004-W1028 HydrophobicContact CG2-CZ3 3.9Å
1005	H	74.3	Confident	63	Low	2 Å²	2	49.2 Å²	49.2	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-57.1	-54.3	171.8	173.8	106.4	0	0	0	111	A1001 T1002 K1003 Y1007 V1008 M1009 V1025 W1029 R1050 E1053 V1054	A1001-H1005 WeakPolarHBondContact O-CB 3.39Å; A1001-H1005 PolarHBondContact O-N 2.82Å; T1002-H1005 WeakPolarHBondContact O-CB 3.34Å; T1002-H1005 PolarHBondContact O-N 3.22Å; K1003-H1005 VanDerWaalsContact C-N 3.27Å; K1003-H1005 PolarHBondContact O-N 2.7Å; H1005-Y1007 VanDerWaalsContact C-N 3.27Å; H1005-Y1007 PolarHBondContact O-N 3.4Å; H1005-V1008 PolarHBondContact O-N 2.77Å; H1005-M1009 WeakPolarHBondContact O-CB 3.22Å; H1005-M1009 WeakPolarHBondContact O-CG 3.4Å; H1005-M1009 PolarHBondContact O-N 3.15Å; H1005-V1025 HydrophobicContact CB-CG1 3.71Å; H1005-W1029 HydrophobicContact CB-CZ2 4.33Å; H1005-W1029 AromaticContact CG-NE1 3.76Å; H1005-W1029 AromaticContact ND1-CD1 3.96Å; H1005-W1029 AromaticContact ND1-NE1 3.3Å; H1005-W1029 PolarHBondContact ND1-NE1 2.94Å; H1005-R1050 PolarHBondContact CD2-NH1 2.81Å; H1005-R1050 PolarHBondContact CE1-O 3.14Å; H1005-R1050 VanDerWaalsContact CE1-O 3.23Å; H1005-R1050 PolarHBondContact NE2-NH1 2.92Å; H1005-E1053 IonicContact NE2-OE2 2.75Å; H1005-E1053 PolarHBondContact NE2-OE2 3.11Å; H1005-V1054 VanDerWaalsContact CE1-CG2 3.46Å; H1005-V1054 WeakPolarHBondContact CE1-CG2 3.44Å; H1005-V1054 WeakPolarHBondContact ND1-CG2 3.42Å
1006	D	69.1	Low	63.7	Low	52 Å²	52	50.9 Å²	50.9	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-39.4	-179.1	-65	-26.8	0	0	0	111.6	T1002 K1003 T1010 R1050	T1002-D1006 PolarHBondContact O-N 3.29Å; K1003-D1006 PolarHBondContact O-N 2.77Å; D1006-T1010 WeakPolarHBondContact O-CB 3.13Å; D1006-T1010 VanDerWaalsContact O-CG2 3.24Å; D1006-T1010 WeakPolarHBondContact O-CG2 3.45Å; D1006-T1010 PolarHBondContact O-N 3Å; D1006-T1010 PolarHBondContact O-OG1 3.02Å; D1006-R1050 IonicContact OD1-CZ 3.82Å; D1006-R1050 VanDerWaalsContact OD1-CZ 3.32Å; D1006-R1050 IonicContact OD1-NH1 2.7Å; D1006-R1050 PolarHBondContact OD1-NH1 3.5Å; D1006-R1050 VanDerWaalsContact OD1-NH1 3.1Å; D1006-R1050 IonicContact OD1-NH2 3.62Å; D1006-R1050 PolarHBondContact OD1-NH2 2.66Å; D1006-R1050 IonicContact OD2-NH2 2.61Å
1007	Y	68.7	Low	64.6	Low	61 Å²	61	51.1 Å²	51.1	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-49.3	175.7	-177.6	-104.9	0	0	0	112.3	F958 N966 L970 K1003 V1004 H1005 M1009 T1010 M1011	F958-Y1007 HydrophobicContact CD1-CD1 4.13Å; F958-Y1007 AromaticContact CD1-CD2 3.96Å; F958-Y1007 HydrophobicContact CD1-CD2 3.96Å; F958-Y1007 AromaticContact CD1-CE1 3.97Å; F958-Y1007 HydrophobicContact CD1-CE1 3.97Å; F958-Y1007 AromaticContact CD1-CE2 3.83Å; F958-Y1007 HydrophobicContact CD1-CE2 3.83Å; F958-Y1007 HydrophobicContact CD1-CG 4.12Å; F958-Y1007 AromaticContact CD1-CZ 3.84Å; F958-Y1007 AromaticContact CE1-CD1 3.56Å; F958-Y1007 HydrophobicContact CE1-CD1 3.56Å; F958-Y1007 HydrophobicContact CE1-CD2 4.1Å; F958-Y1007 AromaticContact CE1-CE1 3.69Å; F958-Y1007 HydrophobicContact CE1-CE1 3.69Å; F958-Y1007 HydrophobicContact CE1-CE2 4.25Å; F958-Y1007 AromaticContact CE1-CG 3.77Å; F958-Y1007 HydrophobicContact CE1-CG 3.77Å; F958-Y1007 HydrophobicContact CG-CD2 4.43Å; F958-Y1007 HydrophobicContact CG-CE2 4.46Å; F958-Y1007 HydrophobicContact CZ-CD1 4.2Å; F958-Y1007 HydrophobicContact CZ-CG 4.16Å; N966-Y1007 PolarHBondContact ND2-OH 3.4Å; L970-Y1007 HydrophobicContact CD1-CD1 3.8Å; L970-Y1007 HydrophobicContact CD1-CE1 3.56Å; K1003-Y1007 WeakPolarHBondContact O-CB 3.24Å; K1003-Y1007 PolarHBondContact O-N 3.47Å; V1004-Y1007 PolarHBondContact O-N 3.35Å; H1005-Y1007 VanDerWaalsContact C-N 3.27Å; H1005-Y1007 PolarHBondContact O-N 3.4Å; Y1007-M1009 VanDerWaalsContact C-N 3.31Å; Y1007-M1009 PolarHBondContact O-N 2.83Å; Y1007-T1010 WeakPolarHBondContact CA-OG1 3.48Å; Y1007-T1010 CarbonylContact O-C 3.57Å; Y1007-T1010 PolarHBondContact O-N 3.37Å; Y1007-T1010 PolarHBondContact O-OG1 2.88Å; Y1007-M1011 HydrophobicContact CD1-CE 3.76Å; Y1007-M1011 HydrophobicContact CE1-CE 3.21Å; Y1007-M1011 HydrophobicContact CE1-CG 4.39Å; Y1007-M1011 WeakPolarHBondContact O-CG 3.37Å; Y1007-M1011 PolarHBondContact O-N 2.97Å
1008	V	69.5	Low	65.2	Low	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-36.3	179.3	170.6	0	0	0	0	111.6	L970 V1004 H1005 T1010 M1011 R1018 W1021 R1022 V1025	L970-V1008 HydrophobicContact CD2-CG2 4.18Å; V1004-V1008 HydrophobicContact CG1-CG2 4.22Å; V1004-V1008 WeakPolarHBondContact O-CB 3.2Å; V1004-V1008 VanDerWaalsContact O-CG2 3.28Å; V1004-V1008 WeakPolarHBondContact O-CG2 3.13Å; V1004-V1008 PolarHBondContact O-N 2.94Å; H1005-V1008 PolarHBondContact O-N 2.77Å; V1008-T1010 VanDerWaalsContact C-N 3.35Å; V1008-M1011 WeakPolarHBondContact O-CB 3.42Å; V1008-M1011 PolarHBondContact O-N 3.38Å; V1008-R1018 PolarHBondContact O-NE 3.45Å; V1008-W1021 HydrophobicContact CG1-CB 3.83Å; V1008-W1021 HydrophobicContact CG2-CB 3.97Å; V1008-R1022 HydrophobicContact CG1-CB 4.43Å; V1008-R1022 HydrophobicContact CG1-CG 3.7Å; V1008-V1025 HydrophobicContact CB-CG2 4.16Å; V1008-V1025 HydrophobicContact CG1-CG2 4.33Å; V1008-V1025 HydrophobicContact CG2-CG2 3.93Å
1009	M	72	Confident	65.7	Low	44 Å²	44	52.6 Å²	52.6	22%	0.217	30%	0.297	C	S	.	.	H	α-helix	trans	-72.5	-29.5	177.2	-64	-55.7	-71.4	0	0	112	H1005 Y1007 R1018 R1022 E1053 V1054	H1005-M1009 WeakPolarHBondContact O-CB 3.22Å; H1005-M1009 WeakPolarHBondContact O-CG 3.4Å; H1005-M1009 PolarHBondContact O-N 3.15Å; Y1007-M1009 VanDerWaalsContact C-N 3.31Å; Y1007-M1009 PolarHBondContact O-N 2.83Å; M1009-R1018 PolarHBondContact O-NH2 3.07Å; M1009-R1022 HydrophobicContact SD-CG 4.49Å; M1009-E1053 WeakPolarHBondContact CE-O 3.26Å; M1009-V1054 HydrophobicContact SD-CG2 4.33Å
1010	T	69.6	Low	66.4	Low	114 Å²	114	54.3 Å²	54.3	70%	0.699	30%	0.303	S	S	*	.	H	α-helix	trans	-87.4	-9.8	174.7	53.4	0	0	0	0	114.4	D1006 Y1007 V1008 D1012	D1006-T1010 WeakPolarHBondContact O-CB 3.13Å; D1006-T1010 VanDerWaalsContact O-CG2 3.24Å; D1006-T1010 WeakPolarHBondContact O-CG2 3.45Å; D1006-T1010 PolarHBondContact O-N 3Å; D1006-T1010 PolarHBondContact O-OG1 3.02Å; Y1007-T1010 WeakPolarHBondContact CA-OG1 3.48Å; Y1007-T1010 CarbonylContact O-C 3.57Å; Y1007-T1010 PolarHBondContact O-N 3.37Å; Y1007-T1010 PolarHBondContact O-OG1 2.88Å; V1008-T1010 VanDerWaalsContact C-N 3.35Å; T1010-D1012 PolarHBondContact O-N 3.29Å
1011	M	66.4	Low	66.9	Low	28 Å²	28	52.9 Å²	52.9	14%	0.138	30%	0.297	C	S	.	.	S	Bend	trans	-55.2	138.1	171.1	-80.3	-173.7	174.2	0	0	110.4	L970 Y1007 V1008 S1013 R1018	L970-M1011 HydrophobicContact CD1-CE 4.23Å; Y1007-M1011 HydrophobicContact CD1-CE 3.76Å; Y1007-M1011 HydrophobicContact CE1-CE 3.21Å; Y1007-M1011 HydrophobicContact CE1-CG 4.39Å; Y1007-M1011 WeakPolarHBondContact O-CG 3.37Å; Y1007-M1011 PolarHBondContact O-N 2.97Å; V1008-M1011 WeakPolarHBondContact O-CB 3.42Å; V1008-M1011 PolarHBondContact O-N 3.38Å; M1011-S1013 PolarHBondContact O-N 3.08Å; M1011-R1018 HydrophobicContact CB-CG 4.23Å; M1011-R1018 PolarHBondContact O-NE 2.89Å; M1011-R1018 VanDerWaalsContact O-NE 3.08Å; M1011-R1018 PolarHBondContact O-NH2 2.83Å
1012	D	67.4	Low	67.5	Low	97 Å²	97	53.1 Å²	53.1	52%	0.519	30%	0.298	S	S	.	.			trans	-58.9	134.1	173.7	-173.5	-12.8	0	0	0	110.2	T1010 S1014 V1015	T1010-D1012 PolarHBondContact O-N 3.29Å; D1012-S1014 PolarHBondContact O-N 2.68Å; D1012-S1014 PolarHBondContact OD1-N 3.1Å; D1012-S1014 PolarHBondContact OD1-OG 3.16Å; D1012-S1014 PolarHBondContact OD2-OG 3.5Å; D1012-V1015 WeakPolarHBondContact O-CB 3.45Å; D1012-V1015 WeakPolarHBondContact O-CG2 3.48Å; D1012-V1015 PolarHBondContact O-N 3.32Å
1013	S	65.9	Low	67.9	Low	74 Å²	74	53.1 Å²	53.1	52%	0.517	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-24.8	169.8	44.4	0	0	0	0	114.5	M1011 V1015 E1059	M1011-S1013 PolarHBondContact O-N 3.08Å; S1013-V1015 PolarHBondContact O-N 2.99Å; S1013-E1059 WeakPolarHBondContact CB-OE1 3.47Å
1014	S	62.5	Low	68.5	Low	89 Å²	89	48.5 Å²	48.5	62%	0.622	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.2	177.9	66.2	0	0	0	0	114.6	D1012 S1016	D1012-S1014 PolarHBondContact O-N 2.68Å; D1012-S1014 PolarHBondContact OD1-N 3.1Å; D1012-S1014 PolarHBondContact OD1-OG 3.16Å; D1012-S1014 PolarHBondContact OD2-OG 3.5Å; S1014-S1016 PolarHBondContact O-N 2.93Å
1015	V	64.6	Low	69	Low	55 Å²	55	48.5 Å²	48.5	33%	0.333	28%	0.279	S	S	.	.			trans	-75.7	111	179.3	179.4	0	0	0	0	110.3	D1012 S1013 E1017 R1018	D1012-V1015 WeakPolarHBondContact O-CB 3.45Å; D1012-V1015 WeakPolarHBondContact O-CG2 3.48Å; D1012-V1015 PolarHBondContact O-N 3.32Å; S1013-V1015 PolarHBondContact O-N 2.99Å; V1015-E1017 PolarHBondContact O-N 3.2Å; V1015-E1017 VanDerWaalsContact O-N 3.12Å; V1015-R1018 HydrophobicContact CB-CB 4.27Å; V1015-R1018 WeakPolarHBondContact O-CB 3.49Å; V1015-R1018 PolarHBondContact O-N 3.45Å
1016	S	65	Low	69	Low	104 Å²	104	48.4 Å²	48.4	73%	0.727	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.1	-174.9	52.9	0	0	0	0	114.6	S1014 P1019	S1014-S1016 PolarHBondContact O-N 2.93Å; S1016-P1019 WeakPolarHBondContact O-CD 3.29Å
