A0A3Q0KN46_SCHMA Loading...

Putative nuclear receptor

AlphaFold DB , UniProt , Accession A0A3Q0KN46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,021 aa.

						>A0A3Q0KN46_SCHMA|A0A3Q0KN46
MNNLTKKYYSIENSSINQYYKEMFPLKEGIQTTLPLLHNHITNNSNNNHLSYIMTMNEQSNLNSNFKCEQSIGQPGYPLIENQFISSLSSSSSSFTLATSSVSSSASSAASVASSSSSSLSIQIPIVNELKYSNHLDYIQHFNSQMKSPMYDIKPTSIYHHHSNNTCVNNNGNNSKFSKPPNGSTSLTYGSIETVNSKKSALLIHNKQLLMKNDKNIESNDIIHCNSSVEEDDDDGDENDNDDGDEDDINDTVEESEDVSSSNCTDDIQHLCQVCGDRSSGKHYGQYTCEGCKSFFKRSVRKSANYVCRSGGQCPVDAQRRNQCQACRLSRCLLAGMKKSAVQRARANTQTYLCSTTPYSSYPVIAAAAVAAAATAYLHGTVTTTTTTTNTNDTTTNFISNSYIPTTNQYITPSNGNINHLPQTYYEQYEHTLNTSNIPYSRLYNQPIYTRRYISGNSMNKPIESMVTSYLPFNNSNTSSMLPYDYQPPTLHHHNHYATPFNLQQKSPYNNTYYHHYHHHSTSSIPSTSSIPIPMTTPIMTNFHNINMNCMNPYNTTNNTTTDSTSSSTITHTTNTTNNISSSSSIRCDLNQELNSSFRQPDSSSSSVATLPSLNSIIHYENIHSFMIDIQNTIKEWILIIQDTNYLLNTTYYLNYHYHIEFMKLWSNKLLKQMTYILNKLHSFKQIWNQYFKNMAGNSNDPLLLLLRRRHHGNGDDDDDDDDEVEEEYLWINELITQIELYESQDYEMKTTNQLNKSMIPIPDTTQIILCELIDKERELLLMKSLPTLSLMHICQSIHNYPNEEIIIKQIESLIYSIHHRHPHPQHEHDNSKYYKFNKPTSIPSNHLHSNQSIVHLDRCQIESGLEQNSNDTNELWNSNGSTTTTTTSGSNSSNRSNWNHNNNNSNLLLLISSIKRHNFDSFEWGCMRCFILLNSGLLNESYTKSFELLKYTIYMMLMKHIHHKFKQQSNHNKQVTIAKNHWTLTYRLNQRIYNLFQISNELLNIQIYQDTTDNNLSSNQ
					

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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	28.7	Very low	32.4	Very low	170 Å²	170	123.3 Å²	123.3	84%	0.837	60%	0.604	S	S	*	*				0	-99.4	0	-77	-58.7	-168.7	0	0	113.2	N3 L4 T5	M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.34Å; M1-L4 WeakPolarHBondContact O-CB 3.35Å; M1-L4 PolarHBondContact O-N 3.06Å; M1-T5 PolarHBondContact O-N 3.29Å; M1-T5 PolarHBondContact O-OG1 3.35Å
2	N	29.2	Very low	32.6	Very low	128 Å²	128	119.8 Å²	119.8	68%	0.684	59%	0.586	S	S	*	*	H	α-helix	trans	-49.9	-35.5	-161.1	-74	-5.8	0	0	0	117.1	T5 K6	N2-T5 WeakPolarHBondContact O-CB 3.31Å; N2-T5 PolarHBondContact O-N 3.43Å; N2-K6 PolarHBondContact O-N 2.71Å
3	N	29.7	Very low	32.6	Very low	133 Å²	133	117.3 Å²	117.3	71%	0.711	58%	0.576	S	S	*	*	H	α-helix	trans	-70.9	-36.7	178.1	-72	-4.4	0	0	0	113.1	M1 T5 K6 K7	M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.34Å; N3-T5 VanDerWaalsContact C-N 3.32Å; N3-K6 PolarHBondContact O-N 2.98Å; N3-K7 WeakPolarHBondContact O-CB 3.48Å; N3-K7 PolarHBondContact O-N 2.9Å
4	L	29.8	Very low	32.8	Very low	107 Å²	107	114.4 Å²	114.4	56%	0.56	57%	0.574	S	S	*	*	H	α-helix	trans	-62.9	-41.7	170.5	-79.6	159.3	0	0	0	110.6	M1 K7 Y8	M1-L4 WeakPolarHBondContact O-CB 3.35Å; M1-L4 PolarHBondContact O-N 3.06Å; L4-K7 PolarHBondContact O-N 3.35Å; L4-Y8 WeakPolarHBondContact O-CB 3.44Å; L4-Y8 PolarHBondContact O-N 3.46Å
5	T	34.2	Very low	32.9	Very low	61 Å²	61	111.8 Å²	111.8	37%	0.374	57%	0.57	S	S	.	*	H	α-helix	trans	-59	-47.8	174.5	-44.2	0	0	0	0	111.2	M1 N2 N3 Y8 Y9	M1-T5 PolarHBondContact O-N 3.29Å; M1-T5 PolarHBondContact O-OG1 3.35Å; N2-T5 WeakPolarHBondContact O-CB 3.31Å; N2-T5 PolarHBondContact O-N 3.43Å; N3-T5 VanDerWaalsContact C-N 3.32Å; T5-Y8 PolarHBondContact O-N 3.28Å; T5-Y9 HydrophobicContact CG2-CD2 3.77Å; T5-Y9 HydrophobicContact CG2-CE2 3.83Å; T5-Y9 WeakPolarHBondContact O-CB 3.27Å; T5-Y9 WeakPolarHBondContact O-CD2 3.44Å; T5-Y9 PolarHBondContact O-N 3.48Å
6	K	36.9	Very low	33	Very low	128 Å²	128	109.9 Å²	109.9	56%	0.557	56%	0.561	S	S	*	*	H	α-helix	trans	-63.6	-42.4	175.8	-74.6	-176.4	175.9	-178	0	112.8	N2 N3 S10	N2-K6 PolarHBondContact O-N 2.71Å; N3-K6 PolarHBondContact O-N 2.98Å; K6-S10 WeakPolarHBondContact O-CB 3.42Å; K6-S10 PolarHBondContact O-N 2.92Å; K6-S10 VanDerWaalsContact O-N 3.11Å
7	K	35.3	Very low	32.9	Very low	135 Å²	135	109.5 Å²	109.5	59%	0.587	56%	0.561	S	S	*	*	H	α-helix	trans	-61.8	-46.1	178	-147.2	176.7	-176.5	-173.3	0	110.4	N3 L4 I11	N3-K7 WeakPolarHBondContact O-CB 3.48Å; N3-K7 PolarHBondContact O-N 2.9Å; L4-K7 PolarHBondContact O-N 3.35Å; K7-I11 WeakPolarHBondContact O-CD1 3.28Å; K7-I11 WeakPolarHBondContact O-CG1 3.3Å; K7-I11 PolarHBondContact O-N 3.37Å
8	Y	33	Very low	33.2	Very low	153 Å²	153	109.8 Å²	109.8	60%	0.6	56%	0.559	S	S	*	*	H	α-helix	trans	-64.4	-49.9	175.5	-97.7	-91.9	0	0	0	113.6	L4 T5 S10 I11 E12	L4-Y8 WeakPolarHBondContact O-CB 3.44Å; L4-Y8 PolarHBondContact O-N 3.46Å; T5-Y8 PolarHBondContact O-N 3.28Å; Y8-S10 PolarHBondContact O-N 3.31Å; Y8-I11 PolarHBondContact O-N 3.39Å; Y8-I11 VanDerWaalsContact O-N 3.12Å; Y8-E12 PolarHBondContact O-N 2.93Å
9	Y	32.8	Very low	33	Very low	149 Å²	149	112.6 Å²	112.6	58%	0.584	56%	0.563	S	S	*	*	H	α-helix	trans	-61.4	-30.2	-179.8	-94.3	-73.9	0	0	0	113.1	T5 N13	T5-Y9 HydrophobicContact CG2-CD2 3.77Å; T5-Y9 HydrophobicContact CG2-CE2 3.83Å; T5-Y9 WeakPolarHBondContact O-CB 3.27Å; T5-Y9 WeakPolarHBondContact O-CD2 3.44Å; T5-Y9 PolarHBondContact O-N 3.48Å; Y9-N13 WeakPolarHBondContact O-CB 3.29Å; Y9-N13 PolarHBondContact O-N 3.4Å; Y9-N13 PolarHBondContact O-ND2 3.23Å
10	S	34.4	Very low	32.9	Very low	89 Å²	89	114.3 Å²	114.3	62%	0.622	56%	0.564	S	S	*	*	H	α-helix	trans	-70.1	-41.5	175.3	-160.8	0	0	0	0	111.9	K6 Y8 S14	K6-S10 WeakPolarHBondContact O-CB 3.42Å; K6-S10 PolarHBondContact O-N 2.92Å; K6-S10 VanDerWaalsContact O-N 3.11Å; Y8-S10 PolarHBondContact O-N 3.31Å; S10-S14 PolarHBondContact O-N 3.39Å
11	I	32.1	Very low	33	Very low	103 Å²	103	117.1 Å²	117.1	53%	0.528	57%	0.573	S	S	.	*	H	α-helix	trans	-68.2	-47.1	178	-64.7	165.5	0	0	0	110.8	K7 Y8 N13 S14 S15	K7-I11 WeakPolarHBondContact O-CD1 3.28Å; K7-I11 WeakPolarHBondContact O-CG1 3.3Å; K7-I11 PolarHBondContact O-N 3.37Å; Y8-I11 PolarHBondContact O-N 3.39Å; Y8-I11 VanDerWaalsContact O-N 3.12Å; I11-N13 PolarHBondContact O-N 2.87Å; I11-S14 WeakPolarHBondContact O-CB 3.31Å; I11-S14 PolarHBondContact O-N 2.59Å; I11-S15 PolarHBondContact O-N 2.9Å; I11-S15 PolarHBondContact O-OG 3.47Å
12	E	34.7	Very low	33.4	Very low	82 Å²	82	115.5 Å²	115.5	38%	0.383	56%	0.563	S	S	.	*	H	α-helix	trans	-62.6	-41.8	179.2	-72	-167.9	140.6	0	0	112.4	Y8 S14 S15 I16	Y8-E12 PolarHBondContact O-N 2.93Å; E12-S14 VanDerWaalsContact C-N 3.25Å; E12-S14 PolarHBondContact O-N 2.96Å; E12-S15 PolarHBondContact O-N 2.88Å; E12-I16 HydrophobicContact CB-CD1 4.18Å; E12-I16 VanDerWaalsContact O-CB 3.26Å; E12-I16 WeakPolarHBondContact O-CB 3.34Å; E12-I16 WeakPolarHBondContact O-CD1 3.21Å; E12-I16 WeakPolarHBondContact O-CG1 3.27Å; E12-I16 PolarHBondContact O-N 3.33Å
13	N	32.9	Very low	33.6	Very low	87 Å²	87	115.2 Å²	115.2	47%	0.465	56%	0.559	S	S	.	*	H	α-helix	trans	-64.8	-28.1	177.5	-83.1	-61.4	0	0	0	113.1	Y9 I11 N17	Y9-N13 WeakPolarHBondContact O-CB 3.29Å; Y9-N13 PolarHBondContact O-N 3.4Å; Y9-N13 PolarHBondContact O-ND2 3.23Å; I11-N13 PolarHBondContact O-N 2.87Å; N13-N17 WeakPolarHBondContact O-CB 3.49Å; N13-N17 PolarHBondContact O-N 3.49Å; N13-N17 PolarHBondContact O-ND2 3.49Å
14	S	35.1	Very low	33.7	Very low	77 Å²	77	115.8 Å²	115.8	54%	0.538	56%	0.556	S	S	.	*	H	α-helix	trans	-66.3	-57.8	170.9	-178.4	0	0	0	0	110.8	S10 I11 E12 I16 N17 Q18	S10-S14 PolarHBondContact O-N 3.39Å; I11-S14 WeakPolarHBondContact O-CB 3.31Å; I11-S14 PolarHBondContact O-N 2.59Å; E12-S14 VanDerWaalsContact C-N 3.25Å; E12-S14 PolarHBondContact O-N 2.96Å; S14-I16 PolarHBondContact O-N 3.43Å; S14-N17 PolarHBondContact O-N 2.86Å; S14-Q18 PolarHBondContact O-N 3.42Å
15	S	34.3	Very low	33.6	Very low	75 Å²	75	115.7 Å²	115.7	52%	0.524	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-39.7	-176.9	-52.9	0	0	0	0	113.2	I11 E12 Q18 Y19	I11-S15 PolarHBondContact O-N 2.9Å; I11-S15 PolarHBondContact O-OG 3.47Å; E12-S15 PolarHBondContact O-N 2.88Å; S15-Q18 PolarHBondContact O-N 2.79Å; S15-Y19 PolarHBondContact O-N 3.39Å
16	I	34.2	Very low	33.2	Very low	81 Å²	81	120.8 Å²	120.8	42%	0.415	59%	0.586	S	S	.	*	H	α-helix	trans	-69.9	-41.3	-178.5	-69.3	169	0	0	0	111.3	E12 S14 Q18 Y19 Y20	E12-I16 HydrophobicContact CB-CD1 4.18Å; E12-I16 VanDerWaalsContact O-CB 3.26Å; E12-I16 WeakPolarHBondContact O-CB 3.34Å; E12-I16 WeakPolarHBondContact O-CD1 3.21Å; E12-I16 WeakPolarHBondContact O-CG1 3.27Å; E12-I16 PolarHBondContact O-N 3.33Å; S14-I16 PolarHBondContact O-N 3.43Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 2.92Å; I16-Y19 PolarHBondContact O-N 2.9Å; I16-Y20 HydrophobicContact CG2-CD2 3.65Å; I16-Y20 HydrophobicContact CG2-CE2 3.64Å; I16-Y20 VanDerWaalsContact O-CD2 3.31Å; I16-Y20 WeakPolarHBondContact O-CD2 3.49Å; I16-Y20 PolarHBondContact O-N 3.37Å
17	N	32.8	Very low	32.8	Very low	104 Å²	104	124.4 Å²	124.4	56%	0.556	60%	0.601	S	S	*	*	H	α-helix	trans	-64.3	-34.5	175.6	-86.9	-69	0	0	0	112.3	N13 S14 K21	N13-N17 WeakPolarHBondContact O-CB 3.49Å; N13-N17 PolarHBondContact O-N 3.49Å; N13-N17 PolarHBondContact O-ND2 3.49Å; S14-N17 PolarHBondContact O-N 2.86Å; N17-K21 PolarHBondContact O-N 3.16Å
18	Q	37.2	Very low	32.4	Very low	114 Å²	114	126.7 Å²	126.7	53%	0.533	61%	0.614	S	S	.	*	H	α-helix	trans	-70.2	-44	175.8	-169.7	155.6	-15.4	0	0	111.7	S14 S15 I16 Y20 K21 E22	S14-Q18 PolarHBondContact O-N 3.42Å; S15-Q18 PolarHBondContact O-N 2.79Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 2.92Å; Q18-Y20 VanDerWaalsContact C-N 3.34Å; Q18-Y20 PolarHBondContact O-N 2.95Å; Q18-K21 WeakPolarHBondContact O-CB 3.37Å; Q18-K21 PolarHBondContact O-N 2.82Å; Q18-K21 VanDerWaalsContact O-N 3.14Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.32Å; Q18-E22 PolarHBondContact NE2-OE1 3.49Å; Q18-E22 PolarHBondContact O-N 3.32Å
19	Y	29.2	Very low	32	Very low	163 Å²	163	122.6 Å²	122.6	64%	0.639	62%	0.619	S	S	*	*	H	α-helix	trans	-60	-40.5	175.4	-155.7	-93.2	0	0	0	112.6	S15 I16 E22 M23	S15-Y19 PolarHBondContact O-N 3.39Å; I16-Y19 PolarHBondContact O-N 2.9Å; Y19-E22 PolarHBondContact O-N 2.9Å; Y19-M23 HydrophobicContact CE1-SD 4.11Å; Y19-M23 WeakPolarHBondContact O-CB 3.2Å; Y19-M23 PolarHBondContact O-N 3.4Å
20	Y	31	Very low	31.7	Very low	146 Å²	146	124 Å²	124	57%	0.573	63%	0.634	S	S	*	*	H	α-helix	trans	-70.9	-31.2	175	-82.2	-64.2	0	0	0	113.8	I16 Q18 F24	I16-Y20 HydrophobicContact CG2-CD2 3.65Å; I16-Y20 HydrophobicContact CG2-CE2 3.64Å; I16-Y20 VanDerWaalsContact O-CD2 3.31Å; I16-Y20 WeakPolarHBondContact O-CD2 3.49Å; I16-Y20 PolarHBondContact O-N 3.37Å; Q18-Y20 VanDerWaalsContact C-N 3.34Å; Q18-Y20 PolarHBondContact O-N 2.95Å; Y20-F24 PolarHBondContact O-N 2.87Å
21	K	36	Very low	31.2	Very low	174 Å²	174	128.3 Å²	128.3	76%	0.757	65%	0.645	S	S	*	*	H	α-helix	trans	-65.5	-40.5	170.9	-91	-176.2	172.8	178.1	0	112.5	N17 Q18	N17-K21 PolarHBondContact O-N 3.16Å; Q18-K21 WeakPolarHBondContact O-CB 3.37Å; Q18-K21 PolarHBondContact O-N 2.82Å; Q18-K21 VanDerWaalsContact O-N 3.14Å
22	E	36.1	Very low	30.9	Very low	137 Å²	137	129.4 Å²	129.4	64%	0.64	66%	0.657	S	S	*	*	H	α-helix	trans	-76.7	-32.7	-177.5	-70.4	174.6	-161.8	0	0	112.4	Q18 Y19	Q18-E22 WeakPolarHBondContact CG-OE1 3.32Å; Q18-E22 PolarHBondContact NE2-OE1 3.49Å; Q18-E22 PolarHBondContact O-N 3.32Å; Y19-E22 PolarHBondContact O-N 2.9Å
23	M	34.1	Very low	30.5	Very low	122 Å²	122	132.6 Å²	132.6	60%	0.601	68%	0.682	S	S	*	*	H	α-helix	trans	-81.4	-17.5	-178.1	-159	172.2	-168.7	0	0	114.4	Y19	Y19-M23 HydrophobicContact CE1-SD 4.11Å; Y19-M23 WeakPolarHBondContact O-CB 3.2Å; Y19-M23 PolarHBondContact O-N 3.4Å
24	F	30.8	Very low	30.4	Very low	145 Å²	145	135.8 Å²	135.8	64%	0.636	70%	0.698	S	S	*	*			trans	-132.8	81.4	179	-74.5	-84.2	0	0	0	112.7	Y20 L26	Y20-F24 PolarHBondContact O-N 2.87Å; F24-L26 PolarHBondContact O-N 2.93Å; F24-L26 VanDerWaalsContact O-N 3.12Å
25	P	28.7	Very low	30.1	Very low	105 Å²	105	137.9 Å²	137.9	68%	0.682	71%	0.71	S	S	*	*			trans	-65	113.7	171.2	26.7	-33.8	0	0	0	110.6	K27	P25-K27 PolarHBondContact O-N 3.22Å
26	L	25.3	Very low	29.7	Very low	167 Å²	167	140.9 Å²	140.9	87%	0.874	72%	0.719	S	S	*	*			trans	-64.4	97.5	172.2	-73.2	170.2	0	0	0	109.9	F24 E28	F24-L26 PolarHBondContact O-N 2.93Å; F24-L26 VanDerWaalsContact O-N 3.12Å; L26-E28 VanDerWaalsContact C-N 3.33Å; L26-E28 PolarHBondContact O-N 3.44Å
27	K	29.4	Very low	29.5	Very low	204 Å²	204	145.6 Å²	145.6	89%	0.887	74%	0.744	S	S	*	*			trans	-76	85.1	171.2	-90.1	-166.3	169.1	-172.3	0	111	P25	P25-K27 PolarHBondContact O-N 3.22Å
28	E	25.9	Very low	29.2	Very low	183 Å²	183	148 Å²	148	86%	0.855	75%	0.752	S	S	*	*			trans	-67.4	131.8	158.1	-61.1	-171.2	140.3	0	0	109.9	L26	L26-E28 VanDerWaalsContact C-N 3.33Å; L26-E28 PolarHBondContact O-N 3.44Å
29	G	24.6	Very low	28.8	Very low	68 Å²	68	148.1 Å²	148.1	70%	0.701	76%	0.756	S	S	*	*			trans	74.5	121.1	165.1	0	0	0	0	0	117.9
30	I	27	Very low	28.8	Very low	177 Å²	177	147.1 Å²	147.1	91%	0.908	76%	0.757	S	S	*	*				-170.2	147.9	127.2	-97.5	155.5	0	0	0	107.8
31	Q	24.8	Very low	28.6	Very low	180 Å²	180	146.6 Å²	146.6	84%	0.841	76%	0.762	S	S	*	*			trans	-92.1	152.5	-160.7	-67.9	167	-47.3	0	0	115
32	T	24.1	Very low	28.1	Very low	127 Å²	127	143.1 Å²	143.1	78%	0.779	76%	0.756	S	S	*	*			trans	-5.3	139.7	156.4	55.7	0	0	0	0	120.1
33	T	27.7	Very low	27.7	Very low	148 Å²	148	143.5 Å²	143.5	91%	0.908	76%	0.762	S	S	*	*				-155.9	151.6	124.2	3.2	0	0	0	0	111.1
34	L	29.8	Very low	27.3	Very low	154 Å²	154	144.4 Å²	144.4	81%	0.806	77%	0.77	S	S	*	*			trans	-141	155.4	-177.8	-163.4	88.7	0	0	0	108.8
35	P	29.6	Very low	27.1	Very low	121 Å²	121	141.1 Å²	141.1	79%	0.786	77%	0.765	S	S	*	*			trans	-128.1	105.8	151.5	31.2	-15.9	0	0	0	113.4
36	L	26.4	Very low	27.1	Very low	138 Å²	138	142.7 Å²	142.7	72%	0.723	77%	0.767	S	S	*	*			trans	16.3	133	133.8	-59.8	166.7	0	0	0	120
37	L	28.9	Very low	27.3	Very low	180 Å²	180	140.5 Å²	140.5	94%	0.942	76%	0.757	S	S	*	*				-143.9	171.7	111.8	-137.6	72.2	0	0	0	110.4
38	H	25.9	Very low	27.3	Very low	156 Å²	156	137.3 Å²	137.3	72%	0.722	75%	0.749	S	S	*	*			trans	-137.6	-176.7	-152.8	-150.8	73.6	0	0	0	113.8
39	N	30.1	Very low	27.4	Very low	115 Å²	115	136 Å²	136	62%	0.615	74%	0.743	S	S	*	*			trans	89.9	139.1	172.5	-57.4	-17	0	0	0	116.1
40	H	29.8	Very low	27.3	Very low	143 Å²	143	141 Å²	141	66%	0.662	75%	0.752	S	S	*	*			cis	-160	145.2	-0.9	-111.6	-21.4	0	0	0	111.9
41	I	25.8	Very low	27.2	Very low	134 Å²	134	136.8 Å²	136.8	69%	0.687	74%	0.739	S	S	*	*			trans	55.8	133.8	133.9	-65.5	172.5	0	0	0	119.5
42	T	26.5	Very low	27.3	Very low	101 Å²	101	137.5 Å²	137.5	62%	0.62	74%	0.735	S	S	*	*			cis	-169.6	151.5	-9.5	31.1	0	0	0	0	110
43	N	25.8	Very low	27.3	Very low	145 Å²	145	137.8 Å²	137.8	78%	0.775	73%	0.731	S	S	*	*			trans	60.2	149.4	146.4	-55.6	-7.1	0	0	0	119.5
44	N	26.8	Very low	27.3	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	73%	0.727	S	S	*	*			cis	-148	156.7	1.1	-151.6	2.5	0	0	0	113.2
45	S	25.8	Very low	27.1	Very low	76 Å²	76	136.8 Å²	136.8	53%	0.531	72%	0.721	S	S	.	*			trans	14.8	118.7	156.4	62	0	0	0	0	121.4
46	N	29.3	Very low	27	Very low	138 Å²	138	140.4 Å²	140.4	74%	0.738	73%	0.73	S	S	*	*				-178.9	117.4	100.5	-91.5	-29.6	0	0	0	115.3
47	N	30	Very low	27	Very low	122 Å²	122	139.3 Å²	139.3	65%	0.652	73%	0.725	S	S	*	*			trans	60.6	105.9	139	-56.3	-19.1	0	0	0	123.2
48	N	28.6	Very low	27	Very low	137 Å²	137	140.4 Å²	140.4	73%	0.733	73%	0.725	S	S	*	*				71.6	148.7	117.4	-55	-12.7	0	0	0	120.2
49	H	27.4	Very low	26.9	Very low	154 Å²	154	140.3 Å²	140.3	71%	0.713	73%	0.725	S	S	*	*			cis	-149.4	128.2	7.3	-142.2	-71.5	0	0	0	109.8
50	L	23.7	Very low	26.7	Very low	173 Å²	173	140 Å²	140	91%	0.906	73%	0.732	S	S	*	*			trans	-156.8	57.8	173.9	-159.6	82	0	0	0	115.3
51	S	24.5	Very low	26.7	Very low	89 Å²	89	140.3 Å²	140.3	62%	0.622	74%	0.739	S	S	*	*			trans	-170.8	135.7	156.4	47.6	0	0	0	0	113.1
52	Y	26	Very low	26.6	Very low	196 Å²	196	141.7 Å²	141.7	77%	0.769	75%	0.746	S	S	*	*			trans	-173.3	115.2	162.3	-133.3	-105.2	0	0	0	103.2	M54	Y52-M54 HydrophobicContact CD1-CG 4.25Å; Y52-M54 HydrophobicContact CE1-CG 3.91Å
53	I	24.2	Very low	26.7	Very low	132 Å²	132	144.6 Å²	144.6	68%	0.677	76%	0.758	S	S	*	*			cis	63.8	87.6	29.8	-46.8	-177.3	0	0	0	112.9
54	M	28	Very low	26.7	Very low	170 Å²	170	141.8 Å²	141.8	84%	0.837	75%	0.75	S	S	*	*			trans	-129.7	131.7	134.6	-88.1	-164.5	138.2	0	0	109.5	Y52	Y52-M54 HydrophobicContact CD1-CG 4.25Å; Y52-M54 HydrophobicContact CE1-CG 3.91Å
55	T	25.3	Very low	26.7	Very low	111 Å²	111	141.4 Å²	141.4	68%	0.681	75%	0.748	S	S	*	*			trans	-92.9	145.4	174.5	47	0	0	0	0	110.2
56	M	28.4	Very low	26.6	Very low	197 Å²	197	146.9 Å²	146.9	97%	0.97	76%	0.762	S	S	*	*			trans	-121.6	137.9	137.5	-82.6	-63	175.1	0	0	107.9
57	N	25.6	Very low	26.5	Very low	115 Å²	115	148.3 Å²	148.3	62%	0.615	76%	0.762	S	S	*	*			trans	-147.2	117.1	-169.5	168.9	75.5	0	0	0	107.4
58	E	29	Very low	26.1	Very low	203 Å²	203	147.6 Å²	147.6	95%	0.949	77%	0.765	S	S	*	*			trans	-134	118.4	172	-130.5	165.6	-139.5	0	0	109.2
59	Q	24.9	Very low	25.9	Very low	155 Å²	155	147.6 Å²	147.6	72%	0.724	76%	0.761	S	S	*	*			trans	-111.4	143	-179.7	-58	166.6	-75	0	0	107.5
60	S	26.2	Very low	25.8	Very low	107 Å²	107	147.9 Å²	147.9	75%	0.748	76%	0.762	S	S	*	*			trans	-172.6	152	134.4	41.5	0	0	0	0	113.8
61	N	28.3	Very low	25.8	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	75%	0.751	S	S	*	*			trans	61.3	88.5	151.5	-59.3	-13.9	0	0	0	119.1
62	L	23.8	Very low	25.9	Very low	162 Å²	162	148 Å²	148	85%	0.848	76%	0.763	S	S	*	*				-40.4	139.2	129.8	-66.2	137.4	0	0	0	111.4
63	N	29.7	Very low	25.9	Very low	162 Å²	162	141.7 Å²	141.7	87%	0.866	76%	0.757	S	S	*	*				-164.8	153.9	122.9	-102.6	-28.2	0	0	0	113.4
64	S	24.7	Very low	26	Very low	86 Å²	86	145 Å²	145	60%	0.601	77%	0.77	S	S	*	*			trans	-66.7	146.8	180	52.2	0	0	0	0	114.5
65	N	28.3	Very low	26	Very low	134 Å²	134	142.9 Å²	142.9	72%	0.717	77%	0.769	S	S	*	*				176.2	139.3	103.1	-89.4	-39.8	0	0	0	115.7
66	F	23.8	Very low	26.2	Very low	191 Å²	191	141.3 Å²	141.3	84%	0.838	77%	0.774	S	S	*	*			trans	38.4	144.7	142.2	-83	-91.6	0	0	0	125.8
67	K	26.9	Very low	26	Very low	168 Å²	168	141.5 Å²	141.5	73%	0.73	77%	0.766	S	S	*	*			trans	67.7	116.3	157.8	-79.4	-166.4	162.4	-142.6	0	117.8	E69	K67-E69 IonicContact NZ-OE2 2.68Å
68	C	21.8	Very low	26.2	Very low	106 Å²	106	141.2 Å²	141.2	72%	0.716	77%	0.77	S	S	*	*				70.1	137.1	57	-149.4	0	0	0	0	113.9
69	E	24.4	Very low	26	Very low	138 Å²	138	139.2 Å²	139.2	65%	0.645	77%	0.765	S	S	*	*			trans	72	143	171.9	-62.8	157.4	156	0	0	115.8	K67	K67-E69 IonicContact NZ-OE2 2.68Å
70	Q	25.4	Very low	26.2	Very low	159 Å²	159	139.9 Å²	139.9	74%	0.743	77%	0.772	S	S	*	*			cis	-162.1	147.1	-10.4	-123.1	169.1	12.6	0	0	111.6
71	S	23.6	Very low	26.2	Very low	96 Å²	96	143.1 Å²	143.1	67%	0.671	78%	0.775	S	S	*	*			trans	53.1	174.4	145.3	67.2	0	0	0	0	123.1
72	I	25.7	Very low	26.1	Very low	170 Å²	170	142.9 Å²	142.9	87%	0.872	77%	0.774	S	S	*	*			trans	77.7	120.3	165.8	-54	162.8	0	0	0	117.9
73	G	26.7	Very low	26.5	Very low	63 Å²	63	143.5 Å²	143.5	65%	0.649	77%	0.773	S	S	*	*				129.9	39.3	118.6	0	0	0	0	0	124.2
74	Q	26.6	Very low	26.4	Very low	201 Å²	201	144 Å²	144	94%	0.939	77%	0.767	S	S	*	*			trans	62.4	169	152.1	-78.1	-161.3	-4.5	0	0	119.6
75	P	27.7	Very low	26.5	Very low	126 Å²	126	146.1 Å²	146.1	82%	0.818	77%	0.771	S	S	*	*			trans	-103.5	155.6	-164.7	38.3	-33.2	0	0	0	115.3
76	G	29.1	Very low	26.4	Very low	77 Å²	77	145.1 Å²	145.1	79%	0.794	77%	0.774	S	S	*	*			trans	-164.3	121.2	171.4	0	0	0	0	0	115.2
77	Y	24.5	Very low	26.7	Very low	201 Å²	201	140.7 Å²	140.7	79%	0.788	77%	0.767	S	S	*	*			trans	-83.5	167.4	150.8	-75.3	-95.9	0	0	0	108.1	Y1009	Y77-Y1009 PolarHBondContact OH-OH 2.95Å
78	P	30.3	Very low	26.7	Very low	110 Å²	110	140.3 Å²	140.3	71%	0.714	77%	0.772	S	S	*	*			cis	-142.3	-178.3	20	44.3	-25.4	0	0	0	117.5
79	L	24	Very low	26.9	Very low	160 Å²	160	139.3 Å²	139.3	84%	0.838	77%	0.767	S	S	*	*			trans	17.5	131.7	143.6	-63.3	166.4	0	0	0	121.9
80	I	28.6	Very low	27.1	Very low	170 Å²	170	138.4 Å²	138.4	87%	0.872	78%	0.775	S	S	*	*			trans	-169.6	149.8	142.5	-90.9	143.2	0	0	0	106.2
81	E	26.5	Very low	27.4	Very low	174 Å²	174	136.2 Å²	136.2	81%	0.813	78%	0.777	S	S	*	*			cis	-159.6	157.5	-45	-177.7	169.9	179.2	0	0	106.3
82	N	27.1	Very low	27.6	Very low	147 Å²	147	136.7 Å²	136.7	79%	0.786	78%	0.781	S	S	*	*			trans	-62.9	148.1	-177	-56.9	-78.2	0	0	0	114.9
83	Q	31.4	Very low	28	Very low	175 Å²	175	134 Å²	134	82%	0.818	78%	0.777	S	S	*	*			trans	-147.6	120.8	142.9	-76	-153	1.1	0	0	114.7
84	F	28	Very low	28.1	Very low	171 Å²	171	136 Å²	136	75%	0.75	78%	0.781	S	S	*	*			trans	52.2	157.1	141.3	-70.7	-103.6	0	0	0	122.8
85	I	26.1	Very low	28.3	Very low	132 Å²	132	135.9 Å²	135.9	68%	0.677	78%	0.778	S	S	*	*			cis	179.8	135.2	-44.1	-108.7	165.6	0	0	0	109
86	S	26.6	Very low	28.3	Very low	113 Å²	113	135 Å²	135	79%	0.79	77%	0.77	S	S	*	*			trans	58.6	163.1	164.3	-60.5	0	0	0	0	118
87	S	29.2	Very low	28.3	Very low	98 Å²	98	139 Å²	139	69%	0.685	77%	0.773	S	S	*	*			cis	-165	151.9	29.9	50.7	0	0	0	0	114.2
88	L	26.8	Very low	28.4	Very low	159 Å²	159	132.9 Å²	132.9	83%	0.832	76%	0.763	S	S	*	*			trans	44.6	163	144.1	-77	84.7	0	0	0	122.4
89	S	26.7	Very low	28.3	Very low	86 Å²	86	133.5 Å²	133.5	60%	0.601	77%	0.765	S	S	*	*			cis	179.6	151.6	-36.8	60.6	0	0	0	0	110.5
90	S	28.5	Very low	28.8	Very low	119 Å²	119	131 Å²	131	83%	0.832	76%	0.761	S	S	*	*			trans	67.4	166.8	168.7	84.4	0	0	0	0	116.5
91	S	31.5	Very low	29	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	75%	0.752	S	S	*	*			cis	-147.7	158.4	7	63.3	0	0	0	0	114.6
92	S	28.4	Very low	29.2	Very low	106 Å²	106	125.5 Å²	125.5	74%	0.741	75%	0.751	S	S	*	*			trans	-76.6	148	-175	50.3	0	0	0	0	118.6
93	S	33	Very low	29.5	Very low	114 Å²	114	122.9 Å²	122.9	80%	0.797	74%	0.744	S	S	*	*			trans	175.4	133.8	138.2	36.9	0	0	0	0	109.1
94	S	30.2	Very low	29.6	Very low	104 Å²	104	119.5 Å²	119.5	73%	0.727	74%	0.74	S	S	*	*			cis	81.6	105.8	42.7	-62	0	0	0	0	114.6
95	F	29.4	Very low	29.9	Very low	200 Å²	200	116.9 Å²	116.9	88%	0.877	74%	0.743	S	S	*	*				-175.5	179.7	115.5	-107.6	-76.6	0	0	0	112.4
96	T	28.4	Very low	30.1	Very low	108 Å²	108	114.7 Å²	114.7	66%	0.663	74%	0.744	S	S	*	*			trans	-137.1	-174.6	-155.6	49.8	0	0	0	0	113.4
97	L	28.2	Very low	30.3	Very low	161 Å²	161	114 Å²	114	84%	0.843	74%	0.74	S	S	*	*			trans	80.9	147.7	164.9	-59.4	145.9	0	0	0	116.1
98	A	28.2	Very low	30.4	Very low	71 Å²	71	115.2 Å²	115.2	59%	0.587	75%	0.748	S	S	*	*			cis	-166.1	158.3	-14	0	0	0	0	0	114.7
99	T	27.6	Very low	30.5	Very low	124 Å²	124	111.7 Å²	111.7	76%	0.761	74%	0.742	S	S	*	*			trans	61.5	140.7	142.1	49.3	0	0	0	0	124
100	S	33.5	Very low	30.5	Very low	107 Å²	107	112.4 Å²	112.4	75%	0.748	75%	0.753	S	S	*	*			trans	75.9	144.2	137.5	62.2	0	0	0	0	120.3
101	S	33.8	Very low	30.5	Very low	96 Å²	96	111.5 Å²	111.5	67%	0.671	75%	0.747	S	S	*	*			cis	-172.1	164.2	-16.3	48.8	0	0	0	0	111.3
102	V	31.3	Very low	30.4	Very low	132 Å²	132	112.2 Å²	112.2	80%	0.8	75%	0.746	S	S	*	*			trans	54.6	154.5	157.3	-66.5	0	0	0	0	120.2
103	S	32.7	Very low	30.3	Very low	92 Å²	92	111.5 Å²	111.5	64%	0.643	75%	0.747	S	S	*	*			cis	-171	171.2	-28.6	57.3	0	0	0	0	109
104	S	33.9	Very low	30.1	Very low	105 Å²	105	110.8 Å²	110.8	73%	0.734	74%	0.742	S	S	*	*			trans	62.5	147.1	151.2	44.6	0	0	0	0	119.3
105	S	33.3	Very low	29.9	Very low	115 Å²	115	110.7 Å²	110.7	80%	0.804	74%	0.741	S	S	*	*			cis	-165	178.8	-10.5	45.8	0	0	0	0	110.8
106	A	30.9	Very low	30	Very low	86 Å²	86	106.4 Å²	106.4	71%	0.711	74%	0.736	S	S	*	*			trans	-48.1	173.1	172.2	0	0	0	0	0	115.1
107	S	31.7	Very low	29.9	Very low	100 Å²	100	107 Å²	107	70%	0.699	74%	0.744	S	S	*	*			cis	-168.6	162.2	32.9	-31.8	0	0	0	0	113.1
108	S	30.9	Very low	30.1	Very low	123 Å²	123	105.3 Å²	105.3	86%	0.86	75%	0.746	S	S	*	*			trans	60.9	169.9	141.9	-58.7	0	0	0	0	119.8
109	A	28.3	Very low	29.9	Very low	85 Å²	85	107.2 Å²	107.2	70%	0.702	76%	0.755	S	S	*	*			cis	-170.4	158	-41.7	0	0	0	0	0	108
110	A	27.4	Very low	29.8	Very low	100 Å²	100	109.2 Å²	109.2	83%	0.826	76%	0.76	S	S	*	*			trans	65.7	162.4	164.7	0	0	0	0	0	115.9
111	S	28.9	Very low	29.4	Very low	101 Å²	101	108.3 Å²	108.3	71%	0.706	75%	0.754	S	S	*	*			cis	-174.4	169.9	-19.8	47.6	0	0	0	0	110.3
112	V	28	Very low	28.9	Very low	127 Å²	127	110.9 Å²	110.9	77%	0.77	76%	0.759	S	S	*	*			trans	70.9	117.7	167.4	-167.3	0	0	0	0	113.1
113	A	26.7	Very low	28.7	Very low	91 Å²	91	113.5 Å²	113.5	75%	0.752	76%	0.762	S	S	*	*				58.4	149.6	81.5	0	0	0	0	0	114.4
114	S	27.8	Very low	28.4	Very low	99 Å²	99	116 Å²	116	69%	0.692	77%	0.766	S	S	*	*			cis	-163.2	171.7	16.5	57.1	0	0	0	0	113.9
115	S	27.5	Very low	28	Very low	102 Å²	102	116.7 Å²	116.7	71%	0.713	77%	0.769	S	S	*	*			trans	74.3	160.1	141.7	73.6	0	0	0	0	122.3
116	S	32.1	Very low	27.5	Very low	109 Å²	109	118 Å²	118	76%	0.762	77%	0.765	S	S	*	*			trans	65.3	123.7	-179.1	72.1	0	0	0	0	116.8
117	S	26	Very low	27.3	Very low	120 Å²	120	119.8 Å²	119.8	84%	0.839	77%	0.767	S	S	*	*			cis	84.2	93.1	8.1	96.1	0	0	0	0	118.3
118	S	31	Very low	27.1	Very low	126 Å²	126	122.2 Å²	122.2	88%	0.881	77%	0.772	S	S	*	*			trans	-151.6	134.2	154.5	46.6	0	0	0	0	110.8
119	S	24.5	Very low	26.7	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	76%	0.761	S	S	*	*			trans	-98.3	174.1	173.2	52.6	0	0	0	0	110.8
120	L	26.5	Very low	26.8	Very low	166 Å²	166	127.2 Å²	127.2	87%	0.869	77%	0.772	S	S	*	*			trans	128.2	143	172.8	-72.1	157.1	0	0	0	109.9
121	S	24.2	Very low	26.6	Very low	88 Å²	88	128.9 Å²	128.9	62%	0.615	76%	0.761	S	S	*	*			cis	-163.7	145.5	-20.1	-117.8	0	0	0	0	112.5
122	I	23.7	Very low	26.4	Very low	151 Å²	151	135.3 Å²	135.3	77%	0.774	77%	0.771	S	S	*	*			trans	27.9	116.8	140.8	-46.4	166.7	0	0	0	119.1
123	Q	27.5	Very low	26.3	Very low	187 Å²	187	133.7 Å²	133.7	87%	0.874	77%	0.766	S	S	*	*				-173.3	151.2	120.6	-103.3	175.2	13.3	0	0	113.1
124	I	24.9	Very low	26.4	Very low	143 Å²	143	136.7 Å²	136.7	73%	0.733	77%	0.769	S	S	*	*			trans	-144.7	136.3	-178.7	-49.3	173.4	0	0	0	110	I126	I124-I126 HydrophobicContact CG2-CG1 4.16Å
125	P	26.7	Very low	26.5	Very low	120 Å²	120	138.9 Å²	138.9	78%	0.779	77%	0.768	S	S	*	*			trans	-118.3	130.2	140.9	34	-24.3	0	0	0	109.5
126	I	23.1	Very low	26.6	Very low	142 Å²	142	141.1 Å²	141.1	73%	0.728	77%	0.771	S	S	*	*			cis	67	143.9	40.9	-52.4	-176.8	0	0	0	112.2	I124	I124-I126 HydrophobicContact CG2-CG1 4.16Å
127	V	26.3	Very low	26.7	Very low	124 Å²	124	142 Å²	142	75%	0.752	77%	0.768	S	S	*	*			trans	83.6	118	-172.7	-173.2	0	0	0	0	112.5
128	N	27.8	Very low	26.7	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	76%	0.759	S	S	*	*			cis	-148.2	159.1	-2.1	-116.4	-1.7	0	0	0	112.3
129	E	22.9	Very low	26.8	Very low	134 Å²	134	143.7 Å²	143.7	63%	0.626	74%	0.744	S	S	*	*			trans	-77.4	157.7	170.4	-67.2	-171.2	147.5	0	0	113	K131	E129-K131 WeakPolarHBondContact OE1-CE 3.15Å; E129-K131 IonicContact OE1-NZ 3.66Å; E129-K131 PolarHBondContact OE1-NZ 3.47Å; E129-K131 IonicContact OE2-NZ 2.63Å; E129-K131 PolarHBondContact OE2-NZ 3.39Å
130	L	28.5	Very low	27.2	Very low	178 Å²	178	145.6 Å²	145.6	93%	0.932	74%	0.741	S	S	*	*			trans	-142	112.1	135.3	-108.6	169.8	0	0	0	109.6
131	K	23.8	Very low	27.3	Very low	135 Å²	135	144.5 Å²	144.5	59%	0.587	73%	0.731	S	S	*	*			trans	-77.2	152.6	177.9	-64.7	-176.8	169.3	79.4	0	111.2	E129	E129-K131 WeakPolarHBondContact OE1-CE 3.15Å; E129-K131 IonicContact OE1-NZ 3.66Å; E129-K131 PolarHBondContact OE1-NZ 3.47Å; E129-K131 IonicContact OE2-NZ 2.63Å; E129-K131 PolarHBondContact OE2-NZ 3.39Å
132	Y	25.9	Very low	27.7	Very low	236 Å²	236	147 Å²	147	93%	0.925	73%	0.731	S	S	*	*				-151.4	143.9	124.8	-107.1	-71.6	0	0	0	111.3
133	S	24.2	Very low	28	Very low	94 Å²	94	145.9 Å²	145.9	66%	0.657	73%	0.727	S	S	*	*			trans	-75.9	157.8	-173.8	-54.4	0	0	0	0	113.5
134	N	28.6	Very low	28.2	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	72%	0.719	S	S	*	*			trans	165	51.9	135.5	-81.9	-12.2	0	0	0	113
135	H	30.6	Very low	28.5	Very low	144 Å²	144	143 Å²	143	67%	0.667	72%	0.722	S	S	*	*			trans	-141.9	17.4	-179.4	-136	-69.4	0	0	0	117
136	L	30.6	Very low	28.5	Very low	149 Å²	149	144.6 Å²	144.6	78%	0.78	72%	0.721	S	S	*	*	S	Bend	trans	-90.2	-35.8	178.7	-126.6	70.2	0	0	0	113.6	Y138	L136-Y138 VanDerWaalsContact C-N 3.34Å; L136-Y138 PolarHBondContact O-N 3.05Å
137	D	32.8	Very low	28.8	Very low	129 Å²	129	147.5 Å²	147.5	69%	0.69	73%	0.728	S	S	*	*	H	α-helix	trans	-70.5	-27.1	-174.2	-59.9	-48.7	0	0	0	113.9	I139 Q140	D137-I139 PolarHBondContact O-N 3.49Å; D137-I139 VanDerWaalsContact O-N 3.15Å; D137-Q140 PolarHBondContact O-N 2.97Å
138	Y	27.6	Very low	28.9	Very low	169 Å²	169	146.7 Å²	146.7	66%	0.663	73%	0.728	S	S	*	*	H	α-helix	trans	-65.1	-21.3	-176.7	-146.9	-92	0	0	0	113.3	L136	L136-Y138 VanDerWaalsContact C-N 3.34Å; L136-Y138 PolarHBondContact O-N 3.05Å
139	I	31.5	Very low	28.9	Very low	111 Å²	111	145.3 Å²	145.3	57%	0.569	73%	0.727	S	S	*	*	H	α-helix	trans	-88.5	-25.2	-177.5	-65.2	173.9	0	0	0	111.7	D137 N143	D137-I139 PolarHBondContact O-N 3.49Å; D137-I139 VanDerWaalsContact O-N 3.15Å; I139-N143 PolarHBondContact O-ND2 3.37Å
140	Q	33.6	Very low	29.2	Very low	151 Å²	151	146 Å²	146	71%	0.706	73%	0.732	S	S	*	*	H	α-helix	trans	-78.6	-34.9	177.2	-66.6	-169.2	-4.4	0	0	112.5	D137 F142	D137-Q140 PolarHBondContact O-N 2.97Å; Q140-F142 PolarHBondContact O-N 3.32Å
141	H	29.3	Very low	29.1	Very low	144 Å²	144	148 Å²	148	67%	0.667	73%	0.729	S	S	*	*	H	α-helix	trans	-71.5	-29.7	179.6	-159.8	-43.7	0	0	0	113.2
142	F	30.9	Very low	29.2	Very low	139 Å²	139	148.4 Å²	148.4	61%	0.61	74%	0.738	S	S	*	*	H	α-helix	trans	-74.5	-28.2	-176.3	-134.6	-90.5	0	0	0	113.5	Q140 S144	Q140-F142 PolarHBondContact O-N 3.32Å; F142-S144 PolarHBondContact O-N 3.44Å
143	N	30.7	Very low	29.3	Very low	128 Å²	128	144.4 Å²	144.4	68%	0.684	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-3	-176.9	-79.4	-66.5	0	0	0	114.6	I139	I139-N143 PolarHBondContact O-ND2 3.37Å
144	S	31.7	Very low	29.4	Very low	102 Å²	102	148.6 Å²	148.6	71%	0.713	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-1	-176.7	-67.7	0	0	0	0	115.4	F142	F142-S144 PolarHBondContact O-N 3.44Å
145	Q	31.9	Very low	29.4	Very low	168 Å²	168	147.1 Å²	147.1	79%	0.785	74%	0.736	S	S	*	*	S	Bend	trans	-118.7	7.9	-179.3	-66.8	-162.9	31.5	0	0	115.4
146	M	26.9	Very low	29.1	Very low	154 Å²	154	146.3 Å²	146.3	76%	0.759	74%	0.741	S	S	*	*			trans	-114.6	82.5	177	-65.4	-147.2	-175.1	0	0	113
147	K	29.1	Very low	29	Very low	202 Å²	202	144.4 Å²	144.4	88%	0.878	74%	0.74	S	S	*	*			trans	-133.5	103.8	158.8	-81.5	-167.4	172.6	-179.2	0	111.9
148	S	28.4	Very low	28.7	Very low	107 Å²	107	144.5 Å²	144.5	75%	0.748	74%	0.739	S	S	*	*			trans	55.6	113.6	152.5	-50.2	0	0	0	0	120.6
149	P	27.9	Very low	28.6	Very low	123 Å²	123	146 Å²	146	80%	0.799	75%	0.745	S	S	*	*			trans	-85.6	106.3	132.8	32.6	-23.6	0	0	0	109
150	M	28	Very low	28.5	Very low	148 Å²	148	147.3 Å²	147.3	73%	0.729	75%	0.748	S	S	*	*			trans	-81.3	133.3	174	-156.8	171.7	86.5	0	0	109.7	D152	M150-D152 PolarHBondContact O-N 3.33Å
151	Y	26.8	Very low	28.3	Very low	221 Å²	221	146.4 Å²	146.4	87%	0.867	74%	0.744	S	S	*	*			trans	-81.7	110.2	168	-83	-99.3	0	0	0	108.6
152	D	26.9	Very low	28.3	Very low	144 Å²	144	146.4 Å²	146.4	77%	0.77	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-84.6	128.2	166.5	-97.8	-43.3	0	0	0	110.7	M150	M150-D152 PolarHBondContact O-N 3.33Å
153	I	27.5	Very low	28.5	Very low	152 Å²	152	143.7 Å²	143.7	78%	0.779	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-93.7	133.6	-174.3	-64.8	170.3	0	0	0	108.9	P155	I153-P155 WeakPolarHBondContact O-CD 3.4Å
154	K	26.5	Very low	28.5	Very low	182 Å²	182	143.3 Å²	143.3	79%	0.791	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-67.3	127.4	173.5	-67	-179.1	179.6	179.1	0	110.3
155	P	27.5	Very low	28.6	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-77	133.9	167.3	30.8	-32.5	0	0	0	110.8	I153	I153-P155 WeakPolarHBondContact O-CD 3.4Å
156	T	25.2	Very low	28.6	Very low	126 Å²	126	144.1 Å²	144.1	77%	0.773	75%	0.747	S	S	*	*			trans	-135	89.2	174.1	50.4	0	0	0	0	111.4
157	S	27.8	Very low	28.6	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	75%	0.745	S	S	*	*			trans	-165.6	156.6	168.5	48.2	0	0	0	0	108.6
158	I	27	Very low	28.7	Very low	131 Å²	131	138.3 Å²	138.3	67%	0.672	74%	0.74	S	S	*	*			cis	162.8	137.8	-26.5	-98.3	160.2	0	0	0	103.8
159	Y	26.2	Very low	28.8	Very low	201 Å²	201	139.6 Å²	139.6	79%	0.788	74%	0.739	S	S	*	*			trans	66.4	155.4	177.2	-63.3	-43.8	0	0	0	118
160	H	28.8	Very low	29	Very low	138 Å²	138	140.6 Å²	140.6	64%	0.639	74%	0.737	S	S	*	*			cis	-154.9	155.5	-2.9	-114.9	-49.7	0	0	0	112.2
161	H	28.8	Very low	29.1	Very low	132 Å²	132	141 Å²	141	61%	0.611	74%	0.742	S	S	*	*			trans	61	133	150.5	-75.3	-69.3	0	0	0	126.8
162	H	30.9	Very low	29.4	Very low	144 Å²	144	134 Å²	134	67%	0.667	74%	0.738	S	S	*	*			trans	56.1	148.1	145.7	-63.1	-54.8	0	0	0	122.5	L210	H162-L210 WeakPolarHBondContact O-CD2 3.21Å
163	S	33.8	Very low	29.7	Very low	83 Å²	83	133.7 Å²	133.7	58%	0.58	74%	0.736	S	S	*	*			cis	-170.5	145.3	-15.9	50.2	0	0	0	0	113.5
164	N	30.2	Very low	29.9	Very low	119 Å²	119	133.8 Å²	133.8	64%	0.636	74%	0.738	S	S	*	*			trans	33.4	122.2	149.2	-55.2	8.7	0	0	0	122.2
165	N	33.8	Very low	30.2	Very low	156 Å²	156	130.6 Å²	130.6	83%	0.834	74%	0.739	S	S	*	*				-179.2	159.7	96.2	-100.2	-17.4	0	0	0	115
166	T	32.5	Very low	30.3	Very low	132 Å²	132	133.9 Å²	133.9	81%	0.81	74%	0.741	S	S	*	*			trans	-80.3	177.1	170.9	51.3	0	0	0	0	110.8
167	C	27.7	Very low	30.6	Very low	105 Å²	105	137.5 Å²	137.5	71%	0.709	75%	0.746	S	S	*	*			cis	-168.9	151.9	34.2	55.5	0	0	0	0	116
168	V	31.4	Very low	30.8	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	75%	0.745	S	S	*	*			trans	67.9	127.9	135	174.8	0	0	0	0	123.1
169	N	30.1	Very low	31	Very low	134 Å²	134	140.4 Å²	140.4	72%	0.717	75%	0.754	S	S	*	*			trans	0.9	140.1	153.6	-58	-0.6	0	0	0	121.8
170	N	32.1	Very low	31.3	Very low	145 Å²	145	136.8 Å²	136.8	78%	0.775	75%	0.754	S	S	*	*				-166.8	165.6	93.6	-102.7	-50.6	0	0	0	116
171	N	30.4	Very low	31.7	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	76%	0.756	S	S	*	*			trans	-70.3	160.4	-171.4	-59.8	-38.6	0	0	0	115
172	G	31.8	Very low	31.7	Very low	76 Å²	76	136.7 Å²	136.7	78%	0.784	77%	0.769	S	S	*	*			trans	-172	44.6	-178.9	0	0	0	0	0	119.6
173	N	33.2	Very low	31.7	Very low	137 Å²	137	133.7 Å²	133.7	73%	0.733	78%	0.777	S	S	*	*			trans	19.1	141.6	155.9	-63.1	-5.6	0	0	0	123.5
174	N	31.8	Very low	31.3	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	79%	0.787	S	S	*	*			trans	74.6	151.2	147.4	-64.3	-14.5	0	0	0	118.7
175	S	33.4	Very low	31.4	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	80%	0.801	S	S	*	*			cis	-153.4	167.9	0	32.6	0	0	0	0	113.6
176	K	29	Very low	30.9	Very low	192 Å²	192	133.8 Å²	133.8	84%	0.835	79%	0.793	S	S	*	*			trans	-59.2	152.3	178.4	-53.5	169.2	179.5	177.5	0	114.9
177	F	31.1	Very low	30.7	Very low	202 Å²	202	135.5 Å²	135.5	89%	0.886	80%	0.796	S	S	*	*			trans	-176.5	103.3	132.9	-99.2	-74.5	0	0	0	107.4
178	S	32.4	Very low	30.6	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	79%	0.793	S	S	*	*				93.8	133.4	79.6	-65.6	0	0	0	0	114.5
179	K	31.5	Very low	30.3	Very low	196 Å²	196	140 Å²	140	85%	0.852	80%	0.798	S	S	*	*			trans	-77.2	168.9	176.3	-58.7	174.3	176.5	170.1	0	111.5
180	P	33.6	Very low	30.2	Very low	124 Å²	124	137.4 Å²	137.4	81%	0.805	80%	0.803	S	S	*	*				-140.8	171.5	85.7	34.2	-16.8	0	0	0	115.4
181	P	36.4	Very low	29.9	Very low	103 Å²	103	135.2 Å²	135.2	67%	0.669	80%	0.799	S	S	*	*			trans	-112.3	-164.3	-176.2	43	-33.8	0	0	0	114.5
182	N	29.1	Very low	29.6	Very low	165 Å²	165	134.9 Å²	134.9	88%	0.882	80%	0.795	S	S	*	*			trans	91.2	138.5	169.8	-56.2	-19.5	0	0	0	116.9
183	G	31.4	Very low	29.5	Very low	82 Å²	82	139 Å²	139	85%	0.845	79%	0.794	S	S	*	*			trans	157.6	81.8	-177.1	0	0	0	0	0	113.2
184	S	25.8	Very low	29	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	80%	0.796	S	S	*	*			trans	-90.3	138.7	179.6	56.2	0	0	0	0	113.1
185	T	30.4	Very low	28.9	Very low	150 Å²	150	138.2 Å²	138.2	92%	0.92	80%	0.8	S	S	*	*			trans	-156.1	140.8	143.6	15.5	0	0	0	0	112.1
186	S	24	Very low	28.6	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	80%	0.802	S	S	*	*			trans	-83.6	151.5	162.2	174.6	0	0	0	0	109.6
187	L	29.2	Very low	28.6	Very low	168 Å²	168	137 Å²	137	88%	0.88	80%	0.803	S	S	*	*			trans	-159	165.3	139.8	-110.9	169.5	0	0	0	111.5
188	T	25.4	Very low	28.6	Very low	103 Å²	103	136.4 Å²	136.4	63%	0.632	80%	0.8	S	S	*	*			trans	-141.5	154.2	-151.1	45.8	0	0	0	0	114.4
189	Y	24.1	Very low	28.4	Very low	226 Å²	226	138.9 Å²	138.9	89%	0.886	80%	0.797	S	S	*	*			trans	70.1	146	162.4	-93.7	-113.3	0	0	0	117.8
190	G	28.7	Very low	28.4	Very low	79 Å²	79	134.4 Å²	134.4	81%	0.814	79%	0.79	S	S	*	*			trans	160.1	78	-176.8	0	0	0	0	0	111.3
191	S	25	Very low	28.3	Very low	99 Å²	99	133 Å²	133	69%	0.692	79%	0.79	S	S	*	*			trans	-88.2	173.8	-179.2	-59.9	0	0	0	0	112.5
192	I	25.8	Very low	28	Very low	147 Å²	147	134.3 Å²	134.3	75%	0.754	79%	0.79	S	S	*	*			trans	114.5	124	153.1	-63.7	170.2	0	0	0	117.3
193	E	27.8	Very low	28	Very low	162 Å²	162	133.4 Å²	133.4	76%	0.757	78%	0.784	S	S	*	*			trans	48.4	97.1	153.8	-70.8	150.7	-142.3	0	0	123.9
194	T	24.2	Very low	28	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	77%	0.774	S	S	*	*				26.4	113.9	112.3	57.1	0	0	0	0	121.2
195	V	29.6	Very low	28.5	Very low	149 Å²	149	135.9 Å²	135.9	90%	0.903	76%	0.764	S	S	*	*			trans	-144	154.6	131.1	-162.6	0	0	0	0	109.7
196	N	26.1	Very low	28.7	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	75%	0.752	S	S	*	*			trans	-77.4	145.2	177.5	-63.4	-71.8	0	0	0	113.7
197	S	29.8	Very low	29.2	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	75%	0.75	S	S	*	*				-172.8	166.9	124.2	-163.2	0	0	0	0	111.9
198	K	29.7	Very low	29.5	Very low	189 Å²	189	135.5 Å²	135.5	82%	0.822	74%	0.739	S	S	*	*			trans	-129.6	130.8	179.5	-67.1	177.5	-179.2	174.3	0	112.4
199	K	30	Very low	29.9	Very low	159 Å²	159	136 Å²	136	69%	0.691	74%	0.736	S	S	*	*			trans	180	157.8	141.7	-100.6	162.5	-179.4	178.4	0	108.6
200	S	31.3	Very low	30.2	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	72%	0.721	S	S	*	*			cis	166.4	114.7	-43.9	-93.2	0	0	0	0	107.6
201	A	31.4	Very low	30.5	Very low	96 Å²	96	131.8 Å²	131.8	79%	0.793	71%	0.708	S	S	*	*			trans	63.5	174.4	165	0	0	0	0	0	115.7
202	L	30.2	Very low	31	Very low	129 Å²	129	135 Å²	135	68%	0.675	71%	0.709	S	S	*	*			cis	-156.1	137.9	1.2	-169	72.8	0	0	0	109.9	I204	L202-I204 HydrophobicContact CD1-CD1 4.14Å; L202-I204 HydrophobicContact CD2-CD1 3.72Å; L202-I204 HydrophobicContact CG-CD1 3.86Å; L202-I204 HydrophobicContact CG-CG1 4.42Å
203	L	28.4	Very low	31.4	Very low	146 Å²	146	134.3 Å²	134.3	76%	0.764	71%	0.707	S	S	*	*			trans	179.7	140.7	132.6	-115.3	47.2	0	0	0	109.6
204	I	31.5	Very low	31.8	Very low	122 Å²	122	132.7 Å²	132.7	63%	0.626	70%	0.704	S	S	*	*			cis	79.4	130.6	28.5	-63.1	177.1	0	0	0	112.2	L202	L202-I204 HydrophobicContact CD1-CD1 4.14Å; L202-I204 HydrophobicContact CD2-CD1 3.72Å; L202-I204 HydrophobicContact CG-CD1 3.86Å; L202-I204 HydrophobicContact CG-CG1 4.42Å
205	H	35.8	Very low	32.2	Very low	126 Å²	126	135.6 Å²	135.6	58%	0.583	71%	0.706	S	S	*	*			cis	-179	-176.2	-6.6	168.7	-110.4	0	0	0	109.6
206	N	34.3	Very low	32.3	Very low	125 Å²	125	135.9 Å²	135.9	67%	0.668	70%	0.702	S	S	*	*			trans	101.5	128.7	165.2	-58.3	-69.3	0	0	0	115.7
207	K	35.8	Very low	32.7	Very low	146 Å²	146	135.6 Å²	135.6	64%	0.635	70%	0.699	S	S	*	*			cis	99.5	155.8	30.9	-83.2	-168.4	163.4	-137.8	0	112.3
208	Q	34.3	Very low	32.8	Very low	135 Å²	135	137.9 Å²	137.9	63%	0.631	70%	0.697	S	S	*	*			cis	-176	164.3	-21.9	-106.6	-176.7	-40	0	0	107.7
209	L	34	Very low	32.9	Very low	112 Å²	112	133.4 Å²	133.4	59%	0.586	69%	0.689	S	S	*	*			cis	-130.4	-112.9	-11.7	-139.5	169	0	0	0	109.5	M211	L209-M211 HydrophobicContact CD1-CE 4.05Å; L209-M211 HydrophobicContact CD2-CG 4.5Å
210	L	31.1	Very low	32.8	Very low	107 Å²	107	133 Å²	133	56%	0.56	69%	0.694	S	S	*	*			cis	-140.5	155.3	-12.7	-97	94.1	0	0	0	106.2	H162	H162-L210 WeakPolarHBondContact O-CD2 3.21Å
211	M	34.3	Very low	32.9	Very low	111 Å²	111	135 Å²	135	55%	0.547	70%	0.697	S	S	.	*				70	138.6	56.2	-59.1	-157.4	-168.9	0	0	115.9	L209	L209-M211 HydrophobicContact CD1-CE 4.05Å; L209-M211 HydrophobicContact CD2-CG 4.5Å
212	K	35.4	Very low	32.7	Very low	166 Å²	166	138.3 Å²	138.3	72%	0.722	70%	0.7	S	S	*	*			cis	-171.6	171	-6	-112.3	174.9	-175	170.9	0	110.3
213	N	34.6	Very low	32.9	Very low	132 Å²	132	138.7 Å²	138.7	71%	0.706	70%	0.701	S	S	*	*			trans	170.2	116.4	144.3	-83.1	-6.3	0	0	0	107.8
214	D	36	Very low	32.9	Very low	129 Å²	129	138.9 Å²	138.9	69%	0.69	70%	0.698	S	S	*	*				67.1	106	88.7	-70.1	-41.4	0	0	0	113.8
215	K	32.8	Very low	32.8	Very low	186 Å²	186	138.2 Å²	138.2	81%	0.809	70%	0.703	S	S	*	*				86.7	114.3	66.8	-87.7	-170.2	176.1	-175.3	0	113.8
216	N	32.2	Very low	32.4	Very low	156 Å²	156	139 Å²	139	83%	0.834	71%	0.711	S	S	*	*			trans	-179.6	162.3	146.2	-98.2	-17.1	0	0	0	111.6
217	I	33.8	Very low	32.3	Very low	154 Å²	154	138.6 Å²	138.6	79%	0.79	72%	0.718	S	S	*	*			trans	65.2	111.4	171.7	-57.3	145.8	0	0	0	113
218	E	31.1	Very low	32	Very low	169 Å²	169	136.7 Å²	136.7	79%	0.79	72%	0.723	S	S	*	*			cis	78.1	120.3	48.5	-66.2	-157.8	142.5	0	0	116.2
219	S	32	Very low	32.1	Very low	94 Å²	94	136.3 Å²	136.3	66%	0.657	73%	0.73	S	S	*	*			trans	60.3	118.3	142.7	-55.2	0	0	0	0	121
220	N	29.4	Very low	31.9	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	74%	0.74	S	S	*	*			trans	65.5	128.8	156	-53.3	-22.4	0	0	0	117.8
221	D	33.5	Very low	32.2	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	75%	0.752	S	S	*	*				-162.8	135.1	110.4	-102.1	-21.6	0	0	0	111.4	I223	D221-I223 HydrophobicContact CB-CG1 4.37Å
222	I	27.3	Very low	32.4	Very low	165 Å²	165	143.4 Å²	143.4	85%	0.846	76%	0.76	S	S	*	*			trans	-101.3	103.6	168	-62.4	172.8	0	0	0	106
223	I	32.5	Very low	32.8	Very low	136 Å²	136	143.1 Å²	143.1	70%	0.697	77%	0.766	S	S	*	*			trans	-104.3	96.6	172.3	-59.6	-177.5	0	0	0	108.7	D221	D221-I223 HydrophobicContact CB-CG1 4.37Å
224	H	29.2	Very low	33.2	Very low	150 Å²	150	144.7 Å²	144.7	69%	0.694	78%	0.775	S	S	*	*			trans	-87	123.5	161.9	-169.3	-35.5	0	0	0	107.3	N226	H224-N226 PolarHBondContact CE1-OD1 2.77Å
225	C	29.2	Very low	33.7	Very low	109 Å²	109	146.2 Å²	146.2	74%	0.736	78%	0.783	S	S	*	*			trans	-130.1	82.8	177.4	47.6	0	0	0	0	110.8
226	N	27	Very low	34.1	Very low	143 Å²	143	140 Å²	140	77%	0.765	77%	0.771	S	S	*	*			trans	-78	138	150.4	-74.5	5.6	0	0	0	107.1	H224	H224-N226 PolarHBondContact CE1-OD1 2.77Å
