A0A3Q0KQQ2_SCHMA Loading...

Protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KQQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,076 aa.

						>A0A3Q0KQQ2_SCHMA|A0A3Q0KQQ2
MNASHVNNTTTNNNNHITNTNYTTNHNNNISNIKNNKNISIDFPTNPITKYFIINKQIASCGPELIWKVYDAVRRQDQLPCSVFLFDKSIADKLHKPRRRDIVTSVLKRDVRLLTQLHHPNMLHILHPIEETSETLSFASERIFSSLANILGNHTRLQQFIIENLKTFRFTDMDRKLGIYQLTELLRFLHTGQSLFHNNVSPSSILITHQNQWRLGSAAFIESTCLEKHDISQYELGPSPWTRKWPKMAQPDCHYSAPECLNLINNNNNNISNHFTSYRNKPTTDLYHSTNKNDPDHTIDPITSTMKSNDKPGPWSDMFSLGLIICALYTNNSPAEGSIQWLQNIKKRDYDNDTYSNTDVLYVNCKENIIQETNNNVQYNIHSIYVHIILGDFIFEYRLIMRIYNVVIRFTVQRLNKWEFAHFLFMFKIPEAFRLSVCRMPLELVEPVEKLLSRNPQKRPSSQLFALLKFFNDPTMLLLDGIINFQVKSDEDRTRALQILQNNAENLSKPILYGRIMPTLIQLHRELETRQFNKQINDYNTTMLTSHFNISQLSNEEICINLDSLLISGLAHLIEVCSSIDYTDYIEKDLINIFEKSSNLKTKICLVRHTRSFLRQVPDNVIDQYILPLMKQCLVSNNITAQIVALNNLELLVGYISVTDLEIIVLQKIKQAFQYNNQQLQLASLHCLVTILTRLSDATIVNDVIPFLLNVSNELKLNINNNKPTDKYVQDFNIDTVDDKAYDEHDQTQSNRVEQPISELCNAWKQLLYTKSYLLEPQLIVTEIFPGLLPHVVDKKVSITEFRILMSTLYALLDQLDIPNAENDDLNDSKTQYRTVPALTVNPPSVGSGQISKRSSNCENLEDTRMAKKSITRTTASFVPMLHPNQIKELENSPNITRRASAHVICPLPPQNSDLRFDKPTSDINLSDKKNYTSFLGLQLPSVSKLRRHSCDAQRQEKNTSSHMQVDKMNDNLSRRSSDQSLQDNDRTNWYTIPKSRGLLNSEEKNLLTAQVCEGPFIRTSNIQTKLNWNSSQVNEPVKQITSNNKLGNELSVGPRTSRRSSLIAIGDSVINLLTK
					

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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	33.3	Very low	30.1	Very low	240 Å²	240	140.9 Å²	140.9	100%	1.182	81%	0.806	S	S	*	*				0	100.3	0	-79.6	175.9	171.5	0	0	106.6	A3	M1-A3 PolarHBondContact O-N 3.49Å
2	N	29.4	Very low	29.9	Very low	170 Å²	170	140.3 Å²	140.3	91%	0.909	80%	0.799	S	S	*	*			trans	-83.6	108.7	-165.9	-70.5	-6.8	0	0	0	110.7
3	A	30.6	Very low	29.6	Very low	89 Å²	89	140.2 Å²	140.2	74%	0.736	79%	0.794	S	S	*	*			trans	-143.3	66.4	161.5	0	0	0	0	0	108	M1 H5	M1-A3 PolarHBondContact O-N 3.49Å; A3-H5 PolarHBondContact O-N 3.13Å
4	S	32.5	Very low	29.4	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	78%	0.784	S	S	*	*			trans	-77.3	105.4	169	50.8	0	0	0	0	108.3	V6	S4-V6 PolarHBondContact O-N 3.17Å
5	H	32.3	Very low	29.2	Very low	180 Å²	180	139.1 Å²	139.1	83%	0.833	78%	0.783	S	S	*	*			trans	-49.5	107.2	170.7	-82	-71.6	0	0	0	111.1	A3 N7	A3-H5 PolarHBondContact O-N 3.13Å; H5-N7 PolarHBondContact O-N 3.34Å
6	V	31	Very low	29	Very low	119 Å²	119	140.7 Å²	140.7	72%	0.721	78%	0.781	S	S	*	*			trans	-75.7	104	165.6	176.8	0	0	0	0	106.8	S4 N8	S4-V6 PolarHBondContact O-N 3.17Å; V6-N8 PolarHBondContact O-N 3.42Å
7	N	29	Very low	28.8	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	78%	0.78	S	S	*	*			trans	-64.7	98.4	170	-81.3	-24.2	0	0	0	109	H5 T9	H5-N7 PolarHBondContact O-N 3.34Å; N7-T9 VanDerWaalsContact C-N 3.3Å; N7-T9 PolarHBondContact O-N 3.05Å
8	N	28	Very low	28.5	Very low	140 Å²	140	138 Å²	138	75%	0.749	77%	0.765	S	S	*	*			trans	-69.9	89.6	164.7	-78.9	-16.8	0	0	0	108.6	V6 T10	V6-N8 PolarHBondContact O-N 3.42Å; N8-T10 VanDerWaalsContact C-N 3.25Å; N8-T10 PolarHBondContact O-N 2.88Å
9	T	27.9	Very low	28.3	Very low	125 Å²	125	137.5 Å²	137.5	77%	0.767	76%	0.761	S	S	*	*			trans	-72.5	85	161.6	45.4	0	0	0	0	108.3	N7 T11	N7-T9 VanDerWaalsContact C-N 3.3Å; N7-T9 PolarHBondContact O-N 3.05Å; T9-T11 PolarHBondContact O-N 2.96Å; T9-T11 VanDerWaalsContact O-N 3.11Å
10	T	29.5	Very low	28.1	Very low	122 Å²	122	136.2 Å²	136.2	75%	0.748	76%	0.757	S	S	*	*			trans	-66.5	102.6	164.4	0.6	0	0	0	0	107.7	N8 N12	N8-T10 VanDerWaalsContact C-N 3.25Å; N8-T10 PolarHBondContact O-N 2.88Å; T10-N12 PolarHBondContact O-N 2.76Å
11	T	27.8	Very low	28.1	Very low	119 Å²	119	136 Å²	136	73%	0.73	76%	0.755	S	S	*	*			trans	-61.4	100.7	168.2	42.6	0	0	0	0	108.9	T9 N13	T9-T11 PolarHBondContact O-N 2.96Å; T9-T11 VanDerWaalsContact O-N 3.11Å; T11-N13 VanDerWaalsContact C-N 3.29Å; T11-N13 PolarHBondContact O-N 3.02Å
12	N	27.4	Very low	27.7	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	72%	0.718	S	S	*	*			trans	-63.1	88	167.7	-87.8	-20.6	0	0	0	109.4	T10 N14	T10-N12 PolarHBondContact O-N 2.76Å; N12-N14 PolarHBondContact O-N 3Å
13	N	26	Very low	27.5	Very low	138 Å²	138	126.7 Å²	126.7	74%	0.738	71%	0.707	S	S	*	*			trans	-73.9	76	161.4	-82.2	-7.9	0	0	0	108.7	T11 N15	T11-N13 VanDerWaalsContact C-N 3.29Å; T11-N13 PolarHBondContact O-N 3.02Å; N13-N15 PolarHBondContact O-N 2.95Å
14	N	27.3	Very low	27.3	Very low	123 Å²	123	128.9 Å²	128.9	66%	0.658	71%	0.711	S	S	*	*			trans	-70.8	80.7	163.7	-79.6	-19.2	0	0	0	108.3	N12 H16	N12-N14 PolarHBondContact O-N 3Å; N14-H16 VanDerWaalsContact C-N 3.28Å; N14-H16 PolarHBondContact O-N 3.38Å
15	N	25.6	Very low	26.9	Very low	142 Å²	142	131.1 Å²	131.1	76%	0.759	72%	0.715	S	S	*	*			trans	-66.7	95.2	162.5	-80.3	-15.6	0	0	0	107.5	N13 I17	N13-N15 PolarHBondContact O-N 2.95Å; N15-I17 PolarHBondContact O-N 3.34Å
16	H	26.4	Very low	26.7	Very low	164 Å²	164	130.3 Å²	130.3	76%	0.759	71%	0.711	S	S	*	*			trans	-55.4	99.9	169.4	-88.6	-68.9	0	0	0	109.2	N14 T18	N14-H16 VanDerWaalsContact C-N 3.28Å; N14-H16 PolarHBondContact O-N 3.38Å; H16-T18 VanDerWaalsContact C-N 3.32Å; H16-T18 PolarHBondContact O-N 3.27Å
17	I	24.7	Very low	26.4	Very low	148 Å²	148	131.3 Å²	131.3	76%	0.759	71%	0.712	S	S	*	*			trans	-65	97.6	163.9	-61.6	171.3	0	0	0	106.1	N15 N19	N15-I17 PolarHBondContact O-N 3.34Å; I17-N19 PolarHBondContact O-N 2.95Å
18	T	24.5	Very low	26.3	Very low	85 Å²	85	131.5 Å²	131.5	52%	0.521	71%	0.714	S	S	.	*			trans	-70.4	95.2	170.3	48.7	0	0	0	0	108	H16 T20 K588	H16-T18 VanDerWaalsContact C-N 3.32Å; H16-T18 PolarHBondContact O-N 3.27Å; T18-T20 PolarHBondContact O-N 3.37Å; T18-K588 PolarHBondContact OG1-NZ 2.91Å; T18-K588 VanDerWaalsContact OG1-NZ 3.08Å
19	N	24.5	Very low	26.2	Very low	129 Å²	129	131.4 Å²	131.4	69%	0.69	71%	0.713	S	S	*	*			trans	-63.2	95.6	166.8	-80.6	-20.2	0	0	0	109.3	I17 N21	I17-N19 PolarHBondContact O-N 2.95Å; N19-N21 VanDerWaalsContact C-N 3.33Å; N19-N21 PolarHBondContact O-N 3.45Å; N19-N21 VanDerWaalsContact O-N 3.09Å
20	T	24.5	Very low	26.3	Very low	110 Å²	110	132.2 Å²	132.2	68%	0.675	71%	0.711	S	S	*	*			trans	-77.2	86.5	167	44.8	0	0	0	0	108.7	T18 Y22	T18-T20 PolarHBondContact O-N 3.37Å; T20-Y22 PolarHBondContact O-N 3.49Å
21	N	26.9	Very low	26.3	Very low	132 Å²	132	131.6 Å²	131.6	71%	0.706	71%	0.712	S	S	*	*			trans	-73.5	110.8	168.7	-71.8	-33.4	0	0	0	109	N19 T23	N19-N21 VanDerWaalsContact C-N 3.33Å; N19-N21 PolarHBondContact O-N 3.45Å; N19-N21 VanDerWaalsContact O-N 3.09Å; N21-T23 PolarHBondContact O-N 3.35Å
22	Y	25.6	Very low	26.3	Very low	106 Å²	106	132.8 Å²	132.8	42%	0.416	71%	0.714	S	S	.	*			trans	-74	83.3	161.6	-67.4	-87	0	0	0	109.6	T20 Y513 Y585	T20-Y22 PolarHBondContact O-N 3.49Å; Y22-Y513 WeakPolarHBondContact CE2-O 3.43Å; Y22-Y513 WeakPolarHBondContact OH-CB 3.47Å; Y22-Y585 AromaticContact CE1-CE1 3.68Å; Y22-Y585 HydrophobicContact CE1-CE1 3.68Å; Y22-Y585 AromaticContact CE1-CZ 3.92Å; Y22-Y585 AromaticContact CZ-CD1 3.89Å; Y22-Y585 AromaticContact CZ-CE1 3.5Å; Y22-Y585 VanDerWaalsContact CZ-CE1 3.5Å; Y22-Y585 WeakPolarHBondContact OH-CD1 3.31Å; Y22-Y585 WeakPolarHBondContact OH-CE1 3.24Å
23	T	26	Very low	26.5	Very low	109 Å²	109	132.9 Å²	132.9	67%	0.669	71%	0.713	S	S	*	*			trans	-85.7	117.4	147.9	44.2	0	0	0	0	107	N21 N25	N21-T23 PolarHBondContact O-N 3.35Å; T23-N25 PolarHBondContact O-N 2.84Å; T23-N25 VanDerWaalsContact O-N 3.07Å
24	T	25.9	Very low	26.8	Very low	135 Å²	135	136 Å²	136	83%	0.828	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-31.1	112.3	167	42.2	0	0	0	0	111.6	H26	T24-H26 PolarHBondContact O-N 3.03Å
25	N	23.9	Very low	26.8	Very low	155 Å²	155	137.2 Å²	137.2	83%	0.829	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	16.1	74.7	167.4	-79.4	-10.3	0	0	0	116.2	T23	T23-N25 PolarHBondContact O-N 2.84Å; T23-N25 VanDerWaalsContact O-N 3.07Å
26	H	27.3	Very low	27	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.755	73%	0.728	S	S	*	*			trans	-127	51.1	157.8	-91.8	-0.4	0	0	0	110	T24 N28	T24-H26 PolarHBondContact O-N 3.03Å; H26-N28 VanDerWaalsContact C-N 3.3Å; H26-N28 PolarHBondContact O-N 3.31Å; H26-N28 VanDerWaalsContact O-N 3.15Å
27	N	25.2	Very low	27.2	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	73%	0.731	S	S	*	*			trans	-79.9	83.7	161.5	-82.8	-10.4	0	0	0	108.5
28	N	26.4	Very low	27.6	Very low	144 Å²	144	139.6 Å²	139.6	77%	0.77	74%	0.737	S	S	*	*	S	Bend	trans	-164.6	123.4	149.2	-86.5	-27.9	0	0	0	106.9	H26	H26-N28 VanDerWaalsContact C-N 3.3Å; H26-N28 PolarHBondContact O-N 3.31Å; H26-N28 VanDerWaalsContact O-N 3.15Å
29	N	27.9	Very low	28.3	Very low	138 Å²	138	142.5 Å²	142.5	74%	0.738	75%	0.748	S	S	*	*			trans	104.3	26.5	172.9	-52.7	-22.9	0	0	0	119.7	S31	N29-S31 VanDerWaalsContact C-N 3.29Å; N29-S31 PolarHBondContact O-N 2.97Å
30	I	29.1	Very low	29.2	Very low	141 Å²	141	141.7 Å²	141.7	72%	0.723	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-78.3	-4.8	171.2	-64.7	177.9	0	0	0	113.6	N32	I30-N32 PolarHBondContact O-N 3.25Å
31	S	29.7	Very low	30.9	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-81.7	-3.9	178.6	51.7	0	0	0	0	116.1	N29	N29-S31 VanDerWaalsContact C-N 3.29Å; N29-S31 PolarHBondContact O-N 2.97Å
32	N	28.6	Very low	33	Very low	143 Å²	143	141 Å²	141	77%	0.765	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-110.8	9.5	-177.2	-84.9	-8.9	0	0	0	116.6	I30	I30-N32 PolarHBondContact O-N 3.25Å
33	I	30.8	Very low	35.6	Very low	136 Å²	136	137.4 Å²	137.4	70%	0.697	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	53.6	179.4	-45.5	174.7	0	0	0	111.9
34	K	31.3	Very low	38.4	Very low	204 Å²	204	134.1 Å²	134.1	89%	0.887	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-0.6	161.8	-84.7	-171.5	176.7	-179.9	0	114.8
35	N	28.5	Very low	41.1	Very low	148 Å²	148	133.8 Å²	133.8	79%	0.791	71%	0.709	S	S	*	*			trans	-123.3	21.7	-174.8	-76.2	-7.1	0	0	0	116.4	K37	N35-K37 PolarHBondContact O-N 3.08Å
36	N	30.4	Very low	44.2	Very low	148 Å²	148	126.6 Å²	126.6	79%	0.791	67%	0.671	S	S	*	*			trans	-92.1	99.6	169.9	-87.1	-7.7	0	0	0	111.2
37	K	30.7	Very low	47.2	Very low	191 Å²	191	120.7 Å²	120.7	83%	0.83	65%	0.647	S	S	*	*			trans	-40.4	136.7	170.8	-64.4	171.4	178.2	175.2	0	111.7	N35 I39	N35-K37 PolarHBondContact O-N 3.08Å; K37-I39 PolarHBondContact O-N 3.25Å
38	N	31.4	Very low	50.5	Low	166 Å²	166	114.1 Å²	114.1	89%	0.888	61%	0.611	S	S	*	*			trans	-35.5	97.1	172.4	-61.2	-23.2	0	0	0	112	S40	N38-S40 PolarHBondContact O-N 3.5Å
39	I	40.1	Very low	53.5	Low	145 Å²	145	109.8 Å²	109.8	74%	0.744	59%	0.59	S	S	*	*			trans	-67	103.3	165.4	-61	170	0	0	0	104.4	K37 I41	K37-I39 PolarHBondContact O-N 3.25Å; I39-I41 PolarHBondContact O-N 2.78Å
40	S	44	Very low	56.6	Low	112 Å²	112	110.5 Å²	110.5	78%	0.783	59%	0.587	S	S	*	*			trans	-60.7	107.7	171.8	60.3	0	0	0	0	107.3	N38 D42	N38-S40 PolarHBondContact O-N 3.5Å; S40-D42 PolarHBondContact O-N 3.49Å
41	I	60.3	Low	59.6	Low	72 Å²	72	109 Å²	109	37%	0.369	57%	0.573	S	S	.	*			trans	-70.5	116.7	176.3	-65.9	140.4	0	0	0	107	I39 F43 N55 Y70	I39-I41 PolarHBondContact O-N 2.78Å; I41-F43 VanDerWaalsContact C-N 3.25Å; I41-F43 HydrophobicContact CG2-CB 4.38Å; I41-F43 PolarHBondContact O-N 3.46Å; I41-N55 WeakPolarHBondContact CD1-O 3.25Å; I41-Y70 HydrophobicContact CG2-CE1 4.41Å
42	D	69.1	Low	62.7	Low	156 Å²	156	104 Å²	104	83%	0.834	54%	0.537	S	S	*	.			trans	-75.9	80.3	175.1	-164.8	19.1	0	0	0	109.1	S40	S40-D42 PolarHBondContact O-N 3.49Å