1017	E	67	Low	69.2	Low	56 Å²	56	49.3 Å²	49.3	26%	0.262	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.7	179.5	-80.1	160.7	120.3	0	0	113.6	E967 K971 V1015 P1019 I1020 W1021	E967-E1017 VanDerWaalsContact CD-CD 3.44Å; E967-E1017 VanDerWaalsContact CD-OE2 3.22Å; E967-E1017 WeakPolarHBondContact OE1-CB 3.41Å; K971-E1017 IonicContact NZ-OE1 3.31Å; K971-E1017 PolarHBondContact NZ-OE1 3.16Å; V1015-E1017 PolarHBondContact O-N 3.2Å; V1015-E1017 VanDerWaalsContact O-N 3.12Å; E1017-P1019 VanDerWaalsContact C-CD 3.43Å; E1017-I1020 HydrophobicContact CG-CD1 4.42Å; E1017-I1020 WeakPolarHBondContact O-CB 3.47Å; E1017-I1020 PolarHBondContact O-N 2.77Å; E1017-W1021 PolarHBondContact O-N 2.94Å; E1017-W1021 VanDerWaalsContact O-N 3.11Å
1018	R	67.1	Low	69.4	Low	27 Å²	27	47.2 Å²	47.2	10%	0.102	27%	0.273	C	S	.	.	H	α-helix	trans	-53.1	-41.1	-179.3	-173.5	-175.5	-176.5	-152.6	14.9	113.8	V1008 M1009 M1011 V1015 I1020 W1021 R1022 E1059	V1008-R1018 PolarHBondContact O-NE 3.45Å; M1009-R1018 PolarHBondContact O-NH2 3.07Å; M1011-R1018 HydrophobicContact CB-CG 4.23Å; M1011-R1018 PolarHBondContact O-NE 2.89Å; M1011-R1018 VanDerWaalsContact O-NE 3.08Å; M1011-R1018 PolarHBondContact O-NH2 2.83Å; V1015-R1018 HydrophobicContact CB-CB 4.27Å; V1015-R1018 WeakPolarHBondContact O-CB 3.49Å; V1015-R1018 PolarHBondContact O-N 3.45Å; R1018-I1020 VanDerWaalsContact C-N 3.33Å; R1018-I1020 PolarHBondContact O-N 3.41Å; R1018-W1021 PolarHBondContact O-N 3.35Å; R1018-R1022 HydrophobicContact CG-CG 4.43Å; R1018-R1022 WeakPolarHBondContact O-CG 3.19Å; R1018-R1022 PolarHBondContact O-N 2.84Å; R1018-E1059 IonicContact CZ-OE2 2.94Å; R1018-E1059 IonicContact NH1-OE1 3.97Å; R1018-E1059 PolarHBondContact NH1-OE1 3.21Å; R1018-E1059 IonicContact NH1-OE2 2.63Å; R1018-E1059 PolarHBondContact NH1-OE2 3.41Å; R1018-E1059 VanDerWaalsContact NH1-OE2 3.08Å
1019	P	68.8	Low	69.8	Low	51 Å²	51	47.2 Å²	47.2	33%	0.331	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-41.9	176.9	-24.7	35.5	0	0	0	113	S1016 E1017 W1021 R1022 L1023	S1016-P1019 WeakPolarHBondContact O-CD 3.29Å; E1017-P1019 VanDerWaalsContact C-CD 3.43Å; P1019-W1021 VanDerWaalsContact C-N 3.31Å; P1019-W1021 PolarHBondContact O-N 2.91Å; P1019-R1022 PolarHBondContact O-N 3.32Å; P1019-L1023 PolarHBondContact O-N 3.25Å
1020	I	68.3	Low	69.7	Low	103 Å²	103	45.3 Å²	45.3	53%	0.528	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-42.2	177.4	-58.5	172.3	0	0	0	109.8	E1017 R1018 L1023 A1024	E1017-I1020 HydrophobicContact CG-CD1 4.42Å; E1017-I1020 WeakPolarHBondContact O-CB 3.47Å; E1017-I1020 PolarHBondContact O-N 2.77Å; R1018-I1020 VanDerWaalsContact C-N 3.33Å; R1018-I1020 PolarHBondContact O-N 3.41Å; I1020-L1023 PolarHBondContact O-N 3.23Å; I1020-A1024 PolarHBondContact O-N 3.18Å
1021	W	68.4	Low	69.5	Low	12 Å²	12	41.2 Å²	41.2	5%	0.045	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-41.3	176.7	-68.7	120.6	0	0	0	113	E967 L970 K971 V974 V1008 E1017 R1018 P1019 L1023 A1024 V1025	E967-W1021 HydrophobicContact CG-CZ2 3.76Å; E967-W1021 PolarHBondContact OE1-NE1 2.94Å; L970-W1021 HydrophobicContact CB-CE3 4.22Å; L970-W1021 HydrophobicContact CB-CH2 3.62Å; L970-W1021 HydrophobicContact CB-CZ2 4Å; L970-W1021 HydrophobicContact CB-CZ3 3.72Å; L970-W1021 HydrophobicContact CD2-CD2 4.04Å; L970-W1021 HydrophobicContact CD2-CE3 3.5Å; L970-W1021 HydrophobicContact CD2-CH2 4.43Å; L970-W1021 HydrophobicContact CD2-CZ3 3.74Å; L970-W1021 HydrophobicContact CG-CE3 4.48Å; L970-W1021 HydrophobicContact CG-CZ3 4.38Å; K971-W1021 HydrophobicContact CB-CH2 4.05Å; K971-W1021 HydrophobicContact CD-CZ2 4.34Å; K971-W1021 HydrophobicContact CG-CH2 3.33Å; K971-W1021 HydrophobicContact CG-CZ2 3.55Å; K971-W1021 VanDerWaalsContact N-CH2 3.3Å; V974-W1021 HydrophobicContact CG2-CZ3 3.87Å; V1008-W1021 HydrophobicContact CG1-CB 3.83Å; V1008-W1021 HydrophobicContact CG2-CB 3.97Å; E1017-W1021 PolarHBondContact O-N 2.94Å; E1017-W1021 VanDerWaalsContact O-N 3.11Å; R1018-W1021 PolarHBondContact O-N 3.35Å; P1019-W1021 VanDerWaalsContact C-N 3.31Å; P1019-W1021 PolarHBondContact O-N 2.91Å; W1021-L1023 VanDerWaalsContact C-N 3.34Å; W1021-L1023 PolarHBondContact O-N 3.28Å; W1021-A1024 PolarHBondContact O-N 3.09Å; W1021-V1025 WeakPolarHBondContact O-CG2 3.33Å; W1021-V1025 PolarHBondContact O-N 3.2Å
1022	R	75.8	Confident	69.4	Low	5 Å²	5	40.2 Å²	40.2	2%	0.019	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-42.2	174.7	-77	-179.6	63.5	-156.5	-4	111.5	V1008 M1009 R1018 P1019 V1025 G1026 V1054 S1057 E1059 F1061	V1008-R1022 HydrophobicContact CG1-CB 4.43Å; V1008-R1022 HydrophobicContact CG1-CG 3.7Å; M1009-R1022 HydrophobicContact SD-CG 4.49Å; R1018-R1022 HydrophobicContact CG-CG 4.43Å; R1018-R1022 WeakPolarHBondContact O-CG 3.19Å; R1018-R1022 PolarHBondContact O-N 2.84Å; P1019-R1022 PolarHBondContact O-N 3.32Å; R1022-V1025 PolarHBondContact O-N 3.1Å; R1022-G1026 PolarHBondContact O-N 3.04Å; R1022-V1054 PolarHBondContact NH2-O 2.87Å; R1022-V1054 WeakPolarHBondContact O-CG1 3.5Å; R1022-S1057 PolarHBondContact NH1-OG 3.46Å; R1022-S1057 PolarHBondContact NH2-OG 2.92Å; R1022-E1059 PolarHBondContact NH1-O 3.47Å; R1022-E1059 IonicContact NH1-OE2 3.3Å; R1022-E1059 PolarHBondContact NH2-O 3.12Å; R1022-E1059 VanDerWaalsContact NH2-O 3.17Å; R1022-F1061 HydrophobicContact CB-CE1 4.08Å; R1022-F1061 HydrophobicContact CB-CZ 3.94Å
1023	L	72.9	Confident	69.3	Low	25 Å²	25	35.7 Å²	35.7	13%	0.131	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-47.2	174.9	179.7	64.7	0	0	0	111.4	P1019 I1020 W1021 V1025 G1026 Q1027 F1061 E1065 L1069	P1019-L1023 PolarHBondContact O-N 3.25Å; I1020-L1023 PolarHBondContact O-N 3.23Å; W1021-L1023 VanDerWaalsContact C-N 3.34Å; W1021-L1023 PolarHBondContact O-N 3.28Å; L1023-V1025 PolarHBondContact O-N 2.82Å; L1023-G1026 PolarHBondContact O-N 3.37Å; L1023-Q1027 HydrophobicContact CD1-CG 4.44Å; L1023-Q1027 WeakPolarHBondContact O-CG 3.34Å; L1023-Q1027 PolarHBondContact O-N 2.92Å; L1023-F1061 HydrophobicContact CB-CE1 4.33Å; L1023-E1065 HydrophobicContact CD1-CB 4.03Å; L1023-E1065 HydrophobicContact CD1-CG 4.45Å; L1023-E1065 HydrophobicContact CD2-CG 4.06Å; L1023-L1069 HydrophobicContact CD1-CD1 3.89Å; L1023-L1069 HydrophobicContact CD1-CG 3.84Å
1024	A	70.4	Confident	69	Low	16 Å²	16	33.5 Å²	33.5	13%	0.132	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-43.1	178.8	0	0	0	0	0	112.1	V974 I1020 W1021 Q1027 W1028	V974-A1024 HydrophobicContact CG1-CB 4.45Å; V974-A1024 HydrophobicContact CG2-CB 4.26Å; I1020-A1024 PolarHBondContact O-N 3.18Å; W1021-A1024 PolarHBondContact O-N 3.09Å; A1024-Q1027 PolarHBondContact O-N 3.16Å; A1024-W1028 WeakPolarHBondContact O-CB 3.39Å; A1024-W1028 PolarHBondContact O-N 2.84Å
1025	V	75.7	Confident	68.7	Low	3 Å²	3	31.1 Å²	31.1	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-40.6	174.8	171.5	0	0	0	0	111.5	V1004 H1005 V1008 W1021 R1022 L1023 W1028 W1029 V1054	V1004-V1025 HydrophobicContact CG1-CG2 3.94Å; H1005-V1025 HydrophobicContact CB-CG1 3.71Å; V1008-V1025 HydrophobicContact CB-CG2 4.16Å; V1008-V1025 HydrophobicContact CG1-CG2 4.33Å; V1008-V1025 HydrophobicContact CG2-CG2 3.93Å; W1021-V1025 WeakPolarHBondContact O-CG2 3.33Å; W1021-V1025 PolarHBondContact O-N 3.2Å; R1022-V1025 PolarHBondContact O-N 3.1Å; L1023-V1025 PolarHBondContact O-N 2.82Å; V1025-W1028 WeakPolarHBondContact O-CB 3.24Å; V1025-W1028 PolarHBondContact O-N 2.81Å; V1025-W1029 PolarHBondContact O-N 3.06Å; V1025-V1054 HydrophobicContact CG1-CG2 3.96Å
1026	G	74.9	Confident	68.3	Low	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-47.4	175.2	0	0	0	0	0	112.3	R1022 L1023 W1028 W1029 C1030	R1022-G1026 PolarHBondContact O-N 3.04Å; L1023-G1026 PolarHBondContact O-N 3.37Å; G1026-W1028 VanDerWaalsContact C-N 3.25Å; G1026-W1028 PolarHBondContact O-N 3.11Å; G1026-W1029 PolarHBondContact O-N 3.02Å; G1026-C1030 PolarHBondContact O-N 3.13Å
1027	Q	72.8	Confident	67.5	Low	72 Å²	72	25.1 Å²	25.1	34%	0.336	13%	0.134	S	C	.	.	H	α-helix	trans	-60.7	-37.2	175.4	-72.6	176.6	-13.7	0	0	111.7	L1023 A1024 C1030 F1031 L1069	L1023-Q1027 HydrophobicContact CD1-CG 4.44Å; L1023-Q1027 WeakPolarHBondContact O-CG 3.34Å; L1023-Q1027 PolarHBondContact O-N 2.92Å; A1024-Q1027 PolarHBondContact O-N 3.16Å; Q1027-C1030 PolarHBondContact O-N 3.36Å; Q1027-F1031 PolarHBondContact O-N 3.4Å; Q1027-L1069 HydrophobicContact CG-CD2 4.3Å