227	S	33.6	Very low	34.9	Very low	116 Å²	116	139.8 Å²	139.8	81%	0.811	77%	0.77	S	S	*	*			trans	-146.1	119.6	152.4	-165.6	0	0	0	0	108.1
228	S	29	Very low	35.4	Very low	106 Å²	106	139.5 Å²	139.5	74%	0.741	77%	0.766	S	S	*	*			trans	-72.8	146.4	162.4	-44.4	0	0	0	0	109.2
229	V	36.5	Very low	35.9	Very low	127 Å²	127	136.9 Å²	136.9	77%	0.77	76%	0.757	S	S	*	*			trans	-139.8	150.3	141.1	-175.3	0	0	0	0	105.4
230	E	29	Very low	36.5	Very low	172 Å²	172	139.3 Å²	139.3	80%	0.804	76%	0.763	S	S	*	*			trans	-98.6	-147	-176.1	-66.8	159.8	156.5	0	0	109.5
231	E	36.9	Very low	37.3	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	76%	0.764	S	S	*	*			trans	78.8	138	-178.7	-52.7	172	-149.7	0	0	116.1
232	D	38.9	Very low	38	Very low	136 Å²	136	139.5 Å²	139.5	73%	0.727	76%	0.764	S	S	*	*				-171.3	163.6	-58.2	-92.4	-27.9	0	0	0	108.5
233	D	43.8	Very low	39.1	Very low	159 Å²	159	139 Å²	139	85%	0.85	76%	0.763	S	S	*	*			trans	58.5	170	167.6	-48.8	-30.1	0	0	0	117.1
234	D	44.6	Very low	39.8	Very low	165 Å²	165	135.7 Å²	135.7	88%	0.882	76%	0.762	S	S	*	*			cis	-142.1	171.3	1.7	-166.5	4.3	0	0	0	108.5
235	D	44.9	Very low	41	Very low	162 Å²	162	135.7 Å²	135.7	87%	0.866	77%	0.767	S	S	*	*			trans	-126.1	162.7	-157.1	-146.5	-12.2	0	0	0	117.4
236	G	42.8	Very low	42	Very low	54 Å²	54	138.2 Å²	138.2	56%	0.557	77%	0.768	S	S	*	*			trans	130	134.3	171.2	0	0	0	0	0	115.4
237	D	47	Very low	43.2	Very low	152 Å²	152	138 Å²	138	81%	0.813	77%	0.767	S	S	*	*			cis	79.8	135.9	49.7	-75.4	-12.2	0	0	0	113.3
238	E	44.9	Very low	44	Very low	148 Å²	148	139.5 Å²	139.5	69%	0.692	77%	0.766	S	S	*	*			cis	-165.7	-179.8	2.1	-144.4	-176.1	-157.9	0	0	111
239	N	42	Very low	45	Very low	114 Å²	114	141 Å²	141	61%	0.61	76%	0.764	S	S	*	*			trans	68.2	99.3	154.9	-61.6	-49.5	0	0	0	122.3
240	D	45.3	Very low	45.2	Very low	145 Å²	145	141.4 Å²	141.4	78%	0.775	76%	0.762	S	S	*	*				40.7	166.1	106	-64.7	-3	0	0	0	123.9
241	N	46.4	Very low	45.8	Very low	156 Å²	156	139.1 Å²	139.1	83%	0.834	76%	0.755	S	S	*	*			trans	82.8	117.2	-178.5	-46.2	-84.5	0	0	0	114.1
242	D	47.6	Very low	45.9	Very low	143 Å²	143	136.8 Å²	136.8	77%	0.765	75%	0.753	S	S	*	*			cis	115	148.9	13.2	-158.8	19.4	0	0	0	113
243	D	50.3	Low	46.1	Very low	156 Å²	156	136 Å²	136	83%	0.834	75%	0.753	S	S	*	*			trans	62.8	143	179.5	-73.8	-40.1	0	0	0	121.6
244	G	47.3	Very low	45.8	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	75%	0.752	S	S	*	*			trans	126.8	95.9	154	0	0	0	0	0	120
245	D	53.2	Low	45.5	Very low	150 Å²	150	137.4 Å²	137.4	80%	0.802	75%	0.749	S	S	*	*				24.2	149.5	119.2	-47.7	-27.8	0	0	0	120.3
246	E	52.2	Low	45.3	Very low	162 Å²	162	134.5 Å²	134.5	76%	0.757	74%	0.742	S	S	*	*			cis	-164.4	171.9	6.1	-124.4	170	-178.8	0	0	110.6
247	D	50.8	Low	45.5	Very low	138 Å²	138	141.1 Å²	141.1	74%	0.738	76%	0.758	S	S	*	*			trans	52.9	109.1	150.2	-69.8	0.9	0	0	0	126.6
248	D	50.8	Low	45.2	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	76%	0.76	S	S	*	*				77.5	161.1	112.2	-148.8	16.9	0	0	0	124.3
249	I	50.1	Low	45.3	Very low	137 Å²	137	140.9 Å²	140.9	70%	0.703	77%	0.766	S	S	*	*			trans	79.3	88.1	162	-46.5	-178.3	0	0	0	120.7
250	N	40.4	Very low	45.2	Very low	136 Å²	136	140.4 Å²	140.4	73%	0.727	77%	0.771	S	S	*	*				63.6	156.2	117.4	-134.6	39.9	0	0	0	125.6
251	D	42.2	Very low	45	Very low	123 Å²	123	138.8 Å²	138.8	66%	0.658	77%	0.771	S	S	*	*			trans	75.7	91.5	156	-69.4	-45	0	0	0	124.4
252	T	38.1	Very low	44.6	Very low	122 Å²	122	136.4 Å²	136.4	75%	0.748	77%	0.767	S	S	*	*				59.8	139.7	120.6	-29.8	0	0	0	0	124
253	V	43.6	Very low	44.1	Very low	120 Å²	120	137.3 Å²	137.3	73%	0.727	77%	0.772	S	S	*	*			trans	99.9	103.2	157	-168.2	0	0	0	0	119.3
254	E	38.2	Very low	43.4	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.822	76%	0.763	S	S	*	*			trans	40.1	142.3	133.9	-54.4	-173.4	147.6	0	0	125.9
255	E	37.8	Very low	43.6	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	77%	0.765	S	S	*	*			trans	79.1	111.4	151.7	-75.3	-166.5	154	0	0	124.2
256	S	41.5	Very low	43.5	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	75%	0.753	S	S	*	*			trans	64.1	121.8	135.4	66.4	0	0	0	0	123
257	E	46.9	Very low	43.8	Very low	192 Å²	192	131.7 Å²	131.7	90%	0.897	74%	0.743	S	S	*	*			trans	-138.3	147.5	132.7	-70.6	-158.4	153.4	0	0	110.3
258	D	39.4	Very low	44.3	Very low	162 Å²	162	130.9 Å²	130.9	87%	0.866	74%	0.737	S	S	*	*			trans	-107.3	131.4	-175.4	-79.1	-60.9	0	0	0	112.2
259	V	46.8	Very low	44.9	Very low	134 Å²	134	128.5 Å²	128.5	81%	0.812	72%	0.721	S	S	*	*			trans	-137	99.9	169	-172.7	0	0	0	0	114
260	S	40.5	Very low	46.4	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	71%	0.709	S	S	*	*			trans	46.4	88.3	134.4	-52.6	0	0	0	0	122
261	S	40.9	Very low	49.1	Very low	111 Å²	111	124 Å²	124	78%	0.776	70%	0.695	S	S	*	*				31.8	117.8	123.8	62.1	0	0	0	0	121.9
262	S	38.4	Very low	51.7	Low	107 Å²	107	118.4 Å²	118.4	75%	0.748	67%	0.665	S	S	*	*				-174.2	154.1	118	46.5	0	0	0	0	113.6
263	N	37	Very low	54.5	Low	162 Å²	162	117.3 Å²	117.3	87%	0.866	65%	0.651	S	S	*	*			trans	47.4	93	162.6	-60.4	-14.4	0	0	0	120.2
264	C	35.2	Very low	57.1	Low	95 Å²	95	111.7 Å²	111.7	64%	0.642	62%	0.617	S	S	*	*			trans	-150.5	26.3	165.5	65.1	0	0	0	0	116.3
265	T	51.7	Low	59.9	Low	117 Å²	117	103.7 Å²	103.7	72%	0.718	58%	0.581	S	S	*	*	S	Bend	trans	-77.1	-22	-175.6	42.8	0	0	0	0	115.6
266	D	51.6	Low	62.7	Low	103 Å²	103	97.5 Å²	97.5	55%	0.551	56%	0.564	S	S	*	*	S	Bend	trans	-85.3	-24.4	-177.9	-83.1	-56.1	0	0	0	114.5	I268 Q269	D266-I268 PolarHBondContact O-N 3.3Å; D266-I268 VanDerWaalsContact O-N 3.08Å; D266-Q269 WeakPolarHBondContact O-CB 3.36Å; D266-Q269 WeakPolarHBondContact O-CG 3.05Å; D266-Q269 PolarHBondContact O-N 2.86Å; D266-Q269 PolarHBondContact OD1-NE2 2.97Å
267	D	57.5	Low	65.3	Low	101 Å²	101	95 Å²	95	54%	0.54	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.8	179.8	-82.5	-56.2	0	0	0	113.7	Q269 H270 L271	D267-Q269 PolarHBondContact O-N 3.08Å; D267-H270 WeakPolarHBondContact O-CA 3.3Å; D267-H270 PolarHBondContact O-N 3.25Å; D267-L271 PolarHBondContact O-N 2.93Å
268	I	61.3	Low	67.6	Low	120 Å²	120	95.6 Å²	95.6	62%	0.615	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-58.5	-30.7	174.5	-56.7	178.3	0	0	0	111	D266 H270	D266-I268 PolarHBondContact O-N 3.3Å; D266-I268 VanDerWaalsContact O-N 3.08Å; I268-H270 PolarHBondContact O-N 2.91Å
269	Q	63.4	Low	70.3	Confident	99 Å²	99	88.7 Å²	88.7	46%	0.463	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-71	-14.7	174.9	-53	-162.9	57.2	0	0	113	D266 D267 Y287	D266-Q269 WeakPolarHBondContact O-CB 3.36Å; D266-Q269 WeakPolarHBondContact O-CG 3.05Å; D266-Q269 PolarHBondContact O-N 2.86Å; D266-Q269 PolarHBondContact OD1-NE2 2.97Å; D267-Q269 PolarHBondContact O-N 3.08Å; Q269-Y287 VanDerWaalsContact O-CD1 3.22Å; Q269-Y287 WeakPolarHBondContact O-CD1 3.25Å; Q269-Y287 VanDerWaalsContact O-CE1 3.23Å; Q269-Y287 WeakPolarHBondContact O-CE1 3.5Å
270	H	82.5	Confident	72.6	Confident	98 Å²	98	85 Å²	85	45%	0.454	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-111.4	6.4	-172.3	-65.6	-75.1	0	0	0	114.5	D267 I268 S279	D267-H270 WeakPolarHBondContact O-CA 3.3Å; D267-H270 PolarHBondContact O-N 3.25Å; I268-H270 PolarHBondContact O-N 2.91Å; H270-S279 WeakPolarHBondContact O-CA 3.13Å; H270-S279 WeakPolarHBondContact O-CB 3.46Å; H270-S279 PolarHBondContact O-N 3.25Å
271	L	95.9	Very high	75.2	Confident	81 Å²	81	81.5 Å²	81.5	42%	0.424	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-94.7	149.2	175.1	-58.5	-174.4	0	0	0	113.6	D267 Q273	D267-L271 PolarHBondContact O-N 2.93Å; L271-Q273 PolarHBondContact O-N 2.8Å
272	C	97.9	Very high	77.8	Confident	4 Å²	4	82.9 Å²	82.9	3%	0.027	45%	0.453	C	S	.	.			trans	-74	112.8	178.8	176.6	0	0	0	0	112	V274 C275 G276 D277 T288 C289	C272-V274 PolarHBondContact O-N 3.08Å; C272-C275 PolarHBondContact O-N 2.91Å; C272-G276 PolarHBondContact O-N 2.91Å; C272-D277 WeakPolarHBondContact CA-O 3.42Å; C272-D277 HydrophobicContact CB-CB 4.45Å; C272-D277 WeakPolarHBondContact CB-O 3.43Å; C272-D277 PolarHBondContact N-O 3.32Å; C272-T288 VanDerWaalsContact SG-CA 3.58Å; C272-C289 HydrophobicContact CB-CB 3.99Å; C272-C289 PolarHBondContact SG-N 3.25Å; C272-C289 VanDerWaalsContact SG-N 3.42Å
273	Q	96.5	Very high	80.6	Confident	99 Å²	99	79.2 Å²	79.2	46%	0.463	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-0.4	178.8	-58.9	-61.4	-45	0	0	115.1	L271 Y287 A335	L271-Q273 PolarHBondContact O-N 2.8Å; Q273-Y287 PolarHBondContact N-O 3.39Å; Q273-A335 HydrophobicContact CB-CB 4.27Å; Q273-A335 WeakPolarHBondContact O-CB 3.27Å
274	V	97.7	Very high	83.5	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.012	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-31.2	177	178.9	0	0	0	0	112.4	C272 T288 C292 V316 R331 C332 A335 M337	C272-V274 PolarHBondContact O-N 3.08Å; V274-T288 HydrophobicContact CG2-CG2 3.81Å; V274-C292 HydrophobicContact CB-CB 4.25Å; V274-C292 HydrophobicContact CG1-CB 4.27Å; V274-V316 HydrophobicContact CG1-CG1 4.37Å; V274-R331 HydrophobicContact CG1-CB 4.09Å; V274-C332 HydrophobicContact CG2-CB 4.5Å; V274-A335 HydrophobicContact CG2-CB 3.9Å; V274-M337 HydrophobicContact CG2-SD 3.99Å
275	C	97.9	Very high	86.3	Confident	9 Å²	9	71.1 Å²	71.1	6%	0.061	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.4	16.6	-170.9	70.9	0	0	0	0	117.4	C272 D277 C289 V316 D317 A318 R321	C272-C275 PolarHBondContact O-N 2.91Å; C275-D277 PolarHBondContact O-N 3.41Å; C275-C289 VanDerWaalsContact SG-SG 3.64Å; C275-V316 WeakPolarHBondContact CA-O 3.34Å; C275-V316 HydrophobicContact CB-CG1 4.2Å; C275-V316 VanDerWaalsContact CB-O 3.22Å; C275-V316 WeakPolarHBondContact CB-O 3.49Å; C275-D317 CarbonylContact O-C 3.51Å; C275-A318 PolarHBondContact O-N 3.41Å; C275-R321 HydrophobicContact CB-CB 4.34Å; C275-R321 PolarHBondContact SG-NH1 2.85Å
276	G	96.4	Very high	88.4	Confident	46 Å²	46	68.6 Å²	68.6	47%	0.474	36%	0.362	S	S	.	.	S	Bend	trans	75.5	-29.7	176.6	0	0	0	0	0	115.9	C272	C272-G276 PolarHBondContact O-N 2.91Å
277	D	96.5	Very high	90.6	Very high	49 Å²	49	66.5 Å²	66.5	26%	0.262	35%	0.347	S	S	.	.	S	Bend	trans	-49.5	151.2	177.4	-172.8	21.7	0	0	0	114.1	C272 C275 S279 C289 A318 R321	C272-D277 WeakPolarHBondContact CA-O 3.42Å; C272-D277 HydrophobicContact CB-CB 4.45Å; C272-D277 WeakPolarHBondContact CB-O 3.43Å; C272-D277 PolarHBondContact N-O 3.32Å; C275-D277 PolarHBondContact O-N 3.41Å; D277-S279 PolarHBondContact O-N 3.49Å; D277-C289 HydrophobicContact CB-CB 3.98Å; D277-C289 VanDerWaalsContact OD2-CB 3.29Å; D277-C289 WeakPolarHBondContact OD2-CB 3.38Å; D277-C289 PolarHBondContact OD2-SG 2.99Å; D277-C289 VanDerWaalsContact OD2-SG 3.41Å; D277-A318 HydrophobicContact CB-CB 3.88Å; D277-R321 IonicContact OD2-CZ 3.95Å; D277-R321 IonicContact OD2-NH1 2.62Å; D277-R321 PolarHBondContact OD2-NH1 2.85Å; D277-R321 IonicContact OD2-NH2 3.69Å; D277-R321 PolarHBondContact OD2-NH2 3.04Å
278	R	95.6	Very high	92.5	Very high	205 Å²	205	61.7 Å²	61.7	77%	0.774	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-58.4	129.7	-175.7	-168.4	173.2	-176.2	167	3.1	111.2	C289	R278-C289 WeakPolarHBondContact O-CA 3.4Å; R278-C289 WeakPolarHBondContact O-CB 3.4Å
279	S	96.4	Very high	94.3	Very high	17 Å²	17	56 Å²	56	12%	0.119	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-77.8	135.7	-177.7	-176.6	0	0	0	0	111.7	H270 D277 G281 T288	H270-S279 WeakPolarHBondContact O-CA 3.13Å; H270-S279 WeakPolarHBondContact O-CB 3.46Å; H270-S279 PolarHBondContact O-N 3.25Å; D277-S279 PolarHBondContact O-N 3.49Å; S279-G281 PolarHBondContact O-N 3.27Å; S279-G281 PolarHBondContact OG-N 3.17Å; S279-G281 PolarHBondContact OG-O 2.84Å; S279-G281 VanDerWaalsContact OG-O 3.06Å; S279-T288 CarbonylContact C-O 3.57Å; S279-T288 WeakPolarHBondContact CA-O 3.39Å; S279-T288 PolarHBondContact OG-N 2.96Å; S279-T288 PolarHBondContact OG-O 2.86Å
280	S	94.8	Very high	95.9	Very high	58 Å²	58	55.7 Å²	55.7	41%	0.406	29%	0.29	S	S	.	.			trans	-91.1	29.4	166.3	59.7	0	0	0	0	111.8	H283 T288 E290	S280-H283 VanDerWaalsContact C-NE2 3.34Å; S280-H283 PolarHBondContact O-CE1 3.47Å; S280-H283 VanDerWaalsContact O-CE1 3.31Å; S280-H283 PolarHBondContact O-NE2 3.27Å; S280-H283 PolarHBondContact OG-NE2 3.04Å; S280-T288 PolarHBondContact N-O 3.47Å; S280-E290 PolarHBondContact OG-N 3.23Å; S280-E290 PolarHBondContact OG-OE2 3Å
281	G	94.3	Very high	96.6	Very high	28 Å²	28	52.1 Å²	52.1	29%	0.289	28%	0.28	S	S	.	.	S	Bend	trans	96.7	-169.7	-178.7	0	0	0	0	0	115.7	S279 H283 T288	S279-G281 PolarHBondContact O-N 3.27Å; S279-G281 PolarHBondContact OG-N 3.17Å; S279-G281 PolarHBondContact OG-O 2.84Å; S279-G281 VanDerWaalsContact OG-O 3.06Å; G281-H283 PolarHBondContact O-CD2 3.08Å; G281-H283 PolarHBondContact O-N 3.31Å; G281-H283 PolarHBondContact O-NE2 3.43Å; G281-T288 PolarHBondContact O-N 3.31Å; G281-T288 VanDerWaalsContact O-N 3.14Å
282	K	95.6	Very high	96.7	Very high	140 Å²	140	48.3 Å²	48.3	61%	0.609	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	106.1	-177.7	-69.2	178.7	-175.6	168.8	0	111.3	Q286 Y287	K282-Q286 CarbonylContact C-O 3.5Å; K282-Q286 WeakPolarHBondContact CA-O 3.17Å; K282-Y287 HydrophobicContact CD-CE2 4.26Å; K282-Y287 WeakPolarHBondContact CE-OH 3.44Å; K282-Y287 HydrophobicContact CG-CD1 4Å; K282-Y287 HydrophobicContact CG-CD2 4.14Å; K282-Y287 HydrophobicContact CG-CE1 3.95Å; K282-Y287 HydrophobicContact CG-CE2 4.08Å; K282-Y287 HydrophobicContact CG-CG 4.12Å; K282-Y287 PolarHBondContact NZ-OH 3.33Å
283	H	97	Very high	96.7	Very high	30 Å²	30	50.3 Å²	50.3	14%	0.139	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.9	174.9	-54.2	-67.1	0	0	0	111.1	S280 G281 G285 Q286 T288 K293	S280-H283 VanDerWaalsContact C-NE2 3.34Å; S280-H283 PolarHBondContact O-CE1 3.47Å; S280-H283 VanDerWaalsContact O-CE1 3.31Å; S280-H283 PolarHBondContact O-NE2 3.27Å; S280-H283 PolarHBondContact OG-NE2 3.04Å; G281-H283 PolarHBondContact O-CD2 3.08Å; G281-H283 PolarHBondContact O-N 3.31Å; G281-H283 PolarHBondContact O-NE2 3.43Å; H283-G285 PolarHBondContact O-N 2.82Å; H283-Q286 PolarHBondContact N-O 3.01Å; H283-Q286 PolarHBondContact O-N 2.74Å; H283-Q286 VanDerWaalsContact O-N 3.11Å; H283-T288 WeakPolarHBondContact CB-OG1 3.28Å; H283-T288 PolarHBondContact CD2-O 3.33Å; H283-K293 HydrophobicContact CB-CB 3.91Å; H283-K293 HydrophobicContact CB-CD 4.34Å; H283-K293 HydrophobicContact CB-CG 3.72Å; H283-K293 VanDerWaalsContact CE1-CE 3.4Å; H283-K293 WeakPolarHBondContact CE1-CE 3.29Å; H283-K293 VanDerWaalsContact CG-CG 3.48Å; H283-K293 WeakPolarHBondContact ND1-CD 3.44Å; H283-K293 VanDerWaalsContact ND1-CE 3.26Å; H283-K293 WeakPolarHBondContact ND1-CE 3.44Å
284	Y	97.1	Very high	96.7	Very high	45 Å²	45	46.6 Å²	46.6	18%	0.176	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.3	-178.6	-51.4	-64.7	0	0	0	114	K293 F296 K297 M337 K338 A341 V342	Y284-K293 HydrophobicContact CE2-CG 4.17Å; Y284-F296 AromaticContact CD2-CD1 3.61Å; Y284-F296 HydrophobicContact CD2-CD1 3.61Å; Y284-F296 HydrophobicContact CD2-CE1 4.27Å; Y284-F296 HydrophobicContact CE2-CD1 4.29Å; Y284-F296 AromaticContact CG-CD1 3.83Å; Y284-F296 HydrophobicContact CG-CD1 3.83Å; Y284-F296 HydrophobicContact CG-CE1 4.01Å; Y284-K297 HydrophobicContact CE2-CB 4.11Å; Y284-K297 WeakPolarHBondContact OH-CD 3.45Å; Y284-K297 WeakPolarHBondContact OH-CG 3.36Å; Y284-M337 HydrophobicContact CD2-CE 3.89Å; Y284-K338 WeakPolarHBondContact O-CB 3.49Å; Y284-K338 PolarHBondContact O-N 3.43Å; Y284-A341 HydrophobicContact CD1-CB 3.89Å; Y284-V342 HydrophobicContact CD1-CG2 3.64Å; Y284-V342 HydrophobicContact CE1-CB 4.34Å; Y284-V342 HydrophobicContact CE1-CG2 3.72Å; Y284-V342 HydrophobicContact CG-CG2 4.12Å
285	G	95.2	Very high	96.8	Very high	43 Å²	43	47 Å²	47	44%	0.443	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	-3.5	178.4	0	0	0	0	0	116	H283	H283-G285 PolarHBondContact O-N 2.82Å
286	Q	96.3	Very high	96.8	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.299	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.2	-177.8	-67.4	-67.3	16	0	0	114.3	K282 H283 T288 A335 M337	K282-Q286 CarbonylContact C-O 3.5Å; K282-Q286 WeakPolarHBondContact CA-O 3.17Å; H283-Q286 PolarHBondContact N-O 3.01Å; H283-Q286 PolarHBondContact O-N 2.74Å; H283-Q286 VanDerWaalsContact O-N 3.11Å; Q286-T288 PolarHBondContact O-N 3.19Å; Q286-T288 VanDerWaalsContact O-N 3.13Å; Q286-T288 PolarHBondContact O-OG1 2.91Å; Q286-A335 VanDerWaalsContact CG-O 3.22Å; Q286-A335 WeakPolarHBondContact CG-O 3.39Å; Q286-A335 PolarHBondContact NE2-O 2.85Å; Q286-M337 HydrophobicContact CB-CG 4.35Å
287	Y	97	Very high	96.8	Very high	59 Å²	59	47.8 Å²	47.8	23%	0.231	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	112.7	173.2	-72.5	-81.8	0	0	0	110.5	Q269 Q273 K282	Q269-Y287 VanDerWaalsContact O-CD1 3.22Å; Q269-Y287 WeakPolarHBondContact O-CD1 3.25Å; Q269-Y287 VanDerWaalsContact O-CE1 3.23Å; Q269-Y287 WeakPolarHBondContact O-CE1 3.5Å; Q273-Y287 PolarHBondContact N-O 3.39Å; K282-Y287 HydrophobicContact CD-CE2 4.26Å; K282-Y287 WeakPolarHBondContact CE-OH 3.44Å; K282-Y287 HydrophobicContact CG-CD1 4Å; K282-Y287 HydrophobicContact CG-CD2 4.14Å; K282-Y287 HydrophobicContact CG-CE1 3.95Å; K282-Y287 HydrophobicContact CG-CE2 4.08Å; K282-Y287 HydrophobicContact CG-CG 4.12Å; K282-Y287 PolarHBondContact NZ-OH 3.33Å
288	T	97.5	Very high	96.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.256	C	S	.	.			trans	-142.6	159.6	180	49.4	0	0	0	0	112.1	C272 V274 S279 S280 G281 H283 Q286 M337	C272-T288 VanDerWaalsContact SG-CA 3.58Å; V274-T288 HydrophobicContact CG2-CG2 3.81Å; S279-T288 CarbonylContact C-O 3.57Å; S279-T288 WeakPolarHBondContact CA-O 3.39Å; S279-T288 PolarHBondContact OG-N 2.96Å; S279-T288 PolarHBondContact OG-O 2.86Å; S280-T288 PolarHBondContact N-O 3.47Å; G281-T288 PolarHBondContact O-N 3.31Å; G281-T288 VanDerWaalsContact O-N 3.14Å; H283-T288 WeakPolarHBondContact CB-OG1 3.28Å; H283-T288 PolarHBondContact CD2-O 3.33Å; Q286-T288 PolarHBondContact O-N 3.19Å; Q286-T288 VanDerWaalsContact O-N 3.13Å; Q286-T288 PolarHBondContact O-OG1 2.91Å; T288-M337 HydrophobicContact CG2-CE 3.99Å; T288-M337 HydrophobicContact CG2-CG 4.42Å; T288-M337 HydrophobicContact CG2-SD 3.9Å
289	C	98.2	Very high	96.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	22%	0.22	C	C	.	.			trans	-82	162.3	171.4	61.3	0	0	0	0	111.3	C272 C275 D277 R278 G291 C292 K293 R321	C272-C289 HydrophobicContact CB-CB 3.99Å; C272-C289 PolarHBondContact SG-N 3.25Å; C272-C289 VanDerWaalsContact SG-N 3.42Å; C275-C289 VanDerWaalsContact SG-SG 3.64Å; D277-C289 HydrophobicContact CB-CB 3.98Å; D277-C289 VanDerWaalsContact OD2-CB 3.29Å; D277-C289 WeakPolarHBondContact OD2-CB 3.38Å; D277-C289 PolarHBondContact OD2-SG 2.99Å; D277-C289 VanDerWaalsContact OD2-SG 3.41Å; R278-C289 WeakPolarHBondContact O-CA 3.4Å; R278-C289 WeakPolarHBondContact O-CB 3.4Å; C289-G291 PolarHBondContact O-N 3.48Å; C289-C292 PolarHBondContact O-N 3.11Å; C289-K293 WeakPolarHBondContact O-CB 3.49Å; C289-K293 PolarHBondContact O-N 3.32Å; C289-R321 PolarHBondContact SG-NH1 2.81Å
290	E	97.2	Very high	96.9	Very high	92 Å²	92	42.9 Å²	42.9	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-58.2	-33.9	-177.9	-161.9	60.9	-150.5	0	0	112.8	S280 K293 S294	S280-E290 PolarHBondContact OG-N 3.23Å; S280-E290 PolarHBondContact OG-OE2 3Å; E290-K293 VanDerWaalsContact CD-CD 3.44Å; E290-K293 VanDerWaalsContact OE1-CD 3.26Å; E290-K293 WeakPolarHBondContact OE1-CD 3.26Å; E290-K293 WeakPolarHBondContact OE1-CE 3.4Å; E290-K293 IonicContact OE1-NZ 3.66Å; E290-K293 PolarHBondContact OE1-NZ 2.9Å; E290-K293 WeakPolarHBondContact OE2-CD 3.35Å; E290-K293 WeakPolarHBondContact OE2-CE 3.31Å; E290-K293 IonicContact OE2-NZ 3.8Å; E290-K293 PolarHBondContact OE2-NZ 3.39Å; E290-S294 VanDerWaalsContact O-CB 3.22Å; E290-S294 WeakPolarHBondContact O-CB 3.28Å; E290-S294 PolarHBondContact O-N 3.27Å; E290-S294 PolarHBondContact O-OG 3.44Å; E290-S294 VanDerWaalsContact O-OG 3.08Å
291	G	97.5	Very high	96.8	Very high	23 Å²	23	45.9 Å²	45.9	24%	0.237	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-48.1	174.4	0	0	0	0	0	113	C289 S294 F295 R328	C289-G291 PolarHBondContact O-N 3.48Å; G291-S294 PolarHBondContact O-OG 3.32Å; G291-F295 WeakPolarHBondContact O-CB 3.47Å; G291-F295 PolarHBondContact O-N 3.32Å; G291-R328 VanDerWaalsContact C-NH2 3.34Å; G291-R328 PolarHBondContact O-NH2 2.98Å
292	C	98.5	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-78.1	-37.3	-178.3	-71.7	0	0	0	0	112.8	V274 C289 F295 F296 R328	V274-C292 HydrophobicContact CB-CB 4.25Å; V274-C292 HydrophobicContact CG1-CB 4.27Å; C289-C292 PolarHBondContact O-N 3.11Å; C292-F295 PolarHBondContact O-N 2.96Å; C292-F296 WeakPolarHBondContact O-CB 3.31Å; C292-F296 PolarHBondContact O-N 3.49Å; C292-R328 PolarHBondContact SG-NE 2.85Å; C292-R328 PolarHBondContact SG-NH2 3.1Å; C292-R328 VanDerWaalsContact SG-NH2 3.38Å
293	K	97.7	Very high	96.6	Very high	46 Å²	46	50.8 Å²	50.8	20%	0.2	25%	0.251	C	S	.	.	H	α-helix	trans	-52.7	-54.1	166.9	170.2	-159.2	-171.2	-171.8	0	111.6	H283 Y284 C289 E290 K297	H283-K293 HydrophobicContact CB-CB 3.91Å; H283-K293 HydrophobicContact CB-CD 4.34Å; H283-K293 HydrophobicContact CB-CG 3.72Å; H283-K293 VanDerWaalsContact CE1-CE 3.4Å; H283-K293 WeakPolarHBondContact CE1-CE 3.29Å; H283-K293 VanDerWaalsContact CG-CG 3.48Å; H283-K293 WeakPolarHBondContact ND1-CD 3.44Å; H283-K293 VanDerWaalsContact ND1-CE 3.26Å; H283-K293 WeakPolarHBondContact ND1-CE 3.44Å; Y284-K293 HydrophobicContact CE2-CG 4.17Å; C289-K293 WeakPolarHBondContact O-CB 3.49Å; C289-K293 PolarHBondContact O-N 3.32Å; E290-K293 VanDerWaalsContact CD-CD 3.44Å; E290-K293 VanDerWaalsContact OE1-CD 3.26Å; E290-K293 WeakPolarHBondContact OE1-CD 3.26Å; E290-K293 WeakPolarHBondContact OE1-CE 3.4Å; E290-K293 IonicContact OE1-NZ 3.66Å; E290-K293 PolarHBondContact OE1-NZ 2.9Å; E290-K293 WeakPolarHBondContact OE2-CD 3.35Å; E290-K293 WeakPolarHBondContact OE2-CE 3.31Å; E290-K293 IonicContact OE2-NZ 3.8Å; E290-K293 PolarHBondContact OE2-NZ 3.39Å; K293-K297 WeakPolarHBondContact O-CB 3.32Å; K293-K297 PolarHBondContact O-N 3.21Å
294	S	97.3	Very high	96.4	Very high	22 Å²	22	50.3 Å²	50.3	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-69.5	-37	-176.2	76.5	0	0	0	0	112.2	E290 G291 R298	E290-S294 VanDerWaalsContact O-CB 3.22Å; E290-S294 WeakPolarHBondContact O-CB 3.28Å; E290-S294 PolarHBondContact O-N 3.27Å; E290-S294 PolarHBondContact O-OG 3.44Å; E290-S294 VanDerWaalsContact O-OG 3.08Å; G291-S294 PolarHBondContact O-OG 3.32Å; S294-R298 VanDerWaalsContact CB-NH1 3.34Å; S294-R298 WeakPolarHBondContact O-CG 3.38Å; S294-R298 PolarHBondContact O-N 3.16Å; S294-R298 VanDerWaalsContact O-N 3.15Å; S294-R298 PolarHBondContact O-NH1 3.12Å; S294-R298 PolarHBondContact OG-NH1 2.85Å
295	F	98.3	Very high	96.3	Very high	10 Å²	10	55.8 Å²	55.8	4%	0.044	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-56.2	172.6	174.1	-97.7	0	0	0	111.6	G291 C292 K297 R298 S299 Y306 Q325 R328 L329	G291-F295 WeakPolarHBondContact O-CB 3.47Å; G291-F295 PolarHBondContact O-N 3.32Å; C292-F295 PolarHBondContact O-N 2.96Å; F295-K297 VanDerWaalsContact C-N 3.3Å; F295-K297 PolarHBondContact O-N 3.38Å; F295-R298 PolarHBondContact O-N 3.24Å; F295-S299 PolarHBondContact O-N 2.88Å; F295-S299 PolarHBondContact O-OG 3.06Å; F295-Y306 HydrophobicContact CE2-CE2 4.13Å; F295-Y306 HydrophobicContact CZ-CD2 4.41Å; F295-Y306 AromaticContact CZ-CE2 3.76Å; F295-Y306 HydrophobicContact CZ-CE2 3.76Å; F295-Q325 HydrophobicContact CE2-CB 4.08Å; F295-Q325 HydrophobicContact CE2-CG 4.16Å; F295-Q325 HydrophobicContact CZ-CB 4.17Å; F295-Q325 WeakPolarHBondContact CZ-O 3.08Å; F295-R328 HydrophobicContact CD1-CG 3.9Å; F295-R328 HydrophobicContact CE1-CB 3.98Å; F295-R328 HydrophobicContact CE1-CG 3.77Å; F295-R328 HydrophobicContact CZ-CB 4.15Å; F295-R328 HydrophobicContact CZ-CG 4.3Å; F295-L329 HydrophobicContact CE1-CB 3.9Å; F295-L329 HydrophobicContact CE1-CD1 4.25Å; F295-L329 HydrophobicContact CZ-CB 4.11Å
296	F	98.2	Very high	96.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.2	-44.2	-179.7	-173.3	-103.1	0	0	0	112.1	Y284 C292 R298 S299 V300 L329 C332 L333 M337 K339 V342	Y284-F296 AromaticContact CD2-CD1 3.61Å; Y284-F296 HydrophobicContact CD2-CD1 3.61Å; Y284-F296 HydrophobicContact CD2-CE1 4.27Å; Y284-F296 HydrophobicContact CE2-CD1 4.29Å; Y284-F296 AromaticContact CG-CD1 3.83Å; Y284-F296 HydrophobicContact CG-CD1 3.83Å; Y284-F296 HydrophobicContact CG-CE1 4.01Å; C292-F296 WeakPolarHBondContact O-CB 3.31Å; C292-F296 PolarHBondContact O-N 3.49Å; F296-R298 VanDerWaalsContact C-N 3.32Å; F296-R298 PolarHBondContact O-N 3.44Å; F296-S299 PolarHBondContact O-N 3.24Å; F296-V300 HydrophobicContact CD1-CG2 4.15Å; F296-V300 HydrophobicContact CD2-CG2 4.1Å; F296-V300 HydrophobicContact CE1-CG2 3.86Å; F296-V300 HydrophobicContact CE2-CG2 3.79Å; F296-V300 HydrophobicContact CG-CG2 4.28Å; F296-V300 HydrophobicContact CZ-CG2 3.66Å; F296-V300 WeakPolarHBondContact O-CB 3.46Å; F296-V300 WeakPolarHBondContact O-CG2 2.99Å; F296-V300 PolarHBondContact O-N 3.41Å; F296-L329 HydrophobicContact CD2-CD1 4.13Å; F296-L329 HydrophobicContact CE2-CD1 4.48Å; F296-C332 HydrophobicContact CD2-CB 3.64Å; F296-C332 HydrophobicContact CE2-CB 4.18Å; F296-L333 HydrophobicContact CE2-CD2 3.74Å; F296-L333 HydrophobicContact CE2-CG 4.31Å; F296-L333 HydrophobicContact CZ-CD2 4.2Å; F296-M337 HydrophobicContact CB-CE 3.69Å; F296-M337 HydrophobicContact CB-SD 4.07Å; F296-M337 HydrophobicContact CD1-CB 4.14Å; F296-M337 HydrophobicContact CD1-CE 3.94Å; F296-M337 HydrophobicContact CD2-CB 4Å; F296-M337 HydrophobicContact CD2-SD 4.12Å; F296-M337 HydrophobicContact CE1-CB 3.84Å; F296-M337 HydrophobicContact CE2-CB 3.69Å; F296-M337 HydrophobicContact CG-CB 4.21Å; F296-M337 HydrophobicContact CG-CE 3.8Å; F296-M337 HydrophobicContact CG-SD 4Å; F296-M337 HydrophobicContact CZ-CB 3.6Å; F296-M337 WeakPolarHBondContact CZ-O 3.44Å; F296-K339 HydrophobicContact CZ-CG 4.12Å; F296-V342 HydrophobicContact CD1-CG2 3.83Å; F296-V342 HydrophobicContact CE1-CG2 3.6Å
297	K	96.9	Very high	96.4	Very high	72 Å²	72	60.5 Å²	60.5	31%	0.313	30%	0.301	S	S	.	.	H	α-helix	trans	-55.3	-42.1	174.3	-175.3	179	71.5	-176.9	0	112.8	Y284 K293 F295 R301	Y284-K297 HydrophobicContact CE2-CB 4.11Å; Y284-K297 WeakPolarHBondContact OH-CD 3.45Å; Y284-K297 WeakPolarHBondContact OH-CG 3.36Å; K293-K297 WeakPolarHBondContact O-CB 3.32Å; K293-K297 PolarHBondContact O-N 3.21Å; F295-K297 VanDerWaalsContact C-N 3.3Å; F295-K297 PolarHBondContact O-N 3.38Å; K297-R301 WeakPolarHBondContact O-CB 3.26Å; K297-R301 WeakPolarHBondContact O-CG 3.46Å; K297-R301 PolarHBondContact O-N 2.88Å
298	R	96.7	Very high	96.4	Very high	133 Å²	133	59 Å²	59	50%	0.502	30%	0.299	S	S	.	.	H	α-helix	trans	-71.3	-48.7	177.7	-71.8	-174.4	-60.9	-90	-0.2	111.4	S294 F295 F296 R301 K302	S294-R298 VanDerWaalsContact CB-NH1 3.34Å; S294-R298 WeakPolarHBondContact O-CG 3.38Å; S294-R298 PolarHBondContact O-N 3.16Å; S294-R298 VanDerWaalsContact O-N 3.15Å; S294-R298 PolarHBondContact O-NH1 3.12Å; S294-R298 PolarHBondContact OG-NH1 2.85Å; F295-R298 PolarHBondContact O-N 3.24Å; F296-R298 VanDerWaalsContact C-N 3.32Å; F296-R298 PolarHBondContact O-N 3.44Å; R298-R301 PolarHBondContact O-N 2.9Å; R298-K302 PolarHBondContact O-N 3.43Å
299	S	97.4	Very high	96.3	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.014	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-41.4	-175.2	-52.8	0	0	0	0	112.7	F295 F296 S303 A304 Y306	F295-S299 PolarHBondContact O-N 2.88Å; F295-S299 PolarHBondContact O-OG 3.06Å; F296-S299 PolarHBondContact O-N 3.24Å; S299-S303 PolarHBondContact O-N 3.38Å; S299-A304 WeakPolarHBondContact O-CB 3.43Å; S299-A304 PolarHBondContact O-N 3.31Å; S299-Y306 WeakPolarHBondContact OG-CE2 3.25Å; S299-Y306 PolarHBondContact OG-OH 3.36Å
300	V	95.7	Very high	96.1	Very high	32 Å²	32	74.7 Å²	74.7	19%	0.194	37%	0.37	C	S	.	.	H	α-helix	trans	-68.5	-38.7	176.7	176.2	0	0	0	0	111.7	F296 S303 K339 V342	F296-V300 HydrophobicContact CD1-CG2 4.15Å; F296-V300 HydrophobicContact CD2-CG2 4.1Å; F296-V300 HydrophobicContact CE1-CG2 3.86Å; F296-V300 HydrophobicContact CE2-CG2 3.79Å; F296-V300 HydrophobicContact CG-CG2 4.28Å; F296-V300 HydrophobicContact CZ-CG2 3.66Å; F296-V300 WeakPolarHBondContact O-CB 3.46Å; F296-V300 WeakPolarHBondContact O-CG2 2.99Å; F296-V300 PolarHBondContact O-N 3.41Å; V300-S303 PolarHBondContact O-N 3.19Å; V300-K339 HydrophobicContact CG1-CB 4.15Å; V300-K339 HydrophobicContact CG1-CG 4.46Å; V300-K339 HydrophobicContact CG2-CG 4.05Å; V300-V342 HydrophobicContact CB-CB 4.24Å; V300-V342 HydrophobicContact CB-CG1 4.22Å; V300-V342 HydrophobicContact CB-CG2 4.02Å; V300-V342 HydrophobicContact CG1-CB 3.79Å; V300-V342 HydrophobicContact CG1-CG1 4.08Å; V300-V342 HydrophobicContact CG1-CG2 3.96Å; V300-V342 HydrophobicContact CG2-CG2 4.29Å
301	R	93.6	Very high	95.9	Very high	122 Å²	122	73.8 Å²	73.8	46%	0.46	39%	0.386	S	S	.	.	H	α-helix	trans	-70.5	-30.8	178.7	-77.6	-177.7	172.5	157.6	2.4	114.3	K297 R298 S303 V342 Q343	K297-R301 WeakPolarHBondContact O-CB 3.26Å; K297-R301 WeakPolarHBondContact O-CG 3.46Å; K297-R301 PolarHBondContact O-N 2.88Å; R298-R301 PolarHBondContact O-N 2.9Å; R301-S303 VanDerWaalsContact C-N 3.3Å; R301-V342 HydrophobicContact CG-CG1 3.73Å; R301-Q343 VanDerWaalsContact CZ-O 3.32Å; R301-Q343 PolarHBondContact NE-O 3.31Å; R301-Q343 PolarHBondContact NH2-O 3.46Å
302	K	93.4	Very high	95.7	Very high	176 Å²	176	74.7 Å²	74.7	77%	0.765	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	1.4	173.2	-69.4	-165.6	173.8	-165	0	113.4	R298 A304	R298-K302 PolarHBondContact O-N 3.43Å; K302-A304 HydrophobicContact CB-CB 4.27Å; K302-A304 PolarHBondContact O-N 3.04Å
303	S	92.3	Very high	95.5	Very high	95 Å²	95	83.1 Å²	83.1	66%	0.664	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	42.1	-168.7	-62.1	0	0	0	0	112.2	S299 V300 R301 N305	S299-S303 PolarHBondContact O-N 3.38Å; V300-S303 PolarHBondContact O-N 3.19Å; R301-S303 VanDerWaalsContact C-N 3.3Å; S303-N305 PolarHBondContact O-N 3.24Å
304	A	93.2	Very high	95.5	Very high	19 Å²	19	82.1 Å²	82.1	16%	0.157	43%	0.433	C	S	.	.			trans	-72.8	112.7	-162.2	0	0	0	0	0	112.7	S299 K302 Y306	S299-A304 WeakPolarHBondContact O-CB 3.43Å; S299-A304 PolarHBondContact O-N 3.31Å; K302-A304 HydrophobicContact CB-CB 4.27Å; K302-A304 PolarHBondContact O-N 3.04Å; A304-Y306 HydrophobicContact CB-CE1 3.92Å; A304-Y306 HydrophobicContact CB-CE2 3.91Å; A304-Y306 PolarHBondContact O-N 3.34Å
305	N	94.1	Very high	95.4	Very high	160 Å²	160	84 Å²	84	86%	0.856	45%	0.445	S	S	*	.			trans	-91.3	87.6	175.6	-64.2	-31.4	0	0	0	109.9	S303	S303-N305 PolarHBondContact O-N 3.24Å
306	Y	96.8	Very high	95.4	Very high	72 Å²	72	83.9 Å²	83.9	28%	0.282	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-83.5	136.7	175.5	-52.9	-61	0	0	0	111.5	F295 S299 A304 Q325 A326 L329	F295-Y306 HydrophobicContact CE2-CE2 4.13Å; F295-Y306 HydrophobicContact CZ-CD2 4.41Å; F295-Y306 AromaticContact CZ-CE2 3.76Å; F295-Y306 HydrophobicContact CZ-CE2 3.76Å; S299-Y306 WeakPolarHBondContact OG-CE2 3.25Å; S299-Y306 PolarHBondContact OG-OH 3.36Å; A304-Y306 HydrophobicContact CB-CE1 3.92Å; A304-Y306 HydrophobicContact CB-CE2 3.91Å; A304-Y306 PolarHBondContact O-N 3.34Å; Y306-Q325 HydrophobicContact CD1-CB 3.91Å; Y306-Q325 HydrophobicContact CD2-CB 3.84Å; Y306-Q325 WeakPolarHBondContact CD2-O 3.36Å; Y306-Q325 HydrophobicContact CE1-CB 4.07Å; Y306-Q325 HydrophobicContact CE2-CB 3.99Å; Y306-Q325 HydrophobicContact CG-CB 3.8Å; Y306-A326 WeakPolarHBondContact O-CB 3.48Å; Y306-L329 HydrophobicContact CD2-CB 4.13Å; Y306-L329 HydrophobicContact CD2-CD2 3.75Å; Y306-L329 HydrophobicContact CE2-CB 4.44Å; Y306-L329 HydrophobicContact CE2-CD2 3.95Å
307	V	96.5	Very high	95.3	Very high	134 Å²	134	86.8 Å²	86.8	81%	0.812	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-101.2	138.5	171.4	-177.4	0	0	0	0	109.5
308	C	97.8	Very high	95.2	Very high	27 Å²	27	85.3 Å²	85.3	18%	0.182	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-86.6	131.3	173.7	-175	0	0	0	0	110.7	S310 G312 A326	C308-S310 VanDerWaalsContact C-N 3.27Å; C308-S310 PolarHBondContact O-N 3.17Å; C308-S310 PolarHBondContact SG-N 3.19Å; C308-G312 PolarHBondContact SG-N 3.06Å; C308-A326 HydrophobicContact CB-CB 3.87Å
309	R	95	Very high	95.2	Very high	250 Å²	250	87.6 Å²	87.6	94%	0.943	48%	0.479	S	S	*	.	S	Bend	trans	-78.3	-7.5	174.6	-62.7	-178.3	-179.3	173	-1.2	113.9
310	S	93.1	Very high	95	Very high	81 Å²	81	94.2 Å²	94.2	57%	0.566	50%	0.503	S	S	*	.	S	Bend	trans	-135	53.5	-170	-46.8	0	0	0	0	111.4	C308 G312 Q313	C308-S310 VanDerWaalsContact C-N 3.27Å; C308-S310 PolarHBondContact O-N 3.17Å; C308-S310 PolarHBondContact SG-N 3.19Å; S310-G312 PolarHBondContact O-N 3.35Å; S310-Q313 PolarHBondContact O-N 3.33Å
311	G	93.6	Very high	95	Very high	74 Å²	74	94.8 Å²	94.8	76%	0.763	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	7.2	170.7	0	0	0	0	0	117
312	G	94	Very high	95.1	Very high	42 Å²	42	94.7 Å²	94.7	43%	0.433	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	2	-179.8	0	0	0	0	0	115.5	C308 S310 C327	C308-G312 PolarHBondContact SG-N 3.06Å; S310-G312 PolarHBondContact O-N 3.35Å; G312-C327 PolarHBondContact O-SG 3.15Å
313	Q	94.7	Very high	95.2	Very high	176 Å²	176	94.1 Å²	94.1	82%	0.822	51%	0.511	S	S	*	.			trans	-107.5	15.7	-170	-58.4	-176.4	10.2	0	0	114.9	S310	S310-Q313 PolarHBondContact O-N 3.33Å
314	C	97	Very high	95.5	Very high	25 Å²	25	90.5 Å²	90.5	17%	0.169	49%	0.485	C	S	.	.			trans	-60.1	138.1	-179.9	-52.6	0	0	0	0	112	C324 C327	C314-C324 HydrophobicContact CB-CB 3.72Å; C314-C327 HydrophobicContact CB-CB 3.89Å; C314-C327 PolarHBondContact N-SG 2.94Å; C314-C327 VanDerWaalsContact N-SG 3.41Å
315	P	96	Very high	95.7	Very high	63 Å²	63	94.4 Å²	94.4	41%	0.409	50%	0.5	S	S	.	.			trans	-64.5	151.9	174.9	28.6	-35.4	0	0	0	111.4
316	V	97.1	Very high	95.9	Very high	6 Å²	6	87.6 Å²	87.6	4%	0.036	47%	0.465	C	S	.	.			trans	-136.1	77.6	-173.3	-173.6	0	0	0	0	108.6	V274 C275 R321 C327 R328 R331	V274-V316 HydrophobicContact CG1-CG1 4.37Å; C275-V316 WeakPolarHBondContact CA-O 3.34Å; C275-V316 HydrophobicContact CB-CG1 4.2Å; C275-V316 VanDerWaalsContact CB-O 3.22Å; C275-V316 WeakPolarHBondContact CB-O 3.49Å; V316-R321 HydrophobicContact CG1-CB 3.96Å; V316-C327 HydrophobicContact CG2-CB 4.11Å; V316-R328 HydrophobicContact CG1-CB 4.17Å; V316-R328 HydrophobicContact CG1-CG 3.95Å; V316-R331 HydrophobicContact CB-CG 4.18Å; V316-R331 HydrophobicContact CG1-CB 4.49Å; V316-R331 HydrophobicContact CG2-CB 4.47Å; V316-R331 HydrophobicContact CG2-CG 3.96Å
317	D	96.5	Very high	96	Very high	61 Å²	61	84.4 Å²	84.4	33%	0.326	45%	0.454	S	S	.	.			trans	-113.3	169.4	-175.2	-28.7	-58.6	0	0	0	110.3	C275 Q319 R320 R321	C275-D317 CarbonylContact O-C 3.51Å; D317-Q319 VanDerWaalsContact C-N 3.25Å; D317-Q319 CarbonylContact O-C 3.59Å; D317-Q319 PolarHBondContact O-N 3.04Å; D317-Q319 VanDerWaalsContact O-N 3.11Å; D317-R320 PolarHBondContact O-N 2.71Å; D317-R320 VanDerWaalsContact O-N 3.14Å; D317-R320 IonicContact OD2-CZ 2.67Å; D317-R320 IonicContact OD2-NE 3.36Å; D317-R320 PolarHBondContact OD2-NE 3.36Å; D317-R320 IonicContact OD2-NH2 2.73Å; D317-R320 PolarHBondContact OD2-NH2 3.28Å; D317-R321 WeakPolarHBondContact O-CB 3.5Å; D317-R321 WeakPolarHBondContact O-CG 3.38Å; D317-R321 PolarHBondContact O-N 2.89Å
318	A	95.5	Very high	96	Very high	42 Å²	42	78.5 Å²	78.5	35%	0.347	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-42.9	-175.1	0	0	0	0	0	113.9	C275 D277 R321	C275-A318 PolarHBondContact O-N 3.41Å; D277-A318 HydrophobicContact CB-CB 3.88Å; A318-R321 VanDerWaalsContact O-CD 3.29Å; A318-R321 WeakPolarHBondContact O-CD 2.99Å; A318-R321 PolarHBondContact O-NE 2.8Å
319	Q	95.2	Very high	96.1	Very high	181 Å²	181	78.3 Å²	78.3	85%	0.846	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-53.8	173.1	-65.7	174	-17	0	0	112	D317 R321	D317-Q319 VanDerWaalsContact C-N 3.25Å; D317-Q319 CarbonylContact O-C 3.59Å; D317-Q319 PolarHBondContact O-N 3.04Å; D317-Q319 VanDerWaalsContact O-N 3.11Å; Q319-R321 PolarHBondContact O-N 3.41Å
320	R	94.1	Very high	96.2	Very high	141 Å²	141	69.2 Å²	69.2	53%	0.532	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-82.4	-10.1	-165.6	-59.9	-169.6	-62.6	-164.6	-2.2	115.8	D317 N322 Q323	D317-R320 PolarHBondContact O-N 2.71Å; D317-R320 VanDerWaalsContact O-N 3.14Å; D317-R320 IonicContact OD2-CZ 2.67Å; D317-R320 IonicContact OD2-NE 3.36Å; D317-R320 PolarHBondContact OD2-NE 3.36Å; D317-R320 IonicContact OD2-NH2 2.73Å; D317-R320 PolarHBondContact OD2-NH2 3.28Å; R320-N322 PolarHBondContact O-N 3.44Å; R320-Q323 WeakPolarHBondContact O-CB 3.43Å; R320-Q323 PolarHBondContact O-N 3.39Å
321	R	95.7	Very high	96.4	Very high	44 Å²	44	71.9 Å²	71.9	17%	0.166	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-51.3	-17.5	-179.9	59.8	-167.2	175.6	174.8	-13.9	116.8	C275 D277 C289 V316 D317 A318 Q319 R328	C275-R321 HydrophobicContact CB-CB 4.34Å; C275-R321 PolarHBondContact SG-NH1 2.85Å; D277-R321 IonicContact OD2-CZ 3.95Å; D277-R321 IonicContact OD2-NH1 2.62Å; D277-R321 PolarHBondContact OD2-NH1 2.85Å; D277-R321 IonicContact OD2-NH2 3.69Å; D277-R321 PolarHBondContact OD2-NH2 3.04Å; C289-R321 PolarHBondContact SG-NH1 2.81Å; V316-R321 HydrophobicContact CG1-CB 3.96Å; D317-R321 WeakPolarHBondContact O-CB 3.5Å; D317-R321 WeakPolarHBondContact O-CG 3.38Å; D317-R321 PolarHBondContact O-N 2.89Å; A318-R321 VanDerWaalsContact O-CD 3.29Å; A318-R321 WeakPolarHBondContact O-CD 2.99Å; A318-R321 PolarHBondContact O-NE 2.8Å; Q319-R321 PolarHBondContact O-N 3.41Å; R321-R328 VanDerWaalsContact O-CD 3.32Å; R321-R328 WeakPolarHBondContact O-CD 3.33Å; R321-R328 PolarHBondContact O-NH1 3.41Å
322	N	96.1	Very high	96.6	Very high	119 Å²	119	68.3 Å²	68.3	64%	0.636	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-83.5	-19.2	176.2	-68.7	-15.1	0	0	0	113	R320 C324 R328	R320-N322 PolarHBondContact O-N 3.44Å; N322-C324 VanDerWaalsContact C-N 3.34Å; N322-C324 PolarHBondContact O-N 3.35Å; N322-R328 PolarHBondContact OD1-NH1 3.4Å
323	Q	95.7	Very high	96.8	Very high	165 Å²	165	69.3 Å²	69.3	77%	0.771	35%	0.345	S	S	*	.	S	Bend	trans	-62.3	-34.2	-171.7	-170	65.4	6.3	0	0	114.1	R320	R320-Q323 WeakPolarHBondContact O-CB 3.43Å; R320-Q323 PolarHBondContact O-N 3.39Å
324	C	97.9	Very high	96.9	Very high	18 Å²	18	67.3 Å²	67.3	12%	0.122	34%	0.339	C	S	.	.			trans	-140.8	109.2	176.6	-169.6	0	0	0	0	112.7	C314 N322 A326 C327 R328	C314-C324 HydrophobicContact CB-CB 3.72Å; N322-C324 VanDerWaalsContact C-N 3.34Å; N322-C324 PolarHBondContact O-N 3.35Å; C324-A326 VanDerWaalsContact C-N 3.29Å; C324-A326 PolarHBondContact O-N 2.93Å; C324-C327 HydrophobicContact CB-CB 4.03Å; C324-C327 PolarHBondContact O-N 2.8Å; C324-C327 VanDerWaalsContact SG-SG 3.63Å; C324-R328 WeakPolarHBondContact O-CB 3.29Å; C324-R328 PolarHBondContact O-N 3.25Å
325	Q	97.7	Very high	96.9	Very high	102 Å²	102	67.2 Å²	67.2	48%	0.477	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-32.7	178.4	-60.3	-178.8	0.1	0	0	112.2	F295 Y306 L329	F295-Q325 HydrophobicContact CE2-CB 4.08Å; F295-Q325 HydrophobicContact CE2-CG 4.16Å; F295-Q325 HydrophobicContact CZ-CB 4.17Å; F295-Q325 WeakPolarHBondContact CZ-O 3.08Å; Y306-Q325 HydrophobicContact CD1-CB 3.91Å; Y306-Q325 HydrophobicContact CD2-CB 3.84Å; Y306-Q325 WeakPolarHBondContact CD2-O 3.36Å; Y306-Q325 HydrophobicContact CE1-CB 4.07Å; Y306-Q325 HydrophobicContact CE2-CB 3.99Å; Y306-Q325 HydrophobicContact CG-CB 3.8Å; Q325-L329 VanDerWaalsContact O-CB 3.32Å; Q325-L329 WeakPolarHBondContact O-CB 3.45Å; Q325-L329 PolarHBondContact O-N 2.75Å
326	A	97.8	Very high	96.9	Very high	16 Å²	16	65.6 Å²	65.6	13%	0.132	34%	0.335	C	S	.	.	H	α-helix	trans	-66.2	-52	175.8	0	0	0	0	0	112.3	Y306 C308 C324 R328 L329 S330	Y306-A326 WeakPolarHBondContact O-CB 3.48Å; C308-A326 HydrophobicContact CB-CB 3.87Å; C324-A326 VanDerWaalsContact C-N 3.29Å; C324-A326 PolarHBondContact O-N 2.93Å; A326-R328 VanDerWaalsContact C-N 3.34Å; A326-R328 PolarHBondContact O-N 2.89Å; A326-L329 PolarHBondContact O-N 3.31Å; A326-S330 WeakPolarHBondContact O-CB 3.2Å; A326-S330 PolarHBondContact O-N 3.29Å
327	C	98.2	Very high	97	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-39.1	178.5	-61.9	0	0	0	0	111.8	G312 C314 V316 C324 S330 R331	G312-C327 PolarHBondContact O-SG 3.15Å; C314-C327 HydrophobicContact CB-CB 3.89Å; C314-C327 PolarHBondContact N-SG 2.94Å; C314-C327 VanDerWaalsContact N-SG 3.41Å; V316-C327 HydrophobicContact CG2-CB 4.11Å; C324-C327 HydrophobicContact CB-CB 4.03Å; C324-C327 PolarHBondContact O-N 2.8Å; C324-C327 VanDerWaalsContact SG-SG 3.63Å; C327-S330 PolarHBondContact O-N 3.37Å; C327-R331 WeakPolarHBondContact O-CB 3.44Å; C327-R331 PolarHBondContact O-N 2.87Å
328	R	98.3	Very high	96.9	Very high	10 Å²	10	68.6 Å²	68.6	4%	0.038	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-44.5	173.7	-168.5	-171.6	-165	153.5	-0.7	112.4	G291 C292 F295 V316 R321 N322 C324 A326 S330 R331 C332	G291-R328 VanDerWaalsContact C-NH2 3.34Å; G291-R328 PolarHBondContact O-NH2 2.98Å; C292-R328 PolarHBondContact SG-NE 2.85Å; C292-R328 PolarHBondContact SG-NH2 3.1Å; C292-R328 VanDerWaalsContact SG-NH2 3.38Å; F295-R328 HydrophobicContact CD1-CG 3.9Å; F295-R328 HydrophobicContact CE1-CB 3.98Å; F295-R328 HydrophobicContact CE1-CG 3.77Å; F295-R328 HydrophobicContact CZ-CB 4.15Å; F295-R328 HydrophobicContact CZ-CG 4.3Å; V316-R328 HydrophobicContact CG1-CB 4.17Å; V316-R328 HydrophobicContact CG1-CG 3.95Å; R321-R328 VanDerWaalsContact O-CD 3.32Å; R321-R328 WeakPolarHBondContact O-CD 3.33Å; R321-R328 PolarHBondContact O-NH1 3.41Å; N322-R328 PolarHBondContact OD1-NH1 3.4Å; C324-R328 WeakPolarHBondContact O-CB 3.29Å; C324-R328 PolarHBondContact O-N 3.25Å; A326-R328 VanDerWaalsContact C-N 3.34Å; A326-R328 PolarHBondContact O-N 2.89Å; R328-S330 VanDerWaalsContact C-N 3.34Å; R328-R331 PolarHBondContact O-N 3.35Å; R328-C332 PolarHBondContact O-N 2.66Å; R328-C332 PolarHBondContact O-SG 3.29Å