43	F	81.8	Confident	65.8	Low	30 Å²	30	100.2 Å²	100.2	13%	0.132	52%	0.516	C	S	.	.			trans	-96	125.7	173.1	-169.2	-88.7	0	0	0	108.7	I41 N46 I48 T49 I54 Y70 V83 L85	I41-F43 VanDerWaalsContact C-N 3.25Å; I41-F43 HydrophobicContact CG2-CB 4.38Å; I41-F43 PolarHBondContact O-N 3.46Å; F43-N46 HydrophobicContact CE1-CB 4.21Å; F43-I48 HydrophobicContact CE1-CG2 4.18Å; F43-I48 HydrophobicContact CZ-CG2 4.27Å; F43-T49 HydrophobicContact CD1-CG2 3.74Å; F43-T49 HydrophobicContact CE1-CG2 3.85Å; F43-I54 HydrophobicContact CD1-CD1 3.58Å; F43-I54 HydrophobicContact CD2-CB 4.47Å; F43-I54 HydrophobicContact CD2-CD1 3.82Å; F43-I54 HydrophobicContact CD2-CG2 3.71Å; F43-I54 HydrophobicContact CE1-CD1 3.31Å; F43-I54 HydrophobicContact CE2-CD1 3.55Å; F43-I54 HydrophobicContact CE2-CG2 3.99Å; F43-I54 HydrophobicContact CG-CD1 3.83Å; F43-I54 HydrophobicContact CG-CG2 4.28Å; F43-I54 HydrophobicContact CZ-CD1 3.3Å; F43-Y70 HydrophobicContact CD2-CD1 4.28Å; F43-Y70 HydrophobicContact CD2-CD2 4.37Å; F43-Y70 HydrophobicContact CD2-CE1 4.16Å; F43-Y70 HydrophobicContact CD2-CE2 4.26Å; F43-Y70 HydrophobicContact CD2-CG 4.4Å; F43-Y70 HydrophobicContact CE2-CD2 4.01Å; F43-Y70 HydrophobicContact CE2-CE2 4.08Å; F43-Y70 HydrophobicContact CE2-CG 4.32Å; F43-V83 HydrophobicContact CE2-CG1 4.47Å; F43-V83 HydrophobicContact CZ-CG1 4.23Å; F43-L85 HydrophobicContact CD2-CD2 4.09Å; F43-L85 HydrophobicContact CE2-CB 3.99Å; F43-L85 HydrophobicContact CE2-CD1 4.37Å; F43-L85 HydrophobicContact CE2-CD2 3.66Å; F43-L85 HydrophobicContact CE2-CG 4.21Å; F43-L85 HydrophobicContact CZ-CB 4.2Å; F43-L85 HydrophobicContact CZ-CD1 3.94Å; F43-L85 HydrophobicContact CZ-CD2 4.06Å; F43-L85 HydrophobicContact CZ-CG 4.28Å
44	P	83.5	Confident	68.8	Low	41 Å²	41	94.9 Å²	94.9	27%	0.266	49%	0.489	S	S	.	.			trans	-63.3	152.1	-177	27.3	-35.1	0	0	0	111.5	N46 L85 T135	P44-N46 PolarHBondContact O-N 3.43Å; P44-L85 HydrophobicContact CG-CD1 3.88Å; P44-L85 HydrophobicContact CG-CD2 3.54Å; P44-L85 HydrophobicContact CG-CG 4.32Å; P44-T135 HydrophobicContact CB-CG2 3.95Å; P44-T135 HydrophobicContact CG-CG2 3.79Å
45	T	82.6	Confident	71.7	Confident	127 Å²	127	87.7 Å²	87.7	78%	0.779	46%	0.46	S	S	*	.			trans	-62.9	104.1	179.8	46.5	0	0	0	0	111
46	N	89.5	Confident	74.6	Confident	5 Å²	5	85.8 Å²	85.8	3%	0.027	45%	0.445	C	S	.	.			trans	-131.9	141.5	174.7	-175.8	-68.2	0	0	0	109.7	F43 P44 I48 T49 E130 T135 S137	F43-N46 HydrophobicContact CE1-CB 4.21Å; P44-N46 PolarHBondContact O-N 3.43Å; N46-I48 HydrophobicContact CB-CG2 4.09Å; N46-I48 PolarHBondContact O-N 3.33Å; N46-I48 VanDerWaalsContact OD1-CB 3.32Å; N46-I48 WeakPolarHBondContact OD1-CB 3.32Å; N46-I48 VanDerWaalsContact OD1-CG2 3.25Å; N46-I48 WeakPolarHBondContact OD1-CG2 3.37Å; N46-I48 PolarHBondContact OD1-N 3.26Å; N46-T49 PolarHBondContact O-N 2.7Å; N46-T49 VanDerWaalsContact O-N 3.14Å; N46-T49 PolarHBondContact O-OG1 2.75Å; N46-E130 PolarHBondContact ND2-O 3.36Å; N46-E130 WeakPolarHBondContact OD1-CB 3.45Å; N46-T135 PolarHBondContact ND2-OG1 2.95Å; N46-S137 PolarHBondContact ND2-OG 2.92Å
47	P	91.6	Very high	77.7	Confident	39 Å²	39	79.1 Å²	79.1	25%	0.253	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-50.8	-27.8	177.7	-28.7	34.5	0	0	0	115.1	T49 K50 E130 T132	P47-T49 PolarHBondContact O-N 3Å; P47-T49 VanDerWaalsContact O-N 3.08Å; P47-K50 VanDerWaalsContact O-CB 3.24Å; P47-K50 WeakPolarHBondContact O-CB 3.39Å; P47-K50 VanDerWaalsContact O-CG 3.31Å; P47-K50 WeakPolarHBondContact O-CG 3.36Å; P47-K50 PolarHBondContact O-N 3.43Å; P47-E130 HydrophobicContact CB-CB 4.42Å; P47-E130 HydrophobicContact CB-CG 4.39Å; P47-T132 VanDerWaalsContact CD-CG2 3.41Å; P47-T132 HydrophobicContact CG-CG2 4.23Å
48	I	93.1	Very high	80.6	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-56.5	-27.2	179.7	-159	159.9	0	0	0	113.5	F43 N46 K50 Y51 F52 I54 V83 E130 A139	F43-I48 HydrophobicContact CE1-CG2 4.18Å; F43-I48 HydrophobicContact CZ-CG2 4.27Å; N46-I48 HydrophobicContact CB-CG2 4.09Å; N46-I48 PolarHBondContact O-N 3.33Å; N46-I48 VanDerWaalsContact OD1-CB 3.32Å; N46-I48 WeakPolarHBondContact OD1-CB 3.32Å; N46-I48 VanDerWaalsContact OD1-CG2 3.25Å; N46-I48 WeakPolarHBondContact OD1-CG2 3.37Å; N46-I48 PolarHBondContact OD1-N 3.26Å; I48-K50 PolarHBondContact O-N 2.72Å; I48-K50 VanDerWaalsContact O-N 3.17Å; I48-Y51 PolarHBondContact O-N 2.99Å; I48-F52 HydrophobicContact CD1-CD2 4.4Å; I48-F52 HydrophobicContact CG1-CD2 3.61Å; I48-F52 HydrophobicContact CG1-CE2 4.05Å; I48-F52 PolarHBondContact O-N 2.96Å; I48-F52 VanDerWaalsContact O-N 3.1Å; I48-I54 HydrophobicContact CG2-CD1 4.27Å; I48-V83 HydrophobicContact CD1-CG1 3.94Å; I48-V83 HydrophobicContact CD1-CG2 4.38Å; I48-V83 HydrophobicContact CG2-CG1 4.34Å; I48-E130 HydrophobicContact CB-CB 4.32Å; I48-E130 HydrophobicContact CB-CG 4.3Å; I48-A139 HydrophobicContact CD1-CB 4.49Å
49	T	90.5	Very high	83.6	Confident	54 Å²	54	63.1 Å²	63.1	33%	0.331	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-63.1	-18.6	176.5	57.4	0	0	0	0	113.7	F43 N46 P47 Y51 F52 I54 R75	F43-T49 HydrophobicContact CD1-CG2 3.74Å; F43-T49 HydrophobicContact CE1-CG2 3.85Å; N46-T49 PolarHBondContact O-N 2.7Å; N46-T49 VanDerWaalsContact O-N 3.14Å; N46-T49 PolarHBondContact O-OG1 2.75Å; P47-T49 PolarHBondContact O-N 3Å; P47-T49 VanDerWaalsContact O-N 3.08Å; T49-Y51 VanDerWaalsContact C-N 3.31Å; T49-F52 VanDerWaalsContact O-O 3.07Å; T49-I54 HydrophobicContact CG2-CD1 3.84Å; T49-R75 PolarHBondContact O-NE 3Å; T49-R75 PolarHBondContact O-NH2 2.89Å
50	K	91.4	Very high	86.1	Confident	153 Å²	153	56.2 Å²	56.2	67%	0.665	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-67.8	-30.9	172.1	-64.8	178.3	-179.2	179.1	0	112.3	P47 I48 R75	P47-K50 VanDerWaalsContact O-CB 3.24Å; P47-K50 WeakPolarHBondContact O-CB 3.39Å; P47-K50 VanDerWaalsContact O-CG 3.31Å; P47-K50 WeakPolarHBondContact O-CG 3.36Å; P47-K50 PolarHBondContact O-N 3.43Å; I48-K50 PolarHBondContact O-N 2.72Å; I48-K50 VanDerWaalsContact O-N 3.17Å; K50-R75 VanDerWaalsContact O-CD 3.25Å; K50-R75 WeakPolarHBondContact O-CD 3.36Å
51	Y	93.2	Very high	88.6	Confident	110 Å²	110	51.1 Å²	51.1	43%	0.431	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-25.3	-174.9	-51.2	-68.7	0	0	0	112.8	I48 T49 R75 H127	I48-Y51 PolarHBondContact O-N 2.99Å; T49-Y51 VanDerWaalsContact C-N 3.31Å; Y51-R75 WeakPolarHBondContact O-CB 3.24Å; Y51-R75 WeakPolarHBondContact O-CG 3.43Å; Y51-R75 PolarHBondContact O-N 3.18Å; Y51-H127 AromaticContact CD2-NE2 3.45Å; Y51-H127 WeakPolarHBondContact CD2-NE2 3.46Å; Y51-H127 AromaticContact CE2-NE2 3.51Å
52	F	95.1	Very high	90	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.2	-173.9	-59.9	-86.1	0	0	0	112.1	I48 T49 V73 R74 C81 V83 H127 A139	I48-F52 HydrophobicContact CD1-CD2 4.4Å; I48-F52 HydrophobicContact CG1-CD2 3.61Å; I48-F52 HydrophobicContact CG1-CE2 4.05Å; I48-F52 PolarHBondContact O-N 2.96Å; I48-F52 VanDerWaalsContact O-N 3.1Å; T49-F52 VanDerWaalsContact O-O 3.07Å; F52-V73 WeakPolarHBondContact CA-O 3.12Å; F52-R74 HydrophobicContact CD1-CB 3.87Å; F52-R74 HydrophobicContact CD1-CG 4.22Å; F52-R74 HydrophobicContact CE1-CB 3.65Å; F52-R74 HydrophobicContact CE1-CG 3.76Å; F52-R74 HydrophobicContact CZ-CG 4.32Å; F52-C81 WeakPolarHBondContact CD1-SG 3.29Å; F52-C81 VanDerWaalsContact CE1-SG 3.52Å; F52-V83 HydrophobicContact CB-CG2 4.09Å; F52-V83 HydrophobicContact CD1-CG2 4.47Å; F52-V83 HydrophobicContact CD2-CG2 4.43Å; F52-V83 HydrophobicContact CG-CG2 4.08Å; F52-H127 HydrophobicContact CE2-CB 3.78Å; F52-H127 AromaticContact CE2-CD2 3.93Å; F52-H127 AromaticContact CE2-CG 3.9Å; F52-H127 HydrophobicContact CZ-CB 3.79Å; F52-A139 HydrophobicContact CD1-CB 4.5Å; F52-A139 HydrophobicContact CD2-CB 4.39Å; F52-A139 HydrophobicContact CE1-CB 3.87Å; F52-A139 HydrophobicContact CE2-CB 3.76Å; F52-A139 HydrophobicContact CZ-CB 3.47Å; F52-A139 VanDerWaalsContact CZ-CB 3.47Å
53	I	93.4	Very high	90.9	Very high	64 Å²	64	40.6 Å²	40.6	33%	0.328	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.3	166.3	-60.4	166.8	0	0	0	106.4	A72 V73 R75	I53-A72 CarbonylContact O-C 3.11Å; I53-A72 WeakPolarHBondContact O-CA 3.44Å; I53-A72 WeakPolarHBondContact O-CB 3.49Å; I53-V73 PolarHBondContact N-O 3Å; I53-V73 PolarHBondContact O-N 3.2Å; I53-R75 HydrophobicContact CD1-CG 4.24Å; I53-R75 HydrophobicContact CG1-CG 3.83Å
54	I	93.4	Very high	91.1	Very high	24 Å²	24	43.8 Å²	43.8	12%	0.123	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.8	-173.1	-53.4	179.2	0	0	0	109.3	F43 I48 T49 Y70 V83	F43-I54 HydrophobicContact CD1-CD1 3.58Å; F43-I54 HydrophobicContact CD2-CB 4.47Å; F43-I54 HydrophobicContact CD2-CD1 3.82Å; F43-I54 HydrophobicContact CD2-CG2 3.71Å; F43-I54 HydrophobicContact CE1-CD1 3.31Å; F43-I54 HydrophobicContact CE2-CD1 3.55Å; F43-I54 HydrophobicContact CE2-CG2 3.99Å; F43-I54 HydrophobicContact CG-CD1 3.83Å; F43-I54 HydrophobicContact CG-CG2 4.28Å; F43-I54 HydrophobicContact CZ-CD1 3.3Å; I48-I54 HydrophobicContact CG2-CD1 4.27Å; T49-I54 HydrophobicContact CG2-CD1 3.84Å; I54-Y70 HydrophobicContact CG2-CD1 4Å; I54-Y70 HydrophobicContact CG2-CG 3.99Å; I54-V83 HydrophobicContact CD1-CG1 4.19Å
55	N	91.4	Very high	91.4	Very high	53 Å²	53	42 Å²	42	28%	0.283	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-145.6	178.7	-58.2	-31.6	0	0	0	109.9	I41 D71	I41-N55 WeakPolarHBondContact CD1-O 3.25Å; N55-D71 WeakPolarHBondContact CA-O 3.44Å; N55-D71 HydrophobicContact CB-CB 4.28Å; N55-D71 VanDerWaalsContact CB-O 3.3Å; N55-D71 WeakPolarHBondContact CB-O 3.18Å; N55-D71 PolarHBondContact N-O 3.05Å; N55-D71 PolarHBondContact ND2-OD2 3.06Å
56	K	91.4	Very high	91.8	Very high	109 Å²	109	36 Å²	36	47%	0.474	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	153	-178.4	63.6	-175.2	-179.4	-179.4	0	112.6	I58 Y70 D71 F160	K56-I58 HydrophobicContact CG-CG2 4.32Å; K56-Y70 WeakPolarHBondContact O-CA 3.4Å; K56-D71 PolarHBondContact O-N 3.19Å; K56-F160 HydrophobicContact CD-CE2 4.32Å
57	Q	93.7	Very high	92	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.033	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	140	164.2	-168.6	-177	-8.6	0	0	108.9	A59 V69 Y70 R156 I161	Q57-A59 PolarHBondContact NE2-O 3.05Å; Q57-A59 VanDerWaalsContact NE2-O 3.14Å; Q57-V69 WeakPolarHBondContact CA-O 3.14Å; Q57-V69 VanDerWaalsContact CG-O 3.32Å; Q57-V69 WeakPolarHBondContact CG-O 3.34Å; Q57-Y70 HydrophobicContact CB-CD1 3.98Å; Q57-Y70 HydrophobicContact CB-CE1 3.79Å; Q57-Y70 HydrophobicContact CB-CG 4.5Å; Q57-Y70 HydrophobicContact CG-CE1 4.48Å; Q57-R156 PolarHBondContact NE2-O 2.98Å; Q57-I161 HydrophobicContact CB-CD1 3.96Å; Q57-I161 HydrophobicContact CG-CD1 4.18Å; Q57-I161 WeakPolarHBondContact O-CD1 3.28Å
58	I	92.2	Very high	92.2	Very high	22 Å²	22	36.7 Å²	36.7	11%	0.113	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-30.1	-179.9	51.8	167.2	0	0	0	112.6	K56 V69 D71 I143 I161	K56-I58 HydrophobicContact CG-CG2 4.32Å; I58-V69 HydrophobicContact CD1-CG1 4.11Å; I58-V69 HydrophobicContact CG1-CB 4.32Å; I58-V69 HydrophobicContact CG1-CG1 4.06Å; I58-V69 VanDerWaalsContact CG1-O 3.31Å; I58-V69 WeakPolarHBondContact CG1-O 3.41Å; I58-V69 PolarHBondContact N-O 3.03Å; I58-D71 HydrophobicContact CD1-CB 4.38Å; I58-D71 HydrophobicContact CG2-CB 3.89Å; I58-I143 WeakPolarHBondContact CD1-O 3.44Å; I58-I161 VanDerWaalsContact O-CG2 3.28Å; I58-I161 WeakPolarHBondContact O-CG2 3.26Å
59	A	94.2	Very high	92.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	174.6	-175.4	0	0	0	0	0	112.8	Q57 V69 N149	Q57-A59 PolarHBondContact NE2-O 3.05Å; Q57-A59 VanDerWaalsContact NE2-O 3.14Å; A59-V69 HydrophobicContact CB-CB 3.94Å; A59-V69 HydrophobicContact CB-CG2 4.15Å; A59-V69 PolarHBondContact N-O 3.1Å; A59-V69 PolarHBondContact O-N 3.22Å; A59-N149 WeakPolarHBondContact CA-OD1 3.46Å
60	S	93.9	Very high	92.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.9	166.8	62.1	0	0	0	0	110.1	W67 S146 N149 T155	S60-W67 CarbonylContact C-O 3.53Å; S60-W67 WeakPolarHBondContact CA-O 3.33Å; S60-S146 VanDerWaalsContact O-CB 3.3Å; S60-S146 WeakPolarHBondContact O-CB 3.42Å; S60-S146 PolarHBondContact O-OG 3.43Å; S60-N149 PolarHBondContact N-OD1 3.23Å; S60-N149 PolarHBondContact O-ND2 3.14Å; S60-N149 PolarHBondContact O-OD1 3.31Å; S60-N149 PolarHBondContact OG-ND2 3.5Å; S60-T155 PolarHBondContact OG-O 2.89Å
61	C	94.6	Very high	92.7	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	180	-173.7	67.1	0	0	0	0	113.5	L65 I66 W67 V69 F84 L206	C61-L65 CarbonylContact O-C 3.59Å; C61-L65 WeakPolarHBondContact O-CA 3.27Å; C61-I66 PolarHBondContact O-N 2.71Å; C61-I66 VanDerWaalsContact O-N 3.16Å; C61-W67 PolarHBondContact N-O 3.46Å; C61-W67 WeakPolarHBondContact O-CB 3.2Å; C61-W67 PolarHBondContact O-N 3.5Å; C61-V69 VanDerWaalsContact SG-CG2 3.58Å; C61-F84 WeakPolarHBondContact SG-CE1 3.46Å; C61-L206 HydrophobicContact CB-CD2 3.56Å