1028	W	73.1	Confident	66.5	Low	16 Å²	16	27.9 Å²	27.9	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-48.4	174.5	-161.5	-11.6	0	0	0	111.4	F977 Y1000 A1001 V1004 A1024 V1025 G1026 C1030 F1031 I1032	F977-W1028 HydrophobicContact CB-CZ2 4.47Å; F977-W1028 HydrophobicContact CD1-CG 4.36Å; F977-W1028 AromaticContact CD2-CE2 3.73Å; F977-W1028 AromaticContact CD2-CZ2 3.91Å; F977-W1028 HydrophobicContact CD2-CZ2 3.91Å; F977-W1028 AromaticContact CD2-NE1 3.33Å; F977-W1028 VanDerWaalsContact CD2-NE1 3.33Å; F977-W1028 AromaticContact CE1-CD1 3.4Å; F977-W1028 VanDerWaalsContact CE1-CD1 3.4Å; F977-W1028 HydrophobicContact CE1-CG 4.03Å; F977-W1028 AromaticContact CE1-NE1 3.7Å; F977-W1028 AromaticContact CE2-CD1 3.52Å; F977-W1028 AromaticContact CE2-CE2 3.86Å; F977-W1028 HydrophobicContact CE2-CZ2 4.4Å; F977-W1028 AromaticContact CE2-NE1 2.97Å; F977-W1028 AromaticContact CG-CE2 3.96Å; F977-W1028 HydrophobicContact CG-CZ2 4.21Å; F977-W1028 AromaticContact CG-NE1 3.81Å; F977-W1028 AromaticContact CZ-CD1 3.09Å; F977-W1028 HydrophobicContact CZ-CG 4.12Å; F977-W1028 AromaticContact CZ-NE1 3.13Å; Y1000-W1028 AromaticContact CD1-CH2 3.46Å; Y1000-W1028 HydrophobicContact CD1-CH2 3.46Å; Y1000-W1028 VanDerWaalsContact CD1-CH2 3.46Å; Y1000-W1028 AromaticContact CD1-CZ2 3.96Å; Y1000-W1028 HydrophobicContact CD1-CZ2 3.96Å; Y1000-W1028 HydrophobicContact CD1-CZ3 4.42Å; Y1000-W1028 AromaticContact CE1-CH2 3.74Å; Y1000-W1028 HydrophobicContact CE1-CH2 3.74Å; A1001-W1028 HydrophobicContact CB-CD2 4.05Å; A1001-W1028 HydrophobicContact CB-CG 4.4Å; A1001-W1028 HydrophobicContact CB-CZ2 4.31Å; V1004-W1028 HydrophobicContact CB-CZ3 3.97Å; V1004-W1028 HydrophobicContact CG1-CE3 4.49Å; V1004-W1028 HydrophobicContact CG1-CZ3 3.98Å; V1004-W1028 HydrophobicContact CG2-CH2 4.24Å; V1004-W1028 HydrophobicContact CG2-CZ3 3.9Å; A1024-W1028 WeakPolarHBondContact O-CB 3.39Å; A1024-W1028 PolarHBondContact O-N 2.84Å; V1025-W1028 WeakPolarHBondContact O-CB 3.24Å; V1025-W1028 PolarHBondContact O-N 2.81Å; G1026-W1028 VanDerWaalsContact C-N 3.25Å; G1026-W1028 PolarHBondContact O-N 3.11Å; W1028-C1030 PolarHBondContact O-N 3.22Å; W1028-F1031 WeakPolarHBondContact O-CB 3.47Å; W1028-F1031 PolarHBondContact O-N 3.13Å; W1028-I1032 WeakPolarHBondContact O-CG1 3.43Å; W1028-I1032 PolarHBondContact O-N 3.44Å
1029	W	76.2	Confident	65.6	Low	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-38.2	177.1	-74.2	120.4	0	0	0	113.2	F998 A1001 H1005 V1025 G1026 F1031 I1032 C1033 R1050 L1051	F998-W1029 HydrophobicContact CD2-CH2 4.26Å; F998-W1029 AromaticContact CD2-CZ3 3.74Å; F998-W1029 HydrophobicContact CD2-CZ3 3.74Å; F998-W1029 HydrophobicContact CE1-CH2 4.35Å; F998-W1029 AromaticContact CE2-CH2 3.96Å; F998-W1029 HydrophobicContact CE2-CH2 3.96Å; F998-W1029 AromaticContact CE2-CZ3 3.46Å; F998-W1029 HydrophobicContact CE2-CZ3 3.46Å; F998-W1029 VanDerWaalsContact CE2-CZ3 3.46Å; F998-W1029 HydrophobicContact CG-CZ3 4.42Å; F998-W1029 AromaticContact CZ-CH2 3.95Å; F998-W1029 HydrophobicContact CZ-CH2 3.95Å; F998-W1029 AromaticContact CZ-CZ3 3.89Å; F998-W1029 HydrophobicContact CZ-CZ3 3.89Å; A1001-W1029 HydrophobicContact CB-CH2 3.89Å; A1001-W1029 HydrophobicContact CB-CZ2 3.92Å; A1001-W1029 HydrophobicContact CB-CZ3 4.3Å; H1005-W1029 HydrophobicContact CB-CZ2 4.33Å; H1005-W1029 AromaticContact CG-NE1 3.76Å; H1005-W1029 AromaticContact ND1-CD1 3.96Å; H1005-W1029 AromaticContact ND1-NE1 3.3Å; H1005-W1029 PolarHBondContact ND1-NE1 2.94Å; V1025-W1029 PolarHBondContact O-N 3.06Å; G1026-W1029 PolarHBondContact O-N 3.02Å; W1029-F1031 VanDerWaalsContact C-N 3.32Å; W1029-F1031 PolarHBondContact O-N 3.22Å; W1029-I1032 HydrophobicContact CE3-CB 4.31Å; W1029-I1032 HydrophobicContact CE3-CD1 3.8Å; W1029-I1032 HydrophobicContact CE3-CG2 4.41Å; W1029-I1032 HydrophobicContact CZ3-CD1 3.77Å; W1029-I1032 HydrophobicContact CZ3-CG2 4.4Å; W1029-I1032 PolarHBondContact O-N 3.22Å; W1029-C1033 WeakPolarHBondContact O-CB 3.43Å; W1029-C1033 PolarHBondContact O-N 3.41Å; W1029-C1033 PolarHBondContact O-SG 2.73Å; W1029-R1050 HydrophobicContact CD2-CB 3.9Å; W1029-R1050 VanDerWaalsContact CE2-CB 3.5Å; W1029-R1050 HydrophobicContact CG-CB 4.26Å; W1029-R1050 HydrophobicContact CH2-CB 4.43Å; W1029-R1050 HydrophobicContact CH2-CG 4.21Å; W1029-R1050 HydrophobicContact CZ2-CB 3.79Å; W1029-R1050 HydrophobicContact CZ2-CG 3.78Å; W1029-L1051 HydrophobicContact CB-CB 4.08Å; W1029-L1051 HydrophobicContact CB-CD1 4.24Å
1030	C	70.7	Confident	64.5	Low	5 Å²	5	36.6 Å²	36.6	3%	0.034	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-43.9	171.6	-74.7	0	0	0	0	111.7	G1026 Q1027 W1028 C1033 S1034 D1072	G1026-C1030 PolarHBondContact O-N 3.13Å; Q1027-C1030 PolarHBondContact O-N 3.36Å; W1028-C1030 PolarHBondContact O-N 3.22Å; C1030-C1033 PolarHBondContact O-N 2.83Å; C1030-S1034 PolarHBondContact O-N 2.96Å; C1030-D1072 HydrophobicContact CB-CB 4.2Å
1031	F	66.1	Low	63.8	Low	28 Å²	28	35 Å²	35	12%	0.123	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-46.4	176	177.6	-89.2	0	0	0	112.2	F977 K981 Q1027 W1028 W1029 C1033 S1034 T1035	F977-F1031 HydrophobicContact CE1-CB 4.23Å; F977-F1031 AromaticContact CE1-CD1 3.94Å; F977-F1031 HydrophobicContact CE1-CD1 3.94Å; F977-F1031 HydrophobicContact CE1-CE1 4.48Å; F977-F1031 HydrophobicContact CE1-CG 4.11Å; F977-F1031 HydrophobicContact CE2-CD1 4.14Å; F977-F1031 HydrophobicContact CE2-CE1 4.21Å; F977-F1031 HydrophobicContact CZ-CB 4.23Å; F977-F1031 AromaticContact CZ-CD1 3.24Å; F977-F1031 HydrophobicContact CZ-CD1 3.24Å; F977-F1031 AromaticContact CZ-CE1 3.68Å; F977-F1031 HydrophobicContact CZ-CE1 3.68Å; F977-F1031 AromaticContact CZ-CG 3.88Å; F977-F1031 HydrophobicContact CZ-CG 3.88Å; K981-F1031 HydrophobicContact CB-CE2 4.06Å; K981-F1031 HydrophobicContact CB-CZ 4.21Å; K981-F1031 HydrophobicContact CD-CD2 3.77Å; K981-F1031 HydrophobicContact CD-CE2 3.87Å; K981-F1031 HydrophobicContact CG-CD2 4.01Å; K981-F1031 HydrophobicContact CG-CE2 3.54Å; K981-F1031 HydrophobicContact CG-CZ 4.18Å; Q1027-F1031 PolarHBondContact O-N 3.4Å; W1028-F1031 WeakPolarHBondContact O-CB 3.47Å; W1028-F1031 PolarHBondContact O-N 3.13Å; W1029-F1031 VanDerWaalsContact C-N 3.32Å; W1029-F1031 PolarHBondContact O-N 3.22Å; F1031-C1033 VanDerWaalsContact C-N 3.3Å; F1031-C1033 PolarHBondContact O-N 3.23Å; F1031-S1034 PolarHBondContact O-N 3.05Å; F1031-S1034 VanDerWaalsContact O-N 3.08Å; F1031-S1034 PolarHBondContact O-OG 3.42Å; F1031-T1035 WeakPolarHBondContact CE1-OG1 3.43Å; F1031-T1035 WeakPolarHBondContact CZ-OG1 3.28Å; F1031-T1035 WeakPolarHBondContact O-CB 3.46Å; F1031-T1035 PolarHBondContact O-N 2.74Å; F1031-T1035 PolarHBondContact O-OG1 3.16Å
1032	I	63.9	Low	63.1	Low	6 Å²	6	41.9 Å²	41.9	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-44.1	177.5	-67.9	173.5	0	0	0	110.2	F998 A1001 W1028 W1029 S1034 T1035 V1036 S1047	F998-I1032 HydrophobicContact CD2-CG2 4.11Å; A1001-I1032 HydrophobicContact CB-CD1 3.65Å; W1028-I1032 WeakPolarHBondContact O-CG1 3.43Å; W1028-I1032 PolarHBondContact O-N 3.44Å; W1029-I1032 HydrophobicContact CE3-CB 4.31Å; W1029-I1032 HydrophobicContact CE3-CD1 3.8Å; W1029-I1032 HydrophobicContact CE3-CG2 4.41Å; W1029-I1032 HydrophobicContact CZ3-CD1 3.77Å; W1029-I1032 HydrophobicContact CZ3-CG2 4.4Å; W1029-I1032 PolarHBondContact O-N 3.22Å; I1032-S1034 VanDerWaalsContact C-N 3.3Å; I1032-S1034 PolarHBondContact O-N 3.24Å; I1032-T1035 PolarHBondContact O-N 2.91Å; I1032-V1036 HydrophobicContact CG2-CB 4.4Å; I1032-V1036 HydrophobicContact CG2-CG2 3.82Å; I1032-V1036 WeakPolarHBondContact O-CB 3.02Å; I1032-V1036 WeakPolarHBondContact O-CG2 3.05Å; I1032-V1036 PolarHBondContact O-N 3.48Å; I1032-S1047 WeakPolarHBondContact CG2-OG 3.28Å
1033	C	65.3	Low	62.2	Low	2 Å²	2	42.2 Å²	42.2	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-45.3	174.3	-68.1	0	0	0	0	111.3	W1029 C1030 F1031 T1035 C1037 L1044 S1047 F1076	W1029-C1033 WeakPolarHBondContact O-CB 3.43Å; W1029-C1033 PolarHBondContact O-N 3.41Å; W1029-C1033 PolarHBondContact O-SG 2.73Å; C1030-C1033 PolarHBondContact O-N 2.83Å; F1031-C1033 VanDerWaalsContact C-N 3.3Å; F1031-C1033 PolarHBondContact O-N 3.23Å; C1033-T1035 VanDerWaalsContact C-N 3.29Å; C1033-T1035 PolarHBondContact O-N 2.71Å; C1033-C1037 PolarHBondContact O-SG 3.44Å; C1033-L1044 HydrophobicContact CB-CD1 3.97Å; C1033-S1047 WeakPolarHBondContact SG-CB 3.43Å; C1033-F1076 HydrophobicContact CB-CD1 4.3Å; C1033-F1076 HydrophobicContact CB-CD2 4.47Å; C1033-F1076 HydrophobicContact CB-CE1 4.12Å; C1033-F1076 HydrophobicContact CB-CE2 4.29Å; C1033-F1076 HydrophobicContact CB-CG 4.45Å; C1033-F1076 HydrophobicContact CB-CZ 4.1Å; C1033-F1076 WeakPolarHBondContact O-CE2 3.04Å
1034	S	59.6	Low	61.7	Low	29 Å²	29	41.2 Å²	41.2	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-66.9	-26.8	179.8	75.7	0	0	0	0	115.1	C1030 F1031 I1032 N1081	C1030-S1034 PolarHBondContact O-N 2.96Å; F1031-S1034 PolarHBondContact O-N 3.05Å; F1031-S1034 VanDerWaalsContact O-N 3.08Å; F1031-S1034 PolarHBondContact O-OG 3.42Å; I1032-S1034 VanDerWaalsContact C-N 3.3Å; I1032-S1034 PolarHBondContact O-N 3.24Å; S1034-N1081 PolarHBondContact O-ND2 3.1Å
1035	T	56	Low	61.3	Low	38 Å²	38	43.8 Å²	43.8	23%	0.233	21%	0.209	C	C	.	.	H	α-helix	trans	-100.1	-38.8	-171.6	-47.2	0	0	0	0	112.4	F1031 I1032 C1033	F1031-T1035 WeakPolarHBondContact CE1-OG1 3.43Å; F1031-T1035 WeakPolarHBondContact CZ-OG1 3.28Å; F1031-T1035 WeakPolarHBondContact O-CB 3.46Å; F1031-T1035 PolarHBondContact O-N 2.74Å; F1031-T1035 PolarHBondContact O-OG1 3.16Å; I1032-T1035 PolarHBondContact O-N 2.91Å; C1033-T1035 VanDerWaalsContact C-N 3.29Å; C1033-T1035 PolarHBondContact O-N 2.71Å
1036	V	55.3	Low	60.7	Low	19 Å²	19	45.4 Å²	45.4	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-87.1	-6.8	-171.7	-177.4	0	0	0	0	113.1	P994 I1032 H1038 H1039 L1043	P994-V1036 HydrophobicContact CB-CG2 4.08Å; I1032-V1036 HydrophobicContact CG2-CB 4.4Å; I1032-V1036 HydrophobicContact CG2-CG2 3.82Å; I1032-V1036 WeakPolarHBondContact O-CB 3.02Å; I1032-V1036 WeakPolarHBondContact O-CG2 3.05Å; I1032-V1036 PolarHBondContact O-N 3.48Å; V1036-H1038 PolarHBondContact O-N 2.9Å; V1036-H1039 PolarHBondContact O-N 2.89Å; V1036-L1043 HydrophobicContact CG1-CB 3.79Å; V1036-L1043 HydrophobicContact CG1-CD1 3.74Å; V1036-L1043 HydrophobicContact CG1-CG 4.43Å