329	L	98.1	Very high	96.9	Very high	24 Å²	24	72.4 Å²	72.4	13%	0.126	35%	0.353	C	S	.	.	H	α-helix	trans	-66.8	-37.2	178.2	-174.7	60.1	0	0	0	111.8	F295 F296 Y306 Q325 A326 C332 L333	F295-L329 HydrophobicContact CE1-CB 3.9Å; F295-L329 HydrophobicContact CE1-CD1 4.25Å; F295-L329 HydrophobicContact CZ-CB 4.11Å; F296-L329 HydrophobicContact CD2-CD1 4.13Å; F296-L329 HydrophobicContact CE2-CD1 4.48Å; Y306-L329 HydrophobicContact CD2-CB 4.13Å; Y306-L329 HydrophobicContact CD2-CD2 3.75Å; Y306-L329 HydrophobicContact CE2-CB 4.44Å; Y306-L329 HydrophobicContact CE2-CD2 3.95Å; Q325-L329 VanDerWaalsContact O-CB 3.32Å; Q325-L329 WeakPolarHBondContact O-CB 3.45Å; Q325-L329 PolarHBondContact O-N 2.75Å; A326-L329 PolarHBondContact O-N 3.31Å; L329-C332 PolarHBondContact O-N 2.92Å; L329-L333 HydrophobicContact CG-CD1 4.37Å; L329-L333 WeakPolarHBondContact O-CG 3.21Å; L329-L333 PolarHBondContact O-N 2.94Å; L329-L333 VanDerWaalsContact O-N 3.1Å
330	S	97.3	Very high	96.8	Very high	58 Å²	58	69.2 Å²	69.2	41%	0.406	35%	0.351	S	S	.	.	H	α-helix	trans	-59.4	-52.4	170.8	-171.7	0	0	0	0	111	A326 C327 R328 C332 L333 L334	A326-S330 WeakPolarHBondContact O-CB 3.2Å; A326-S330 PolarHBondContact O-N 3.29Å; C327-S330 PolarHBondContact O-N 3.37Å; R328-S330 VanDerWaalsContact C-N 3.34Å; S330-C332 PolarHBondContact O-N 3.42Å; S330-L333 PolarHBondContact O-N 3.46Å; S330-L334 WeakPolarHBondContact O-CB 3.48Å; S330-L334 WeakPolarHBondContact O-CG 3.35Å; S330-L334 PolarHBondContact O-N 2.89Å
331	R	97.6	Very high	96.7	Very high	137 Å²	137	64.9 Å²	64.9	52%	0.517	35%	0.345	S	S	.	.	H	α-helix	trans	-57.7	-40.2	175	-82.3	-75.9	-173.7	128.4	-2.6	113.1	V274 V316 C327 R328 L333 L334 A335	V274-R331 HydrophobicContact CG1-CB 4.09Å; V316-R331 HydrophobicContact CB-CG 4.18Å; V316-R331 HydrophobicContact CG1-CB 4.49Å; V316-R331 HydrophobicContact CG2-CB 4.47Å; V316-R331 HydrophobicContact CG2-CG 3.96Å; C327-R331 WeakPolarHBondContact O-CB 3.44Å; C327-R331 PolarHBondContact O-N 2.87Å; R328-R331 PolarHBondContact O-N 3.35Å; R331-L333 VanDerWaalsContact C-N 3.32Å; R331-L333 PolarHBondContact O-N 3.22Å; R331-L334 PolarHBondContact O-N 2.96Å; R331-A335 VanDerWaalsContact O-CB 3.26Å; R331-A335 WeakPolarHBondContact O-CB 3.38Å; R331-A335 PolarHBondContact O-N 3.46Å
332	C	98.3	Very high	96.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.3	-42.7	172.9	-70.3	0	0	0	0	112.5	V274 F296 R328 L329 S330 M337	V274-C332 HydrophobicContact CG2-CB 4.5Å; F296-C332 HydrophobicContact CD2-CB 3.64Å; F296-C332 HydrophobicContact CE2-CB 4.18Å; R328-C332 PolarHBondContact O-N 2.66Å; R328-C332 PolarHBondContact O-SG 3.29Å; L329-C332 PolarHBondContact O-N 2.92Å; S330-C332 PolarHBondContact O-N 3.42Å; C332-M337 HydrophobicContact CB-CG 4.4Å; C332-M337 HydrophobicContact CB-SD 3.61Å; C332-M337 VanDerWaalsContact O-CB 3.22Å; C332-M337 WeakPolarHBondContact O-CB 3.46Å; C332-M337 VanDerWaalsContact O-CG 3.24Å; C332-M337 WeakPolarHBondContact O-CG 3.34Å; C332-M337 PolarHBondContact O-N 2.86Å
333	L	97.4	Very high	95.8	Very high	62 Å²	62	63.3 Å²	63.3	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-75.2	-40.5	-179.1	-68.5	169.4	0	0	0	112	F296 L329 S330 R331 G336 K339	F296-L333 HydrophobicContact CE2-CD2 3.74Å; F296-L333 HydrophobicContact CE2-CG 4.31Å; F296-L333 HydrophobicContact CZ-CD2 4.2Å; L329-L333 HydrophobicContact CG-CD1 4.37Å; L329-L333 WeakPolarHBondContact O-CG 3.21Å; L329-L333 PolarHBondContact O-N 2.94Å; L329-L333 VanDerWaalsContact O-N 3.1Å; S330-L333 PolarHBondContact O-N 3.46Å; R331-L333 VanDerWaalsContact C-N 3.32Å; R331-L333 PolarHBondContact O-N 3.22Å; L333-G336 WeakPolarHBondContact O-CA 3.41Å; L333-G336 PolarHBondContact O-N 2.76Å; L333-K339 HydrophobicContact CD2-CD 4.2Å; L333-K339 VanDerWaalsContact CD2-CE 3.43Å; L333-K339 HydrophobicContact CD2-CG 3.8Å
334	L	97.2	Very high	94.6	Very high	135 Å²	135	66.4 Å²	66.4	71%	0.707	34%	0.341	S	S	*	.	H	α-helix	trans	-63.7	-38.2	175.4	-70.7	168.7	0	0	0	112.2	S330 R331 G336	S330-L334 WeakPolarHBondContact O-CB 3.48Å; S330-L334 WeakPolarHBondContact O-CG 3.35Å; S330-L334 PolarHBondContact O-N 2.89Å; R331-L334 PolarHBondContact O-N 2.96Å; L334-G336 PolarHBondContact O-N 3.4Å
335	A	96.6	Very high	92.8	Very high	22 Å²	22	69.9 Å²	69.9	18%	0.182	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.4	170.9	0	0	0	0	0	112.8	Q273 V274 Q286 R331	Q273-A335 HydrophobicContact CB-CB 4.27Å; Q273-A335 WeakPolarHBondContact O-CB 3.27Å; V274-A335 HydrophobicContact CG2-CB 3.9Å; Q286-A335 VanDerWaalsContact CG-O 3.22Å; Q286-A335 WeakPolarHBondContact CG-O 3.39Å; Q286-A335 PolarHBondContact NE2-O 2.85Å; R331-A335 VanDerWaalsContact O-CB 3.26Å; R331-A335 WeakPolarHBondContact O-CB 3.38Å; R331-A335 PolarHBondContact O-N 3.46Å
336	G	97.1	Very high	90.9	Very high	30 Å²	30	70.4 Å²	70.4	31%	0.309	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	19.4	176.8	0	0	0	0	0	115.5	L333 L334 K338	L333-G336 WeakPolarHBondContact O-CA 3.41Å; L333-G336 PolarHBondContact O-N 2.76Å; L334-G336 PolarHBondContact O-N 3.4Å; G336-K338 PolarHBondContact O-N 3.07Å
337	M	97.8	Very high	88.6	Confident	4 Å²	4	74 Å²	74	2%	0.02	40%	0.399	C	S	.	.			trans	-63.9	121	173.2	-61	-176.9	81.9	0	0	110.4	V274 Y284 Q286 T288 F296 C332 K339	V274-M337 HydrophobicContact CG2-SD 3.99Å; Y284-M337 HydrophobicContact CD2-CE 3.89Å; Q286-M337 HydrophobicContact CB-CG 4.35Å; T288-M337 HydrophobicContact CG2-CE 3.99Å; T288-M337 HydrophobicContact CG2-CG 4.42Å; T288-M337 HydrophobicContact CG2-SD 3.9Å; F296-M337 HydrophobicContact CB-CE 3.69Å; F296-M337 HydrophobicContact CB-SD 4.07Å; F296-M337 HydrophobicContact CD1-CB 4.14Å; F296-M337 HydrophobicContact CD1-CE 3.94Å; F296-M337 HydrophobicContact CD2-CB 4Å; F296-M337 HydrophobicContact CD2-SD 4.12Å; F296-M337 HydrophobicContact CE1-CB 3.84Å; F296-M337 HydrophobicContact CE2-CB 3.69Å; F296-M337 HydrophobicContact CG-CB 4.21Å; F296-M337 HydrophobicContact CG-CE 3.8Å; F296-M337 HydrophobicContact CG-SD 4Å; F296-M337 HydrophobicContact CZ-CB 3.6Å; F296-M337 WeakPolarHBondContact CZ-O 3.44Å; C332-M337 HydrophobicContact CB-CG 4.4Å; C332-M337 HydrophobicContact CB-SD 3.61Å; C332-M337 VanDerWaalsContact O-CB 3.22Å; C332-M337 WeakPolarHBondContact O-CB 3.46Å; C332-M337 VanDerWaalsContact O-CG 3.24Å; C332-M337 WeakPolarHBondContact O-CG 3.34Å; C332-M337 PolarHBondContact O-N 2.86Å; M337-K339 PolarHBondContact O-N 2.89Å
338	K	96.3	Very high	86	Confident	125 Å²	125	79.3 Å²	79.3	54%	0.543	43%	0.427	S	S	.	.			trans	-84.1	112.3	-169.4	-60.5	-177.9	-179	-180	0	111.2	Y284 G336 S340 A341	Y284-K338 WeakPolarHBondContact O-CB 3.49Å; Y284-K338 PolarHBondContact O-N 3.43Å; G336-K338 PolarHBondContact O-N 3.07Å; K338-S340 PolarHBondContact O-N 3.06Å; K338-A341 HydrophobicContact CB-CB 4.22Å; K338-A341 WeakPolarHBondContact O-CB 3.12Å; K338-A341 PolarHBondContact O-N 3.49Å
339	K	95.2	Very high	83.2	Confident	123 Å²	123	83.8 Å²	83.8	54%	0.535	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-53.8	-36.2	175	-64.3	-172.8	-178.6	179.3	0	112.2	F296 V300 L333 M337 A341 V342	F296-K339 HydrophobicContact CZ-CG 4.12Å; V300-K339 HydrophobicContact CG1-CB 4.15Å; V300-K339 HydrophobicContact CG1-CG 4.46Å; V300-K339 HydrophobicContact CG2-CG 4.05Å; L333-K339 HydrophobicContact CD2-CD 4.2Å; L333-K339 VanDerWaalsContact CD2-CE 3.43Å; L333-K339 HydrophobicContact CD2-CG 3.8Å; M337-K339 PolarHBondContact O-N 2.89Å; K339-A341 VanDerWaalsContact C-N 3.3Å; K339-A341 PolarHBondContact O-N 3.36Å; K339-V342 WeakPolarHBondContact O-CB 3.16Å; K339-V342 PolarHBondContact O-N 3.45Å; K339-V342 VanDerWaalsContact O-N 3.12Å
340	S	93.4	Very high	80.6	Confident	113 Å²	113	90.5 Å²	90.5	79%	0.79	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-65.3	-25	178.2	49	0	0	0	0	114.5	K338 V342	K338-S340 PolarHBondContact O-N 3.06Å; S340-V342 PolarHBondContact O-N 3.47Å
341	A	92	Very high	77.7	Confident	50 Å²	50	93.8 Å²	93.8	41%	0.413	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-77.3	-10.1	174.8	0	0	0	0	0	112.7	Y284 K338 K339 Q343	Y284-A341 HydrophobicContact CD1-CB 3.89Å; K338-A341 HydrophobicContact CB-CB 4.22Å; K338-A341 WeakPolarHBondContact O-CB 3.12Å; K338-A341 PolarHBondContact O-N 3.49Å; K339-A341 VanDerWaalsContact C-N 3.3Å; K339-A341 PolarHBondContact O-N 3.36Å; A341-Q343 PolarHBondContact O-N 3.47Å
342	V	90.8	Very high	74.7	Confident	9 Å²	9	97 Å²	97	6%	0.055	52%	0.517	C	S	.	.	S	Bend	trans	-84.8	98.2	171.9	-173.7	0	0	0	0	108.5	Y284 F296 V300 R301 K339 S340 R344	Y284-V342 HydrophobicContact CD1-CG2 3.64Å; Y284-V342 HydrophobicContact CE1-CB 4.34Å; Y284-V342 HydrophobicContact CE1-CG2 3.72Å; Y284-V342 HydrophobicContact CG-CG2 4.12Å; F296-V342 HydrophobicContact CD1-CG2 3.83Å; F296-V342 HydrophobicContact CE1-CG2 3.6Å; V300-V342 HydrophobicContact CB-CB 4.24Å; V300-V342 HydrophobicContact CB-CG1 4.22Å; V300-V342 HydrophobicContact CB-CG2 4.02Å; V300-V342 HydrophobicContact CG1-CB 3.79Å; V300-V342 HydrophobicContact CG1-CG1 4.08Å; V300-V342 HydrophobicContact CG1-CG2 3.96Å; V300-V342 HydrophobicContact CG2-CG2 4.29Å; R301-V342 HydrophobicContact CG-CG1 3.73Å; K339-V342 WeakPolarHBondContact O-CB 3.16Å; K339-V342 PolarHBondContact O-N 3.45Å; K339-V342 VanDerWaalsContact O-N 3.12Å; S340-V342 PolarHBondContact O-N 3.47Å; V342-R344 PolarHBondContact O-N 3.1Å
343	Q	82	Confident	71.9	Confident	122 Å²	122	104.6 Å²	104.6	57%	0.57	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-48.3	127.5	171.6	-68	176.5	-1.9	0	0	110.2	R301 A341	R301-Q343 VanDerWaalsContact CZ-O 3.32Å; R301-Q343 PolarHBondContact NE-O 3.31Å; R301-Q343 PolarHBondContact NH2-O 3.46Å; A341-Q343 PolarHBondContact O-N 3.47Å
344	R	70.3	Confident	68.6	Low	229 Å²	229	107.1 Å²	107.1	86%	0.864	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-58.7	171.8	166.9	-63.2	-178.8	-177.1	173	1.3	109.6	V342 R346	V342-R344 PolarHBondContact O-N 3.1Å; R344-R346 PolarHBondContact O-N 2.86Å
345	A	58.7	Low	65.6	Low	92 Å²	92	106 Å²	106	76%	0.76	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-54.4	141.2	169.7	0	0	0	0	0	109.6
346	R	58.6	Low	62.5	Low	113 Å²	113	111.4 Å²	111.4	43%	0.426	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-65.1	137.8	161.8	-81.1	179.8	179	157.5	-7.7	105.5	R344 N348 R451 Y453	R344-R346 PolarHBondContact O-N 2.86Å; R346-N348 PolarHBondContact O-N 2.96Å; R346-R451 VanDerWaalsContact NH1-NH1 3.15Å; R346-R451 PolarHBondContact NH1-O 3.03Å; R346-Y453 HydrophobicContact CB-CE2 4.33Å; R346-Y453 WeakPolarHBondContact CB-OH 3.47Å; R346-Y453 VanDerWaalsContact CD-CE2 3.43Å
347	A	48.6	Very low	59.6	Low	91 Å²	91	115.6 Å²	115.6	75%	0.752	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-62.6	129.7	166	0	0	0	0	0	107.6	T349	A347-T349 PolarHBondContact O-N 3.22Å
348	N	45.1	Very low	56.6	Low	116 Å²	116	121.2 Å²	121.2	62%	0.62	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-77.1	118.8	176.5	-65.8	-15.4	0	0	0	107.7	R346 Q350 Y453	R346-N348 PolarHBondContact O-N 2.96Å; N348-Q350 PolarHBondContact O-N 2.8Å; N348-Y453 PolarHBondContact OD1-OH 2.89Å
349	T	39.4	Very low	53.8	Low	104 Å²	104	124.7 Å²	124.7	64%	0.638	68%	0.681	S	S	*	*	S	Bend	trans	-78.1	64.2	-176.7	41.2	0	0	0	0	112	A347 Y352	A347-T349 PolarHBondContact O-N 3.22Å; T349-Y352 HydrophobicContact CG2-CE2 4.17Å
350	Q	43.6	Very low	50.9	Low	165 Å²	165	123.4 Å²	123.4	77%	0.771	69%	0.687	S	S	*	*			trans	-136.8	16.2	173.5	-75.1	-172	-20.7	0	0	113.4	N348	N348-Q350 PolarHBondContact O-N 2.8Å
351	T	34.8	Very low	48.5	Very low	127 Å²	127	120.4 Å²	120.4	78%	0.779	67%	0.666	S	S	*	*			trans	-132	57.2	173.9	44.4	0	0	0	0	112.5	L353	T351-L353 PolarHBondContact O-N 2.93Å
352	Y	35.7	Very low	46.1	Very low	205 Å²	205	125.7 Å²	125.7	80%	0.804	68%	0.677	S	S	*	*			trans	-77.4	48.3	167.6	-80.2	-79.6	0	0	0	112.5	T349	T349-Y352 HydrophobicContact CG2-CE2 4.17Å
353	L	40.4	Very low	44	Very low	159 Å²	159	129.4 Å²	129.4	83%	0.832	70%	0.701	S	S	*	*	S	Bend	trans	-150.1	103.5	170.8	-105.2	168.4	0	0	0	111	T351	T351-L353 PolarHBondContact O-N 2.93Å
354	C	28	Very low	42.4	Very low	116 Å²	116	127.9 Å²	127.9	78%	0.784	70%	0.7	S	S	*	*			trans	28.1	103.8	166	-158	0	0	0	0	120.1
355	S	32.7	Very low	41.4	Very low	110 Å²	110	122.4 Å²	122.4	77%	0.769	69%	0.686	S	S	*	*			trans	-156.2	85.4	145.1	-81.6	0	0	0	0	111.3
356	T	31.6	Very low	40.7	Very low	137 Å²	137	120.7 Å²	120.7	84%	0.84	67%	0.673	S	S	*	*			trans	31.5	87.7	150.2	45.8	0	0	0	0	119
357	T	37.4	Very low	40.2	Very low	117 Å²	117	118.2 Å²	118.2	72%	0.718	68%	0.676	S	S	*	*			trans	-126.8	141.7	150.3	54.6	0	0	0	0	110.6	Y359	T357-Y359 PolarHBondContact O-N 3.25Å
358	P	35.2	Very low	40.4	Very low	123 Å²	123	116.5 Å²	116.5	80%	0.799	66%	0.662	S	S	*	*			trans	-86.1	76.4	-158.7	33.9	-37.9	0	0	0	114	S360	P358-S360 PolarHBondContact O-N 2.9Å; P358-S360 VanDerWaalsContact O-N 3.1Å
359	Y	37	Very low	40.7	Very low	198 Å²	198	114 Å²	114	78%	0.776	66%	0.657	S	S	*	*			trans	-81.4	42.7	166.4	-105.2	-88.2	0	0	0	113.1	T357 Y362	T357-Y359 PolarHBondContact O-N 3.25Å; Y359-Y362 HydrophobicContact CD1-CD2 4.26Å; Y359-Y362 HydrophobicContact CE1-CD2 4.19Å; Y359-Y362 HydrophobicContact CE1-CE2 4.08Å
360	S	33.4	Very low	41.7	Very low	95 Å²	95	113.9 Å²	113.9	66%	0.664	66%	0.656	S	S	*	*			trans	-113.7	98.5	173.9	-170.7	0	0	0	0	110.1	P358	P358-S360 PolarHBondContact O-N 2.9Å; P358-S360 VanDerWaalsContact O-N 3.1Å
361	S	42.8	Very low	42.4	Very low	51 Å²	51	108.5 Å²	108.5	36%	0.357	64%	0.64	S	S	.	*	S	Bend	trans	-177.9	-37.8	173.6	34.7	0	0	0	0	111.5	V364 I365	S361-V364 WeakPolarHBondContact O-CA 3.37Å; S361-V364 WeakPolarHBondContact O-CB 3.32Å; S361-V364 PolarHBondContact O-N 2.8Å; S361-I365 PolarHBondContact O-N 3.49Å; S361-I365 VanDerWaalsContact O-N 3.08Å
362	Y	43.2	Very low	43.5	Very low	160 Å²	160	105.3 Å²	105.3	63%	0.627	63%	0.626	S	S	*	*	H	α-helix	trans	-55.2	-37.8	176.5	-77.9	-80.7	0	0	0	116.1	Y359 V364 A366	Y359-Y362 HydrophobicContact CD1-CD2 4.26Å; Y359-Y362 HydrophobicContact CE1-CD2 4.19Å; Y359-Y362 HydrophobicContact CE1-CE2 4.08Å; Y362-V364 VanDerWaalsContact C-N 3.32Å; Y362-A366 PolarHBondContact O-N 3.45Å
363	P	44.7	Very low	44.4	Very low	87 Å²	87	98.5 Å²	98.5	57%	0.565	61%	0.612	S	S	*	*	H	α-helix	trans	-72.2	-24.9	171.9	28.3	-34.4	0	0	0	113.1	A367	P363-A367 VanDerWaalsContact O-CB 3.31Å; P363-A367 WeakPolarHBondContact O-CB 3.19Å; P363-A367 PolarHBondContact O-N 3.3Å
364	V	49.9	Very low	45	Very low	91 Å²	91	93.3 Å²	93.3	55%	0.552	59%	0.592	S	S	*	*	H	α-helix	trans	-75.7	-41.2	-178.6	-174.4	0	0	0	0	111.1	S361 Y362 A366 A367 A368	S361-V364 WeakPolarHBondContact O-CA 3.37Å; S361-V364 WeakPolarHBondContact O-CB 3.32Å; S361-V364 PolarHBondContact O-N 2.8Å; Y362-V364 VanDerWaalsContact C-N 3.32Å; V364-A366 VanDerWaalsContact C-N 3.33Å; V364-A366 PolarHBondContact O-N 2.9Å; V364-A367 PolarHBondContact O-N 2.98Å; V364-A368 VanDerWaalsContact O-CB 3.3Å; V364-A368 WeakPolarHBondContact O-CB 3.15Å; V364-A368 PolarHBondContact O-N 3.37Å
365	I	48.9	Very low	46.3	Very low	113 Å²	113	92 Å²	92	58%	0.579	58%	0.581	S	S	*	*	H	α-helix	trans	-64.9	-39.8	177	-61.7	168.2	0	0	0	110.4	S361 A369	S361-I365 PolarHBondContact O-N 3.49Å; S361-I365 VanDerWaalsContact O-N 3.08Å; I365-A369 WeakPolarHBondContact O-CB 3.49Å; I365-A369 PolarHBondContact O-N 3.34Å
366	A	44.9	Very low	47.2	Very low	57 Å²	57	90.5 Å²	90.5	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-65	-46	173.8	0	0	0	0	0	112.2	Y362 V364 A368 A369 V370	Y362-A366 PolarHBondContact O-N 3.45Å; V364-A366 VanDerWaalsContact C-N 3.33Å; V364-A366 PolarHBondContact O-N 2.9Å; A366-A368 PolarHBondContact O-N 2.99Å; A366-A369 PolarHBondContact O-N 2.94Å; A366-V370 WeakPolarHBondContact O-CG2 3.14Å; A366-V370 PolarHBondContact O-N 3.44Å
367	A	46.9	Very low	47.8	Very low	60 Å²	60	94 Å²	94	50%	0.496	58%	0.575	S	S	.	*	H	α-helix	trans	-62.7	-40.1	176.9	0	0	0	0	0	112.5	P363 V364 V370 A371	P363-A367 VanDerWaalsContact O-CB 3.31Å; P363-A367 WeakPolarHBondContact O-CB 3.19Å; P363-A367 PolarHBondContact O-N 3.3Å; V364-A367 PolarHBondContact O-N 2.98Å; A367-V370 PolarHBondContact O-N 3.42Å; A367-A371 VanDerWaalsContact O-CB 3.3Å; A367-A371 WeakPolarHBondContact O-CB 3.47Å; A367-A371 PolarHBondContact O-N 3.44Å
368	A	52.7	Low	48.4	Very low	56 Å²	56	94.9 Å²	94.9	46%	0.463	57%	0.574	S	S	.	*	H	α-helix	trans	-65.6	-41.3	176.5	0	0	0	0	0	112.3	V364 A366 A371 A372	V364-A368 VanDerWaalsContact O-CB 3.3Å; V364-A368 WeakPolarHBondContact O-CB 3.15Å; V364-A368 PolarHBondContact O-N 3.37Å; A366-A368 PolarHBondContact O-N 2.99Å; A368-A371 PolarHBondContact O-N 3.47Å; A368-A372 WeakPolarHBondContact O-CB 3.48Å; A368-A372 PolarHBondContact O-N 3.36Å
369	A	52	Low	48.9	Very low	62 Å²	62	97.6 Å²	97.6	51%	0.512	58%	0.576	S	S	.	*	H	α-helix	trans	-64.2	-40	175.2	0	0	0	0	0	112.3	I365 A366 A373	I365-A369 WeakPolarHBondContact O-CB 3.49Å; I365-A369 PolarHBondContact O-N 3.34Å; A366-A369 PolarHBondContact O-N 2.94Å; A369-A373 WeakPolarHBondContact O-CB 3.39Å; A369-A373 PolarHBondContact O-N 3.05Å
370	V	59.7	Low	48.9	Very low	102 Å²	102	91.2 Å²	91.2	62%	0.618	57%	0.571	S	S	*	*	H	α-helix	trans	-68.5	-39.7	174.8	172.5	0	0	0	0	111.6	A366 A367 A373 A374	A366-V370 WeakPolarHBondContact O-CG2 3.14Å; A366-V370 PolarHBondContact O-N 3.44Å; A367-V370 PolarHBondContact O-N 3.42Å; V370-A373 PolarHBondContact O-N 3.31Å; V370-A374 WeakPolarHBondContact O-CB 3.37Å; V370-A374 PolarHBondContact O-N 2.95Å
371	A	58	Low	49.1	Very low	53 Å²	53	92.5 Å²	92.5	44%	0.438	58%	0.575	S	S	.	*	H	α-helix	trans	-65.4	-43.4	176.2	0	0	0	0	0	112.2	A367 A368 A374 T375	A367-A371 VanDerWaalsContact O-CB 3.3Å; A367-A371 WeakPolarHBondContact O-CB 3.47Å; A367-A371 PolarHBondContact O-N 3.44Å; A368-A371 PolarHBondContact O-N 3.47Å; A371-A374 PolarHBondContact O-N 3.36Å; A371-T375 PolarHBondContact O-N 3.45Å; A371-T375 PolarHBondContact O-OG1 2.98Å
372	A	57.9	Low	48.6	Very low	59 Å²	59	96.3 Å²	96.3	49%	0.488	60%	0.595	S	S	.	*	H	α-helix	trans	-65.3	-39	175.7	0	0	0	0	0	112.3	A368 A374 T375 A376	A368-A372 WeakPolarHBondContact O-CB 3.48Å; A368-A372 PolarHBondContact O-N 3.36Å; A372-A374 VanDerWaalsContact C-N 3.33Å; A372-T375 PolarHBondContact O-OG1 2.75Å; A372-A376 VanDerWaalsContact O-CB 3.3Å; A372-A376 WeakPolarHBondContact O-CB 3.24Å; A372-A376 PolarHBondContact O-N 3.48Å
373	A	55.1	Low	48.1	Very low	62 Å²	62	94.7 Å²	94.7	51%	0.512	60%	0.602	S	S	.	*	H	α-helix	trans	-64.1	-38.2	171.9	0	0	0	0	0	112	A369 V370 Y377	A369-A373 WeakPolarHBondContact O-CB 3.39Å; A369-A373 PolarHBondContact O-N 3.05Å; V370-A373 PolarHBondContact O-N 3.31Å; A373-Y377 WeakPolarHBondContact O-CB 3.34Å; A373-Y377 PolarHBondContact O-N 3.31Å; A373-Y377 VanDerWaalsContact O-N 3.12Å
374	A	52.5	Low	47.4	Very low	50 Å²	50	96 Å²	96	41%	0.413	61%	0.609	S	S	.	*	H	α-helix	trans	-70.2	-40.3	178.4	0	0	0	0	0	113.1	V370 A371 A372 Y377 L378	V370-A374 WeakPolarHBondContact O-CB 3.37Å; V370-A374 PolarHBondContact O-N 2.95Å; A371-A374 PolarHBondContact O-N 3.36Å; A372-A374 VanDerWaalsContact C-N 3.33Å; A374-Y377 PolarHBondContact O-N 2.93Å; A374-L378 WeakPolarHBondContact O-CD1 3.37Å; A374-L378 PolarHBondContact O-N 3.29Å
375	T	55.6	Low	46.6	Very low	89 Å²	89	97.4 Å²	97.4	55%	0.546	62%	0.618	S	S	.	*	H	α-helix	trans	-69.2	-39.6	175.8	51.9	0	0	0	0	111.9	A371 A372 Y377 L378 H379	A371-T375 PolarHBondContact O-N 3.45Å; A371-T375 PolarHBondContact O-OG1 2.98Å; A372-T375 PolarHBondContact O-OG1 2.75Å; T375-Y377 PolarHBondContact O-N 3.17Å; T375-L378 PolarHBondContact O-N 3.46Å; T375-L378 VanDerWaalsContact O-N 3.12Å; T375-H379 PolarHBondContact O-N 3.35Å
376	A	51.1	Low	45.9	Very low	78 Å²	78	97.4 Å²	97.4	65%	0.645	62%	0.623	S	S	*	*	H	α-helix	trans	-59.9	-32.4	172.3	0	0	0	0	0	112.7	A372	A372-A376 VanDerWaalsContact O-CB 3.3Å; A372-A376 WeakPolarHBondContact O-CB 3.24Å; A372-A376 PolarHBondContact O-N 3.48Å
377	Y	45.8	Very low	45.3	Very low	211 Å²	211	100.4 Å²	100.4	83%	0.827	64%	0.636	S	S	*	*	H	α-helix	trans	-81.9	-13.2	177	-139.5	-89.9	0	0	0	114.2	A373 A374 T375	A373-Y377 WeakPolarHBondContact O-CB 3.34Å; A373-Y377 PolarHBondContact O-N 3.31Å; A373-Y377 VanDerWaalsContact O-N 3.12Å; A374-Y377 PolarHBondContact O-N 2.93Å; T375-Y377 PolarHBondContact O-N 3.17Å
378	L	48.6	Very low	44.8	Very low	136 Å²	136	103.3 Å²	103.3	71%	0.712	65%	0.648	S	S	*	*	H	α-helix	trans	-99.6	-22.6	-179.8	-102.9	92.5	0	0	0	115	A374 T375 G380	A374-L378 WeakPolarHBondContact O-CD1 3.37Å; A374-L378 PolarHBondContact O-N 3.29Å; T375-L378 PolarHBondContact O-N 3.46Å; T375-L378 VanDerWaalsContact O-N 3.12Å; L378-G380 VanDerWaalsContact C-N 3.27Å; L378-G380 PolarHBondContact O-N 3.32Å
379	H	47	Very low	44	Very low	179 Å²	179	105.7 Å²	105.7	83%	0.829	66%	0.657	S	S	*	*	S	Bend	trans	-86.2	9.8	178.5	-92	-102.7	0	0	0	114.3	T375	T375-H379 PolarHBondContact O-N 3.35Å
380	G	36.2	Very low	43.3	Very low	65 Å²	65	109.3 Å²	109.3	67%	0.67	67%	0.667	S	S	*	*			trans	-93.8	13.4	-170.6	0	0	0	0	0	117.5	L378	L378-G380 VanDerWaalsContact C-N 3.27Å; L378-G380 PolarHBondContact O-N 3.32Å
381	T	37	Very low	42.2	Very low	122 Å²	122	109.5 Å²	109.5	75%	0.748	67%	0.669	S	S	*	*			trans	-136.8	103.4	-173.2	54	0	0	0	0	115.5
382	V	32	Very low	41.3	Very low	130 Å²	130	113 Å²	113	79%	0.788	68%	0.68	S	S	*	*			trans	27.3	109.6	139.9	-166.5	0	0	0	0	118.9
383	T	33	Very low	40.2	Very low	127 Å²	127	116 Å²	116	78%	0.779	69%	0.688	S	S	*	*				176.7	117.5	119.7	28.1	0	0	0	0	109.5
384	T	31.1	Very low	39.2	Very low	115 Å²	115	118 Å²	118	71%	0.706	69%	0.694	S	S	*	*				72.3	138.8	85.2	-14	0	0	0	0	117.7
385	T	32.1	Very low	38.3	Very low	119 Å²	119	121.5 Å²	121.5	73%	0.73	71%	0.71	S	S	*	*			trans	78.1	109.4	156.4	36.1	0	0	0	0	122.4
386	T	34	Very low	37.1	Very low	114 Å²	114	122.6 Å²	122.6	70%	0.699	72%	0.717	S	S	*	*				78.5	119.4	128.9	53.4	0	0	0	0	123.5
387	T	33.7	Very low	36.3	Very low	120 Å²	120	125.2 Å²	125.2	74%	0.736	72%	0.72	S	S	*	*			trans	63.5	138.4	135.4	59.9	0	0	0	0	119.3
388	T	35.3	Very low	35.4	Very low	121 Å²	121	123.8 Å²	123.8	74%	0.742	72%	0.719	S	S	*	*			cis	-168.1	174.7	-1.9	16	0	0	0	0	107.1
389	T	35.9	Very low	34.6	Very low	106 Å²	106	124.5 Å²	124.5	65%	0.65	72%	0.722	S	S	*	*			cis	-159.8	163.2	12	-6	0	0	0	0	109
390	N	38	Very low	33.7	Very low	138 Å²	138	120.1 Å²	120.1	74%	0.738	71%	0.711	S	S	*	*			trans	65.9	138.6	149.3	-64.4	-1	0	0	0	119.5
391	T	35.6	Very low	33.3	Very low	105 Å²	105	124.2 Å²	124.2	64%	0.644	72%	0.718	S	S	*	*			cis	-160.3	144.6	-4.4	11.4	0	0	0	0	110.4
392	N	39.8	Very low	33	Very low	128 Å²	128	123.5 Å²	123.5	68%	0.684	72%	0.718	S	S	*	*			trans	67.8	145.8	151.8	-62.4	37.5	0	0	0	118.5
393	D	34.3	Very low	32.8	Very low	120 Å²	120	127.5 Å²	127.5	64%	0.642	72%	0.72	S	S	*	*			cis	-166.1	155.4	-11.9	-93.3	-21.9	0	0	0	106.3
394	T	34.2	Very low	32.6	Very low	104 Å²	104	128.2 Å²	128.2	64%	0.638	72%	0.718	S	S	*	*			cis	-162.8	145	-3.7	12.9	0	0	0	0	109.3
395	T	33.5	Very low	32.7	Very low	124 Å²	124	127.7 Å²	127.7	76%	0.761	72%	0.716	S	S	*	*			trans	59.5	157.4	151	60	0	0	0	0	119.6
396	T	31.2	Very low	32.4	Very low	113 Å²	113	128 Å²	128	69%	0.693	72%	0.718	S	S	*	*			cis	-172.4	152.4	-21.9	32.4	0	0	0	0	104.7
397	N	33.5	Very low	32.2	Very low	133 Å²	133	127.8 Å²	127.8	71%	0.711	72%	0.717	S	S	*	*			cis	-145	154.7	2.4	-99.5	-14	0	0	0	107.1
398	F	28	Very low	32	Very low	181 Å²	181	128.9 Å²	128.9	79%	0.794	72%	0.718	S	S	*	*				69.1	123.6	60	-91	-55.3	0	0	0	116.8
399	I	30.4	Very low	31.8	Very low	151 Å²	151	132.2 Å²	132.2	77%	0.774	73%	0.725	S	S	*	*			trans	75.4	140.7	150.8	-62.1	168.2	0	0	0	117.4
400	S	28.1	Very low	31.3	Very low	86 Å²	86	137.3 Å²	137.3	60%	0.601	73%	0.734	S	S	*	*			cis	-172.3	147.9	-28.4	-89.5	0	0	0	0	110
401	N	27.7	Very low	30.9	Very low	151 Å²	151	138.7 Å²	138.7	81%	0.807	74%	0.74	S	S	*	*			trans	63.5	165.7	146.6	-70	-10.2	0	0	0	122.4
402	S	32	Very low	30.6	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	75%	0.747	S	S	*	*			trans	75	92	155	34.9	0	0	0	0	120.8
403	Y	26.9	Very low	30.4	Very low	214 Å²	214	139.7 Å²	139.7	84%	0.839	75%	0.753	S	S	*	*				74.3	128	112.8	-107.2	-126.5	0	0	0	122.2
404	I	30.4	Very low	30.2	Very low	142 Å²	142	138.9 Å²	138.9	73%	0.728	76%	0.756	S	S	*	*			trans	76.9	133.9	152.8	-71.3	175.8	0	0	0	117.7
405	P	31.3	Very low	30	Very low	104 Å²	104	141.7 Å²	141.7	68%	0.675	77%	0.768	S	S	*	*			trans	-102.5	167.1	-174.2	40.7	-36.4	0	0	0	113.5
406	T	27.7	Very low	29.9	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	77%	0.77	S	S	*	*				-172.2	152	119.4	27.1	0	0	0	0	113.4
407	T	29.2	Very low	29.8	Very low	111 Å²	111	141 Å²	141	68%	0.681	77%	0.773	S	S	*	*			trans	53.8	116	150.8	52.4	0	0	0	0	121.6
408	N	29.5	Very low	29.6	Very low	142 Å²	142	140.8 Å²	140.8	76%	0.759	77%	0.771	S	S	*	*				40.8	122.7	123.8	-49.6	-8.6	0	0	0	119.4
409	Q	30.9	Very low	29.6	Very low	191 Å²	191	138.5 Å²	138.5	89%	0.893	77%	0.767	S	S	*	*				-164.6	167.6	93.3	-102.4	174.8	13.7	0	0	113.4
410	Y	25.2	Very low	29.6	Very low	213 Å²	213	139.3 Å²	139.3	84%	0.835	77%	0.767	S	S	*	*			trans	-69.4	155.8	-177.2	-59.9	-107	0	0	0	112.8
411	I	29.6	Very low	29.6	Very low	168 Å²	168	142.5 Å²	142.5	86%	0.862	78%	0.777	S	S	*	*				-171.8	158.6	109	-94	157.2	0	0	0	110.7
412	T	29.6	Very low	29.9	Very low	129 Å²	129	138.9 Å²	138.9	79%	0.791	76%	0.762	S	S	*	*			trans	-99.3	168.5	-162.7	31.3	0	0	0	0	114.9
413	P	34.6	Very low	29.7	Very low	125 Å²	125	142 Å²	142	81%	0.812	77%	0.765	S	S	*	*			trans	-103.5	-176.4	-161	41.6	-38	0	0	0	114.9
414	S	30.7	Very low	29.7	Very low	102 Å²	102	137.3 Å²	137.3	71%	0.713	76%	0.758	S	S	*	*			trans	-143.1	122.2	168.1	56.6	0	0	0	0	115.9
415	N	30.8	Very low	29.5	Very low	163 Å²	163	141.2 Å²	141.2	87%	0.872	77%	0.765	S	S	*	*			trans	62.5	107.9	135.3	-55.9	-11.4	0	0	0	123.4
416	G	30.8	Very low	29.2	Very low	78 Å²	78	146.1 Å²	146.1	80%	0.804	77%	0.772	S	S	*	*			trans	90.3	157.4	130.8	0	0	0	0	0	118.8
417	N	29.3	Very low	29.3	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	78%	0.775	S	S	*	*			cis	-161.8	161.8	-14.7	-154.2	3.6	0	0	0	111.2
418	I	28.3	Very low	29.2	Very low	128 Å²	128	149.7 Å²	149.7	66%	0.656	77%	0.772	S	S	*	*			trans	70.7	118.9	153.3	-76	162.2	0	0	0	120.4
419	N	29.5	Very low	29	Very low	134 Å²	134	151.4 Å²	151.4	72%	0.717	77%	0.769	S	S	*	*			trans	84.9	120.5	145.6	-68.4	0.1	0	0	0	125.6
420	H	28.8	Very low	28.8	Very low	168 Å²	168	148.4 Å²	148.4	78%	0.778	76%	0.755	S	S	*	*			trans	65.7	72.7	135.1	-76.7	-82.5	0	0	0	123.1
421	L	28.7	Very low	28.9	Very low	152 Å²	152	146.5 Å²	146.5	80%	0.796	75%	0.753	S	S	*	*				21.7	149.1	100.5	-130.4	79.7	0	0	0	119.2
422	P	33.8	Very low	28.8	Very low	76 Å²	76	144.5 Å²	144.5	49%	0.494	75%	0.749	S	S	.	*				-142.3	176.7	-54.7	42.8	-29.3	0	0	0	114.4
423	Q	27.4	Very low	28.6	Very low	173 Å²	173	145.5 Å²	145.5	81%	0.808	75%	0.749	S	S	*	*			trans	-154.7	146.4	131.4	-118.4	166.8	-4	0	0	115.3
424	T	27	Very low	28.2	Very low	115 Å²	115	147.2 Å²	147.2	71%	0.706	75%	0.751	S	S	*	*			trans	-15.3	155.1	159.2	52.7	0	0	0	0	119.2
425	Y	26.8	Very low	27.9	Very low	224 Å²	224	147.8 Å²	147.8	88%	0.878	75%	0.751	S	S	*	*				-152	-164.6	50.4	-151.2	-102	0	0	0	114.2
426	Y	25.4	Very low	27.7	Very low	207 Å²	207	144.7 Å²	144.7	81%	0.812	74%	0.742	S	S	*	*			trans	-122	147.2	-164.4	-126.7	-81.3	0	0	0	113.8
427	E	28.9	Very low	27.7	Very low	177 Å²	177	147.6 Å²	147.6	83%	0.827	74%	0.739	S	S	*	*			trans	-166.2	175.4	162.7	-114.6	169.2	-156.9	0	0	109.2
428	Q	27.5	Very low	27.7	Very low	134 Å²	134	148.2 Å²	148.2	63%	0.626	74%	0.74	S	S	*	*				-146.4	170.3	-81	-169.4	173.4	-30.9	0	0	109.4
429	Y	25.2	Very low	27.7	Very low	177 Å²	177	147.5 Å²	147.5	69%	0.694	74%	0.744	S	S	*	*			trans	69.4	158.5	166.4	-70	-66.1	0	0	0	117.3
430	E	26	Very low	27.5	Very low	129 Å²	129	151.5 Å²	151.5	60%	0.603	75%	0.751	S	S	*	*			cis	-163.3	168.5	-26.8	-156	163.6	-157.4	0	0	110.2
431	H	29.1	Very low	27.4	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.796	75%	0.749	S	S	*	*			trans	63	163.7	165.7	-57.2	-49.6	0	0	0	117.8
432	T	27.6	Very low	27.5	Very low	126 Å²	126	152.7 Å²	152.7	77%	0.773	75%	0.754	S	S	*	*			cis	-144.4	172.7	-4.5	-12.5	0	0	0	0	110.5
433	L	24.2	Very low	27.2	Very low	150 Å²	150	156.1 Å²	156.1	79%	0.785	77%	0.768	S	S	*	*			trans	-78.8	152.2	177.6	-50.6	92.1	0	0	0	113.4
434	N	26.2	Very low	27.1	Very low	161 Å²	161	157.2 Å²	157.2	86%	0.861	77%	0.766	S	S	*	*				-157.3	173.2	117.9	-128.5	-31.5	0	0	0	114
435	T	25.2	Very low	27.1	Very low	115 Å²	115	159 Å²	159	71%	0.706	77%	0.771	S	S	*	*			trans	-124.2	159.2	-162.5	63.6	0	0	0	0	114.9
436	S	26.9	Very low	27.2	Very low	98 Å²	98	156.8 Å²	156.8	69%	0.685	77%	0.769	S	S	*	*			trans	163	163.1	136.7	49.1	0	0	0	0	113.8
437	N	29.9	Very low	27.3	Very low	138 Å²	138	151.8 Å²	151.8	74%	0.738	76%	0.762	S	S	*	*			trans	71.5	90.4	167.1	-51.8	-28.1	0	0	0	117.7
438	I	28.6	Very low	27.2	Very low	158 Å²	158	151.5 Å²	151.5	81%	0.81	76%	0.764	S	S	*	*				61.7	134.8	75.5	-58.6	174.2	0	0	0	112.9
439	P	29.7	Very low	27.3	Very low	113 Å²	113	153.5 Å²	153.5	73%	0.734	77%	0.767	S	S	*	*			cis	-125.4	172.4	10	27.9	-6.3	0	0	0	116.7
440	Y	23.9	Very low	27.4	Very low	219 Å²	219	150.9 Å²	150.9	86%	0.859	77%	0.77	S	S	*	*			trans	-90.5	139.7	164.8	-93.8	-110	0	0	0	111.5
441	S	27.8	Very low	27.4	Very low	107 Å²	107	149.2 Å²	149.2	75%	0.748	76%	0.758	S	S	*	*			trans	-158.5	161.4	158.6	58	0	0	0	0	110.4
442	R	30.6	Very low	27.4	Very low	238 Å²	238	150.9 Å²	150.9	90%	0.898	76%	0.757	S	S	*	*			trans	68.1	61	-174.9	-55.5	-176.6	175.6	-174.8	-2.3	116.4
443	L	27.3	Very low	27.4	Very low	147 Å²	147	150.7 Å²	150.7	77%	0.77	74%	0.743	S	S	*	*			trans	-131.9	52.6	157.5	-81.7	-179.7	0	0	0	112.3
444	Y	24.7	Very low	27.7	Very low	197 Å²	197	150.9 Å²	150.9	77%	0.773	74%	0.743	S	S	*	*			trans	-128.4	161.5	156.8	-97.5	-94.3	0	0	0	108.7
445	N	28.8	Very low	27.9	Very low	152 Å²	152	147.8 Å²	147.8	81%	0.813	73%	0.734	S	S	*	*			trans	68.8	97.8	-170.5	-58.1	-19.2	0	0	0	115.7
446	Q	28.3	Very low	28	Very low	178 Å²	178	144.9 Å²	144.9	83%	0.832	73%	0.727	S	S	*	*				-179.9	133.6	119.6	-88.3	-81.1	-46.7	0	0	108.8
447	P	26.2	Very low	28.1	Very low	102 Å²	102	148.4 Å²	148.4	66%	0.662	74%	0.738	S	S	*	*			trans	-84.1	144	-166.2	32.2	-35.8	0	0	0	114.5
448	I	28.3	Very low	28.1	Very low	170 Å²	170	147.7 Å²	147.7	87%	0.872	74%	0.744	S	S	*	*			trans	-102.6	100.5	175.7	-58.4	178.3	0	0	0	109.7
449	Y	28.4	Very low	28	Very low	177 Å²	177	147.4 Å²	147.4	69%	0.694	74%	0.741	S	S	*	*			trans	-73.8	140.9	177.4	-104.4	-86.7	0	0	0	113.7
450	T	27.6	Very low	28	Very low	122 Å²	122	148.6 Å²	148.6	75%	0.748	74%	0.741	S	S	*	*			trans	-40.9	151.8	-178.9	53.9	0	0	0	0	117.4
451	R	26.6	Very low	28.3	Very low	93 Å²	93	147.8 Å²	147.8	35%	0.351	74%	0.742	S	S	.	*			trans	-129.5	91.9	167.5	177.6	-175	177.7	-48	15.6	108.8	R346	R346-R451 VanDerWaalsContact NH1-NH1 3.15Å; R346-R451 PolarHBondContact NH1-O 3.03Å
452	R	29.3	Very low	28.5	Very low	208 Å²	208	147.4 Å²	147.4	79%	0.785	74%	0.737	S	S	*	*			trans	-50.3	142.4	169.2	-69.4	-171.5	-175.2	175.8	2.7	109.6
453	Y	27.4	Very low	28.2	Very low	121 Å²	121	143.1 Å²	143.1	48%	0.475	73%	0.73	S	S	.	*			trans	-104.5	154.7	150.2	-108.8	-65.1	0	0	0	106.4	R346 N348	R346-Y453 HydrophobicContact CB-CE2 4.33Å; R346-Y453 WeakPolarHBondContact CB-OH 3.47Å; R346-Y453 VanDerWaalsContact CD-CE2 3.43Å; N348-Y453 PolarHBondContact OD1-OH 2.89Å
454	I	30.3	Very low	28.2	Very low	154 Å²	154	144.5 Å²	144.5	79%	0.79	73%	0.733	S	S	*	*			trans	-116.7	127	153.6	-68.1	174.3	0	0	0	104.7
455	S	29.8	Very low	28.2	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	73%	0.728	S	S	*	*			trans	-104.3	143.5	152	-166.2	0	0	0	0	105.9
456	G	27.4	Very low	28	Very low	54 Å²	54	140.4 Å²	140.4	56%	0.557	73%	0.729	S	S	*	*			cis	132.3	113.9	-1	0	0	0	0	0	110.4
457	N	29.5	Very low	27.8	Very low	172 Å²	172	137.9 Å²	137.9	92%	0.92	73%	0.725	S	S	*	*			trans	-167.9	114.1	163.6	-104.9	-13.7	0	0	0	110.8
458	S	29.6	Very low	27.7	Very low	123 Å²	123	139.2 Å²	139.2	86%	0.86	73%	0.731	S	S	*	*				-175.2	149.6	129.4	-169	0	0	0	0	108.8
459	M	27.1	Very low	27.5	Very low	152 Å²	152	135 Å²	135	75%	0.749	72%	0.717	S	S	*	*			trans	-136.8	127.4	-171	-95.8	-81.7	-169.9	0	0	110.4
460	N	29.2	Very low	27.3	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	72%	0.724	S	S	*	*			trans	69.6	147.4	171.6	-49.9	-56.6	0	0	0	114.5
461	K	30.7	Very low	27.2	Very low	202 Å²	202	138.4 Å²	138.4	88%	0.878	73%	0.728	S	S	*	*			cis	-140.4	-179.2	13.9	-121.7	152.7	-179.2	-175	0	110.3
462	P	30.9	Very low	27.2	Very low	98 Å²	98	138.6 Å²	138.6	64%	0.636	74%	0.741	S	S	*	*			trans	-115.8	170.1	-155.8	43.7	-38.2	0	0	0	117.1
463	I	25.7	Very low	27.1	Very low	148 Å²	148	137.6 Å²	137.6	76%	0.759	74%	0.742	S	S	*	*			trans	67.7	129.6	154.8	-68.3	154.3	0	0	0	114.2
464	E	25.8	Very low	26.9	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	76%	0.755	S	S	*	*			cis	-159.1	170.1	31.1	-152.6	156.3	-120.9	0	0	113.7
465	S	24.5	Very low	26.6	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	76%	0.755	S	S	*	*			trans	70.5	161.4	152.5	-148.7	0	0	0	0	120.9
466	M	26.1	Very low	26.4	Very low	167 Å²	167	138.3 Å²	138.3	82%	0.823	76%	0.756	S	S	*	*			trans	49.7	111.6	171.8	-60.4	175.3	-173.9	0	0	116.6
467	V	23.9	Very low	26.3	Very low	125 Å²	125	142.6 Å²	142.6	76%	0.758	77%	0.767	S	S	*	*			cis	63.1	107.9	24	-167.8	0	0	0	0	114
468	T	24	Very low	26.1	Very low	129 Å²	129	140.4 Å²	140.4	79%	0.791	76%	0.76	S	S	*	*			trans	64.5	144.6	169.7	41.1	0	0	0	0	116.4
469	S	24	Very low	26	Very low	82 Å²	82	139.8 Å²	139.8	57%	0.573	76%	0.755	S	S	*	*			cis	-172	176	2.7	34.3	0	0	0	0	112.3
470	Y	24.5	Very low	26	Very low	212 Å²	212	137.5 Å²	137.5	83%	0.831	75%	0.754	S	S	*	*			trans	82.5	105.8	155.5	-65.5	-59.9	0	0	0	120.9
471	L	25.6	Very low	25.9	Very low	159 Å²	159	138.9 Å²	138.9	83%	0.832	76%	0.758	S	S	*	*				-44.9	145.1	129.4	-70.8	159.4	0	0	0	110.1
472	P	26.7	Very low	25.9	Very low	96 Å²	96	136.2 Å²	136.2	62%	0.623	75%	0.753	S	S	*	*				-127.3	-172.5	64.4	10	16.6	0	0	0	112.2
473	F	25.7	Very low	25.9	Very low	187 Å²	187	136.4 Å²	136.4	82%	0.82	75%	0.754	S	S	*	*			cis	-148.7	159.1	34.9	-92.1	-89.2	0	0	0	114.3
474	N	24.5	Very low	26.1	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	76%	0.76	S	S	*	*			trans	-108.7	146.2	154.9	-135.4	3.5	0	0	0	107
475	N	24	Very low	26.3	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	75%	0.752	S	S	*	*			trans	23	119.2	169.6	-63.9	-13.3	0	0	0	117.8
476	S	25.2	Very low	26.5	Very low	99 Å²	99	142.1 Å²	142.1	69%	0.692	76%	0.756	S	S	*	*				177.1	155	64.5	55.2	0	0	0	0	113.8
477	N	24.8	Very low	26.6	Very low	145 Å²	145	142 Å²	142	78%	0.775	75%	0.753	S	S	*	*			trans	68.5	135.2	149.3	-62.8	-9.5	0	0	0	122.4
478	T	26.3	Very low	27.3	Very low	126 Å²	126	141.5 Å²	141.5	77%	0.773	75%	0.753	S	S	*	*			trans	68	99.1	147.9	49.4	0	0	0	0	122.1
479	S	25.9	Very low	27.7	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	75%	0.751	S	S	*	*				87.5	124.7	116.7	-55.1	0	0	0	0	123.2
480	S	27.7	Very low	28.1	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	76%	0.758	S	S	*	*			trans	71.6	115.8	136.7	58.5	0	0	0	0	123.4
481	M	27.9	Very low	28.2	Very low	168 Å²	168	139.3 Å²	139.3	83%	0.828	75%	0.754	S	S	*	*			trans	67.9	146.1	135.7	-65.2	-165.5	145.8	0	0	119.8
482	L	29.2	Very low	28.6	Very low	145 Å²	145	138.7 Å²	138.7	76%	0.759	75%	0.746	S	S	*	*			cis	-157.2	161.3	-8.6	-104.9	166.5	0	0	0	108.1
483	P	31.7	Very low	28.8	Very low	102 Å²	102	141.2 Å²	141.2	66%	0.662	75%	0.75	S	S	*	*			trans	-105.1	158	-177.2	39.3	-32.7	0	0	0	115.3
484	Y	30.1	Very low	29.1	Very low	227 Å²	227	139.3 Å²	139.3	89%	0.89	74%	0.743	S	S	*	*			trans	174.7	154.8	163.3	-86.5	-54.3	0	0	0	108.8
485	D	29.9	Very low	29.3	Very low	123 Å²	123	138.6 Å²	138.6	66%	0.658	74%	0.739	S	S	*	*			cis	-162	160.7	-27.9	-147.4	-5.8	0	0	0	113.8
486	Y	28.5	Very low	29.7	Very low	192 Å²	192	138.9 Å²	138.9	75%	0.753	74%	0.735	S	S	*	*			trans	42.4	140.5	150.6	-100.3	-139.3	0	0	0	128.6
487	Q	27.7	Very low	29.7	Very low	164 Å²	164	144.3 Å²	144.3	77%	0.766	74%	0.742	S	S	*	*			trans	80	123.7	139.7	-87.2	178.3	7.3	0	0	126.6
488	P	39.1	Very low	29.9	Very low	115 Å²	115	141.1 Å²	141.1	75%	0.747	74%	0.736	S	S	*	*			trans	-117.1	167.4	149	40	-30.5	0	0	0	113
489	P	33.2	Very low	30.1	Very low	115 Å²	115	141.8 Å²	141.8	75%	0.747	74%	0.74	S	S	*	*				-160.4	164.9	120.1	38.4	-18	0	0	0	120.6
490	T	31.5	Very low	30.6	Very low	119 Å²	119	142 Å²	142	73%	0.73	74%	0.739	S	S	*	*			trans	76.5	123.1	140.5	45.4	0	0	0	0	127.4
491	L	27.8	Very low	30.6	Very low	142 Å²	142	146.1 Å²	146.1	74%	0.743	74%	0.744	S	S	*	*				99.9	139.8	122.8	-80.1	168.5	0	0	0	126.7
492	H	32.7	Very low	30.7	Very low	146 Å²	146	144 Å²	144	68%	0.676	74%	0.736	S	S	*	*			trans	78.5	95.6	152.2	-77.6	-53.7	0	0	0	126.3
493	H	30.3	Very low	30.7	Very low	150 Å²	150	143 Å²	143	69%	0.694	73%	0.73	S	S	*	*				80.1	139.2	111.8	-97.5	42.4	0	0	0	126.1
494	H	32.1	Very low	30.5	Very low	147 Å²	147	145.6 Å²	145.6	68%	0.681	73%	0.734	S	S	*	*			trans	77.7	112.4	154.4	-75.3	-42.6	0	0	0	125.1
495	N	30.5	Very low	30.4	Very low	123 Å²	123	143.5 Å²	143.5	66%	0.658	73%	0.732	S	S	*	*				21.5	136.4	129.7	-45.7	-12.2	0	0	0	119.6
496	H	30.9	Very low	30.4	Very low	154 Å²	154	148 Å²	148	71%	0.713	75%	0.746	S	S	*	*				-165.9	138.3	61.8	-102.8	-95.7	0	0	0	114.6
497	Y	26.4	Very low	30.3	Very low	214 Å²	214	144 Å²	144	84%	0.839	75%	0.746	S	S	*	*			trans	51	149.2	136.2	-81.1	-106.2	0	0	0	125.6
498	A	28.4	Very low	30.7	Very low	78 Å²	78	141.8 Å²	141.8	65%	0.645	75%	0.746	S	S	*	*			trans	94.6	74.3	142.4	0	0	0	0	0	123.2
499	T	31.5	Very low	30.1	Very low	140 Å²	140	146.8 Å²	146.8	86%	0.859	75%	0.752	S	S	*	*				66.7	156.8	123.9	46.3	0	0	0	0	123.1
500	P	35.9	Very low	29.8	Very low	112 Å²	112	147.5 Å²	147.5	73%	0.727	75%	0.749	S	S	*	*			trans	-123.2	177.8	-156.2	44	-31.6	0	0	0	116.2
501	F	28.1	Very low	29.6	Very low	192 Å²	192	147.5 Å²	147.5	84%	0.842	75%	0.745	S	S	*	*			trans	-157	136.8	157.5	-113.4	-61.8	0	0	0	116.4
502	N	28.9	Very low	29.6	Very low	124 Å²	124	145.5 Å²	145.5	66%	0.663	74%	0.738	S	S	*	*			trans	81.8	132.9	138.7	-96.9	-14.3	0	0	0	126.7
503	L	28.6	Very low	29.4	Very low	123 Å²	123	147.2 Å²	147.2	64%	0.644	74%	0.74	S	S	*	*			trans	88.2	117.5	134.6	-71.1	164.2	0	0	0	124.4
504	Q	29.2	Very low	29.4	Very low	158 Å²	158	149.4 Å²	149.4	74%	0.738	74%	0.743	S	S	*	*			trans	48.6	117.9	137.3	-69.5	171.6	-2.3	0	0	120.4
505	Q	26.4	Very low	29.2	Very low	182 Å²	182	149.2 Å²	149.2	85%	0.85	74%	0.743	S	S	*	*				62.4	106	70.3	-70.1	-168	-0.5	0	0	116.6
506	K	30	Very low	29.3	Very low	217 Å²	217	150.7 Å²	150.7	94%	0.943	75%	0.745	S	S	*	*			trans	-160.7	174.8	133.3	-114.9	167.1	-175.1	174.6	0	112.6
507	S	26.8	Very low	29.2	Very low	109 Å²	109	151.5 Å²	151.5	76%	0.762	74%	0.743	S	S	*	*			trans	-112.4	164.2	-158	51.9	0	0	0	0	114.7
508	P	35.6	Very low	29.3	Very low	117 Å²	117	146.8 Å²	146.8	76%	0.76	73%	0.729	S	S	*	*			trans	-97.5	167	-170.6	39.1	-37.1	0	0	0	114.9
509	Y	27.6	Very low	29.5	Very low	221 Å²	221	150.3 Å²	150.3	87%	0.867	73%	0.732	S	S	*	*			trans	-167.6	146.2	150.4	-108	-70.9	0	0	0	111.4
510	N	27.1	Very low	29.4	Very low	130 Å²	130	150.6 Å²	150.6	70%	0.695	72%	0.723	S	S	*	*			trans	24.4	158.4	144.8	-71.8	34.2	0	0	0	122.4
511	N	27.5	Very low	28.9	Very low	119 Å²	119	149.4 Å²	149.4	64%	0.636	72%	0.717	S	S	*	*			cis	-167.9	145.8	29	-142.6	28.5	0	0	0	115.1
512	T	28	Very low	28.8	Very low	99 Å²	99	146.9 Å²	146.9	61%	0.607	72%	0.718	S	S	*	*			trans	58.1	161.1	139.4	51.6	0	0	0	0	125.3
513	Y	27.8	Very low	28.8	Very low	183 Å²	183	146.4 Å²	146.4	72%	0.718	72%	0.724	S	S	*	*			trans	78.8	144.6	166.9	-73.7	-78.1	0	0	0	117.5
514	Y	30.4	Very low	28.8	Very low	195 Å²	195	146 Å²	146	77%	0.765	73%	0.731	S	S	*	*			cis	-131.1	169.1	6.3	-116.4	-77	0	0	0	113.5
515	H	28.7	Very low	28.6	Very low	143 Å²	143	146.2 Å²	146.2	66%	0.662	74%	0.736	S	S	*	*			trans	-42.3	167.6	166.5	-82.5	-78.3	0	0	0	117.2
516	H	32.1	Very low	28.7	Very low	155 Å²	155	142.6 Å²	142.6	72%	0.718	73%	0.728	S	S	*	*				-157.9	177.7	50	-121.6	-8	0	0	0	116.4
517	Y	28	Very low	28.6	Very low	170 Å²	170	136.8 Å²	136.8	67%	0.667	72%	0.715	S	S	*	*			trans	-34.2	161.8	170.6	-61	-68.5	0	0	0	117.6
518	H	29.7	Very low	28.5	Very low	115 Å²	115	137.4 Å²	137.4	53%	0.532	71%	0.714	S	S	.	*			cis	-159	-176.7	3.3	-123.7	-21.4	0	0	0	108	H520	H518-H520 AromaticContact CE1-CD2 3.43Å; H518-H520 PolarHBondContact CE1-CD2 3.21Å; H518-H520 VanDerWaalsContact CE1-CD2 3.43Å; H518-H520 AromaticContact CE1-NE2 3.78Å; H518-H520 AromaticContact ND1-CD2 3.8Å
519	H	32.2	Very low	28.1	Very low	153 Å²	153	137.4 Å²	137.4	71%	0.708	72%	0.717	S	S	*	*			cis	-115.7	-165.4	0.6	-93.1	-70.3	0	0	0	108.8
520	H	28.8	Very low	28.1	Very low	145 Å²	145	131.6 Å²	131.6	67%	0.671	71%	0.709	S	S	*	*			cis	69.6	133.8	26.2	-63.4	-64.5	0	0	0	117.1	H518	H518-H520 AromaticContact CE1-CD2 3.43Å; H518-H520 PolarHBondContact CE1-CD2 3.21Å; H518-H520 VanDerWaalsContact CE1-CD2 3.43Å; H518-H520 AromaticContact CE1-NE2 3.78Å; H518-H520 AromaticContact ND1-CD2 3.8Å
521	S	24.6	Very low	28	Very low	87 Å²	87	133 Å²	133	61%	0.608	71%	0.714	S	S	*	*			cis	-169.5	167.3	-18.9	-114.2	0	0	0	0	110.8
522	T	26.6	Very low	28.1	Very low	139 Å²	139	132.7 Å²	132.7	85%	0.853	72%	0.719	S	S	*	*			trans	56.2	103.7	151.9	50	0	0	0	0	120.9
523	S	28.3	Very low	27.9	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	73%	0.728	S	S	*	*			trans	-138.5	157.6	142.6	47.5	0	0	0	0	106.6
524	S	29.9	Very low	27.7	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	73%	0.725	S	S	*	*			cis	160.3	119.4	-29.1	52	0	0	0	0	105
525	I	23.9	Very low	27.6	Very low	164 Å²	164	131.5 Å²	131.5	84%	0.841	74%	0.735	S	S	*	*			trans	-72.5	163.3	170.9	-71.1	157.6	0	0	0	108.3
526	P	30.1	Very low	27.6	Very low	106 Å²	106	130.5 Å²	130.5	69%	0.688	74%	0.739	S	S	*	*			cis	-132.2	-160.3	15	24.1	3.6	0	0	0	115.5
527	S	27.4	Very low	27.3	Very low	95 Å²	95	127.7 Å²	127.7	66%	0.664	73%	0.733	S	S	*	*			trans	58.6	150.1	136.1	56.5	0	0	0	0	121.7
528	T	25.4	Very low	27.2	Very low	121 Å²	121	125.6 Å²	125.6	74%	0.742	74%	0.74	S	S	*	*			cis	-165.6	152.5	-16.1	20.2	0	0	0	0	107.2
529	S	25.8	Very low	27	Very low	117 Å²	117	127.4 Å²	127.4	82%	0.818	75%	0.752	S	S	*	*			trans	55.4	156.2	165	38.3	0	0	0	0	118.5