62	G	90.8	Very high	92.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	78	-176.6	-175.8	0	0	0	0	0	113.2	E64 L65 S203	G62-E64 PolarHBondContact O-N 3.41Å; G62-L65 WeakPolarHBondContact O-CA 3.12Å; G62-L65 PolarHBondContact O-N 2.83Å; G62-S203 PolarHBondContact N-O 3.14Å; G62-S203 WeakPolarHBondContact O-CB 3.39Å; G62-S203 PolarHBondContact O-OG 2.93Å
63	P	87.2	Confident	92.8	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.052	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-52.9	130	179.9	-26.1	35.6	0	0	0	110.7	L65 I66 F220 M248	P63-L65 PolarHBondContact O-N 3.16Å; P63-I66 HydrophobicContact CB-CD1 4.34Å; P63-I66 WeakPolarHBondContact O-CD1 3.39Å; P63-I66 VanDerWaalsContact O-CG1 3.22Å; P63-I66 WeakPolarHBondContact O-CG1 3.37Å; P63-I66 WeakPolarHBondContact O-CG2 3.38Å; P63-I66 PolarHBondContact O-N 2.88Å; P63-F220 HydrophobicContact CG-CE2 3.59Å; P63-F220 HydrophobicContact CG-CZ 3.71Å; P63-M248 WeakPolarHBondContact CB-O 3.48Å
64	E	85.9	Confident	93	Very high	97 Å²	97	24 Å²	24	45%	0.453	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	54.9	18.7	-177.3	-66.3	-74	159.3	0	0	114.3	G62 I66 R156 K247 M248	G62-E64 PolarHBondContact O-N 3.41Å; E64-I66 HydrophobicContact CB-CG2 4.05Å; E64-I66 PolarHBondContact O-N 3.41Å; E64-R156 PolarHBondContact O-NH1 3.04Å; E64-K247 HydrophobicContact CG-CB 4.44Å; E64-M248 HydrophobicContact CB-CG 4.11Å; E64-M248 HydrophobicContact CG-CG 4.13Å
65	L	90.1	Very high	92.9	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	55	46.5	-175.7	-56.6	-179.8	0	0	0	113.8	C61 G62 P63 A148 N153 R156	C61-L65 CarbonylContact O-C 3.59Å; C61-L65 WeakPolarHBondContact O-CA 3.27Å; G62-L65 WeakPolarHBondContact O-CA 3.12Å; G62-L65 PolarHBondContact O-N 2.83Å; P63-L65 PolarHBondContact O-N 3.16Å; L65-A148 HydrophobicContact CD2-CB 3.92Å; L65-N153 HydrophobicContact CD1-CB 4.04Å; L65-N153 WeakPolarHBondContact CD1-OD1 3.42Å; L65-R156 WeakPolarHBondContact O-CD 3.48Å; L65-R156 PolarHBondContact O-NH1 3.21Å
66	I	90.5	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.155	C	C	.	.			trans	-80.1	-29.9	-174.4	58.9	-171.8	0	0	0	114.1	C61 P63 E64 F86 L107 M248	C61-I66 PolarHBondContact O-N 2.71Å; C61-I66 VanDerWaalsContact O-N 3.16Å; P63-I66 HydrophobicContact CB-CD1 4.34Å; P63-I66 WeakPolarHBondContact O-CD1 3.39Å; P63-I66 VanDerWaalsContact O-CG1 3.22Å; P63-I66 WeakPolarHBondContact O-CG1 3.37Å; P63-I66 WeakPolarHBondContact O-CG2 3.38Å; P63-I66 PolarHBondContact O-N 2.88Å; E64-I66 HydrophobicContact CB-CG2 4.05Å; E64-I66 PolarHBondContact O-N 3.41Å; I66-F86 HydrophobicContact CB-CD2 4.14Å; I66-F86 HydrophobicContact CB-CE2 4.3Å; I66-L107 HydrophobicContact CD1-CD1 3.98Å; I66-L107 HydrophobicContact CD1-CD2 3.62Å; I66-L107 HydrophobicContact CD1-CG 4.18Å; I66-L107 HydrophobicContact CG1-CD2 4.43Å; I66-M248 HydrophobicContact CB-CE 4.17Å; I66-M248 HydrophobicContact CG2-CE 3.33Å; I66-M248 HydrophobicContact CG2-CG 3.97Å; I66-M248 HydrophobicContact CG2-SD 4.28Å
67	W	94.6	Very high	92.9	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.3	174.8	-67.4	114.8	0	0	0	109.3	S60 C61 F84 F86 L107 L136 F138	S60-W67 CarbonylContact C-O 3.53Å; S60-W67 WeakPolarHBondContact CA-O 3.33Å; C61-W67 PolarHBondContact N-O 3.46Å; C61-W67 WeakPolarHBondContact O-CB 3.2Å; C61-W67 PolarHBondContact O-N 3.5Å; W67-F84 HydrophobicContact CB-CD1 4.04Å; W67-F84 HydrophobicContact CD2-CB 4.43Å; W67-F84 HydrophobicContact CE3-CB 3.92Å; W67-F84 HydrophobicContact CG-CD1 4.25Å; W67-F84 HydrophobicContact CZ3-CB 4.38Å; W67-F86 HydrophobicContact CD2-CB 4.19Å; W67-F86 HydrophobicContact CE3-CB 3.48Å; W67-F86 VanDerWaalsContact CE3-CB 3.48Å; W67-F86 HydrophobicContact CH2-CB 3.97Å; W67-F86 HydrophobicContact CZ3-CB 3.35Å; W67-L107 HydrophobicContact CH2-CB 4.47Å; W67-L107 HydrophobicContact CH2-CD1 4.36Å; W67-L107 HydrophobicContact CZ2-CB 3.84Å; W67-L107 HydrophobicContact CZ2-CD1 3.92Å; W67-L107 HydrophobicContact CZ2-CD2 3.6Å; W67-L107 HydrophobicContact CZ2-CG 3.99Å; W67-L136 HydrophobicContact CH2-CB 4.28Å; W67-L136 HydrophobicContact CH2-CD2 3.64Å; W67-L136 HydrophobicContact CH2-CG 4Å; W67-L136 HydrophobicContact CZ2-CD2 4.29Å; W67-L136 HydrophobicContact CZ3-CB 4.43Å; W67-F138 HydrophobicContact CD2-CE1 4.13Å; W67-F138 AromaticContact CE2-CE1 3.94Å; W67-F138 HydrophobicContact CE3-CE1 4.1Å; W67-F138 AromaticContact CH2-CD1 3.82Å; W67-F138 HydrophobicContact CH2-CD1 3.82Å; W67-F138 AromaticContact CH2-CE1 3.72Å; W67-F138 HydrophobicContact CH2-CE1 3.72Å; W67-F138 HydrophobicContact CZ2-CD1 4.25Å; W67-F138 AromaticContact CZ2-CE1 3.74Å; W67-F138 HydrophobicContact CZ2-CE1 3.74Å; W67-F138 HydrophobicContact CZ3-CD1 4Å; W67-F138 AromaticContact CZ3-CE1 3.9Å; W67-F138 HydrophobicContact CZ3-CE1 3.9Å
68	K	94.9	Very high	92.8	Very high	55 Å²	55	38.3 Å²	38.3	24%	0.239	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.1	163.6	-64.5	-178.6	-175.7	174.2	0	108.1	Y70 L85	K68-Y70 HydrophobicContact CB-CD2 4.31Å; K68-Y70 HydrophobicContact CB-CE2 3.56Å; K68-Y70 HydrophobicContact CD-CE2 4.41Å; K68-L85 PolarHBondContact N-O 3.08Å; K68-L85 PolarHBondContact O-N 2.89Å
69	V	95.7	Very high	92.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.3	-179	-170.7	0	0	0	0	108.9	Q57 I58 A59 C61 F84 I143	Q57-V69 WeakPolarHBondContact CA-O 3.14Å; Q57-V69 VanDerWaalsContact CG-O 3.32Å; Q57-V69 WeakPolarHBondContact CG-O 3.34Å; I58-V69 HydrophobicContact CD1-CG1 4.11Å; I58-V69 HydrophobicContact CG1-CB 4.32Å; I58-V69 HydrophobicContact CG1-CG1 4.06Å; I58-V69 VanDerWaalsContact CG1-O 3.31Å; I58-V69 WeakPolarHBondContact CG1-O 3.41Å; I58-V69 PolarHBondContact N-O 3.03Å; A59-V69 HydrophobicContact CB-CB 3.94Å; A59-V69 HydrophobicContact CB-CG2 4.15Å; A59-V69 PolarHBondContact N-O 3.1Å; A59-V69 PolarHBondContact O-N 3.22Å; C61-V69 VanDerWaalsContact SG-CG2 3.58Å; V69-F84 HydrophobicContact CG1-CD2 4.35Å; V69-F84 HydrophobicContact CG1-CE1 4.48Å; V69-F84 HydrophobicContact CG1-CE2 3.9Å; V69-F84 HydrophobicContact CG1-CZ 3.99Å; V69-F84 HydrophobicContact CG2-CD1 3.87Å; V69-F84 HydrophobicContact CG2-CE1 3.66Å; V69-F84 HydrophobicContact CG2-CG 4.43Å; V69-F84 HydrophobicContact CG2-CZ 3.99Å; V69-I143 HydrophobicContact CG1-CB 4.42Å
70	Y	95.1	Very high	92.9	Very high	12 Å²	12	43.1 Å²	43.1	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.4	179.1	-66.6	-102.4	0	0	0	110.2	I41 F43 I54 K56 Q57 K68 S82 V83 L85	I41-Y70 HydrophobicContact CG2-CE1 4.41Å; F43-Y70 HydrophobicContact CD2-CD1 4.28Å; F43-Y70 HydrophobicContact CD2-CD2 4.37Å; F43-Y70 HydrophobicContact CD2-CE1 4.16Å; F43-Y70 HydrophobicContact CD2-CE2 4.26Å; F43-Y70 HydrophobicContact CD2-CG 4.4Å; F43-Y70 HydrophobicContact CE2-CD2 4.01Å; F43-Y70 HydrophobicContact CE2-CE2 4.08Å; F43-Y70 HydrophobicContact CE2-CG 4.32Å; I54-Y70 HydrophobicContact CG2-CD1 4Å; I54-Y70 HydrophobicContact CG2-CG 3.99Å; K56-Y70 WeakPolarHBondContact O-CA 3.4Å; Q57-Y70 HydrophobicContact CB-CD1 3.98Å; Q57-Y70 HydrophobicContact CB-CE1 3.79Å; Q57-Y70 HydrophobicContact CB-CG 4.5Å; Q57-Y70 HydrophobicContact CG-CE1 4.48Å; K68-Y70 HydrophobicContact CB-CD2 4.31Å; K68-Y70 HydrophobicContact CB-CE2 3.56Å; K68-Y70 HydrophobicContact CD-CE2 4.41Å; Y70-S82 CarbonylContact O-C 3.6Å; Y70-S82 VanDerWaalsContact O-CA 3.29Å; Y70-S82 WeakPolarHBondContact O-CA 3.21Å; Y70-V83 PolarHBondContact N-O 3.31Å; Y70-V83 PolarHBondContact O-N 3.36Å; Y70-L85 HydrophobicContact CD2-CB 4.27Å; Y70-L85 HydrophobicContact CE2-CB 3.95Å; Y70-L85 HydrophobicContact CE2-CD2 3.89Å
71	D	94.8	Very high	93	Very high	18 Å²	18	43.1 Å²	43.1	10%	0.096	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.9	166.3	179.7	65.5	0	0	0	108.3	N55 K56 I58 R142	N55-D71 WeakPolarHBondContact CA-O 3.44Å; N55-D71 HydrophobicContact CB-CB 4.28Å; N55-D71 VanDerWaalsContact CB-O 3.3Å; N55-D71 WeakPolarHBondContact CB-O 3.18Å; N55-D71 PolarHBondContact N-O 3.05Å; N55-D71 PolarHBondContact ND2-OD2 3.06Å; K56-D71 PolarHBondContact O-N 3.19Å; I58-D71 HydrophobicContact CD1-CB 4.38Å; I58-D71 HydrophobicContact CG2-CB 3.89Å; D71-R142 IonicContact OD1-CZ 3.92Å; D71-R142 IonicContact OD1-NE 3.85Å; D71-R142 PolarHBondContact OD1-NE 3.4Å; D71-R142 VanDerWaalsContact OD1-NE 3.16Å; D71-R142 IonicContact OD1-NH2 3.78Å; D71-R142 PolarHBondContact OD1-NH2 2.76Å; D71-R142 IonicContact OD2-NH2 2.87Å
72	A	95.7	Very high	93.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.3	-175.5	0	0	0	0	0	111.7	I53 C81 V83	I53-A72 CarbonylContact O-C 3.11Å; I53-A72 WeakPolarHBondContact O-CA 3.44Å; I53-A72 WeakPolarHBondContact O-CB 3.49Å; A72-C81 PolarHBondContact N-O 3.35Å; A72-C81 PolarHBondContact O-N 3.06Å; A72-V83 HydrophobicContact CB-CB 4.22Å; A72-V83 HydrophobicContact CB-CG2 3.61Å
73	V	95.8	Very high	93.4	Very high	30 Å²	30	42.9 Å²	42.9	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.1	174.7	-179	0	0	0	0	109.1	F52 I53 Q78 L79	F52-V73 WeakPolarHBondContact CA-O 3.12Å; I53-V73 PolarHBondContact N-O 3Å; I53-V73 PolarHBondContact O-N 3.2Å; V73-Q78 HydrophobicContact CG1-CB 4.2Å; V73-Q78 WeakPolarHBondContact CG1-O 3.35Å; V73-L79 WeakPolarHBondContact CA-O 3.11Å
74	R	95.8	Very high	93.9	Very high	58 Å²	58	42.7 Å²	42.7	22%	0.219	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.9	176.4	-172.2	163.7	66.2	-178.9	2.4	110.1	F52 Q76 D77 Q78 L79	F52-R74 HydrophobicContact CD1-CB 3.87Å; F52-R74 HydrophobicContact CD1-CG 4.22Å; F52-R74 HydrophobicContact CE1-CB 3.65Å; F52-R74 HydrophobicContact CE1-CG 3.76Å; F52-R74 HydrophobicContact CZ-CG 4.32Å; R74-Q76 HydrophobicContact CG-CB 4.43Å; R74-Q76 PolarHBondContact O-N 3.46Å; R74-D77 WeakPolarHBondContact CB-OD1 3.35Å; R74-D77 IonicContact CZ-OD1 2.73Å; R74-D77 IonicContact CZ-OD2 2.77Å; R74-D77 IonicContact NE-OD1 3.8Å; R74-D77 PolarHBondContact NE-OD1 3.28Å; R74-D77 IonicContact NE-OD2 2.96Å; R74-D77 PolarHBondContact NE-OD2 2.94Å; R74-D77 IonicContact NH2-OD1 2.87Å; R74-D77 IonicContact NH2-OD2 3.43Å; R74-D77 PolarHBondContact NH2-OD2 3.43Å; R74-Q78 WeakPolarHBondContact O-CA 3.35Å; R74-Q78 PolarHBondContact O-N 3.47Å; R74-L79 HydrophobicContact CB-CB 4.18Å; R74-L79 PolarHBondContact N-O 2.87Å
75	R	92.9	Very high	94.3	Very high	125 Å²	125	38.2 Å²	38.2	47%	0.472	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.1	-174.4	-71.3	176.5	-176.5	-85.7	1.9	113.4	T49 K50 Y51 I53 Q78	T49-R75 PolarHBondContact O-NE 3Å; T49-R75 PolarHBondContact O-NH2 2.89Å; K50-R75 VanDerWaalsContact O-CD 3.25Å; K50-R75 WeakPolarHBondContact O-CD 3.36Å; Y51-R75 WeakPolarHBondContact O-CB 3.24Å; Y51-R75 WeakPolarHBondContact O-CG 3.43Å; Y51-R75 PolarHBondContact O-N 3.18Å; I53-R75 HydrophobicContact CD1-CG 4.24Å; I53-R75 HydrophobicContact CG1-CG 3.83Å; R75-Q78 PolarHBondContact O-NE2 2.6Å
76	Q	91.5	Very high	94.5	Very high	176 Å²	176	38.1 Å²	38.1	82%	0.822	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-44.6	-173.9	-176.7	178.2	-1.3	0	0	112.9	R74	R74-Q76 HydrophobicContact CG-CB 4.43Å; R74-Q76 PolarHBondContact O-N 3.46Å
77	D	91.6	Very high	94.5	Very high	77 Å²	77	40.4 Å²	40.4	41%	0.412	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	8.5	-170.4	65.7	-23.3	0	0	0	113.5	R74 L79	R74-D77 WeakPolarHBondContact CB-OD1 3.35Å; R74-D77 IonicContact CZ-OD1 2.73Å; R74-D77 IonicContact CZ-OD2 2.77Å; R74-D77 IonicContact NE-OD1 3.8Å; R74-D77 PolarHBondContact NE-OD1 3.28Å; R74-D77 IonicContact NE-OD2 2.96Å; R74-D77 PolarHBondContact NE-OD2 2.94Å; R74-D77 IonicContact NH2-OD1 2.87Å; R74-D77 IonicContact NH2-OD2 3.43Å; R74-D77 PolarHBondContact NH2-OD2 3.43Å; D77-L79 PolarHBondContact O-N 3.48Å; D77-L79 VanDerWaalsContact OD1-CB 3.3Å; D77-L79 WeakPolarHBondContact OD1-CB 3.4Å; D77-L79 PolarHBondContact OD1-N 3.14Å; D77-L79 WeakPolarHBondContact OD2-CB 3.23Å