1037	C	49.3	Very low	60.5	Low	14 Å²	14	45.4 Å²	45.4	10%	0.095	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-25.7	-175.8	-97.2	0	0	0	0	116.1	C1033 H1039 L1044 F1076 N1081	C1033-C1037 PolarHBondContact O-SG 3.44Å; C1037-H1039 PolarHBondContact O-N 3.4Å; C1037-L1044 VanDerWaalsContact SG-CD1 3.54Å; C1037-F1076 WeakPolarHBondContact SG-CE2 3.48Å; C1037-F1076 VanDerWaalsContact SG-CZ 3.58Å; C1037-N1081 HydrophobicContact CB-CB 4.23Å
1038	H	46.7	Very low	60.4	Low	115 Å²	115	42 Å²	42	53%	0.532	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-23.2	-173.8	-88.7	-21.2	0	0	0	115.5	V1036 N1081	V1036-H1038 PolarHBondContact O-N 2.9Å; H1038-N1081 PolarHBondContact NE2-OD1 3.19Å
1039	H	47	Very low	60.1	Low	132 Å²	132	49.1 Å²	49.1	61%	0.611	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-19	-164.2	-64.7	-50.4	0	0	0	117.1	V1036 C1037	V1036-H1039 PolarHBondContact O-N 2.89Å; C1037-H1039 PolarHBondContact O-N 3.4Å
1040	R	47	Very low	60.1	Low	128 Å²	128	51.4 Å²	51.4	48%	0.483	24%	0.239	S	C	.	.			trans	-146.5	94.6	-174.8	-64.7	-175.1	178.8	176.8	0.4	112.7	D995 F1042 L1043 L1044	D995-R1040 IonicContact OD1-NH1 3.68Å; D995-R1040 PolarHBondContact OD1-NH1 3.4Å; D995-R1040 IonicContact OD2-CZ 2.76Å; D995-R1040 IonicContact OD2-NH1 2.86Å; D995-R1040 PolarHBondContact OD2-NH1 3.1Å; R1040-F1042 PolarHBondContact O-N 3.4Å; R1040-F1042 VanDerWaalsContact O-N 3.14Å; R1040-L1043 HydrophobicContact CB-CB 4.19Å; R1040-L1043 HydrophobicContact CB-CD1 3.91Å; R1040-L1043 HydrophobicContact CB-CG 3.93Å; R1040-L1043 HydrophobicContact CG-CD1 4.33Å; R1040-L1043 PolarHBondContact O-N 2.82Å; R1040-L1044 PolarHBondContact O-N 2.88Å
1041	L	53.1	Low	60.3	Low	71 Å²	71	51.3 Å²	51.3	37%	0.372	24%	0.238	S	C	.	.	H	α-helix	trans	-51.1	-37.9	177.7	-177.7	66.6	0	0	0	113	L1043 L1044 L1045 L1092	L1041-L1043 PolarHBondContact O-N 3.27Å; L1041-L1044 PolarHBondContact O-N 3.43Å; L1041-L1045 HydrophobicContact CG-CD1 4.17Å; L1041-L1045 PolarHBondContact O-N 3.21Å; L1041-L1092 HydrophobicContact CD1-CD1 3.89Å; L1041-L1092 HydrophobicContact CD1-CD2 4.07Å
1042	F	53.7	Low	60.3	Low	155 Å²	155	54.6 Å²	54.6	68%	0.68	25%	0.25	S	S	*	.	H	α-helix	trans	-60.8	-42.5	178	178.7	-98.3	0	0	0	113	R1040 L1045 T1046	R1040-F1042 PolarHBondContact O-N 3.4Å; R1040-F1042 VanDerWaalsContact O-N 3.14Å; F1042-L1045 PolarHBondContact O-N 3.13Å; F1042-T1046 WeakPolarHBondContact O-CB 3.42Å; F1042-T1046 PolarHBondContact O-N 3.15Å; F1042-T1046 PolarHBondContact O-OG1 3.36Å
1043	L	56.9	Low	60.7	Low	13 Å²	13	56.8 Å²	56.8	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-37.4	178.6	-66.2	-178.1	0	0	0	111.3	F998 V1036 R1040 L1041 T1046 S1047	F998-L1043 HydrophobicContact CD1-CD2 4.1Å; F998-L1043 HydrophobicContact CD2-CB 4.37Å; F998-L1043 HydrophobicContact CD2-CD2 3.98Å; F998-L1043 HydrophobicContact CE1-CD2 4.31Å; F998-L1043 HydrophobicContact CE2-CB 4.34Å; F998-L1043 HydrophobicContact CE2-CD2 4.16Å; F998-L1043 WeakPolarHBondContact CE2-O 3.48Å; F998-L1043 HydrophobicContact CG-CD2 3.99Å; F998-L1043 HydrophobicContact CZ-CD2 4.37Å; V1036-L1043 HydrophobicContact CG1-CB 3.79Å; V1036-L1043 HydrophobicContact CG1-CD1 3.74Å; V1036-L1043 HydrophobicContact CG1-CG 4.43Å; R1040-L1043 HydrophobicContact CB-CB 4.19Å; R1040-L1043 HydrophobicContact CB-CD1 3.91Å; R1040-L1043 HydrophobicContact CB-CG 3.93Å; R1040-L1043 HydrophobicContact CG-CD1 4.33Å; R1040-L1043 PolarHBondContact O-N 2.82Å; L1041-L1043 PolarHBondContact O-N 3.27Å; L1043-T1046 PolarHBondContact O-N 3.17Å; L1043-S1047 WeakPolarHBondContact O-CB 3.15Å; L1043-S1047 PolarHBondContact O-N 3.47Å; L1043-S1047 PolarHBondContact O-OG 3.41Å
1044	L	62.7	Low	61.1	Low	4 Å²	4	56.7 Å²	56.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-49.1	174.5	176.8	65.3	0	0	0	111.5	C1033 C1037 R1040 L1041 T1046 S1047 L1048 F1076 L1085 L1092	C1033-L1044 HydrophobicContact CB-CD1 3.97Å; C1037-L1044 VanDerWaalsContact SG-CD1 3.54Å; R1040-L1044 PolarHBondContact O-N 2.88Å; L1041-L1044 PolarHBondContact O-N 3.43Å; L1044-T1046 VanDerWaalsContact C-N 3.31Å; L1044-T1046 PolarHBondContact O-N 3.12Å; L1044-S1047 WeakPolarHBondContact O-CB 3.48Å; L1044-S1047 PolarHBondContact O-N 3.48Å; L1044-L1048 HydrophobicContact CD1-CD1 4.17Å; L1044-L1048 HydrophobicContact CD1-CG 4.2Å; L1044-L1048 HydrophobicContact CG-CD1 4.03Å; L1044-L1048 HydrophobicContact CG-CG 4.46Å; L1044-L1048 WeakPolarHBondContact O-CG 3.36Å; L1044-L1048 PolarHBondContact O-N 2.91Å; L1044-F1076 HydrophobicContact CD1-CZ 4.04Å; L1044-L1085 HydrophobicContact CD2-CD1 3.58Å; L1044-L1085 HydrophobicContact CD2-CD2 4.13Å; L1044-L1085 HydrophobicContact CD2-CG 4.42Å; L1044-L1092 HydrophobicContact CD2-CD2 4.02Å
1045	L	61.4	Low	61.6	Low	70 Å²	70	55.9 Å²	55.9	37%	0.366	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-43.7	178.8	-80.4	170.5	0	0	0	111.7	L1041 F1042 L1048 R1049 L1092	L1041-L1045 HydrophobicContact CG-CD1 4.17Å; L1041-L1045 PolarHBondContact O-N 3.21Å; F1042-L1045 PolarHBondContact O-N 3.13Å; L1045-L1048 PolarHBondContact O-N 2.93Å; L1045-R1049 WeakPolarHBondContact O-CB 3.11Å; L1045-R1049 PolarHBondContact O-N 2.88Å; L1045-L1092 HydrophobicContact CD1-CD1 4.46Å; L1045-L1092 HydrophobicContact CD2-CD1 3.78Å; L1045-L1092 HydrophobicContact CD2-CG 4.37Å; L1045-L1092 HydrophobicContact CG-CD1 4.28Å
1046	T	63.8	Low	62	Low	36 Å²	36	56.9 Å²	56.9	22%	0.221	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-39.8	178.2	-48.4	0	0	0	0	111	F998 F1042 L1043 L1044 R1049 R1050	F998-T1046 HydrophobicContact CE1-CG2 4.01Å; F998-T1046 HydrophobicContact CZ-CG2 3.46Å; F998-T1046 VanDerWaalsContact CZ-CG2 3.46Å; F1042-T1046 WeakPolarHBondContact O-CB 3.42Å; F1042-T1046 PolarHBondContact O-N 3.15Å; F1042-T1046 PolarHBondContact O-OG1 3.36Å; L1043-T1046 PolarHBondContact O-N 3.17Å; L1044-T1046 VanDerWaalsContact C-N 3.31Å; L1044-T1046 PolarHBondContact O-N 3.12Å; T1046-R1049 PolarHBondContact O-N 3.4Å; T1046-R1050 WeakPolarHBondContact O-CG 3.42Å; T1046-R1050 PolarHBondContact O-N 3.47Å
1047	S	70.5	Confident	62.6	Low	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-45.7	174.1	-54.9	0	0	0	0	112	F998 I1032 C1033 L1043 L1044 R1049 R1050 L1051	F998-S1047 VanDerWaalsContact CE2-OG 3.31Å; F998-S1047 WeakPolarHBondContact CE2-OG 3.09Å; I1032-S1047 WeakPolarHBondContact CG2-OG 3.28Å; C1033-S1047 WeakPolarHBondContact SG-CB 3.43Å; L1043-S1047 WeakPolarHBondContact O-CB 3.15Å; L1043-S1047 PolarHBondContact O-N 3.47Å; L1043-S1047 PolarHBondContact O-OG 3.41Å; L1044-S1047 WeakPolarHBondContact O-CB 3.48Å; L1044-S1047 PolarHBondContact O-N 3.48Å; S1047-R1049 VanDerWaalsContact C-N 3.33Å; S1047-R1049 PolarHBondContact O-N 2.88Å; S1047-R1050 PolarHBondContact O-N 3.43Å; S1047-L1051 WeakPolarHBondContact O-CB 3.31Å; S1047-L1051 PolarHBondContact O-N 2.98Å
1048	L	69.7	Low	63	Low	2 Å²	2	65 Å²	65	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-38.3	178.3	-74.2	172.2	0	0	0	111.7	L1044 L1045 L1051 Y1052 M1073 V1096	L1044-L1048 HydrophobicContact CD1-CD1 4.17Å; L1044-L1048 HydrophobicContact CD1-CG 4.2Å; L1044-L1048 HydrophobicContact CG-CD1 4.03Å; L1044-L1048 HydrophobicContact CG-CG 4.46Å; L1044-L1048 WeakPolarHBondContact O-CG 3.36Å; L1044-L1048 PolarHBondContact O-N 2.91Å; L1045-L1048 PolarHBondContact O-N 2.93Å; L1048-L1051 PolarHBondContact O-N 3.26Å; L1048-Y1052 WeakPolarHBondContact O-CB 3.35Å; L1048-Y1052 PolarHBondContact O-N 3.1Å; L1048-M1073 HydrophobicContact CD2-CE 4.06Å; L1048-V1096 HydrophobicContact CD1-CG2 4.29Å
1049	R	68.4	Low	63.6	Low	165 Å²	165	62.6 Å²	62.6	62%	0.623	29%	0.293	S	S	*	.	H	α-helix	trans	-64.2	-46.5	174.4	-178	-179.9	173	165.6	4.8	111.5	L1045 T1046 S1047 L1051 Y1052 E1053	L1045-R1049 WeakPolarHBondContact O-CB 3.11Å; L1045-R1049 PolarHBondContact O-N 2.88Å; T1046-R1049 PolarHBondContact O-N 3.4Å; S1047-R1049 VanDerWaalsContact C-N 3.33Å; S1047-R1049 PolarHBondContact O-N 2.88Å; R1049-L1051 VanDerWaalsContact C-N 3.33Å; R1049-L1051 PolarHBondContact O-N 3.26Å; R1049-Y1052 WeakPolarHBondContact O-CB 3.29Å; R1049-Y1052 PolarHBondContact O-N 3.33Å; R1049-E1053 IonicContact NE-OE1 2.69Å; R1049-E1053 PolarHBondContact NE-OE1 3.25Å; R1049-E1053 WeakPolarHBondContact O-CG 3.1Å; R1049-E1053 PolarHBondContact O-N 3.36Å
1050	R	74.6	Confident	64.1	Low	48 Å²	48	61.9 Å²	61.9	18%	0.181	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-38.5	176.1	-68	-51.5	-161.7	152.7	13.4	111.9	T1002 H1005 D1006 W1029 T1046 S1047 Y1052 E1053 V1054	T1002-R1050 VanDerWaalsContact CG2-NH2 3.34Å; H1005-R1050 PolarHBondContact CD2-NH1 2.81Å; H1005-R1050 PolarHBondContact CE1-O 3.14Å; H1005-R1050 VanDerWaalsContact CE1-O 3.23Å; H1005-R1050 PolarHBondContact NE2-NH1 2.92Å; D1006-R1050 IonicContact OD1-CZ 3.82Å; D1006-R1050 VanDerWaalsContact OD1-CZ 3.32Å; D1006-R1050 IonicContact OD1-NH1 2.7Å; D1006-R1050 PolarHBondContact OD1-NH1 3.5Å; D1006-R1050 VanDerWaalsContact OD1-NH1 3.1Å; D1006-R1050 IonicContact OD1-NH2 3.62Å; D1006-R1050 PolarHBondContact OD1-NH2 2.66Å; D1006-R1050 IonicContact OD2-NH2 2.61Å; W1029-R1050 HydrophobicContact CD2-CB 3.9Å; W1029-R1050 VanDerWaalsContact CE2-CB 3.5Å; W1029-R1050 HydrophobicContact CG-CB 4.26Å; W1029-R1050 HydrophobicContact CH2-CB 4.43Å; W1029-R1050 HydrophobicContact CH2-CG 4.21Å; W1029-R1050 HydrophobicContact CZ2-CB 3.79Å; W1029-R1050 HydrophobicContact CZ2-CG 3.78Å; T1046-R1050 WeakPolarHBondContact O-CG 3.42Å; T1046-R1050 PolarHBondContact O-N 3.47Å; S1047-R1050 PolarHBondContact O-N 3.43Å; R1050-Y1052 VanDerWaalsContact C-N 3.35Å; R1050-E1053 WeakPolarHBondContact CD-OE2 3.33Å; R1050-E1053 IonicContact CZ-OE2 3.54Å; R1050-E1053 IonicContact NE-OE2 3.52Å; R1050-E1053 IonicContact NH1-OE2 2.7Å; R1050-E1053 PolarHBondContact NH1-OE2 3.29Å; R1050-E1053 PolarHBondContact O-N 2.63Å; R1050-V1054 WeakPolarHBondContact O-CG2 3.46Å; R1050-V1054 PolarHBondContact O-N 2.76Å