530	S	27.8	Very low	26.7	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	75%	0.753	S	S	*	*			cis	-151.9	129.5	-17.8	23.2	0	0	0	0	105.7
531	I	25.2	Very low	26.6	Very low	159 Å²	159	124.8 Å²	124.8	82%	0.815	75%	0.749	S	S	*	*				55.6	125.6	91.9	-60.4	175.2	0	0	0	113.3
532	P	29.1	Very low	26.6	Very low	113 Å²	113	125.6 Å²	125.6	73%	0.734	75%	0.746	S	S	*	*			cis	-136	-136.9	-16.3	41.1	-20.4	0	0	0	113
533	I	25.1	Very low	26.6	Very low	154 Å²	154	124.9 Å²	124.9	79%	0.79	73%	0.731	S	S	*	*			trans	100.6	128.4	170.8	-57.9	173.8	0	0	0	115.4
534	P	23.5	Very low	26.5	Very low	101 Å²	101	126.2 Å²	126.2	66%	0.656	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-97	135.2	-167	36.4	-33.8	0	0	0	114.8
535	M	28.2	Very low	26.4	Very low	197 Å²	197	128 Å²	128	97%	0.97	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-84.4	125.1	166.6	-79.6	-70.3	165.1	0	0	111.1
536	T	27.7	Very low	26.5	Very low	123 Å²	123	125.7 Å²	125.7	76%	0.755	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-98.2	170	-159.5	45.6	0	0	0	0	115.2
537	T	26.1	Very low	26.4	Very low	95 Å²	95	126.7 Å²	126.7	58%	0.583	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-55.5	151.7	179.5	50.4	0	0	0	0	114.8	I539	T537-I539 VanDerWaalsContact C-N 3.31Å; T537-I539 PolarHBondContact O-N 3.19Å
538	P	25.7	Very low	26.4	Very low	126 Å²	126	129.6 Å²	129.6	82%	0.818	72%	0.718	S	S	*	*	S	Bend	trans	-64.7	98.4	143.1	30.7	-30.7	0	0	0	108.8
539	I	26.4	Very low	26.5	Very low	154 Å²	154	130.1 Å²	130.1	79%	0.79	72%	0.716	S	S	*	*			trans	37.9	92.3	135.1	-60.9	172.1	0	0	0	113.3	T537	T537-I539 VanDerWaalsContact C-N 3.31Å; T537-I539 PolarHBondContact O-N 3.19Å
540	M	24.2	Very low	26.4	Very low	146 Å²	146	130.4 Å²	130.4	72%	0.719	72%	0.717	S	S	*	*				49.4	133.5	69.3	-67.8	-143.7	136.9	0	0	113.5
541	T	26.7	Very low	26.5	Very low	97 Å²	97	135.1 Å²	135.1	60%	0.595	73%	0.73	S	S	*	*			cis	-159.1	163.1	8.1	-0.8	0	0	0	0	112.7
542	N	26	Very low	26.6	Very low	103 Å²	103	134.5 Å²	134.5	55%	0.551	73%	0.729	S	S	*	*			trans	35.8	109.8	142.6	-58.6	-16.7	0	0	0	120.7
543	F	25.1	Very low	26.6	Very low	124 Å²	124	132 Å²	132	54%	0.544	71%	0.713	S	S	.	*	S	Bend	trans	-144.1	58.4	132.5	-98.6	-68.2	0	0	0	110.7
544	H	27.1	Very low	26.8	Very low	143 Å²	143	134.9 Å²	134.9	66%	0.662	72%	0.715	S	S	*	*	S	Bend	trans	-171.5	65.6	161.3	-105.6	42.8	0	0	0	110.2
545	N	27.4	Very low	26.9	Very low	151 Å²	151	136.4 Å²	136.4	81%	0.807	72%	0.718	S	S	*	*			trans	168.2	71.6	155.7	-90.6	-3.6	0	0	0	109.1
546	I	27.3	Very low	26.9	Very low	115 Å²	115	134.1 Å²	134.1	59%	0.59	72%	0.715	S	S	*	*			trans	-102.9	125.8	157.2	-68	178.4	0	0	0	106.1	M548	I546-M548 HydrophobicContact CG2-CE 4.38Å; I546-M548 PolarHBondContact O-N 3.32Å
547	N	26.9	Very low	26.8	Very low	127 Å²	127	133.6 Å²	133.6	68%	0.679	71%	0.712	S	S	*	*			trans	-73.9	108.7	176.9	178.1	19.9	0	0	0	109.1	N549	N547-N549 VanDerWaalsContact C-N 3.26Å; N547-N549 PolarHBondContact O-N 3.15Å; N547-N549 WeakPolarHBondContact OD1-CB 3.25Å; N547-N549 PolarHBondContact OD1-N 3.3Å
548	M	28.4	Very low	26.9	Very low	156 Å²	156	135.5 Å²	135.5	77%	0.768	72%	0.718	S	S	*	*			trans	-85	7.8	179.7	-74.7	-65.6	-171.5	0	0	113.9	I546 C550	I546-M548 HydrophobicContact CG2-CE 4.38Å; I546-M548 PolarHBondContact O-N 3.32Å; M548-C550 VanDerWaalsContact C-N 3.32Å; M548-C550 PolarHBondContact O-N 3.48Å; M548-C550 VanDerWaalsContact O-N 3.09Å
549	N	26.8	Very low	27.1	Very low	132 Å²	132	135.8 Å²	135.8	71%	0.706	71%	0.713	S	S	*	*			trans	-82.4	71.6	170.8	-67.5	-6.6	0	0	0	111.2	N547	N547-N549 VanDerWaalsContact C-N 3.26Å; N547-N549 PolarHBondContact O-N 3.15Å; N547-N549 WeakPolarHBondContact OD1-CB 3.25Å; N547-N549 PolarHBondContact OD1-N 3.3Å
550	C	24.4	Very low	27	Very low	123 Å²	123	134.2 Å²	134.2	83%	0.831	71%	0.711	S	S	*	*			trans	178.1	90.9	152.1	-97.4	0	0	0	0	112.4	M548	M548-C550 VanDerWaalsContact C-N 3.32Å; M548-C550 PolarHBondContact O-N 3.48Å; M548-C550 VanDerWaalsContact O-N 3.09Å
551	M	28.2	Very low	27.3	Very low	198 Å²	198	132.9 Å²	132.9	98%	0.975	71%	0.711	S	S	*	*			trans	-166.1	117.1	148.6	-96.9	-105.9	160.8	0	0	108.3
552	N	28.3	Very low	27.4	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	71%	0.714	S	S	*	*			trans	-114.9	146.1	-176.6	-149.8	22.7	0	0	0	109
553	P	28.7	Very low	27.4	Very low	61 Å²	61	135.3 Å²	135.3	40%	0.396	72%	0.724	S	S	.	*			trans	-95.5	132.2	-160.2	34.6	-33.1	0	0	0	114.9
554	Y	29.9	Very low	27.6	Very low	214 Å²	214	134.3 Å²	134.3	84%	0.839	73%	0.733	S	S	*	*			trans	-129	119.8	155.8	-72.3	-88	0	0	0	106.9
555	N	25.9	Very low	27.7	Very low	132 Å²	132	133.4 Å²	133.4	71%	0.706	74%	0.738	S	S	*	*				51.9	91.6	60.1	-90.7	19.2	0	0	0	114.2
556	T	28.6	Very low	27.7	Very low	150 Å²	150	131.3 Å²	131.3	92%	0.92	74%	0.735	S	S	*	*				-153.4	144.9	120.8	12.7	0	0	0	0	111
557	T	25.3	Very low	27.8	Very low	111 Å²	111	130.7 Å²	130.7	68%	0.681	74%	0.741	S	S	*	*			trans	-102.8	145.1	-176.8	50.2	0	0	0	0	111.8
558	N	28	Very low	27.8	Very low	135 Å²	135	129.6 Å²	129.6	72%	0.722	74%	0.743	S	S	*	*				144.2	142.8	125.5	-75.5	-36	0	0	0	114.6
559	N	29.2	Very low	27.8	Very low	132 Å²	132	127.5 Å²	127.5	71%	0.706	74%	0.739	S	S	*	*			trans	60.9	118.4	150	-57	-6.4	0	0	0	117.6
560	T	25.6	Very low	27.9	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	74%	0.741	S	S	*	*				54.1	126.4	70.1	74.3	0	0	0	0	112
561	T	29.2	Very low	28.1	Very low	118 Å²	118	128.1 Å²	128.1	72%	0.724	74%	0.737	S	S	*	*			cis	-151.9	161.4	31	46.5	0	0	0	0	114.2
562	T	29.2	Very low	28	Very low	108 Å²	108	126.7 Å²	126.7	66%	0.663	73%	0.728	S	S	*	*			trans	46.9	113.9	143.7	57.5	0	0	0	0	122
563	D	25.7	Very low	28.1	Very low	143 Å²	143	125.8 Å²	125.8	77%	0.765	73%	0.728	S	S	*	*				72.2	149	121.6	-54.8	-31.3	0	0	0	124.4
564	S	28.9	Very low	28	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	74%	0.743	S	S	*	*			trans	87.8	96.5	150.3	70.7	0	0	0	0	120.7
565	T	28.8	Very low	27.9	Very low	124 Å²	124	124.9 Å²	124.9	76%	0.761	74%	0.738	S	S	*	*				63.2	131.3	126.6	56.7	0	0	0	0	122.2
566	S	28.7	Very low	28	Very low	108 Å²	108	124.1 Å²	124.1	76%	0.755	74%	0.739	S	S	*	*			trans	65.5	150.4	147.2	62.3	0	0	0	0	118.6
567	S	28.5	Very low	28	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	73%	0.728	S	S	*	*			cis	-167.6	159.3	-19.7	-91.1	0	0	0	0	107
568	S	28.1	Very low	28.3	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	73%	0.73	S	S	*	*			trans	34.5	135.7	148	63.6	0	0	0	0	119.6
569	T	28.5	Very low	28.3	Very low	112 Å²	112	124.2 Å²	124.2	69%	0.687	73%	0.734	S	S	*	*				172	144.8	59.1	-26.7	0	0	0	0	108.3
570	I	27.9	Very low	28.3	Very low	147 Å²	147	125.4 Å²	125.4	75%	0.754	74%	0.739	S	S	*	*			trans	37.6	135.3	137.8	-62.6	174.6	0	0	0	119
571	T	28.4	Very low	28.3	Very low	121 Å²	121	125.2 Å²	125.2	74%	0.742	74%	0.742	S	S	*	*			cis	-159.7	173.9	39.5	-11.4	0	0	0	0	113.4
572	H	26.5	Very low	28.3	Very low	169 Å²	169	124.4 Å²	124.4	78%	0.782	74%	0.741	S	S	*	*			trans	-48.5	154.4	166.9	-48.1	-88.6	0	0	0	117.1
573	T	29.9	Very low	28.1	Very low	127 Å²	127	124 Å²	124	78%	0.779	74%	0.742	S	S	*	*				-173.9	125.4	107	28.7	0	0	0	0	115.1
574	T	26.9	Very low	28.2	Very low	118 Å²	118	122.5 Å²	122.5	72%	0.724	74%	0.743	S	S	*	*			trans	43.5	129.2	140.1	58.5	0	0	0	0	124.5
575	N	28.1	Very low	28	Very low	138 Å²	138	122.2 Å²	122.2	74%	0.738	74%	0.742	S	S	*	*				103.3	131.6	128.6	-74.4	11.9	0	0	0	123.7
576	T	28.5	Very low	27.8	Very low	116 Å²	116	124 Å²	124	71%	0.712	74%	0.744	S	S	*	*			trans	78.1	118.9	140.3	46.2	0	0	0	0	123.6
577	T	28.7	Very low	27.7	Very low	113 Å²	113	128.2 Å²	128.2	69%	0.693	74%	0.744	S	S	*	*			trans	75.1	118.3	134.3	54.6	0	0	0	0	122.9
578	N	31.2	Very low	27.5	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	75%	0.75	S	S	*	*			trans	64	113	130.6	-53.4	8.3	0	0	0	117.9
579	N	27.2	Very low	27.4	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	75%	0.749	S	S	*	*				68.5	109.4	68.3	-72.4	-6.5	0	0	0	114.1
580	I	30.1	Very low	27.4	Very low	158 Å²	158	131.9 Å²	131.9	81%	0.81	75%	0.751	S	S	*	*				-172.3	117.4	113.3	-91.3	155.8	0	0	0	110.2	S582	I580-S582 PolarHBondContact O-N 3.48Å; I580-S582 VanDerWaalsContact O-N 3.08Å
581	S	24.8	Very low	27.3	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	75%	0.749	S	S	*	*			trans	47.9	33.2	148.4	-49.7	0	0	0	0	122.9
582	S	28.8	Very low	27.2	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	76%	0.755	S	S	*	*			trans	-63.4	128.1	150.7	56.1	0	0	0	0	109.2	I580	I580-S582 PolarHBondContact O-N 3.48Å; I580-S582 VanDerWaalsContact O-N 3.08Å
583	S	25.7	Very low	27.3	Very low	98 Å²	98	135.5 Å²	135.5	69%	0.685	76%	0.761	S	S	*	*				57.2	127.1	64.5	87.1	0	0	0	0	114.6
584	S	27.1	Very low	27.3	Very low	112 Å²	112	137.2 Å²	137.2	78%	0.783	76%	0.764	S	S	*	*			trans	76.2	146.9	175.8	83.7	0	0	0	0	119.7
585	S	25.2	Very low	27.2	Very low	98 Å²	98	138.7 Å²	138.7	69%	0.685	77%	0.768	S	S	*	*			trans	39.9	136.4	145.5	-61.2	0	0	0	0	122.9
586	I	25.3	Very low	27.1	Very low	160 Å²	160	137 Å²	137	82%	0.821	77%	0.767	S	S	*	*			trans	73.8	138.3	165.6	-54.2	149.3	0	0	0	110.5
587	R	25.8	Very low	27	Very low	198 Å²	198	137.1 Å²	137.1	75%	0.747	77%	0.772	S	S	*	*			cis	-144.5	151.9	30.6	-147.1	157.9	-168	155.3	4.6	111.7	D589	R587-D589 WeakPolarHBondContact CD-OD1 3.42Å; R587-D589 WeakPolarHBondContact CG-OD1 3.34Å; R587-D589 IonicContact NE-OD1 2.7Å
588	C	25	Very low	27	Very low	123 Å²	123	141.5 Å²	141.5	83%	0.831	78%	0.782	S	S	*	*			trans	-98.4	102.5	157.3	-69.6	0	0	0	0	107.5	L590	C588-L590 PolarHBondContact O-N 3.15Å
589	D	25.5	Very low	26.8	Very low	132 Å²	132	145.9 Å²	145.9	71%	0.706	79%	0.789	S	S	*	*			trans	-78.7	76.5	179.2	-72.1	-43	0	0	0	111.9	R587	R587-D589 WeakPolarHBondContact CD-OD1 3.42Å; R587-D589 WeakPolarHBondContact CG-OD1 3.34Å; R587-D589 IonicContact NE-OD1 2.7Å
590	L	28.6	Very low	26.7	Very low	139 Å²	139	147.3 Å²	147.3	73%	0.728	79%	0.79	S	S	*	*			trans	-72.8	137.5	143.4	-79.7	154.9	0	0	0	108.1	C588	C588-L590 PolarHBondContact O-N 3.15Å
591	N	25.6	Very low	26.7	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	79%	0.789	S	S	*	*			trans	87	82.9	176.9	-45.6	-52	0	0	0	117.3
592	Q	27.3	Very low	26.8	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	79%	0.786	S	S	*	*	S	Bend	trans	-141.5	-11.2	150.2	-128	174.4	14.4	0	0	116.9
593	E	27.7	Very low	26.7	Very low	192 Å²	192	146.7 Å²	146.7	90%	0.897	79%	0.786	S	S	*	*	S	Bend	trans	-96.3	8.9	177.1	-71.5	-166.8	132.6	0	0	115.6
594	L	30	Very low	26.8	Very low	162 Å²	162	147.2 Å²	147.2	85%	0.848	79%	0.79	S	S	*	*	S	Bend	trans	-130.6	17.5	179.3	-82.3	174.3	0	0	0	114.8
595	N	25.2	Very low	26.9	Very low	150 Å²	150	148 Å²	148	80%	0.802	80%	0.795	S	S	*	*	S	Bend	trans	-127	50.3	176.5	-93.3	-34.4	0	0	0	112.6
596	S	26.3	Very low	26.9	Very low	102 Å²	102	148.6 Å²	148.6	71%	0.713	80%	0.799	S	S	*	*	S	Bend	trans	-139.6	137.8	162.7	60.8	0	0	0	0	109.6
597	S	26.9	Very low	27	Very low	118 Å²	118	146.3 Å²	146.3	83%	0.825	80%	0.798	S	S	*	*	S	Bend	trans	59.3	75.8	177.2	-60.2	0	0	0	0	117.2
598	F	27.6	Very low	27.2	Very low	206 Å²	206	143.3 Å²	143.3	90%	0.904	80%	0.801	S	S	*	*				-152.6	137.5	103.6	-127	-95.2	0	0	0	111.7
599	R	27.1	Very low	27.2	Very low	228 Å²	228	142 Å²	142	86%	0.86	80%	0.799	S	S	*	*			trans	-80.9	148.8	172.6	-70.3	-179.1	171.6	-155.6	-1.3	109.8	P601	R599-P601 WeakPolarHBondContact O-CD 3.33Å
600	Q	25.5	Very low	27.4	Very low	179 Å²	179	142.1 Å²	142.1	84%	0.836	81%	0.805	S	S	*	*			trans	-67.6	142.1	158.4	-67.5	178.5	-56.7	0	0	110.1
601	P	29.1	Very low	27.5	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	81%	0.806	S	S	*	*			trans	-106.8	144.1	142.5	-2.2	23	0	0	0	109.7	R599	R599-P601 WeakPolarHBondContact O-CD 3.33Å
602	D	27.5	Very low	27.9	Very low	139 Å²	139	139.1 Å²	139.1	74%	0.743	79%	0.792	S	S	*	*			trans	-78.9	149.6	-172.2	-55.5	-86.9	0	0	0	114.7
603	S	27.4	Very low	28.4	Very low	103 Å²	103	133.9 Å²	133.9	72%	0.72	78%	0.777	S	S	*	*			trans	69	142.6	143.4	71.7	0	0	0	0	121.1
604	S	26.7	Very low	28.5	Very low	109 Å²	109	131 Å²	131	76%	0.762	77%	0.767	S	S	*	*			trans	54.9	87.6	156.8	57.9	0	0	0	0	118.9
605	S	30.2	Very low	28.8	Very low	127 Å²	127	128.1 Å²	128.1	89%	0.888	75%	0.752	S	S	*	*				-175.4	155.7	113	41	0	0	0	0	111.7
606	S	25.6	Very low	29.6	Very low	111 Å²	111	122 Å²	122	78%	0.776	72%	0.721	S	S	*	*			trans	-89.2	129.2	-179.7	53	0	0	0	0	112.2
607	S	26.2	Very low	30.2	Very low	112 Å²	112	121.2 Å²	121.2	78%	0.783	71%	0.708	S	S	*	*			trans	170.6	160	130.1	50.5	0	0	0	0	113.4
608	V	29.6	Very low	30.9	Very low	135 Å²	135	119.2 Å²	119.2	82%	0.818	69%	0.687	S	S	*	*			trans	67.1	123.6	168.2	-164.4	0	0	0	0	116.8
609	A	26.3	Very low	32	Very low	96 Å²	96	111.9 Å²	111.9	79%	0.793	66%	0.656	S	S	*	*			trans	-83.1	140.3	175.5	0	0	0	0	0	112.3
610	T	30.1	Very low	33	Very low	134 Å²	134	102.3 Å²	102.3	82%	0.822	62%	0.62	S	S	*	*			trans	-109.2	149	172.8	43.3	0	0	0	0	111.3
611	L	30.3	Very low	34.4	Very low	143 Å²	143	100 Å²	100	75%	0.749	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-69.6	146.8	-168.1	-86.3	65.9	0	0	0	113.6
612	P	32.7	Very low	35.5	Very low	68 Å²	68	99.1 Å²	99.1	44%	0.442	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-55.5	135.5	156.1	-21.7	33.5	0	0	0	110.9
613	S	37.5	Very low	36.8	Very low	77 Å²	77	93 Å²	93	54%	0.538	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-62.7	158	-176.9	70.1	0	0	0	0	113.6	N615 S616	S613-N615 PolarHBondContact O-N 3.26Å; S613-S616 PolarHBondContact O-N 3.13Å; S613-S616 PolarHBondContact O-OG 2.77Å; S613-S616 VanDerWaalsContact O-OG 3.09Å
614	L	31	Very low	38	Very low	132 Å²	132	90.6 Å²	90.6	69%	0.691	54%	0.542	S	S	*	.	H	α-helix	trans	-46.9	-32.7	178.4	-91	87.6	0	0	0	114.2	S616 I617 I618	L614-S616 VanDerWaalsContact C-N 3.29Å; L614-S616 PolarHBondContact O-N 3.2Å; L614-I617 PolarHBondContact O-N 3.07Å; L614-I617 VanDerWaalsContact O-N 3.15Å; L614-I618 HydrophobicContact CB-CD1 4.43Å; L614-I618 WeakPolarHBondContact O-CG1 3.36Å; L614-I618 PolarHBondContact O-N 3.4Å; L614-I618 VanDerWaalsContact O-N 3.08Å
615	N	36.6	Very low	39.5	Very low	101 Å²	101	88.9 Å²	88.9	54%	0.54	53%	0.53	S	S	.	.	H	α-helix	trans	-56.5	-39	-178.7	-66.4	-7.2	0	0	0	112.6	S613 I617 I618 H619	S613-N615 PolarHBondContact O-N 3.26Å; N615-I617 VanDerWaalsContact C-N 3.33Å; N615-I617 PolarHBondContact O-N 3.07Å; N615-I618 PolarHBondContact O-N 2.82Å; N615-H619 PolarHBondContact O-CD2 3.08Å; N615-H619 PolarHBondContact O-N 3.46Å
616	S	41.4	Very low	40.7	Very low	21 Å²	21	84.7 Å²	84.7	15%	0.147	50%	0.496	C	S	.	.	H	α-helix	trans	-68	-33.9	-179.3	62.8	0	0	0	0	112.5	S613 L614 Y620	S613-S616 PolarHBondContact O-N 3.13Å; S613-S616 PolarHBondContact O-OG 2.77Å; S613-S616 VanDerWaalsContact O-OG 3.09Å; L614-S616 VanDerWaalsContact C-N 3.29Å; L614-S616 PolarHBondContact O-N 3.2Å; S616-Y620 PolarHBondContact O-N 3.02Å; S616-Y620 VanDerWaalsContact O-N 3.08Å
617	I	39.6	Very low	42	Very low	85 Å²	85	79.8 Å²	79.8	44%	0.436	46%	0.461	S	S	.	.	H	α-helix	trans	-67.5	-46.9	175	-57.1	174.8	0	0	0	109.6	L614 N615 H619 Y620 E621	L614-I617 PolarHBondContact O-N 3.07Å; L614-I617 VanDerWaalsContact O-N 3.15Å; N615-I617 VanDerWaalsContact C-N 3.33Å; N615-I617 PolarHBondContact O-N 3.07Å; I617-H619 VanDerWaalsContact C-N 3.32Å; I617-H619 PolarHBondContact O-N 2.8Å; I617-Y620 PolarHBondContact O-N 2.82Å; I617-Y620 VanDerWaalsContact O-N 3.16Å; I617-E621 PolarHBondContact O-N 2.98Å
618	I	41.7	Very low	43.7	Very low	77 Å²	77	77.9 Å²	77.9	40%	0.395	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-41.1	177.9	-65.3	165.3	0	0	0	111.1	L614 N615 N622	L614-I618 HydrophobicContact CB-CD1 4.43Å; L614-I618 WeakPolarHBondContact O-CG1 3.36Å; L614-I618 PolarHBondContact O-N 3.4Å; L614-I618 VanDerWaalsContact O-N 3.08Å; N615-I618 PolarHBondContact O-N 2.82Å; I618-N622 PolarHBondContact O-N 3.45Å; I618-N622 PolarHBondContact O-ND2 2.71Å
619	H	51	Low	44.9	Very low	52 Å²	52	74.7 Å²	74.7	24%	0.241	42%	0.419	C	S	.	.	H	α-helix	trans	-66.7	-40	175.9	-71.6	-58.7	0	0	0	112.6	N615 I617 N622 I623 Y691	N615-H619 PolarHBondContact O-CD2 3.08Å; N615-H619 PolarHBondContact O-N 3.46Å; I617-H619 VanDerWaalsContact C-N 3.32Å; I617-H619 PolarHBondContact O-N 2.8Å; H619-N622 PolarHBondContact O-N 3.32Å; H619-I623 WeakPolarHBondContact O-CG1 3.24Å; H619-I623 PolarHBondContact O-N 3.37Å; H619-Y691 AromaticContact CD2-CD1 3.93Å; H619-Y691 AromaticContact CD2-CE1 3.92Å; H619-Y691 AromaticContact CE1-CD1 3.95Å; H619-Y691 AromaticContact CE1-CE1 3.28Å; H619-Y691 WeakPolarHBondContact CE1-CE1 3.09Å; H619-Y691 AromaticContact CE1-CZ 3.36Å; H619-Y691 AromaticContact ND1-CE1 3.85Å; H619-Y691 AromaticContact ND1-CZ 3.84Å; H619-Y691 AromaticContact NE2-CD1 3.83Å; H619-Y691 AromaticContact NE2-CE1 3.33Å; H619-Y691 VanDerWaalsContact NE2-CE1 3.33Å; H619-Y691 WeakPolarHBondContact NE2-CE1 3.35Å; H619-Y691 AromaticContact NE2-CZ 3.91Å
620	Y	47.8	Very low	46.2	Very low	27 Å²	27	71 Å²	71	11%	0.106	39%	0.386	C	S	.	.	H	α-helix	trans	-65.5	-45.1	177.5	-177.3	-91.8	0	0	0	112.5	S616 I617 N622 I623 H624 L706 L707 R710 E728	S616-Y620 PolarHBondContact O-N 3.02Å; S616-Y620 VanDerWaalsContact O-N 3.08Å; I617-Y620 PolarHBondContact O-N 2.82Å; I617-Y620 VanDerWaalsContact O-N 3.16Å; Y620-N622 VanDerWaalsContact C-N 3.3Å; Y620-N622 PolarHBondContact O-N 2.71Å; Y620-I623 PolarHBondContact O-N 3.11Å; Y620-I623 VanDerWaalsContact O-N 3.16Å; Y620-H624 HydrophobicContact CE1-CB 4.46Å; Y620-H624 PolarHBondContact O-N 3.49Å; Y620-L706 HydrophobicContact CD2-CB 4.45Å; Y620-L707 HydrophobicContact CE2-CD2 3.81Å; Y620-L707 HydrophobicContact CE2-CG 4.42Å; Y620-L707 VanDerWaalsContact OH-CD2 3.26Å; Y620-L707 WeakPolarHBondContact OH-CD2 3.45Å; Y620-R710 WeakPolarHBondContact OH-CD 3.41Å; Y620-R710 PolarHBondContact OH-NH1 2.75Å; Y620-E728 PolarHBondContact OH-OE2 2.83Å
621	E	53.6	Low	47.6	Very low	130 Å²	130	68.1 Å²	68.1	61%	0.607	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-40.8	175.7	-72.5	-167.2	145.1	0	0	112.5	I617 S625	I617-E621 PolarHBondContact O-N 2.98Å; E621-S625 VanDerWaalsContact O-CB 3.23Å; E621-S625 WeakPolarHBondContact O-CB 3.39Å; E621-S625 PolarHBondContact O-N 3Å
622	N	53.5	Low	49	Very low	103 Å²	103	65 Å²	65	55%	0.551	35%	0.348	S	S	*	.	H	α-helix	trans	-64.2	-41.6	176.2	-83.1	-71.4	0	0	0	112.1	I618 H619 Y620 F626	I618-N622 PolarHBondContact O-N 3.45Å; I618-N622 PolarHBondContact O-ND2 2.71Å; H619-N622 PolarHBondContact O-N 3.32Å; Y620-N622 VanDerWaalsContact C-N 3.3Å; Y620-N622 PolarHBondContact O-N 2.71Å; N622-F626 WeakPolarHBondContact O-CB 3.15Å; N622-F626 PolarHBondContact O-N 2.88Å
623	I	53.2	Low	49.9	Very low	10 Å²	10	62.9 Å²	62.9	5%	0.051	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-48.4	176.9	-77	169.8	0	0	0	111.2	H619 Y620 S625 F626 M627 F684 I687 F692	H619-I623 WeakPolarHBondContact O-CG1 3.24Å; H619-I623 PolarHBondContact O-N 3.37Å; Y620-I623 PolarHBondContact O-N 3.11Å; Y620-I623 VanDerWaalsContact O-N 3.16Å; I623-S625 PolarHBondContact O-N 3.22Å; I623-F626 CarbonylContact O-C 3.59Å; I623-F626 WeakPolarHBondContact O-CA 3.42Å; I623-F626 WeakPolarHBondContact O-CB 3.44Å; I623-F626 PolarHBondContact O-N 2.84Å; I623-M627 HydrophobicContact CG2-SD 3.72Å; I623-M627 WeakPolarHBondContact O-CG 3.48Å; I623-M627 PolarHBondContact O-N 3.34Å; I623-F684 HydrophobicContact CG2-CE2 4.22Å; I623-I687 HydrophobicContact CD1-CG2 4.06Å; I623-I687 HydrophobicContact CG1-CG2 4.06Å; I623-F692 HydrophobicContact CD1-CD2 4.1Å; I623-F692 HydrophobicContact CD1-CE2 3.48Å; I623-F692 VanDerWaalsContact CD1-CE2 3.48Å; I623-F692 HydrophobicContact CD1-CZ 4.42Å
624	H	53.9	Low	50.6	Low	52 Å²	52	62.8 Å²	62.8	24%	0.241	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-43.2	178.9	178	-102.9	0	0	0	112.3	Y620 F626 M627 I628 R710	Y620-H624 HydrophobicContact CE1-CB 4.46Å; Y620-H624 PolarHBondContact O-N 3.49Å; H624-F626 PolarHBondContact O-N 3.44Å; H624-M627 PolarHBondContact O-N 3.09Å; H624-I628 WeakPolarHBondContact CE1-CD1 3.25Å; H624-I628 PolarHBondContact O-N 2.87Å; H624-R710 PolarHBondContact CD2-NH1 2.99Å; H624-R710 VanDerWaalsContact CD2-NH1 3.35Å; H624-R710 PolarHBondContact CD2-NH2 3.28Å; H624-R710 PolarHBondContact CE1-NH2 2.93Å; H624-R710 PolarHBondContact ND1-NH2 3.45Å; H624-R710 VanDerWaalsContact ND1-NH2 3.16Å; H624-R710 PolarHBondContact NE2-NH1 2.87Å; H624-R710 PolarHBondContact NE2-NH2 3.36Å
625	S	57	Low	52	Low	74 Å²	74	61.9 Å²	61.9	52%	0.517	32%	0.316	S	S	.	.	H	α-helix	trans	-57.6	-39.1	171.8	-175.4	0	0	0	0	111.6	E621 I623 D629	E621-S625 VanDerWaalsContact O-CB 3.23Å; E621-S625 WeakPolarHBondContact O-CB 3.39Å; E621-S625 PolarHBondContact O-N 3Å; I623-S625 PolarHBondContact O-N 3.22Å; S625-D629 WeakPolarHBondContact O-CB 3.48Å; S625-D629 PolarHBondContact O-N 3.29Å
626	F	55.3	Low	52.9	Low	39 Å²	39	62.5 Å²	62.5	17%	0.171	32%	0.316	C	S	.	.	H	α-helix	trans	-70	-37.6	177.5	-159.5	-88.2	0	0	0	113.7	N622 I623 H624 D629 I630 K680 F684	N622-F626 WeakPolarHBondContact O-CB 3.15Å; N622-F626 PolarHBondContact O-N 2.88Å; I623-F626 CarbonylContact O-C 3.59Å; I623-F626 WeakPolarHBondContact O-CA 3.42Å; I623-F626 WeakPolarHBondContact O-CB 3.44Å; I623-F626 PolarHBondContact O-N 2.84Å; H624-F626 PolarHBondContact O-N 3.44Å; F626-D629 WeakPolarHBondContact O-CB 3.38Å; F626-D629 PolarHBondContact O-N 3Å; F626-I630 HydrophobicContact CD1-CD1 3.78Å; F626-I630 HydrophobicContact CD1-CG1 4.22Å; F626-I630 HydrophobicContact CE1-CD1 3.68Å; F626-I630 HydrophobicContact CE1-CG1 4.17Å; F626-I630 PolarHBondContact O-N 3.04Å; F626-K680 HydrophobicContact CE1-CB 4.01Å; F626-K680 HydrophobicContact CE1-CD 4.05Å; F626-K680 HydrophobicContact CE1-CG 4.25Å; F626-K680 WeakPolarHBondContact CE1-O 3.48Å; F626-K680 HydrophobicContact CE2-CD 3.94Å; F626-K680 VanDerWaalsContact CE2-CE 3.46Å; F626-K680 HydrophobicContact CE2-CG 4.12Å; F626-K680 HydrophobicContact CZ-CB 3.65Å; F626-K680 HydrophobicContact CZ-CD 3.58Å; F626-K680 HydrophobicContact CZ-CG 3.53Å; F626-K680 VanDerWaalsContact CZ-O 3.29Å; F626-K680 WeakPolarHBondContact CZ-O 3.23Å; F626-F684 HydrophobicContact CD1-CB 4.3Å; F626-F684 AromaticContact CD1-CD2 3.94Å; F626-F684 HydrophobicContact CD1-CD2 3.94Å; F626-F684 HydrophobicContact CE1-CB 3.83Å; F626-F684 HydrophobicContact CE1-CD2 4.33Å
627	M	54.4	Low	53.4	Low	8 Å²	8	65.8 Å²	65.8	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-46.6	174.4	-74.2	160.9	53.8	0	0	111.2	I623 H624 D629 I630 Q631 F684 E728 W731 I732	I623-M627 HydrophobicContact CG2-SD 3.72Å; I623-M627 WeakPolarHBondContact O-CG 3.48Å; I623-M627 PolarHBondContact O-N 3.34Å; H624-M627 PolarHBondContact O-N 3.09Å; M627-D629 VanDerWaalsContact C-N 3.28Å; M627-D629 PolarHBondContact O-N 3.43Å; M627-I630 PolarHBondContact O-N 3.49Å; M627-Q631 WeakPolarHBondContact O-CG 3.18Å; M627-Q631 PolarHBondContact O-N 2.97Å; M627-F684 HydrophobicContact CG-CE2 4.15Å; M627-E728 HydrophobicContact CE-CG 4.21Å; M627-E728 WeakPolarHBondContact CE-OE1 3.08Å; M627-W731 HydrophobicContact CE-CE3 4.46Å; M627-W731 HydrophobicContact CE-CZ3 4.08Å; M627-I732 HydrophobicContact CE-CD1 3.98Å; M627-I732 HydrophobicContact CE-CG1 4.14Å; M627-I732 HydrophobicContact SD-CD1 4.07Å; M627-I732 HydrophobicContact SD-CG1 4.34Å
628	I	62.2	Low	53.9	Low	71 Å²	71	65.3 Å²	65.3	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-56.6	-44	172	-72.5	174	0	0	0	110.9	H624 I630 Q631 N632	H624-I628 WeakPolarHBondContact CE1-CD1 3.25Å; H624-I628 PolarHBondContact O-N 2.87Å; I628-I630 VanDerWaalsContact C-N 3.34Å; I628-I630 PolarHBondContact O-N 3.23Å; I628-Q631 PolarHBondContact O-N 3.41Å; I628-N632 WeakPolarHBondContact CG2-ND2 3.43Å; I628-N632 WeakPolarHBondContact O-CB 3.4Å; I628-N632 VanDerWaalsContact O-CG 3.26Å; I628-N632 PolarHBondContact O-N 3.33Å; I628-N632 PolarHBondContact O-ND2 2.95Å
629	D	53.6	Low	54.5	Low	68 Å²	68	66.5 Å²	66.5	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-37.2	179.4	-137.1	41.9	0	0	0	112.1	S625 F626 M627 T633 K680	S625-D629 WeakPolarHBondContact O-CB 3.48Å; S625-D629 PolarHBondContact O-N 3.29Å; F626-D629 WeakPolarHBondContact O-CB 3.38Å; F626-D629 PolarHBondContact O-N 3Å; M627-D629 VanDerWaalsContact C-N 3.28Å; M627-D629 PolarHBondContact O-N 3.43Å; D629-T633 WeakPolarHBondContact O-CB 3.45Å; D629-T633 PolarHBondContact O-N 3.33Å; D629-T633 PolarHBondContact O-OG1 3.39Å; D629-K680 IonicContact OD2-NZ 3.8Å; D629-K680 PolarHBondContact OD2-NZ 2.82Å
630	I	54.7	Low	54.3	Low	19 Å²	19	65.4 Å²	65.4	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-52.2	171.9	-75	174.2	0	0	0	110.6	F626 M627 I628 N632 T633 I634 L681	F626-I630 HydrophobicContact CD1-CD1 3.78Å; F626-I630 HydrophobicContact CD1-CG1 4.22Å; F626-I630 HydrophobicContact CE1-CD1 3.68Å; F626-I630 HydrophobicContact CE1-CG1 4.17Å; F626-I630 PolarHBondContact O-N 3.04Å; M627-I630 PolarHBondContact O-N 3.49Å; I628-I630 VanDerWaalsContact C-N 3.34Å; I628-I630 PolarHBondContact O-N 3.23Å; I630-N632 VanDerWaalsContact C-N 3.27Å; I630-N632 PolarHBondContact O-N 3.01Å; I630-T633 WeakPolarHBondContact O-CB 3.45Å; I630-T633 PolarHBondContact O-N 3.44Å; I630-I634 HydrophobicContact CG2-CD1 3.73Å; I630-I634 HydrophobicContact CG2-CG1 4.42Å; I630-I634 WeakPolarHBondContact O-CG1 3.49Å; I630-I634 PolarHBondContact O-N 2.85Å; I630-L681 HydrophobicContact CD1-CD2 3.98Å
631	Q	58.1	Low	54.1	Low	74 Å²	74	67.1 Å²	67.1	35%	0.346	34%	0.336	S	S	.	.	H	α-helix	trans	-57	-42.3	-179.7	-70.9	-177.5	7.6	0	0	111.5	M627 I628 I634 K635	M627-Q631 WeakPolarHBondContact O-CG 3.18Å; M627-Q631 PolarHBondContact O-N 2.97Å; I628-Q631 PolarHBondContact O-N 3.41Å; Q631-I634 PolarHBondContact O-N 3.5Å; Q631-K635 WeakPolarHBondContact O-CB 3.45Å; Q631-K635 VanDerWaalsContact O-CG 3.25Å; Q631-K635 WeakPolarHBondContact O-CG 3.28Å; Q631-K635 PolarHBondContact O-N 2.84Å
632	N	61.2	Low	53.8	Low	78 Å²	78	65.5 Å²	65.5	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-67.5	-37.6	176.1	-71.6	-25.5	0	0	0	112.4	I628 I630 I634 K635 E636	I628-N632 WeakPolarHBondContact CG2-ND2 3.43Å; I628-N632 WeakPolarHBondContact O-CB 3.4Å; I628-N632 VanDerWaalsContact O-CG 3.26Å; I628-N632 PolarHBondContact O-N 3.33Å; I628-N632 PolarHBondContact O-ND2 2.95Å; I630-N632 VanDerWaalsContact C-N 3.27Å; I630-N632 PolarHBondContact O-N 3.01Å; N632-I634 VanDerWaalsContact C-N 3.34Å; N632-K635 PolarHBondContact O-N 2.83Å; N632-E636 PolarHBondContact O-N 2.97Å
633	T	50.9	Low	53.4	Low	22 Å²	22	65.8 Å²	65.8	14%	0.135	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-39.2	174.2	-57.7	0	0	0	0	111.7	D629 I630 W637 Y676 I677	D629-T633 WeakPolarHBondContact O-CB 3.45Å; D629-T633 PolarHBondContact O-N 3.33Å; D629-T633 PolarHBondContact O-OG1 3.39Å; I630-T633 WeakPolarHBondContact O-CB 3.45Å; I630-T633 PolarHBondContact O-N 3.44Å; T633-W637 WeakPolarHBondContact O-CB 3.38Å; T633-W637 PolarHBondContact O-N 2.94Å; T633-Y676 HydrophobicContact CG2-CD1 4.47Å; T633-Y676 HydrophobicContact CG2-CE1 4.48Å; T633-I677 HydrophobicContact CG2-CD1 3.97Å; T633-I677 HydrophobicContact CG2-CG1 3.7Å
634	I	52.5	Low	52.8	Low	76 Å²	76	66.5 Å²	66.5	39%	0.39	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-43.2	175.4	-66.2	168.9	0	0	0	110.7	I630 Q631 N632 W637 I638	I630-I634 HydrophobicContact CG2-CD1 3.73Å; I630-I634 HydrophobicContact CG2-CG1 4.42Å; I630-I634 WeakPolarHBondContact O-CG1 3.49Å; I630-I634 PolarHBondContact O-N 2.85Å; Q631-I634 PolarHBondContact O-N 3.5Å; N632-I634 VanDerWaalsContact C-N 3.34Å; I634-W637 WeakPolarHBondContact O-CB 3.36Å; I634-W637 PolarHBondContact O-N 2.9Å; I634-W637 VanDerWaalsContact O-N 3.13Å; I634-I638 HydrophobicContact CG2-CD1 4.02Å; I634-I638 WeakPolarHBondContact O-CG1 3.48Å; I634-I638 PolarHBondContact O-N 2.96Å
635	K	60.8	Low	52	Low	112 Å²	112	68.4 Å²	68.4	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-45	174.4	-71.6	164.3	-175.2	169.3	0	111.9	Q631 N632 W637 I638 L639	Q631-K635 WeakPolarHBondContact O-CB 3.45Å; Q631-K635 VanDerWaalsContact O-CG 3.25Å; Q631-K635 WeakPolarHBondContact O-CG 3.28Å; Q631-K635 PolarHBondContact O-N 2.84Å; N632-K635 PolarHBondContact O-N 2.83Å; K635-W637 VanDerWaalsContact C-N 3.3Å; K635-W637 PolarHBondContact O-N 3.04Å; K635-I638 PolarHBondContact O-N 3.08Å; K635-L639 WeakPolarHBondContact O-CG 3.29Å; K635-L639 PolarHBondContact O-N 2.85Å
636	E	55	Low	51.1	Low	115 Å²	115	72.5 Å²	72.5	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-59.8	-39.1	172.2	-80.8	-161	173.3	0	0	112.3	N632 L639 I640	N632-E636 PolarHBondContact O-N 2.97Å; E636-L639 PolarHBondContact O-N 3.06Å; E636-I640 WeakPolarHBondContact O-CB 3.14Å; E636-I640 WeakPolarHBondContact O-CD1 3.42Å; E636-I640 WeakPolarHBondContact O-CG1 3.42Å; E636-I640 PolarHBondContact O-N 3.4Å
637	W	50.3	Low	50.3	Low	89 Å²	89	74 Å²	74	34%	0.337	36%	0.361	S	S	.	.	H	α-helix	trans	-67.4	-42.9	-179.6	-169.3	59.2	0	0	0	112.1	T633 I634 K635 I640 I641	T633-W637 WeakPolarHBondContact O-CB 3.38Å; T633-W637 PolarHBondContact O-N 2.94Å; I634-W637 WeakPolarHBondContact O-CB 3.36Å; I634-W637 PolarHBondContact O-N 2.9Å; I634-W637 VanDerWaalsContact O-N 3.13Å; K635-W637 VanDerWaalsContact C-N 3.3Å; K635-W637 PolarHBondContact O-N 3.04Å; W637-I640 PolarHBondContact O-N 2.79Å; W637-I641 HydrophobicContact CD2-CD1 3.89Å; W637-I641 HydrophobicContact CE3-CD1 4.13Å; W637-I641 HydrophobicContact CG-CD1 4.39Å; W637-I641 HydrophobicContact CH2-CD1 4.35Å; W637-I641 HydrophobicContact CZ2-CD1 4.11Å; W637-I641 HydrophobicContact CZ3-CD1 4.35Å; W637-I641 WeakPolarHBondContact O-CG1 3.35Å; W637-I641 PolarHBondContact O-N 3.42Å
638	I	50.5	Low	49.6	Very low	75 Å²	75	78.3 Å²	78.3	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-59.9	-47.3	173	-67.3	165.8	0	0	0	110.5	I634 K635 I640 I641 Q642	I634-I638 HydrophobicContact CG2-CD1 4.02Å; I634-I638 WeakPolarHBondContact O-CG1 3.48Å; I634-I638 PolarHBondContact O-N 2.96Å; K635-I638 PolarHBondContact O-N 3.08Å; I638-I640 VanDerWaalsContact C-N 3.33Å; I638-I640 PolarHBondContact O-N 2.66Å; I638-I641 WeakPolarHBondContact O-CB 3.48Å; I638-I641 PolarHBondContact O-N 3.09Å; I638-I641 VanDerWaalsContact O-N 3.1Å; I638-Q642 HydrophobicContact CG2-CG 4.48Å; I638-Q642 WeakPolarHBondContact O-CG 3.41Å; I638-Q642 PolarHBondContact O-N 3.16Å
639	L	54	Low	48.5	Very low	103 Å²	103	81.4 Å²	81.4	54%	0.539	40%	0.401	S	S	.	.	H	α-helix	trans	-60	-40.4	176.6	-71.8	169.3	0	0	0	112.2	K635 E636 I641 Q642 D643	K635-L639 WeakPolarHBondContact O-CG 3.29Å; K635-L639 PolarHBondContact O-N 2.85Å; E636-L639 PolarHBondContact O-N 3.06Å; L639-I641 VanDerWaalsContact C-N 3.32Å; L639-I641 PolarHBondContact O-N 3Å; L639-Q642 PolarHBondContact O-N 3.37Å; L639-D643 WeakPolarHBondContact O-CB 3.36Å; L639-D643 PolarHBondContact O-N 2.96Å
640	I	47.7	Very low	47.8	Very low	28 Å²	28	81.5 Å²	81.5	14%	0.144	40%	0.404	C	S	.	.	H	α-helix	trans	-64.4	-35.9	175.5	-71.4	160.7	0	0	0	111.7	E636 W637 I638 T644	E636-I640 WeakPolarHBondContact O-CB 3.14Å; E636-I640 WeakPolarHBondContact O-CD1 3.42Å; E636-I640 WeakPolarHBondContact O-CG1 3.42Å; E636-I640 PolarHBondContact O-N 3.4Å; W637-I640 PolarHBondContact O-N 2.79Å; I638-I640 VanDerWaalsContact C-N 3.33Å; I638-I640 PolarHBondContact O-N 2.66Å; I640-T644 WeakPolarHBondContact O-CB 3.44Å; I640-T644 WeakPolarHBondContact O-CG2 3.34Å; I640-T644 PolarHBondContact O-N 3.44Å; I640-T644 PolarHBondContact O-OG1 3.16Å
641	I	44.4	Very low	46.8	Very low	64 Å²	64	84.5 Å²	84.5	33%	0.328	42%	0.423	S	S	.	.	H	α-helix	trans	-70.2	-37.7	175.4	-68.2	163.9	0	0	0	110.8	W637 I638 L639 T644 N645	W637-I641 HydrophobicContact CD2-CD1 3.89Å; W637-I641 HydrophobicContact CE3-CD1 4.13Å; W637-I641 HydrophobicContact CG-CD1 4.39Å; W637-I641 HydrophobicContact CH2-CD1 4.35Å; W637-I641 HydrophobicContact CZ2-CD1 4.11Å; W637-I641 HydrophobicContact CZ3-CD1 4.35Å; W637-I641 WeakPolarHBondContact O-CG1 3.35Å; W637-I641 PolarHBondContact O-N 3.42Å; I638-I641 WeakPolarHBondContact O-CB 3.48Å; I638-I641 PolarHBondContact O-N 3.09Å; I638-I641 VanDerWaalsContact O-N 3.1Å; L639-I641 VanDerWaalsContact C-N 3.32Å; L639-I641 PolarHBondContact O-N 3Å; I641-T644 PolarHBondContact O-OG1 3.13Å; I641-N645 WeakPolarHBondContact O-CB 3.49Å; I641-N645 PolarHBondContact O-N 3.21Å; I641-N645 PolarHBondContact O-ND2 2.95Å
642	Q	46.9	Very low	45.7	Very low	96 Å²	96	89.5 Å²	89.5	45%	0.449	44%	0.44	S	S	.	.	H	α-helix	trans	-68.2	-48.8	174.7	-69.8	171.3	-11.8	0	0	111.7	I638 L639 T644 N645 Y646	I638-Q642 HydrophobicContact CG2-CG 4.48Å; I638-Q642 WeakPolarHBondContact O-CG 3.41Å; I638-Q642 PolarHBondContact O-N 3.16Å; L639-Q642 PolarHBondContact O-N 3.37Å; Q642-T644 VanDerWaalsContact C-N 3.3Å; Q642-T644 PolarHBondContact O-N 2.74Å; Q642-N645 PolarHBondContact O-N 2.93Å; Q642-Y646 PolarHBondContact O-N 3.06Å
643	D	44.6	Very low	44.3	Very low	108 Å²	108	92.9 Å²	92.9	58%	0.578	45%	0.448	S	S	*	.	H	α-helix	trans	-57.7	-39.5	174.8	-96.2	-7.1	0	0	0	112.4	L639 Y646 L647	L639-D643 WeakPolarHBondContact O-CB 3.36Å; L639-D643 PolarHBondContact O-N 2.96Å; D643-Y646 WeakPolarHBondContact O-CB 3.39Å; D643-Y646 PolarHBondContact O-N 2.97Å; D643-L647 WeakPolarHBondContact O-CD1 3.22Å; D643-L647 PolarHBondContact O-N 3.43Å
644	T	39.8	Very low	43.6	Very low	26 Å²	26	100.1 Å²	100.1	16%	0.16	49%	0.485	C	S	.	.	H	α-helix	trans	-75.1	-33.1	178.6	46.8	0	0	0	0	112.9	I640 I641 Q642 Y646 L647 L648	I640-T644 WeakPolarHBondContact O-CB 3.44Å; I640-T644 WeakPolarHBondContact O-CG2 3.34Å; I640-T644 PolarHBondContact O-N 3.44Å; I640-T644 PolarHBondContact O-OG1 3.16Å; I641-T644 PolarHBondContact O-OG1 3.13Å; Q642-T644 VanDerWaalsContact C-N 3.3Å; Q642-T644 PolarHBondContact O-N 2.74Å; T644-Y646 VanDerWaalsContact C-N 3.3Å; T644-L647 PolarHBondContact O-N 3.05Å; T644-L648 WeakPolarHBondContact O-CB 3.2Å; T644-L648 WeakPolarHBondContact O-CD1 3.1Å; T644-L648 PolarHBondContact O-N 3.14Å
645	N	37.9	Very low	42.8	Very low	91 Å²	91	101 Å²	101	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-35.3	166	-81.7	-60.4	0	0	0	112	I641 Q642 N649	I641-N645 WeakPolarHBondContact O-CB 3.49Å; I641-N645 PolarHBondContact O-N 3.21Å; I641-N645 PolarHBondContact O-ND2 2.95Å; Q642-N645 PolarHBondContact O-N 2.93Å; N645-N649 WeakPolarHBondContact O-CB 3.28Å; N645-N649 PolarHBondContact O-N 2.61Å; N645-N649 PolarHBondContact O-ND2 3.02Å
646	Y	38.9	Very low	41.6	Very low	161 Å²	161	103.7 Å²	103.7	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-68.9	-44.8	174.5	-169.3	-93.6	0	0	0	112.1	Q642 D643 T644 N649 T650	Q642-Y646 PolarHBondContact O-N 3.06Å; D643-Y646 WeakPolarHBondContact O-CB 3.39Å; D643-Y646 PolarHBondContact O-N 2.97Å; T644-Y646 VanDerWaalsContact C-N 3.3Å; Y646-N649 PolarHBondContact O-N 3.21Å; Y646-T650 HydrophobicContact CD1-CG2 4.25Å; Y646-T650 HydrophobicContact CE1-CG2 3.92Å; Y646-T650 WeakPolarHBondContact O-CB 3.44Å; Y646-T650 WeakPolarHBondContact O-CG2 3.46Å; Y646-T650 PolarHBondContact O-N 2.83Å; Y646-T650 PolarHBondContact O-OG1 3.15Å
647	L	38.6	Very low	40.8	Very low	70 Å²	70	104.3 Å²	104.3	37%	0.366	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-46.5	176.4	-102.4	75.1	0	0	0	112.3	D643 T644 N649 T650 T651 F662	D643-L647 WeakPolarHBondContact O-CD1 3.22Å; D643-L647 PolarHBondContact O-N 3.43Å; T644-L647 PolarHBondContact O-N 3.05Å; L647-N649 PolarHBondContact O-N 2.86Å; L647-T650 WeakPolarHBondContact CA-OG1 3.45Å; L647-T650 PolarHBondContact O-N 2.81Å; L647-T650 PolarHBondContact O-OG1 3.26Å; L647-T651 PolarHBondContact O-N 2.87Å; L647-T651 PolarHBondContact O-OG1 2.87Å; L647-T651 VanDerWaalsContact O-OG1 3.12Å; L647-F662 HydrophobicContact CD2-CZ 4.39Å
648	L	39.9	Very low	40.2	Very low	99 Å²	99	108.4 Å²	108.4	52%	0.518	52%	0.518	S	S	.	.	H	α-helix	trans	-59.7	-29.9	177.8	-99.4	67.8	0	0	0	112.7	T644	T644-L648 WeakPolarHBondContact O-CB 3.2Å; T644-L648 WeakPolarHBondContact O-CD1 3.1Å; T644-L648 PolarHBondContact O-N 3.14Å
649	N	38.6	Very low	39.7	Very low	136 Å²	136	109.4 Å²	109.4	73%	0.727	52%	0.521	S	S	*	.	H	α-helix	trans	-84.5	-10.6	175.8	-78.4	-62.2	0	0	0	114.3	N645 Y646 L647	N645-N649 WeakPolarHBondContact O-CB 3.28Å; N645-N649 PolarHBondContact O-N 2.61Å; N645-N649 PolarHBondContact O-ND2 3.02Å; Y646-N649 PolarHBondContact O-N 3.21Å; L647-N649 PolarHBondContact O-N 2.86Å
650	T	37.5	Very low	39.1	Very low	69 Å²	69	107.4 Å²	107.4	42%	0.423	51%	0.511	S	S	.	.	H	α-helix	trans	-119.1	-24.1	-173.5	51.9	0	0	0	0	115.1	Y646 L647 Y652	Y646-T650 HydrophobicContact CD1-CG2 4.25Å; Y646-T650 HydrophobicContact CE1-CG2 3.92Å; Y646-T650 WeakPolarHBondContact O-CB 3.44Å; Y646-T650 WeakPolarHBondContact O-CG2 3.46Å; Y646-T650 PolarHBondContact O-N 2.83Å; Y646-T650 PolarHBondContact O-OG1 3.15Å; L647-T650 WeakPolarHBondContact CA-OG1 3.45Å; L647-T650 PolarHBondContact O-N 2.81Å; L647-T650 PolarHBondContact O-OG1 3.26Å; T650-Y652 PolarHBondContact O-N 3.46Å
651	T	33.9	Very low	39	Very low	83 Å²	83	109.5 Å²	109.5	51%	0.509	52%	0.52	S	S	.	.			trans	-78.9	88.9	178.7	53.9	0	0	0	0	112.6	L647	L647-T651 PolarHBondContact O-N 2.87Å; L647-T651 PolarHBondContact O-OG1 2.87Å; L647-T651 VanDerWaalsContact O-OG1 3.12Å
652	Y	36.4	Very low	39.1	Very low	179 Å²	179	110.2 Å²	110.2	70%	0.702	52%	0.521	S	S	*	.			trans	-58.4	145	166.1	-99.7	-104.4	0	0	0	112.1	T650	T650-Y652 PolarHBondContact O-N 3.46Å
653	Y	30.6	Very low	38.8	Very low	149 Å²	149	109 Å²	109	58%	0.584	52%	0.515	S	S	*	.	S	Bend	trans	-38	132.4	173.9	-80.5	-104.5	0	0	0	115.3	M959	Y653-M959 HydrophobicContact CE2-CE 4.35Å; Y653-M959 WeakPolarHBondContact OH-CE 3.24Å
654	L	35.7	Very low	38.8	Very low	174 Å²	174	108 Å²	108	91%	0.911	51%	0.506	S	S	*	.	S	Bend	trans	-164.9	-11.5	142.1	-113.8	150.4	0	0	0	116.6
655	N	36.8	Very low	39.2	Very low	95 Å²	95	112.7 Å²	112.7	51%	0.508	53%	0.529	S	S	.	.			trans	-150.2	101	179.8	-155.1	-32.4	0	0	0	114.7	H657 Y658	N655-H657 VanDerWaalsContact C-N 3.29Å; N655-H657 PolarHBondContact O-N 3.43Å; N655-H657 PolarHBondContact OD1-N 3.39Å; N655-Y658 HydrophobicContact CB-CD2 3.8Å; N655-Y658 HydrophobicContact CB-CE2 4.48Å; N655-Y658 HydrophobicContact CB-CG 4.48Å; N655-Y658 WeakPolarHBondContact O-CB 3.39Å; N655-Y658 PolarHBondContact O-N 2.98Å; N655-Y658 VanDerWaalsContact O-N 3.15Å
656	Y	35.9	Very low	39.6	Very low	168 Å²	168	112.7 Å²	112.7	66%	0.659	52%	0.523	S	S	*	.	H	α-helix	trans	-60	-32.9	-177.6	-75.9	-85.8	0	0	0	114.2	Y658 H659 I660	Y656-Y658 VanDerWaalsContact C-N 3.25Å; Y656-Y658 PolarHBondContact O-N 3.09Å; Y656-H659 WeakPolarHBondContact O-CB 3.41Å; Y656-H659 PolarHBondContact O-N 2.87Å; Y656-I660 PolarHBondContact O-N 3.38Å
657	H	36.6	Very low	39.8	Very low	127 Å²	127	107.7 Å²	107.7	59%	0.588	51%	0.512	S	S	*	.	H	α-helix	trans	-63.7	-33.2	178.9	-168.7	-44.1	0	0	0	111.6	N655 H659 E661	N655-H657 VanDerWaalsContact C-N 3.29Å; N655-H657 PolarHBondContact O-N 3.43Å; N655-H657 PolarHBondContact OD1-N 3.39Å; H657-H659 VanDerWaalsContact C-N 3.33Å; H657-E661 WeakPolarHBondContact O-CG 3.42Å; H657-E661 PolarHBondContact O-N 3.33Å
658	Y	38.9	Very low	40.3	Very low	175 Å²	175	108.3 Å²	108.3	69%	0.686	52%	0.515	S	S	*	.	H	α-helix	trans	-68.8	-34.2	173.9	-79.8	-107.6	0	0	0	111.5	N655 Y656 F662	N655-Y658 HydrophobicContact CB-CD2 3.8Å; N655-Y658 HydrophobicContact CB-CE2 4.48Å; N655-Y658 HydrophobicContact CB-CG 4.48Å; N655-Y658 WeakPolarHBondContact O-CB 3.39Å; N655-Y658 PolarHBondContact O-N 2.98Å; N655-Y658 VanDerWaalsContact O-N 3.15Å; Y656-Y658 VanDerWaalsContact C-N 3.25Å; Y656-Y658 PolarHBondContact O-N 3.09Å; Y658-F662 WeakPolarHBondContact O-CB 3.3Å; Y658-F662 PolarHBondContact O-N 3.13Å
659	H	39.6	Very low	40.7	Very low	96 Å²	96	108.4 Å²	108.4	44%	0.444	51%	0.511	S	S	.	.	H	α-helix	trans	-68.2	-39.8	-179.7	-138.3	-64.1	0	0	0	112.2	Y656 H657 M663	Y656-H659 WeakPolarHBondContact O-CB 3.41Å; Y656-H659 PolarHBondContact O-N 2.87Å; H657-H659 VanDerWaalsContact C-N 3.33Å; H659-M663 VanDerWaalsContact O-CG 3.25Å; H659-M663 WeakPolarHBondContact O-CG 3.24Å; H659-M663 PolarHBondContact O-N 2.98Å
660	I	42.8	Very low	41	Very low	62 Å²	62	103.9 Å²	103.9	32%	0.318	49%	0.487	S	S	.	.	H	α-helix	trans	-67.6	-48.6	176	-66.5	173.3	0	0	0	110.8	Y656 F662 M663 K664	Y656-I660 PolarHBondContact O-N 3.38Å; I660-F662 VanDerWaalsContact C-N 3.33Å; I660-F662 PolarHBondContact O-N 2.82Å; I660-M663 PolarHBondContact O-N 2.95Å; I660-K664 HydrophobicContact CG2-CD 4.46Å; I660-K664 WeakPolarHBondContact O-CG 3.46Å; I660-K664 PolarHBondContact O-N 3.33Å
661	E	45.5	Very low	41.7	Very low	72 Å²	72	105.9 Å²	105.9	34%	0.336	49%	0.494	S	S	.	.	H	α-helix	trans	-66.9	-34	178.7	-66.7	-56.2	122.3	0	0	112.4	H657 K664 L665	H657-E661 WeakPolarHBondContact O-CG 3.42Å; H657-E661 PolarHBondContact O-N 3.33Å; E661-K664 PolarHBondContact O-N 3.46Å; E661-K664 WeakPolarHBondContact OE1-CD 3.34Å; E661-K664 WeakPolarHBondContact OE1-CE 3.46Å; E661-K664 IonicContact OE1-NZ 3.02Å; E661-K664 PolarHBondContact OE1-NZ 2.86Å; E661-L665 WeakPolarHBondContact O-CB 3.29Å; E661-L665 WeakPolarHBondContact O-CD1 3.25Å; E661-L665 VanDerWaalsContact O-CG 3.29Å; E661-L665 WeakPolarHBondContact O-CG 3.49Å; E661-L665 PolarHBondContact O-N 3.34Å
662	F	45.1	Very low	42.8	Very low	79 Å²	79	108.6 Å²	108.6	35%	0.346	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-44.3	171.4	-178.1	-92.1	0	0	0	111.6	L647 Y658 I660 L665 W666	L647-F662 HydrophobicContact CD2-CZ 4.39Å; Y658-F662 WeakPolarHBondContact O-CB 3.3Å; Y658-F662 PolarHBondContact O-N 3.13Å; I660-F662 VanDerWaalsContact C-N 3.33Å; I660-F662 PolarHBondContact O-N 2.82Å; F662-L665 PolarHBondContact O-N 2.96Å; F662-W666 VanDerWaalsContact O-CB 3.27Å; F662-W666 WeakPolarHBondContact O-CB 3.22Å; F662-W666 PolarHBondContact O-N 3.22Å
663	M	40.9	Very low	43.4	Very low	69 Å²	69	101.6 Å²	101.6	34%	0.34	47%	0.473	S	S	.	.	H	α-helix	trans	-66.3	-38.2	177.1	-70.7	-63.1	170.4	0	0	112.4	H659 I660 W666 S667	H659-M663 VanDerWaalsContact O-CG 3.25Å; H659-M663 WeakPolarHBondContact O-CG 3.24Å; H659-M663 PolarHBondContact O-N 2.98Å; I660-M663 PolarHBondContact O-N 2.95Å; M663-W666 PolarHBondContact O-N 3.22Å; M663-S667 PolarHBondContact O-N 2.66Å; M663-S667 PolarHBondContact O-OG 3.48Å