78	Q	91.5	Very high	94.3	Very high	115 Å²	115	41 Å²	41	54%	0.537	20%	0.196	S	C	.	.			trans	58.1	25.6	-176.4	-57.4	-62	-46	0	0	113.7	V73 R74 R75 P80	V73-Q78 HydrophobicContact CG1-CB 4.2Å; V73-Q78 WeakPolarHBondContact CG1-O 3.35Å; R74-Q78 WeakPolarHBondContact O-CA 3.35Å; R74-Q78 PolarHBondContact O-N 3.47Å; R75-Q78 PolarHBondContact O-NE2 2.6Å; Q78-P80 VanDerWaalsContact O-CD 3.28Å; Q78-P80 WeakPolarHBondContact O-CD 3.37Å
79	L	92.6	Very high	93.8	Very high	64 Å²	64	40.3 Å²	40.3	34%	0.335	20%	0.198	S	C	.	.			trans	-67.3	122.8	178.4	-177.3	68.7	0	0	0	110.8	V73 R74 D77 C81 L126	V73-L79 WeakPolarHBondContact CA-O 3.11Å; R74-L79 HydrophobicContact CB-CB 4.18Å; R74-L79 PolarHBondContact N-O 2.87Å; D77-L79 PolarHBondContact O-N 3.48Å; D77-L79 VanDerWaalsContact OD1-CB 3.3Å; D77-L79 WeakPolarHBondContact OD1-CB 3.4Å; D77-L79 PolarHBondContact OD1-N 3.14Å; D77-L79 WeakPolarHBondContact OD2-CB 3.23Å; L79-C81 PolarHBondContact O-N 3.36Å; L79-L126 HydrophobicContact CD2-CD1 3.99Å
80	P	94.4	Very high	93.2	Very high	59 Å²	59	41.4 Å²	41.4	38%	0.383	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.9	172.2	-21.5	35.1	0	0	0	111.1	Q78 R142	Q78-P80 VanDerWaalsContact O-CD 3.28Å; Q78-P80 WeakPolarHBondContact O-CD 3.37Å; P80-R142 HydrophobicContact CB-CG 4.39Å
81	C	96.3	Very high	92.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-178.3	-174.5	64.1	0	0	0	0	111.4	F52 A72 L79 L126 S140	F52-C81 WeakPolarHBondContact CD1-SG 3.29Å; F52-C81 VanDerWaalsContact CE1-SG 3.52Å; A72-C81 PolarHBondContact N-O 3.35Å; A72-C81 PolarHBondContact O-N 3.06Å; L79-C81 PolarHBondContact O-N 3.36Å; C81-L126 HydrophobicContact CB-CD1 3.76Å; C81-S140 VanDerWaalsContact CB-O 3.32Å; C81-S140 WeakPolarHBondContact CB-O 3.4Å
82	S	97.3	Very high	91.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.1	173	-64.9	0	0	0	0	111.3	Y70 A139 S140 I143	Y70-S82 CarbonylContact O-C 3.6Å; Y70-S82 VanDerWaalsContact O-CA 3.29Å; Y70-S82 WeakPolarHBondContact O-CA 3.21Å; S82-A139 CarbonylContact O-C 3.59Å; S82-A139 VanDerWaalsContact O-CA 3.32Å; S82-A139 WeakPolarHBondContact O-CA 3.24Å; S82-S140 PolarHBondContact N-O 2.91Å; S82-S140 VanDerWaalsContact N-O 3.1Å; S82-S140 PolarHBondContact O-N 3.05Å; S82-I143 PolarHBondContact OG-N 2.88Å
83	V	97	Very high	90.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.7	176.6	169.9	0	0	0	0	109.3	F43 I48 F52 I54 Y70 A72 F138 A139	F43-V83 HydrophobicContact CE2-CG1 4.47Å; F43-V83 HydrophobicContact CZ-CG1 4.23Å; I48-V83 HydrophobicContact CD1-CG1 3.94Å; I48-V83 HydrophobicContact CD1-CG2 4.38Å; I48-V83 HydrophobicContact CG2-CG1 4.34Å; F52-V83 HydrophobicContact CB-CG2 4.09Å; F52-V83 HydrophobicContact CD1-CG2 4.47Å; F52-V83 HydrophobicContact CD2-CG2 4.43Å; F52-V83 HydrophobicContact CG-CG2 4.08Å; I54-V83 HydrophobicContact CD1-CG1 4.19Å; Y70-V83 PolarHBondContact N-O 3.31Å; Y70-V83 PolarHBondContact O-N 3.36Å; A72-V83 HydrophobicContact CB-CB 4.22Å; A72-V83 HydrophobicContact CB-CG2 3.61Å; V83-F138 WeakPolarHBondContact CA-O 3.42Å; V83-A139 HydrophobicContact CG2-CB 4.17Å
84	F	97	Very high	88.7	Confident	3 Å²	3	54.5 Å²	54.5	1%	0.013	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.6	179.3	-71.4	-118.8	0	0	0	107.8	C61 W67 V69 L123 S137 F138 S140 I143 L206	C61-F84 WeakPolarHBondContact SG-CE1 3.46Å; W67-F84 HydrophobicContact CB-CD1 4.04Å; W67-F84 HydrophobicContact CD2-CB 4.43Å; W67-F84 HydrophobicContact CE3-CB 3.92Å; W67-F84 HydrophobicContact CG-CD1 4.25Å; W67-F84 HydrophobicContact CZ3-CB 4.38Å; V69-F84 HydrophobicContact CG1-CD2 4.35Å; V69-F84 HydrophobicContact CG1-CE1 4.48Å; V69-F84 HydrophobicContact CG1-CE2 3.9Å; V69-F84 HydrophobicContact CG1-CZ 3.99Å; V69-F84 HydrophobicContact CG2-CD1 3.87Å; V69-F84 HydrophobicContact CG2-CE1 3.66Å; V69-F84 HydrophobicContact CG2-CG 4.43Å; V69-F84 HydrophobicContact CG2-CZ 3.99Å; F84-L123 HydrophobicContact CZ-CD2 4.24Å; F84-S137 WeakPolarHBondContact O-CA 3.44Å; F84-S137 WeakPolarHBondContact O-CB 3.5Å; F84-F138 HydrophobicContact CB-CD1 3.74Å; F84-F138 HydrophobicContact CB-CD2 4.34Å; F84-F138 HydrophobicContact CB-CE1 3.35Å; F84-F138 HydrophobicContact CB-CE2 3.99Å; F84-F138 HydrophobicContact CB-CG 4.23Å; F84-F138 HydrophobicContact CB-CZ 3.5Å; F84-F138 VanDerWaalsContact CB-CZ 3.5Å; F84-F138 HydrophobicContact CD1-CE1 4.01Å; F84-F138 HydrophobicContact CD1-CE2 4.15Å; F84-F138 AromaticContact CD1-CZ 3.45Å; F84-F138 HydrophobicContact CD1-CZ 3.45Å; F84-F138 VanDerWaalsContact CD1-CZ 3.45Å; F84-F138 HydrophobicContact CD2-CD2 4.35Å; F84-F138 AromaticContact CD2-CE2 3.73Å; F84-F138 HydrophobicContact CD2-CE2 3.73Å; F84-F138 AromaticContact CD2-CZ 3.86Å; F84-F138 HydrophobicContact CD2-CZ 3.86Å; F84-F138 HydrophobicContact CE1-CZ 4.1Å; F84-F138 HydrophobicContact CE2-CE2 4.29Å; F84-F138 HydrophobicContact CG-CD1 4.46Å; F84-F138 HydrophobicContact CG-CD2 4.42Å; F84-F138 AromaticContact CG-CE1 3.76Å; F84-F138 HydrophobicContact CG-CE1 3.76Å; F84-F138 AromaticContact CG-CE2 3.69Å; F84-F138 HydrophobicContact CG-CE2 3.69Å; F84-F138 AromaticContact CG-CZ 3.32Å; F84-F138 HydrophobicContact CG-CZ 3.32Å; F84-F138 PolarHBondContact N-O 3.26Å; F84-F138 PolarHBondContact O-N 2.95Å; F84-F138 VanDerWaalsContact O-N 3.16Å; F84-S140 WeakPolarHBondContact CE2-OG 3.44Å; F84-I143 HydrophobicContact CE2-CG1 4.34Å; F84-I143 HydrophobicContact CZ-CG1 4.09Å; F84-L206 HydrophobicContact CE1-CD1 3.98Å; F84-L206 HydrophobicContact CZ-CD1 3.83Å
85	L	95.5	Very high	87	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.9	-179.8	174.2	71.5	0	0	0	109.8	F43 P44 K68 Y70 T135 S137	F43-L85 HydrophobicContact CD2-CD2 4.09Å; F43-L85 HydrophobicContact CE2-CB 3.99Å; F43-L85 HydrophobicContact CE2-CD1 4.37Å; F43-L85 HydrophobicContact CE2-CD2 3.66Å; F43-L85 HydrophobicContact CE2-CG 4.21Å; F43-L85 HydrophobicContact CZ-CB 4.2Å; F43-L85 HydrophobicContact CZ-CD1 3.94Å; F43-L85 HydrophobicContact CZ-CD2 4.06Å; F43-L85 HydrophobicContact CZ-CG 4.28Å; P44-L85 HydrophobicContact CG-CD1 3.88Å; P44-L85 HydrophobicContact CG-CD2 3.54Å; P44-L85 HydrophobicContact CG-CG 4.32Å; K68-L85 PolarHBondContact N-O 3.08Å; K68-L85 PolarHBondContact O-N 2.89Å; Y70-L85 HydrophobicContact CD2-CB 4.27Å; Y70-L85 HydrophobicContact CE2-CB 3.95Å; Y70-L85 HydrophobicContact CE2-CD2 3.89Å; L85-T135 HydrophobicContact CD1-CG2 4.01Å; L85-S137 WeakPolarHBondContact CD1-OG 3.44Å
86	F	93.7	Very high	85.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.7	168	167.8	-115.7	0	0	0	109.2	I66 W67 K88 A91 V103 L107 T135 L136 M248	I66-F86 HydrophobicContact CB-CD2 4.14Å; I66-F86 HydrophobicContact CB-CE2 4.3Å; W67-F86 HydrophobicContact CD2-CB 4.19Å; W67-F86 HydrophobicContact CE3-CB 3.48Å; W67-F86 VanDerWaalsContact CE3-CB 3.48Å; W67-F86 HydrophobicContact CH2-CB 3.97Å; W67-F86 HydrophobicContact CZ3-CB 3.35Å; F86-K88 HydrophobicContact CD1-CG 4.21Å; F86-K88 HydrophobicContact CE1-CB 4.42Å; F86-K88 HydrophobicContact CE1-CG 3.86Å; F86-A91 HydrophobicContact CZ-CB 4.12Å; F86-V103 HydrophobicContact CE1-CG1 4.44Å; F86-V103 HydrophobicContact CZ-CG1 3.99Å; F86-L107 HydrophobicContact CB-CD1 4.24Å; F86-L107 HydrophobicContact CD1-CD1 3.4Å; F86-L107 HydrophobicContact CD2-CD1 4.12Å; F86-L107 HydrophobicContact CE1-CD1 3.65Å; F86-L107 HydrophobicContact CE2-CD1 4.34Å; F86-L107 HydrophobicContact CG-CD1 3.65Å; F86-L107 HydrophobicContact CZ-CD1 4.12Å; F86-T135 CarbonylContact O-C 3.48Å; F86-T135 VanDerWaalsContact O-CA 3.31Å; F86-T135 WeakPolarHBondContact O-CA 3.37Å; F86-L136 HydrophobicContact CB-CB 4.22Å; F86-L136 HydrophobicContact CD1-CB 4Å; F86-L136 HydrophobicContact CD1-CD2 4.49Å; F86-L136 PolarHBondContact N-O 3.22Å; F86-L136 PolarHBondContact O-N 2.9Å; F86-M248 HydrophobicContact CE2-CE 3.73Å; F86-M248 HydrophobicContact CZ-CE 4.13Å
87	D	91.3	Very high	84	Confident	48 Å²	48	50.1 Å²	50.1	26%	0.257	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.7	171.9	174.9	-6.7	0	0	0	108.8	S89 I90	D87-S89 PolarHBondContact O-N 3.27Å; D87-S89 WeakPolarHBondContact OD1-CB 3.34Å; D87-S89 PolarHBondContact OD1-N 2.98Å; D87-S89 PolarHBondContact OD1-OG 3.37Å; D87-S89 PolarHBondContact OD2-OG 2.69Å; D87-I90 HydrophobicContact CB-CD1 3.95Å; D87-I90 HydrophobicContact CB-CG1 4.18Å; D87-I90 VanDerWaalsContact O-CB 3.32Å; D87-I90 WeakPolarHBondContact O-CB 3.39Å; D87-I90 WeakPolarHBondContact O-CG1 3.46Å; D87-I90 PolarHBondContact O-N 3.45Å; D87-I90 VanDerWaalsContact O-N 3.13Å
88	K	90	Very high	82.8	Confident	17 Å²	17	57.2 Å²	57.2	7%	0.074	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.3	-175.8	-66.8	176.7	172.7	177.7	0	112.4	F86 I90 A91 R100 E131 T132 S133 E134	F86-K88 HydrophobicContact CD1-CG 4.21Å; F86-K88 HydrophobicContact CE1-CB 4.42Å; F86-K88 HydrophobicContact CE1-CG 3.86Å; K88-I90 PolarHBondContact O-N 2.84Å; K88-A91 WeakPolarHBondContact O-CB 3.28Å; K88-A91 PolarHBondContact O-N 3.31Å; K88-A91 VanDerWaalsContact O-N 3.08Å; K88-R100 HydrophobicContact CB-CG 4.47Å; K88-E131 IonicContact NZ-OE1 2.76Å; K88-E131 PolarHBondContact NZ-OE1 3.14Å; K88-T132 PolarHBondContact NZ-O 3.5Å; K88-S133 WeakPolarHBondContact CD-O 3.48Å; K88-E134 VanDerWaalsContact CB-O 3.22Å; K88-E134 WeakPolarHBondContact CB-O 3.35Å; K88-E134 WeakPolarHBondContact CG-O 3.37Å; K88-E134 PolarHBondContact N-O 2.83Å
89	S	84.9	Confident	82.1	Confident	41 Å²	41	56 Å²	56	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-24.2	176	76.3	0	0	0	0	112.7	D87 A91 D92 K93	D87-S89 PolarHBondContact O-N 3.27Å; D87-S89 WeakPolarHBondContact OD1-CB 3.34Å; D87-S89 PolarHBondContact OD1-N 2.98Å; D87-S89 PolarHBondContact OD1-OG 3.37Å; D87-S89 PolarHBondContact OD2-OG 2.69Å; S89-A91 VanDerWaalsContact C-N 3.32Å; S89-A91 PolarHBondContact O-N 3.38Å; S89-D92 PolarHBondContact O-N 3.46Å; S89-K93 PolarHBondContact O-N 2.8Å; S89-K93 VanDerWaalsContact O-N 3.07Å
90	I	82.6	Confident	81.6	Confident	23 Å²	23	56.9 Å²	56.9	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-39.2	176.3	-60.4	171.7	0	0	0	110.3	D87 K88 D92 K93 L94 M248	D87-I90 HydrophobicContact CB-CD1 3.95Å; D87-I90 HydrophobicContact CB-CG1 4.18Å; D87-I90 VanDerWaalsContact O-CB 3.32Å; D87-I90 WeakPolarHBondContact O-CB 3.39Å; D87-I90 WeakPolarHBondContact O-CG1 3.46Å; D87-I90 PolarHBondContact O-N 3.45Å; D87-I90 VanDerWaalsContact O-N 3.13Å; K88-I90 PolarHBondContact O-N 2.84Å; I90-D92 VanDerWaalsContact C-N 3.3Å; I90-D92 PolarHBondContact O-N 2.8Å; I90-K93 PolarHBondContact O-N 3.13Å; I90-L94 HydrophobicContact CG2-CD1 3.84Å; I90-L94 PolarHBondContact O-N 2.87Å; I90-M248 HydrophobicContact CG2-CE 4.26Å
91	A	78.1	Confident	81.2	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-33.7	176.3	0	0	0	0	0	111.9	F86 K88 S89 H95 R100 M248	F86-A91 HydrophobicContact CZ-CB 4.12Å; K88-A91 WeakPolarHBondContact O-CB 3.28Å; K88-A91 PolarHBondContact O-N 3.31Å; K88-A91 VanDerWaalsContact O-N 3.08Å; S89-A91 VanDerWaalsContact C-N 3.32Å; S89-A91 PolarHBondContact O-N 3.38Å; A91-H95 WeakPolarHBondContact O-CB 3.47Å; A91-H95 PolarHBondContact O-N 3.42Å; A91-R100 HydrophobicContact CB-CB 4.33Å; A91-R100 HydrophobicContact CB-CG 4.15Å; A91-M248 HydrophobicContact CB-CE 4.05Å; A91-M248 HydrophobicContact CB-SD 4.41Å
92	D	76.1	Confident	80.7	Confident	60 Å²	60	61 Å²	61	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-70.2	-38.2	177.8	-68.2	-32	0	0	0	112.1	S89 I90 R100	S89-D92 PolarHBondContact O-N 3.46Å; I90-D92 VanDerWaalsContact C-N 3.3Å; I90-D92 PolarHBondContact O-N 2.8Å; D92-R100 WeakPolarHBondContact OD1-CD 3.36Å; D92-R100 IonicContact OD1-NH1 3.43Å; D92-R100 IonicContact OD2-CZ 2.68Å; D92-R100 IonicContact OD2-NH1 3.6Å; D92-R100 PolarHBondContact OD2-NH1 2.98Å
93	K	69.7	Low	80.3	Confident	182 Å²	182	61 Å²	61	79%	0.791	29%	0.287	S	S	*	.	H	α-helix	trans	-68.8	-34	177.4	-72	176.2	-177.4	171.7	0	113	S89 I90	S89-K93 PolarHBondContact O-N 2.8Å; S89-K93 VanDerWaalsContact O-N 3.07Å; I90-K93 PolarHBondContact O-N 3.13Å
94	L	62	Low	80	Confident	91 Å²	91	61.4 Å²	61.4	48%	0.476	29%	0.289	S	S	.	.	H	α-helix	trans	-88.6	-23.9	-176.9	-77.6	155.4	0	0	0	112.9	I90 M248	I90-L94 HydrophobicContact CG2-CD1 3.84Å; I90-L94 PolarHBondContact O-N 2.87Å; L94-M248 HydrophobicContact CB-SD 4.26Å; L94-M248 HydrophobicContact CD1-SD 3.83Å