1051	L	74.6	Confident	64.9	Low	2 Å²	2	56.4 Å²	56.4	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-43.6	172.6	-177.8	63.2	0	0	0	111.6	W1029 S1047 L1048 R1049 E1053 V1054 V1055 L1069 M1073	W1029-L1051 HydrophobicContact CB-CB 4.08Å; W1029-L1051 HydrophobicContact CB-CD1 4.24Å; S1047-L1051 WeakPolarHBondContact O-CB 3.31Å; S1047-L1051 PolarHBondContact O-N 2.98Å; L1048-L1051 PolarHBondContact O-N 3.26Å; R1049-L1051 VanDerWaalsContact C-N 3.33Å; R1049-L1051 PolarHBondContact O-N 3.26Å; L1051-E1053 PolarHBondContact O-N 2.95Å; L1051-V1054 PolarHBondContact O-N 3.34Å; L1051-V1055 VanDerWaalsContact O-CG2 3.27Å; L1051-V1055 WeakPolarHBondContact O-CG2 3.36Å; L1051-V1055 PolarHBondContact O-N 3.48Å; L1051-L1069 HydrophobicContact CD1-CD2 4.33Å; L1051-M1073 HydrophobicContact CD2-CE 4.31Å; L1051-M1073 HydrophobicContact CD2-SD 3.69Å
1052	Y	67.5	Low	65.4	Low	98 Å²	98	56.8 Å²	56.8	38%	0.384	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-43.6	174.9	179.8	-94.4	0	0	0	112	L1048 R1049 R1050 V1054 V1055 T1056 L1099 L1102	L1048-Y1052 WeakPolarHBondContact O-CB 3.35Å; L1048-Y1052 PolarHBondContact O-N 3.1Å; R1049-Y1052 WeakPolarHBondContact O-CB 3.29Å; R1049-Y1052 PolarHBondContact O-N 3.33Å; R1050-Y1052 VanDerWaalsContact C-N 3.35Å; Y1052-V1054 VanDerWaalsContact C-N 3.32Å; Y1052-V1054 PolarHBondContact O-N 2.85Å; Y1052-V1055 PolarHBondContact O-N 2.9Å; Y1052-V1055 VanDerWaalsContact O-N 3.16Å; Y1052-T1056 HydrophobicContact CD1-CG2 4.19Å; Y1052-T1056 HydrophobicContact CD2-CG2 3.97Å; Y1052-T1056 HydrophobicContact CE1-CG2 3.82Å; Y1052-T1056 HydrophobicContact CE2-CG2 3.58Å; Y1052-T1056 HydrophobicContact CG-CG2 4.26Å; Y1052-T1056 VanDerWaalsContact CZ-CG2 3.5Å; Y1052-T1056 WeakPolarHBondContact O-CB 3.33Å; Y1052-T1056 WeakPolarHBondContact O-CG2 3.3Å; Y1052-T1056 PolarHBondContact O-N 2.98Å; Y1052-T1056 PolarHBondContact O-OG1 3.39Å; Y1052-L1099 HydrophobicContact CD2-CD2 4.05Å; Y1052-L1099 HydrophobicContact CD2-CG 4.17Å; Y1052-L1102 HydrophobicContact CD2-CD2 4.4Å; Y1052-L1102 HydrophobicContact CE2-CD2 3.9Å
1053	E	71.9	Confident	65.7	Low	51 Å²	51	50.2 Å²	50.2	24%	0.238	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-40.9	175.2	-73	167.2	-166.4	0	0	111.8	H1005 M1009 R1049 R1050 L1051 S1057	H1005-E1053 IonicContact NE2-OE2 2.75Å; H1005-E1053 PolarHBondContact NE2-OE2 3.11Å; M1009-E1053 WeakPolarHBondContact CE-O 3.26Å; R1049-E1053 IonicContact NE-OE1 2.69Å; R1049-E1053 PolarHBondContact NE-OE1 3.25Å; R1049-E1053 WeakPolarHBondContact O-CG 3.1Å; R1049-E1053 PolarHBondContact O-N 3.36Å; R1050-E1053 WeakPolarHBondContact CD-OE2 3.33Å; R1050-E1053 IonicContact CZ-OE2 3.54Å; R1050-E1053 IonicContact NE-OE2 3.52Å; R1050-E1053 IonicContact NH1-OE2 2.7Å; R1050-E1053 PolarHBondContact NH1-OE2 3.29Å; R1050-E1053 PolarHBondContact O-N 2.63Å; L1051-E1053 PolarHBondContact O-N 2.95Å; E1053-S1057 PolarHBondContact O-N 2.89Å
1054	V	74.5	Confident	66.2	Low	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-46.5	174.2	174.3	0	0	0	0	110.9	H1005 M1009 R1022 V1025 R1050 L1051 Y1052 F1061	H1005-V1054 VanDerWaalsContact CE1-CG2 3.46Å; H1005-V1054 WeakPolarHBondContact CE1-CG2 3.44Å; H1005-V1054 WeakPolarHBondContact ND1-CG2 3.42Å; M1009-V1054 HydrophobicContact SD-CG2 4.33Å; R1022-V1054 PolarHBondContact NH2-O 2.87Å; R1022-V1054 WeakPolarHBondContact O-CG1 3.5Å; V1025-V1054 HydrophobicContact CG1-CG2 3.96Å; R1050-V1054 WeakPolarHBondContact O-CG2 3.46Å; R1050-V1054 PolarHBondContact O-N 2.76Å; L1051-V1054 PolarHBondContact O-N 3.34Å; Y1052-V1054 VanDerWaalsContact C-N 3.32Å; Y1052-V1054 PolarHBondContact O-N 2.85Å; V1054-F1061 HydrophobicContact CG1-CE2 3.9Å; V1054-F1061 HydrophobicContact CG1-CZ 3.59Å; V1054-F1061 WeakPolarHBondContact O-CE2 3.45Å
1055	V	69.9	Low	66.3	Low	13 Å²	13	60.6 Å²	60.6	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-72.9	-29.2	-174.7	176.5	0	0	0	0	112.9	L1051 Y1052 L1066 F1103	L1051-V1055 VanDerWaalsContact O-CG2 3.27Å; L1051-V1055 WeakPolarHBondContact O-CG2 3.36Å; L1051-V1055 PolarHBondContact O-N 3.48Å; Y1052-V1055 PolarHBondContact O-N 2.9Å; Y1052-V1055 VanDerWaalsContact O-N 3.16Å; V1055-L1066 HydrophobicContact CG1-CD2 4.4Å; V1055-F1103 HydrophobicContact CG1-CE1 3.92Å; V1055-F1103 HydrophobicContact CG1-CZ 4.12Å; V1055-F1103 HydrophobicContact CG2-CE1 3.94Å; V1055-F1103 HydrophobicContact CG2-CZ 3.66Å
1056	T	64.2	Low	66.4	Low	59 Å²	59	58.7 Å²	58.7	36%	0.362	29%	0.293	S	S	.	.	H	α-helix	trans	-102	4.3	-174.7	55.6	0	0	0	0	115	Y1052 L1102	Y1052-T1056 HydrophobicContact CD1-CG2 4.19Å; Y1052-T1056 HydrophobicContact CD2-CG2 3.97Å; Y1052-T1056 HydrophobicContact CE1-CG2 3.82Å; Y1052-T1056 HydrophobicContact CE2-CG2 3.58Å; Y1052-T1056 HydrophobicContact CG-CG2 4.26Å; Y1052-T1056 VanDerWaalsContact CZ-CG2 3.5Å; Y1052-T1056 WeakPolarHBondContact O-CB 3.33Å; Y1052-T1056 WeakPolarHBondContact O-CG2 3.3Å; Y1052-T1056 PolarHBondContact O-N 2.98Å; Y1052-T1056 PolarHBondContact O-OG1 3.39Å; T1056-L1102 HydrophobicContact CG2-CD2 3.93Å
1057	S	67.8	Low	66.3	Low	27 Å²	27	60.2 Å²	60.2	19%	0.189	30%	0.299	C	S	.	.	S	Bend	trans	-61.7	150.2	174	127.9	0	0	0	0	111.4	R1022 E1053 E1059	R1022-S1057 PolarHBondContact NH1-OG 3.46Å; R1022-S1057 PolarHBondContact NH2-OG 2.92Å; E1053-S1057 PolarHBondContact O-N 2.89Å; S1057-E1059 PolarHBondContact O-N 2.87Å
1058	D	56.2	Low	66.2	Low	177 Å²	177	63.8 Å²	63.8	95%	0.947	32%	0.318	S	S	*	.	S	Bend	trans	-53.9	-15.4	-171.1	-64.3	-34.5	0	0	0	116.1
1059	E	60.1	Low	66.1	Low	64 Å²	64	63.7 Å²	63.7	30%	0.299	32%	0.318	S	S	.	.	S	Bend	trans	-101.5	123.4	176.7	-83.7	172.1	-174.8	0	0	111	S1013 R1018 R1022 S1057 F1061	S1013-E1059 WeakPolarHBondContact CB-OE1 3.47Å; R1018-E1059 IonicContact CZ-OE2 2.94Å; R1018-E1059 IonicContact NH1-OE1 3.97Å; R1018-E1059 PolarHBondContact NH1-OE1 3.21Å; R1018-E1059 IonicContact NH1-OE2 2.63Å; R1018-E1059 PolarHBondContact NH1-OE2 3.41Å; R1018-E1059 VanDerWaalsContact NH1-OE2 3.08Å; R1022-E1059 PolarHBondContact NH1-O 3.47Å; R1022-E1059 IonicContact NH1-OE2 3.3Å; R1022-E1059 PolarHBondContact NH2-O 3.12Å; R1022-E1059 VanDerWaalsContact NH2-O 3.17Å; S1057-E1059 PolarHBondContact O-N 2.87Å; E1059-F1061 PolarHBondContact O-N 3.03Å
1060	S	57.3	Low	65.9	Low	116 Å²	116	57.2 Å²	57.2	81%	0.811	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-67.4	125.1	179.7	54.2	0	0	0	0	112
1061	F	64.6	Low	65.5	Low	14 Å²	14	57 Å²	57	6%	0.061	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-59	148.8	160.6	-79.2	-72.4	0	0	0	110.5	R1022 L1023 V1054 E1059 E1065 L1066 L1069	R1022-F1061 HydrophobicContact CB-CE1 4.08Å; R1022-F1061 HydrophobicContact CB-CZ 3.94Å; L1023-F1061 HydrophobicContact CB-CE1 4.33Å; V1054-F1061 HydrophobicContact CG1-CE2 3.9Å; V1054-F1061 HydrophobicContact CG1-CZ 3.59Å; V1054-F1061 WeakPolarHBondContact O-CE2 3.45Å; E1059-F1061 PolarHBondContact O-N 3.03Å; F1061-E1065 HydrophobicContact CB-CB 4.29Å; F1061-E1065 HydrophobicContact CD1-CB 3.82Å; F1061-E1065 HydrophobicContact CG-CB 4.45Å; F1061-L1066 HydrophobicContact CB-CD1 4.1Å; F1061-L1066 HydrophobicContact CB-CD2 4.16Å; F1061-L1066 HydrophobicContact CB-CG 3.64Å; F1061-L1066 HydrophobicContact CD2-CD2 4.33Å; F1061-L1066 HydrophobicContact CG-CG 4.45Å; F1061-L1069 HydrophobicContact CE1-CD1 4.35Å; F1061-L1069 HydrophobicContact CE2-CD1 4.35Å; F1061-L1069 HydrophobicContact CZ-CD1 4.16Å
1062	T	64	Low	65.2	Low	79 Å²	79	58.8 Å²	58.8	49%	0.485	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-69.8	149.5	168.2	63.4	0	0	0	0	110.1	R1064 E1065 L1066	T1062-R1064 PolarHBondContact O-N 2.99Å; T1062-E1065 PolarHBondContact N-OE2 3.05Å; T1062-E1065 WeakPolarHBondContact O-CB 3.31Å; T1062-E1065 PolarHBondContact O-N 3.47Å; T1062-E1065 WeakPolarHBondContact OG1-CG 3.35Å; T1062-E1065 PolarHBondContact OG1-OE2 3.47Å; T1062-L1066 PolarHBondContact O-N 3.26Å; T1062-L1066 VanDerWaalsContact O-N 3.11Å
1063	G	60.1	Low	64.9	Low	16 Å²	16	54.4 Å²	54.4	17%	0.165	30%	0.301	C	S	.	.	H	α-helix	trans	-53.8	-26.8	179.3	0	0	0	0	0	114.4	N1067	G1063-N1067 WeakPolarHBondContact O-CB 3.41Å; G1063-N1067 VanDerWaalsContact O-CG 3.29Å; G1063-N1067 PolarHBondContact O-N 3.05Å; G1063-N1067 VanDerWaalsContact O-N 3.1Å; G1063-N1067 PolarHBondContact O-ND2 2.84Å
1064	R	66.3	Low	64.5	Low	204 Å²	204	54.7 Å²	54.7	77%	0.77	31%	0.306	S	S	*	.	H	α-helix	trans	-68.3	-46.1	174.2	-163.5	-179.4	-145.9	175.2	6.8	112.2	T1062 N1067 D1068	T1062-R1064 PolarHBondContact O-N 2.99Å; R1064-N1067 PolarHBondContact O-N 3.21Å; R1064-D1068 PolarHBondContact O-N 3.3Å