664	K	45.4	Very low	44.2	Very low	88 Å²	88	98.8 Å²	98.8	38%	0.383	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-42.6	171.1	-70.4	175.4	-173.8	169.6	0	112.4	I660 E661 S667 N668	I660-K664 HydrophobicContact CG2-CD 4.46Å; I660-K664 WeakPolarHBondContact O-CG 3.46Å; I660-K664 PolarHBondContact O-N 3.33Å; E661-K664 PolarHBondContact O-N 3.46Å; E661-K664 WeakPolarHBondContact OE1-CD 3.34Å; E661-K664 WeakPolarHBondContact OE1-CE 3.46Å; E661-K664 IonicContact OE1-NZ 3.02Å; E661-K664 PolarHBondContact OE1-NZ 2.86Å; K664-S667 PolarHBondContact O-OG 3.4Å; K664-N668 VanDerWaalsContact O-CB 3.28Å; K664-N668 WeakPolarHBondContact O-CB 3.49Å; K664-N668 PolarHBondContact O-N 2.85Å; K664-N668 PolarHBondContact O-ND2 2.92Å
665	L	48.3	Very low	45.2	Very low	124 Å²	124	93.6 Å²	93.6	65%	0.649	44%	0.442	S	S	*	.	H	α-helix	trans	-66.4	-38.2	176.1	-78.3	164.2	0	0	0	111.7	E661 F662 K669	E661-L665 WeakPolarHBondContact O-CB 3.29Å; E661-L665 WeakPolarHBondContact O-CD1 3.25Å; E661-L665 VanDerWaalsContact O-CG 3.29Å; E661-L665 WeakPolarHBondContact O-CG 3.49Å; E661-L665 PolarHBondContact O-N 3.34Å; F662-L665 PolarHBondContact O-N 2.96Å; L665-K669 WeakPolarHBondContact O-CB 3.35Å; L665-K669 PolarHBondContact O-N 2.7Å
666	W	46.4	Very low	46.2	Very low	91 Å²	91	93.6 Å²	93.6	35%	0.345	44%	0.435	S	S	.	.	H	α-helix	trans	-69.8	-49.3	179.3	-177.7	86.7	0	0	0	112	F662 M663 N668 K669 L670	F662-W666 VanDerWaalsContact O-CB 3.27Å; F662-W666 WeakPolarHBondContact O-CB 3.22Å; F662-W666 PolarHBondContact O-N 3.22Å; M663-W666 PolarHBondContact O-N 3.22Å; W666-N668 VanDerWaalsContact C-N 3.34Å; W666-N668 PolarHBondContact O-N 3.47Å; W666-K669 WeakPolarHBondContact O-CB 3.45Å; W666-K669 PolarHBondContact O-N 2.7Å; W666-L670 HydrophobicContact CH2-CD2 3.87Å; W666-L670 HydrophobicContact CZ2-CD1 4.3Å; W666-L670 HydrophobicContact CZ2-CD2 4.34Å; W666-L670 HydrophobicContact CZ3-CD2 4.12Å; W666-L670 WeakPolarHBondContact O-CB 3.43Å; W666-L670 PolarHBondContact O-N 2.96Å
667	S	41.8	Very low	47.1	Very low	57 Å²	57	87.5 Å²	87.5	40%	0.399	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-41.9	177.2	64.2	0	0	0	0	111.8	M663 K664 K669 L670 L671	M663-S667 PolarHBondContact O-N 2.66Å; M663-S667 PolarHBondContact O-OG 3.48Å; K664-S667 PolarHBondContact O-OG 3.4Å; S667-K669 VanDerWaalsContact C-N 3.28Å; S667-K669 PolarHBondContact O-N 3.39Å; S667-L670 PolarHBondContact O-N 2.98Å; S667-L671 WeakPolarHBondContact O-CB 3.49Å; S667-L671 PolarHBondContact O-N 3.22Å
668	N	48.9	Very low	48.2	Very low	83 Å²	83	85 Å²	85	44%	0.444	41%	0.405	S	S	.	.	H	α-helix	trans	-64.3	-28.4	173.4	-88.6	-88.3	0	0	0	113.7	K664 W666 K672	K664-N668 VanDerWaalsContact O-CB 3.28Å; K664-N668 WeakPolarHBondContact O-CB 3.49Å; K664-N668 PolarHBondContact O-N 2.85Å; K664-N668 PolarHBondContact O-ND2 2.92Å; W666-N668 VanDerWaalsContact C-N 3.34Å; W666-N668 PolarHBondContact O-N 3.47Å; N668-K672 WeakPolarHBondContact O-CB 3.44Å; N668-K672 VanDerWaalsContact O-CD 3.22Å; N668-K672 WeakPolarHBondContact O-CD 3.47Å; N668-K672 VanDerWaalsContact O-CG 3.23Å; N668-K672 WeakPolarHBondContact O-CG 3.42Å
669	K	49.4	Very low	49.4	Very low	100 Å²	100	81.1 Å²	81.1	44%	0.435	40%	0.395	S	S	.	.	H	α-helix	trans	-77.2	-47.3	174.3	-173.6	-168.3	174.1	-163.5	0	110.5	L665 W666 S667 K672 Q673	L665-K669 WeakPolarHBondContact O-CB 3.35Å; L665-K669 PolarHBondContact O-N 2.7Å; W666-K669 WeakPolarHBondContact O-CB 3.45Å; W666-K669 PolarHBondContact O-N 2.7Å; S667-K669 VanDerWaalsContact C-N 3.28Å; S667-K669 PolarHBondContact O-N 3.39Å; K669-K672 PolarHBondContact O-N 3.33Å; K669-Q673 PolarHBondContact O-N 3.16Å
670	L	45.5	Very low	50.4	Low	42 Å²	42	77.8 Å²	77.8	22%	0.22	38%	0.38	C	S	.	.	H	α-helix	trans	-58.2	-52.8	180	-169.3	79.9	0	0	0	110.9	W666 S667 K672 Q673 M674	W666-L670 HydrophobicContact CH2-CD2 3.87Å; W666-L670 HydrophobicContact CZ2-CD1 4.3Å; W666-L670 HydrophobicContact CZ2-CD2 4.34Å; W666-L670 HydrophobicContact CZ3-CD2 4.12Å; W666-L670 WeakPolarHBondContact O-CB 3.43Å; W666-L670 PolarHBondContact O-N 2.96Å; S667-L670 PolarHBondContact O-N 2.98Å; L670-K672 VanDerWaalsContact C-N 3.3Å; L670-K672 PolarHBondContact O-N 2.86Å; L670-Q673 PolarHBondContact O-N 3.12Å; L670-Q673 VanDerWaalsContact O-N 3.07Å; L670-M674 HydrophobicContact CD2-SD 4.41Å; L670-M674 HydrophobicContact CG-SD 4.23Å; L670-M674 WeakPolarHBondContact O-CG 3.4Å; L670-M674 PolarHBondContact O-N 3.43Å
671	L	51.7	Low	51.4	Low	110 Å²	110	76.5 Å²	76.5	58%	0.576	37%	0.373	S	S	*	.	H	α-helix	trans	-57.5	-43	179.1	-175.5	62.8	0	0	0	111.4	S667 Q673 M674 T675	S667-L671 WeakPolarHBondContact O-CB 3.49Å; S667-L671 PolarHBondContact O-N 3.22Å; L671-Q673 PolarHBondContact O-N 3.45Å; L671-M674 PolarHBondContact O-N 2.88Å; L671-T675 PolarHBondContact O-N 3.4Å; L671-T675 PolarHBondContact O-OG1 3.2Å
672	K	57.2	Low	52.3	Low	140 Å²	140	77.1 Å²	77.1	61%	0.609	38%	0.376	S	S	*	.	H	α-helix	trans	-67.4	-32.1	177.5	-73.3	172	-171	158.6	0	113.4	N668 K669 L670 Y676	N668-K672 WeakPolarHBondContact O-CB 3.44Å; N668-K672 VanDerWaalsContact O-CD 3.22Å; N668-K672 WeakPolarHBondContact O-CD 3.47Å; N668-K672 VanDerWaalsContact O-CG 3.23Å; N668-K672 WeakPolarHBondContact O-CG 3.42Å; K669-K672 PolarHBondContact O-N 3.33Å; L670-K672 VanDerWaalsContact C-N 3.3Å; L670-K672 PolarHBondContact O-N 2.86Å; K672-Y676 VanDerWaalsContact O-CB 3.31Å; K672-Y676 WeakPolarHBondContact O-CB 3.26Å; K672-Y676 PolarHBondContact O-N 3.2Å; K672-Y676 VanDerWaalsContact O-N 3.15Å
673	Q	48.6	Very low	53.3	Low	33 Å²	33	74.4 Å²	74.4	15%	0.154	37%	0.367	C	S	.	.	H	α-helix	trans	-71.8	-42.5	171.9	-71.4	-174.7	-88.8	0	0	111.1	K669 L670 L671 Y676 I677	K669-Q673 PolarHBondContact O-N 3.16Å; L670-Q673 PolarHBondContact O-N 3.12Å; L670-Q673 VanDerWaalsContact O-N 3.07Å; L671-Q673 PolarHBondContact O-N 3.45Å; Q673-Y676 PolarHBondContact O-N 2.9Å; Q673-I677 WeakPolarHBondContact O-CD1 3.49Å; Q673-I677 VanDerWaalsContact O-CG1 3.27Å; Q673-I677 WeakPolarHBondContact O-CG1 3.3Å; Q673-I677 PolarHBondContact O-N 3.42Å
674	M	47.1	Very low	54.5	Low	89 Å²	89	71.3 Å²	71.3	44%	0.438	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-48.8	175.1	-68.7	176	69.4	0	0	112.1	L670 L671 Y676 I677 L678	L670-M674 HydrophobicContact CD2-SD 4.41Å; L670-M674 HydrophobicContact CG-SD 4.23Å; L670-M674 WeakPolarHBondContact O-CG 3.4Å; L670-M674 PolarHBondContact O-N 3.43Å; L671-M674 PolarHBondContact O-N 2.88Å; M674-Y676 VanDerWaalsContact C-N 3.29Å; M674-Y676 PolarHBondContact O-N 2.95Å; M674-I677 PolarHBondContact O-N 3.32Å; M674-L678 WeakPolarHBondContact O-CB 3.32Å; M674-L678 WeakPolarHBondContact O-CG 3.46Å; M674-L678 PolarHBondContact O-N 2.85Å
675	T	56.6	Low	55.5	Low	65 Å²	65	68.3 Å²	68.3	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-37.3	175.8	-52	0	0	0	0	112.1	L671 N679	L671-T675 PolarHBondContact O-N 3.4Å; L671-T675 PolarHBondContact O-OG1 3.2Å; T675-N679 VanDerWaalsContact O-CB 3.27Å; T675-N679 WeakPolarHBondContact O-CB 3.41Å; T675-N679 PolarHBondContact O-N 3.07Å; T675-N679 PolarHBondContact O-ND2 3.28Å
676	Y	58.1	Low	56.4	Low	95 Å²	95	66.2 Å²	66.2	37%	0.373	33%	0.326	S	S	.	.	H	α-helix	trans	-66.1	-42.2	175.6	177	-103.3	0	0	0	112.5	T633 K672 Q673 M674 K680	T633-Y676 HydrophobicContact CG2-CD1 4.47Å; T633-Y676 HydrophobicContact CG2-CE1 4.48Å; K672-Y676 VanDerWaalsContact O-CB 3.31Å; K672-Y676 WeakPolarHBondContact O-CB 3.26Å; K672-Y676 PolarHBondContact O-N 3.2Å; K672-Y676 VanDerWaalsContact O-N 3.15Å; Q673-Y676 PolarHBondContact O-N 2.9Å; M674-Y676 VanDerWaalsContact C-N 3.29Å; M674-Y676 PolarHBondContact O-N 2.95Å; Y676-K680 HydrophobicContact CE1-CD 4.31Å; Y676-K680 WeakPolarHBondContact O-CB 3.07Å; Y676-K680 PolarHBondContact O-N 3.34Å
677	I	54.2	Low	57.2	Low	41 Å²	41	64.1 Å²	64.1	21%	0.21	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-49.7	177	-68	162	0	0	0	110.5	T633 Q673 M674 N679 K680 L681	T633-I677 HydrophobicContact CG2-CD1 3.97Å; T633-I677 HydrophobicContact CG2-CG1 3.7Å; Q673-I677 WeakPolarHBondContact O-CD1 3.49Å; Q673-I677 VanDerWaalsContact O-CG1 3.27Å; Q673-I677 WeakPolarHBondContact O-CG1 3.3Å; Q673-I677 PolarHBondContact O-N 3.42Å; M674-I677 PolarHBondContact O-N 3.32Å; I677-N679 PolarHBondContact O-N 3.46Å; I677-K680 WeakPolarHBondContact O-CA 3.47Å; I677-K680 WeakPolarHBondContact O-CB 3.44Å; I677-K680 PolarHBondContact O-N 2.94Å; I677-K680 VanDerWaalsContact O-N 3.09Å; I677-L681 HydrophobicContact CG2-CD1 3.87Å; I677-L681 HydrophobicContact CG2-CG 4.37Å; I677-L681 WeakPolarHBondContact O-CG 3.46Å; I677-L681 PolarHBondContact O-N 3.39Å
678	L	59.7	Low	58.4	Low	75 Å²	75	62 Å²	62	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-59.8	-46	178.7	-71.5	168.9	0	0	0	111.9	M674 K680 L681 H682 Y742	M674-L678 WeakPolarHBondContact O-CB 3.32Å; M674-L678 WeakPolarHBondContact O-CG 3.46Å; M674-L678 PolarHBondContact O-N 2.85Å; L678-K680 VanDerWaalsContact C-N 3.27Å; L678-K680 PolarHBondContact O-N 3.39Å; L678-L681 PolarHBondContact O-N 3.25Å; L678-H682 PolarHBondContact O-N 3.22Å; L678-Y742 HydrophobicContact CD2-CE1 4.18Å
679	N	64.9	Low	59.3	Low	92 Å²	92	60.4 Å²	60.4	49%	0.492	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-37	175.1	-73.3	-10.9	0	0	0	111.9	T675 I677 S683	T675-N679 VanDerWaalsContact O-CB 3.27Å; T675-N679 WeakPolarHBondContact O-CB 3.41Å; T675-N679 PolarHBondContact O-N 3.07Å; T675-N679 PolarHBondContact O-ND2 3.28Å; I677-N679 PolarHBondContact O-N 3.46Å; N679-S683 PolarHBondContact O-N 3.37Å; N679-S683 PolarHBondContact O-OG 3.37Å
680	K	61.4	Low	60	Low	26 Å²	26	60.8 Å²	60.8	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-45.2	174.3	-91.9	-151.3	152.3	-147.3	0	112.6	F626 D629 Y676 I677 L678 H682 S683 F684	F626-K680 HydrophobicContact CE1-CB 4.01Å; F626-K680 HydrophobicContact CE1-CD 4.05Å; F626-K680 HydrophobicContact CE1-CG 4.25Å; F626-K680 WeakPolarHBondContact CE1-O 3.48Å; F626-K680 HydrophobicContact CE2-CD 3.94Å; F626-K680 VanDerWaalsContact CE2-CE 3.46Å; F626-K680 HydrophobicContact CE2-CG 4.12Å; F626-K680 HydrophobicContact CZ-CB 3.65Å; F626-K680 HydrophobicContact CZ-CD 3.58Å; F626-K680 HydrophobicContact CZ-CG 3.53Å; F626-K680 VanDerWaalsContact CZ-O 3.29Å; F626-K680 WeakPolarHBondContact CZ-O 3.23Å; D629-K680 IonicContact OD2-NZ 3.8Å; D629-K680 PolarHBondContact OD2-NZ 2.82Å; Y676-K680 HydrophobicContact CE1-CD 4.31Å; Y676-K680 WeakPolarHBondContact O-CB 3.07Å; Y676-K680 PolarHBondContact O-N 3.34Å; I677-K680 WeakPolarHBondContact O-CA 3.47Å; I677-K680 WeakPolarHBondContact O-CB 3.44Å; I677-K680 PolarHBondContact O-N 2.94Å; I677-K680 VanDerWaalsContact O-N 3.09Å; L678-K680 VanDerWaalsContact C-N 3.27Å; L678-K680 PolarHBondContact O-N 3.39Å; K680-H682 VanDerWaalsContact C-N 3.32Å; K680-H682 PolarHBondContact O-N 3.44Å; K680-S683 PolarHBondContact O-N 3.46Å; K680-F684 WeakPolarHBondContact O-CB 3.44Å; K680-F684 PolarHBondContact O-N 2.86Å
681	L	62.3	Low	60.6	Low	35 Å²	35	62.2 Å²	62.2	18%	0.183	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-39.8	178.6	-68	168.8	0	0	0	111.5	I630 I677 L678 F684 K685 I739	I630-L681 HydrophobicContact CD1-CD2 3.98Å; I677-L681 HydrophobicContact CG2-CD1 3.87Å; I677-L681 HydrophobicContact CG2-CG 4.37Å; I677-L681 WeakPolarHBondContact O-CG 3.46Å; I677-L681 PolarHBondContact O-N 3.39Å; L678-L681 PolarHBondContact O-N 3.25Å; L681-F684 WeakPolarHBondContact O-CB 3.34Å; L681-F684 PolarHBondContact O-N 2.86Å; L681-K685 PolarHBondContact O-N 3.39Å; L681-I739 HydrophobicContact CB-CD1 4.13Å; L681-I739 HydrophobicContact CB-CG1 4.5Å; L681-I739 HydrophobicContact CD2-CD1 4.08Å
682	H	64.2	Low	60.9	Low	85 Å²	85	57.8 Å²	57.8	39%	0.394	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-44.7	174.5	-175	-91.6	0	0	0	112.2	L678 K680 F684 K685 Q686 E743	L678-H682 PolarHBondContact O-N 3.22Å; K680-H682 VanDerWaalsContact C-N 3.32Å; K680-H682 PolarHBondContact O-N 3.44Å; H682-F684 VanDerWaalsContact C-N 3.3Å; H682-F684 PolarHBondContact O-N 2.92Å; H682-K685 PolarHBondContact O-N 2.82Å; H682-Q686 VanDerWaalsContact CE1-CD 3.5Å; H682-Q686 PolarHBondContact CE1-NE2 3.28Å; H682-Q686 WeakPolarHBondContact O-CG 3.37Å; H682-Q686 PolarHBondContact O-N 3.48Å; H682-E743 IonicContact CD2-OE1 3.62Å
683	S	67.2	Low	60.9	Low	23 Å²	23	56 Å²	56	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-35.9	172.7	-71.5	0	0	0	0	112.7	N679 K680 Q686 I687	N679-S683 PolarHBondContact O-N 3.37Å; N679-S683 PolarHBondContact O-OG 3.37Å; K680-S683 PolarHBondContact O-N 3.46Å; S683-Q686 PolarHBondContact O-N 2.95Å; S683-I687 VanDerWaalsContact O-CG1 3.28Å; S683-I687 WeakPolarHBondContact O-CG1 3.41Å; S683-I687 PolarHBondContact O-N 3.04Å
684	F	66	Low	61	Low	4 Å²	4	60.3 Å²	60.3	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-48.9	174.9	-179.7	-100.4	0	0	0	111.8	I623 F626 M627 K680 L681 H682 Q686 I687 W688 I732 L735 I736	I623-F684 HydrophobicContact CG2-CE2 4.22Å; F626-F684 HydrophobicContact CD1-CB 4.3Å; F626-F684 AromaticContact CD1-CD2 3.94Å; F626-F684 HydrophobicContact CD1-CD2 3.94Å; F626-F684 HydrophobicContact CE1-CB 3.83Å; F626-F684 HydrophobicContact CE1-CD2 4.33Å; M627-F684 HydrophobicContact CG-CE2 4.15Å; K680-F684 WeakPolarHBondContact O-CB 3.44Å; K680-F684 PolarHBondContact O-N 2.86Å; L681-F684 WeakPolarHBondContact O-CB 3.34Å; L681-F684 PolarHBondContact O-N 2.86Å; H682-F684 VanDerWaalsContact C-N 3.3Å; H682-F684 PolarHBondContact O-N 2.92Å; F684-Q686 VanDerWaalsContact C-N 3.31Å; F684-Q686 PolarHBondContact O-N 3.47Å; F684-I687 PolarHBondContact O-N 2.88Å; F684-W688 PolarHBondContact O-N 3.28Å; F684-I732 HydrophobicContact CE1-CG2 4.11Å; F684-I732 HydrophobicContact CZ-CG2 3.79Å; F684-L735 HydrophobicContact CE1-CD2 4.14Å; F684-I736 HydrophobicContact CD1-CD1 4.42Å; F684-I736 HydrophobicContact CD1-CG1 4.28Å; F684-I736 HydrophobicContact CE1-CD1 3.8Å; F684-I736 HydrophobicContact CE1-CG1 3.81Å
685	K	66	Low	60.9	Low	25 Å²	25	60.7 Å²	60.7	11%	0.109	30%	0.296	C	S	.	.	H	α-helix	trans	-58.9	-40.9	174.8	179.8	177.6	173.8	-175.8	0	112.1	L681 H682 W688 N689 I739 E740 E743	L681-K685 PolarHBondContact O-N 3.39Å; H682-K685 PolarHBondContact O-N 2.82Å; K685-W688 PolarHBondContact O-N 2.88Å; K685-N689 VanDerWaalsContact O-CB 3.28Å; K685-N689 WeakPolarHBondContact O-CB 3.25Å; K685-N689 VanDerWaalsContact O-CG 3.24Å; K685-N689 PolarHBondContact O-N 3.18Å; K685-I739 HydrophobicContact CB-CG2 4.42Å; K685-I739 HydrophobicContact CD-CG2 3.77Å; K685-E740 HydrophobicContact CD-CG 4.29Å; K685-E740 VanDerWaalsContact CE-CG 3.43Å; K685-E740 WeakPolarHBondContact CE-OE1 3.36Å; K685-E740 VanDerWaalsContact NZ-CG 3.25Å; K685-E743 WeakPolarHBondContact CD-OE1 3.38Å; K685-E743 IonicContact NZ-OE1 2.66Å; K685-E743 PolarHBondContact NZ-OE1 2.96Å; K685-E743 IonicContact NZ-OE2 2.7Å; K685-E743 PolarHBondContact NZ-OE2 3.41Å
686	Q	67.8	Low	60.4	Low	80 Å²	80	61 Å²	61	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-46	175.1	-74.3	-175	-41.5	0	0	112.2	H682 S683 F684 Q690	H682-Q686 VanDerWaalsContact CE1-CD 3.5Å; H682-Q686 PolarHBondContact CE1-NE2 3.28Å; H682-Q686 WeakPolarHBondContact O-CG 3.37Å; H682-Q686 PolarHBondContact O-N 3.48Å; S683-Q686 PolarHBondContact O-N 2.95Å; F684-Q686 VanDerWaalsContact C-N 3.31Å; F684-Q686 PolarHBondContact O-N 3.47Å; Q686-Q690 VanDerWaalsContact O-CB 3.25Å; Q686-Q690 WeakPolarHBondContact O-CB 3.26Å; Q686-Q690 PolarHBondContact O-N 3.39Å
687	I	63.5	Low	59.6	Low	46 Å²	46	59.6 Å²	59.6	24%	0.236	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-48.2	176.7	-69.9	165.7	0	0	0	110.5	I623 S683 F684 N689 Q690 Y691	I623-I687 HydrophobicContact CD1-CG2 4.06Å; I623-I687 HydrophobicContact CG1-CG2 4.06Å; S683-I687 VanDerWaalsContact O-CG1 3.28Å; S683-I687 WeakPolarHBondContact O-CG1 3.41Å; S683-I687 PolarHBondContact O-N 3.04Å; F684-I687 PolarHBondContact O-N 2.88Å; I687-N689 PolarHBondContact O-N 3.02Å; I687-Q690 PolarHBondContact O-N 2.99Å; I687-Y691 HydrophobicContact CG2-CD2 3.91Å; I687-Y691 HydrophobicContact CG2-CE2 4.36Å; I687-Y691 VanDerWaalsContact O-CD2 3.25Å; I687-Y691 WeakPolarHBondContact O-CD2 3.25Å; I687-Y691 PolarHBondContact O-N 2.73Å
688	W	65.7	Low	59	Low	14 Å²	14	64.5 Å²	64.5	5%	0.053	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-46.7	178.5	-175.9	-91	0	0	0	112.7	F684 K685 Q690 Y691 F692 K693 L703 I732 I736	F684-W688 PolarHBondContact O-N 3.28Å; K685-W688 PolarHBondContact O-N 2.88Å; W688-Q690 VanDerWaalsContact C-N 3.3Å; W688-Q690 PolarHBondContact O-N 3.42Å; W688-Y691 PolarHBondContact O-N 3.25Å; W688-F692 HydrophobicContact CD2-CB 4.21Å; W688-F692 HydrophobicContact CE3-CB 4.49Å; W688-F692 HydrophobicContact CE3-CD2 4.35Å; W688-F692 WeakPolarHBondContact O-CA 3.44Å; W688-F692 PolarHBondContact O-N 2.91Å; W688-K693 PolarHBondContact O-N 2.92Å; W688-K693 VanDerWaalsContact O-N 3.08Å; W688-L703 HydrophobicContact CE3-CD1 4.31Å; W688-L703 HydrophobicContact CH2-CD1 3.55Å; W688-L703 HydrophobicContact CH2-CD2 4.29Å; W688-L703 HydrophobicContact CZ3-CD1 3.36Å; W688-I732 HydrophobicContact CD2-CG2 4.39Å; W688-I732 HydrophobicContact CE3-CG2 3.78Å; W688-I732 HydrophobicContact CH2-CB 4.15Å; W688-I732 HydrophobicContact CH2-CG2 3.52Å; W688-I732 HydrophobicContact CZ2-CG2 4.16Å; W688-I732 HydrophobicContact CZ3-CB 4.26Å; W688-I732 HydrophobicContact CZ3-CD1 4.32Å; W688-I732 HydrophobicContact CZ3-CG2 3.32Å; W688-I736 HydrophobicContact CB-CD1 3.65Å; W688-I736 HydrophobicContact CD2-CD1 3.32Å; W688-I736 HydrophobicContact CE3-CD1 3.99Å; W688-I736 HydrophobicContact CG-CD1 3.16Å; W688-I736 HydrophobicContact CZ2-CD1 4.37Å
689	N	67.6	Low	58	Low	48 Å²	48	65.8 Å²	65.8	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-34.4	179.3	-71.2	-4.5	0	0	0	111.8	K685 I687 K693 N694	K685-N689 VanDerWaalsContact O-CB 3.28Å; K685-N689 WeakPolarHBondContact O-CB 3.25Å; K685-N689 VanDerWaalsContact O-CG 3.24Å; K685-N689 PolarHBondContact O-N 3.18Å; I687-N689 PolarHBondContact O-N 3.02Å; N689-K693 WeakPolarHBondContact OD1-CD 3.26Å; N689-N694 PolarHBondContact O-ND2 3.3Å
690	Q	64.4	Low	56.9	Low	108 Å²	108	67.6 Å²	67.6	51%	0.505	37%	0.371	S	S	.	.	H	α-helix	trans	-69.3	-47.1	177.1	-175.3	173.2	16.8	0	0	112.6	Q686 I687 W688 N694	Q686-Q690 VanDerWaalsContact O-CB 3.25Å; Q686-Q690 WeakPolarHBondContact O-CB 3.26Å; Q686-Q690 PolarHBondContact O-N 3.39Å; I687-Q690 PolarHBondContact O-N 2.99Å; W688-Q690 VanDerWaalsContact C-N 3.3Å; W688-Q690 PolarHBondContact O-N 3.42Å; Q690-N694 PolarHBondContact O-ND2 3.12Å
691	Y	57.8	Low	56.7	Low	73 Å²	73	68.8 Å²	68.8	29%	0.286	38%	0.378	S	S	.	.	H	α-helix	trans	-99.9	-27.8	-168.9	-65.7	-75.9	0	0	0	115.1	H619 I687 W688 M695	H619-Y691 AromaticContact CD2-CD1 3.93Å; H619-Y691 AromaticContact CD2-CE1 3.92Å; H619-Y691 AromaticContact CE1-CD1 3.95Å; H619-Y691 AromaticContact CE1-CE1 3.28Å; H619-Y691 WeakPolarHBondContact CE1-CE1 3.09Å; H619-Y691 AromaticContact CE1-CZ 3.36Å; H619-Y691 AromaticContact ND1-CE1 3.85Å; H619-Y691 AromaticContact ND1-CZ 3.84Å; H619-Y691 AromaticContact NE2-CD1 3.83Å; H619-Y691 AromaticContact NE2-CE1 3.33Å; H619-Y691 VanDerWaalsContact NE2-CE1 3.33Å; H619-Y691 WeakPolarHBondContact NE2-CE1 3.35Å; H619-Y691 AromaticContact NE2-CZ 3.91Å; I687-Y691 HydrophobicContact CG2-CD2 3.91Å; I687-Y691 HydrophobicContact CG2-CE2 4.36Å; I687-Y691 VanDerWaalsContact O-CD2 3.25Å; I687-Y691 WeakPolarHBondContact O-CD2 3.25Å; I687-Y691 PolarHBondContact O-N 2.73Å; W688-Y691 PolarHBondContact O-N 3.25Å; Y691-M695 WeakPolarHBondContact O-CG 3.37Å
692	F	58.9	Low	56	Low	17 Å²	17	69 Å²	69	8%	0.075	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-42.9	-171.6	-68.3	-77.1	0	0	0	114	I623 W688 N694 M695 A696 L703 L706	I623-F692 HydrophobicContact CD1-CD2 4.1Å; I623-F692 HydrophobicContact CD1-CE2 3.48Å; I623-F692 VanDerWaalsContact CD1-CE2 3.48Å; I623-F692 HydrophobicContact CD1-CZ 4.42Å; W688-F692 HydrophobicContact CD2-CB 4.21Å; W688-F692 HydrophobicContact CE3-CB 4.49Å; W688-F692 HydrophobicContact CE3-CD2 4.35Å; W688-F692 WeakPolarHBondContact O-CA 3.44Å; W688-F692 PolarHBondContact O-N 2.91Å; F692-N694 PolarHBondContact O-N 3Å; F692-N694 VanDerWaalsContact O-N 3.14Å; F692-M695 PolarHBondContact O-N 3.32Å; F692-A696 PolarHBondContact O-N 3.06Å; F692-L703 HydrophobicContact CD1-CB 3.89Å; F692-L703 HydrophobicContact CD1-CD1 3.56Å; F692-L703 HydrophobicContact CD1-CG 4.26Å; F692-L703 HydrophobicContact CD2-CD1 4.16Å; F692-L703 HydrophobicContact CE1-CB 4.04Å; F692-L703 HydrophobicContact CE1-CD1 3.68Å; F692-L703 HydrophobicContact CE1-CG 4.2Å; F692-L703 HydrophobicContact CE2-CD1 4.28Å; F692-L703 HydrophobicContact CG-CD1 3.82Å; F692-L703 HydrophobicContact CZ-CD1 4.04Å; F692-L706 HydrophobicContact CE1-CD1 4.19Å; F692-L706 HydrophobicContact CZ-CD1 4.45Å
693	K	57.2	Low	55.5	Low	101 Å²	101	65.2 Å²	65.2	44%	0.439	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.7	176.8	-148.6	160.7	-176.5	162.7	0	112.5	W688 N689 E740	W688-K693 PolarHBondContact O-N 2.92Å; W688-K693 VanDerWaalsContact O-N 3.08Å; N689-K693 WeakPolarHBondContact OD1-CD 3.26Å; K693-E740 IonicContact NZ-OE1 2.64Å; K693-E740 PolarHBondContact NZ-OE1 3.21Å; K693-E740 IonicContact NZ-OE2 3.45Å; K693-E740 PolarHBondContact NZ-OE2 3.45Å
694	N	51	Low	55	Low	124 Å²	124	66.9 Å²	66.9	66%	0.663	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.2	169.6	-68.4	-36.8	0	0	0	114.6	N689 Q690 F692	N689-N694 PolarHBondContact O-ND2 3.3Å; Q690-N694 PolarHBondContact O-ND2 3.12Å; F692-N694 PolarHBondContact O-N 3Å; F692-N694 VanDerWaalsContact O-N 3.14Å
695	M	45.6	Very low	54.4	Low	97 Å²	97	71.4 Å²	71.4	48%	0.478	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-24.3	178.6	-80.6	-169	179.9	0	0	113.1	Y691 F692 G697 P702	Y691-M695 WeakPolarHBondContact O-CG 3.37Å; F692-M695 PolarHBondContact O-N 3.32Å; M695-G697 PolarHBondContact O-N 2.92Å; M695-P702 HydrophobicContact CB-CG 4.16Å; M695-P702 HydrophobicContact SD-CB 4.08Å; M695-P702 HydrophobicContact SD-CG 4.26Å
696	A	46.3	Very low	53.8	Low	73 Å²	73	71.3 Å²	71.3	60%	0.603	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	5.5	176.4	0	0	0	0	0	114.9	F692 N698	F692-A696 PolarHBondContact O-N 3.06Å; A696-N698 VanDerWaalsContact C-N 3.29Å; A696-N698 PolarHBondContact O-N 3.2Å
697	G	41	Very low	53.2	Low	64 Å²	64	67.6 Å²	67.6	66%	0.66	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.7	-180	0	0	0	0	0	115.6	M695	M695-G697 PolarHBondContact O-N 2.92Å
698	N	40.3	Very low	52.8	Low	144 Å²	144	70.4 Å²	70.4	77%	0.77	39%	0.386	S	S	*	.	S	Bend	trans	-143.7	154.7	170.2	-85.9	-61.4	0	0	0	110.5	A696	A696-N698 VanDerWaalsContact C-N 3.29Å; A696-N698 PolarHBondContact O-N 3.2Å
699	S	39.5	Very low	52.4	Low	102 Å²	102	76.7 Å²	76.7	71%	0.713	41%	0.41	S	S	*	.	S	Bend	trans	-57.9	149.7	-176.5	53.4	0	0	0	0	114.3
700	N	41.4	Very low	51.6	Low	130 Å²	130	79.3 Å²	79.3	70%	0.695	42%	0.416	S	S	*	.	S	Bend	trans	83.9	93.6	-175	-50.1	-33.2	0	0	0	112.7	P702 L705	N700-P702 WeakPolarHBondContact O-CD 3.46Å; N700-L705 HydrophobicContact CB-CD1 4.47Å
701	D	57.2	Low	51	Low	51 Å²	51	76.7 Å²	76.7	27%	0.273	40%	0.404	S	S	.	.			trans	-61	113.4	-172.5	-165.9	-52	0	0	0	112.3	L703 L704 L705 Y729	D701-L703 PolarHBondContact O-N 3.15Å; D701-L703 PolarHBondContact OD1-N 2.64Å; D701-L704 HydrophobicContact CB-CB 4.01Å; D701-L704 PolarHBondContact O-N 3.26Å; D701-L704 PolarHBondContact OD1-N 3.45Å; D701-L705 PolarHBondContact O-N 3.12Å; D701-L705 VanDerWaalsContact O-N 3.14Å; D701-Y729 VanDerWaalsContact OD2-CE2 3.27Å; D701-Y729 WeakPolarHBondContact OD2-CE2 3.3Å; D701-Y729 VanDerWaalsContact OD2-CZ 3.26Å; D701-Y729 PolarHBondContact OD2-OH 3.43Å
702	P	48.9	Very low	50.4	Low	40 Å²	40	79 Å²	79	26%	0.26	42%	0.417	S	S	.	.	H	α-helix	trans	-68.5	-20.2	-175.7	-25.3	38.9	0	0	0	114	M695 N700 L706	M695-P702 HydrophobicContact CB-CG 4.16Å; M695-P702 HydrophobicContact SD-CB 4.08Å; M695-P702 HydrophobicContact SD-CG 4.26Å; N700-P702 WeakPolarHBondContact O-CD 3.46Å; P702-L706 WeakPolarHBondContact O-CD1 3.29Å; P702-L706 VanDerWaalsContact O-CG 3.24Å; P702-L706 WeakPolarHBondContact O-CG 3.44Å; P702-L706 PolarHBondContact O-N 3.2Å; P702-L706 VanDerWaalsContact O-N 3.15Å
703	L	52.2	Low	49.5	Very low	5 Å²	5	81.2 Å²	81.2	3%	0.026	45%	0.445	C	S	.	.	H	α-helix	trans	-81.3	-38.2	177.5	-165.6	141.8	0	0	0	110.9	W688 F692 D701 L705 L706 L707 Y729	W688-L703 HydrophobicContact CE3-CD1 4.31Å; W688-L703 HydrophobicContact CH2-CD1 3.55Å; W688-L703 HydrophobicContact CH2-CD2 4.29Å; W688-L703 HydrophobicContact CZ3-CD1 3.36Å; F692-L703 HydrophobicContact CD1-CB 3.89Å; F692-L703 HydrophobicContact CD1-CD1 3.56Å; F692-L703 HydrophobicContact CD1-CG 4.26Å; F692-L703 HydrophobicContact CD2-CD1 4.16Å; F692-L703 HydrophobicContact CE1-CB 4.04Å; F692-L703 HydrophobicContact CE1-CD1 3.68Å; F692-L703 HydrophobicContact CE1-CG 4.2Å; F692-L703 HydrophobicContact CE2-CD1 4.28Å; F692-L703 HydrophobicContact CG-CD1 3.82Å; F692-L703 HydrophobicContact CZ-CD1 4.04Å; D701-L703 PolarHBondContact O-N 3.15Å; D701-L703 PolarHBondContact OD1-N 2.64Å; L703-L705 VanDerWaalsContact C-N 3.29Å; L703-L705 PolarHBondContact O-N 3.37Å; L703-L706 PolarHBondContact O-N 3.29Å; L703-L706 VanDerWaalsContact O-N 3.14Å; L703-L707 HydrophobicContact CD2-CD1 3.54Å; L703-L707 HydrophobicContact CD2-CG 4.03Å; L703-L707 WeakPolarHBondContact O-CG 3.42Å; L703-L707 PolarHBondContact O-N 2.93Å; L703-Y729 HydrophobicContact CB-CE2 4.48Å; L703-Y729 HydrophobicContact CD2-CD2 3.65Å; L703-Y729 HydrophobicContact CD2-CE2 4.25Å
704	L	56.5	Low	48.6	Very low	59 Å²	59	84.9 Å²	84.9	31%	0.309	47%	0.469	S	S	.	.	H	α-helix	trans	-59.7	-41.3	169.7	-161	81.6	0	0	0	111.2	D701 L706 L707 R708 V725	D701-L704 HydrophobicContact CB-CB 4.01Å; D701-L704 PolarHBondContact O-N 3.26Å; D701-L704 PolarHBondContact OD1-N 3.45Å; L704-L706 VanDerWaalsContact C-N 3.32Å; L704-L706 PolarHBondContact O-N 2.98Å; L704-L707 PolarHBondContact O-N 2.82Å; L704-R708 PolarHBondContact O-N 3.36Å; L704-V725 HydrophobicContact CD1-CG1 3.95Å; L704-V725 HydrophobicContact CG-CG1 4.46Å
705	L	53.6	Low	47.9	Very low	98 Å²	98	82.3 Å²	82.3	51%	0.513	47%	0.471	S	S	.	.	H	α-helix	trans	-68	-25.2	175.3	-71.7	171.7	0	0	0	114.2	N700 D701 L703 R709	N700-L705 HydrophobicContact CB-CD1 4.47Å; D701-L705 PolarHBondContact O-N 3.12Å; D701-L705 VanDerWaalsContact O-N 3.14Å; L703-L705 VanDerWaalsContact C-N 3.29Å; L703-L705 PolarHBondContact O-N 3.37Å; L705-R709 WeakPolarHBondContact O-CB 3.47Å
706	L	54.3	Low	47.6	Very low	24 Å²	24	85.1 Å²	85.1	13%	0.126	49%	0.489	C	S	.	.	H	α-helix	trans	-80.3	-36.2	172.4	-75.7	165.4	0	0	0	111.8	Y620 F692 P702 L703 L704	Y620-L706 HydrophobicContact CD2-CB 4.45Å; F692-L706 HydrophobicContact CE1-CD1 4.19Å; F692-L706 HydrophobicContact CZ-CD1 4.45Å; P702-L706 WeakPolarHBondContact O-CD1 3.29Å; P702-L706 VanDerWaalsContact O-CG 3.24Å; P702-L706 WeakPolarHBondContact O-CG 3.44Å; P702-L706 PolarHBondContact O-N 3.2Å; P702-L706 VanDerWaalsContact O-N 3.15Å; L703-L706 PolarHBondContact O-N 3.29Å; L703-L706 VanDerWaalsContact O-N 3.14Å; L704-L706 VanDerWaalsContact C-N 3.32Å; L704-L706 PolarHBondContact O-N 2.98Å
707	L	54	Low	47.3	Very low	1 Å²	1	89 Å²	89	1%	0.005	50%	0.499	C	S	.	.	H	α-helix	trans	-68.2	-51.3	175	-71.5	170.9	0	0	0	112.1	Y620 L703 L704 R709 R710 V725 E728	Y620-L707 HydrophobicContact CE2-CD2 3.81Å; Y620-L707 HydrophobicContact CE2-CG 4.42Å; Y620-L707 VanDerWaalsContact OH-CD2 3.26Å; Y620-L707 WeakPolarHBondContact OH-CD2 3.45Å; L703-L707 HydrophobicContact CD2-CD1 3.54Å; L703-L707 HydrophobicContact CD2-CG 4.03Å; L703-L707 WeakPolarHBondContact O-CG 3.42Å; L703-L707 PolarHBondContact O-N 2.93Å; L704-L707 PolarHBondContact O-N 2.82Å; L707-R709 PolarHBondContact O-N 2.76Å; L707-R710 WeakPolarHBondContact O-CA 3.43Å; L707-R710 WeakPolarHBondContact O-CB 3.42Å; L707-R710 PolarHBondContact O-N 2.84Å; L707-V725 HydrophobicContact CB-CB 4.3Å; L707-V725 HydrophobicContact CB-CG1 3.54Å; L707-V725 HydrophobicContact CB-CG2 4.09Å; L707-V725 HydrophobicContact CD1-CG1 4.27Å; L707-E728 WeakPolarHBondContact CD2-OE2 3.25Å
708	R	56.6	Low	47.5	Very low	105 Å²	105	92.2 Å²	92.2	40%	0.396	50%	0.501	S	S	.	.	H	α-helix	trans	-58.7	-34.6	177.9	-175.6	-178.8	-80.6	179.3	-5.4	112.6	L704 R710 H711 H712 D722	L704-R708 PolarHBondContact O-N 3.36Å; R708-R710 PolarHBondContact O-N 2.92Å; R708-H711 PolarHBondContact O-N 3.36Å; R708-H712 PolarHBondContact O-N 3.41Å; R708-D722 IonicContact CZ-OD1 2.64Å; R708-D722 IonicContact CZ-OD2 2.76Å; R708-D722 IonicContact NE-OD1 2.74Å; R708-D722 PolarHBondContact NE-OD1 3.35Å; R708-D722 IonicContact NE-OD2 3.15Å; R708-D722 IonicContact NH2-OD1 3.18Å; R708-D722 PolarHBondContact NH2-OD1 2.8Å; R708-D722 IonicContact NH2-OD2 2.85Å; R708-D722 PolarHBondContact NH2-OD2 3.21Å
709	R	55.4	Low	48	Very low	147 Å²	147	93 Å²	93	56%	0.555	51%	0.505	S	S	*	.	H	α-helix	trans	-67.9	-10.2	174.7	-169.1	177.6	-67.5	-157	-3.4	113.7	L705 L707	L705-R709 WeakPolarHBondContact O-CB 3.47Å; L707-R709 PolarHBondContact O-N 2.76Å
710	R	50.7	Low	48.7	Very low	103 Å²	103	95.1 Å²	95.1	39%	0.389	51%	0.509	S	S	.	.	H	α-helix	trans	-88.7	-34.2	179	-161.9	-174.3	-160.9	-163.5	1.1	113	Y620 H624 L707 R708 E728	Y620-R710 WeakPolarHBondContact OH-CD 3.41Å; Y620-R710 PolarHBondContact OH-NH1 2.75Å; H624-R710 PolarHBondContact CD2-NH1 2.99Å; H624-R710 VanDerWaalsContact CD2-NH1 3.35Å; H624-R710 PolarHBondContact CD2-NH2 3.28Å; H624-R710 PolarHBondContact CE1-NH2 2.93Å; H624-R710 PolarHBondContact ND1-NH2 3.45Å; H624-R710 VanDerWaalsContact ND1-NH2 3.16Å; H624-R710 PolarHBondContact NE2-NH1 2.87Å; H624-R710 PolarHBondContact NE2-NH2 3.36Å; L707-R710 WeakPolarHBondContact O-CA 3.43Å; L707-R710 WeakPolarHBondContact O-CB 3.42Å; L707-R710 PolarHBondContact O-N 2.84Å; R708-R710 PolarHBondContact O-N 2.92Å; R710-E728 IonicContact NH1-OE2 3.52Å
711	H	52.1	Low	49.1	Very low	52 Å²	52	91.8 Å²	91.8	24%	0.241	49%	0.491	C	S	.	.	H	α-helix	trans	-79.4	-43.6	-179.1	-81.7	-110.1	0	0	0	111.5	R708 G713 D721 E724 V725	R708-H711 PolarHBondContact O-N 3.36Å; H711-G713 VanDerWaalsContact C-N 3.28Å; H711-G713 PolarHBondContact O-N 2.99Å; H711-D721 HydrophobicContact CB-CB 4.08Å; H711-D721 IonicContact CE1-OD1 2.88Å; H711-D721 IonicContact CG-OD1 2.76Å; H711-D721 IonicContact ND1-OD1 2.63Å; H711-D721 PolarHBondContact ND1-OD1 2.86Å; H711-E724 IonicContact CE1-OE2 2.76Å; H711-V725 VanDerWaalsContact CD2-CG2 3.46Å; H711-V725 WeakPolarHBondContact CD2-CG2 3.47Å
712	H	46	Very low	48.7	Very low	122 Å²	122	92.2 Å²	92.2	57%	0.565	49%	0.493	S	S	*	.			trans	-69.5	76.2	174.1	-70	-9.5	0	0	0	113.7	R708	R708-H712 PolarHBondContact O-N 3.41Å
713	G	40	Very low	49.1	Very low	64 Å²	64	96.8 Å²	96.8	66%	0.66	52%	0.516	S	S	*	.			trans	-102.5	76.5	177	0	0	0	0	0	113.7	H711	H711-G713 VanDerWaalsContact C-N 3.28Å; H711-G713 PolarHBondContact O-N 2.99Å
714	N	38.2	Very low	49.3	Very low	178 Å²	178	102.9 Å²	102.9	95%	0.952	54%	0.544	S	S	*	.	S	Bend	trans	57.1	61.6	173.7	-62.6	-19.8	0	0	0	115.4
715	G	36.3	Very low	49.2	Very low	69 Å²	69	100.2 Å²	100.2	71%	0.711	53%	0.53	S	S	*	.			trans	-151.3	143.8	164.5	0	0	0	0	0	110
716	D	39.4	Very low	49.6	Very low	157 Å²	157	100.7 Å²	100.7	84%	0.84	53%	0.53	S	S	*	.			trans	-82	156.3	162.7	-56.4	-70.6	0	0	0	108.8
717	D	38.9	Very low	50	Low	154 Å²	154	105.7 Å²	105.7	82%	0.824	55%	0.552	S	S	*	*			trans	60.3	93.9	170.7	-52.3	-28.8	0	0	0	117.8
718	D	45.4	Very low	50.2	Low	132 Å²	132	107.9 Å²	107.9	71%	0.706	56%	0.562	S	S	*	*			trans	-174.9	120.4	137.4	-93.8	-25.8	0	0	0	109.6	D720	D718-D720 VanDerWaalsContact C-N 3.31Å; D718-D720 PolarHBondContact O-N 2.9Å
719	D	52.5	Low	50.4	Low	160 Å²	160	105.4 Å²	105.4	86%	0.856	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-82	-2.1	-176.7	-75.9	-51.2	0	0	0	113.8	D721	D719-D721 PolarHBondContact O-N 3.17Å
720	D	52.2	Low	50.9	Low	146 Å²	146	103.1 Å²	103.1	78%	0.781	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-80.7	-8.4	-170.7	-74.9	-19.1	0	0	0	114.6	D718 D722	D718-D720 VanDerWaalsContact C-N 3.31Å; D718-D720 PolarHBondContact O-N 2.9Å; D720-D722 VanDerWaalsContact C-N 3.32Å; D720-D722 PolarHBondContact O-N 3.03Å
721	D	50.1	Low	51.7	Low	61 Å²	61	103 Å²	103	33%	0.326	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-75.2	-12.9	-173.8	-111.5	-26.9	0	0	0	114.6	H711 D719	H711-D721 HydrophobicContact CB-CB 4.08Å; H711-D721 IonicContact CE1-OD1 2.88Å; H711-D721 IonicContact CG-OD1 2.76Å; H711-D721 IonicContact ND1-OD1 2.63Å; H711-D721 PolarHBondContact ND1-OD1 2.86Å; D719-D721 PolarHBondContact O-N 3.17Å
722	D	50.2	Low	52.2	Low	60 Å²	60	100.9 Å²	100.9	32%	0.321	54%	0.542	S	S	.	.	H	α-helix	trans	-73.9	-31.4	-173.5	-95.2	-31.9	0	0	0	114	R708 D720 V725 E726	R708-D722 IonicContact CZ-OD1 2.64Å; R708-D722 IonicContact CZ-OD2 2.76Å; R708-D722 IonicContact NE-OD1 2.74Å; R708-D722 PolarHBondContact NE-OD1 3.35Å; R708-D722 IonicContact NE-OD2 3.15Å; R708-D722 IonicContact NH2-OD1 3.18Å; R708-D722 PolarHBondContact NH2-OD1 2.8Å; R708-D722 IonicContact NH2-OD2 2.85Å; R708-D722 PolarHBondContact NH2-OD2 3.21Å; D720-D722 VanDerWaalsContact C-N 3.32Å; D720-D722 PolarHBondContact O-N 3.03Å; D722-V725 WeakPolarHBondContact O-CB 3.48Å; D722-V725 PolarHBondContact O-N 3.27Å; D722-E726 PolarHBondContact O-N 2.9Å; D722-E726 VanDerWaalsContact O-N 3.13Å
723	D	57.3	Low	53	Low	136 Å²	136	97.3 Å²	97.3	73%	0.727	53%	0.527	S	S	*	.	H	α-helix	trans	-67	-39.9	-176.7	-90.4	1	0	0	0	112.4	V725 E726 E727	D723-V725 VanDerWaalsContact C-N 3.33Å; D723-E726 PolarHBondContact O-N 3.44Å; D723-E727 PolarHBondContact O-N 3.02Å
724	E	55.9	Low	54.4	Low	133 Å²	133	98.6 Å²	98.6	62%	0.621	52%	0.516	S	S	*	.	H	α-helix	trans	-71.6	-31.6	-179.4	-167.5	168.4	-135.8	0	0	111.4	H711 E728	H711-E724 IonicContact CE1-OE2 2.76Å; E724-E728 PolarHBondContact O-N 3.2Å; E724-E728 VanDerWaalsContact O-N 3.08Å
725	V	54.6	Low	55.7	Low	2 Å²	2	92 Å²	92	1%	0.012	48%	0.48	C	S	.	.	H	α-helix	trans	-63.1	-44	170.5	158.2	0	0	0	0	111.5	L704 L707 H711 D722 D723 Y729	L704-V725 HydrophobicContact CD1-CG1 3.95Å; L704-V725 HydrophobicContact CG-CG1 4.46Å; L707-V725 HydrophobicContact CB-CB 4.3Å; L707-V725 HydrophobicContact CB-CG1 3.54Å; L707-V725 HydrophobicContact CB-CG2 4.09Å; L707-V725 HydrophobicContact CD1-CG1 4.27Å; H711-V725 VanDerWaalsContact CD2-CG2 3.46Å; H711-V725 WeakPolarHBondContact CD2-CG2 3.47Å; D722-V725 WeakPolarHBondContact O-CB 3.48Å; D722-V725 PolarHBondContact O-N 3.27Å; D723-V725 VanDerWaalsContact C-N 3.33Å; V725-Y729 PolarHBondContact O-N 3.04Å; V725-Y729 VanDerWaalsContact O-N 3.16Å
726	E	61.2	Low	56.9	Low	109 Å²	109	89 Å²	89	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-73	-33.8	178.3	-163.2	165.1	-176.5	0	0	112.1	D722 D723 Y729 L730	D722-E726 PolarHBondContact O-N 2.9Å; D722-E726 VanDerWaalsContact O-N 3.13Å; D723-E726 PolarHBondContact O-N 3.44Å; E726-Y729 PolarHBondContact O-N 3.12Å; E726-L730 HydrophobicContact CG-CD1 4.05Å; E726-L730 HydrophobicContact CG-CG 4.31Å; E726-L730 WeakPolarHBondContact O-CB 3.34Å; E726-L730 VanDerWaalsContact O-CG 3.25Å; E726-L730 WeakPolarHBondContact O-CG 3.32Å; E726-L730 PolarHBondContact O-N 3.01Å
727	E	62.6	Low	58.4	Low	128 Å²	128	85.2 Å²	85.2	60%	0.598	43%	0.431	S	S	*	.	H	α-helix	trans	-65.4	-39.4	173	-164.4	171.9	-151.9	0	0	112.3	D723 W731	D723-E727 PolarHBondContact O-N 3.02Å; E727-W731 VanDerWaalsContact O-CB 3.3Å; E727-W731 WeakPolarHBondContact O-CB 3.44Å; E727-W731 PolarHBondContact O-N 3.4Å
728	E	58.8	Low	59.6	Low	47 Å²	47	81.8 Å²	81.8	22%	0.22	41%	0.409	C	S	.	.	H	α-helix	trans	-65.5	-40.6	173.6	-173.1	168.2	-126.3	0	0	111.6	Y620 M627 L707 R710 E724 W731 I732	Y620-E728 PolarHBondContact OH-OE2 2.83Å; M627-E728 HydrophobicContact CE-CG 4.21Å; M627-E728 WeakPolarHBondContact CE-OE1 3.08Å; L707-E728 WeakPolarHBondContact CD2-OE2 3.25Å; R710-E728 IonicContact NH1-OE2 3.52Å; E724-E728 PolarHBondContact O-N 3.2Å; E724-E728 VanDerWaalsContact O-N 3.08Å; E728-W731 PolarHBondContact O-N 2.72Å; E728-I732 HydrophobicContact CG-CD1 4.2Å; E728-I732 WeakPolarHBondContact O-CG1 3.13Å; E728-I732 PolarHBondContact O-N 3.47Å
729	Y	61.4	Low	60.3	Low	54 Å²	54	76.2 Å²	76.2	21%	0.212	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-47.7	175.7	179.8	-85.9	0	0	0	112.5	D701 L703 V725 E726 I732 N733	D701-Y729 VanDerWaalsContact OD2-CE2 3.27Å; D701-Y729 WeakPolarHBondContact OD2-CE2 3.3Å; D701-Y729 VanDerWaalsContact OD2-CZ 3.26Å; D701-Y729 PolarHBondContact OD2-OH 3.43Å; L703-Y729 HydrophobicContact CB-CE2 4.48Å; L703-Y729 HydrophobicContact CD2-CD2 3.65Å; L703-Y729 HydrophobicContact CD2-CE2 4.25Å; V725-Y729 PolarHBondContact O-N 3.04Å; V725-Y729 VanDerWaalsContact O-N 3.16Å; E726-Y729 PolarHBondContact O-N 3.12Å; Y729-I732 PolarHBondContact O-N 3.15Å; Y729-N733 WeakPolarHBondContact CD1-ND2 3.42Å; Y729-N733 WeakPolarHBondContact CE1-ND2 3.46Å; Y729-N733 PolarHBondContact O-N 3.36Å; Y729-N733 PolarHBondContact O-ND2 3.4Å; Y729-N733 VanDerWaalsContact O-ND2 3.1Å
730	L	65.6	Low	60.9	Low	99 Å²	99	71.2 Å²	71.2	52%	0.518	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-39.9	178.5	-73.1	168.5	0	0	0	111.4	E726 I732 N733 E734	E726-L730 HydrophobicContact CG-CD1 4.05Å; E726-L730 HydrophobicContact CG-CG 4.31Å; E726-L730 WeakPolarHBondContact O-CB 3.34Å; E726-L730 VanDerWaalsContact O-CG 3.25Å; E726-L730 WeakPolarHBondContact O-CG 3.32Å; E726-L730 PolarHBondContact O-N 3.01Å; L730-I732 PolarHBondContact O-N 3.03Å; L730-N733 PolarHBondContact O-N 2.88Å; L730-E734 PolarHBondContact O-N 3.25Å
731	W	67.1	Low	61.6	Low	101 Å²	101	68.4 Å²	68.4	38%	0.383	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-40.4	178.3	-176.2	65.7	0	0	0	112.9	M627 E727 E728 L735	M627-W731 HydrophobicContact CE-CE3 4.46Å; M627-W731 HydrophobicContact CE-CZ3 4.08Å; E727-W731 VanDerWaalsContact O-CB 3.3Å; E727-W731 WeakPolarHBondContact O-CB 3.44Å; E727-W731 PolarHBondContact O-N 3.4Å; E728-W731 PolarHBondContact O-N 2.72Å; W731-L735 WeakPolarHBondContact O-CB 3.46Å; W731-L735 PolarHBondContact O-N 2.88Å
732	I	62.4	Low	61.8	Low	6 Å²	6	72.1 Å²	72.1	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-40.7	178.2	-60.6	160.7	0	0	0	111.1	M627 F684 W688 E728 Y729 L730 L735 I736	M627-I732 HydrophobicContact CE-CD1 3.98Å; M627-I732 HydrophobicContact CE-CG1 4.14Å; M627-I732 HydrophobicContact SD-CD1 4.07Å; M627-I732 HydrophobicContact SD-CG1 4.34Å; F684-I732 HydrophobicContact CE1-CG2 4.11Å; F684-I732 HydrophobicContact CZ-CG2 3.79Å; W688-I732 HydrophobicContact CD2-CG2 4.39Å; W688-I732 HydrophobicContact CE3-CG2 3.78Å; W688-I732 HydrophobicContact CH2-CB 4.15Å; W688-I732 HydrophobicContact CH2-CG2 3.52Å; W688-I732 HydrophobicContact CZ2-CG2 4.16Å; W688-I732 HydrophobicContact CZ3-CB 4.26Å; W688-I732 HydrophobicContact CZ3-CD1 4.32Å; W688-I732 HydrophobicContact CZ3-CG2 3.32Å; E728-I732 HydrophobicContact CG-CD1 4.2Å; E728-I732 WeakPolarHBondContact O-CG1 3.13Å; E728-I732 PolarHBondContact O-N 3.47Å; Y729-I732 PolarHBondContact O-N 3.15Å; L730-I732 PolarHBondContact O-N 3.03Å; I732-L735 WeakPolarHBondContact O-CB 3.48Å; I732-L735 PolarHBondContact O-N 3.03Å; I732-I736 HydrophobicContact CG2-CD1 3.97Å; I732-I736 WeakPolarHBondContact O-CG1 3.4Å; I732-I736 PolarHBondContact O-N 2.91Å
733	N	63.9	Low	62.4	Low	48 Å²	48	72.1 Å²	72.1	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-67.6	-39	177.8	-79.4	-61.2	0	0	0	112.7	Y729 L730 I736 T737	Y729-N733 WeakPolarHBondContact CD1-ND2 3.42Å; Y729-N733 WeakPolarHBondContact CE1-ND2 3.46Å; Y729-N733 PolarHBondContact O-N 3.36Å; Y729-N733 PolarHBondContact O-ND2 3.4Å; Y729-N733 VanDerWaalsContact O-ND2 3.1Å; L730-N733 PolarHBondContact O-N 2.88Å; N733-I736 PolarHBondContact O-N 3.36Å; N733-T737 WeakPolarHBondContact O-CB 3.44Å; N733-T737 PolarHBondContact O-N 3.17Å; N733-T737 PolarHBondContact O-OG1 2.85Å
734	E	69.6	Low	62.5	Low	91 Å²	91	68.8 Å²	68.8	43%	0.425	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-47.5	169.9	171.2	63	-166.9	0	0	110.8	L730 I736 T737 Q738	L730-E734 PolarHBondContact O-N 3.25Å; E734-I736 VanDerWaalsContact C-N 3.29Å; E734-I736 PolarHBondContact O-N 2.76Å; E734-T737 WeakPolarHBondContact O-CB 3.39Å; E734-T737 PolarHBondContact O-N 3.4Å; E734-Q738 WeakPolarHBondContact O-CG 3.41Å; E734-Q738 PolarHBondContact O-N 2.76Å; E734-Q738 PolarHBondContact OE1-NE2 3.34Å
735	L	64.3	Low	62	Low	40 Å²	40	67.5 Å²	67.5	21%	0.209	33%	0.325	C	S	.	.	H	α-helix	trans	-56.7	-42.6	177.8	177.3	63.4	0	0	0	112.1	F684 W731 I732 Q738 I739	F684-L735 HydrophobicContact CE1-CD2 4.14Å; W731-L735 WeakPolarHBondContact O-CB 3.46Å; W731-L735 PolarHBondContact O-N 2.88Å; I732-L735 WeakPolarHBondContact O-CB 3.48Å; I732-L735 PolarHBondContact O-N 3.03Å; L735-Q738 PolarHBondContact O-N 3.36Å; L735-I739 HydrophobicContact CG-CD1 4.32Å; L735-I739 VanDerWaalsContact O-CG1 3.31Å; L735-I739 WeakPolarHBondContact O-CG1 3.48Å; L735-I739 PolarHBondContact O-N 3.4Å; L735-I739 VanDerWaalsContact O-N 3.09Å
736	I	62.7	Low	61.5	Low	4 Å²	4	70.1 Å²	70.1	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-73.1	-35.7	179.4	-68	175.8	0	0	0	111.6	F684 W688 I732 N733 E734 Q738 I739 E740	F684-I736 HydrophobicContact CD1-CD1 4.42Å; F684-I736 HydrophobicContact CD1-CG1 4.28Å; F684-I736 HydrophobicContact CE1-CD1 3.8Å; F684-I736 HydrophobicContact CE1-CG1 3.81Å; W688-I736 HydrophobicContact CB-CD1 3.65Å; W688-I736 HydrophobicContact CD2-CD1 3.32Å; W688-I736 HydrophobicContact CE3-CD1 3.99Å; W688-I736 HydrophobicContact CG-CD1 3.16Å; W688-I736 HydrophobicContact CZ2-CD1 4.37Å; I732-I736 HydrophobicContact CG2-CD1 3.97Å; I732-I736 WeakPolarHBondContact O-CG1 3.4Å; I732-I736 PolarHBondContact O-N 2.91Å; N733-I736 PolarHBondContact O-N 3.36Å; E734-I736 VanDerWaalsContact C-N 3.29Å; E734-I736 PolarHBondContact O-N 2.76Å; I736-Q738 VanDerWaalsContact C-N 3.31Å; I736-Q738 PolarHBondContact O-N 2.95Å; I736-I739 PolarHBondContact O-N 3.19Å; I736-E740 WeakPolarHBondContact O-CB 3.43Å; I736-E740 PolarHBondContact O-N 3.47Å