95	H	61.4	Low	79.6	Confident	34 Å²	34	64.2 Å²	64.2	16%	0.157	31%	0.309	C	S	.	.	S	Bend	trans	-146.8	156.5	-168.6	-60.6	-49.2	0	0	0	114.2	A91 R99 P246	A91-H95 WeakPolarHBondContact O-CB 3.47Å; A91-H95 PolarHBondContact O-N 3.42Å; H95-R99 HydrophobicContact CB-CB 4.16Å; H95-P246 HydrophobicContact CB-CB 4.33Å; H95-P246 WeakPolarHBondContact CD2-CB 3.37Å; H95-P246 WeakPolarHBondContact NE2-CB 3.41Å
96	K	63.5	Low	79.4	Confident	137 Å²	137	64.2 Å²	64.2	60%	0.596	31%	0.309	S	S	*	.			trans	-56.8	139.6	175.3	-64	-176.6	-178.1	178.7	0	110.8	R98 R99	K96-R98 PolarHBondContact O-N 2.96Å; K96-R98 VanDerWaalsContact O-N 3.1Å; K96-R99 VanDerWaalsContact O-CB 3.29Å; K96-R99 WeakPolarHBondContact O-CB 3.22Å; K96-R99 PolarHBondContact O-N 2.86Å
97	P	57.2	Low	79.3	Confident	96 Å²	96	64.3 Å²	64.3	62%	0.623	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-56.3	-33.4	-164.1	13.5	-28.2	0	0	0	116.5	R99 R100	P97-R99 PolarHBondContact O-N 2.64Å; P97-R100 WeakPolarHBondContact O-CB 3.32Å; P97-R100 PolarHBondContact O-N 2.87Å
98	R	67.4	Low	79.4	Confident	227 Å²	227	65.7 Å²	65.7	86%	0.857	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-60	-15.5	174.1	-89.3	-174.9	174.9	164.7	-1	114.3	K96	K96-R98 PolarHBondContact O-N 2.96Å; K96-R98 VanDerWaalsContact O-N 3.1Å
99	R	76.9	Confident	79.4	Confident	88 Å²	88	66.6 Å²	66.6	33%	0.332	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-86	-16.6	-178.7	-67	-178.3	170.6	-179.7	-1.9	113.4	H95 K96 P97 D101 I102 V103 P246	H95-R99 HydrophobicContact CB-CB 4.16Å; K96-R99 VanDerWaalsContact O-CB 3.29Å; K96-R99 WeakPolarHBondContact O-CB 3.22Å; K96-R99 PolarHBondContact O-N 2.86Å; P97-R99 PolarHBondContact O-N 2.64Å; R99-D101 VanDerWaalsContact C-N 3.28Å; R99-D101 PolarHBondContact O-N 3.27Å; R99-I102 WeakPolarHBondContact O-CB 3.16Å; R99-I102 PolarHBondContact O-N 3.43Å; R99-V103 PolarHBondContact O-N 3.42Å; R99-V103 VanDerWaalsContact O-N 3.15Å; R99-P246 HydrophobicContact CB-CB 4.32Å; R99-P246 HydrophobicContact CB-CG 4Å
100	R	81.9	Confident	79.8	Confident	84 Å²	84	64.9 Å²	64.9	32%	0.317	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-39.5	177.4	-178.7	-177.8	67.5	-164.2	5.8	112	K88 A91 D92 P97 I102 V103 T104	K88-R100 HydrophobicContact CB-CG 4.47Å; A91-R100 HydrophobicContact CB-CB 4.33Å; A91-R100 HydrophobicContact CB-CG 4.15Å; D92-R100 WeakPolarHBondContact OD1-CD 3.36Å; D92-R100 IonicContact OD1-NH1 3.43Å; D92-R100 IonicContact OD2-CZ 2.68Å; D92-R100 IonicContact OD2-NH1 3.6Å; D92-R100 PolarHBondContact OD2-NH1 2.98Å; P97-R100 WeakPolarHBondContact O-CB 3.32Å; P97-R100 PolarHBondContact O-N 2.87Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.88Å; R100-V103 PolarHBondContact O-N 3.27Å; R100-T104 WeakPolarHBondContact O-CB 3.42Å; R100-T104 PolarHBondContact O-N 3.39Å; R100-T104 PolarHBondContact O-OG1 3.08Å
101	D	85.7	Confident	80.3	Confident	100 Å²	100	63.9 Å²	63.9	54%	0.535	30%	0.299	S	S	.	.	H	α-helix	trans	-66.9	-36.8	-179.6	-57.4	-29.7	0	0	0	111.2	R99 T104 S105	R99-D101 VanDerWaalsContact C-N 3.28Å; R99-D101 PolarHBondContact O-N 3.27Å; D101-T104 PolarHBondContact O-N 3.33Å; D101-S105 WeakPolarHBondContact O-CB 3.25Å; D101-S105 PolarHBondContact O-N 2.99Å; D101-S105 PolarHBondContact O-OG 2.92Å
102	I	86	Confident	81	Confident	45 Å²	45	69.1 Å²	69.1	23%	0.231	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-50.3	174.2	-57.4	173.9	0	0	0	109.9	R99 R100 T104 S105 V106 W245 A249	R99-I102 WeakPolarHBondContact O-CB 3.16Å; R99-I102 PolarHBondContact O-N 3.43Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.88Å; I102-T104 VanDerWaalsContact C-N 3.33Å; I102-T104 PolarHBondContact O-N 2.86Å; I102-S105 PolarHBondContact O-N 3.17Å; I102-S105 PolarHBondContact O-OG 2.65Å; I102-V106 WeakPolarHBondContact O-CG2 3.41Å; I102-V106 PolarHBondContact O-N 3.3Å; I102-W245 HydrophobicContact CG2-CD2 3.89Å; I102-W245 HydrophobicContact CG2-CE3 4.43Å; I102-W245 HydrophobicContact CG2-CG 3.97Å; I102-A249 HydrophobicContact CG2-CB 4.06Å
103	V	88.7	Confident	81.8	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-58.6	-47.3	177.6	178.4	0	0	0	0	110.6	F86 R99 R100 S105 V106 L107 P246 M248 A249	F86-V103 HydrophobicContact CE1-CG1 4.44Å; F86-V103 HydrophobicContact CZ-CG1 3.99Å; R99-V103 PolarHBondContact O-N 3.42Å; R99-V103 VanDerWaalsContact O-N 3.15Å; R100-V103 PolarHBondContact O-N 3.27Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 2.81Å; V103-V106 PolarHBondContact O-N 3.06Å; V103-L107 HydrophobicContact CG1-CD1 4.13Å; V103-L107 HydrophobicContact CG1-CG 4.4Å; V103-L107 WeakPolarHBondContact O-CG 3.37Å; V103-L107 PolarHBondContact O-N 2.98Å; V103-P246 HydrophobicContact CG2-CB 4.33Å; V103-P246 HydrophobicContact CG2-CG 3.5Å; V103-P246 VanDerWaalsContact CG2-CG 3.5Å; V103-M248 HydrophobicContact CG1-CB 4.18Å; V103-M248 HydrophobicContact CG1-CE 4.11Å; V103-M248 HydrophobicContact CG2-CB 3.97Å; V103-A249 HydrophobicContact CG2-CB 4.24Å
104	T	90.4	Very high	82.9	Confident	7 Å²	7	58 Å²	58	4%	0.043	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-40	179.4	-53.3	0	0	0	0	111.3	R100 D101 I102 L107 K108	R100-T104 WeakPolarHBondContact O-CB 3.42Å; R100-T104 PolarHBondContact O-N 3.39Å; R100-T104 PolarHBondContact O-OG1 3.08Å; D101-T104 PolarHBondContact O-N 3.33Å; I102-T104 VanDerWaalsContact C-N 3.33Å; I102-T104 PolarHBondContact O-N 2.86Å; T104-L107 PolarHBondContact O-N 3.49Å; T104-K108 HydrophobicContact CG2-CD 4.36Å; T104-K108 WeakPolarHBondContact O-CB 3.01Å; T104-K108 VanDerWaalsContact O-CG 3.31Å; T104-K108 WeakPolarHBondContact O-CG 3.39Å; T104-K108 PolarHBondContact O-N 2.98Å
105	S	89.4	Confident	84.4	Confident	63 Å²	63	56.8 Å²	56.8	44%	0.441	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-39.3	175.9	71.1	0	0	0	0	113.1	D101 I102 V103 K108 R109	D101-S105 WeakPolarHBondContact O-CB 3.25Å; D101-S105 PolarHBondContact O-N 2.99Å; D101-S105 PolarHBondContact O-OG 2.92Å; I102-S105 PolarHBondContact O-N 3.17Å; I102-S105 PolarHBondContact O-OG 2.65Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 2.81Å; S105-K108 PolarHBondContact O-N 3.4Å; S105-R109 WeakPolarHBondContact O-CB 3.27Å; S105-R109 PolarHBondContact O-N 3.25Å
106	V	90	Very high	85.7	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-43.8	177.4	169.8	0	0	0	0	109.9	I102 V103 K108 R109 D110 A219 F220 W245 A249	I102-V106 WeakPolarHBondContact O-CG2 3.41Å; I102-V106 PolarHBondContact O-N 3.3Å; V103-V106 PolarHBondContact O-N 3.06Å; V106-K108 PolarHBondContact O-N 3.32Å; V106-R109 WeakPolarHBondContact O-CB 3.21Å; V106-R109 PolarHBondContact O-N 2.99Å; V106-D110 PolarHBondContact O-N 3.05Å; V106-A219 HydrophobicContact CG1-CB 3.64Å; V106-A219 VanDerWaalsContact O-CB 3.23Å; V106-A219 WeakPolarHBondContact O-CB 3.36Å; V106-F220 HydrophobicContact CG1-CE1 3.91Å; V106-F220 HydrophobicContact CG1-CZ 3.94Å; V106-W245 HydrophobicContact CG2-CE3 4.47Å; V106-W245 HydrophobicContact CG2-CH2 4.38Å; V106-W245 HydrophobicContact CG2-CZ3 3.94Å; V106-A249 HydrophobicContact CG2-CB 4.12Å
107	L	92.5	Very high	87	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-36	176.3	-71	-178.3	0	0	0	113.4	I66 W67 F86 V103 T104 D110 V111 L136	I66-L107 HydrophobicContact CD1-CD1 3.98Å; I66-L107 HydrophobicContact CD1-CD2 3.62Å; I66-L107 HydrophobicContact CD1-CG 4.18Å; I66-L107 HydrophobicContact CG1-CD2 4.43Å; W67-L107 HydrophobicContact CH2-CB 4.47Å; W67-L107 HydrophobicContact CH2-CD1 4.36Å; W67-L107 HydrophobicContact CZ2-CB 3.84Å; W67-L107 HydrophobicContact CZ2-CD1 3.92Å; W67-L107 HydrophobicContact CZ2-CD2 3.6Å; W67-L107 HydrophobicContact CZ2-CG 3.99Å; F86-L107 HydrophobicContact CB-CD1 4.24Å; F86-L107 HydrophobicContact CD1-CD1 3.4Å; F86-L107 HydrophobicContact CD2-CD1 4.12Å; F86-L107 HydrophobicContact CE1-CD1 3.65Å; F86-L107 HydrophobicContact CE2-CD1 4.34Å; F86-L107 HydrophobicContact CG-CD1 3.65Å; F86-L107 HydrophobicContact CZ-CD1 4.12Å; V103-L107 HydrophobicContact CG1-CD1 4.13Å; V103-L107 HydrophobicContact CG1-CG 4.4Å; V103-L107 WeakPolarHBondContact O-CG 3.37Å; V103-L107 PolarHBondContact O-N 2.98Å; T104-L107 PolarHBondContact O-N 3.49Å; L107-D110 WeakPolarHBondContact O-CB 3.45Å; L107-D110 PolarHBondContact O-N 3.5Å; L107-V111 PolarHBondContact O-N 3.14Å; L107-L136 HydrophobicContact CB-CD2 3.74Å; L107-L136 HydrophobicContact CD1-CD2 4.3Å
108	K	92.9	Very high	88.3	Confident	78 Å²	78	53.9 Å²	53.9	34%	0.339	24%	0.244	S	C	.	.	H	α-helix	trans	-64.6	-42.1	172.7	-76.2	173.8	176.3	179.9	0	112.1	T104 S105 V106 D110 R112 I129 E131 L136	T104-K108 HydrophobicContact CG2-CD 4.36Å; T104-K108 WeakPolarHBondContact O-CB 3.01Å; T104-K108 VanDerWaalsContact O-CG 3.31Å; T104-K108 WeakPolarHBondContact O-CG 3.39Å; T104-K108 PolarHBondContact O-N 2.98Å; S105-K108 PolarHBondContact O-N 3.4Å; V106-K108 PolarHBondContact O-N 3.32Å; K108-D110 VanDerWaalsContact C-N 3.29Å; K108-D110 PolarHBondContact O-N 2.84Å; K108-R112 PolarHBondContact O-N 3.36Å; K108-R112 VanDerWaalsContact O-N 3.17Å; K108-I129 HydrophobicContact CB-CD1 4.19Å; K108-I129 HydrophobicContact CG-CD1 3.98Å; K108-E131 VanDerWaalsContact CE-OE1 3.28Å; K108-E131 WeakPolarHBondContact CE-OE1 3.49Å; K108-E131 WeakPolarHBondContact CE-OE2 3.5Å; K108-E131 IonicContact NZ-OE1 2.97Å; K108-E131 PolarHBondContact NZ-OE1 3.16Å; K108-E131 IonicContact NZ-OE2 3.63Å; K108-E131 PolarHBondContact NZ-OE2 2.8Å; K108-L136 HydrophobicContact CG-CD1 4.41Å; K108-L136 HydrophobicContact CG-CD2 4.44Å
109	R	91.2	Very high	89.4	Confident	36 Å²	36	44.8 Å²	44.8	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-37.7	174.6	-177.5	167.4	64.6	131.7	-13.4	111.7	S105 V106 R112 L113 A219	S105-R109 WeakPolarHBondContact O-CB 3.27Å; S105-R109 PolarHBondContact O-N 3.25Å; V106-R109 WeakPolarHBondContact O-CB 3.21Å; V106-R109 PolarHBondContact O-N 2.99Å; R109-R112 PolarHBondContact O-N 3.43Å; R109-L113 HydrophobicContact CG-CD1 3.81Å; R109-L113 HydrophobicContact CG-CG 4.19Å; R109-L113 WeakPolarHBondContact O-CG 3.27Å; R109-L113 PolarHBondContact O-N 3.04Å; R109-A219 PolarHBondContact NE-O 2.92Å; R109-A219 PolarHBondContact NH1-O 3.14Å; R109-A219 PolarHBondContact NH2-O 3.13Å
110	D	92.6	Very high	89.9	Confident	5 Å²	5	42 Å²	42	3%	0.027	21%	0.205	C	C	.	.	H	α-helix	trans	-49.7	-61.3	175.2	-161.6	3.4	0	0	0	111.7	V106 L107 K108 R112 L113 L114 S217 A218 A219	V106-D110 PolarHBondContact O-N 3.05Å; L107-D110 WeakPolarHBondContact O-CB 3.45Å; L107-D110 PolarHBondContact O-N 3.5Å; K108-D110 VanDerWaalsContact C-N 3.29Å; K108-D110 PolarHBondContact O-N 2.84Å; D110-R112 VanDerWaalsContact C-N 3.33Å; D110-R112 PolarHBondContact O-N 3.2Å; D110-L113 PolarHBondContact O-N 3.32Å; D110-L114 WeakPolarHBondContact O-CG 3.41Å; D110-L114 PolarHBondContact O-N 3.26Å; D110-S217 WeakPolarHBondContact OD1-CA 3.06Å; D110-S217 PolarHBondContact OD1-N 3.37Å; D110-S217 WeakPolarHBondContact OD2-CA 3.03Å; D110-A218 PolarHBondContact OD1-N 3.26Å; D110-A219 HydrophobicContact CB-CB 3.79Å; D110-A219 PolarHBondContact OD1-N 3.23Å
111	V	93.5	Very high	90.4	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-68.8	-34.4	-175	-174.4	0	0	0	0	111.4	L107 L114 T115 I125 I129 F138	L107-V111 PolarHBondContact O-N 3.14Å; V111-L114 PolarHBondContact O-N 2.95Å; V111-T115 WeakPolarHBondContact O-CB 3.41Å; V111-T115 PolarHBondContact O-N 2.92Å; V111-T115 PolarHBondContact O-OG1 2.88Å; V111-I125 HydrophobicContact CG1-CD1 4.31Å; V111-I125 HydrophobicContact CG1-CG1 4.3Å; V111-I125 HydrophobicContact CG1-CG2 4.06Å; V111-I129 HydrophobicContact CB-CD1 3.61Å; V111-I129 HydrophobicContact CB-CG1 3.71Å; V111-I129 HydrophobicContact CG1-CD1 4.3Å; V111-I129 HydrophobicContact CG1-CG1 3.86Å; V111-I129 HydrophobicContact CG2-CD1 3.63Å; V111-I129 HydrophobicContact CG2-CG1 3.73Å; V111-F138 HydrophobicContact CG1-CB 4.31Å; V111-F138 HydrophobicContact CG1-CD2 4.38Å; V111-F138 HydrophobicContact CG1-CG 4.22Å; V111-F138 HydrophobicContact CG2-CD1 3.53Å; V111-F138 HydrophobicContact CG2-CD2 4.36Å; V111-F138 HydrophobicContact CG2-CE1 3.67Å; V111-F138 HydrophobicContact CG2-CE2 4.49Å; V111-F138 HydrophobicContact CG2-CG 3.9Å; V111-F138 HydrophobicContact CG2-CZ 4.16Å