1065	E	64.5	Low	63.9	Low	31 Å²	31	61.1 Å²	61.1	15%	0.145	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-39.7	-179.7	-66.7	168.6	144.9	0	0	111.6	L1023 F1061 T1062 D1068 L1069	L1023-E1065 HydrophobicContact CD1-CB 4.03Å; L1023-E1065 HydrophobicContact CD1-CG 4.45Å; L1023-E1065 HydrophobicContact CD2-CG 4.06Å; F1061-E1065 HydrophobicContact CB-CB 4.29Å; F1061-E1065 HydrophobicContact CD1-CB 3.82Å; F1061-E1065 HydrophobicContact CG-CB 4.45Å; T1062-E1065 PolarHBondContact N-OE2 3.05Å; T1062-E1065 WeakPolarHBondContact O-CB 3.31Å; T1062-E1065 PolarHBondContact O-N 3.47Å; T1062-E1065 WeakPolarHBondContact OG1-CG 3.35Å; T1062-E1065 PolarHBondContact OG1-OE2 3.47Å; E1065-D1068 PolarHBondContact O-N 3.4Å; E1065-L1069 PolarHBondContact O-N 3.28Å
1066	L	64.2	Low	63.5	Low	31 Å²	31	60.6 Å²	60.6	16%	0.162	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-40.4	172.3	-79.3	166.5	0	0	0	112	V1055 F1061 T1062 D1068 A1070 F1103	V1055-L1066 HydrophobicContact CG1-CD2 4.4Å; F1061-L1066 HydrophobicContact CB-CD1 4.1Å; F1061-L1066 HydrophobicContact CB-CD2 4.16Å; F1061-L1066 HydrophobicContact CB-CG 3.64Å; F1061-L1066 HydrophobicContact CD2-CD2 4.33Å; F1061-L1066 HydrophobicContact CG-CG 4.45Å; T1062-L1066 PolarHBondContact O-N 3.26Å; T1062-L1066 VanDerWaalsContact O-N 3.11Å; L1066-D1068 VanDerWaalsContact C-N 3.35Å; L1066-A1070 WeakPolarHBondContact O-CB 3.19Å; L1066-A1070 PolarHBondContact O-N 2.84Å; L1066-F1103 HydrophobicContact CD2-CD1 4.11Å; L1066-F1103 HydrophobicContact CD2-CE1 4.02Å
1067	N	61.4	Low	63	Low	68 Å²	68	59 Å²	59	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-38.4	176.3	-80	-51.8	0	0	0	111.9	G1063 R1064 A1070 A1071 K1107	G1063-N1067 WeakPolarHBondContact O-CB 3.41Å; G1063-N1067 VanDerWaalsContact O-CG 3.29Å; G1063-N1067 PolarHBondContact O-N 3.05Å; G1063-N1067 VanDerWaalsContact O-N 3.1Å; G1063-N1067 PolarHBondContact O-ND2 2.84Å; R1064-N1067 PolarHBondContact O-N 3.21Å; N1067-A1070 PolarHBondContact O-N 3.39Å; N1067-A1071 VanDerWaalsContact O-CB 3.31Å; N1067-A1071 WeakPolarHBondContact O-CB 3.44Å; N1067-A1071 PolarHBondContact O-N 3.34Å; N1067-K1107 PolarHBondContact OD1-NZ 3.38Å
1068	D	68.2	Low	62.4	Low	75 Å²	75	64.8 Å²	64.8	40%	0.401	34%	0.344	S	S	.	.	H	α-helix	trans	-66.6	-46.1	177.4	-72	-17.5	0	0	0	111.6	R1064 E1065 L1066 A1070 A1071 D1072	R1064-D1068 PolarHBondContact O-N 3.3Å; E1065-D1068 PolarHBondContact O-N 3.4Å; L1066-D1068 VanDerWaalsContact C-N 3.35Å; D1068-A1070 PolarHBondContact O-N 3.44Å; D1068-A1071 PolarHBondContact O-N 3.23Å; D1068-D1072 PolarHBondContact O-N 3.11Å; D1068-D1072 VanDerWaalsContact O-N 3.07Å
1069	L	66.7	Low	62.4	Low	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-43.7	174.2	-80.6	162.4	0	0	0	111.9	L1023 Q1027 L1051 F1061 E1065 A1071 D1072 M1073	L1023-L1069 HydrophobicContact CD1-CD1 3.89Å; L1023-L1069 HydrophobicContact CD1-CG 3.84Å; Q1027-L1069 HydrophobicContact CG-CD2 4.3Å; L1051-L1069 HydrophobicContact CD1-CD2 4.33Å; F1061-L1069 HydrophobicContact CE1-CD1 4.35Å; F1061-L1069 HydrophobicContact CE2-CD1 4.35Å; F1061-L1069 HydrophobicContact CZ-CD1 4.16Å; E1065-L1069 PolarHBondContact O-N 3.28Å; L1069-A1071 VanDerWaalsContact C-N 3.35Å; L1069-A1071 PolarHBondContact O-N 2.99Å; L1069-D1072 PolarHBondContact O-N 3.4Å; L1069-M1073 WeakPolarHBondContact O-CB 3.5Å; L1069-M1073 PolarHBondContact O-N 3.28Å
1070	A	64.9	Low	61.9	Low	28 Å²	28	63 Å²	63	23%	0.231	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-40.2	176.9	0	0	0	0	0	111.5	L1066 N1067 D1068 M1073 V1074	L1066-A1070 WeakPolarHBondContact O-CB 3.19Å; L1066-A1070 PolarHBondContact O-N 2.84Å; N1067-A1070 PolarHBondContact O-N 3.39Å; D1068-A1070 PolarHBondContact O-N 3.44Å; A1070-M1073 PolarHBondContact O-N 3.42Å; A1070-V1074 WeakPolarHBondContact O-CB 3.18Å; A1070-V1074 VanDerWaalsContact O-CG2 3.26Å; A1070-V1074 WeakPolarHBondContact O-CG2 3.42Å; A1070-V1074 PolarHBondContact O-N 3.2Å
1071	A	67.5	Low	61.5	Low	45 Å²	45	59.7 Å²	59.7	37%	0.372	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-43	177	0	0	0	0	0	111.9	N1067 D1068 L1069 M1073 V1074 K1075	N1067-A1071 VanDerWaalsContact O-CB 3.31Å; N1067-A1071 WeakPolarHBondContact O-CB 3.44Å; N1067-A1071 PolarHBondContact O-N 3.34Å; D1068-A1071 PolarHBondContact O-N 3.23Å; L1069-A1071 VanDerWaalsContact C-N 3.35Å; L1069-A1071 PolarHBondContact O-N 2.99Å; A1071-M1073 VanDerWaalsContact C-N 3.34Å; A1071-V1074 PolarHBondContact O-N 2.85Å; A1071-K1075 WeakPolarHBondContact O-CG 3.09Å; A1071-K1075 PolarHBondContact O-N 3.47Å
1072	D	66.5	Low	60.7	Low	39 Å²	39	59.2 Å²	59.2	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-34.9	175.5	-80.9	-13.3	0	0	0	112.2	C1030 D1068 L1069 K1075 F1076	C1030-D1072 HydrophobicContact CB-CB 4.2Å; D1068-D1072 PolarHBondContact O-N 3.11Å; D1068-D1072 VanDerWaalsContact O-N 3.07Å; L1069-D1072 PolarHBondContact O-N 3.4Å; D1072-K1075 PolarHBondContact O-N 3.23Å; D1072-K1075 IonicContact OD1-NZ 3.93Å; D1072-F1076 PolarHBondContact O-N 3.35Å
1073	M	62.7	Low	59.9	Low	5 Å²	5	61.6 Å²	61.6	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-70.6	-36.3	174.6	-165.2	152.5	176.8	0	0	112.3	L1048 L1051 L1069 A1070 A1071 F1076 L1077 L1099 F1103	L1048-M1073 HydrophobicContact CD2-CE 4.06Å; L1051-M1073 HydrophobicContact CD2-CE 4.31Å; L1051-M1073 HydrophobicContact CD2-SD 3.69Å; L1069-M1073 WeakPolarHBondContact O-CB 3.5Å; L1069-M1073 PolarHBondContact O-N 3.28Å; A1070-M1073 PolarHBondContact O-N 3.42Å; A1071-M1073 VanDerWaalsContact C-N 3.34Å; M1073-F1076 HydrophobicContact CG-CD1 4.5Å; M1073-F1076 VanDerWaalsContact O-CB 3.31Å; M1073-F1076 WeakPolarHBondContact O-CB 3.43Å; M1073-F1076 PolarHBondContact O-N 3Å; M1073-L1077 VanDerWaalsContact O-CG 3.26Å; M1073-L1077 WeakPolarHBondContact O-CG 3.23Å; M1073-L1077 PolarHBondContact O-N 3.49Å; M1073-L1099 HydrophobicContact CE-CB 4.1Å; M1073-L1099 HydrophobicContact CE-CD1 4.48Å; M1073-L1099 HydrophobicContact CE-CD2 4.32Å; M1073-F1103 HydrophobicContact CE-CE2 4.47Å; M1073-F1103 HydrophobicContact SD-CD2 4.39Å; M1073-F1103 HydrophobicContact SD-CE2 3.6Å; M1073-F1103 HydrophobicContact SD-CZ 4.27Å
1074	V	61.9	Low	59	Low	58 Å²	58	66.7 Å²	66.7	35%	0.352	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-47	171.9	168.8	0	0	0	0	110.3	A1070 A1071 F1076 L1077 E1078	A1070-V1074 WeakPolarHBondContact O-CB 3.18Å; A1070-V1074 VanDerWaalsContact O-CG2 3.26Å; A1070-V1074 WeakPolarHBondContact O-CG2 3.42Å; A1070-V1074 PolarHBondContact O-N 3.2Å; A1071-V1074 PolarHBondContact O-N 2.85Å; V1074-F1076 PolarHBondContact O-N 3.2Å; V1074-L1077 CarbonylContact O-C 3.49Å; V1074-L1077 PolarHBondContact O-N 3Å; V1074-E1078 HydrophobicContact CG1-CG 4.19Å; V1074-E1078 WeakPolarHBondContact O-CB 3.32Å; V1074-E1078 WeakPolarHBondContact O-CG 3.26Å; V1074-E1078 PolarHBondContact O-N 3.25Å
1075	K	62.5	Low	57.8	Low	134 Å²	134	57.8 Å²	57.8	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-55.9	-39.9	173.4	-74.4	174.3	-172	162.4	0	111.8	A1071 D1072 S1079	A1071-K1075 WeakPolarHBondContact O-CG 3.09Å; A1071-K1075 PolarHBondContact O-N 3.47Å; D1072-K1075 PolarHBondContact O-N 3.23Å; D1072-K1075 IonicContact OD1-NZ 3.93Å; K1075-S1079 WeakPolarHBondContact O-CB 3.39Å; K1075-S1079 PolarHBondContact O-N 3.23Å
1076	F	60.8	Low	56.7	Low	3 Å²	3	62.6 Å²	62.6	1%	0.013	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-47.5	172.6	161.6	-123.2	0	0	0	112	C1033 C1037 L1044 D1072 M1073 V1074 E1078 S1079 C1082 L1085	C1033-F1076 HydrophobicContact CB-CD1 4.3Å; C1033-F1076 HydrophobicContact CB-CD2 4.47Å; C1033-F1076 HydrophobicContact CB-CE1 4.12Å; C1033-F1076 HydrophobicContact CB-CE2 4.29Å; C1033-F1076 HydrophobicContact CB-CG 4.45Å; C1033-F1076 HydrophobicContact CB-CZ 4.1Å; C1033-F1076 WeakPolarHBondContact O-CE2 3.04Å; C1037-F1076 WeakPolarHBondContact SG-CE2 3.48Å; C1037-F1076 VanDerWaalsContact SG-CZ 3.58Å; L1044-F1076 HydrophobicContact CD1-CZ 4.04Å; D1072-F1076 PolarHBondContact O-N 3.35Å; M1073-F1076 HydrophobicContact CG-CD1 4.5Å; M1073-F1076 VanDerWaalsContact O-CB 3.31Å; M1073-F1076 WeakPolarHBondContact O-CB 3.43Å; M1073-F1076 PolarHBondContact O-N 3Å; V1074-F1076 PolarHBondContact O-N 3.2Å; F1076-E1078 VanDerWaalsContact C-N 3.34Å; F1076-E1078 PolarHBondContact O-N 3.05Å; F1076-S1079 WeakPolarHBondContact O-CB 3.37Å; F1076-S1079 PolarHBondContact O-N 3.32Å; F1076-S1079 PolarHBondContact O-OG 3.25Å; F1076-C1082 WeakPolarHBondContact O-CB 3.49Å; F1076-L1085 HydrophobicContact CZ-CD1 4.39Å
1077	L	55.7	Low	55.7	Low	25 Å²	25	67.1 Å²	67.1	13%	0.131	34%	0.342	C	S	.	.	H	α-helix	trans	-70.9	-27.5	-178.9	-65.4	172.6	0	0	0	114.2	M1073 V1074 V1096 L1100	M1073-L1077 VanDerWaalsContact O-CG 3.26Å; M1073-L1077 WeakPolarHBondContact O-CG 3.23Å; M1073-L1077 PolarHBondContact O-N 3.49Å; V1074-L1077 CarbonylContact O-C 3.49Å; V1074-L1077 PolarHBondContact O-N 3Å; L1077-V1096 HydrophobicContact CD1-CG1 4.15Å; L1077-V1096 HydrophobicContact CD2-CG1 3.4Å; L1077-V1096 VanDerWaalsContact CD2-CG1 3.4Å; L1077-V1096 HydrophobicContact CG-CG1 4.41Å; L1077-L1100 HydrophobicContact CD1-CD1 3.24Å; L1077-L1100 HydrophobicContact CD1-CG 4.1Å
1078	E	54.5	Low	54.6	Low	148 Å²	148	66.4 Å²	66.4	69%	0.692	34%	0.343	S	S	*	.	H	α-helix	trans	-81.2	-21.9	173.5	-70.6	-178.8	166.5	0	0	112.5	V1074 F1076	V1074-E1078 HydrophobicContact CG1-CG 4.19Å; V1074-E1078 WeakPolarHBondContact O-CB 3.32Å; V1074-E1078 WeakPolarHBondContact O-CG 3.26Å; V1074-E1078 PolarHBondContact O-N 3.25Å; F1076-E1078 VanDerWaalsContact C-N 3.34Å; F1076-E1078 PolarHBondContact O-N 3.05Å