737	T	69	Low	60.4	Low	79 Å²	79	72.1 Å²	72.1	49%	0.485	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-40.3	172.2	-56.9	0	0	0	0	111	N733 E734 E740 L741	N733-T737 WeakPolarHBondContact O-CB 3.44Å; N733-T737 PolarHBondContact O-N 3.17Å; N733-T737 PolarHBondContact O-OG1 2.85Å; E734-T737 WeakPolarHBondContact O-CB 3.39Å; E734-T737 PolarHBondContact O-N 3.4Å; T737-E740 PolarHBondContact O-N 3.41Å; T737-L741 WeakPolarHBondContact O-CB 3.3Å; T737-L741 PolarHBondContact O-N 2.9Å
738	Q	65.3	Low	59.1	Low	81 Å²	81	72.5 Å²	72.5	38%	0.379	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-36.1	174.1	-65.3	-66.2	-20.9	0	0	112.6	E734 L735 I736 Y742	E734-Q738 WeakPolarHBondContact O-CG 3.41Å; E734-Q738 PolarHBondContact O-N 2.76Å; E734-Q738 PolarHBondContact OE1-NE2 3.34Å; L735-Q738 PolarHBondContact O-N 3.36Å; I736-Q738 VanDerWaalsContact C-N 3.31Å; I736-Q738 PolarHBondContact O-N 2.95Å; Q738-Y742 WeakPolarHBondContact O-CB 3.46Å; Q738-Y742 PolarHBondContact O-N 3.31Å
739	I	59.5	Low	58	Low	15 Å²	15	76.2 Å²	76.2	8%	0.077	36%	0.364	C	S	.	.	H	α-helix	trans	-68.8	-42.2	173.3	-61.5	161.8	0	0	0	110.6	L681 K685 L735 I736 L741 Y742 E743	L681-I739 HydrophobicContact CB-CD1 4.13Å; L681-I739 HydrophobicContact CB-CG1 4.5Å; L681-I739 HydrophobicContact CD2-CD1 4.08Å; K685-I739 HydrophobicContact CB-CG2 4.42Å; K685-I739 HydrophobicContact CD-CG2 3.77Å; L735-I739 HydrophobicContact CG-CD1 4.32Å; L735-I739 VanDerWaalsContact O-CG1 3.31Å; L735-I739 WeakPolarHBondContact O-CG1 3.48Å; L735-I739 PolarHBondContact O-N 3.4Å; L735-I739 VanDerWaalsContact O-N 3.09Å; I736-I739 PolarHBondContact O-N 3.19Å; I739-L741 VanDerWaalsContact C-N 3.35Å; I739-Y742 PolarHBondContact O-N 3.09Å; I739-E743 WeakPolarHBondContact CG2-OE1 3.43Å; I739-E743 WeakPolarHBondContact O-CB 3.36Å; I739-E743 WeakPolarHBondContact O-CG 3.46Å; I739-E743 PolarHBondContact O-N 2.95Å
740	E	65.9	Low	56.8	Low	56 Å²	56	78.5 Å²	78.5	26%	0.262	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-37.6	175.3	-80.7	177.4	177	0	0	111.9	K685 K693 I736 T737 S744	K685-E740 HydrophobicContact CD-CG 4.29Å; K685-E740 VanDerWaalsContact CE-CG 3.43Å; K685-E740 WeakPolarHBondContact CE-OE1 3.36Å; K685-E740 VanDerWaalsContact NZ-CG 3.25Å; K693-E740 IonicContact NZ-OE1 2.64Å; K693-E740 PolarHBondContact NZ-OE1 3.21Å; K693-E740 IonicContact NZ-OE2 3.45Å; K693-E740 PolarHBondContact NZ-OE2 3.45Å; I736-E740 WeakPolarHBondContact O-CB 3.43Å; I736-E740 PolarHBondContact O-N 3.47Å; T737-E740 PolarHBondContact O-N 3.41Å; E740-S744 VanDerWaalsContact O-CB 3.3Å; E740-S744 WeakPolarHBondContact O-CB 3.5Å; E740-S744 PolarHBondContact O-N 3.47Å; E740-S744 PolarHBondContact O-OG 3.42Å
741	L	66.4	Low	55.4	Low	87 Å²	87	76.2 Å²	76.2	46%	0.455	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-46.1	172.7	-172.8	70.3	0	0	0	112.3	T737 I739 S744 Q745	T737-L741 WeakPolarHBondContact O-CB 3.3Å; T737-L741 PolarHBondContact O-N 2.9Å; I739-L741 VanDerWaalsContact C-N 3.35Å; L741-S744 WeakPolarHBondContact O-CB 3.44Å; L741-S744 PolarHBondContact O-N 3.22Å; L741-Q745 WeakPolarHBondContact O-CG 3.39Å; L741-Q745 PolarHBondContact O-N 3.29Å
742	Y	55.3	Low	53.8	Low	138 Å²	138	75.5 Å²	75.5	54%	0.541	37%	0.372	S	S	.	.	H	α-helix	trans	-65.6	-43.6	-179.8	-173.7	-100.8	0	0	0	112.3	L678 Q738 I739 S744 Q745 D746	L678-Y742 HydrophobicContact CD2-CE1 4.18Å; Q738-Y742 WeakPolarHBondContact O-CB 3.46Å; Q738-Y742 PolarHBondContact O-N 3.31Å; I739-Y742 PolarHBondContact O-N 3.09Å; Y742-S744 VanDerWaalsContact C-N 3.28Å; Y742-S744 PolarHBondContact O-N 3.34Å; Y742-Q745 PolarHBondContact O-N 2.91Å; Y742-D746 PolarHBondContact O-N 3.37Å
743	E	61.6	Low	52.4	Low	60 Å²	60	80 Å²	80	28%	0.28	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-34.2	172.8	-75.7	178.5	-148.5	0	0	111.9	H682 K685 I739 Y747	H682-E743 IonicContact CD2-OE1 3.62Å; K685-E743 WeakPolarHBondContact CD-OE1 3.38Å; K685-E743 IonicContact NZ-OE1 2.66Å; K685-E743 PolarHBondContact NZ-OE1 2.96Å; K685-E743 IonicContact NZ-OE2 2.7Å; K685-E743 PolarHBondContact NZ-OE2 3.41Å; I739-E743 WeakPolarHBondContact CG2-OE1 3.43Å; I739-E743 WeakPolarHBondContact O-CB 3.36Å; I739-E743 WeakPolarHBondContact O-CG 3.46Å; I739-E743 PolarHBondContact O-N 2.95Å; E743-Y747 WeakPolarHBondContact O-CB 3.42Å; E743-Y747 PolarHBondContact O-N 3Å
744	S	58.7	Low	50.9	Low	67 Å²	67	81.4 Å²	81.4	47%	0.469	40%	0.401	S	S	.	.	H	α-helix	trans	-68.1	-40.1	175.9	-60.5	0	0	0	0	112.6	E740 L741 Y742 Y747 E748	E740-S744 VanDerWaalsContact O-CB 3.3Å; E740-S744 WeakPolarHBondContact O-CB 3.5Å; E740-S744 PolarHBondContact O-N 3.47Å; E740-S744 PolarHBondContact O-OG 3.42Å; L741-S744 WeakPolarHBondContact O-CB 3.44Å; L741-S744 PolarHBondContact O-N 3.22Å; Y742-S744 VanDerWaalsContact C-N 3.28Å; Y742-S744 PolarHBondContact O-N 3.34Å; S744-Y747 CarbonylContact O-C 3.59Å; S744-Y747 WeakPolarHBondContact O-CA 3.38Å; S744-Y747 WeakPolarHBondContact O-CB 3.46Å; S744-Y747 PolarHBondContact O-N 3.46Å; S744-Y747 VanDerWaalsContact O-N 3.16Å; S744-E748 PolarHBondContact O-N 2.88Å
745	Q	46.5	Very low	49.3	Very low	105 Å²	105	84.3 Å²	84.3	49%	0.491	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-41.8	174.6	-72.1	176.3	-6.2	0	0	112	L741 Y742 Y747 E748 M749	L741-Q745 WeakPolarHBondContact O-CG 3.39Å; L741-Q745 PolarHBondContact O-N 3.29Å; Y742-Q745 PolarHBondContact O-N 2.91Å; Q745-Y747 VanDerWaalsContact C-N 3.27Å; Q745-Y747 PolarHBondContact O-N 2.96Å; Q745-E748 PolarHBondContact O-N 3.21Å; Q745-M749 WeakPolarHBondContact O-CB 3.35Å; Q745-M749 PolarHBondContact O-N 2.91Å
746	D	44.4	Very low	47.8	Very low	58 Å²	58	88 Å²	88	31%	0.31	44%	0.439	S	S	.	.	H	α-helix	trans	-65.8	-30.9	172.5	-174.5	34.4	0	0	0	111.4	Y742 K750	Y742-D746 PolarHBondContact O-N 3.37Å; D746-K750 WeakPolarHBondContact O-CB 3.34Å; D746-K750 VanDerWaalsContact O-CD 3.28Å; D746-K750 WeakPolarHBondContact O-CD 3.28Å; D746-K750 WeakPolarHBondContact O-CG 3.44Å; D746-K750 PolarHBondContact O-N 3.49Å; D746-K750 WeakPolarHBondContact OD1-CE 3.46Å; D746-K750 IonicContact OD1-NZ 3.83Å; D746-K750 PolarHBondContact OD1-NZ 3.35Å; D746-K750 IonicContact OD2-NZ 2.59Å; D746-K750 PolarHBondContact OD2-NZ 2.96Å
747	Y	38.2	Very low	46.2	Very low	151 Å²	151	93.3 Å²	93.3	59%	0.592	46%	0.462	S	S	*	.	H	α-helix	trans	-71.9	-42.4	172.9	-152.2	-91.4	0	0	0	112.8	E743 S744 Q745 M749 K750 T751	E743-Y747 WeakPolarHBondContact O-CB 3.42Å; E743-Y747 PolarHBondContact O-N 3Å; S744-Y747 CarbonylContact O-C 3.59Å; S744-Y747 WeakPolarHBondContact O-CA 3.38Å; S744-Y747 WeakPolarHBondContact O-CB 3.46Å; S744-Y747 PolarHBondContact O-N 3.46Å; S744-Y747 VanDerWaalsContact O-N 3.16Å; Q745-Y747 VanDerWaalsContact C-N 3.27Å; Q745-Y747 PolarHBondContact O-N 2.96Å; Y747-M749 VanDerWaalsContact C-N 3.35Å; Y747-K750 CarbonylContact O-C 3.47Å; Y747-K750 WeakPolarHBondContact O-CA 3.43Å; Y747-K750 PolarHBondContact O-N 2.95Å; Y747-K750 VanDerWaalsContact O-N 3.07Å; Y747-T751 HydrophobicContact CD1-CG2 3.53Å; Y747-T751 HydrophobicContact CE1-CG2 3.4Å; Y747-T751 VanDerWaalsContact CE1-CG2 3.4Å; Y747-T751 WeakPolarHBondContact O-CG2 3.27Å; Y747-T751 PolarHBondContact O-N 3.25Å; Y747-T751 PolarHBondContact O-OG1 3.07Å
748	E	33.9	Very low	44.1	Very low	136 Å²	136	95.2 Å²	95.2	64%	0.636	48%	0.479	S	S	*	.	H	α-helix	trans	-61.1	-42.7	172.4	-75.9	-167.3	124.8	0	0	111.7	S744 Q745 K750 T751 T752	S744-E748 PolarHBondContact O-N 2.88Å; Q745-E748 PolarHBondContact O-N 3.21Å; E748-K750 PolarHBondContact O-N 2.93Å; E748-T751 WeakPolarHBondContact CA-OG1 3.35Å; E748-T751 PolarHBondContact O-N 3.35Å; E748-T751 PolarHBondContact O-OG1 3Å; E748-T752 WeakPolarHBondContact O-CB 3.49Å; E748-T752 WeakPolarHBondContact O-CG2 3.29Å; E748-T752 PolarHBondContact O-N 3.32Å; E748-T752 PolarHBondContact O-OG1 3.31Å
749	M	36.3	Very low	42.3	Very low	125 Å²	125	98 Å²	98	62%	0.616	49%	0.493	S	S	*	.	H	α-helix	trans	-66.7	-21	175.1	-158.8	175.1	71.1	0	0	112.3	Q745 Y747 T752 N753	Q745-M749 WeakPolarHBondContact O-CB 3.35Å; Q745-M749 PolarHBondContact O-N 2.91Å; Y747-M749 VanDerWaalsContact C-N 3.35Å; M749-T752 PolarHBondContact O-OG1 2.83Å; M749-N753 PolarHBondContact O-ND2 2.7Å
750	K	36.5	Very low	40.8	Very low	101 Å²	101	104 Å²	104	44%	0.439	52%	0.524	S	S	.	.	H	α-helix	trans	-89.5	-35.8	173.1	-75.1	164.5	-175.6	166	0	113.3	D746 Y747 E748 N753 Q754	D746-K750 WeakPolarHBondContact O-CB 3.34Å; D746-K750 VanDerWaalsContact O-CD 3.28Å; D746-K750 WeakPolarHBondContact O-CD 3.28Å; D746-K750 WeakPolarHBondContact O-CG 3.44Å; D746-K750 PolarHBondContact O-N 3.49Å; D746-K750 WeakPolarHBondContact OD1-CE 3.46Å; D746-K750 IonicContact OD1-NZ 3.83Å; D746-K750 PolarHBondContact OD1-NZ 3.35Å; D746-K750 IonicContact OD2-NZ 2.59Å; D746-K750 PolarHBondContact OD2-NZ 2.96Å; Y747-K750 CarbonylContact O-C 3.47Å; Y747-K750 WeakPolarHBondContact O-CA 3.43Å; Y747-K750 PolarHBondContact O-N 2.95Å; Y747-K750 VanDerWaalsContact O-N 3.07Å; E748-K750 PolarHBondContact O-N 2.93Å; K750-N753 PolarHBondContact O-N 3.03Å; K750-Q754 WeakPolarHBondContact O-CB 3.36Å; K750-Q754 WeakPolarHBondContact O-CG 3.43Å; K750-Q754 PolarHBondContact O-N 3.31Å
751	T	36.2	Very low	39	Very low	52 Å²	52	106.8 Å²	106.8	32%	0.319	55%	0.547	S	S	.	.	H	α-helix	trans	-74.9	-38.3	179.9	51.6	0	0	0	0	112.3	Y747 E748 N753 Q754 L755	Y747-T751 HydrophobicContact CD1-CG2 3.53Å; Y747-T751 HydrophobicContact CE1-CG2 3.4Å; Y747-T751 VanDerWaalsContact CE1-CG2 3.4Å; Y747-T751 WeakPolarHBondContact O-CG2 3.27Å; Y747-T751 PolarHBondContact O-N 3.25Å; Y747-T751 PolarHBondContact O-OG1 3.07Å; E748-T751 WeakPolarHBondContact CA-OG1 3.35Å; E748-T751 PolarHBondContact O-N 3.35Å; E748-T751 PolarHBondContact O-OG1 3Å; T751-N753 PolarHBondContact O-N 3.15Å; T751-Q754 PolarHBondContact O-N 2.88Å; T751-L755 PolarHBondContact O-N 3.44Å
752	T	32.8	Very low	37.1	Very low	86 Å²	86	107.8 Å²	107.8	53%	0.528	55%	0.551	S	S	.	*	H	α-helix	trans	-56.7	-38.8	169.3	48	0	0	0	0	111.9	E748 M749	E748-T752 WeakPolarHBondContact O-CB 3.49Å; E748-T752 WeakPolarHBondContact O-CG2 3.29Å; E748-T752 PolarHBondContact O-N 3.32Å; E748-T752 PolarHBondContact O-OG1 3.31Å; M749-T752 PolarHBondContact O-OG1 2.83Å
753	N	34.3	Very low	35.9	Very low	101 Å²	101	105.6 Å²	105.6	54%	0.54	55%	0.554	S	S	.	*	H	α-helix	trans	-74.5	-32.2	172.5	-81.8	-62.2	0	0	0	113.7	M749 K750 T751 L755 N756	M749-N753 PolarHBondContact O-ND2 2.7Å; K750-N753 PolarHBondContact O-N 3.03Å; T751-N753 PolarHBondContact O-N 3.15Å; N753-L755 VanDerWaalsContact C-N 3.25Å; N753-L755 PolarHBondContact O-N 3.02Å; N753-N756 PolarHBondContact O-N 3.05Å; N753-N756 VanDerWaalsContact O-N 3.08Å
754	Q	32.3	Very low	35.1	Very low	76 Å²	76	107 Å²	107	36%	0.355	56%	0.563	S	S	.	*	H	α-helix	trans	-71.3	-13	178.1	-79.8	-166.4	66.4	0	0	114.8	K750 T751 N756 K757	K750-Q754 WeakPolarHBondContact O-CB 3.36Å; K750-Q754 WeakPolarHBondContact O-CG 3.43Å; K750-Q754 PolarHBondContact O-N 3.31Å; T751-Q754 PolarHBondContact O-N 2.88Å; Q754-N756 VanDerWaalsContact C-N 3.33Å; Q754-K757 VanDerWaalsContact O-CD 3.26Å; Q754-K757 WeakPolarHBondContact O-CD 3.36Å; Q754-K757 WeakPolarHBondContact O-CE 3.42Å; Q754-K757 VanDerWaalsContact O-CG 3.25Å; Q754-K757 WeakPolarHBondContact O-CG 3.4Å; Q754-K757 VanDerWaalsContact OE1-CE 3.3Å
755	L	35.3	Very low	34.1	Very low	153 Å²	153	106 Å²	106	80%	0.801	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-18	168.6	-83	154.9	0	0	0	112.9	T751 N753 K757	T751-L755 PolarHBondContact O-N 3.44Å; N753-L755 VanDerWaalsContact C-N 3.25Å; N753-L755 PolarHBondContact O-N 3.02Å; L755-K757 PolarHBondContact O-N 2.88Å
756	N	33.1	Very low	33.7	Very low	118 Å²	118	104.1 Å²	104.1	63%	0.631	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	33.9	177.7	-68.8	-28.2	0	0	0	113	N753 Q754 S758	N753-N756 PolarHBondContact O-N 3.05Å; N753-N756 VanDerWaalsContact O-N 3.08Å; Q754-N756 VanDerWaalsContact C-N 3.33Å; N756-S758 VanDerWaalsContact C-N 3.3Å; N756-S758 PolarHBondContact O-N 2.93Å
757	K	28.4	Very low	33.5	Very low	115 Å²	115	106.8 Å²	106.8	50%	0.5	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.8	74	-177.6	-82.8	172.6	-174.5	165	0	113.9	Q754 L755	Q754-K757 VanDerWaalsContact O-CD 3.26Å; Q754-K757 WeakPolarHBondContact O-CD 3.36Å; Q754-K757 WeakPolarHBondContact O-CE 3.42Å; Q754-K757 VanDerWaalsContact O-CG 3.25Å; Q754-K757 WeakPolarHBondContact O-CG 3.4Å; Q754-K757 VanDerWaalsContact OE1-CE 3.3Å; L755-K757 PolarHBondContact O-N 2.88Å
758	S	25.4	Very low	33.8	Very low	119 Å²	119	103.8 Å²	103.8	83%	0.832	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.6	-6.7	157	63.9	0	0	0	0	113.6	N756	N756-S758 VanDerWaalsContact C-N 3.3Å; N756-S758 PolarHBondContact O-N 2.93Å
759	M	26.5	Very low	34.2	Very low	139 Å²	139	98.8 Å²	98.8	69%	0.685	53%	0.532	S	S	*	.	S	Bend	trans	-93.9	146.9	176.8	-67.3	-170.7	72	0	0	112.8
760	I	29.4	Very low	34.4	Very low	142 Å²	142	95.8 Å²	95.8	73%	0.728	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-53.7	145	178.5	-65.4	165	0	0	0	109.7	I762	I760-I762 WeakPolarHBondContact O-CG1 3.08Å; I760-I762 PolarHBondContact O-N 3.45Å
761	P	27.8	Very low	34.6	Very low	113 Å²	113	93.7 Å²	93.7	73%	0.734	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-52.4	137.7	178.8	21.9	-35.5	0	0	0	111.6	P763	P761-P763 WeakPolarHBondContact O-CD 3.35Å
762	I	27.1	Very low	35.1	Very low	108 Å²	108	97.3 Å²	97.3	55%	0.554	53%	0.529	S	S	*	.			trans	-109.9	74.9	-173.9	-49.4	-177.1	0	0	0	111	I760 T765	I760-I762 WeakPolarHBondContact O-CG1 3.08Å; I760-I762 PolarHBondContact O-N 3.45Å; I762-T765 HydrophobicContact CG2-CG2 3.72Å; I762-T765 WeakPolarHBondContact CG2-OG1 3.5Å
763	P	30.2	Very low	35.5	Very low	92 Å²	92	94.1 Å²	94.1	60%	0.597	51%	0.508	S	S	*	.	S	Bend	trans	-77.7	164.7	143.6	36	-27.7	0	0	0	109.3	P761 T765	P761-P763 WeakPolarHBondContact O-CD 3.35Å; P763-T765 VanDerWaalsContact C-N 3.28Å; P763-T765 PolarHBondContact O-N 3.34Å
764	D	42.8	Very low	36	Very low	89 Å²	89	92.7 Å²	92.7	48%	0.476	50%	0.5	S	S	.	.	S	Bend	trans	57.3	-5.3	162.7	-73.1	-9.6	0	0	0	121.1	T766 Q767 I768	D764-T766 PolarHBondContact O-N 3.21Å; D764-Q767 HydrophobicContact CB-CB 4.19Å; D764-Q767 CarbonylContact O-C 3.58Å; D764-Q767 WeakPolarHBondContact O-CA 3.31Å; D764-Q767 WeakPolarHBondContact O-CB 3.41Å; D764-Q767 PolarHBondContact O-N 2.92Å; D764-Q767 PolarHBondContact OD1-NE2 2.89Å; D764-I768 HydrophobicContact CB-CD1 4.17Å; D764-I768 HydrophobicContact CB-CG1 4.33Å; D764-I768 WeakPolarHBondContact O-CB 3.48Å; D764-I768 VanDerWaalsContact O-CG1 3.29Å; D764-I768 WeakPolarHBondContact O-CG1 3.39Å; D764-I768 PolarHBondContact O-N 2.85Å
765	T	37.7	Very low	36.7	Very low	46 Å²	46	93 Å²	93	28%	0.282	50%	0.504	S	S	.	.	H	α-helix	trans	-57.3	-45.2	175.8	51.4	0	0	0	0	112.5	I762 P763 Q767 I768 I769	I762-T765 HydrophobicContact CG2-CG2 3.72Å; I762-T765 WeakPolarHBondContact CG2-OG1 3.5Å; P763-T765 VanDerWaalsContact C-N 3.28Å; P763-T765 PolarHBondContact O-N 3.34Å; T765-Q767 PolarHBondContact O-N 3.27Å; T765-I768 PolarHBondContact O-N 3.3Å; T765-I769 VanDerWaalsContact O-CB 3.29Å; T765-I769 WeakPolarHBondContact O-CB 3.45Å; T765-I769 WeakPolarHBondContact O-CD1 3.39Å; T765-I769 WeakPolarHBondContact O-CG1 3.4Å; T765-I769 PolarHBondContact O-N 2.79Å
766	T	39	Very low	37.2	Very low	66 Å²	66	90.6 Å²	90.6	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-30.3	172.9	-40.8	0	0	0	0	112.5	D764 L770 I798	D764-T766 PolarHBondContact O-N 3.21Å; T766-L770 HydrophobicContact CG2-CD1 4.13Å; T766-L770 WeakPolarHBondContact O-CB 3.35Å; T766-L770 WeakPolarHBondContact O-CD1 3.3Å; T766-L770 PolarHBondContact O-N 3.17Å; T766-I798 HydrophobicContact CG2-CG2 4.17Å
767	Q	40.7	Very low	37.6	Very low	114 Å²	114	86 Å²	86	53%	0.533	46%	0.462	S	S	.	.	H	α-helix	trans	-77.7	-40.7	179.3	-131.3	-175.8	131.5	0	0	111.7	D764 T765 L770 C771	D764-Q767 HydrophobicContact CB-CB 4.19Å; D764-Q767 CarbonylContact O-C 3.58Å; D764-Q767 WeakPolarHBondContact O-CA 3.31Å; D764-Q767 WeakPolarHBondContact O-CB 3.41Å; D764-Q767 PolarHBondContact O-N 2.92Å; D764-Q767 PolarHBondContact OD1-NE2 2.89Å; T765-Q767 PolarHBondContact O-N 3.27Å; Q767-L770 PolarHBondContact O-N 3.29Å; Q767-C771 WeakPolarHBondContact O-CB 3.34Å; Q767-C771 PolarHBondContact O-N 3.3Å; Q767-C771 PolarHBondContact O-SG 2.98Å
768	I	43.3	Very low	38.2	Very low	88 Å²	88	88.2 Å²	88.2	45%	0.451	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-49.1	172.3	-67.8	162.1	0	0	0	109.2	D764 T765 L770 C771 E772	D764-I768 HydrophobicContact CB-CD1 4.17Å; D764-I768 HydrophobicContact CB-CG1 4.33Å; D764-I768 WeakPolarHBondContact O-CB 3.48Å; D764-I768 VanDerWaalsContact O-CG1 3.29Å; D764-I768 WeakPolarHBondContact O-CG1 3.39Å; D764-I768 PolarHBondContact O-N 2.85Å; T765-I768 PolarHBondContact O-N 3.3Å; I768-L770 VanDerWaalsContact C-N 3.34Å; I768-L770 PolarHBondContact O-N 3.49Å; I768-C771 CarbonylContact O-C 3.48Å; I768-C771 PolarHBondContact O-N 3.21Å; I768-C771 VanDerWaalsContact O-N 3.1Å; I768-E772 HydrophobicContact CG2-CG 4.32Å; I768-E772 WeakPolarHBondContact O-CB 3.15Å; I768-E772 WeakPolarHBondContact O-CG 3.33Å; I768-E772 PolarHBondContact O-N 2.75Å
769	I	42.3	Very low	39	Very low	32 Å²	32	88.2 Å²	88.2	16%	0.164	45%	0.454	C	S	.	.	H	α-helix	trans	-59.5	-42.4	175.3	-69.8	165.3	0	0	0	110.6	T765 L773 I798 I811	T765-I769 VanDerWaalsContact O-CB 3.29Å; T765-I769 WeakPolarHBondContact O-CB 3.45Å; T765-I769 WeakPolarHBondContact O-CD1 3.39Å; T765-I769 WeakPolarHBondContact O-CG1 3.4Å; T765-I769 PolarHBondContact O-N 2.79Å; I769-L773 HydrophobicContact CG2-CD1 3.73Å; I769-L773 HydrophobicContact CG2-CG 4.29Å; I769-L773 WeakPolarHBondContact O-CB 3.13Å; I769-L773 WeakPolarHBondContact O-CG 3.42Å; I769-L773 PolarHBondContact O-N 3.49Å; I769-I798 HydrophobicContact CG2-CD1 3.97Å; I769-I811 HydrophobicContact CG2-CD1 4.35Å
770	L	40.8	Very low	39.7	Very low	61 Å²	61	83.5 Å²	83.5	32%	0.319	43%	0.431	S	S	.	.	H	α-helix	trans	-64.5	-42.3	172.7	-102.7	95.6	0	0	0	112.6	T766 Q767 I768 L773 I774	T766-L770 HydrophobicContact CG2-CD1 4.13Å; T766-L770 WeakPolarHBondContact O-CB 3.35Å; T766-L770 WeakPolarHBondContact O-CD1 3.3Å; T766-L770 PolarHBondContact O-N 3.17Å; Q767-L770 PolarHBondContact O-N 3.29Å; I768-L770 VanDerWaalsContact C-N 3.34Å; I768-L770 PolarHBondContact O-N 3.49Å; L770-L773 PolarHBondContact O-N 3.03Å; L770-I774 VanDerWaalsContact O-CB 3.32Å; L770-I774 WeakPolarHBondContact O-CB 3.49Å; L770-I774 WeakPolarHBondContact O-CD1 3.31Å; L770-I774 WeakPolarHBondContact O-CG1 3.4Å; L770-I774 PolarHBondContact O-N 3.08Å
771	C	40.7	Very low	40	Very low	58 Å²	58	79.8 Å²	79.8	39%	0.392	41%	0.413	S	S	.	.	H	α-helix	trans	-64.7	-46.4	177.9	-81.2	0	0	0	0	112.1	Q767 I768 I774 D775	Q767-C771 WeakPolarHBondContact O-CB 3.34Å; Q767-C771 PolarHBondContact O-N 3.3Å; Q767-C771 PolarHBondContact O-SG 2.98Å; I768-C771 CarbonylContact O-C 3.48Å; I768-C771 PolarHBondContact O-N 3.21Å; I768-C771 VanDerWaalsContact O-N 3.1Å; C771-I774 PolarHBondContact O-N 2.84Å; C771-D775 PolarHBondContact O-N 3.49Å
772	E	46.4	Very low	40.6	Very low	127 Å²	127	81 Å²	81	59%	0.593	41%	0.412	S	S	*	.	H	α-helix	trans	-63.9	-40.6	174.7	-71.9	-164.8	163.3	0	0	111.7	I768 I774 D775 K776	I768-E772 HydrophobicContact CG2-CG 4.32Å; I768-E772 WeakPolarHBondContact O-CB 3.15Å; I768-E772 WeakPolarHBondContact O-CG 3.33Å; I768-E772 PolarHBondContact O-N 2.75Å; E772-I774 VanDerWaalsContact C-N 3.31Å; E772-I774 PolarHBondContact O-N 2.89Å; E772-D775 PolarHBondContact O-N 3.33Å; E772-K776 WeakPolarHBondContact O-CB 3.33Å; E772-K776 WeakPolarHBondContact O-CG 3.41Å; E772-K776 PolarHBondContact O-N 2.99Å
773	L	41.4	Very low	41.1	Very low	20 Å²	20	82.8 Å²	82.8	11%	0.105	42%	0.42	C	S	.	.	H	α-helix	trans	-65.3	-33.7	173.8	-74.6	171.5	0	0	0	112.2	I769 L770 E777 L791 I794 I798	I769-L773 HydrophobicContact CG2-CD1 3.73Å; I769-L773 HydrophobicContact CG2-CG 4.29Å; I769-L773 WeakPolarHBondContact O-CB 3.13Å; I769-L773 WeakPolarHBondContact O-CG 3.42Å; I769-L773 PolarHBondContact O-N 3.49Å; L770-L773 PolarHBondContact O-N 3.03Å; L773-E777 VanDerWaalsContact O-CB 3.24Å; L773-E777 WeakPolarHBondContact O-CB 3.47Å; L773-E777 PolarHBondContact O-N 3.44Å; L773-L791 HydrophobicContact CB-CD2 4.37Å; L773-I794 HydrophobicContact CD1-CG2 3.91Å; L773-I798 HydrophobicContact CD1-CD1 3.69Å
774	I	46.4	Very low	41.2	Very low	71 Å²	71	88 Å²	88	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-73.2	-39.2	175.5	-73.2	164.9	0	0	0	111.6	L770 C771 E772 E777 R778 L791	L770-I774 VanDerWaalsContact O-CB 3.32Å; L770-I774 WeakPolarHBondContact O-CB 3.49Å; L770-I774 WeakPolarHBondContact O-CD1 3.31Å; L770-I774 WeakPolarHBondContact O-CG1 3.4Å; L770-I774 PolarHBondContact O-N 3.08Å; C771-I774 PolarHBondContact O-N 2.84Å; E772-I774 VanDerWaalsContact C-N 3.31Å; E772-I774 PolarHBondContact O-N 2.89Å; I774-E777 PolarHBondContact O-N 3.18Å; I774-R778 WeakPolarHBondContact O-CB 3.42Å; I774-R778 PolarHBondContact O-N 2.94Å; I774-L791 HydrophobicContact CG1-CD2 4.4Å
775	D	45.3	Very low	40.7	Very low	81 Å²	81	86.5 Å²	86.5	43%	0.433	43%	0.43	S	S	.	.	H	α-helix	trans	-75.1	-32.5	174.9	-92.5	-49.7	0	0	0	112.2	C771 E772 R778 E779	C771-D775 PolarHBondContact O-N 3.49Å; E772-D775 PolarHBondContact O-N 3.33Å; D775-R778 WeakPolarHBondContact O-CB 3.27Å; D775-R778 PolarHBondContact O-N 3.14Å; D775-R778 IonicContact OD1-CZ 2.78Å; D775-R778 IonicContact OD1-NH1 2.69Å; D775-R778 PolarHBondContact OD1-NH1 2.95Å; D775-E779 PolarHBondContact O-N 3.08Å
776	K	46.4	Very low	40.5	Very low	104 Å²	104	86 Å²	86	45%	0.452	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-42	166.2	-74.7	-76.3	-177.2	-172.2	0	111.7	E772 R778 E779 L780	E772-K776 WeakPolarHBondContact O-CB 3.33Å; E772-K776 WeakPolarHBondContact O-CG 3.41Å; E772-K776 PolarHBondContact O-N 2.99Å; K776-R778 VanDerWaalsContact C-N 3.26Å; K776-R778 PolarHBondContact O-N 3.23Å; K776-E779 PolarHBondContact O-N 3.42Å; K776-L780 WeakPolarHBondContact O-CB 3.48Å; K776-L780 VanDerWaalsContact O-CG 3.28Å; K776-L780 WeakPolarHBondContact O-CG 3.42Å; K776-L780 PolarHBondContact O-N 2.92Å
777	E	40.8	Very low	40.5	Very low	20 Å²	20	86 Å²	86	9%	0.093	43%	0.427	C	S	.	.	H	α-helix	trans	-60.3	-41.3	172	-174.5	-178.8	-136.4	0	0	109.8	L773 I774 E779 L780 L781 L791	L773-E777 VanDerWaalsContact O-CB 3.24Å; L773-E777 WeakPolarHBondContact O-CB 3.47Å; L773-E777 PolarHBondContact O-N 3.44Å; I774-E777 PolarHBondContact O-N 3.18Å; E777-E779 PolarHBondContact O-N 2.86Å; E777-L780 PolarHBondContact O-N 3.24Å; E777-L781 HydrophobicContact CG-CD1 3.63Å; E777-L781 HydrophobicContact CG-CG 3.82Å; E777-L781 VanDerWaalsContact O-CB 3.25Å; E777-L781 WeakPolarHBondContact O-CB 3.22Å; E777-L781 VanDerWaalsContact O-CG 3.24Å; E777-L781 WeakPolarHBondContact O-CG 3.23Å; E777-L781 PolarHBondContact O-N 3.1Å; E777-L791 HydrophobicContact CB-CD1 4.04Å; E777-L791 HydrophobicContact CB-CD2 3.92Å; E777-L791 HydrophobicContact CG-CD1 4.42Å; E777-L791 HydrophobicContact CG-CD2 4.35Å
778	R	42	Very low	40.3	Very low	162 Å²	162	84 Å²	84	61%	0.611	42%	0.422	S	S	*	.	H	α-helix	trans	-62.9	-38.6	175.8	178.1	172.7	158.9	-100.8	-13	113	I774 D775 K776 L782	I774-R778 WeakPolarHBondContact O-CB 3.42Å; I774-R778 PolarHBondContact O-N 2.94Å; D775-R778 WeakPolarHBondContact O-CB 3.27Å; D775-R778 PolarHBondContact O-N 3.14Å; D775-R778 IonicContact OD1-CZ 2.78Å; D775-R778 IonicContact OD1-NH1 2.69Å; D775-R778 PolarHBondContact OD1-NH1 2.95Å; K776-R778 VanDerWaalsContact C-N 3.26Å; K776-R778 PolarHBondContact O-N 3.23Å; R778-L782 WeakPolarHBondContact O-CD1 3.38Å; R778-L782 WeakPolarHBondContact O-CG 3.37Å; R778-L782 PolarHBondContact O-N 3.48Å
779	E	42.5	Very low	39.9	Very low	120 Å²	120	82.1 Å²	82.1	56%	0.561	41%	0.413	S	S	*	.	H	α-helix	trans	-65.9	-44.6	170	-69.9	-166.4	128.3	0	0	112.5	D775 K776 E777 L782 M783	D775-E779 PolarHBondContact O-N 3.08Å; K776-E779 PolarHBondContact O-N 3.42Å; E777-E779 PolarHBondContact O-N 2.86Å; E779-L782 WeakPolarHBondContact O-CB 3.27Å; E779-L782 PolarHBondContact O-N 3.2Å; E779-M783 PolarHBondContact O-N 3Å
780	L	39.8	Very low	39.8	Very low	39 Å²	39	83 Å²	83	20%	0.204	42%	0.421	C	S	.	.	H	α-helix	trans	-76.5	-28.2	-175.2	-68	169.1	0	0	0	113.4	K776 E777 M783 K784	K776-L780 WeakPolarHBondContact O-CB 3.48Å; K776-L780 VanDerWaalsContact O-CG 3.28Å; K776-L780 WeakPolarHBondContact O-CG 3.42Å; K776-L780 PolarHBondContact O-N 2.92Å; E777-L780 PolarHBondContact O-N 3.24Å; L780-M783 CarbonylContact O-C 3.58Å; L780-M783 WeakPolarHBondContact O-CA 3.48Å; L780-M783 WeakPolarHBondContact O-CB 3.31Å; L780-M783 PolarHBondContact O-N 3.34Å; L780-K784 PolarHBondContact O-N 2.95Å
781	L	37.5	Very low	39.7	Very low	65 Å²	65	80.9 Å²	80.9	34%	0.34	41%	0.41	S	S	.	.	H	α-helix	trans	-72.8	-32.4	171.2	-72.8	178.9	0	0	0	111.8	E777 M783 K784 L786	E777-L781 HydrophobicContact CG-CD1 3.63Å; E777-L781 HydrophobicContact CG-CG 3.82Å; E777-L781 VanDerWaalsContact O-CB 3.25Å; E777-L781 WeakPolarHBondContact O-CB 3.22Å; E777-L781 VanDerWaalsContact O-CG 3.24Å; E777-L781 WeakPolarHBondContact O-CG 3.23Å; E777-L781 PolarHBondContact O-N 3.1Å; L781-M783 PolarHBondContact O-N 3.39Å; L781-K784 PolarHBondContact O-N 2.89Å; L781-L786 WeakPolarHBondContact CD2-O 3.48Å
782	L	39.5	Very low	39.5	Very low	139 Å²	139	82 Å²	82	73%	0.728	41%	0.411	S	S	*	.	H	α-helix	trans	-62.3	-28.8	167.5	-75.9	165.9	0	0	0	111.6	R778 E779 K784	R778-L782 WeakPolarHBondContact O-CD1 3.38Å; R778-L782 WeakPolarHBondContact O-CG 3.37Å; R778-L782 PolarHBondContact O-N 3.48Å; E779-L782 WeakPolarHBondContact O-CB 3.27Å; E779-L782 PolarHBondContact O-N 3.2Å; L782-K784 VanDerWaalsContact C-N 3.29Å; L782-K784 PolarHBondContact O-N 3.45Å
783	M	36.9	Very low	39.2	Very low	144 Å²	144	79.1 Å²	79.1	71%	0.709	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	7.7	172.1	-71	-70.6	171.6	0	0	114.8	E779 L780 L781 S785	E779-M783 PolarHBondContact O-N 3Å; L780-M783 CarbonylContact O-C 3.58Å; L780-M783 WeakPolarHBondContact O-CA 3.48Å; L780-M783 WeakPolarHBondContact O-CB 3.31Å; L780-M783 PolarHBondContact O-N 3.34Å; L781-M783 PolarHBondContact O-N 3.39Å; M783-S785 VanDerWaalsContact C-N 3.3Å; M783-S785 PolarHBondContact O-N 3.43Å; M783-S785 PolarHBondContact O-OG 2.96Å
784	K	33.6	Very low	39.2	Very low	201 Å²	201	79.5 Å²	79.5	87%	0.874	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	17.1	173.7	-61.9	-178	175.5	174.9	0	116.7	L780 L781 L782	L780-K784 PolarHBondContact O-N 2.95Å; L781-K784 PolarHBondContact O-N 2.89Å; L782-K784 VanDerWaalsContact C-N 3.29Å; L782-K784 PolarHBondContact O-N 3.45Å
785	S	32.2	Very low	38.9	Very low	58 Å²	58	77.7 Å²	77.7	41%	0.406	39%	0.392	S	S	.	.			trans	-138.5	42.2	-165.9	58.7	0	0	0	0	117.3	M783	M783-S785 VanDerWaalsContact C-N 3.3Å; M783-S785 PolarHBondContact O-N 3.43Å; M783-S785 PolarHBondContact O-OG 2.96Å
786	L	33.2	Very low	38.7	Very low	35 Å²	35	78.9 Å²	78.9	18%	0.183	40%	0.395	C	S	.	.			trans	-143	135.6	161.4	-142.5	72.3	0	0	0	113.3	L781 I818	L781-L786 WeakPolarHBondContact CD2-O 3.48Å; L786-I818 HydrophobicContact CD1-CD1 3.93Å; L786-I818 HydrophobicContact CD1-CG1 4.38Å
787	P	39.5	Very low	38.4	Very low	68 Å²	68	76.2 Å²	76.2	44%	0.442	39%	0.39	S	S	.	.			trans	-77.9	128	168.8	-10.1	27.3	0	0	0	110.7	L789 S790	P787-L789 PolarHBondContact O-N 3.28Å; P787-S790 WeakPolarHBondContact O-CB 3.35Å; P787-S790 PolarHBondContact O-N 2.98Å; P787-S790 PolarHBondContact O-OG 3.33Å
788	T	36.9	Very low	38.4	Very low	70 Å²	70	76 Å²	76	43%	0.429	39%	0.389	S	S	.	.	H	α-helix	trans	-53.7	-24.1	-179.4	-42.7	0	0	0	0	114.3	S790 L791 M792	T788-S790 PolarHBondContact O-N 3.31Å; T788-L791 PolarHBondContact O-N 3.31Å; T788-M792 PolarHBondContact O-N 3.06Å
789	L	33.8	Very low	38.5	Very low	50 Å²	50	76 Å²	76	26%	0.262	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-24.9	175.6	-137.4	77.5	0	0	0	113.3	P787 M792 H793 M956	P787-L789 PolarHBondContact O-N 3.28Å; L789-M792 HydrophobicContact CD1-CE 3.66Å; L789-M792 HydrophobicContact CG-CE 4.17Å; L789-M792 PolarHBondContact O-N 3.09Å; L789-H793 PolarHBondContact O-N 3.34Å; L789-H793 VanDerWaalsContact O-N 3.1Å; L789-M956 HydrophobicContact CB-CE 4.01Å; L789-M956 HydrophobicContact CB-SD 4.28Å; L789-M956 HydrophobicContact CD2-CE 4.06Å; L789-M956 HydrophobicContact CD2-CG 3.64Å; L789-M956 HydrophobicContact CD2-SD 3.56Å; L789-M956 VanDerWaalsContact CD2-SD 3.56Å
790	S	40.9	Very low	38.7	Very low	49 Å²	49	76.1 Å²	76.1	34%	0.343	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-41.5	176.4	-66.6	0	0	0	0	111.9	P787 T788 H793 I794	P787-S790 WeakPolarHBondContact O-CB 3.35Å; P787-S790 PolarHBondContact O-N 2.98Å; P787-S790 PolarHBondContact O-OG 3.33Å; T788-S790 PolarHBondContact O-N 3.31Å; S790-H793 PolarHBondContact O-N 2.97Å; S790-I794 VanDerWaalsContact O-CG1 3.32Å; S790-I794 WeakPolarHBondContact O-CG1 3.42Å; S790-I794 PolarHBondContact O-N 3.32Å
791	L	39.3	Very low	38.9	Very low	17 Å²	17	78.3 Å²	78.3	9%	0.089	41%	0.406	C	S	.	.	H	α-helix	trans	-67.8	-38.8	176.6	-137.8	87.7	0	0	0	111.4	L773 I774 E777 T788 H793 I794 C795	L773-L791 HydrophobicContact CB-CD2 4.37Å; I774-L791 HydrophobicContact CG1-CD2 4.4Å; E777-L791 HydrophobicContact CB-CD1 4.04Å; E777-L791 HydrophobicContact CB-CD2 3.92Å; E777-L791 HydrophobicContact CG-CD1 4.42Å; E777-L791 HydrophobicContact CG-CD2 4.35Å; T788-L791 PolarHBondContact O-N 3.31Å; L791-H793 PolarHBondContact O-N 3.06Å; L791-I794 WeakPolarHBondContact O-CB 3.5Å; L791-I794 PolarHBondContact O-N 3.34Å; L791-I794 VanDerWaalsContact O-N 3.07Å; L791-C795 PolarHBondContact O-N 3.02Å; L791-C795 PolarHBondContact O-SG 2.89Å; L791-C795 VanDerWaalsContact O-SG 3.36Å
792	M	36.4	Very low	39.3	Very low	82 Å²	82	81 Å²	81	40%	0.404	43%	0.428	S	S	.	.	H	α-helix	trans	-60.3	-44.3	176.9	-159.5	172	77.2	0	0	111.7	T788 L789 I794 C795 Q796	T788-M792 PolarHBondContact O-N 3.06Å; L789-M792 HydrophobicContact CD1-CE 3.66Å; L789-M792 HydrophobicContact CG-CE 4.17Å; L789-M792 PolarHBondContact O-N 3.09Å; M792-I794 PolarHBondContact O-N 3.11Å; M792-C795 PolarHBondContact O-N 2.95Å; M792-Q796 WeakPolarHBondContact O-CB 3.42Å; M792-Q796 WeakPolarHBondContact O-CG 3.49Å; M792-Q796 PolarHBondContact O-N 3.13Å; M792-Q796 PolarHBondContact O-OE1 2.88Å
793	H	38.3	Very low	39.7	Very low	66 Å²	66	79 Å²	79	31%	0.306	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-39.6	171.1	-95.6	-111.1	0	0	0	112.8	L789 S790 L791 Q796 S797	L789-H793 PolarHBondContact O-N 3.34Å; L789-H793 VanDerWaalsContact O-N 3.1Å; S790-H793 PolarHBondContact O-N 2.97Å; L791-H793 PolarHBondContact O-N 3.06Å; H793-Q796 PolarHBondContact O-N 2.94Å; H793-S797 WeakPolarHBondContact O-CB 3.5Å; H793-S797 PolarHBondContact O-N 3.38Å; H793-S797 PolarHBondContact O-OG 2.92Å
794	I	41.7	Very low	40.2	Very low	29 Å²	29	75.9 Å²	75.9	15%	0.149	40%	0.401	C	S	.	.	H	α-helix	trans	-63.7	-48.7	177.7	-70.9	162.6	0	0	0	110.1	L773 S790 L791 M792 Q796 S797 I798 L814	L773-I794 HydrophobicContact CD1-CG2 3.91Å; S790-I794 VanDerWaalsContact O-CG1 3.32Å; S790-I794 WeakPolarHBondContact O-CG1 3.42Å; S790-I794 PolarHBondContact O-N 3.32Å; L791-I794 WeakPolarHBondContact O-CB 3.5Å; L791-I794 PolarHBondContact O-N 3.34Å; L791-I794 VanDerWaalsContact O-N 3.07Å; M792-I794 PolarHBondContact O-N 3.11Å; I794-Q796 VanDerWaalsContact C-N 3.32Å; I794-Q796 PolarHBondContact O-N 2.95Å; I794-S797 WeakPolarHBondContact O-CA 3.36Å; I794-S797 PolarHBondContact O-N 3.08Å; I794-I798 HydrophobicContact CG2-CD1 3.71Å; I794-I798 HydrophobicContact CG2-CG1 4.28Å; I794-I798 WeakPolarHBondContact O-CG1 3.45Å; I794-I798 PolarHBondContact O-N 3.12Å; I794-L814 HydrophobicContact CD1-CD1 3.9Å; I794-L814 HydrophobicContact CG1-CD1 4.12Å
795	C	40	Very low	41	Very low	32 Å²	32	71.9 Å²	71.9	22%	0.216	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-37.6	176.9	-64.6	0	0	0	0	113	L791 M792 S797	L791-C795 PolarHBondContact O-N 3.02Å; L791-C795 PolarHBondContact O-SG 2.89Å; L791-C795 VanDerWaalsContact O-SG 3.36Å; M792-C795 PolarHBondContact O-N 2.95Å; C795-S797 VanDerWaalsContact C-N 3.31Å
796	Q	41.7	Very low	42	Very low	107 Å²	107	72.3 Å²	72.3	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-73	-20.2	173.2	-69.5	174.6	-67.6	0	0	113.2	M792 H793 I794 N800	M792-Q796 WeakPolarHBondContact O-CB 3.42Å; M792-Q796 WeakPolarHBondContact O-CG 3.49Å; M792-Q796 PolarHBondContact O-N 3.13Å; M792-Q796 PolarHBondContact O-OE1 2.88Å; H793-Q796 PolarHBondContact O-N 2.94Å; I794-Q796 VanDerWaalsContact C-N 3.32Å; I794-Q796 PolarHBondContact O-N 2.95Å; Q796-N800 PolarHBondContact O-ND2 3.33Å
797	S	40.4	Very low	42.7	Very low	48 Å²	48	71.6 Å²	71.6	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-88.8	-34	177.4	-53.9	0	0	0	0	112.6	H793 I794 C795 H799 N800 Y801	H793-S797 WeakPolarHBondContact O-CB 3.5Å; H793-S797 PolarHBondContact O-N 3.38Å; H793-S797 PolarHBondContact O-OG 2.92Å; I794-S797 WeakPolarHBondContact O-CA 3.36Å; I794-S797 PolarHBondContact O-N 3.08Å; C795-S797 VanDerWaalsContact C-N 3.31Å; S797-H799 PolarHBondContact O-N 3.23Å; S797-N800 PolarHBondContact O-N 2.8Å; S797-Y801 WeakPolarHBondContact O-CD2 3.39Å
798	I	41.2	Very low	43.3	Very low	15 Å²	15	72 Å²	72	8%	0.077	38%	0.377	C	S	.	.	H	α-helix	trans	-55.9	-37	178.4	-76.9	165.3	0	0	0	111.6	T766 I769 L773 I794 N800 I807	T766-I798 HydrophobicContact CG2-CG2 4.17Å; I769-I798 HydrophobicContact CG2-CD1 3.97Å; L773-I798 HydrophobicContact CD1-CD1 3.69Å; I794-I798 HydrophobicContact CG2-CD1 3.71Å; I794-I798 HydrophobicContact CG2-CG1 4.28Å; I794-I798 WeakPolarHBondContact O-CG1 3.45Å; I794-I798 PolarHBondContact O-N 3.12Å; I798-N800 PolarHBondContact O-N 3.18Å; I798-N800 VanDerWaalsContact O-N 3.15Å; I798-I807 HydrophobicContact CG1-CG2 4.13Å; I798-I807 HydrophobicContact CG2-CD1 4.46Å
799	H	44.4	Very low	44.3	Very low	162 Å²	162	74.1 Å²	74.1	75%	0.75	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9	175.7	-98.3	-75.4	0	0	0	115.3	S797	S797-H799 PolarHBondContact O-N 3.23Å
800	N	44.8	Very low	45.1	Very low	123 Å²	123	75.7 Å²	75.7	66%	0.658	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	6.4	-173.8	-67	-68.2	0	0	0	114	Q796 S797 I798	Q796-N800 PolarHBondContact O-ND2 3.33Å; S797-N800 PolarHBondContact O-N 2.8Å; I798-N800 PolarHBondContact O-N 3.18Å; I798-N800 VanDerWaalsContact O-N 3.15Å
801	Y	44.2	Very low	45.3	Very low	85 Å²	85	75 Å²	75	33%	0.333	38%	0.378	S	S	.	.			trans	-112.2	118.9	177.5	-73	-67.3	0	0	0	111.2	S797 N803 I806 I807 Q810	S797-Y801 WeakPolarHBondContact O-CD2 3.39Å; Y801-N803 VanDerWaalsContact C-N 3.31Å; Y801-N803 PolarHBondContact O-N 3.44Å; Y801-I806 HydrophobicContact CD1-CG2 3.83Å; Y801-I806 HydrophobicContact CE1-CG2 4.05Å; Y801-I806 HydrophobicContact CG-CG2 4.44Å; Y801-I807 HydrophobicContact CD2-CG1 4.28Å; Y801-I807 HydrophobicContact CG-CG1 4.23Å; Y801-Q810 PolarHBondContact OH-NE2 2.88Å; Y801-Q810 PolarHBondContact OH-OE1 3.48Å
802	P	45.8	Very low	45.9	Very low	122 Å²	122	79.9 Å²	79.9	79%	0.792	40%	0.4	S	S	*	.	S	Bend	trans	-78.5	-11	-178.7	31.4	-36.1	0	0	0	114.1
803	N	48.8	Very low	46.6	Very low	95 Å²	95	79.3 Å²	79.3	51%	0.508	41%	0.405	S	S	.	.			trans	-115.6	118.7	-179.3	-88.7	-28.5	0	0	0	111.3	Y801 E805 I806 I807	Y801-N803 VanDerWaalsContact C-N 3.31Å; Y801-N803 PolarHBondContact O-N 3.44Å; N803-E805 VanDerWaalsContact C-N 3.26Å; N803-E805 PolarHBondContact O-N 3.41Å; N803-I806 HydrophobicContact CB-CB 4.31Å; N803-I806 HydrophobicContact CB-CD1 3.9Å; N803-I806 HydrophobicContact CB-CG1 3.85Å; N803-I806 WeakPolarHBondContact O-CB 3.49Å; N803-I806 PolarHBondContact O-N 3.04Å; N803-I807 PolarHBondContact O-N 3.43Å
804	E	46.4	Very low	46.8	Very low	79 Å²	79	79.7 Å²	79.7	37%	0.369	41%	0.408	S	S	.	.	H	α-helix	trans	-54.8	-39.9	174.6	-176.6	172.6	-159.8	0	0	112.1	I806 I807 I808	E804-I806 VanDerWaalsContact C-N 3.25Å; E804-I806 PolarHBondContact O-N 3.27Å; E804-I807 WeakPolarHBondContact O-CB 3.3Å; E804-I807 PolarHBondContact O-N 3.03Å; E804-I807 VanDerWaalsContact O-N 3.08Å; E804-I808 HydrophobicContact CG-CD1 3.89Å; E804-I808 HydrophobicContact CG-CG1 4.4Å; E804-I808 WeakPolarHBondContact O-CG1 3.28Å; E804-I808 PolarHBondContact O-N 3.1Å
805	E	50.9	Low	46.9	Very low	118 Å²	118	81.4 Å²	81.4	55%	0.551	42%	0.417	S	S	*	.	H	α-helix	trans	-60.6	-32.5	177.5	-159.5	-163.1	176.8	0	0	112.9	N803 K809	N803-E805 VanDerWaalsContact C-N 3.26Å; N803-E805 PolarHBondContact O-N 3.41Å; E805-K809 HydrophobicContact CG-CD 4.23Å; E805-K809 VanDerWaalsContact O-CB 3.29Å; E805-K809 WeakPolarHBondContact O-CB 3.43Å; E805-K809 VanDerWaalsContact O-CG 3.28Å; E805-K809 WeakPolarHBondContact O-CG 3.39Å; E805-K809 PolarHBondContact O-N 2.94Å; E805-K809 VanDerWaalsContact OE1-CE 3.3Å; E805-K809 WeakPolarHBondContact OE1-CE 3.31Å; E805-K809 IonicContact OE1-NZ 3.11Å; E805-K809 PolarHBondContact OE1-NZ 2.91Å
806	I	53.8	Low	47.3	Very low	66 Å²	66	87 Å²	87	34%	0.338	44%	0.435	S	S	.	.	H	α-helix	trans	-74.3	-39.3	176.1	-60.2	-179.5	0	0	0	110.1	Y801 N803 E804 Q810	Y801-I806 HydrophobicContact CD1-CG2 3.83Å; Y801-I806 HydrophobicContact CE1-CG2 4.05Å; Y801-I806 HydrophobicContact CG-CG2 4.44Å; N803-I806 HydrophobicContact CB-CB 4.31Å; N803-I806 HydrophobicContact CB-CD1 3.9Å; N803-I806 HydrophobicContact CB-CG1 3.85Å; N803-I806 WeakPolarHBondContact O-CB 3.49Å; N803-I806 PolarHBondContact O-N 3.04Å; E804-I806 VanDerWaalsContact C-N 3.25Å; E804-I806 PolarHBondContact O-N 3.27Å; I806-Q810 HydrophobicContact CG2-CG 4.49Å; I806-Q810 WeakPolarHBondContact O-CB 3.25Å; I806-Q810 WeakPolarHBondContact O-CG 3.28Å; I806-Q810 PolarHBondContact O-N 3.39Å
807	I	47	Very low	47.4	Very low	20 Å²	20	83.5 Å²	83.5	10%	0.103	42%	0.422	C	S	.	.	H	α-helix	trans	-61.1	-50.1	175	-63	170.6	0	0	0	109.7	I798 Y801 N803 E804 Q810 I811	I798-I807 HydrophobicContact CG1-CG2 4.13Å; I798-I807 HydrophobicContact CG2-CD1 4.46Å; Y801-I807 HydrophobicContact CD2-CG1 4.28Å; Y801-I807 HydrophobicContact CG-CG1 4.23Å; N803-I807 PolarHBondContact O-N 3.43Å; E804-I807 WeakPolarHBondContact O-CB 3.3Å; E804-I807 PolarHBondContact O-N 3.03Å; E804-I807 VanDerWaalsContact O-N 3.08Å; I807-Q810 PolarHBondContact O-N 3.41Å; I807-I811 HydrophobicContact CG2-CD1 3.73Å; I807-I811 HydrophobicContact CG2-CG1 4.48Å; I807-I811 WeakPolarHBondContact O-CB 3.38Å; I807-I811 VanDerWaalsContact O-CG1 3.31Å; I807-I811 WeakPolarHBondContact O-CG1 3.38Å; I807-I811 PolarHBondContact O-N 2.97Å
808	I	52.6	Low	47.3	Very low	78 Å²	78	83.7 Å²	83.7	40%	0.4	42%	0.419	S	S	.	.	H	α-helix	trans	-59.1	-53.4	177.6	-67.1	170.9	0	0	0	110.3	E804 Q810 I811 E812	E804-I808 HydrophobicContact CG-CD1 3.89Å; E804-I808 HydrophobicContact CG-CG1 4.4Å; E804-I808 WeakPolarHBondContact O-CG1 3.28Å; E804-I808 PolarHBondContact O-N 3.1Å; I808-Q810 VanDerWaalsContact C-N 3.28Å; I808-Q810 PolarHBondContact O-N 2.83Å; I808-I811 PolarHBondContact O-N 3.25Å; I808-I811 VanDerWaalsContact O-N 3.08Å; I808-E812 HydrophobicContact CG2-CG 4.19Å; I808-E812 WeakPolarHBondContact O-CB 3.5Å; I808-E812 WeakPolarHBondContact O-CG 3.5Å; I808-E812 PolarHBondContact O-N 3.33Å
809	K	58.3	Low	47.1	Very low	113 Å²	113	89.2 Å²	89.2	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-60.3	-33.6	179.8	-76.9	171	171.7	171.7	0	113.4	E805 S813	E805-K809 HydrophobicContact CG-CD 4.23Å; E805-K809 VanDerWaalsContact O-CB 3.29Å; E805-K809 WeakPolarHBondContact O-CB 3.43Å; E805-K809 VanDerWaalsContact O-CG 3.28Å; E805-K809 WeakPolarHBondContact O-CG 3.39Å; E805-K809 PolarHBondContact O-N 2.94Å; E805-K809 VanDerWaalsContact OE1-CE 3.3Å; E805-K809 WeakPolarHBondContact OE1-CE 3.31Å; E805-K809 IonicContact OE1-NZ 3.11Å; E805-K809 PolarHBondContact OE1-NZ 2.91Å; K809-S813 WeakPolarHBondContact O-CB 3.47Å; K809-S813 PolarHBondContact O-N 2.94Å
810	Q	49.7	Very low	47.1	Very low	84 Å²	84	87.3 Å²	87.3	39%	0.393	44%	0.435	S	S	.	.	H	α-helix	trans	-72.5	-40.6	173.5	-74.8	-166.6	23.4	0	0	112.5	Y801 I806 I807 I808 S813 L814	Y801-Q810 PolarHBondContact OH-NE2 2.88Å; Y801-Q810 PolarHBondContact OH-OE1 3.48Å; I806-Q810 HydrophobicContact CG2-CG 4.49Å; I806-Q810 WeakPolarHBondContact O-CB 3.25Å; I806-Q810 WeakPolarHBondContact O-CG 3.28Å; I806-Q810 PolarHBondContact O-N 3.39Å; I807-Q810 PolarHBondContact O-N 3.41Å; I808-Q810 VanDerWaalsContact C-N 3.28Å; I808-Q810 PolarHBondContact O-N 2.83Å; Q810-S813 PolarHBondContact O-N 2.94Å; Q810-L814 WeakPolarHBondContact O-CB 3.5Å; Q810-L814 PolarHBondContact O-N 3.27Å
811	I	45.9	Very low	46.7	Very low	35 Å²	35	90.4 Å²	90.4	18%	0.179	44%	0.438	C	S	.	.	H	α-helix	trans	-63.3	-46.2	174.9	-71.3	171.5	0	0	0	110.5	I769 I807 I808 S813 L814 I815	I769-I811 HydrophobicContact CG2-CD1 4.35Å; I807-I811 HydrophobicContact CG2-CD1 3.73Å; I807-I811 HydrophobicContact CG2-CG1 4.48Å; I807-I811 WeakPolarHBondContact O-CB 3.38Å; I807-I811 VanDerWaalsContact O-CG1 3.31Å; I807-I811 WeakPolarHBondContact O-CG1 3.38Å; I807-I811 PolarHBondContact O-N 2.97Å; I808-I811 PolarHBondContact O-N 3.25Å; I808-I811 VanDerWaalsContact O-N 3.08Å; I811-S813 PolarHBondContact O-N 3.49Å; I811-L814 WeakPolarHBondContact O-CB 3.29Å; I811-L814 PolarHBondContact O-N 2.88Å; I811-I815 HydrophobicContact CG2-CD1 3.66Å; I811-I815 HydrophobicContact CG2-CG1 4.38Å; I811-I815 WeakPolarHBondContact O-CB 3.48Å; I811-I815 VanDerWaalsContact O-CG1 3.28Å; I811-I815 WeakPolarHBondContact O-CG1 3.36Å; I811-I815 PolarHBondContact O-N 2.6Å
812	E	52.3	Low	46	Very low	119 Å²	119	93.5 Å²	93.5	56%	0.556	46%	0.455	S	S	*	.	H	α-helix	trans	-59.7	-45.2	174.5	-71.7	-175.5	139.6	0	0	112	I808 L814 I815 Y816	I808-E812 HydrophobicContact CG2-CG 4.19Å; I808-E812 WeakPolarHBondContact O-CB 3.5Å; I808-E812 WeakPolarHBondContact O-CG 3.5Å; I808-E812 PolarHBondContact O-N 3.33Å; E812-L814 VanDerWaalsContact C-N 3.32Å; E812-L814 PolarHBondContact O-N 2.91Å; E812-I815 PolarHBondContact O-N 2.9Å; E812-Y816 WeakPolarHBondContact O-CB 3.44Å; E812-Y816 PolarHBondContact O-N 3.43Å
813	S	51.1	Low	45.3	Very low	70 Å²	70	93.2 Å²	93.2	49%	0.49	45%	0.453	S	S	.	.	H	α-helix	trans	-63.7	-35.4	176.8	-176.3	0	0	0	0	112.8	K809 Q810 I811 S817	K809-S813 WeakPolarHBondContact O-CB 3.47Å; K809-S813 PolarHBondContact O-N 2.94Å; Q810-S813 PolarHBondContact O-N 2.94Å; I811-S813 PolarHBondContact O-N 3.49Å; S813-S817 WeakPolarHBondContact O-CB 3.43Å; S813-S817 PolarHBondContact O-N 3.16Å; S813-S817 PolarHBondContact O-OG 3.36Å