112	R	92.6	Very high	90.7	Very high	111 Å²	111	34 Å²	34	42%	0.419	17%	0.167	S	C	.	.	H	α-helix	trans	-61	-48.7	175.4	-176.3	178.3	177.1	-173.2	-2	111.4	K108 R109 D110 T115 Q116 E235	K108-R112 PolarHBondContact O-N 3.36Å; K108-R112 VanDerWaalsContact O-N 3.17Å; R109-R112 PolarHBondContact O-N 3.43Å; D110-R112 VanDerWaalsContact C-N 3.33Å; D110-R112 PolarHBondContact O-N 3.2Å; R112-T115 PolarHBondContact O-N 3.07Å; R112-Q116 WeakPolarHBondContact O-CG 3.36Å; R112-Q116 PolarHBondContact O-N 2.98Å; R112-Q116 VanDerWaalsContact O-N 3.12Å; R112-E235 IonicContact CZ-OE1 3.26Å; R112-E235 IonicContact CZ-OE2 2.62Å; R112-E235 IonicContact NH1-OE1 3.62Å; R112-E235 PolarHBondContact NH1-OE1 2.7Å; R112-E235 IonicContact NH1-OE2 3.47Å; R112-E235 PolarHBondContact NH1-OE2 3.38Å; R112-E235 IonicContact NH2-OE1 2.68Å; R112-E235 PolarHBondContact NH2-OE1 2.89Å; R112-E235 IonicContact NH2-OE2 3.37Å; R112-E235 PolarHBondContact NH2-OE2 3.21Å
113	L	92.3	Very high	91.2	Very high	3 Å²	3	32 Å²	32	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-39.6	178.9	-70.8	174.5	0	0	0	111.7	R109 D110 T115 Q116 L117 A218 I221 Y234	R109-L113 HydrophobicContact CG-CD1 3.81Å; R109-L113 HydrophobicContact CG-CG 4.19Å; R109-L113 WeakPolarHBondContact O-CG 3.27Å; R109-L113 PolarHBondContact O-N 3.04Å; D110-L113 PolarHBondContact O-N 3.32Å; L113-T115 PolarHBondContact O-N 3.29Å; L113-Q116 PolarHBondContact O-N 3.4Å; L113-Q116 VanDerWaalsContact O-N 3.13Å; L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 PolarHBondContact O-N 3.25Å; L113-A218 HydrophobicContact CB-CB 3.94Å; L113-A218 VanDerWaalsContact CD1-O 3.22Å; L113-A218 WeakPolarHBondContact CD1-O 3.4Å; L113-I221 HydrophobicContact CD1-CB 4.47Å; L113-Y234 HydrophobicContact CD2-CD1 4.49Å
114	L	93.4	Very high	91.4	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-27.1	173.9	-70.5	172.5	0	0	0	113.4	D110 V111 M122 L123 I125 A218	D110-L114 WeakPolarHBondContact O-CG 3.41Å; D110-L114 PolarHBondContact O-N 3.26Å; V111-L114 PolarHBondContact O-N 2.95Å; L114-M122 HydrophobicContact CD2-CE 4.16Å; L114-M122 HydrophobicContact CD2-CG 3.81Å; L114-M122 HydrophobicContact CD2-SD 3.92Å; L114-L123 HydrophobicContact CD1-CB 4.5Å; L114-L123 HydrophobicContact CD1-CD2 4.23Å; L114-L123 HydrophobicContact CD2-CB 4.4Å; L114-I125 HydrophobicContact CB-CD1 4.19Å; L114-I125 HydrophobicContact CB-CG1 3.78Å; L114-I125 HydrophobicContact CD1-CD1 4.19Å; L114-A218 HydrophobicContact CD2-CB 3.73Å; L114-A218 HydrophobicContact CG-CB 3.77Å
115	T	92	Very high	91.6	Very high	65 Å²	65	37.2 Å²	37.2	40%	0.399	18%	0.182	S	C	.	.	H	α-helix	trans	-80.9	-26.9	175.8	-51.9	0	0	0	0	111.9	V111 R112 L113 H118	V111-T115 WeakPolarHBondContact O-CB 3.41Å; V111-T115 PolarHBondContact O-N 2.92Å; V111-T115 PolarHBondContact O-OG1 2.88Å; R112-T115 PolarHBondContact O-N 3.07Å; L113-T115 PolarHBondContact O-N 3.29Å; T115-H118 PolarHBondContact O-CE1 2.87Å; T115-H118 PolarHBondContact O-NE2 2.88Å
116	Q	90.6	Very high	91.8	Very high	64 Å²	64	36.5 Å²	36.5	30%	0.299	17%	0.172	S	C	.	.	H	α-helix	trans	-88.2	-39.7	-178.6	-71.5	176.1	-18.9	0	0	112.9	R112 L113 Y234	R112-Q116 WeakPolarHBondContact O-CG 3.36Å; R112-Q116 PolarHBondContact O-N 2.98Å; R112-Q116 VanDerWaalsContact O-N 3.12Å; L113-Q116 PolarHBondContact O-N 3.4Å; L113-Q116 VanDerWaalsContact O-N 3.13Å; Q116-Y234 HydrophobicContact CB-CD1 4.13Å; Q116-Y234 HydrophobicContact CB-CE1 4.07Å
117	L	89.6	Confident	92	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	18%	0.178	C	C	.	.			trans	-79.5	128.7	175.5	-70	166.4	0	0	0	107.8	L113 M122 L189 Q193 L195 I221 Y234	L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 PolarHBondContact O-N 3.25Å; L117-M122 HydrophobicContact CB-CE 3.34Å; L117-M122 HydrophobicContact CB-SD 3.83Å; L117-M122 HydrophobicContact CD1-SD 4.37Å; L117-M122 WeakPolarHBondContact O-CE 3.46Å; L117-L189 HydrophobicContact CD1-CD2 4.36Å; L117-Q193 HydrophobicContact CD2-CG 4.25Å; L117-L195 HydrophobicContact CD1-CD1 4.5Å; L117-L195 HydrophobicContact CD2-CD1 4.1Å; L117-I221 HydrophobicContact CD1-CD1 3.53Å; L117-Y234 HydrophobicContact CD2-CE1 3.84Å; L117-Y234 HydrophobicContact CD2-CE2 4.05Å; L117-Y234 WeakPolarHBondContact CD2-OH 3.46Å; L117-Y234 HydrophobicContact CG-CE1 4.15Å
118	H	85.6	Confident	92.1	Very high	140 Å²	140	41.6 Å²	41.6	65%	0.648	20%	0.203	S	C	*	.			trans	-120	113.2	178.1	-66.5	-50.6	0	0	0	109.5	T115	T115-H118 PolarHBondContact O-CE1 2.87Å; T115-H118 PolarHBondContact O-NE2 2.88Å
119	H	89.8	Confident	92.2	Very high	37 Å²	37	39.9 Å²	39.9	17%	0.171	20%	0.197	C	C	.	.			trans	-150.2	140.8	175.3	-174.5	-92	0	0	0	110	N121 M122 L185 F188	H119-N121 PolarHBondContact ND1-N 3.46Å; H119-N121 PolarHBondContact O-N 2.96Å; H119-N121 VanDerWaalsContact O-N 3.16Å; H119-M122 HydrophobicContact CB-CB 4.18Å; H119-M122 PolarHBondContact O-N 3.01Å; H119-L185 HydrophobicContact CB-CD1 3.85Å; H119-L185 WeakPolarHBondContact ND1-CD1 3.49Å; H119-F188 HydrophobicContact CB-CD1 4Å; H119-F188 HydrophobicContact CB-CE1 4.01Å; H119-F188 AromaticContact CD2-CD1 3.78Å; H119-F188 AromaticContact CD2-CD2 3.95Å; H119-F188 AromaticContact CD2-CG 3.5Å; H119-F188 VanDerWaalsContact CD2-CG 3.5Å; H119-F188 WeakPolarHBondContact CD2-CG 3.31Å
120	P	86.7	Confident	92.4	Very high	30 Å²	30	40.2 Å²	40.2	20%	0.195	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.8	-177.5	-28.7	36.1	0	0	0	115.3	R214 N484 V487	P120-R214 PolarHBondContact O-NE 3.05Å; P120-R214 PolarHBondContact O-NH1 3.16Å; P120-R214 PolarHBondContact O-NH2 2.97Å; P120-N484 HydrophobicContact CB-CB 4.37Å; P120-V487 HydrophobicContact CG-CB 3.97Å; P120-V487 HydrophobicContact CG-CG1 3.6Å; P120-V487 HydrophobicContact CG-CG2 4.13Å
121	N	92.5	Very high	92.4	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.027	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	13	-179	-57.6	-27.2	0	0	0	113.5	H119 Q181 L185 R214 L215	H119-N121 PolarHBondContact ND1-N 3.46Å; H119-N121 PolarHBondContact O-N 2.96Å; H119-N121 VanDerWaalsContact O-N 3.16Å; N121-Q181 HydrophobicContact CB-CB 4.26Å; N121-Q181 WeakPolarHBondContact ND2-CA 2.92Å; N121-Q181 PolarHBondContact ND2-O 3.15Å; N121-Q181 VanDerWaalsContact ND2-O 3.15Å; N121-L185 HydrophobicContact CB-CB 4.24Å; N121-R214 WeakPolarHBondContact O-CA 3.44Å; N121-L215 PolarHBondContact O-N 2.95Å; N121-L215 VanDerWaalsContact O-N 3.13Å
122	M	93.2	Very high	92.3	Very high	9 Å²	9	45.4 Å²	45.4	4%	0.044	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-105.8	152.2	172.9	-158	179	62.3	0	0	109.8	L114 L117 H119 H124 L185 R214 L215	L114-M122 HydrophobicContact CD2-CE 4.16Å; L114-M122 HydrophobicContact CD2-CG 3.81Å; L114-M122 HydrophobicContact CD2-SD 3.92Å; L117-M122 HydrophobicContact CB-CE 3.34Å; L117-M122 HydrophobicContact CB-SD 3.83Å; L117-M122 HydrophobicContact CD1-SD 4.37Å; L117-M122 WeakPolarHBondContact O-CE 3.46Å; H119-M122 HydrophobicContact CB-CB 4.18Å; H119-M122 PolarHBondContact O-N 3.01Å; M122-H124 PolarHBondContact O-N 3.22Å; M122-H124 VanDerWaalsContact O-N 3.16Å; M122-L185 HydrophobicContact CB-CD1 4.03Å; M122-L185 HydrophobicContact CB-CD2 4.35Å; M122-L185 HydrophobicContact CG-CD1 4.47Å; M122-L185 HydrophobicContact CG-CD2 4.46Å; M122-R214 PolarHBondContact O-NH1 3.44Å; M122-L215 VanDerWaalsContact CG-O 3.29Å; M122-L215 WeakPolarHBondContact CG-O 3.41Å
123	L	95.2	Very high	92.1	Very high	5 Å²	5	45 Å²	45	3%	0.026	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-59.6	119.8	-175.9	-178.6	64.8	0	0	0	111.6	F84 L114 I125 F138 E141 I143 L206 R214 L215	F84-L123 HydrophobicContact CZ-CD2 4.24Å; L114-L123 HydrophobicContact CD1-CB 4.5Å; L114-L123 HydrophobicContact CD1-CD2 4.23Å; L114-L123 HydrophobicContact CD2-CB 4.4Å; L123-I125 HydrophobicContact CD2-CD1 4.17Å; L123-I125 HydrophobicContact CG-CD1 4.28Å; L123-I125 PolarHBondContact O-N 3.25Å; L123-F138 HydrophobicContact CD2-CE2 4.4Å; L123-E141 HydrophobicContact CD1-CG 4.23Å; L123-I143 HydrophobicContact CD1-CD1 3.76Å; L123-I143 HydrophobicContact CD1-CG1 4.28Å; L123-L206 HydrophobicContact CD1-CD1 3.87Å; L123-L206 HydrophobicContact CD2-CD1 3.75Å; L123-L206 HydrophobicContact CG-CD1 4.34Å; L123-R214 HydrophobicContact CB-CB 4.44Å; L123-R214 HydrophobicContact CD1-CB 4.46Å; L123-L215 PolarHBondContact N-O 3.31Å
124	H	93	Very high	92	Very high	97 Å²	97	50.6 Å²	50.6	45%	0.449	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-84	116.7	179.9	-174.1	60.8	0	0	0	111.7	M122 S140 E141	M122-H124 PolarHBondContact O-N 3.22Å; M122-H124 VanDerWaalsContact O-N 3.16Å; H124-S140 CarbonylContact O-C 3.56Å; H124-S140 WeakPolarHBondContact O-CA 3.22Å; H124-S140 VanDerWaalsContact O-CB 3.24Å; H124-S140 WeakPolarHBondContact O-CB 3.24Å; H124-E141 HydrophobicContact CB-CB 4.44Å; H124-E141 HydrophobicContact CB-CG 4.48Å; H124-E141 PolarHBondContact N-OE1 3.22Å; H124-E141 PolarHBondContact O-N 3.46Å
125	I	95.2	Very high	92	Very high	20 Å²	20	50.5 Å²	50.5	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.9	178.9	-54.6	-57.9	0	0	0	110.1	V111 L114 L123 H127 F138	V111-I125 HydrophobicContact CG1-CD1 4.31Å; V111-I125 HydrophobicContact CG1-CG1 4.3Å; V111-I125 HydrophobicContact CG1-CG2 4.06Å; L114-I125 HydrophobicContact CB-CD1 4.19Å; L114-I125 HydrophobicContact CB-CG1 3.78Å; L114-I125 HydrophobicContact CD1-CD1 4.19Å; L123-I125 HydrophobicContact CD2-CD1 4.17Å; L123-I125 HydrophobicContact CG-CD1 4.28Å; L123-I125 PolarHBondContact O-N 3.25Å; I125-H127 WeakPolarHBondContact CG2-O 3.2Å; I125-F138 HydrophobicContact CD1-CD2 3.83Å; I125-F138 HydrophobicContact CD1-CE2 3.61Å
126	L	93.9	Very high	92.1	Very high	47 Å²	47	47.4 Å²	47.4	25%	0.246	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-31	178.7	-65.5	-179.5	0	0	0	112.9	L79 C81 A139 S140	L79-L126 HydrophobicContact CD2-CD1 3.99Å; C81-L126 HydrophobicContact CB-CD1 3.76Å; L126-A139 PolarHBondContact N-O 3.47Å; L126-S140 WeakPolarHBondContact CD1-O 3.15Å
127	H	94.8	Very high	92.4	Very high	31 Å²	31	44.4 Å²	44.4	14%	0.144	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	130.9	178	-169.1	-72.8	0	0	0	109.3	Y51 F52 I125 E130 A139	Y51-H127 AromaticContact CD2-NE2 3.45Å; Y51-H127 WeakPolarHBondContact CD2-NE2 3.46Å; Y51-H127 AromaticContact CE2-NE2 3.51Å; F52-H127 HydrophobicContact CE2-CB 3.78Å; F52-H127 AromaticContact CE2-CD2 3.93Å; F52-H127 AromaticContact CE2-CG 3.9Å; F52-H127 HydrophobicContact CZ-CB 3.79Å; I125-H127 WeakPolarHBondContact CG2-O 3.2Å; H127-E130 IonicContact CE1-OE1 2.72Å; H127-E130 PolarHBondContact CE1-OE1 3.42Å; H127-E130 VanDerWaalsContact CE1-OE1 3.32Å; H127-E130 IonicContact NE2-OE1 3.43Å; H127-A139 HydrophobicContact CB-CB 3.84Å; H127-A139 PolarHBondContact N-O 3.16Å; H127-A139 VanDerWaalsContact N-O 3.1Å; H127-A139 PolarHBondContact O-N 3.47Å
128	P	93.8	Very high	92.7	Very high	81 Å²	81	44.4 Å²	44.4	53%	0.526	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-179.5	179.4	30.7	-36.9	0	0	0	111.8	E130	P128-E130 PolarHBondContact O-N 2.86Å
129	I	94.7	Very high	93.3	Very high	42 Å²	42	37.8 Å²	37.8	22%	0.215	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.4	-176.8	-70.5	177.5	0	0	0	112.2	K108 V111 E131 L136 S137 F138	K108-I129 HydrophobicContact CB-CD1 4.19Å; K108-I129 HydrophobicContact CG-CD1 3.98Å; V111-I129 HydrophobicContact CB-CD1 3.61Å; V111-I129 HydrophobicContact CB-CG1 3.71Å; V111-I129 HydrophobicContact CG1-CD1 4.3Å; V111-I129 HydrophobicContact CG1-CG1 3.86Å; V111-I129 HydrophobicContact CG2-CD1 3.63Å; V111-I129 HydrophobicContact CG2-CG1 3.73Å; I129-E131 HydrophobicContact CG2-CB 4.42Å; I129-L136 HydrophobicContact CD1-CD2 4.47Å; I129-L136 HydrophobicContact CG2-CD1 3.26Å; I129-L136 HydrophobicContact CG2-CG 3.89Å; I129-S137 CarbonylContact C-O 3.08Å; I129-S137 VanDerWaalsContact CA-O 3.31Å; I129-S137 WeakPolarHBondContact CA-O 3.26Å; I129-F138 HydrophobicContact CG1-CB 4.27Å