1079	S	55.3	Low	53.4	Low	31 Å²	31	70 Å²	70	22%	0.217	35%	0.351	C	S	.	.	S	Bend	trans	-58.8	141.4	177.8	78.3	0	0	0	0	110.9	K1075 F1076 N1081 C1082	K1075-S1079 WeakPolarHBondContact O-CB 3.39Å; K1075-S1079 PolarHBondContact O-N 3.23Å; F1076-S1079 WeakPolarHBondContact O-CB 3.37Å; F1076-S1079 PolarHBondContact O-N 3.32Å; F1076-S1079 PolarHBondContact O-OG 3.25Å; S1079-N1081 PolarHBondContact O-N 3.35Å; S1079-C1082 PolarHBondContact O-N 2.79Å
1080	K	50.8	Low	52.3	Low	174 Å²	174	77.1 Å²	77.1	76%	0.757	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-51.1	-29.3	175.7	-70.6	-174.9	177.7	-178.7	0	112	C1082 Q1083	K1080-C1082 PolarHBondContact O-N 2.99Å; K1080-Q1083 WeakPolarHBondContact O-CB 3.44Å; K1080-Q1083 PolarHBondContact O-N 2.89Å; K1080-Q1083 VanDerWaalsContact O-N 3.14Å
1081	N	48.1	Very low	51.1	Low	46 Å²	46	83.7 Å²	83.7	25%	0.246	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-60.2	-26.8	178.5	-59.4	-9.9	0	0	0	113.1	S1034 C1037 H1038 S1079	S1034-N1081 PolarHBondContact O-ND2 3.1Å; C1037-N1081 HydrophobicContact CB-CB 4.23Å; H1038-N1081 PolarHBondContact NE2-OD1 3.19Å; S1079-N1081 PolarHBondContact O-N 3.35Å
1082	C	47.5	Very low	49.8	Very low	4 Å²	4	82.5 Å²	82.5	3%	0.027	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-90	-9.3	-178.8	-143.5	0	0	0	0	113.5	F1076 S1079 K1080 F1084 L1085 K1086	F1076-C1082 WeakPolarHBondContact O-CB 3.49Å; S1079-C1082 PolarHBondContact O-N 2.79Å; K1080-C1082 PolarHBondContact O-N 2.99Å; C1082-F1084 PolarHBondContact O-N 3.47Å; C1082-L1085 WeakPolarHBondContact O-CB 3.42Å; C1082-L1085 PolarHBondContact O-N 3.48Å; C1082-K1086 PolarHBondContact O-N 3.44Å; C1082-K1086 VanDerWaalsContact O-N 3.13Å
1083	Q	46.9	Very low	48.7	Very low	128 Å²	128	85.9 Å²	85.9	60%	0.598	41%	0.407	S	S	*	.	H	α-helix	trans	-60	-34.9	174.5	-77.6	-174.6	-21.5	0	0	111.8	K1080 L1085 K1086 V1087	K1080-Q1083 WeakPolarHBondContact O-CB 3.44Å; K1080-Q1083 PolarHBondContact O-N 2.89Å; K1080-Q1083 VanDerWaalsContact O-N 3.14Å; Q1083-L1085 VanDerWaalsContact C-N 3.31Å; Q1083-L1085 PolarHBondContact O-N 2.96Å; Q1083-K1086 PolarHBondContact O-N 3.38Å; Q1083-V1087 VanDerWaalsContact O-CG2 3.32Å; Q1083-V1087 WeakPolarHBondContact O-CG2 3.24Å; Q1083-V1087 PolarHBondContact O-N 3.49Å
1084	F	41.2	Very low	47.8	Very low	124 Å²	124	93.2 Å²	93.2	54%	0.544	44%	0.435	S	S	.	.	H	α-helix	trans	-57.4	-43.4	171.8	176.3	-99.1	0	0	0	111.8	C1082 K1086 V1087 S1088	C1082-F1084 PolarHBondContact O-N 3.47Å; F1084-K1086 PolarHBondContact O-N 3.2Å; F1084-V1087 PolarHBondContact O-N 3.47Å; F1084-S1088 WeakPolarHBondContact CD2-OG 3.24Å; F1084-S1088 VanDerWaalsContact CE2-OG 3.24Å; F1084-S1088 WeakPolarHBondContact CE2-OG 3.12Å; F1084-S1088 WeakPolarHBondContact O-CB 3.49Å; F1084-S1088 PolarHBondContact O-N 2.71Å; F1084-S1088 PolarHBondContact O-OG 3.43Å
1085	L	42.1	Very low	47	Very low	17 Å²	17	95.5 Å²	95.5	9%	0.089	44%	0.44	C	S	.	.	H	α-helix	trans	-67.3	-35.3	178.3	-68.1	175.1	0	0	0	113.1	L1044 F1076 C1082 Q1083 V1087 L1092	L1044-L1085 HydrophobicContact CD2-CD1 3.58Å; L1044-L1085 HydrophobicContact CD2-CD2 4.13Å; L1044-L1085 HydrophobicContact CD2-CG 4.42Å; F1076-L1085 HydrophobicContact CZ-CD1 4.39Å; C1082-L1085 WeakPolarHBondContact O-CB 3.42Å; C1082-L1085 PolarHBondContact O-N 3.48Å; Q1083-L1085 VanDerWaalsContact C-N 3.31Å; Q1083-L1085 PolarHBondContact O-N 2.96Å; L1085-V1087 VanDerWaalsContact C-N 3.29Å; L1085-V1087 PolarHBondContact O-N 2.71Å; L1085-L1092 HydrophobicContact CD1-CD2 4.3Å; L1085-L1092 HydrophobicContact CD2-CD2 3.4Å; L1085-L1092 VanDerWaalsContact CD2-CD2 3.4Å; L1085-L1092 HydrophobicContact CG-CD2 4.44Å
1086	K	41.7	Very low	46.3	Very low	132 Å²	132	89.4 Å²	89.4	57%	0.574	41%	0.414	S	S	*	.	H	α-helix	trans	-65.6	-33	173.7	-74.4	-177.7	179.3	171.7	0	112.3	C1082 Q1083 F1084 Y1093	C1082-K1086 PolarHBondContact O-N 3.44Å; C1082-K1086 VanDerWaalsContact O-N 3.13Å; Q1083-K1086 PolarHBondContact O-N 3.38Å; F1084-K1086 PolarHBondContact O-N 3.2Å; K1086-Y1093 HydrophobicContact CG-CE2 4.46Å
1087	V	43.1	Very low	45.7	Very low	126 Å²	126	92 Å²	92	76%	0.764	43%	0.428	S	S	*	.	H	α-helix	trans	-88.7	-32	-177.4	178	0	0	0	0	112	Q1083 F1084 L1085	Q1083-V1087 VanDerWaalsContact O-CG2 3.32Å; Q1083-V1087 WeakPolarHBondContact O-CG2 3.24Å; Q1083-V1087 PolarHBondContact O-N 3.49Å; F1084-V1087 PolarHBondContact O-N 3.47Å; L1085-V1087 VanDerWaalsContact C-N 3.29Å; L1085-V1087 PolarHBondContact O-N 2.71Å
1088	S	38.9	Very low	45.4	Very low	53 Å²	53	94.3 Å²	94.3	37%	0.371	45%	0.446	S	S	.	.	H	α-helix	trans	-96.4	-29.9	-161.8	-58	0	0	0	0	117.2	F1084	F1084-S1088 WeakPolarHBondContact CD2-OG 3.24Å; F1084-S1088 VanDerWaalsContact CE2-OG 3.24Å; F1084-S1088 WeakPolarHBondContact CE2-OG 3.12Å; F1084-S1088 WeakPolarHBondContact O-CB 3.49Å; F1084-S1088 PolarHBondContact O-N 2.71Å; F1084-S1088 PolarHBondContact O-OG 3.43Å
1089	R	42.8	Very low	45.2	Very low	151 Å²	151	87.4 Å²	87.4	57%	0.57	41%	0.414	S	S	*	.			trans	-155.3	117.3	-176.5	-68.7	-169.8	173.3	170	-3.9	114.5	Q1091 L1092 Y1093	R1089-Q1091 VanDerWaalsContact C-N 3.27Å; R1089-Q1091 PolarHBondContact O-N 3.4Å; R1089-L1092 PolarHBondContact O-N 2.96Å; R1089-Y1093 PolarHBondContact O-N 3.42Å
1090	Q	43.5	Very low	45	Very low	149 Å²	149	88 Å²	88	70%	0.696	42%	0.415	S	S	*	.	H	α-helix	trans	-57.5	-32.6	176.1	-76.5	-172.7	1	0	0	113.9	R1094	Q1090-R1094 WeakPolarHBondContact O-CB 3.49Å; Q1090-R1094 VanDerWaalsContact O-CG 3.29Å; Q1090-R1094 WeakPolarHBondContact O-CG 3.43Å; Q1090-R1094 PolarHBondContact O-N 2.98Å
1091	Q	39	Very low	45	Very low	166 Å²	166	84.2 Å²	84.2	78%	0.776	40%	0.403	S	S	*	.	H	α-helix	trans	-71	-40.1	-178.6	-73.9	-177.6	-7.5	0	0	113.2	R1089 R1094 F1095	R1089-Q1091 VanDerWaalsContact C-N 3.27Å; R1089-Q1091 PolarHBondContact O-N 3.4Å; Q1091-R1094 WeakPolarHBondContact O-CB 3.48Å; Q1091-R1094 PolarHBondContact O-N 3.4Å; Q1091-F1095 PolarHBondContact O-N 3.46Å
1092	L	40.7	Very low	44.9	Very low	19 Å²	19	84.8 Å²	84.8	10%	0.099	41%	0.405	C	S	.	.	H	α-helix	trans	-70.7	-39.1	177.6	-131.1	102.3	0	0	0	110.9	L1041 L1044 L1045 L1085 R1089 R1094 F1095 V1096	L1041-L1092 HydrophobicContact CD1-CD1 3.89Å; L1041-L1092 HydrophobicContact CD1-CD2 4.07Å; L1044-L1092 HydrophobicContact CD2-CD2 4.02Å; L1045-L1092 HydrophobicContact CD1-CD1 4.46Å; L1045-L1092 HydrophobicContact CD2-CD1 3.78Å; L1045-L1092 HydrophobicContact CD2-CG 4.37Å; L1045-L1092 HydrophobicContact CG-CD1 4.28Å; L1085-L1092 HydrophobicContact CD1-CD2 4.3Å; L1085-L1092 HydrophobicContact CD2-CD2 3.4Å; L1085-L1092 VanDerWaalsContact CD2-CD2 3.4Å; L1085-L1092 HydrophobicContact CG-CD2 4.44Å; R1089-L1092 PolarHBondContact O-N 2.96Å; L1092-R1094 VanDerWaalsContact C-N 3.3Å; L1092-R1094 PolarHBondContact O-N 3.3Å; L1092-F1095 PolarHBondContact O-N 2.87Å; L1092-F1095 VanDerWaalsContact O-N 3.15Å; L1092-V1096 WeakPolarHBondContact O-CG2 2.96Å; L1092-V1096 PolarHBondContact O-N 3.41Å
1093	Y	43	Very low	44.8	Very low	110 Å²	110	85.6 Å²	85.6	43%	0.431	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-38.4	173	-173.7	-113.5	0	0	0	111.8	K1086 R1089 L1097	K1086-Y1093 HydrophobicContact CG-CE2 4.46Å; R1089-Y1093 PolarHBondContact O-N 3.42Å; Y1093-L1097 HydrophobicContact CD1-CD1 3.57Å; Y1093-L1097 HydrophobicContact CD1-CG 4.34Å; Y1093-L1097 HydrophobicContact CE1-CD1 3.22Å; Y1093-L1097 HydrophobicContact CE1-CG 4.01Å; Y1093-L1097 HydrophobicContact CE2-CD1 4.41Å; Y1093-L1097 HydrophobicContact CE2-CG 4.33Å; Y1093-L1097 HydrophobicContact CG-CD1 4.32Å; Y1093-L1097 VanDerWaalsContact O-CB 3.24Å; Y1093-L1097 WeakPolarHBondContact O-CB 3.45Å; Y1093-L1097 WeakPolarHBondContact O-CG 3.43Å; Y1093-L1097 PolarHBondContact O-N 3.22Å
1094	R	44.9	Very low	44.6	Very low	159 Å²	159	84 Å²	84	60%	0.6	40%	0.403	S	S	*	.	H	α-helix	trans	-63.3	-40.3	171.4	-77.6	178.5	-170.7	-177.1	5.7	112.7	Q1090 Q1091 L1092 L1097 S1098	Q1090-R1094 WeakPolarHBondContact O-CB 3.49Å; Q1090-R1094 VanDerWaalsContact O-CG 3.29Å; Q1090-R1094 WeakPolarHBondContact O-CG 3.43Å; Q1090-R1094 PolarHBondContact O-N 2.98Å; Q1091-R1094 WeakPolarHBondContact O-CB 3.48Å; Q1091-R1094 PolarHBondContact O-N 3.4Å; L1092-R1094 VanDerWaalsContact C-N 3.3Å; L1092-R1094 PolarHBondContact O-N 3.3Å; R1094-L1097 PolarHBondContact O-N 3.09Å; R1094-S1098 WeakPolarHBondContact O-CB 3.38Å; R1094-S1098 PolarHBondContact O-N 3.46Å; R1094-S1098 PolarHBondContact O-OG 2.79Å
1095	F	43.1	Very low	44.7	Very low	107 Å²	107	84.4 Å²	84.4	47%	0.469	41%	0.407	S	S	.	.	H	α-helix	trans	-67.3	-44.5	178.3	-158.2	-92.3	0	0	0	111.5	Q1091 L1092 S1098 L1099	Q1091-F1095 PolarHBondContact O-N 3.46Å; L1092-F1095 PolarHBondContact O-N 2.87Å; L1092-F1095 VanDerWaalsContact O-N 3.15Å; F1095-S1098 WeakPolarHBondContact O-CB 3.33Å; F1095-S1098 PolarHBondContact O-N 3.45Å; F1095-S1098 VanDerWaalsContact O-N 3.15Å; F1095-L1099 HydrophobicContact CD1-CD1 3.99Å; F1095-L1099 HydrophobicContact CE1-CD1 3.85Å; F1095-L1099 PolarHBondContact O-N 3.16Å