814	L	42.5	Very low	44.3	Very low	73 Å²	73	97.2 Å²	97.2	38%	0.382	47%	0.468	S	S	.	.	H	α-helix	trans	-67	-50.6	172.1	-107.7	158	0	0	0	111.6	I794 Q810 I811 E812 Y816 S817 I818	I794-L814 HydrophobicContact CD1-CD1 3.9Å; I794-L814 HydrophobicContact CG1-CD1 4.12Å; Q810-L814 WeakPolarHBondContact O-CB 3.5Å; Q810-L814 PolarHBondContact O-N 3.27Å; I811-L814 WeakPolarHBondContact O-CB 3.29Å; I811-L814 PolarHBondContact O-N 2.88Å; E812-L814 VanDerWaalsContact C-N 3.32Å; E812-L814 PolarHBondContact O-N 2.91Å; L814-Y816 PolarHBondContact O-N 3.2Å; L814-S817 CarbonylContact O-C 3.55Å; L814-S817 WeakPolarHBondContact O-CB 3.48Å; L814-S817 PolarHBondContact O-N 3.25Å; L814-I818 HydrophobicContact CD2-CD1 4.19Å; L814-I818 WeakPolarHBondContact O-CB 3.47Å; L814-I818 WeakPolarHBondContact O-CD1 3.38Å; L814-I818 VanDerWaalsContact O-CG1 3.25Å; L814-I818 WeakPolarHBondContact O-CG1 3.41Å; L814-I818 PolarHBondContact O-N 2.96Å
815	I	43.5	Very low	43.7	Very low	66 Å²	66	99.1 Å²	99.1	34%	0.338	49%	0.487	S	S	.	.	H	α-helix	trans	-59.5	-47.5	178	-71.6	170.6	0	0	0	110.1	I811 E812 S817 I818 H819	I811-I815 HydrophobicContact CG2-CD1 3.66Å; I811-I815 HydrophobicContact CG2-CG1 4.38Å; I811-I815 WeakPolarHBondContact O-CB 3.48Å; I811-I815 VanDerWaalsContact O-CG1 3.28Å; I811-I815 WeakPolarHBondContact O-CG1 3.36Å; I811-I815 PolarHBondContact O-N 2.6Å; E812-I815 PolarHBondContact O-N 2.9Å; I815-S817 PolarHBondContact O-N 2.88Å; I815-I818 PolarHBondContact O-N 2.97Å; I815-I818 VanDerWaalsContact O-N 3.17Å; I815-H819 PolarHBondContact O-CD2 3.19Å; I815-H819 VanDerWaalsContact O-CD2 3.27Å; I815-H819 PolarHBondContact O-N 2.63Å
816	Y	48	Very low	42.5	Very low	149 Å²	149	102.2 Å²	102.2	58%	0.584	50%	0.502	S	S	*	.	H	α-helix	trans	-59.5	-46.3	175.3	-174.8	-93.5	0	0	0	111.4	E812 L814 I818 H819 H820	E812-Y816 WeakPolarHBondContact O-CB 3.44Å; E812-Y816 PolarHBondContact O-N 3.43Å; L814-Y816 PolarHBondContact O-N 3.2Å; Y816-I818 VanDerWaalsContact C-N 3.3Å; Y816-I818 PolarHBondContact O-N 3.45Å; Y816-H819 PolarHBondContact O-N 3.45Å; Y816-H820 AromaticContact CD2-CE1 3.44Å; Y816-H820 VanDerWaalsContact CD2-CE1 3.44Å; Y816-H820 WeakPolarHBondContact CD2-CE1 3.49Å; Y816-H820 AromaticContact CD2-ND1 3.58Å; Y816-H820 AromaticContact CE2-CE1 3.27Å; Y816-H820 WeakPolarHBondContact CE2-CE1 3.23Å; Y816-H820 AromaticContact CE2-ND1 3.62Å; Y816-H820 AromaticContact CE2-NE2 3.77Å; Y816-H820 AromaticContact CG-ND1 3.82Å; Y816-H820 AromaticContact CZ-CE1 3.87Å; Y816-H820 AromaticContact CZ-ND1 3.9Å; Y816-H820 WeakPolarHBondContact O-CB 3.15Å; Y816-H820 PolarHBondContact O-N 2.95Å; Y816-H820 PolarHBondContact O-ND1 3.03Å
817	S	43.1	Very low	41.5	Very low	34 Å²	34	107.7 Å²	107.7	24%	0.238	53%	0.526	C	S	.	.	H	α-helix	trans	-61.9	-32.8	175.2	-75.6	0	0	0	0	113.5	S813 L814 I815 R821	S813-S817 WeakPolarHBondContact O-CB 3.43Å; S813-S817 PolarHBondContact O-N 3.16Å; S813-S817 PolarHBondContact O-OG 3.36Å; L814-S817 CarbonylContact O-C 3.55Å; L814-S817 WeakPolarHBondContact O-CB 3.48Å; L814-S817 PolarHBondContact O-N 3.25Å; I815-S817 PolarHBondContact O-N 2.88Å; S817-R821 VanDerWaalsContact O-CB 3.3Å; S817-R821 WeakPolarHBondContact O-CB 3.5Å; S817-R821 WeakPolarHBondContact O-CD 3.45Å; S817-R821 WeakPolarHBondContact O-CG 3.34Å; S817-R821 PolarHBondContact O-NE 3.28Å
818	I	38.5	Very low	40.5	Very low	52 Å²	52	113.6 Å²	113.6	27%	0.267	55%	0.553	S	S	.	*	H	α-helix	trans	-74	-48.4	177.3	-71.4	161.9	0	0	0	109.9	L786 L814 I815 Y816 H820	L786-I818 HydrophobicContact CD1-CD1 3.93Å; L786-I818 HydrophobicContact CD1-CG1 4.38Å; L814-I818 HydrophobicContact CD2-CD1 4.19Å; L814-I818 WeakPolarHBondContact O-CB 3.47Å; L814-I818 WeakPolarHBondContact O-CD1 3.38Å; L814-I818 VanDerWaalsContact O-CG1 3.25Å; L814-I818 WeakPolarHBondContact O-CG1 3.41Å; L814-I818 PolarHBondContact O-N 2.96Å; I815-I818 PolarHBondContact O-N 2.97Å; I815-I818 VanDerWaalsContact O-N 3.17Å; Y816-I818 VanDerWaalsContact C-N 3.3Å; Y816-I818 PolarHBondContact O-N 3.45Å; I818-H820 VanDerWaalsContact C-N 3.31Å; I818-H820 PolarHBondContact O-N 2.69Å
819	H	37.6	Very low	39.5	Very low	131 Å²	131	118.1 Å²	118.1	61%	0.606	57%	0.572	S	S	*	*	H	α-helix	trans	-65.6	-27.6	-179.7	-80.4	-74	0	0	0	114.2	I815 Y816	I815-H819 PolarHBondContact O-CD2 3.19Å; I815-H819 VanDerWaalsContact O-CD2 3.27Å; I815-H819 PolarHBondContact O-N 2.63Å; Y816-H819 PolarHBondContact O-N 3.45Å
820	H	45.4	Very low	38.1	Very low	121 Å²	121	118.5 Å²	118.5	56%	0.56	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	3.1	-174.9	-64.6	81.9	0	0	0	115.2	Y816 I818	Y816-H820 AromaticContact CD2-CE1 3.44Å; Y816-H820 VanDerWaalsContact CD2-CE1 3.44Å; Y816-H820 WeakPolarHBondContact CD2-CE1 3.49Å; Y816-H820 AromaticContact CD2-ND1 3.58Å; Y816-H820 AromaticContact CE2-CE1 3.27Å; Y816-H820 WeakPolarHBondContact CE2-CE1 3.23Å; Y816-H820 AromaticContact CE2-ND1 3.62Å; Y816-H820 AromaticContact CE2-NE2 3.77Å; Y816-H820 AromaticContact CG-ND1 3.82Å; Y816-H820 AromaticContact CZ-CE1 3.87Å; Y816-H820 AromaticContact CZ-ND1 3.9Å; Y816-H820 WeakPolarHBondContact O-CB 3.15Å; Y816-H820 PolarHBondContact O-N 2.95Å; Y816-H820 PolarHBondContact O-ND1 3.03Å; I818-H820 VanDerWaalsContact C-N 3.31Å; I818-H820 PolarHBondContact O-N 2.69Å
821	R	34.8	Very low	37.1	Very low	189 Å²	189	121.9 Å²	121.9	71%	0.713	60%	0.6	S	S	*	*	S	Bend	trans	-94.6	3.7	-178.6	-82.8	176	-162.8	-112.4	4	115.9	S817 P823	S817-R821 VanDerWaalsContact O-CB 3.3Å; S817-R821 WeakPolarHBondContact O-CB 3.5Å; S817-R821 WeakPolarHBondContact O-CD 3.45Å; S817-R821 WeakPolarHBondContact O-CG 3.34Å; S817-R821 PolarHBondContact O-NE 3.28Å; R821-P823 VanDerWaalsContact O-CD 3.27Å; R821-P823 WeakPolarHBondContact O-CD 3.22Å
822	H	30	Very low	36.1	Very low	149 Å²	149	124.6 Å²	124.6	69%	0.69	62%	0.622	S	S	*	*			trans	-111.4	89.5	175.3	-84.3	-69.4	0	0	0	112.2	H824	H822-H824 PolarHBondContact O-N 2.91Å
823	P	31.2	Very low	34.9	Very low	116 Å²	116	127 Å²	127	75%	0.753	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-67.5	127.3	162.9	29.3	-32.6	0	0	0	109.5	R821 P825	R821-P823 VanDerWaalsContact O-CD 3.27Å; R821-P823 WeakPolarHBondContact O-CD 3.22Å; P823-P825 WeakPolarHBondContact O-CD 3.37Å
824	H	27.5	Very low	33.7	Very low	179 Å²	179	132.3 Å²	132.3	83%	0.829	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-73.9	126.6	175.2	-117	-85.9	0	0	0	110.2	H822	H822-H824 PolarHBondContact O-N 2.91Å
825	P	33	Very low	33	Very low	119 Å²	119	137.4 Å²	137.4	77%	0.773	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-65.3	135.3	165.6	-17.9	32	0	0	0	110	P823	P823-P825 WeakPolarHBondContact O-CD 3.37Å
826	Q	26.6	Very low	32.1	Very low	184 Å²	184	142.9 Å²	142.9	86%	0.86	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-87.1	142	174.7	-64.8	173.5	-48.6	0	0	110.5
827	H	31.9	Very low	31.1	Very low	181 Å²	181	144.5 Å²	144.5	84%	0.838	69%	0.689	S	S	*	*			trans	-163.8	157.6	141.6	-106.5	-56.6	0	0	0	109.9
828	E	26.5	Very low	30.4	Very low	144 Å²	144	149.3 Å²	149.3	67%	0.673	71%	0.712	S	S	*	*			trans	-86.7	140.6	-164.9	-51.7	95.6	131.2	0	0	113.6
829	H	32	Very low	29.7	Very low	172 Å²	172	156 Å²	156	80%	0.796	74%	0.739	S	S	*	*				-172.6	160.3	99.3	-105.2	-74.8	0	0	0	113.2
830	D	28.3	Very low	29.3	Very low	121 Å²	121	155 Å²	155	65%	0.647	74%	0.744	S	S	*	*			trans	-39.6	139	-175.8	-49.1	-79.3	0	0	0	116
831	N	29.2	Very low	28.5	Very low	155 Å²	155	154.9 Å²	154.9	83%	0.829	75%	0.752	S	S	*	*				-158.2	161.3	62.8	-101.8	-82	0	0	0	116.1
832	S	24.8	Very low	28	Very low	92 Å²	92	151.2 Å²	151.2	64%	0.643	76%	0.756	S	S	*	*			trans	-72.1	145.3	-173.7	64.9	0	0	0	0	116.6
833	K	28.1	Very low	27.8	Very low	170 Å²	170	152.1 Å²	152.1	74%	0.739	76%	0.763	S	S	*	*				170.2	126.2	110.9	-92.9	164.6	-174	173.8	0	115.4
834	Y	25.3	Very low	27.5	Very low	181 Å²	181	152.3 Å²	152.3	71%	0.71	77%	0.765	S	S	*	*			trans	55.5	138	148.3	-64.8	-60.8	0	0	0	120.8
835	Y	27.4	Very low	27.4	Very low	181 Å²	181	148.9 Å²	148.9	71%	0.71	76%	0.761	S	S	*	*			cis	-144.6	162.4	-9.8	-78.6	-81.9	0	0	0	106.9
836	K	24.2	Very low	27.1	Very low	180 Å²	180	150.5 Å²	150.5	78%	0.783	76%	0.763	S	S	*	*			cis	91.9	70.7	8.8	-156.2	-157.3	174.1	-174.6	0	119.4
837	F	27.2	Very low	27.3	Very low	183 Å²	183	149.7 Å²	149.7	80%	0.803	76%	0.759	S	S	*	*			trans	-161.6	158.6	157.7	-94.4	-81.1	0	0	0	109.2
838	N	29.1	Very low	27	Very low	135 Å²	135	146.7 Å²	146.7	72%	0.722	75%	0.749	S	S	*	*				-153.1	168.4	-51.5	-103.6	4	0	0	0	108.9
839	K	24.7	Very low	27	Very low	192 Å²	192	148.5 Å²	148.5	84%	0.835	76%	0.757	S	S	*	*			trans	-142.6	127.4	-176.7	-173.3	-178.7	-175.1	179.7	0	113.4
840	P	29.1	Very low	26.7	Very low	110 Å²	110	144.7 Å²	144.7	71%	0.714	75%	0.75	S	S	*	*			trans	-98.5	140.6	161.9	33.8	-26.2	0	0	0	110.8
841	T	27.9	Very low	26.6	Very low	119 Å²	119	145.3 Å²	145.3	73%	0.73	75%	0.753	S	S	*	*			cis	100.1	74.5	33.7	62.9	0	0	0	0	115.5
842	S	24.2	Very low	26.5	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	75%	0.753	S	S	*	*			trans	23.9	127.9	133.2	57.8	0	0	0	0	122.3
843	I	26.4	Very low	26.5	Very low	167 Å²	167	147 Å²	147	86%	0.856	76%	0.757	S	S	*	*			trans	-139.7	146	149.8	-63.7	-173.1	0	0	0	108.1
844	P	25.3	Very low	26.4	Very low	121 Å²	121	146.5 Å²	146.5	79%	0.786	76%	0.761	S	S	*	*			trans	-108.4	-178.8	-162.9	41.7	-36	0	0	0	117.4
845	S	25.1	Very low	26.3	Very low	107 Å²	107	144.1 Å²	144.1	75%	0.748	77%	0.765	S	S	*	*			trans	-76.2	162.9	-167.2	-29.7	0	0	0	0	117.9
846	N	26.8	Very low	26.2	Very low	152 Å²	152	143.1 Å²	143.1	81%	0.813	77%	0.766	S	S	*	*				-171.1	166	129.7	-100.6	-29.4	0	0	0	114
847	H	30	Very low	26.3	Very low	167 Å²	167	143 Å²	143	77%	0.773	77%	0.773	S	S	*	*			trans	72.4	141.4	179.7	-72.6	-99.5	0	0	0	119.1
848	L	26	Very low	26.2	Very low	119 Å²	119	140 Å²	140	62%	0.623	77%	0.766	S	S	*	*			cis	-167.5	125.6	-35	-142.2	80.7	0	0	0	111.1
849	H	26.1	Very low	26	Very low	181 Å²	181	143.5 Å²	143.5	84%	0.838	77%	0.769	S	S	*	*			trans	60	156.2	170	-64.7	96.6	0	0	0	117.5
850	S	26	Very low	25.9	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	77%	0.768	S	S	*	*			cis	-141.5	163.6	3.4	52.4	0	0	0	0	112.6
851	N	26.1	Very low	25.8	Very low	134 Å²	134	143.2 Å²	143.2	72%	0.717	77%	0.773	S	S	*	*			trans	63.3	93.8	167.4	-55.7	-9.4	0	0	0	116.3
852	Q	26.6	Very low	25.8	Very low	179 Å²	179	145.8 Å²	145.8	84%	0.836	78%	0.78	S	S	*	*				64.2	130	81.1	-65.8	177.2	2.7	0	0	113.3
853	S	26	Very low	25.8	Very low	102 Å²	102	148.5 Å²	148.5	71%	0.713	78%	0.78	S	S	*	*			cis	-170.8	153.9	-1.3	52.2	0	0	0	0	108.9
854	I	26.1	Very low	25.7	Very low	160 Å²	160	146.4 Å²	146.4	82%	0.821	78%	0.781	S	S	*	*			cis	-153.9	156.5	2.2	-128.9	165.9	0	0	0	109.5
855	V	22.3	Very low	25.7	Very low	132 Å²	132	143.9 Å²	143.9	80%	0.8	78%	0.777	S	S	*	*			trans	-141.7	118.6	168.6	174.3	0	0	0	0	109.2
856	H	25	Very low	25.7	Very low	160 Å²	160	147.2 Å²	147.2	74%	0.741	79%	0.785	S	S	*	*			trans	-179.3	134.7	153.6	-112.7	-74.2	0	0	0	111.2
857	L	27	Very low	25.6	Very low	178 Å²	178	148.7 Å²	148.7	93%	0.932	79%	0.787	S	S	*	*				-171.8	144.7	125.6	-105	163.5	0	0	0	109.9
858	D	24.1	Very low	25.4	Very low	120 Å²	120	148.9 Å²	148.9	64%	0.642	79%	0.788	S	S	*	*			trans	-106.6	144.4	-160.3	-117.4	-59.1	0	0	0	114.2
859	R	24.4	Very low	25.4	Very low	208 Å²	208	150 Å²	150	79%	0.785	80%	0.795	S	S	*	*	S	Bend	trans	26.7	121.8	130.5	-170	178	-173.6	-178.4	1.1	120.5	Q861	R859-Q861 PolarHBondContact O-N 3.33Å
860	C	23.9	Very low	25.3	Very low	120 Å²	120	146 Å²	146	81%	0.811	79%	0.787	S	S	*	*			trans	52.2	50.1	144.9	-53.8	0	0	0	0	118.1
861	Q	27	Very low	25.3	Very low	176 Å²	176	148.5 Å²	148.5	82%	0.822	79%	0.793	S	S	*	*			trans	-128.5	165.8	151.7	-67.5	-171.2	-11.3	0	0	109	R859	R859-Q861 PolarHBondContact O-N 3.33Å
862	I	28.2	Very low	25.4	Very low	172 Å²	172	149.9 Å²	149.9	88%	0.882	80%	0.801	S	S	*	*			trans	69.5	54.7	-162.5	-39.3	175.2	0	0	0	112
863	E	23	Very low	25.2	Very low	171 Å²	171	147.2 Å²	147.2	80%	0.799	80%	0.797	S	S	*	*			trans	-70	165.5	140.3	-65	-180	125.4	0	0	109.6
864	S	25.1	Very low	25.1	Very low	123 Å²	123	150.1 Å²	150.1	86%	0.86	80%	0.804	S	S	*	*	S	Bend	trans	44.9	86.3	156.8	61.3	0	0	0	0	117.7
865	G	24.6	Very low	25.2	Very low	68 Å²	68	151.5 Å²	151.5	70%	0.701	81%	0.807	S	S	*	*			trans	-173.7	138.6	165.2	0	0	0	0	0	113.8
866	L	26.4	Very low	25.3	Very low	176 Å²	176	152.6 Å²	152.6	92%	0.921	81%	0.808	S	S	*	*			trans	67.1	53.9	167.7	-54.3	174.1	0	0	0	116.8
867	E	23.7	Very low	25.4	Very low	183 Å²	183	156.3 Å²	156.3	86%	0.855	82%	0.815	S	S	*	*			trans	-68	118.8	131.4	-66.7	-176.1	136.8	0	0	108.4
868	Q	26	Very low	25.3	Very low	172 Å²	172	155.5 Å²	155.5	80%	0.804	81%	0.812	S	S	*	*			trans	158.9	146.6	150.9	-89.1	157.3	41.6	0	0	111
869	N	27	Very low	25.6	Very low	142 Å²	142	155.5 Å²	155.5	76%	0.759	82%	0.821	S	S	*	*			trans	60	104	174.1	-50.3	-19.2	0	0	0	114.2
870	S	23.2	Very low	25.7	Very low	96 Å²	96	153.6 Å²	153.6	67%	0.671	83%	0.827	S	S	*	*			cis	63	127.9	37	97.3	0	0	0	0	114.3
871	N	25.3	Very low	25.8	Very low	146 Å²	146	151.4 Å²	151.4	78%	0.781	82%	0.824	S	S	*	*			trans	66.6	102.5	-177.7	-51.5	-17.9	0	0	0	115.8
872	D	27.7	Very low	25.8	Very low	164 Å²	164	149.1 Å²	149.1	88%	0.877	83%	0.828	S	S	*	*				-178.1	106.8	115.8	-89.6	-14.2	0	0	0	110.5
873	T	23.5	Very low	25.7	Very low	123 Å²	123	147.1 Å²	147.1	76%	0.755	82%	0.824	S	S	*	*			trans	-136.5	108.4	173	52.7	0	0	0	0	108.5
874	N	24.2	Very low	26	Very low	162 Å²	162	145.5 Å²	145.5	87%	0.866	83%	0.826	S	S	*	*			trans	145.5	82.3	159.7	-77.8	-21.6	0	0	0	110.6
875	E	26.8	Very low	26	Very low	190 Å²	190	145.2 Å²	145.2	89%	0.888	82%	0.819	S	S	*	*			trans	-177.3	101.9	151.2	-111.5	173.9	-149.9	0	0	109.5
876	L	25.5	Very low	26.1	Very low	154 Å²	154	147 Å²	147	81%	0.806	82%	0.817	S	S	*	*	S	Bend	trans	171.3	135.3	156	-97.4	154.6	0	0	0	109.9
877	W	26.6	Very low	26	Very low	239 Å²	239	144.4 Å²	144.4	91%	0.905	81%	0.808	S	S	*	*			trans	64.9	50.1	173.9	-52.1	98.5	0	0	0	118
878	N	24.9	Very low	26.2	Very low	161 Å²	161	141.3 Å²	141.3	86%	0.861	80%	0.802	S	S	*	*			trans	-118.6	100.9	152.5	-139.5	1.8	0	0	0	107.7
879	S	29.6	Very low	26.3	Very low	120 Å²	120	139.1 Å²	139.1	84%	0.839	81%	0.806	S	S	*	*			trans	-178.3	135.3	163.9	-84.4	0	0	0	0	112
880	N	27.6	Very low	26.3	Very low	167 Å²	167	135.4 Å²	135.4	89%	0.893	80%	0.801	S	S	*	*			trans	-88.8	155.5	170.9	-65.8	-33.4	0	0	0	110.7
881	G	25.2	Very low	26.6	Very low	74 Å²	74	136.8 Å²	136.8	76%	0.763	81%	0.81	S	S	*	*			trans	-80.2	174.5	-171.7	0	0	0	0	0	116.7
882	S	27.3	Very low	26.6	Very low	128 Å²	128	137.6 Å²	137.6	90%	0.895	82%	0.815	S	S	*	*			trans	-153.6	144.3	164.6	-65	0	0	0	0	109.4
883	T	26.5	Very low	26.6	Very low	130 Å²	130	135.6 Å²	135.6	80%	0.798	81%	0.813	S	S	*	*			trans	-91.4	148.4	-178.9	44.1	0	0	0	0	111.8
884	T	28.4	Very low	26.6	Very low	137 Å²	137	135.1 Å²	135.1	84%	0.84	82%	0.815	S	S	*	*				-176.6	157.2	124.7	21.4	0	0	0	0	114.6
885	T	26.1	Very low	26.7	Very low	117 Å²	117	135.2 Å²	135.2	72%	0.718	82%	0.816	S	S	*	*			trans	-50.8	173.7	174.7	52.2	0	0	0	0	116.3
886	T	25.6	Very low	26.6	Very low	107 Å²	107	138.2 Å²	138.2	66%	0.656	82%	0.819	S	S	*	*			cis	-168.5	163.2	30	-20.9	0	0	0	0	112.2
887	T	25.9	Very low	26.6	Very low	121 Å²	121	135.1 Å²	135.1	74%	0.742	81%	0.81	S	S	*	*			trans	62.9	148.9	153.6	53.9	0	0	0	0	119.6
888	T	26.8	Very low	26.6	Very low	118 Å²	118	131.7 Å²	131.7	72%	0.724	81%	0.809	S	S	*	*			cis	-162.6	153.1	-4.8	11.4	0	0	0	0	110.9
889	S	28.8	Very low	26.6	Very low	126 Å²	126	134.8 Å²	134.8	88%	0.881	81%	0.809	S	S	*	*			trans	61.4	145.9	160.9	63.2	0	0	0	0	119
890	G	27.8	Very low	26.4	Very low	64 Å²	64	134.6 Å²	134.6	66%	0.66	80%	0.799	S	S	*	*			cis	175.5	-173.7	-3.9	0	0	0	0	0	113.3
891	S	29.1	Very low	26.4	Very low	124 Å²	124	134 Å²	134	87%	0.867	79%	0.79	S	S	*	*			trans	60.4	103.6	170.6	48.4	0	0	0	0	119.7
892	N	24.9	Very low	26.7	Very low	164 Å²	164	135.7 Å²	135.7	88%	0.877	78%	0.782	S	S	*	*			trans	-29.9	139.5	157.1	-49.6	-21.5	0	0	0	116.4
893	S	27.2	Very low	26.8	Very low	121 Å²	121	135 Å²	135	85%	0.846	77%	0.768	S	S	*	*				-157.7	152.1	125.4	53.4	0	0	0	0	111.6
894	S	24.5	Very low	27.1	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	76%	0.76	S	S	*	*			trans	-75.9	121	-173.4	50.7	0	0	0	0	113.3
895	N	25.7	Very low	27.2	Very low	164 Å²	164	132.2 Å²	132.2	88%	0.877	74%	0.743	S	S	*	*			trans	-153.4	126.7	144.1	-103.4	-40.4	0	0	0	110.1	S897	N895-S897 PolarHBondContact O-N 2.9Å
896	R	24.4	Very low	27.5	Very low	254 Å²	254	128.9 Å²	128.9	96%	0.958	73%	0.725	S	S	*	*			trans	-70.8	119	-176.3	-146.7	175.2	-171.2	-177.6	1.8	108.3	N898	R896-N898 PolarHBondContact O-N 3.3Å
897	S	26.9	Very low	27.9	Very low	89 Å²	89	128.6 Å²	128.6	62%	0.622	72%	0.719	S	S	*	*			trans	-79.7	117.4	-159	42.2	0	0	0	0	113.6	N895 W899	N895-S897 PolarHBondContact O-N 2.9Å; S897-W899 VanDerWaalsContact C-N 3.35Å; S897-W899 PolarHBondContact O-N 3.38Å
898	N	24.9	Very low	28.4	Very low	166 Å²	166	126.2 Å²	126.2	89%	0.888	70%	0.702	S	S	*	*			trans	-61.9	93.6	160.4	-84.6	-33.1	0	0	0	109.3	R896 N900	R896-N898 PolarHBondContact O-N 3.3Å; N898-N900 PolarHBondContact O-N 3.05Å
899	W	24.8	Very low	29	Very low	227 Å²	227	125.8 Å²	125.8	86%	0.86	69%	0.694	S	S	*	*			trans	-72.8	122.7	170.7	-92.6	67.2	0	0	0	110	S897 H901	S897-W899 VanDerWaalsContact C-N 3.35Å; S897-W899 PolarHBondContact O-N 3.38Å; W899-H901 PolarHBondContact O-N 3.19Å
900	N	26.5	Very low	29.4	Very low	115 Å²	115	125.1 Å²	125.1	62%	0.615	68%	0.68	S	S	*	*			trans	-84.6	105.5	-153.7	-162.2	-21.6	0	0	0	111.3	N898 N902 N903	N898-N900 PolarHBondContact O-N 3.05Å; N900-N902 PolarHBondContact O-N 3.47Å; N900-N902 PolarHBondContact OD1-ND2 3.35Å; N900-N903 PolarHBondContact O-N 2.84Å
901	H	28.2	Very low	29.8	Very low	154 Å²	154	126.1 Å²	126.1	71%	0.713	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-14.3	-176.1	-118.3	-68.1	0	0	0	115.1	W899	W899-H901 PolarHBondContact O-N 3.19Å
902	N	30.3	Very low	30.3	Very low	111 Å²	111	123 Å²	123	59%	0.594	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-25.5	-176.2	-72.7	-56.6	0	0	0	115.4	N900 N904 N905	N900-N902 PolarHBondContact O-N 3.47Å; N900-N902 PolarHBondContact OD1-ND2 3.35Å; N902-N904 VanDerWaalsContact C-N 3.3Å; N902-N904 PolarHBondContact O-N 3.44Å; N902-N905 PolarHBondContact O-N 2.79Å
903	N	30.4	Very low	31	Very low	114 Å²	114	118.2 Å²	118.2	61%	0.61	62%	0.623	S	S	*	*	H	α-helix	trans	-74.5	-16.4	-175	-105	2	0	0	0	114.5	N900 S906 N907	N900-N903 PolarHBondContact O-N 2.84Å; N903-S906 PolarHBondContact O-OG 3.18Å; N903-N907 PolarHBondContact O-N 3.45Å; N903-N907 PolarHBondContact O-ND2 3.31Å
904	N	31.8	Very low	31.4	Very low	115 Å²	115	115.7 Å²	115.7	62%	0.615	61%	0.605	S	S	*	*	H	α-helix	trans	-76.2	-29.6	174.3	-69	-7.6	0	0	0	111.5	N902 L908	N902-N904 VanDerWaalsContact C-N 3.3Å; N902-N904 PolarHBondContact O-N 3.44Å; N904-L908 VanDerWaalsContact O-CB 3.27Å; N904-L908 WeakPolarHBondContact O-CB 3.5Å; N904-L908 PolarHBondContact O-N 2.95Å
905	N	31.3	Very low	31.8	Very low	93 Å²	93	111.1 Å²	111.1	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-73.4	-35.9	179	-72.1	-27.2	0	0	0	112.7	N902 L908 L909	N902-N905 PolarHBondContact O-N 2.79Å; N905-L908 PolarHBondContact O-N 3.35Å; N905-L909 WeakPolarHBondContact O-CB 3.22Å; N905-L909 VanDerWaalsContact O-CG 3.31Å; N905-L909 WeakPolarHBondContact O-CG 3.42Å; N905-L909 PolarHBondContact O-N 2.93Å
906	S	32.3	Very low	32.2	Very low	46 Å²	46	111 Å²	111	32%	0.322	56%	0.563	S	S	.	*	H	α-helix	trans	-66.5	-45.9	174.8	49.1	0	0	0	0	111.5	N903 L908 L909 L910	N903-S906 PolarHBondContact O-OG 3.18Å; S906-L908 PolarHBondContact O-N 2.88Å; S906-L909 PolarHBondContact O-N 3.36Å; S906-L910 WeakPolarHBondContact O-CB 3.5Å; S906-L910 WeakPolarHBondContact O-CG 3.49Å; S906-L910 PolarHBondContact O-N 2.82Å
907	N	33.4	Very low	32.6	Very low	102 Å²	102	109.3 Å²	109.3	55%	0.545	56%	0.557	S	S	.	*	H	α-helix	trans	-61.9	-41.2	173.7	-76.4	-25.8	0	0	0	112.3	N903 L910 L911	N903-N907 PolarHBondContact O-N 3.45Å; N903-N907 PolarHBondContact O-ND2 3.31Å; N907-L910 PolarHBondContact O-N 3.06Å; N907-L911 VanDerWaalsContact O-CB 3.32Å; N907-L911 WeakPolarHBondContact O-CB 3.5Å; N907-L911 PolarHBondContact O-N 3.2Å
908	L	37.2	Very low	32.9	Very low	71 Å²	71	110.4 Å²	110.4	37%	0.372	55%	0.552	S	S	.	*	H	α-helix	trans	-64.1	-40.3	175.1	-171.8	69.6	0	0	0	112.2	N904 N905 S906 L911 I912 I932	N904-L908 VanDerWaalsContact O-CB 3.27Å; N904-L908 WeakPolarHBondContact O-CB 3.5Å; N904-L908 PolarHBondContact O-N 2.95Å; N905-L908 PolarHBondContact O-N 3.35Å; S906-L908 PolarHBondContact O-N 2.88Å; L908-L911 PolarHBondContact O-N 3.05Å; L908-I912 HydrophobicContact CD1-CD1 4.48Å; L908-I912 HydrophobicContact CG-CD1 3.96Å; L908-I912 WeakPolarHBondContact O-CB 3.44Å; L908-I912 WeakPolarHBondContact O-CD1 3.49Å; L908-I912 WeakPolarHBondContact O-CG1 3.41Å; L908-I912 PolarHBondContact O-N 3.13Å; L908-I932 HydrophobicContact CD1-CG2 4.04Å
909	L	38.5	Very low	33.3	Very low	109 Å²	109	110.9 Å²	110.9	57%	0.571	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-37.6	176.7	-79.2	166.2	0	0	0	112.8	N905 S906 S913	N905-L909 WeakPolarHBondContact O-CB 3.22Å; N905-L909 VanDerWaalsContact O-CG 3.31Å; N905-L909 WeakPolarHBondContact O-CG 3.42Å; N905-L909 PolarHBondContact O-N 2.93Å; S906-L909 PolarHBondContact O-N 3.36Å; L909-S913 VanDerWaalsContact O-CB 3.31Å; L909-S913 WeakPolarHBondContact O-CB 3.27Å; L909-S913 PolarHBondContact O-N 3.14Å; L909-S913 PolarHBondContact O-OG 3.35Å
910	L	38.3	Very low	33.6	Very low	112 Å²	112	103 Å²	103	59%	0.586	53%	0.526	S	S	*	.	H	α-helix	trans	-65.1	-44.7	171.9	-73.1	168.5	0	0	0	110.8	S906 N907 S913 S914	S906-L910 WeakPolarHBondContact O-CB 3.5Å; S906-L910 WeakPolarHBondContact O-CG 3.49Å; S906-L910 PolarHBondContact O-N 2.82Å; N907-L910 PolarHBondContact O-N 3.06Å; L910-S913 PolarHBondContact O-N 3.49Å; L910-S913 VanDerWaalsContact O-N 3.16Å; L910-S914 PolarHBondContact O-N 3.42Å; L910-S914 PolarHBondContact O-OG 3.49Å
911	L	35.1	Very low	34.2	Very low	85 Å²	85	103.1 Å²	103.1	45%	0.445	53%	0.527	S	S	.	.	H	α-helix	trans	-59.8	-47.5	175.1	-165.2	79.1	0	0	0	111.3	N907 L908 S913 S914 I915 I932	N907-L911 VanDerWaalsContact O-CB 3.32Å; N907-L911 WeakPolarHBondContact O-CB 3.5Å; N907-L911 PolarHBondContact O-N 3.2Å; L908-L911 PolarHBondContact O-N 3.05Å; L911-S913 VanDerWaalsContact C-N 3.28Å; L911-S913 PolarHBondContact O-N 3.01Å; L911-S914 PolarHBondContact O-N 3.07Å; L911-I915 HydrophobicContact CD2-CD1 4.22Å; L911-I915 HydrophobicContact CG-CD1 3.9Å; L911-I915 WeakPolarHBondContact O-CB 3.4Å; L911-I915 WeakPolarHBondContact O-CG1 3.48Å; L911-I915 PolarHBondContact O-N 3.28Å; L911-I932 HydrophobicContact CD2-CD1 3.84Å; L911-I932 HydrophobicContact CD2-CG1 3.97Å
912	I	40.1	Very low	35	Very low	57 Å²	57	100.1 Å²	100.1	29%	0.292	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-35.8	175.6	-72.7	166.2	0	0	0	111.5	L908 K916	L908-I912 HydrophobicContact CD1-CD1 4.48Å; L908-I912 HydrophobicContact CG-CD1 3.96Å; L908-I912 WeakPolarHBondContact O-CB 3.44Å; L908-I912 WeakPolarHBondContact O-CD1 3.49Å; L908-I912 WeakPolarHBondContact O-CG1 3.41Å; L908-I912 PolarHBondContact O-N 3.13Å; I912-K916 WeakPolarHBondContact O-CG 3.34Å; I912-K916 PolarHBondContact O-N 3.49Å
913	S	39.8	Very low	35.4	Very low	65 Å²	65	99 Å²	99	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-72.1	-38.7	178.6	-59.8	0	0	0	0	112.3	L909 L910 L911 K916 R917	L909-S913 VanDerWaalsContact O-CB 3.31Å; L909-S913 WeakPolarHBondContact O-CB 3.27Å; L909-S913 PolarHBondContact O-N 3.14Å; L909-S913 PolarHBondContact O-OG 3.35Å; L910-S913 PolarHBondContact O-N 3.49Å; L910-S913 VanDerWaalsContact O-N 3.16Å; L911-S913 VanDerWaalsContact C-N 3.28Å; L911-S913 PolarHBondContact O-N 3.01Å; S913-K916 PolarHBondContact O-N 2.86Å; S913-R917 PolarHBondContact O-N 3.21Å
914	S	34.4	Very low	36	Very low	68 Å²	68	97.7 Å²	97.7	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-68.2	-40.8	170.7	-65.9	0	0	0	0	111.9	L910 L911 K916 R917 H918	L910-S914 PolarHBondContact O-N 3.42Å; L910-S914 PolarHBondContact O-OG 3.49Å; L911-S914 PolarHBondContact O-N 3.07Å; S914-K916 PolarHBondContact O-N 3.35Å; S914-R917 WeakPolarHBondContact O-CB 3.1Å; S914-R917 PolarHBondContact O-N 3.31Å; S914-H918 PolarHBondContact O-CD2 3.31Å
915	I	32.9	Very low	36.8	Very low	17 Å²	17	97.3 Å²	97.3	9%	0.087	49%	0.493	C	S	.	.	H	α-helix	trans	-61.7	-32.4	173.8	-71.6	166.2	0	0	0	111.3	L911 R917 H918 F920 W925 I932	L911-I915 HydrophobicContact CD2-CD1 4.22Å; L911-I915 HydrophobicContact CG-CD1 3.9Å; L911-I915 WeakPolarHBondContact O-CB 3.4Å; L911-I915 WeakPolarHBondContact O-CG1 3.48Å; L911-I915 PolarHBondContact O-N 3.28Å; I915-R917 VanDerWaalsContact C-N 3.32Å; I915-R917 PolarHBondContact O-N 3.32Å; I915-H918 PolarHBondContact O-N 2.88Å; I915-F920 HydrophobicContact CG2-CD2 4.24Å; I915-W925 HydrophobicContact CG2-CZ2 3.8Å; I915-I932 HydrophobicContact CD1-CD1 3.93Å
916	K	34.9	Very low	37.2	Very low	161 Å²	161	93.5 Å²	93.5	70%	0.7	48%	0.476	S	S	*	.	H	α-helix	trans	-70.6	-19.4	171.5	-80.9	-179.4	176.5	-176.5	0	114.6	I912 S913 S914	I912-K916 WeakPolarHBondContact O-CG 3.34Å; I912-K916 PolarHBondContact O-N 3.49Å; S913-K916 PolarHBondContact O-N 2.86Å; S914-K916 PolarHBondContact O-N 3.35Å
917	R	33.5	Very low	37.8	Very low	219 Å²	219	93.1 Å²	93.1	83%	0.826	47%	0.473	S	S	*	.	H	α-helix	trans	-79.5	-19.4	174.6	-74.4	-175.5	170.4	-167.7	-3.4	113.2	S913 S914 I915	S913-R917 PolarHBondContact O-N 3.21Å; S914-R917 WeakPolarHBondContact O-CB 3.1Å; S914-R917 PolarHBondContact O-N 3.31Å; I915-R917 VanDerWaalsContact C-N 3.32Å; I915-R917 PolarHBondContact O-N 3.32Å
918	H	33.2	Very low	38.3	Very low	112 Å²	112	92 Å²	92	52%	0.519	47%	0.465	S	S	.	.	S	Bend	trans	-105.2	122.4	178.3	-66	-75.4	0	0	0	109.9	S914 I915 F920	S914-H918 PolarHBondContact O-CD2 3.31Å; I915-H918 PolarHBondContact O-N 2.88Å; H918-F920 HydrophobicContact CB-CD2 3.76Å; H918-F920 HydrophobicContact CB-CE2 3.47Å; H918-F920 VanDerWaalsContact CB-CE2 3.47Å; H918-F920 HydrophobicContact CB-CG 4.42Å; H918-F920 HydrophobicContact CB-CZ 3.89Å; H918-F920 PolarHBondContact O-N 3.19Å
919	N	31.7	Very low	38.7	Very low	175 Å²	175	96.2 Å²	96.2	94%	0.936	48%	0.476	S	S	*	.			trans	-72.3	66.9	174.5	-88.4	-21.1	0	0	0	110.8	D921	N919-D921 PolarHBondContact O-N 3.35Å
920	F	32	Very low	39	Very low	62 Å²	62	91.7 Å²	91.7	27%	0.272	45%	0.453	S	S	.	.			trans	-64.9	128	172.6	-74.6	-60.6	0	0	0	110.1	I915 H918 E924	I915-F920 HydrophobicContact CG2-CD2 4.24Å; H918-F920 HydrophobicContact CB-CD2 3.76Å; H918-F920 HydrophobicContact CB-CE2 3.47Å; H918-F920 VanDerWaalsContact CB-CE2 3.47Å; H918-F920 HydrophobicContact CB-CG 4.42Å; H918-F920 HydrophobicContact CB-CZ 3.89Å; H918-F920 PolarHBondContact O-N 3.19Å; F920-E924 WeakPolarHBondContact CA-OE2 3.49Å; F920-E924 HydrophobicContact CB-CB 4Å; F920-E924 HydrophobicContact CD1-CB 3.83Å; F920-E924 HydrophobicContact CD1-CG 4.5Å; F920-E924 HydrophobicContact CG-CB 4.27Å
921	D	39.1	Very low	39.3	Very low	118 Å²	118	92.4 Å²	92.4	63%	0.631	45%	0.452	S	S	*	.			trans	-63.6	155.2	176.2	-143.1	-16.6	0	0	0	109.2	N919 F923 E924 W925	N919-D921 PolarHBondContact O-N 3.35Å; D921-F923 PolarHBondContact O-N 3.33Å; D921-E924 PolarHBondContact N-OE2 2.8Å; D921-E924 PolarHBondContact O-N 3.04Å; D921-W925 PolarHBondContact O-N 2.84Å; D921-W925 VanDerWaalsContact O-N 3.12Å
922	S	44.7	Very low	39.9	Very low	90 Å²	90	90.5 Å²	90.5	63%	0.629	44%	0.442	S	S	*	.	H	α-helix	trans	-55.6	-27.5	-170.8	62.8	0	0	0	0	113.9	G926 M957	S922-G926 PolarHBondContact O-N 3.11Å; S922-M957 WeakPolarHBondContact O-CE 3.41Å
923	F	39.4	Very low	40	Very low	88 Å²	88	91.4 Å²	91.4	39%	0.386	45%	0.447	S	S	.	.	H	α-helix	trans	-61.5	-53.1	171.5	176.1	-110.2	0	0	0	113.1	D921 W925 G926 C927 M957	D921-F923 PolarHBondContact O-N 3.33Å; F923-W925 VanDerWaalsContact C-N 3.3Å; F923-W925 PolarHBondContact O-N 3.4Å; F923-G926 PolarHBondContact O-N 3.05Å; F923-G926 VanDerWaalsContact O-N 3.16Å; F923-C927 PolarHBondContact O-N 2.99Å; F923-C927 PolarHBondContact O-SG 3.06Å; F923-M957 HydrophobicContact CD2-CB 3.98Å; F923-M957 HydrophobicContact CD2-SD 3.94Å
924	E	43	Very low	40.3	Very low	86 Å²	86	90.4 Å²	90.4	40%	0.402	44%	0.436	S	S	.	.	H	α-helix	trans	-65.1	-37.7	-178.3	-60.8	171.8	131.2	0	0	110.5	F920 D921 G926 C927 M928	F920-E924 WeakPolarHBondContact CA-OE2 3.49Å; F920-E924 HydrophobicContact CB-CB 4Å; F920-E924 HydrophobicContact CD1-CB 3.83Å; F920-E924 HydrophobicContact CD1-CG 4.5Å; F920-E924 HydrophobicContact CG-CB 4.27Å; D921-E924 PolarHBondContact N-OE2 2.8Å; D921-E924 PolarHBondContact O-N 3.04Å; E924-G926 VanDerWaalsContact C-N 3.35Å; E924-G926 PolarHBondContact O-N 3.35Å; E924-C927 PolarHBondContact O-N 3.41Å; E924-M928 WeakPolarHBondContact O-CB 3.33Å; E924-M928 WeakPolarHBondContact O-CG 3.28Å; E924-M928 PolarHBondContact O-N 3.2Å
925	W	47.4	Very low	40.6	Very low	107 Å²	107	92.3 Å²	92.3	41%	0.405	44%	0.441	S	S	.	.	H	α-helix	trans	-60.7	-38.6	173.5	-126.4	102.6	0	0	0	113.1	I915 D921 F923 R929	I915-W925 HydrophobicContact CG2-CZ2 3.8Å; D921-W925 PolarHBondContact O-N 2.84Å; D921-W925 VanDerWaalsContact O-N 3.12Å; F923-W925 VanDerWaalsContact C-N 3.3Å; F923-W925 PolarHBondContact O-N 3.4Å; W925-R929 VanDerWaalsContact O-CB 3.26Å; W925-R929 WeakPolarHBondContact O-CB 3.25Å; W925-R929 PolarHBondContact O-N 2.95Å
926	G	40.9	Very low	40.9	Very low	13 Å²	13	93.2 Å²	93.2	13%	0.134	45%	0.449	C	S	.	.	H	α-helix	trans	-72.7	-42.1	176.3	0	0	0	0	0	113	S922 F923 E924 R929 C930	S922-G926 PolarHBondContact O-N 3.11Å; F923-G926 PolarHBondContact O-N 3.05Å; F923-G926 VanDerWaalsContact O-N 3.16Å; E924-G926 VanDerWaalsContact C-N 3.35Å; E924-G926 PolarHBondContact O-N 3.35Å; G926-R929 PolarHBondContact O-N 2.77Å; G926-C930 PolarHBondContact O-N 2.82Å; G926-C930 PolarHBondContact O-SG 3.3Å
927	C	43.4	Very low	41	Very low	38 Å²	38	89.1 Å²	89.1	26%	0.257	45%	0.453	S	S	.	.	H	α-helix	trans	-59.4	-48.3	173.5	-68.2	0	0	0	0	111.2	F923 E924 R929 C930 F931	F923-C927 PolarHBondContact O-N 2.99Å; F923-C927 PolarHBondContact O-SG 3.06Å; E924-C927 PolarHBondContact O-N 3.41Å; C927-R929 PolarHBondContact O-N 3.25Å; C927-C930 PolarHBondContact O-N 3.03Å; C927-F931 WeakPolarHBondContact O-CB 3.36Å; C927-F931 PolarHBondContact O-N 3.44Å
928	M	44.7	Very low	41.2	Very low	78 Å²	78	85.4 Å²	85.4	38%	0.384	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-43.6	175	-80.1	-67.4	-176.1	0	0	112.4	E924 C930 F931 I932	E924-M928 WeakPolarHBondContact O-CB 3.33Å; E924-M928 WeakPolarHBondContact O-CG 3.28Å; E924-M928 PolarHBondContact O-N 3.2Å; M928-C930 VanDerWaalsContact C-N 3.32Å; M928-C930 PolarHBondContact O-N 3.02Å; M928-F931 PolarHBondContact O-N 3.12Å; M928-I932 VanDerWaalsContact O-CG1 3.29Å; M928-I932 WeakPolarHBondContact O-CG1 3.33Å; M928-I932 PolarHBondContact O-N 3.1Å
929	R	45.1	Very low	41.2	Very low	161 Å²	161	81.3 Å²	81.3	61%	0.608	43%	0.43	S	S	*	.	H	α-helix	trans	-62.3	-38.4	178.3	-174.4	171.4	-178.6	153	0.8	112.4	W925 G926 C927 L933	W925-R929 VanDerWaalsContact O-CB 3.26Å; W925-R929 WeakPolarHBondContact O-CB 3.25Å; W925-R929 PolarHBondContact O-N 2.95Å; G926-R929 PolarHBondContact O-N 2.77Å; C927-R929 PolarHBondContact O-N 3.25Å; R929-L933 VanDerWaalsContact O-CG 3.31Å; R929-L933 WeakPolarHBondContact O-CG 3.3Å; R929-L933 PolarHBondContact O-N 3.26Å
930	C	44.9	Very low	41.2	Very low	13 Å²	13	79.9 Å²	79.9	9%	0.088	42%	0.422	C	S	.	.	H	α-helix	trans	-73.5	-35.7	175.2	-59.7	0	0	0	0	112.1	G926 C927 M928 L933 L934 L950	G926-C930 PolarHBondContact O-N 2.82Å; G926-C930 PolarHBondContact O-SG 3.3Å; C927-C930 PolarHBondContact O-N 3.03Å; M928-C930 VanDerWaalsContact C-N 3.32Å; M928-C930 PolarHBondContact O-N 3.02Å; C930-L933 PolarHBondContact O-N 3.43Å; C930-L934 WeakPolarHBondContact O-CG 3.25Å; C930-L934 PolarHBondContact O-N 3.18Å; C930-L950 HydrophobicContact CB-CB 4.29Å; C930-L950 HydrophobicContact CB-CD1 3.47Å; C930-L950 VanDerWaalsContact CB-CD1 3.47Å; C930-L950 HydrophobicContact CB-CG 4.46Å
931	F	45.2	Very low	41.5	Very low	128 Å²	128	86 Å²	86	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-64.5	-40.5	174.2	-172.5	-99.1	0	0	0	112.2	C927 M928 L934 N935	C927-F931 WeakPolarHBondContact O-CB 3.36Å; C927-F931 PolarHBondContact O-N 3.44Å; M928-F931 PolarHBondContact O-N 3.12Å; F931-L934 PolarHBondContact O-N 3.41Å; F931-N935 WeakPolarHBondContact CE1-ND2 3.39Å; F931-N935 WeakPolarHBondContact CZ-ND2 3.32Å; F931-N935 PolarHBondContact O-N 3.38Å; F931-N935 VanDerWaalsContact O-N 3.11Å; F931-N935 PolarHBondContact O-ND2 2.98Å
932	I	47.6	Very low	41.9	Very low	45 Å²	45	81.9 Å²	81.9	23%	0.231	43%	0.432	C	S	.	.	H	α-helix	trans	-62	-43.8	173.4	-69.7	163.9	0	0	0	110.6	L908 L911 I915 M928 L934 N935 S936	L908-I932 HydrophobicContact CD1-CG2 4.04Å; L911-I932 HydrophobicContact CD2-CD1 3.84Å; L911-I932 HydrophobicContact CD2-CG1 3.97Å; I915-I932 HydrophobicContact CD1-CD1 3.93Å; M928-I932 VanDerWaalsContact O-CG1 3.29Å; M928-I932 WeakPolarHBondContact O-CG1 3.33Å; M928-I932 PolarHBondContact O-N 3.1Å; I932-L934 PolarHBondContact O-N 3.14Å; I932-N935 PolarHBondContact O-N 3.34Å; I932-S936 PolarHBondContact O-N 3.14Å; I932-S936 PolarHBondContact O-OG 2.9Å
933	L	42.7	Very low	41.6	Very low	76 Å²	76	81.2 Å²	81.2	40%	0.398	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-37.2	176.8	-72	166.6	0	0	0	112.7	R929 C930 N935 S936 L939	R929-L933 VanDerWaalsContact O-CG 3.31Å; R929-L933 WeakPolarHBondContact O-CG 3.3Å; R929-L933 PolarHBondContact O-N 3.26Å; C930-L933 PolarHBondContact O-N 3.43Å; L933-N935 VanDerWaalsContact C-N 3.34Å; L933-S936 PolarHBondContact O-OG 3.15Å; L933-L939 WeakPolarHBondContact O-CD1 3.44Å
934	L	45.8	Very low	41.8	Very low	43 Å²	43	80.9 Å²	80.9	23%	0.225	42%	0.422	C	S	.	.	H	α-helix	trans	-72.2	-23.4	177.5	-76.3	164.6	0	0	0	114.1	C930 F931 I932 Y943 L950	C930-L934 WeakPolarHBondContact O-CG 3.25Å; C930-L934 PolarHBondContact O-N 3.18Å; F931-L934 PolarHBondContact O-N 3.41Å; I932-L934 PolarHBondContact O-N 3.14Å; L934-Y943 HydrophobicContact CD2-CD1 4.17Å; L934-Y943 HydrophobicContact CD2-CE1 4.15Å; L934-Y943 PolarHBondContact O-OH 3.06Å; L934-L950 HydrophobicContact CD1-CD2 4.13Å
935	N	41.5	Very low	41.8	Very low	109 Å²	109	83.8 Å²	83.8	58%	0.583	43%	0.433	S	S	*	.	H	α-helix	trans	-98.1	-13.8	177.2	-73	-86.6	0	0	0	113.2	F931 I932 L933 G937	F931-N935 WeakPolarHBondContact CE1-ND2 3.39Å; F931-N935 WeakPolarHBondContact CZ-ND2 3.32Å; F931-N935 PolarHBondContact O-N 3.38Å; F931-N935 VanDerWaalsContact O-N 3.11Å; F931-N935 PolarHBondContact O-ND2 2.98Å; I932-N935 PolarHBondContact O-N 3.34Å; L933-N935 VanDerWaalsContact C-N 3.34Å; N935-G937 PolarHBondContact O-N 2.97Å
936	S	38.8	Very low	41.7	Very low	35 Å²	35	79.8 Å²	79.8	25%	0.245	42%	0.422	C	S	.	.	S	Bend	trans	-75.4	110.9	165.7	59.3	0	0	0	0	109.6	I932 L933 L938	I932-S936 PolarHBondContact O-N 3.14Å; I932-S936 PolarHBondContact O-OG 2.9Å; L933-S936 PolarHBondContact O-OG 3.15Å; S936-L938 PolarHBondContact O-N 3.08Å
937	G	36.2	Very low	42.1	Very low	76 Å²	76	80.8 Å²	80.8	78%	0.784	42%	0.422	S	S	*	.	S	Bend	trans	-68.3	51.5	178.3	0	0	0	0	0	114.7	N935	N935-G937 PolarHBondContact O-N 2.97Å
938	L	37.4	Very low	42.5	Very low	141 Å²	141	82 Å²	82	74%	0.738	42%	0.424	S	S	*	.			trans	-110.9	10.8	-177.7	-71.5	169.1	0	0	0	112	S936	S936-L938 PolarHBondContact O-N 3.08Å
939	L	33.2	Very low	42.8	Very low	26 Å²	26	82.3 Å²	82.3	14%	0.136	43%	0.427	C	S	.	.			trans	-132.3	32.8	-159.7	-64.8	171.3	0	0	0	114.1	L933 E941 S942 Y943 S946	L933-L939 WeakPolarHBondContact O-CD1 3.44Å; L939-E941 PolarHBondContact O-N 3.16Å; L939-S942 PolarHBondContact O-N 3.31Å; L939-Y943 HydrophobicContact CB-CD2 4.48Å; L939-Y943 HydrophobicContact CB-CE2 4.5Å; L939-Y943 WeakPolarHBondContact O-CD2 3.34Å; L939-Y943 PolarHBondContact O-N 3.13Å; L939-S946 WeakPolarHBondContact CD1-OG 3.46Å
940	N	32.4	Very low	43.1	Very low	144 Å²	144	75.8 Å²	75.8	77%	0.77	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	139.4	157.5	-69.7	-1.4	0	0	0	108.7	S942	N940-S942 PolarHBondContact O-N 3.43Å
941	E	38.8	Very low	43.6	Very low	191 Å²	191	79 Å²	79	89%	0.893	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	-3.6	-168.7	-50.2	-166.7	131.5	0	0	117.6	L939	L939-E941 PolarHBondContact O-N 3.16Å
942	S	46.9	Very low	43.9	Very low	31 Å²	31	76.9 Å²	76.9	22%	0.217	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-2.2	-166.4	-154.3	0	0	0	0	115.3	L939 N940 T944 K945 S946	L939-S942 PolarHBondContact O-N 3.31Å; N940-S942 PolarHBondContact O-N 3.43Å; S942-T944 PolarHBondContact O-N 3.43Å; S942-K945 WeakPolarHBondContact O-CB 3.37Å; S942-K945 PolarHBondContact O-N 3.16Å; S942-K945 VanDerWaalsContact O-N 3.11Å; S942-S946 PolarHBondContact O-N 3.23Å; S942-S946 PolarHBondContact O-OG 3.35Å
943	Y	38.1	Very low	44.2	Very low	76 Å²	76	77.1 Å²	77.1	30%	0.298	41%	0.409	S	S	.	.	H	α-helix	trans	-51.6	-46.5	176.8	-95.4	-87.5	0	0	0	114.1	L934 L939 K945 S946 F947	L934-Y943 HydrophobicContact CD2-CD1 4.17Å; L934-Y943 HydrophobicContact CD2-CE1 4.15Å; L934-Y943 PolarHBondContact O-OH 3.06Å; L939-Y943 HydrophobicContact CB-CD2 4.48Å; L939-Y943 HydrophobicContact CB-CE2 4.5Å; L939-Y943 WeakPolarHBondContact O-CD2 3.34Å; L939-Y943 PolarHBondContact O-N 3.13Å; Y943-K945 PolarHBondContact O-N 3.41Å; Y943-S946 PolarHBondContact O-N 3.01Å; Y943-F947 VanDerWaalsContact O-CB 3.28Å; Y943-F947 WeakPolarHBondContact O-CB 3.46Å; Y943-F947 PolarHBondContact O-N 3.05Å
944	T	43	Very low	44.9	Very low	82 Å²	82	74.1 Å²	74.1	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-37.9	178.4	39.4	0	0	0	0	112.9	S942 F947 E948 F997	S942-T944 PolarHBondContact O-N 3.43Å; T944-F947 PolarHBondContact O-N 2.91Å; T944-E948 PolarHBondContact O-N 3.07Å; T944-F997 HydrophobicContact CG2-CE2 4.36Å; T944-F997 HydrophobicContact CG2-CZ 4.31Å
945	K	44.9	Very low	45.2	Very low	147 Å²	147	77.5 Å²	77.5	64%	0.639	40%	0.404	S	S	*	.	H	α-helix	trans	-64.2	-44.7	175.3	-65.6	172.8	-178.7	167.2	0	110.7	S942 Y943 L949	S942-K945 WeakPolarHBondContact O-CB 3.37Å; S942-K945 PolarHBondContact O-N 3.16Å; S942-K945 VanDerWaalsContact O-N 3.11Å; Y943-K945 PolarHBondContact O-N 3.41Å; K945-L949 PolarHBondContact O-N 3.08Å; K945-L949 VanDerWaalsContact O-N 3.09Å
946	S	44.9	Very low	45.7	Very low	23 Å²	23	75 Å²	75	16%	0.161	39%	0.389	C	S	.	.	H	α-helix	trans	-67.9	-34.5	177.5	-57.8	0	0	0	0	113.1	L939 S942 Y943 L949 L950	L939-S946 WeakPolarHBondContact CD1-OG 3.46Å; S942-S946 PolarHBondContact O-N 3.23Å; S942-S946 PolarHBondContact O-OG 3.35Å; Y943-S946 PolarHBondContact O-N 3.01Å; S946-L949 WeakPolarHBondContact O-CB 3.43Å; S946-L949 PolarHBondContact O-N 3.04Å; S946-L950 PolarHBondContact O-N 3.34Å
947	F	49.2	Very low	46.2	Very low	33 Å²	33	75.4 Å²	75.4	15%	0.145	39%	0.388	C	S	.	.	H	α-helix	trans	-69	-43.7	176.7	-177.6	-98.1	0	0	0	112.9	Y943 T944 L949 L950 K951 I993 F997	Y943-F947 VanDerWaalsContact O-CB 3.28Å; Y943-F947 WeakPolarHBondContact O-CB 3.46Å; Y943-F947 PolarHBondContact O-N 3.05Å; T944-F947 PolarHBondContact O-N 2.91Å; F947-L949 VanDerWaalsContact C-N 3.28Å; F947-L949 PolarHBondContact O-N 2.94Å; F947-L950 WeakPolarHBondContact O-CB 3.25Å; F947-L950 PolarHBondContact O-N 2.67Å; F947-K951 WeakPolarHBondContact O-CB 3.33Å; F947-K951 PolarHBondContact O-N 2.92Å; F947-I993 HydrophobicContact CE1-CG2 4.31Å; F947-I993 HydrophobicContact CE2-CG2 3.51Å; F947-I993 WeakPolarHBondContact CE2-O 3.42Å; F947-I993 HydrophobicContact CZ-CG2 3.36Å; F947-F997 HydrophobicContact CD1-CD2 4.16Å; F947-F997 HydrophobicContact CD1-CE2 4.46Å; F947-F997 HydrophobicContact CD2-CB 4.4Å; F947-F997 AromaticContact CD2-CD2 3.98Å; F947-F997 HydrophobicContact CD2-CD2 3.98Å; F947-F997 HydrophobicContact CE1-CB 4.32Å; F947-F997 HydrophobicContact CE1-CD2 4.18Å; F947-F997 HydrophobicContact CE1-CG 4.18Å; F947-F997 HydrophobicContact CE2-CB 3.62Å; F947-F997 HydrophobicContact CE2-CD2 4Å; F947-F997 HydrophobicContact CE2-CG 4.11Å; F947-F997 HydrophobicContact CG-CD2 4.05Å; F947-F997 HydrophobicContact CG-CE2 4.48Å; F947-F997 HydrophobicContact CZ-CB 3.54Å; F947-F997 HydrophobicContact CZ-CD2 4.08Å; F947-F997 AromaticContact CZ-CG 3.89Å; F947-F997 HydrophobicContact CZ-CG 3.89Å
948	E	50.9	Low	47.2	Very low	65 Å²	65	72.3 Å²	72.3	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-63.5	-36.6	170.9	-73.7	-64.3	125.7	0	0	111	T944 L950 K951 Y952	T944-E948 PolarHBondContact O-N 3.07Å; E948-L950 PolarHBondContact O-N 3.02Å; E948-K951 WeakPolarHBondContact O-CB 3.4Å; E948-K951 PolarHBondContact O-N 2.89Å; E948-K951 VanDerWaalsContact OE1-CD 3.29Å; E948-K951 WeakPolarHBondContact OE1-CD 3.26Å; E948-K951 IonicContact OE1-NZ 2.61Å; E948-K951 PolarHBondContact OE1-NZ 3.08Å; E948-K951 WeakPolarHBondContact OE2-CD 3.44Å; E948-K951 IonicContact OE2-NZ 2.8Å; E948-K951 PolarHBondContact OE2-NZ 2.82Å; E948-Y952 HydrophobicContact CB-CD2 4.38Å; E948-Y952 HydrophobicContact CB-CE2 4.31Å; E948-Y952 WeakPolarHBondContact O-CD2 3.2Å; E948-Y952 PolarHBondContact O-N 3.47Å
949	L	50.3	Low	48	Very low	83 Å²	83	68 Å²	68	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-40.4	175	-149	78.5	0	0	0	112.8	K945 S946 F947 T953	K945-L949 PolarHBondContact O-N 3.08Å; K945-L949 VanDerWaalsContact O-N 3.09Å; S946-L949 WeakPolarHBondContact O-CB 3.43Å; S946-L949 PolarHBondContact O-N 3.04Å; F947-L949 VanDerWaalsContact C-N 3.28Å; F947-L949 PolarHBondContact O-N 2.94Å; L949-T953 WeakPolarHBondContact O-CB 3.09Å; L949-T953 WeakPolarHBondContact O-CG2 3.47Å; L949-T953 PolarHBondContact O-N 3.26Å; L949-T953 PolarHBondContact O-OG1 2.88Å