130	E	94.7	Very high	93.6	Very high	44 Å²	44	36 Å²	36	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.3	163.2	-70.4	-67.7	173.6	0	0	109.4	N46 P47 I48 H127 P128 S137	N46-E130 PolarHBondContact ND2-O 3.36Å; N46-E130 WeakPolarHBondContact OD1-CB 3.45Å; P47-E130 HydrophobicContact CB-CB 4.42Å; P47-E130 HydrophobicContact CB-CG 4.39Å; I48-E130 HydrophobicContact CB-CB 4.32Å; I48-E130 HydrophobicContact CB-CG 4.3Å; H127-E130 IonicContact CE1-OE1 2.72Å; H127-E130 PolarHBondContact CE1-OE1 3.42Å; H127-E130 VanDerWaalsContact CE1-OE1 3.32Å; H127-E130 IonicContact NE2-OE1 3.43Å; P128-E130 PolarHBondContact O-N 2.86Å; E130-S137 PolarHBondContact N-O 3.32Å; E130-S137 PolarHBondContact O-N 3.03Å
131	E	93.1	Very high	93.9	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.379	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136	-175.7	-176.2	177.6	-153.9	0	0	111.9	K88 K108 I129 L136	K88-E131 IonicContact NZ-OE1 2.76Å; K88-E131 PolarHBondContact NZ-OE1 3.14Å; K108-E131 VanDerWaalsContact CE-OE1 3.28Å; K108-E131 WeakPolarHBondContact CE-OE1 3.49Å; K108-E131 WeakPolarHBondContact CE-OE2 3.5Å; K108-E131 IonicContact NZ-OE1 2.97Å; K108-E131 PolarHBondContact NZ-OE1 3.16Å; K108-E131 IonicContact NZ-OE2 3.63Å; K108-E131 PolarHBondContact NZ-OE2 2.8Å; I129-E131 HydrophobicContact CG2-CB 4.42Å; E131-L136 HydrophobicContact CB-CD1 3.8Å; E131-L136 HydrophobicContact CG-CD1 3.87Å
132	T	92.2	Very high	94.1	Very high	34 Å²	34	40.1 Å²	40.1	21%	0.209	21%	0.207	C	C	.	.			trans	-119.3	178.3	165.3	66.7	0	0	0	0	110	P47 K88 E134 T135	P47-T132 VanDerWaalsContact CD-CG2 3.41Å; P47-T132 HydrophobicContact CG-CG2 4.23Å; K88-T132 PolarHBondContact NZ-O 3.5Å; T132-E134 PolarHBondContact O-N 3.27Å; T132-E134 PolarHBondContact OG1-N 3.33Å; T132-T135 PolarHBondContact N-O 3.34Å; T132-T135 PolarHBondContact OG1-N 3.41Å; T132-T135 PolarHBondContact OG1-O 3.02Å; T132-T135 PolarHBondContact OG1-OG1 3.32Å
133	S	88.1	Confident	94.2	Very high	102 Å²	102	39.7 Å²	39.7	71%	0.713	21%	0.205	S	C	*	.	S	Bend	trans	-58.3	-28.5	172.7	47.5	0	0	0	0	112.9	K88	K88-S133 WeakPolarHBondContact CD-O 3.48Å
134	E	89.6	Confident	94.1	Very high	122 Å²	122	42.3 Å²	42.3	57%	0.57	22%	0.216	S	C	*	.	S	Bend	trans	-111.2	-27.2	-171.9	-64.7	179.4	-175.7	0	0	113.7	K88 T132	K88-E134 VanDerWaalsContact CB-O 3.22Å; K88-E134 WeakPolarHBondContact CB-O 3.35Å; K88-E134 WeakPolarHBondContact CG-O 3.37Å; K88-E134 PolarHBondContact N-O 2.83Å; T132-E134 PolarHBondContact O-N 3.27Å; T132-E134 PolarHBondContact OG1-N 3.33Å
135	T	93.6	Very high	94.1	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.3	-171.6	62.8	0	0	0	0	113	P44 N46 L85 F86 T132	P44-T135 HydrophobicContact CB-CG2 3.95Å; P44-T135 HydrophobicContact CG-CG2 3.79Å; N46-T135 PolarHBondContact ND2-OG1 2.95Å; L85-T135 HydrophobicContact CD1-CG2 4.01Å; F86-T135 CarbonylContact O-C 3.48Å; F86-T135 VanDerWaalsContact O-CA 3.31Å; F86-T135 WeakPolarHBondContact O-CA 3.37Å; T132-T135 PolarHBondContact N-O 3.34Å; T132-T135 PolarHBondContact OG1-N 3.41Å; T132-T135 PolarHBondContact OG1-O 3.02Å; T132-T135 PolarHBondContact OG1-OG1 3.32Å
136	L	94.7	Very high	94.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.3	168.2	-163	70.4	0	0	0	107.4	W67 F86 L107 K108 I129 E131	W67-L136 HydrophobicContact CH2-CB 4.28Å; W67-L136 HydrophobicContact CH2-CD2 3.64Å; W67-L136 HydrophobicContact CH2-CG 4Å; W67-L136 HydrophobicContact CZ2-CD2 4.29Å; W67-L136 HydrophobicContact CZ3-CB 4.43Å; F86-L136 HydrophobicContact CB-CB 4.22Å; F86-L136 HydrophobicContact CD1-CB 4Å; F86-L136 HydrophobicContact CD1-CD2 4.49Å; F86-L136 PolarHBondContact N-O 3.22Å; F86-L136 PolarHBondContact O-N 2.9Å; L107-L136 HydrophobicContact CB-CD2 3.74Å; L107-L136 HydrophobicContact CD1-CD2 4.3Å; K108-L136 HydrophobicContact CG-CD1 4.41Å; K108-L136 HydrophobicContact CG-CD2 4.44Å; I129-L136 HydrophobicContact CD1-CD2 4.47Å; I129-L136 HydrophobicContact CG2-CD1 3.26Å; I129-L136 HydrophobicContact CG2-CG 3.89Å; E131-L136 HydrophobicContact CB-CD1 3.8Å; E131-L136 HydrophobicContact CG-CD1 3.87Å
137	S	95.9	Very high	94	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.8	179.2	-56.8	0	0	0	0	113.1	N46 F84 L85 I129 E130	N46-S137 PolarHBondContact ND2-OG 2.92Å; F84-S137 WeakPolarHBondContact O-CA 3.44Å; F84-S137 WeakPolarHBondContact O-CB 3.5Å; L85-S137 WeakPolarHBondContact CD1-OG 3.44Å; I129-S137 CarbonylContact C-O 3.08Å; I129-S137 VanDerWaalsContact CA-O 3.31Å; I129-S137 WeakPolarHBondContact CA-O 3.26Å; E130-S137 PolarHBondContact N-O 3.32Å; E130-S137 PolarHBondContact O-N 3.03Å
138	F	97.1	Very high	93.8	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	169.2	172.2	70.5	-89.7	0	0	0	109.6	W67 V83 F84 V111 L123 I125 I129	W67-F138 HydrophobicContact CD2-CE1 4.13Å; W67-F138 AromaticContact CE2-CE1 3.94Å; W67-F138 HydrophobicContact CE3-CE1 4.1Å; W67-F138 AromaticContact CH2-CD1 3.82Å; W67-F138 HydrophobicContact CH2-CD1 3.82Å; W67-F138 AromaticContact CH2-CE1 3.72Å; W67-F138 HydrophobicContact CH2-CE1 3.72Å; W67-F138 HydrophobicContact CZ2-CD1 4.25Å; W67-F138 AromaticContact CZ2-CE1 3.74Å; W67-F138 HydrophobicContact CZ2-CE1 3.74Å; W67-F138 HydrophobicContact CZ3-CD1 4Å; W67-F138 AromaticContact CZ3-CE1 3.9Å; W67-F138 HydrophobicContact CZ3-CE1 3.9Å; V83-F138 WeakPolarHBondContact CA-O 3.42Å; F84-F138 HydrophobicContact CB-CD1 3.74Å; F84-F138 HydrophobicContact CB-CD2 4.34Å; F84-F138 HydrophobicContact CB-CE1 3.35Å; F84-F138 HydrophobicContact CB-CE2 3.99Å; F84-F138 HydrophobicContact CB-CG 4.23Å; F84-F138 HydrophobicContact CB-CZ 3.5Å; F84-F138 VanDerWaalsContact CB-CZ 3.5Å; F84-F138 HydrophobicContact CD1-CE1 4.01Å; F84-F138 HydrophobicContact CD1-CE2 4.15Å; F84-F138 AromaticContact CD1-CZ 3.45Å; F84-F138 HydrophobicContact CD1-CZ 3.45Å; F84-F138 VanDerWaalsContact CD1-CZ 3.45Å; F84-F138 HydrophobicContact CD2-CD2 4.35Å; F84-F138 AromaticContact CD2-CE2 3.73Å; F84-F138 HydrophobicContact CD2-CE2 3.73Å; F84-F138 AromaticContact CD2-CZ 3.86Å; F84-F138 HydrophobicContact CD2-CZ 3.86Å; F84-F138 HydrophobicContact CE1-CZ 4.1Å; F84-F138 HydrophobicContact CE2-CE2 4.29Å; F84-F138 HydrophobicContact CG-CD1 4.46Å; F84-F138 HydrophobicContact CG-CD2 4.42Å; F84-F138 AromaticContact CG-CE1 3.76Å; F84-F138 HydrophobicContact CG-CE1 3.76Å; F84-F138 AromaticContact CG-CE2 3.69Å; F84-F138 HydrophobicContact CG-CE2 3.69Å; F84-F138 AromaticContact CG-CZ 3.32Å; F84-F138 HydrophobicContact CG-CZ 3.32Å; F84-F138 PolarHBondContact N-O 3.26Å; F84-F138 PolarHBondContact O-N 2.95Å; F84-F138 VanDerWaalsContact O-N 3.16Å; V111-F138 HydrophobicContact CG1-CB 4.31Å; V111-F138 HydrophobicContact CG1-CD2 4.38Å; V111-F138 HydrophobicContact CG1-CG 4.22Å; V111-F138 HydrophobicContact CG2-CD1 3.53Å; V111-F138 HydrophobicContact CG2-CD2 4.36Å; V111-F138 HydrophobicContact CG2-CE1 3.67Å; V111-F138 HydrophobicContact CG2-CE2 4.49Å; V111-F138 HydrophobicContact CG2-CG 3.9Å; V111-F138 HydrophobicContact CG2-CZ 4.16Å; L123-F138 HydrophobicContact CD2-CE2 4.4Å; I125-F138 HydrophobicContact CD1-CD2 3.83Å; I125-F138 HydrophobicContact CD1-CE2 3.61Å; I129-F138 HydrophobicContact CG1-CB 4.27Å
139	A	96.9	Very high	93.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142	177.3	0	0	0	0	0	111.9	I48 F52 S82 V83 L126 H127	I48-A139 HydrophobicContact CD1-CB 4.49Å; F52-A139 HydrophobicContact CD1-CB 4.5Å; F52-A139 HydrophobicContact CD2-CB 4.39Å; F52-A139 HydrophobicContact CE1-CB 3.87Å; F52-A139 HydrophobicContact CE2-CB 3.76Å; F52-A139 HydrophobicContact CZ-CB 3.47Å; F52-A139 VanDerWaalsContact CZ-CB 3.47Å; S82-A139 CarbonylContact O-C 3.59Å; S82-A139 VanDerWaalsContact O-CA 3.32Å; S82-A139 WeakPolarHBondContact O-CA 3.24Å; V83-A139 HydrophobicContact CG2-CB 4.17Å; L126-A139 PolarHBondContact N-O 3.47Å; H127-A139 HydrophobicContact CB-CB 3.84Å; H127-A139 PolarHBondContact N-O 3.16Å; H127-A139 VanDerWaalsContact N-O 3.1Å; H127-A139 PolarHBondContact O-N 3.47Å
140	S	96.5	Very high	93.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	179.2	175.9	74.8	0	0	0	0	111.5	C81 S82 F84 H124 L126	C81-S140 VanDerWaalsContact CB-O 3.32Å; C81-S140 WeakPolarHBondContact CB-O 3.4Å; S82-S140 PolarHBondContact N-O 2.91Å; S82-S140 VanDerWaalsContact N-O 3.1Å; S82-S140 PolarHBondContact O-N 3.05Å; F84-S140 WeakPolarHBondContact CE2-OG 3.44Å; H124-S140 CarbonylContact O-C 3.56Å; H124-S140 WeakPolarHBondContact O-CA 3.22Å; H124-S140 VanDerWaalsContact O-CB 3.24Å; H124-S140 WeakPolarHBondContact O-CB 3.24Å; L126-S140 WeakPolarHBondContact CD1-O 3.15Å
141	E	94.3	Very high	92.8	Very high	28 Å²	28	26.3 Å²	26.3	13%	0.131	13%	0.133	C	C	.	.	S	Bend	trans	-49.1	161.2	162.3	70.7	-172.6	125.5	0	0	112.5	L123 H124 I143 T208 R214	L123-E141 HydrophobicContact CD1-CG 4.23Å; H124-E141 HydrophobicContact CB-CB 4.44Å; H124-E141 HydrophobicContact CB-CG 4.48Å; H124-E141 PolarHBondContact N-OE1 3.22Å; H124-E141 PolarHBondContact O-N 3.46Å; E141-I143 HydrophobicContact CG-CD1 4.01Å; E141-I143 PolarHBondContact O-N 3.08Å; E141-I143 VanDerWaalsContact O-N 3.12Å; E141-T208 HydrophobicContact CG-CG2 4.33Å; E141-R214 VanDerWaalsContact CD-NH1 3.29Å; E141-R214 WeakPolarHBondContact OE1-CD 3.23Å; E141-R214 WeakPolarHBondContact OE1-CG 3.44Å; E141-R214 IonicContact OE1-CZ 2.73Å; E141-R214 VanDerWaalsContact OE1-CZ 3.25Å; E141-R214 IonicContact OE1-NE 3.44Å; E141-R214 PolarHBondContact OE1-NE 3.36Å; E141-R214 IonicContact OE1-NH1 3.95Å; E141-R214 PolarHBondContact OE1-NH1 2.97Å; E141-R214 IonicContact OE2-CZ 2.66Å; E141-R214 IonicContact OE2-NE 2.82Å; E141-R214 PolarHBondContact OE2-NE 3.35Å; E141-R214 IonicContact OE2-NH1 2.66Å; E141-R214 PolarHBondContact OE2-NH1 3.36Å; E141-R214 VanDerWaalsContact OE2-NH1 3.15Å; E141-R214 IonicContact OE2-NH2 2.78Å; E141-R214 PolarHBondContact OE2-NH2 3.18Å
142	R	95.6	Very high	92.2	Very high	94 Å²	94	22.8 Å²	22.8	36%	0.355	12%	0.118	S	C	.	.			trans	-70.5	109.1	-174.5	-154.3	-165.6	-175.2	176.1	0.6	112.2	D71 P80 T208 H209	D71-R142 IonicContact OD1-CZ 3.92Å; D71-R142 IonicContact OD1-NE 3.85Å; D71-R142 PolarHBondContact OD1-NE 3.4Å; D71-R142 VanDerWaalsContact OD1-NE 3.16Å; D71-R142 IonicContact OD1-NH2 3.78Å; D71-R142 PolarHBondContact OD1-NH2 2.76Å; D71-R142 IonicContact OD2-NH2 2.87Å; P80-R142 HydrophobicContact CB-CG 4.39Å; R142-T208 WeakPolarHBondContact O-CA 3.49Å; R142-T208 WeakPolarHBondContact O-CB 3.49Å; R142-H209 VanDerWaalsContact CD-CD2 3.44Å; R142-H209 WeakPolarHBondContact CD-CD2 3.44Å; R142-H209 PolarHBondContact O-N 3.11Å
143	I	95.8	Very high	91.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	142.2	177.3	-58.3	-50.4	0	0	0	110.1	I58 V69 S82 F84 L123 E141 L206 T208 H209	I58-I143 WeakPolarHBondContact CD1-O 3.44Å; V69-I143 HydrophobicContact CG1-CB 4.42Å; S82-I143 PolarHBondContact OG-N 2.88Å; F84-I143 HydrophobicContact CE2-CG1 4.34Å; F84-I143 HydrophobicContact CZ-CG1 4.09Å; L123-I143 HydrophobicContact CD1-CD1 3.76Å; L123-I143 HydrophobicContact CD1-CG1 4.28Å; E141-I143 HydrophobicContact CG-CD1 4.01Å; E141-I143 PolarHBondContact O-N 3.08Å; E141-I143 VanDerWaalsContact O-N 3.12Å; I143-L206 HydrophobicContact CD1-CB 4.19Å; I143-L206 HydrophobicContact CD1-CD1 4.46Å; I143-L206 HydrophobicContact CG1-CD1 4.41Å; I143-L206 HydrophobicContact CG2-CB 4.25Å; I143-L206 HydrophobicContact CG2-CD2 4.41Å; I143-T208 HydrophobicContact CD1-CG2 4.1Å; I143-H209 PolarHBondContact O-CD2 3.32Å; I143-H209 VanDerWaalsContact O-CD2 3.23Å; I143-H209 PolarHBondContact O-NE2 3.48Å