1096	V	48	Very low	44.6	Very low	6 Å²	6	87.3 Å²	87.3	4%	0.036	42%	0.422	C	S	.	.	H	α-helix	trans	-61	-44.9	173.4	169.2	0	0	0	0	111.3	L1048 L1077 L1092 S1098 L1099 L1100	L1048-V1096 HydrophobicContact CD1-CG2 4.29Å; L1077-V1096 HydrophobicContact CD1-CG1 4.15Å; L1077-V1096 HydrophobicContact CD2-CG1 3.4Å; L1077-V1096 VanDerWaalsContact CD2-CG1 3.4Å; L1077-V1096 HydrophobicContact CG-CG1 4.41Å; L1092-V1096 WeakPolarHBondContact O-CG2 2.96Å; L1092-V1096 PolarHBondContact O-N 3.41Å; V1096-S1098 VanDerWaalsContact C-N 3.3Å; V1096-S1098 PolarHBondContact O-N 2.97Å; V1096-L1099 WeakPolarHBondContact O-CB 3.4Å; V1096-L1099 PolarHBondContact O-N 3.43Å; V1096-L1100 WeakPolarHBondContact O-CB 3.22Å; V1096-L1100 PolarHBondContact O-N 2.85Å
1097	L	49.6	Very low	44.2	Very low	57 Å²	57	86.7 Å²	86.7	30%	0.298	42%	0.419	S	S	.	.	H	α-helix	trans	-63.2	-34.1	173.4	-85.8	170.8	0	0	0	112.5	Y1093 R1094 L1100 N1101	Y1093-L1097 HydrophobicContact CD1-CD1 3.57Å; Y1093-L1097 HydrophobicContact CD1-CG 4.34Å; Y1093-L1097 HydrophobicContact CE1-CD1 3.22Å; Y1093-L1097 HydrophobicContact CE1-CG 4.01Å; Y1093-L1097 HydrophobicContact CE2-CD1 4.41Å; Y1093-L1097 HydrophobicContact CE2-CG 4.33Å; Y1093-L1097 HydrophobicContact CG-CD1 4.32Å; Y1093-L1097 VanDerWaalsContact O-CB 3.24Å; Y1093-L1097 WeakPolarHBondContact O-CB 3.45Å; Y1093-L1097 WeakPolarHBondContact O-CG 3.43Å; Y1093-L1097 PolarHBondContact O-N 3.22Å; R1094-L1097 PolarHBondContact O-N 3.09Å; L1097-L1100 PolarHBondContact O-N 3.27Å; L1097-N1101 WeakPolarHBondContact O-CB 3.4Å; L1097-N1101 VanDerWaalsContact O-CG 3.25Å; L1097-N1101 PolarHBondContact O-N 3.48Å
1098	S	49.2	Very low	44	Very low	73 Å²	73	85.5 Å²	85.5	51%	0.51	41%	0.412	S	S	.	.	H	α-helix	trans	-69.2	-41	177.1	-58.8	0	0	0	0	110.9	R1094 F1095 V1096 N1101 L1102	R1094-S1098 WeakPolarHBondContact O-CB 3.38Å; R1094-S1098 PolarHBondContact O-N 3.46Å; R1094-S1098 PolarHBondContact O-OG 2.79Å; F1095-S1098 WeakPolarHBondContact O-CB 3.33Å; F1095-S1098 PolarHBondContact O-N 3.45Å; F1095-S1098 VanDerWaalsContact O-N 3.15Å; V1096-S1098 VanDerWaalsContact C-N 3.3Å; V1096-S1098 PolarHBondContact O-N 2.97Å; S1098-N1101 PolarHBondContact O-N 3Å; S1098-L1102 WeakPolarHBondContact O-CB 3.31Å; S1098-L1102 PolarHBondContact O-N 3.23Å
1099	L	49.8	Very low	43.9	Very low	3 Å²	3	88.8 Å²	88.8	2%	0.016	43%	0.43	C	S	.	.	H	α-helix	trans	-60.3	-48.3	169.6	-104.3	145.1	0	0	0	111.1	Y1052 M1073 F1095 V1096 N1101 L1102 F1103	Y1052-L1099 HydrophobicContact CD2-CD2 4.05Å; Y1052-L1099 HydrophobicContact CD2-CG 4.17Å; M1073-L1099 HydrophobicContact CE-CB 4.1Å; M1073-L1099 HydrophobicContact CE-CD1 4.48Å; M1073-L1099 HydrophobicContact CE-CD2 4.32Å; F1095-L1099 HydrophobicContact CD1-CD1 3.99Å; F1095-L1099 HydrophobicContact CE1-CD1 3.85Å; F1095-L1099 PolarHBondContact O-N 3.16Å; V1096-L1099 WeakPolarHBondContact O-CB 3.4Å; V1096-L1099 PolarHBondContact O-N 3.43Å; L1099-N1101 PolarHBondContact O-N 2.91Å; L1099-L1102 WeakPolarHBondContact O-CB 3.34Å; L1099-L1102 PolarHBondContact O-N 2.83Å; L1099-F1103 HydrophobicContact CD2-CE2 3.87Å; L1099-F1103 WeakPolarHBondContact O-CD2 3.3Å; L1099-F1103 PolarHBondContact O-N 3.32Å
1100	L	51.1	Low	43.4	Very low	45 Å²	45	89.8 Å²	89.8	24%	0.236	44%	0.441	C	S	.	.	H	α-helix	trans	-60.3	-43.4	176.4	-114	161.3	0	0	0	112.6	L1077 V1096 L1097 L1102 F1103 L1104	L1077-L1100 HydrophobicContact CD1-CD1 3.24Å; L1077-L1100 HydrophobicContact CD1-CG 4.1Å; V1096-L1100 WeakPolarHBondContact O-CB 3.22Å; V1096-L1100 PolarHBondContact O-N 2.85Å; L1097-L1100 PolarHBondContact O-N 3.27Å; L1100-L1102 VanDerWaalsContact C-N 3.34Å; L1100-F1103 WeakPolarHBondContact O-CB 3.28Å; L1100-F1103 PolarHBondContact O-N 3.34Å; L1100-L1104 HydrophobicContact CD2-CD1 4.45Å; L1100-L1104 WeakPolarHBondContact O-CB 3.49Å; L1100-L1104 WeakPolarHBondContact O-CG 3.46Å; L1100-L1104 PolarHBondContact O-N 2.83Å
1101	N	50.6	Low	43.4	Very low	94 Å²	94	86.9 Å²	86.9	50%	0.503	43%	0.428	S	S	.	.	H	α-helix	trans	-66.5	-37.7	175.9	-80.6	-16.8	0	0	0	110.6	L1097 S1098 L1099 L1104 H1105	L1097-N1101 WeakPolarHBondContact O-CB 3.4Å; L1097-N1101 VanDerWaalsContact O-CG 3.25Å; L1097-N1101 PolarHBondContact O-N 3.48Å; S1098-N1101 PolarHBondContact O-N 3Å; L1099-N1101 PolarHBondContact O-N 2.91Å; N1101-L1104 PolarHBondContact O-N 3.1Å; N1101-H1105 VanDerWaalsContact O-CB 3.26Å; N1101-H1105 WeakPolarHBondContact O-CB 3.4Å; N1101-H1105 PolarHBondContact O-N 3.43Å
1102	L	46.7	Very low	43.6	Very low	58 Å²	58	82.7 Å²	82.7	30%	0.304	41%	0.41	S	S	.	.	H	α-helix	trans	-60.4	-46.5	172.4	-166.4	84.8	0	0	0	110.6	Y1052 T1056 S1098 L1099 L1100 L1104 H1105 L1106	Y1052-L1102 HydrophobicContact CD2-CD2 4.4Å; Y1052-L1102 HydrophobicContact CE2-CD2 3.9Å; T1056-L1102 HydrophobicContact CG2-CD2 3.93Å; S1098-L1102 WeakPolarHBondContact O-CB 3.31Å; S1098-L1102 PolarHBondContact O-N 3.23Å; L1099-L1102 WeakPolarHBondContact O-CB 3.34Å; L1099-L1102 PolarHBondContact O-N 2.83Å; L1100-L1102 VanDerWaalsContact C-N 3.34Å; L1102-L1104 PolarHBondContact O-N 3.01Å; L1102-H1105 PolarHBondContact O-N 3.4Å; L1102-L1106 HydrophobicContact CD2-CD1 4.45Å; L1102-L1106 HydrophobicContact CG-CD1 4.14Å; L1102-L1106 WeakPolarHBondContact O-CB 3.32Å; L1102-L1106 VanDerWaalsContact O-CG 3.28Å; L1102-L1106 WeakPolarHBondContact O-CG 3.46Å; L1102-L1106 PolarHBondContact O-N 3.18Å
1103	F	44.6	Very low	43.8	Very low	20 Å²	20	86.2 Å²	86.2	9%	0.088	43%	0.427	C	S	.	.	H	α-helix	trans	-59.1	-43.7	174.1	-78.6	-70.2	0	0	0	112.3	V1055 L1066 M1073 L1099 L1100 K1107	V1055-F1103 HydrophobicContact CG1-CE1 3.92Å; V1055-F1103 HydrophobicContact CG1-CZ 4.12Å; V1055-F1103 HydrophobicContact CG2-CE1 3.94Å; V1055-F1103 HydrophobicContact CG2-CZ 3.66Å; L1066-F1103 HydrophobicContact CD2-CD1 4.11Å; L1066-F1103 HydrophobicContact CD2-CE1 4.02Å; M1073-F1103 HydrophobicContact CE-CE2 4.47Å; M1073-F1103 HydrophobicContact SD-CD2 4.39Å; M1073-F1103 HydrophobicContact SD-CE2 3.6Å; M1073-F1103 HydrophobicContact SD-CZ 4.27Å; L1099-F1103 HydrophobicContact CD2-CE2 3.87Å; L1099-F1103 WeakPolarHBondContact O-CD2 3.3Å; L1099-F1103 PolarHBondContact O-N 3.32Å; L1100-F1103 WeakPolarHBondContact O-CB 3.28Å; L1100-F1103 PolarHBondContact O-N 3.34Å; F1103-K1107 WeakPolarHBondContact O-CB 3.5Å; F1103-K1107 PolarHBondContact O-N 3.42Å
1104	L	42.5	Very low	43.8	Very low	95 Å²	95	84.8 Å²	84.8	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-71.1	-33.6	178.3	-72.4	168.7	0	0	0	112.8	L1100 N1101 L1102 K1107 T1108	L1100-L1104 HydrophobicContact CD2-CD1 4.45Å; L1100-L1104 WeakPolarHBondContact O-CB 3.49Å; L1100-L1104 WeakPolarHBondContact O-CG 3.46Å; L1100-L1104 PolarHBondContact O-N 2.83Å; N1101-L1104 PolarHBondContact O-N 3.1Å; L1102-L1104 PolarHBondContact O-N 3.01Å; L1104-K1107 PolarHBondContact O-N 3.15Å; L1104-T1108 PolarHBondContact O-N 2.96Å; L1104-T1108 PolarHBondContact O-OG1 3.45Å
1105	H	43.7	Very low	43.8	Very low	132 Å²	132	80.2 Å²	80.2	61%	0.611	42%	0.416	S	S	*	.	H	α-helix	trans	-73.9	-41.1	178.9	-133.8	-21.3	0	0	0	111	N1101 L1102 K1107 T1108 V1109	N1101-H1105 VanDerWaalsContact O-CB 3.26Å; N1101-H1105 WeakPolarHBondContact O-CB 3.4Å; N1101-H1105 PolarHBondContact O-N 3.43Å; L1102-H1105 PolarHBondContact O-N 3.4Å; H1105-K1107 PolarHBondContact O-N 3.26Å; H1105-T1108 WeakPolarHBondContact CA-OG1 3.44Å; H1105-T1108 PolarHBondContact ND1-OG1 2.73Å; H1105-T1108 PolarHBondContact O-N 3.36Å; H1105-T1108 PolarHBondContact O-OG1 2.93Å; H1105-V1109 WeakPolarHBondContact O-CG2 3.42Å; H1105-V1109 PolarHBondContact O-N 3.3Å; H1105-V1109 VanDerWaalsContact O-N 3.15Å
1106	L	41.1	Very low	43.8	Very low	78 Å²	78	78.4 Å²	78.4	41%	0.408	41%	0.413	S	S	.	.	H	α-helix	trans	-59	-35.5	171.6	-73.1	166	0	0	0	111.3	L1102 T1108	L1102-L1106 HydrophobicContact CD2-CD1 4.45Å; L1102-L1106 HydrophobicContact CG-CD1 4.14Å; L1102-L1106 WeakPolarHBondContact O-CB 3.32Å; L1102-L1106 VanDerWaalsContact O-CG 3.28Å; L1102-L1106 WeakPolarHBondContact O-CG 3.46Å; L1102-L1106 PolarHBondContact O-N 3.18Å; L1106-T1108 VanDerWaalsContact C-N 3.32Å; L1106-T1108 PolarHBondContact O-N 3.38Å
1107	K	31.9	Very low	43.5	Very low	119 Å²	119	83.6 Å²	83.6	52%	0.517	44%	0.44	S	S	.	.	H	α-helix	trans	-71.8	-17.4	174.6	-166.4	172.1	-178.9	160.1	0	115.2	N1067 F1103 L1104 H1105	N1067-K1107 PolarHBondContact OD1-NZ 3.38Å; F1103-K1107 WeakPolarHBondContact O-CB 3.5Å; F1103-K1107 PolarHBondContact O-N 3.42Å; L1104-K1107 PolarHBondContact O-N 3.15Å; H1105-K1107 PolarHBondContact O-N 3.26Å
1108	T	38.5	Very low	43	Very low	101 Å²	101	85.6 Å²	85.6	62%	0.62	45%	0.451	S	S	*	.	H	α-helix	trans	-101.6	-9.1	178.6	35.6	0	0	0	0	113.4	L1104 H1105 L1106	L1104-T1108 PolarHBondContact O-N 2.96Å; L1104-T1108 PolarHBondContact O-OG1 3.45Å; H1105-T1108 WeakPolarHBondContact CA-OG1 3.44Å; H1105-T1108 PolarHBondContact ND1-OG1 2.73Å; H1105-T1108 PolarHBondContact O-N 3.36Å; H1105-T1108 PolarHBondContact O-OG1 2.93Å; L1106-T1108 VanDerWaalsContact C-N 3.32Å; L1106-T1108 PolarHBondContact O-N 3.38Å
1109	V	38.2	Very low	42.5	Very low	122 Å²	122	86.7 Å²	86.7	74%	0.739	45%	0.446	S	S	*	.	H	α-helix	trans	-89.8	-21.8	173.1	176.5	0	0	0	0	111.3	H1105	H1105-V1109 WeakPolarHBondContact O-CG2 3.42Å; H1105-V1109 PolarHBondContact O-N 3.3Å; H1105-V1109 VanDerWaalsContact O-N 3.15Å
1110	E	31.8	Very low	41.9	Very low	173 Å²	173	94.3 Å²	94.3	81%	0.808	49%	0.485	S	S	*	.			trans	-74	0	155.6	-71.5	-175.1	158.2	0	0	110.7

Retrieved 1,110 of 1,110 residues in 2667.5 ms (Link to these results)

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