950	L	53.4	Low	49.2	Very low	24 Å²	24	73.8 Å²	73.8	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-58.7	-49.3	171.2	169.7	72.6	0	0	0	110.9	C930 L934 S946 F947 E948 Y952 T953 I954	C930-L950 HydrophobicContact CB-CB 4.29Å; C930-L950 HydrophobicContact CB-CD1 3.47Å; C930-L950 VanDerWaalsContact CB-CD1 3.47Å; C930-L950 HydrophobicContact CB-CG 4.46Å; L934-L950 HydrophobicContact CD1-CD2 4.13Å; S946-L950 PolarHBondContact O-N 3.34Å; F947-L950 WeakPolarHBondContact O-CB 3.25Å; F947-L950 PolarHBondContact O-N 2.67Å; E948-L950 PolarHBondContact O-N 3.02Å; L950-Y952 PolarHBondContact O-N 3.42Å; L950-T953 WeakPolarHBondContact CA-OG1 3.49Å; L950-T953 PolarHBondContact O-N 3.18Å; L950-T953 PolarHBondContact O-OG1 2.82Å; L950-I954 HydrophobicContact CD1-CD1 3.64Å; L950-I954 HydrophobicContact CD1-CG1 4.27Å; L950-I954 HydrophobicContact CG-CD1 3.97Å; L950-I954 VanDerWaalsContact O-CB 3.29Å; L950-I954 WeakPolarHBondContact O-CB 3.38Å; L950-I954 WeakPolarHBondContact O-CG1 3.41Å; L950-I954 PolarHBondContact O-N 3.07Å
951	K	54.3	Low	50.4	Low	81 Å²	81	71.1 Å²	71.1	35%	0.352	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-44.7	178.7	176.8	-172.2	171.3	-158.7	0	112.1	F947 E948 Y955	F947-K951 WeakPolarHBondContact O-CB 3.33Å; F947-K951 PolarHBondContact O-N 2.92Å; E948-K951 WeakPolarHBondContact O-CB 3.4Å; E948-K951 PolarHBondContact O-N 2.89Å; E948-K951 VanDerWaalsContact OE1-CD 3.29Å; E948-K951 WeakPolarHBondContact OE1-CD 3.26Å; E948-K951 IonicContact OE1-NZ 2.61Å; E948-K951 PolarHBondContact OE1-NZ 3.08Å; E948-K951 WeakPolarHBondContact OE2-CD 3.44Å; E948-K951 IonicContact OE2-NZ 2.8Å; E948-K951 PolarHBondContact OE2-NZ 2.82Å; K951-Y955 VanDerWaalsContact O-CB 3.3Å; K951-Y955 WeakPolarHBondContact O-CB 3.48Å; K951-Y955 PolarHBondContact O-N 2.87Å
952	Y	52.4	Low	51.3	Low	84 Å²	84	63.6 Å²	63.6	33%	0.329	30%	0.302	S	S	.	.	H	α-helix	trans	-67.9	-41.7	177	-79.3	-63.5	0	0	0	113.4	E948 L950 Y955 M956	E948-Y952 HydrophobicContact CB-CD2 4.38Å; E948-Y952 HydrophobicContact CB-CE2 4.31Å; E948-Y952 WeakPolarHBondContact O-CD2 3.2Å; E948-Y952 PolarHBondContact O-N 3.47Å; L950-Y952 PolarHBondContact O-N 3.42Å; Y952-Y955 PolarHBondContact O-N 3.02Å; Y952-M956 WeakPolarHBondContact O-CB 3.35Å; Y952-M956 WeakPolarHBondContact O-CG 3.48Å; Y952-M956 PolarHBondContact O-N 3.07Å
953	T	52.7	Low	51.7	Low	50 Å²	50	68.9 Å²	68.9	31%	0.307	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-47.2	177.4	48.1	0	0	0	0	111.4	L949 L950 Y955 M956 M957	L949-T953 WeakPolarHBondContact O-CB 3.09Å; L949-T953 WeakPolarHBondContact O-CG2 3.47Å; L949-T953 PolarHBondContact O-N 3.26Å; L949-T953 PolarHBondContact O-OG1 2.88Å; L950-T953 WeakPolarHBondContact CA-OG1 3.49Å; L950-T953 PolarHBondContact O-N 3.18Å; L950-T953 PolarHBondContact O-OG1 2.82Å; T953-Y955 PolarHBondContact O-N 2.97Å; T953-M956 PolarHBondContact O-N 2.73Å; T953-M957 VanDerWaalsContact O-CG 3.25Å; T953-M957 WeakPolarHBondContact O-CG 3.26Å; T953-M957 PolarHBondContact O-N 3.03Å
954	I	56.9	Low	53	Low	12 Å²	12	70.4 Å²	70.4	6%	0.062	33%	0.333	C	S	.	.	H	α-helix	trans	-55.7	-47.7	173.2	-78.2	178.3	0	0	0	111.7	L950 M957 L958 L989 I993	L950-I954 HydrophobicContact CD1-CD1 3.64Å; L950-I954 HydrophobicContact CD1-CG1 4.27Å; L950-I954 HydrophobicContact CG-CD1 3.97Å; L950-I954 VanDerWaalsContact O-CB 3.29Å; L950-I954 WeakPolarHBondContact O-CB 3.38Å; L950-I954 WeakPolarHBondContact O-CG1 3.41Å; L950-I954 PolarHBondContact O-N 3.07Å; I954-M957 PolarHBondContact O-N 3.01Å; I954-L958 HydrophobicContact CG2-CD1 3.89Å; I954-L958 PolarHBondContact O-N 2.91Å; I954-L989 HydrophobicContact CD1-CD2 4.45Å; I954-L989 HydrophobicContact CG2-CD2 3.34Å; I954-I993 HydrophobicContact CD1-CD1 3.73Å; I954-I993 HydrophobicContact CG2-CD1 4.47Å
955	Y	53.6	Low	54	Low	115 Å²	115	70.3 Å²	70.3	45%	0.451	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-45.5	179.1	-171.6	-93.1	0	0	0	111.8	K951 Y952 T953 M957 L958 M959	K951-Y955 VanDerWaalsContact O-CB 3.3Å; K951-Y955 WeakPolarHBondContact O-CB 3.48Å; K951-Y955 PolarHBondContact O-N 2.87Å; Y952-Y955 PolarHBondContact O-N 3.02Å; T953-Y955 PolarHBondContact O-N 2.97Å; Y955-M957 VanDerWaalsContact C-N 3.3Å; Y955-M957 PolarHBondContact O-N 3.14Å; Y955-L958 PolarHBondContact O-N 3.42Å; Y955-M959 HydrophobicContact CD1-CG 3.89Å; Y955-M959 HydrophobicContact CE1-CE 4.09Å; Y955-M959 HydrophobicContact CE1-CG 3.63Å; Y955-M959 HydrophobicContact CE1-SD 4.32Å; Y955-M959 HydrophobicContact CG-CG 4.49Å; Y955-M959 WeakPolarHBondContact O-CB 3.31Å; Y955-M959 VanDerWaalsContact O-CG 3.24Å; Y955-M959 WeakPolarHBondContact O-CG 3.42Å; Y955-M959 PolarHBondContact O-N 3Å
956	M	50.6	Low	54.7	Low	57 Å²	57	66.4 Å²	66.4	28%	0.281	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-34.2	177	-81.9	-72.8	-93.5	0	0	113.2	L789 Y952 T953 K960	L789-M956 HydrophobicContact CB-CE 4.01Å; L789-M956 HydrophobicContact CB-SD 4.28Å; L789-M956 HydrophobicContact CD2-CE 4.06Å; L789-M956 HydrophobicContact CD2-CG 3.64Å; L789-M956 HydrophobicContact CD2-SD 3.56Å; L789-M956 VanDerWaalsContact CD2-SD 3.56Å; Y952-M956 WeakPolarHBondContact O-CB 3.35Å; Y952-M956 WeakPolarHBondContact O-CG 3.48Å; Y952-M956 PolarHBondContact O-N 3.07Å; T953-M956 PolarHBondContact O-N 2.73Å; M956-K960 WeakPolarHBondContact O-CB 3.22Å; M956-K960 WeakPolarHBondContact O-CG 3.42Å; M956-K960 PolarHBondContact O-N 3.4Å
957	M	50.8	Low	55.6	Low	43 Å²	43	73.9 Å²	73.9	21%	0.212	34%	0.338	C	S	.	.	H	α-helix	trans	-70.6	-45.8	174.7	-70.2	169.5	150.8	0	0	112.2	S922 F923 T953 I954 Y955 M959 K960 H961	S922-M957 WeakPolarHBondContact O-CE 3.41Å; F923-M957 HydrophobicContact CD2-CB 3.98Å; F923-M957 HydrophobicContact CD2-SD 3.94Å; T953-M957 VanDerWaalsContact O-CG 3.25Å; T953-M957 WeakPolarHBondContact O-CG 3.26Å; T953-M957 PolarHBondContact O-N 3.03Å; I954-M957 PolarHBondContact O-N 3.01Å; Y955-M957 VanDerWaalsContact C-N 3.3Å; Y955-M957 PolarHBondContact O-N 3.14Å; M957-M959 VanDerWaalsContact C-N 3.34Å; M957-M959 PolarHBondContact O-N 3.38Å; M957-K960 PolarHBondContact O-N 3.48Å; M957-H961 PolarHBondContact O-N 3.38Å
958	L	56.3	Low	56.3	Low	10 Å²	10	77.2 Å²	77.2	5%	0.052	35%	0.354	C	S	.	.	H	α-helix	trans	-57.3	-47	173.8	-81.4	161.1	0	0	0	111	I954 Y955 K960 H961 I962 L985 T986 L989	I954-L958 HydrophobicContact CG2-CD1 3.89Å; I954-L958 PolarHBondContact O-N 2.91Å; Y955-L958 PolarHBondContact O-N 3.42Å; L958-K960 PolarHBondContact O-N 3.21Å; L958-H961 PolarHBondContact O-N 3.42Å; L958-I962 WeakPolarHBondContact O-CB 3.18Å; L958-I962 WeakPolarHBondContact O-CD1 3.19Å; L958-I962 VanDerWaalsContact O-CG1 3.22Å; L958-I962 WeakPolarHBondContact O-CG1 3.46Å; L958-I962 PolarHBondContact O-N 3.04Å; L958-L985 HydrophobicContact CD2-CD2 4.19Å; L958-T986 HydrophobicContact CD1-CG2 4.24Å; L958-L989 HydrophobicContact CD1-CD2 4.07Å
959	M	54.9	Low	56.9	Low	50 Å²	50	76.9 Å²	76.9	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-65.7	-37.5	179.6	-66.3	-64	-98.9	0	0	112.6	Y653 Y955 M957 I962 H963	Y653-M959 HydrophobicContact CE2-CE 4.35Å; Y653-M959 WeakPolarHBondContact OH-CE 3.24Å; Y955-M959 HydrophobicContact CD1-CG 3.89Å; Y955-M959 HydrophobicContact CE1-CE 4.09Å; Y955-M959 HydrophobicContact CE1-CG 3.63Å; Y955-M959 HydrophobicContact CE1-SD 4.32Å; Y955-M959 HydrophobicContact CG-CG 4.49Å; Y955-M959 WeakPolarHBondContact O-CB 3.31Å; Y955-M959 VanDerWaalsContact O-CG 3.24Å; Y955-M959 WeakPolarHBondContact O-CG 3.42Å; Y955-M959 PolarHBondContact O-N 3Å; M957-M959 VanDerWaalsContact C-N 3.34Å; M957-M959 PolarHBondContact O-N 3.38Å; M959-I962 HydrophobicContact SD-CD1 4.04Å; M959-H963 WeakPolarHBondContact O-CB 3.37Å; M959-H963 PolarHBondContact O-N 3.1Å
960	K	58.3	Low	56.7	Low	148 Å²	148	79.1 Å²	79.1	64%	0.643	38%	0.375	S	S	*	.	H	α-helix	trans	-61.9	-44.1	170	-80.5	179.8	176.5	-178.5	0	112.1	M956 M957 L958 H963 H964	M956-K960 WeakPolarHBondContact O-CB 3.22Å; M956-K960 WeakPolarHBondContact O-CG 3.42Å; M956-K960 PolarHBondContact O-N 3.4Å; M957-K960 PolarHBondContact O-N 3.48Å; L958-K960 PolarHBondContact O-N 3.21Å; K960-H963 PolarHBondContact O-N 3.45Å; K960-H964 WeakPolarHBondContact O-CB 3.26Å; K960-H964 PolarHBondContact O-N 2.89Å
961	H	58.3	Low	57.3	Low	88 Å²	88	81.6 Å²	81.6	41%	0.407	39%	0.388	S	S	.	.	H	α-helix	trans	-65.3	-43.8	178.5	-164.7	108.6	0	0	0	111.7	M957 L958 H964 K965 H982	M957-H961 PolarHBondContact O-N 3.38Å; L958-H961 PolarHBondContact O-N 3.42Å; H961-H964 PolarHBondContact O-N 3.44Å; H961-K965 WeakPolarHBondContact NE2-CE 3.13Å; H961-K965 WeakPolarHBondContact O-CB 3.23Å; H961-K965 WeakPolarHBondContact O-CG 3.34Å; H961-K965 PolarHBondContact O-N 2.96Å; H961-H982 AromaticContact CD2-CE1 3.57Å; H961-H982 AromaticContact CD2-NE2 3.65Å
962	I	56.1	Low	57.5	Low	34 Å²	34	83.8 Å²	83.8	17%	0.174	40%	0.4	C	S	.	.	H	α-helix	trans	-57.8	-51.5	174.7	-68.9	161.1	0	0	0	110	L958 M959 H964 K965 F966 H982	L958-I962 WeakPolarHBondContact O-CB 3.18Å; L958-I962 WeakPolarHBondContact O-CD1 3.19Å; L958-I962 VanDerWaalsContact O-CG1 3.22Å; L958-I962 WeakPolarHBondContact O-CG1 3.46Å; L958-I962 PolarHBondContact O-N 3.04Å; M959-I962 HydrophobicContact SD-CD1 4.04Å; I962-H964 VanDerWaalsContact C-N 3.3Å; I962-H964 PolarHBondContact O-N 2.84Å; I962-K965 PolarHBondContact O-N 3.01Å; I962-F966 HydrophobicContact CG2-CD2 3.78Å; I962-F966 HydrophobicContact CG2-CE2 3.85Å; I962-F966 WeakPolarHBondContact O-CB 3.19Å; I962-F966 WeakPolarHBondContact O-CD2 3.48Å; I962-F966 PolarHBondContact O-N 2.88Å; I962-H982 HydrophobicContact CD1-CB 3.86Å; I962-H982 HydrophobicContact CG1-CB 3.79Å; I962-H982 VanDerWaalsContact CG1-CG 3.45Å; I962-H982 WeakPolarHBondContact CG1-ND1 3.43Å
963	H	56.7	Low	57.8	Low	142 Å²	142	85.3 Å²	85.3	66%	0.657	41%	0.414	S	S	*	.	H	α-helix	trans	-60.8	-39.1	-179.7	-173.5	-130.3	0	0	0	112.2	M959 K960 K967	M959-H963 WeakPolarHBondContact O-CB 3.37Å; M959-H963 PolarHBondContact O-N 3.1Å; K960-H963 PolarHBondContact O-N 3.45Å; H963-K967 WeakPolarHBondContact O-CB 3.43Å; H963-K967 PolarHBondContact O-N 3.04Å
964	H	65	Low	58.5	Low	108 Å²	108	88.4 Å²	88.4	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-47	174.3	-172.7	-138.2	0	0	0	112.3	K960 H961 I962 F966 K967 Q968	K960-H964 WeakPolarHBondContact O-CB 3.26Å; K960-H964 PolarHBondContact O-N 2.89Å; H961-H964 PolarHBondContact O-N 3.44Å; I962-H964 VanDerWaalsContact C-N 3.3Å; I962-H964 PolarHBondContact O-N 2.84Å; H964-F966 PolarHBondContact O-N 3.41Å; H964-K967 PolarHBondContact O-N 3.09Å; H964-Q968 PolarHBondContact CE1-NE2 3Å; H964-Q968 PolarHBondContact NE2-NE2 3.12Å; H964-Q968 VanDerWaalsContact NE2-NE2 3.19Å; H964-Q968 WeakPolarHBondContact O-CG 3.49Å; H964-Q968 PolarHBondContact O-N 3.06Å; H964-Q968 VanDerWaalsContact O-N 3.15Å
965	K	63.6	Low	58.3	Low	80 Å²	80	90.3 Å²	90.3	35%	0.348	43%	0.431	S	S	.	.	H	α-helix	trans	-63.5	-38	176.5	-72.9	-70.4	-175.5	-177.4	0	112.8	H961 I962 Q968 Q969 I978	H961-K965 WeakPolarHBondContact NE2-CE 3.13Å; H961-K965 WeakPolarHBondContact O-CB 3.23Å; H961-K965 WeakPolarHBondContact O-CG 3.34Å; H961-K965 PolarHBondContact O-N 2.96Å; I962-K965 PolarHBondContact O-N 3.01Å; K965-Q968 PolarHBondContact O-N 3.28Å; K965-Q969 WeakPolarHBondContact O-CG 3.37Å; K965-Q969 PolarHBondContact O-N 3.26Å; K965-I978 HydrophobicContact CB-CD1 4.45Å; K965-I978 HydrophobicContact CB-CG2 4.04Å
966	F	59.5	Low	58.4	Low	65 Å²	65	88.6 Å²	88.6	29%	0.285	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-47	173.7	-95.6	-114.2	0	0	0	111.4	I962 H964 Q968 Q969 Q975 I978 A979	I962-F966 HydrophobicContact CG2-CD2 3.78Å; I962-F966 HydrophobicContact CG2-CE2 3.85Å; I962-F966 WeakPolarHBondContact O-CB 3.19Å; I962-F966 WeakPolarHBondContact O-CD2 3.48Å; I962-F966 PolarHBondContact O-N 2.88Å; H964-F966 PolarHBondContact O-N 3.41Å; F966-Q968 PolarHBondContact O-N 2.92Å; F966-Q969 PolarHBondContact O-N 2.84Å; F966-Q975 HydrophobicContact CD1-CB 4.24Å; F966-Q975 HydrophobicContact CD1-CG 4.13Å; F966-Q975 HydrophobicContact CE1-CB 3.87Å; F966-Q975 HydrophobicContact CE1-CG 4.26Å; F966-Q975 HydrophobicContact CZ-CB 4.09Å; F966-I978 HydrophobicContact CD2-CG2 4.16Å; F966-I978 HydrophobicContact CE2-CG2 4.05Å; F966-A979 HydrophobicContact CE2-CB 4.34Å; F966-A979 HydrophobicContact CZ-CB 4.11Å
967	K	63	Low	59.2	Low	180 Å²	180	89.5 Å²	89.5	78%	0.783	44%	0.442	S	S	*	.	H	α-helix	trans	-62.1	-24	177.4	-166.9	177	180	-175	0	113.1	H963 H964	H963-K967 WeakPolarHBondContact O-CB 3.43Å; H963-K967 PolarHBondContact O-N 3.04Å; H964-K967 PolarHBondContact O-N 3.09Å
968	Q	65.4	Low	59.7	Low	103 Å²	103	89 Å²	89	48%	0.481	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.9	175.3	-70.8	-179.1	-5.9	0	0	114.8	H964 K965 F966	H964-Q968 PolarHBondContact CE1-NE2 3Å; H964-Q968 PolarHBondContact NE2-NE2 3.12Å; H964-Q968 VanDerWaalsContact NE2-NE2 3.19Å; H964-Q968 WeakPolarHBondContact O-CG 3.49Å; H964-Q968 PolarHBondContact O-N 3.06Å; H964-Q968 VanDerWaalsContact O-N 3.15Å; K965-Q968 PolarHBondContact O-N 3.28Å; F966-Q968 PolarHBondContact O-N 2.92Å
969	Q	62.9	Low	59.7	Low	58 Å²	58	90 Å²	90	27%	0.271	45%	0.449	S	S	.	.			trans	-128.3	114	-174.3	-65.9	-62	-46.3	0	0	112.4	K965 F966 Q975 I978	K965-Q969 WeakPolarHBondContact O-CG 3.37Å; K965-Q969 PolarHBondContact O-N 3.26Å; F966-Q969 PolarHBondContact O-N 2.84Å; Q969-Q975 HydrophobicContact CB-CG 4.2Å; Q969-Q975 PolarHBondContact O-NE2 3.32Å; Q969-I978 HydrophobicContact CG-CD1 3.68Å
970	S	45.6	Very low	60.1	Low	130 Å²	130	94.7 Å²	94.7	91%	0.909	47%	0.468	S	S	*	.			trans	-78.1	-20.2	174	54	0	0	0	0	114.2
971	N	66.6	Low	60.5	Low	75 Å²	75	92.4 Å²	92.4	40%	0.401	46%	0.463	S	S	.	.			trans	-90.4	116.7	-174.7	-175.3	-46.9	0	0	0	111.3	N973 K974 Q975	N971-N973 VanDerWaalsContact C-N 3.29Å; N971-N973 PolarHBondContact O-N 3.42Å; N971-N973 WeakPolarHBondContact OD1-CB 3.12Å; N971-N973 PolarHBondContact OD1-N 2.89Å; N971-K974 HydrophobicContact CB-CB 4.26Å; N971-K974 HydrophobicContact CB-CD 4.2Å; N971-K974 HydrophobicContact CB-CG 4.07Å; N971-K974 WeakPolarHBondContact O-CA 2.9Å; N971-K974 WeakPolarHBondContact O-CB 3.45Å; N971-K974 PolarHBondContact O-N 2.63Å; N971-K974 PolarHBondContact OD1-N 2.78Å; N971-Q975 PolarHBondContact O-N 2.97Å
972	H	57.6	Low	60.6	Low	128 Å²	128	89.4 Å²	89.4	59%	0.593	45%	0.449	S	S	*	.	H	α-helix	trans	-53	-40.4	179.7	-173.5	-93.3	0	0	0	113.5	K974 Q975 V976	H972-K974 VanDerWaalsContact C-N 3.3Å; H972-K974 PolarHBondContact O-N 2.69Å; H972-Q975 WeakPolarHBondContact O-CB 3.46Å; H972-Q975 PolarHBondContact O-N 3.38Å; H972-V976 WeakPolarHBondContact O-CG2 3.35Å; H972-V976 PolarHBondContact O-N 3.08Å
973	N	60.3	Low	60.8	Low	116 Å²	116	95.2 Å²	95.2	62%	0.62	47%	0.469	S	S	*	.	H	α-helix	trans	-69	-30.5	179.3	-65.1	-6.8	0	0	0	111.9	N971 T977	N971-N973 VanDerWaalsContact C-N 3.29Å; N971-N973 PolarHBondContact O-N 3.42Å; N971-N973 WeakPolarHBondContact OD1-CB 3.12Å; N971-N973 PolarHBondContact OD1-N 2.89Å; N973-T977 WeakPolarHBondContact O-CB 3.26Å; N973-T977 PolarHBondContact O-N 2.95Å; N973-T977 PolarHBondContact O-OG1 3.31Å
974	K	66.3	Low	61.2	Low	115 Å²	115	90.8 Å²	90.8	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-71.1	-41.1	170.7	-64.9	-172.3	179	-177.6	0	111.3	N971 H972 T977 I978	N971-K974 HydrophobicContact CB-CB 4.26Å; N971-K974 HydrophobicContact CB-CD 4.2Å; N971-K974 HydrophobicContact CB-CG 4.07Å; N971-K974 WeakPolarHBondContact O-CA 2.9Å; N971-K974 WeakPolarHBondContact O-CB 3.45Å; N971-K974 PolarHBondContact O-N 2.63Å; N971-K974 PolarHBondContact OD1-N 2.78Å; H972-K974 VanDerWaalsContact C-N 3.3Å; H972-K974 PolarHBondContact O-N 2.69Å; K974-T977 PolarHBondContact O-N 3.43Å; K974-I978 WeakPolarHBondContact O-CB 3.46Å; K974-I978 WeakPolarHBondContact O-CD1 3.34Å; K974-I978 VanDerWaalsContact O-CG1 3.26Å; K974-I978 WeakPolarHBondContact O-CG1 3.33Å; K974-I978 PolarHBondContact O-N 3.44Å
975	Q	52.9	Low	61.2	Low	51 Å²	51	89.8 Å²	89.8	24%	0.238	45%	0.45	C	S	.	.	H	α-helix	trans	-59.6	-46	173.6	-67	179.4	-4.8	0	0	112	F966 Q969 N971 H972 T977 I978 A979	F966-Q975 HydrophobicContact CD1-CB 4.24Å; F966-Q975 HydrophobicContact CD1-CG 4.13Å; F966-Q975 HydrophobicContact CE1-CB 3.87Å; F966-Q975 HydrophobicContact CE1-CG 4.26Å; F966-Q975 HydrophobicContact CZ-CB 4.09Å; Q969-Q975 HydrophobicContact CB-CG 4.2Å; Q969-Q975 PolarHBondContact O-NE2 3.32Å; N971-Q975 PolarHBondContact O-N 2.97Å; H972-Q975 WeakPolarHBondContact O-CB 3.46Å; H972-Q975 PolarHBondContact O-N 3.38Å; Q975-T977 PolarHBondContact O-N 3.15Å; Q975-I978 PolarHBondContact O-N 2.94Å; Q975-A979 WeakPolarHBondContact O-CB 3.42Å; Q975-A979 PolarHBondContact O-N 2.86Å
976	V	56.6	Low	60.8	Low	80 Å²	80	87 Å²	87	49%	0.485	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-41.1	175.3	171.3	0	0	0	0	111.8	H972 A979 K980	H972-V976 WeakPolarHBondContact O-CG2 3.35Å; H972-V976 PolarHBondContact O-N 3.08Å; V976-A979 PolarHBondContact O-N 3.38Å; V976-K980 WeakPolarHBondContact O-CB 3.49Å; V976-K980 PolarHBondContact O-N 3Å
977	T	67.2	Low	60.7	Low	76 Å²	76	90 Å²	90	47%	0.466	45%	0.45	S	S	.	.	H	α-helix	trans	-64.1	-43	175.8	-56.8	0	0	0	0	111.5	N973 K974 Q975 K980 N981	N973-T977 WeakPolarHBondContact O-CB 3.26Å; N973-T977 PolarHBondContact O-N 2.95Å; N973-T977 PolarHBondContact O-OG1 3.31Å; K974-T977 PolarHBondContact O-N 3.43Å; Q975-T977 PolarHBondContact O-N 3.15Å; T977-K980 PolarHBondContact O-N 3.16Å; T977-N981 WeakPolarHBondContact O-CB 3.42Å; T977-N981 VanDerWaalsContact O-CG 3.23Å; T977-N981 PolarHBondContact O-N 2.97Å
978	I	61.2	Low	60.6	Low	32 Å²	32	89.6 Å²	89.6	16%	0.164	44%	0.443	C	S	.	.	H	α-helix	trans	-62.4	-44.9	175.3	-72.8	164.9	0	0	0	110.5	K965 F966 Q969 K974 Q975 N981 H982	K965-I978 HydrophobicContact CB-CD1 4.45Å; K965-I978 HydrophobicContact CB-CG2 4.04Å; F966-I978 HydrophobicContact CD2-CG2 4.16Å; F966-I978 HydrophobicContact CE2-CG2 4.05Å; Q969-I978 HydrophobicContact CG-CD1 3.68Å; K974-I978 WeakPolarHBondContact O-CB 3.46Å; K974-I978 WeakPolarHBondContact O-CD1 3.34Å; K974-I978 VanDerWaalsContact O-CG1 3.26Å; K974-I978 WeakPolarHBondContact O-CG1 3.33Å; K974-I978 PolarHBondContact O-N 3.44Å; Q975-I978 PolarHBondContact O-N 2.94Å; I978-N981 PolarHBondContact O-N 3.45Å; I978-H982 WeakPolarHBondContact O-CB 3.47Å; I978-H982 PolarHBondContact O-CD2 2.85Å; I978-H982 PolarHBondContact O-N 3.35Å
979	A	56.2	Low	60.5	Low	30 Å²	30	86.7 Å²	86.7	25%	0.248	43%	0.431	C	S	.	.	H	α-helix	trans	-59.3	-48.3	176	0	0	0	0	0	112	F966 Q975 V976 N981 H982 W983	F966-A979 HydrophobicContact CE2-CB 4.34Å; F966-A979 HydrophobicContact CZ-CB 4.11Å; Q975-A979 WeakPolarHBondContact O-CB 3.42Å; Q975-A979 PolarHBondContact O-N 2.86Å; V976-A979 PolarHBondContact O-N 3.38Å; A979-N981 PolarHBondContact O-N 2.77Å; A979-H982 PolarHBondContact O-N 2.96Å; A979-W983 VanDerWaalsContact O-CB 3.31Å; A979-W983 WeakPolarHBondContact O-CB 3.26Å; A979-W983 PolarHBondContact O-N 2.64Å
980	K	62.9	Low	60.1	Low	149 Å²	149	87.5 Å²	87.5	65%	0.648	44%	0.437	S	S	*	.	H	α-helix	trans	-62.2	-42.1	178.7	-171.7	174.4	-178.6	178.2	0	112.1	V976 T977 T984	V976-K980 WeakPolarHBondContact O-CB 3.49Å; V976-K980 PolarHBondContact O-N 3Å; T977-K980 PolarHBondContact O-N 3.16Å; K980-T984 WeakPolarHBondContact O-CB 3.24Å; K980-T984 PolarHBondContact O-N 3.41Å; K980-T984 PolarHBondContact O-OG1 3.15Å
981	N	66.4	Low	61	Low	100 Å²	100	85.5 Å²	85.5	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-68.2	-43	177.8	-70.7	-4.5	0	0	0	111.7	T977 I978 A979 T984 L985	T977-N981 WeakPolarHBondContact O-CB 3.42Å; T977-N981 VanDerWaalsContact O-CG 3.23Å; T977-N981 PolarHBondContact O-N 2.97Å; I978-N981 PolarHBondContact O-N 3.45Å; A979-N981 PolarHBondContact O-N 2.77Å; N981-T984 PolarHBondContact O-N 3Å; N981-L985 WeakPolarHBondContact O-CB 3.22Å; N981-L985 PolarHBondContact O-N 3.47Å
982	H	61.3	Low	60.6	Low	25 Å²	25	90.8 Å²	90.8	12%	0.116	43%	0.428	C	S	.	.	H	α-helix	trans	-67.5	-39.4	175.7	-90.2	-84.5	0	0	0	112.8	H961 I962 I978 A979 T984 L985 T986	H961-H982 AromaticContact CD2-CE1 3.57Å; H961-H982 AromaticContact CD2-NE2 3.65Å; I962-H982 HydrophobicContact CD1-CB 3.86Å; I962-H982 HydrophobicContact CG1-CB 3.79Å; I962-H982 VanDerWaalsContact CG1-CG 3.45Å; I962-H982 WeakPolarHBondContact CG1-ND1 3.43Å; I978-H982 WeakPolarHBondContact O-CB 3.47Å; I978-H982 PolarHBondContact O-CD2 2.85Å; I978-H982 PolarHBondContact O-N 3.35Å; A979-H982 PolarHBondContact O-N 2.96Å; H982-T984 VanDerWaalsContact C-N 3.33Å; H982-T984 PolarHBondContact O-N 2.76Å; H982-L985 PolarHBondContact O-N 2.75Å; H982-T986 WeakPolarHBondContact O-CB 3.16Å; H982-T986 PolarHBondContact O-N 3.38Å; H982-T986 PolarHBondContact O-OG1 3.07Å
983	W	60.1	Low	60.6	Low	156 Å²	156	85.5 Å²	85.5	59%	0.591	40%	0.404	S	S	*	.	H	α-helix	trans	-60.9	-44.1	174.1	-175.4	86.4	0	0	0	111.2	A979 L985 T986 Y987	A979-W983 VanDerWaalsContact O-CB 3.31Å; A979-W983 WeakPolarHBondContact O-CB 3.26Å; A979-W983 PolarHBondContact O-N 2.64Å; W983-L985 VanDerWaalsContact C-N 3.34Å; W983-L985 PolarHBondContact O-N 3.37Å; W983-T986 PolarHBondContact O-N 3.02Å; W983-Y987 WeakPolarHBondContact O-CB 3.43Å; W983-Y987 PolarHBondContact O-N 3.35Å
984	T	64.8	Low	60.5	Low	49 Å²	49	86.3 Å²	86.3	30%	0.301	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-39.9	174.4	-53.5	0	0	0	0	112.1	K980 N981 H982 R988	K980-T984 WeakPolarHBondContact O-CB 3.24Å; K980-T984 PolarHBondContact O-N 3.41Å; K980-T984 PolarHBondContact O-OG1 3.15Å; N981-T984 PolarHBondContact O-N 3Å; H982-T984 VanDerWaalsContact C-N 3.33Å; H982-T984 PolarHBondContact O-N 2.76Å; T984-R988 WeakPolarHBondContact O-CB 3.34Å; T984-R988 WeakPolarHBondContact O-CG 3.47Å; T984-R988 PolarHBondContact O-N 2.9Å; T984-R988 VanDerWaalsContact O-N 3.07Å
985	L	64.5	Low	60.2	Low	88 Å²	88	84.6 Å²	84.6	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-49.9	175.9	-179.4	62.8	0	0	0	111.5	L958 N981 H982 W983 Y987 R988 L989	L958-L985 HydrophobicContact CD2-CD2 4.19Å; N981-L985 WeakPolarHBondContact O-CB 3.22Å; N981-L985 PolarHBondContact O-N 3.47Å; H982-L985 PolarHBondContact O-N 2.75Å; W983-L985 VanDerWaalsContact C-N 3.34Å; W983-L985 PolarHBondContact O-N 3.37Å; L985-Y987 VanDerWaalsContact C-N 3.33Å; L985-Y987 PolarHBondContact O-N 3.08Å; L985-R988 PolarHBondContact O-N 3.49Å; L985-L989 WeakPolarHBondContact O-CB 3.45Å; L985-L989 PolarHBondContact O-N 2.91Å
986	T	56	Low	60.5	Low	22 Å²	22	87.6 Å²	87.6	14%	0.135	41%	0.412	C	S	.	.	H	α-helix	trans	-59.7	-42.3	178.1	-55.6	0	0	0	0	111.4	L958 H982 W983 L989 N990	L958-T986 HydrophobicContact CD1-CG2 4.24Å; H982-T986 WeakPolarHBondContact O-CB 3.16Å; H982-T986 PolarHBondContact O-N 3.38Å; H982-T986 PolarHBondContact O-OG1 3.07Å; W983-T986 PolarHBondContact O-N 3.02Å; T986-L989 PolarHBondContact O-N 3.25Å; T986-N990 WeakPolarHBondContact O-CB 3.4Å; T986-N990 PolarHBondContact O-N 2.99Å
987	Y	57.8	Low	60.5	Low	127 Å²	127	86.2 Å²	86.2	50%	0.498	40%	0.4	S	S	.	.	H	α-helix	trans	-61.4	-48.7	175.2	-178.6	-95.9	0	0	0	112.1	W983 L985 L989 N990 Q991	W983-Y987 WeakPolarHBondContact O-CB 3.43Å; W983-Y987 PolarHBondContact O-N 3.35Å; L985-Y987 VanDerWaalsContact C-N 3.33Å; L985-Y987 PolarHBondContact O-N 3.08Å; Y987-L989 VanDerWaalsContact C-N 3.29Å; Y987-L989 PolarHBondContact O-N 3.48Å; Y987-N990 PolarHBondContact O-N 3.15Å; Y987-Q991 HydrophobicContact CD1-CG 4.28Å; Y987-Q991 HydrophobicContact CE1-CG 3.86Å; Y987-Q991 WeakPolarHBondContact O-CB 3.42Å; Y987-Q991 WeakPolarHBondContact O-CG 3.04Å; Y987-Q991 PolarHBondContact O-N 3.36Å; Y987-Q991 PolarHBondContact OH-NE2 3.14Å
988	R	60.4	Low	60.2	Low	171 Å²	171	86 Å²	86	65%	0.645	39%	0.394	S	S	*	.	H	α-helix	trans	-62.9	-33.9	176.3	-76.2	176.4	171.8	-169.8	-3.5	112.9	T984 L985 R992	T984-R988 WeakPolarHBondContact O-CB 3.34Å; T984-R988 WeakPolarHBondContact O-CG 3.47Å; T984-R988 PolarHBondContact O-N 2.9Å; T984-R988 VanDerWaalsContact O-N 3.07Å; L985-R988 PolarHBondContact O-N 3.49Å; R988-R992 WeakPolarHBondContact O-CG 3.46Å; R988-R992 PolarHBondContact O-N 2.93Å; R988-R992 VanDerWaalsContact O-N 3.12Å
989	L	63.5	Low	60.2	Low	43 Å²	43	88.9 Å²	88.9	23%	0.225	41%	0.408	C	S	.	.	H	α-helix	trans	-72.4	-46.2	178.1	-158.4	77.6	0	0	0	110.9	I954 L958 L985 T986 Y987 Q991 R992 I993	I954-L989 HydrophobicContact CD1-CD2 4.45Å; I954-L989 HydrophobicContact CG2-CD2 3.34Å; L958-L989 HydrophobicContact CD1-CD2 4.07Å; L985-L989 WeakPolarHBondContact O-CB 3.45Å; L985-L989 PolarHBondContact O-N 2.91Å; T986-L989 PolarHBondContact O-N 3.25Å; Y987-L989 VanDerWaalsContact C-N 3.29Å; Y987-L989 PolarHBondContact O-N 3.48Å; L989-Q991 VanDerWaalsContact C-N 3.33Å; L989-Q991 PolarHBondContact O-N 3.29Å; L989-R992 PolarHBondContact O-N 3.34Å; L989-R992 VanDerWaalsContact O-N 3.16Å; L989-I993 HydrophobicContact CD2-CD1 4.32Å; L989-I993 HydrophobicContact CG-CD1 3.99Å; L989-I993 WeakPolarHBondContact O-CB 3.44Å; L989-I993 WeakPolarHBondContact O-CD1 3.31Å; L989-I993 VanDerWaalsContact O-CG1 3.25Å; L989-I993 WeakPolarHBondContact O-CG1 3.44Å; L989-I993 PolarHBondContact O-N 3.35Å
990	N	54.8	Low	60	Low	74 Å²	74	89.5 Å²	89.5	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-59.6	-41.5	174	-75.6	-6.3	0	0	0	112	T986 Y987 I993 Y994	T986-N990 WeakPolarHBondContact O-CB 3.4Å; T986-N990 PolarHBondContact O-N 2.99Å; Y987-N990 PolarHBondContact O-N 3.15Å; N990-I993 PolarHBondContact O-N 3.41Å; N990-Y994 WeakPolarHBondContact O-CB 3.29Å; N990-Y994 PolarHBondContact O-N 2.87Å
991	Q	63.3	Low	59.4	Low	88 Å²	88	84.5 Å²	84.5	41%	0.411	39%	0.391	S	S	.	.	H	α-helix	trans	-57.4	-48	172.1	-81.6	-89.8	-27.7	0	0	112	Y987 L989 Y994 N995	Y987-Q991 HydrophobicContact CD1-CG 4.28Å; Y987-Q991 HydrophobicContact CE1-CG 3.86Å; Y987-Q991 WeakPolarHBondContact O-CB 3.42Å; Y987-Q991 WeakPolarHBondContact O-CG 3.04Å; Y987-Q991 PolarHBondContact O-N 3.36Å; Y987-Q991 PolarHBondContact OH-NE2 3.14Å; L989-Q991 VanDerWaalsContact C-N 3.33Å; L989-Q991 PolarHBondContact O-N 3.29Å; Q991-Y994 PolarHBondContact O-N 3.26Å; Q991-N995 VanDerWaalsContact O-CG 3.27Å; Q991-N995 PolarHBondContact O-N 2.88Å; Q991-N995 PolarHBondContact O-OD1 3.33Å
992	R	59.3	Low	58.9	Low	187 Å²	187	85.5 Å²	85.5	71%	0.706	39%	0.393	S	S	*	.	H	α-helix	trans	-64.1	-40.4	176	-76.5	-179.2	170.6	-164.2	-4.9	113	R988 L989 N995 L996	R988-R992 WeakPolarHBondContact O-CG 3.46Å; R988-R992 PolarHBondContact O-N 2.93Å; R988-R992 VanDerWaalsContact O-N 3.12Å; L989-R992 PolarHBondContact O-N 3.34Å; L989-R992 VanDerWaalsContact O-N 3.16Å; R992-N995 PolarHBondContact O-N 3.25Å; R992-L996 WeakPolarHBondContact O-CB 3.29Å; R992-L996 WeakPolarHBondContact O-CG 3.22Å; R992-L996 PolarHBondContact O-N 2.86Å
993	I	57.1	Low	58.5	Low	17 Å²	17	89.1 Å²	89.1	9%	0.087	41%	0.412	C	S	.	.	H	α-helix	trans	-64.9	-40.5	177.8	-72.7	165	0	0	0	110.8	F947 I954 L989 N990 L996 F997	F947-I993 HydrophobicContact CE1-CG2 4.31Å; F947-I993 HydrophobicContact CE2-CG2 3.51Å; F947-I993 WeakPolarHBondContact CE2-O 3.42Å; F947-I993 HydrophobicContact CZ-CG2 3.36Å; I954-I993 HydrophobicContact CD1-CD1 3.73Å; I954-I993 HydrophobicContact CG2-CD1 4.47Å; L989-I993 HydrophobicContact CD2-CD1 4.32Å; L989-I993 HydrophobicContact CG-CD1 3.99Å; L989-I993 WeakPolarHBondContact O-CB 3.44Å; L989-I993 WeakPolarHBondContact O-CD1 3.31Å; L989-I993 VanDerWaalsContact O-CG1 3.25Å; L989-I993 WeakPolarHBondContact O-CG1 3.44Å; L989-I993 PolarHBondContact O-N 3.35Å; N990-I993 PolarHBondContact O-N 3.41Å; I993-L996 PolarHBondContact O-N 3.34Å; I993-F997 PolarHBondContact O-N 3.41Å
994	Y	57.3	Low	58.1	Low	132 Å²	132	85 Å²	85	52%	0.518	40%	0.402	S	S	.	.	H	α-helix	trans	-65.8	-43.1	174	-179.8	-99.3	0	0	0	112.3	N990 Q991 L996 F997 Q998	N990-Y994 WeakPolarHBondContact O-CB 3.29Å; N990-Y994 PolarHBondContact O-N 2.87Å; Q991-Y994 PolarHBondContact O-N 3.26Å; Y994-L996 VanDerWaalsContact C-N 3.35Å; Y994-L996 PolarHBondContact O-N 2.94Å; Y994-F997 WeakPolarHBondContact O-CB 3.22Å; Y994-F997 PolarHBondContact O-N 3.06Å; Y994-F997 VanDerWaalsContact O-N 3.13Å; Y994-Q998 HydrophobicContact CD1-CG 4.41Å; Y994-Q998 HydrophobicContact CE1-CG 4Å; Y994-Q998 PolarHBondContact O-N 3.15Å; Y994-Q998 PolarHBondContact OH-NE2 3.21Å
995	N	60.5	Low	57.2	Low	80 Å²	80	86.7 Å²	86.7	43%	0.428	41%	0.409	S	S	.	.	H	α-helix	trans	-66	-38.2	176.7	-66.3	6.1	0	0	0	111.6	Q991 R992 F997 Q998 I999	Q991-N995 VanDerWaalsContact O-CG 3.27Å; Q991-N995 PolarHBondContact O-N 2.88Å; Q991-N995 PolarHBondContact O-OD1 3.33Å; R992-N995 PolarHBondContact O-N 3.25Å; N995-F997 VanDerWaalsContact C-N 3.3Å; N995-F997 PolarHBondContact O-N 3.23Å; N995-Q998 PolarHBondContact O-N 3.26Å; N995-I999 VanDerWaalsContact O-CG1 3.3Å; N995-I999 WeakPolarHBondContact O-CG1 3.22Å; N995-I999 PolarHBondContact O-N 3.18Å
996	L	60	Low	56.6	Low	114 Å²	114	86.9 Å²	86.9	60%	0.597	41%	0.409	S	S	*	.	H	α-helix	trans	-62.1	-35.8	171.1	-80.7	162.1	0	0	0	112.4	R992 I993 Y994 S1000	R992-L996 WeakPolarHBondContact O-CB 3.29Å; R992-L996 WeakPolarHBondContact O-CG 3.22Å; R992-L996 PolarHBondContact O-N 2.86Å; I993-L996 PolarHBondContact O-N 3.34Å; Y994-L996 VanDerWaalsContact C-N 3.35Å; Y994-L996 PolarHBondContact O-N 2.94Å; L996-S1000 WeakPolarHBondContact O-CB 3.18Å; L996-S1000 PolarHBondContact O-N 3.37Å
997	F	55.1	Low	56.1	Low	50 Å²	50	90.8 Å²	90.8	22%	0.219	43%	0.426	C	S	.	.	H	α-helix	trans	-67.9	-42.1	174.2	-175.8	-114.2	0	0	0	112.4	T944 F947 I993 Y994 N995 S1000 N1001	T944-F997 HydrophobicContact CG2-CE2 4.36Å; T944-F997 HydrophobicContact CG2-CZ 4.31Å; F947-F997 HydrophobicContact CD1-CD2 4.16Å; F947-F997 HydrophobicContact CD1-CE2 4.46Å; F947-F997 HydrophobicContact CD2-CB 4.4Å; F947-F997 AromaticContact CD2-CD2 3.98Å; F947-F997 HydrophobicContact CD2-CD2 3.98Å; F947-F997 HydrophobicContact CE1-CB 4.32Å; F947-F997 HydrophobicContact CE1-CD2 4.18Å; F947-F997 HydrophobicContact CE1-CG 4.18Å; F947-F997 HydrophobicContact CE2-CB 3.62Å; F947-F997 HydrophobicContact CE2-CD2 4Å; F947-F997 HydrophobicContact CE2-CG 4.11Å; F947-F997 HydrophobicContact CG-CD2 4.05Å; F947-F997 HydrophobicContact CG-CE2 4.48Å; F947-F997 HydrophobicContact CZ-CB 3.54Å; F947-F997 HydrophobicContact CZ-CD2 4.08Å; F947-F997 AromaticContact CZ-CG 3.89Å; F947-F997 HydrophobicContact CZ-CG 3.89Å; I993-F997 PolarHBondContact O-N 3.41Å; Y994-F997 WeakPolarHBondContact O-CB 3.22Å; Y994-F997 PolarHBondContact O-N 3.06Å; Y994-F997 VanDerWaalsContact O-N 3.13Å; N995-F997 VanDerWaalsContact C-N 3.3Å; N995-F997 PolarHBondContact O-N 3.23Å; F997-S1000 PolarHBondContact O-N 3.48Å; F997-N1001 WeakPolarHBondContact CD1-ND2 3.4Å; F997-N1001 WeakPolarHBondContact CE1-ND2 3.48Å; F997-N1001 WeakPolarHBondContact CZ-ND2 3.37Å; F997-N1001 WeakPolarHBondContact O-CB 3.32Å; F997-N1001 VanDerWaalsContact O-CG 3.24Å; F997-N1001 PolarHBondContact O-N 2.75Å; F997-N1001 PolarHBondContact O-ND2 3.11Å; F997-N1001 VanDerWaalsContact O-ND2 3.15Å
998	Q	61.7	Low	55.4	Low	73 Å²	73	89.1 Å²	89.1	34%	0.341	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-49.3	174.9	-67.9	-64.7	3.2	0	0	111	Y994 N995 S1000 N1001 E1002	Y994-Q998 HydrophobicContact CD1-CG 4.41Å; Y994-Q998 HydrophobicContact CE1-CG 4Å; Y994-Q998 PolarHBondContact O-N 3.15Å; Y994-Q998 PolarHBondContact OH-NE2 3.21Å; N995-Q998 PolarHBondContact O-N 3.26Å; Q998-S1000 VanDerWaalsContact C-N 3.3Å; Q998-S1000 PolarHBondContact O-N 3.45Å; Q998-N1001 PolarHBondContact O-N 3.42Å; Q998-N1001 VanDerWaalsContact O-N 3.09Å; Q998-E1002 WeakPolarHBondContact O-CG 3.38Å; Q998-E1002 PolarHBondContact O-N 2.74Å
999	I	61.9	Low	54.3	Low	91 Å²	91	86.9 Å²	86.9	47%	0.467	42%	0.417	S	S	.	.	H	α-helix	trans	-58.3	-41.9	174.9	-65.8	163.4	0	0	0	111.1	N995 N1001 E1002 L1003	N995-I999 VanDerWaalsContact O-CG1 3.3Å; N995-I999 WeakPolarHBondContact O-CG1 3.22Å; N995-I999 PolarHBondContact O-N 3.18Å; I999-N1001 VanDerWaalsContact C-N 3.34Å; I999-N1001 PolarHBondContact O-N 3.45Å; I999-E1002 PolarHBondContact O-N 2.76Å; I999-L1003 HydrophobicContact CG2-CD1 3.91Å; I999-L1003 HydrophobicContact CG2-CG 4.37Å; I999-L1003 WeakPolarHBondContact O-CB 3.47Å; I999-L1003 VanDerWaalsContact O-CG 3.26Å; I999-L1003 WeakPolarHBondContact O-CG 3.47Å; I999-L1003 PolarHBondContact O-N 3.14Å
1000	S	52.3	Low	53.3	Low	44 Å²	44	88.1 Å²	88.1	31%	0.308	42%	0.422	S	S	.	.	H	α-helix	trans	-66.5	-33.2	177.3	-171.9	0	0	0	0	113	L996 F997 Q998 L1004	L996-S1000 WeakPolarHBondContact O-CB 3.18Å; L996-S1000 PolarHBondContact O-N 3.37Å; F997-S1000 PolarHBondContact O-N 3.48Å; Q998-S1000 VanDerWaalsContact C-N 3.3Å; Q998-S1000 PolarHBondContact O-N 3.45Å; S1000-L1004 VanDerWaalsContact O-CB 3.25Å; S1000-L1004 WeakPolarHBondContact O-CB 3.35Å; S1000-L1004 PolarHBondContact O-N 2.84Å
1001	N	49.7	Very low	52.6	Low	43 Å²	43	90.1 Å²	90.1	23%	0.23	43%	0.433	C	S	.	.	H	α-helix	trans	-76.3	-37.9	174.9	-71.2	-33.9	0	0	0	111.3	F997 Q998 I999 L1004 N1005	F997-N1001 WeakPolarHBondContact CD1-ND2 3.4Å; F997-N1001 WeakPolarHBondContact CE1-ND2 3.48Å; F997-N1001 WeakPolarHBondContact CZ-ND2 3.37Å; F997-N1001 WeakPolarHBondContact O-CB 3.32Å; F997-N1001 VanDerWaalsContact O-CG 3.24Å; F997-N1001 PolarHBondContact O-N 2.75Å; F997-N1001 PolarHBondContact O-ND2 3.11Å; F997-N1001 VanDerWaalsContact O-ND2 3.15Å; Q998-N1001 PolarHBondContact O-N 3.42Å; Q998-N1001 VanDerWaalsContact O-N 3.09Å; I999-N1001 VanDerWaalsContact C-N 3.34Å; I999-N1001 PolarHBondContact O-N 3.45Å; N1001-L1004 PolarHBondContact O-N 2.9Å; N1001-N1005 WeakPolarHBondContact O-CB 3.41Å; N1001-N1005 PolarHBondContact O-N 2.9Å; N1001-N1005 PolarHBondContact O-ND2 3.25Å
1002	E	56.2	Low	51.6	Low	121 Å²	121	90.9 Å²	90.9	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-61.8	-49.5	173.2	-73.8	174.3	167.1	0	0	110.2	Q998 I999 L1004 N1005 I1006	Q998-E1002 WeakPolarHBondContact O-CG 3.38Å; Q998-E1002 PolarHBondContact O-N 2.74Å; I999-E1002 PolarHBondContact O-N 2.76Å; E1002-L1004 PolarHBondContact O-N 3.44Å; E1002-N1005 PolarHBondContact O-N 2.74Å; E1002-I1006 VanDerWaalsContact O-CG1 3.26Å; E1002-I1006 WeakPolarHBondContact O-CG1 3.34Å; E1002-I1006 PolarHBondContact O-N 3.41Å
1003	L	52.3	Low	50.9	Low	102 Å²	102	85.3 Å²	85.3	53%	0.534	43%	0.43	S	S	.	.	H	α-helix	trans	-58.2	-43.7	173.3	-71.6	171.2	0	0	0	112.3	I999 I1006 Q1007	I999-L1003 HydrophobicContact CG2-CD1 3.91Å; I999-L1003 HydrophobicContact CG2-CG 4.37Å; I999-L1003 WeakPolarHBondContact O-CB 3.47Å; I999-L1003 VanDerWaalsContact O-CG 3.26Å; I999-L1003 WeakPolarHBondContact O-CG 3.47Å; I999-L1003 PolarHBondContact O-N 3.14Å; L1003-I1006 PolarHBondContact O-N 3.15Å; L1003-Q1007 WeakPolarHBondContact O-CB 3.33Å; L1003-Q1007 PolarHBondContact O-N 3.44Å
1004	L	52.2	Low	49.8	Very low	70 Å²	70	88.1 Å²	88.1	37%	0.366	45%	0.445	S	S	.	.	H	α-helix	trans	-67.7	-35.9	177.2	-176.1	62.9	0	0	0	112.6	S1000 N1001 E1002 I1008	S1000-L1004 VanDerWaalsContact O-CB 3.25Å; S1000-L1004 WeakPolarHBondContact O-CB 3.35Å; S1000-L1004 PolarHBondContact O-N 2.84Å; N1001-L1004 PolarHBondContact O-N 2.9Å; E1002-L1004 PolarHBondContact O-N 3.44Å; L1004-I1008 HydrophobicContact CD1-CD1 4.13Å; L1004-I1008 HydrophobicContact CD1-CG1 4.38Å; L1004-I1008 HydrophobicContact CG-CD1 3.96Å; L1004-I1008 WeakPolarHBondContact O-CB 3.15Å; L1004-I1008 WeakPolarHBondContact O-CD1 3.42Å; L1004-I1008 VanDerWaalsContact O-CG1 3.23Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.21Å; L1004-I1008 PolarHBondContact O-N 3.43Å
1005	N	46.1	Very low	48.9	Very low	83 Å²	83	88.8 Å²	88.8	44%	0.444	46%	0.458	S	S	.	.	H	α-helix	trans	-66.7	-38.3	172.6	-81.4	-87.8	0	0	0	110.9	N1001 E1002 Y1009	N1001-N1005 WeakPolarHBondContact O-CB 3.41Å; N1001-N1005 PolarHBondContact O-N 2.9Å; N1001-N1005 PolarHBondContact O-ND2 3.25Å; E1002-N1005 PolarHBondContact O-N 2.74Å; N1005-Y1009 WeakPolarHBondContact O-CB 3.47Å; N1005-Y1009 PolarHBondContact O-N 3.25Å
1006	I	51.8	Low	47.6	Very low	92 Å²	92	92.1 Å²	92.1	47%	0.472	48%	0.476	S	S	.	.	H	α-helix	trans	-65	-46.9	174.6	-68.7	162.2	0	0	0	110.4	E1002 L1003 I1008 Y1009 Q1010	E1002-I1006 VanDerWaalsContact O-CG1 3.26Å; E1002-I1006 WeakPolarHBondContact O-CG1 3.34Å; E1002-I1006 PolarHBondContact O-N 3.41Å; L1003-I1006 PolarHBondContact O-N 3.15Å; I1006-I1008 PolarHBondContact O-N 2.9Å; I1006-Y1009 WeakPolarHBondContact O-CA 3.32Å; I1006-Y1009 WeakPolarHBondContact O-CB 3.32Å; I1006-Y1009 PolarHBondContact O-N 3.38Å; I1006-Q1010 WeakPolarHBondContact O-CG 3.5Å; I1006-Q1010 PolarHBondContact O-N 3.01Å
1007	Q	45.8	Very low	46.3	Very low	105 Å²	105	93.4 Å²	93.4	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-58.2	-46.2	177.2	-162.9	88.6	55.6	0	0	111.4	L1003 Y1009 Q1010 D1011	L1003-Q1007 WeakPolarHBondContact O-CB 3.33Å; L1003-Q1007 PolarHBondContact O-N 3.44Å; Q1007-Y1009 VanDerWaalsContact C-N 3.3Å; Q1007-Y1009 PolarHBondContact O-N 3Å; Q1007-Q1010 PolarHBondContact O-N 3.4Å; Q1007-D1011 WeakPolarHBondContact O-CB 3.38Å; Q1007-D1011 PolarHBondContact O-N 3.37Å
1008	I	43	Very low	45	Very low	92 Å²	92	95.9 Å²	95.9	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-31.6	176	-68.9	167.1	0	0	0	111.6	L1004 I1006 T1012	L1004-I1008 HydrophobicContact CD1-CD1 4.13Å; L1004-I1008 HydrophobicContact CD1-CG1 4.38Å; L1004-I1008 HydrophobicContact CG-CD1 3.96Å; L1004-I1008 WeakPolarHBondContact O-CB 3.15Å; L1004-I1008 WeakPolarHBondContact O-CD1 3.42Å; L1004-I1008 VanDerWaalsContact O-CG1 3.23Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.21Å; L1004-I1008 PolarHBondContact O-N 3.43Å; I1006-I1008 PolarHBondContact O-N 2.9Å; I1008-T1012 WeakPolarHBondContact O-CB 3.34Å; I1008-T1012 WeakPolarHBondContact O-CG2 3.49Å; I1008-T1012 PolarHBondContact O-N 3.3Å; I1008-T1012 VanDerWaalsContact O-N 3.14Å; I1008-T1012 PolarHBondContact O-OG1 2.98Å
1009	Y	36.9	Very low	43.3	Very low	123 Å²	123	97.1 Å²	97.1	48%	0.482	52%	0.522	S	S	.	.	H	α-helix	trans	-66.9	-47	174	-150.7	-90.6	0	0	0	110.7	Y77 N1005 I1006 Q1007 T1012 T1013	Y77-Y1009 PolarHBondContact OH-OH 2.95Å; N1005-Y1009 WeakPolarHBondContact O-CB 3.47Å; N1005-Y1009 PolarHBondContact O-N 3.25Å; I1006-Y1009 WeakPolarHBondContact O-CA 3.32Å; I1006-Y1009 WeakPolarHBondContact O-CB 3.32Å; I1006-Y1009 PolarHBondContact O-N 3.38Å; Q1007-Y1009 VanDerWaalsContact C-N 3.3Å; Q1007-Y1009 PolarHBondContact O-N 3Å; Y1009-T1012 CarbonylContact O-C 3.58Å; Y1009-T1012 PolarHBondContact O-N 3.43Å; Y1009-T1012 VanDerWaalsContact O-N 3.16Å; Y1009-T1012 PolarHBondContact O-OG1 3.32Å; Y1009-T1012 VanDerWaalsContact O-OG1 3.05Å; Y1009-T1013 HydrophobicContact CD1-CG2 4.07Å; Y1009-T1013 HydrophobicContact CE1-CG2 3.95Å; Y1009-T1013 PolarHBondContact O-N 3.27Å; Y1009-T1013 PolarHBondContact O-OG1 2.62Å; Y1009-T1013 VanDerWaalsContact O-OG1 3.13Å
1010	Q	43	Very low	41.6	Very low	70 Å²	70	100.5 Å²	100.5	33%	0.327	54%	0.542	S	S	.	.	H	α-helix	trans	-59.9	-50.6	173.9	-70	172.1	-59.4	0	0	111.3	I1006 Q1007 T1012 T1013 D1014	I1006-Q1010 WeakPolarHBondContact O-CG 3.5Å; I1006-Q1010 PolarHBondContact O-N 3.01Å; Q1007-Q1010 PolarHBondContact O-N 3.4Å; Q1010-T1012 PolarHBondContact O-N 3.21Å; Q1010-T1013 PolarHBondContact O-N 3.39Å; Q1010-T1013 VanDerWaalsContact O-N 3.08Å; Q1010-T1013 PolarHBondContact O-OG1 3.19Å; Q1010-D1014 WeakPolarHBondContact O-CB 3.5Å; Q1010-D1014 PolarHBondContact O-N 2.68Å
1011	D	40.1	Very low	40.6	Very low	116 Å²	116	110.9 Å²	110.9	62%	0.62	59%	0.585	S	S	*	*	H	α-helix	trans	-60.2	-18	177	-73.5	-27.3	0	0	0	113.5	Q1007	Q1007-D1011 WeakPolarHBondContact O-CB 3.38Å; Q1007-D1011 PolarHBondContact O-N 3.37Å
1012	T	41.6	Very low	40.1	Very low	103 Å²	103	114.3 Å²	114.3	63%	0.632	60%	0.603	S	S	*	*	H	α-helix	trans	-101.1	-18.5	175.1	51.6	0	0	0	0	114.7	I1008 Y1009 Q1010	I1008-T1012 WeakPolarHBondContact O-CB 3.34Å; I1008-T1012 WeakPolarHBondContact O-CG2 3.49Å; I1008-T1012 PolarHBondContact O-N 3.3Å; I1008-T1012 VanDerWaalsContact O-N 3.14Å; I1008-T1012 PolarHBondContact O-OG1 2.98Å; Y1009-T1012 CarbonylContact O-C 3.58Å; Y1009-T1012 PolarHBondContact O-N 3.43Å; Y1009-T1012 VanDerWaalsContact O-N 3.16Å; Y1009-T1012 PolarHBondContact O-OG1 3.32Å; Y1009-T1012 VanDerWaalsContact O-OG1 3.05Å; Q1010-T1012 PolarHBondContact O-N 3.21Å
1013	T	44.1	Very low	39.2	Very low	70 Å²	70	113.9 Å²	113.9	43%	0.429	61%	0.605	S	S	.	*	H	α-helix	trans	-92.7	-31.8	170.8	52.9	0	0	0	0	113.5	Y1009 Q1010 N1015	Y1009-T1013 HydrophobicContact CD1-CG2 4.07Å; Y1009-T1013 HydrophobicContact CE1-CG2 3.95Å; Y1009-T1013 PolarHBondContact O-N 3.27Å; Y1009-T1013 PolarHBondContact O-OG1 2.62Å; Y1009-T1013 VanDerWaalsContact O-OG1 3.13Å; Q1010-T1013 PolarHBondContact O-N 3.39Å; Q1010-T1013 VanDerWaalsContact O-N 3.08Å; Q1010-T1013 PolarHBondContact O-OG1 3.19Å; T1013-N1015 VanDerWaalsContact C-N 3.28Å; T1013-N1015 PolarHBondContact O-N 3.48Å; T1013-N1015 VanDerWaalsContact O-N 3.13Å
1014	D	35	Very low	38.5	Very low	76 Å²	76	114.6 Å²	114.6	41%	0.406	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-92.1	22.1	-157.5	-60.9	-3.7	0	0	0	114.1	Q1010 N1016	Q1010-D1014 WeakPolarHBondContact O-CB 3.5Å; Q1010-D1014 PolarHBondContact O-N 2.68Å; D1014-N1016 PolarHBondContact O-N 3.43Å
1015	N	37.8	Very low	37.7	Very low	146 Å²	146	117.2 Å²	117.2	78%	0.781	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-62.6	-11	155.7	-88.1	-64.2	0	0	0	112.3	T1013	T1013-N1015 VanDerWaalsContact C-N 3.28Å; T1013-N1015 PolarHBondContact O-N 3.48Å; T1013-N1015 VanDerWaalsContact O-N 3.13Å
1016	N	33.7	Very low	37.2	Very low	150 Å²	150	119.3 Å²	119.3	80%	0.802	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-140.5	37.2	177.2	-85.2	-57.1	0	0	0	114.9	D1014	D1014-N1016 PolarHBondContact O-N 3.43Å
1017	L	32.2	Very low	36.2	Very low	142 Å²	142	121.1 Å²	121.1	74%	0.743	65%	0.645	S	S	*	*			trans	-153.8	145.9	152.2	-138.1	70	0	0	0	113.1
1018	S	28.3	Very low	35.5	Very low	101 Å²	101	122.3 Å²	122.3	71%	0.706	66%	0.656	S	S	*	*			trans	-92.6	123.9	-175.8	58.9	0	0	0	0	112.7
1019	S	26.1	Very low	35	Very low	99 Å²	99	124.6 Å²	124.6	69%	0.692	67%	0.67	S	S	*	*			trans	37.2	98.3	143.5	62.4	0	0	0	0	117.8
1020	N	26.4	Very low	34.8	Very low	163 Å²	163	124.8 Å²	124.8	87%	0.872	69%	0.686	S	S	*	*			trans	173.1	95.3	136.2	-88.9	-35.9	0	0	0	112.2
1021	Q	29.5	Very low	34.1	Very low	261 Å²	261	129.7 Å²	129.7	100%	1.22	72%	0.719	S	S	*	*			trans	-162	0	136.4	-113.8	174.6	9.2	0	0	110.8

Retrieved 1,021 of 1,021 residues in 946.2 ms (Link to these results)

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