144	F	93.1	Very high	91.5	Very high	59 Å²	59	19.7 Å²	19.7	26%	0.259	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-55.3	169.8	171.4	-107.4	0	0	0	110.9	I150 L165 F168 I207	F144-I150 HydrophobicContact CE1-CD1 4.45Å; F144-L165 HydrophobicContact CE1-CD2 4.48Å; F144-F168 AromaticContact CE1-CD2 3.75Å; F144-F168 HydrophobicContact CE1-CD2 3.75Å; F144-F168 AromaticContact CE1-CE2 3.81Å; F144-F168 HydrophobicContact CE1-CE2 3.81Å; F144-F168 HydrophobicContact CE1-CG 4.36Å; F144-F168 HydrophobicContact CE1-CZ 4.47Å; F144-F168 AromaticContact CZ-CD2 3.93Å; F144-F168 HydrophobicContact CZ-CD2 3.93Å; F144-F168 HydrophobicContact CZ-CE2 4.28Å; F144-I207 WeakPolarHBondContact CA-O 3.33Å; F144-I207 WeakPolarHBondContact CB-O 3.37Å; F144-I207 PolarHBondContact N-O 3.21Å
145	S	93.2	Very high	91.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	164.8	-178.8	-178.3	0	0	0	0	111.8	I207	S145-I207 PolarHBondContact N-O 3.48Å; S145-I207 PolarHBondContact O-N 2.72Å
146	S	94.4	Very high	90.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	155.3	160.8	72.8	0	0	0	0	111.2	S60 A148 N149 I150 I205	S60-S146 VanDerWaalsContact O-CB 3.3Å; S60-S146 WeakPolarHBondContact O-CB 3.42Å; S60-S146 PolarHBondContact O-OG 3.43Å; S146-A148 VanDerWaalsContact C-N 3.29Å; S146-A148 PolarHBondContact O-N 3.33Å; S146-N149 PolarHBondContact O-N 3.19Å; S146-N149 PolarHBondContact OG-N 3.32Å; S146-N149 VanDerWaalsContact OG-N 3.16Å; S146-N149 PolarHBondContact OG-OD1 3.36Å; S146-I150 PolarHBondContact O-N 2.91Å; S146-I205 WeakPolarHBondContact CA-O 3.28Å
147	L	92.7	Very high	90.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.3	-36.1	174.8	-178.9	61.2	0	0	0	111.1	N149 I150 L151 F170 P202 I205 W213 I324 L328	L147-N149 VanDerWaalsContact C-N 3.32Å; L147-N149 PolarHBondContact O-N 3.31Å; L147-I150 PolarHBondContact O-N 2.94Å; L147-L151 HydrophobicContact CD1-CD1 4.11Å; L147-L151 HydrophobicContact CD1-CD2 4.43Å; L147-L151 HydrophobicContact CD1-CG 3.96Å; L147-L151 HydrophobicContact CD2-CD1 4.35Å; L147-L151 HydrophobicContact CG-CD1 3.82Å; L147-L151 HydrophobicContact CG-CG 4.13Å; L147-L151 WeakPolarHBondContact O-CB 3.31Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.01Å; L147-F170 HydrophobicContact CD1-CE2 3.93Å; L147-F170 HydrophobicContact CD1-CZ 4.03Å; L147-P202 HydrophobicContact CB-CB 4.35Å; L147-P202 HydrophobicContact CD2-CB 4.41Å; L147-P202 HydrophobicContact CG-CB 4.2Å; L147-P202 PolarHBondContact N-O 3.4Å; L147-I205 HydrophobicContact CB-CB 3.96Å; L147-I205 HydrophobicContact CB-CG2 3.98Å; L147-I205 HydrophobicContact CD2-CB 4.22Å; L147-I205 HydrophobicContact CD2-CD1 3.88Å; L147-I205 HydrophobicContact CD2-CG2 4.13Å; L147-I205 PolarHBondContact N-O 3Å; L147-W213 HydrophobicContact CD1-CH2 4.31Å; L147-W213 HydrophobicContact CD2-CH2 4.27Å; L147-W213 HydrophobicContact CD2-CZ3 3.98Å; L147-I324 HydrophobicContact CD2-CG2 4Å; L147-L328 HydrophobicContact CD1-CD2 3.69Å; L147-L328 HydrophobicContact CD2-CD2 4.19Å
148	A	90.5	Very high	89.6	Confident	5 Å²	5	25.1 Å²	25.1	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-56	-45.1	173.5	0	0	0	0	0	112.2	L65 S146 L151 G152 N153 P202	L65-A148 HydrophobicContact CD2-CB 3.92Å; S146-A148 VanDerWaalsContact C-N 3.29Å; S146-A148 PolarHBondContact O-N 3.33Å; A148-L151 PolarHBondContact O-N 2.99Å; A148-G152 PolarHBondContact O-N 3.26Å; A148-G152 VanDerWaalsContact O-N 3.14Å; A148-N153 HydrophobicContact CB-CB 4.36Å; A148-N153 WeakPolarHBondContact O-CB 3.48Å; A148-N153 PolarHBondContact O-N 3.46Å; A148-P202 HydrophobicContact CB-CB 3.94Å; A148-P202 WeakPolarHBondContact CB-O 3.35Å; A148-P202 PolarHBondContact N-O 3.37Å
149	N	91.1	Very high	88.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-41.4	178.6	-59.7	153.7	0	0	0	112.1	A59 S60 S146 L147 L151 G152 N153 H154 L157 L165	A59-N149 WeakPolarHBondContact CA-OD1 3.46Å; S60-N149 PolarHBondContact N-OD1 3.23Å; S60-N149 PolarHBondContact O-ND2 3.14Å; S60-N149 PolarHBondContact O-OD1 3.31Å; S60-N149 PolarHBondContact OG-ND2 3.5Å; S146-N149 PolarHBondContact O-N 3.19Å; S146-N149 PolarHBondContact OG-N 3.32Å; S146-N149 VanDerWaalsContact OG-N 3.16Å; S146-N149 PolarHBondContact OG-OD1 3.36Å; L147-N149 VanDerWaalsContact C-N 3.32Å; L147-N149 PolarHBondContact O-N 3.31Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-G152 PolarHBondContact O-N 3.49Å; N149-G152 VanDerWaalsContact O-N 3.16Å; N149-N153 WeakPolarHBondContact CA-O 3.14Å; N149-N153 PolarHBondContact ND2-O 3.02Å; N149-H154 PolarHBondContact O-CE1 3.4Å; N149-H154 PolarHBondContact O-ND1 3.24Å; N149-L157 HydrophobicContact CB-CD1 4.03Å; N149-L165 HydrophobicContact CB-CD1 3.88Å
150	I	87.8	Confident	87.7	Confident	15 Å²	15	35.1 Å²	35.1	8%	0.077	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-40.3	177.5	-70.7	162.8	0	0	0	111.2	F144 S146 L147 G152 L165 F168 F170 I207 A335	F144-I150 HydrophobicContact CE1-CD1 4.45Å; S146-I150 PolarHBondContact O-N 2.91Å; L147-I150 PolarHBondContact O-N 2.94Å; I150-G152 PolarHBondContact O-N 3.12Å; I150-L165 HydrophobicContact CG1-CD2 4.32Å; I150-F168 HydrophobicContact CD1-CD1 4.19Å; I150-F168 HydrophobicContact CD1-CE1 4Å; I150-F168 HydrophobicContact CG1-CD1 4.19Å; I150-F168 HydrophobicContact CG1-CE1 4.49Å; I150-F168 HydrophobicContact CG2-CD1 3.66Å; I150-F168 HydrophobicContact CG2-CE1 4.04Å; I150-F170 HydrophobicContact CD1-CZ 3.98Å; I150-F170 HydrophobicContact CG2-CD2 4.42Å; I150-F170 HydrophobicContact CG2-CE2 3.58Å; I150-F170 HydrophobicContact CG2-CZ 4.01Å; I150-I207 HydrophobicContact CD1-CD1 3.68Å; I150-A335 WeakPolarHBondContact O-CB 3.43Å
151	L	83.5	Confident	86.9	Confident	7 Å²	7	35.5 Å²	35.5	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-72.7	-11	177.7	-65.3	176.5	0	0	0	112.6	L147 A148 N149 P202 A327 L328 N331 S338	L147-L151 HydrophobicContact CD1-CD1 4.11Å; L147-L151 HydrophobicContact CD1-CD2 4.43Å; L147-L151 HydrophobicContact CD1-CG 3.96Å; L147-L151 HydrophobicContact CD2-CD1 4.35Å; L147-L151 HydrophobicContact CG-CD1 3.82Å; L147-L151 HydrophobicContact CG-CG 4.13Å; L147-L151 WeakPolarHBondContact O-CB 3.31Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.01Å; A148-L151 PolarHBondContact O-N 2.99Å; N149-L151 VanDerWaalsContact C-N 3.34Å; L151-P202 HydrophobicContact CD1-CB 4.02Å; L151-P202 HydrophobicContact CD1-CG 4.02Å; L151-A327 HydrophobicContact CD1-CB 4.09Å; L151-L328 HydrophobicContact CD2-CD2 4.45Å; L151-N331 HydrophobicContact CD2-CB 3.9Å; L151-S338 WeakPolarHBondContact O-CA 3.42Å; L151-S338 WeakPolarHBondContact O-CB 3.37Å; L151-S338 PolarHBondContact O-N 3.05Å; L151-S338 PolarHBondContact O-OG 3.25Å
152	G	79.7	Confident	86.2	Confident	6 Å²	6	35 Å²	35	6%	0.062	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	122	0.2	172	0	0	0	0	0	118.1	A148 N149 I150 H154 A335 S338	A148-G152 PolarHBondContact O-N 3.26Å; A148-G152 VanDerWaalsContact O-N 3.14Å; N149-G152 PolarHBondContact O-N 3.49Å; N149-G152 VanDerWaalsContact O-N 3.16Å; I150-G152 PolarHBondContact O-N 3.12Å; G152-H154 PolarHBondContact O-CD2 3Å; G152-H154 PolarHBondContact O-N 3.42Å; G152-A335 WeakPolarHBondContact CA-O 3.43Å; G152-S338 WeakPolarHBondContact CA-OG 3.46Å; G152-S338 PolarHBondContact N-OG 2.96Å
153	N	81.7	Confident	85.2	Confident	43 Å²	43	36.1 Å²	36.1	23%	0.23	17%	0.174	C	C	.	.			trans	-85.5	95.1	174.2	-170.5	-13.9	0	0	0	109.9	L65 A148 N149 T155 S338 I339	L65-N153 HydrophobicContact CD1-CB 4.04Å; L65-N153 WeakPolarHBondContact CD1-OD1 3.42Å; A148-N153 HydrophobicContact CB-CB 4.36Å; A148-N153 WeakPolarHBondContact O-CB 3.48Å; A148-N153 PolarHBondContact O-N 3.46Å; N149-N153 WeakPolarHBondContact CA-O 3.14Å; N149-N153 PolarHBondContact ND2-O 3.02Å; N153-T155 VanDerWaalsContact C-N 3.34Å; N153-T155 WeakPolarHBondContact OD1-CB 3.39Å; N153-T155 PolarHBondContact OD1-N 3.47Å; N153-T155 PolarHBondContact OD1-OG1 3.07Å; N153-S338 PolarHBondContact N-OG 3.39Å; N153-I339 HydrophobicContact CB-CD1 4.03Å; N153-I339 HydrophobicContact CB-CG1 4.13Å
154	H	84.1	Confident	84.4	Confident	29 Å²	29	41 Å²	41	13%	0.134	20%	0.2	C	C	.	.			trans	-96.1	22.1	-178.2	-53.5	-55.6	0	0	0	113.7	N149 G152 R156 L157 I162	N149-H154 PolarHBondContact O-CE1 3.4Å; N149-H154 PolarHBondContact O-ND1 3.24Å; G152-H154 PolarHBondContact O-CD2 3Å; G152-H154 PolarHBondContact O-N 3.42Å; H154-R156 PolarHBondContact O-N 3.13Å; H154-L157 HydrophobicContact CB-CB 4.41Å; H154-L157 HydrophobicContact CB-CD1 4.06Å; H154-L157 WeakPolarHBondContact O-CB 3.36Å; H154-L157 PolarHBondContact O-N 3.1Å; H154-I162 HydrophobicContact CB-CD1 3.62Å; H154-I162 HydrophobicContact CB-CG1 3.78Å
155	T	83.3	Confident	83.7	Confident	63 Å²	63	38.4 Å²	38.4	39%	0.387	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	129.9	179.7	-52.7	0	0	0	0	110	S60 N153 L157	S60-T155 PolarHBondContact OG-O 2.89Å; N153-T155 VanDerWaalsContact C-N 3.34Å; N153-T155 WeakPolarHBondContact OD1-CB 3.39Å; N153-T155 PolarHBondContact OD1-N 3.47Å; N153-T155 PolarHBondContact OD1-OG1 3.07Å; T155-L157 VanDerWaalsContact C-N 3.29Å; T155-L157 PolarHBondContact O-N 3.24Å
156	R	82.4	Confident	82.8	Confident	61 Å²	61	41.5 Å²	41.5	23%	0.23	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	25.5	-175.8	-58.7	179.2	-161.8	75.7	-0.8	115.3	Q57 E64 L65 H154	Q57-R156 PolarHBondContact NE2-O 2.98Å; E64-R156 PolarHBondContact O-NH1 3.04Å; L65-R156 WeakPolarHBondContact O-CD 3.48Å; L65-R156 PolarHBondContact O-NH1 3.21Å; H154-R156 PolarHBondContact O-N 3.13Å
157	L	84.9	Confident	81.9	Confident	22 Å²	22	46.4 Å²	46.4	12%	0.115	23%	0.233	C	C	.	.			trans	-100.1	149	167.1	-64.4	-177.6	0	0	0	111.7	N149 H154 T155 I161 I162 L165	N149-L157 HydrophobicContact CB-CD1 4.03Å; H154-L157 HydrophobicContact CB-CB 4.41Å; H154-L157 HydrophobicContact CB-CD1 4.06Å; H154-L157 WeakPolarHBondContact O-CB 3.36Å; H154-L157 PolarHBondContact O-N 3.1Å; T155-L157 VanDerWaalsContact C-N 3.29Å; T155-L157 PolarHBondContact O-N 3.24Å; L157-I161 HydrophobicContact CD1-CG2 4.46Å; L157-I161 HydrophobicContact CD2-CD1 4.47Å; L157-I162 HydrophobicContact CB-CD1 4.43Å; L157-I162 HydrophobicContact CB-CG1 4.1Å; L157-L165 HydrophobicContact CD1-CD1 3.78Å
158	Q	82.2	Confident	81.3	Confident	93 Å²	93	48.4 Å²	48.4	44%	0.435	24%	0.241	S	C	.	.			trans	-77.7	146.3	170.8	-66.3	172.3	-29.4	0	0	110.1	F160 I161	Q158-F160 VanDerWaalsContact C-N 3.32Å; Q158-F160 HydrophobicContact CB-CD1 3.84Å; Q158-F160 HydrophobicContact CB-CE1 3.52Å; Q158-F160 HydrophobicContact CB-CZ 4.23Å; Q158-F160 HydrophobicContact CG-CE1 4.23Å; Q158-F160 PolarHBondContact O-N 3.32Å; Q158-I161 HydrophobicContact CB-CD1 4.05Å; Q158-I161 HydrophobicContact CB-CG1 4.37Å; Q158-I161 WeakPolarHBondContact O-CB 3.36Å; Q158-I161 PolarHBondContact O-N 3.36Å
159	Q	77.6	Confident	80.6	Confident	125 Å²	125	53.1 Å²	53.1	58%	0.584	26%	0.258	S	S	*	.	H	α-helix	trans	-55.2	-41	-171.6	-172.7	62.7	25.7	0	0	113.9	I161 I162 E163	Q159-I161 PolarHBondContact O-N 2.93Å; Q159-I162 WeakPolarHBondContact O-CB 3.27Å; Q159-I162 PolarHBondContact O-N 3.15Å; Q159-I162 VanDerWaalsContact O-N 3.11Å; Q159-E163 PolarHBondContact O-N 3.3Å
160	F	77.4	Confident	80.3	Confident	87 Å²	87	54 Å²	54	38%	0.382	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-26	-180	72.4	-96.9	0	0	0	113.5	K56 Q158 N164	K56-F160 HydrophobicContact CD-CE2 4.32Å; Q158-F160 VanDerWaalsContact C-N 3.32Å; Q158-F160 HydrophobicContact CB-CD1 3.84Å; Q158-F160 HydrophobicContact CB-CE1 3.52Å; Q158-F160 HydrophobicContact CB-CZ 4.23Å; Q158-F160 HydrophobicContact CG-CE1 4.23Å; Q158-F160 PolarHBondContact O-N 3.32Å; F160-N164 PolarHBondContact O-ND2 3.14Å
161	I	79.6	Confident	80.1	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.046	28%	0.279	C	S	.	.	H	α-helix	trans	-73.3	-39.8	177.6	-55.6	170.4	0	0	0	109.2	Q57 I58 L157 Q158 Q159 E163 N164 L165	Q57-I161 HydrophobicContact CB-CD1 3.96Å; Q57-I161 HydrophobicContact CG-CD1 4.18Å; Q57-I161 WeakPolarHBondContact O-CD1 3.28Å; I58-I161 VanDerWaalsContact O-CG2 3.28Å; I58-I161 WeakPolarHBondContact O-CG2 3.26Å; L157-I161 HydrophobicContact CD1-CG2 4.46Å; L157-I161 HydrophobicContact CD2-CD1 4.47Å; Q158-I161 HydrophobicContact CB-CD1 4.05Å; Q158-I161 HydrophobicContact CB-CG1 4.37Å; Q158-I161 WeakPolarHBondContact O-CB 3.36Å; Q158-I161 PolarHBondContact O-N 3.36Å; Q159-I161 PolarHBondContact O-N 2.93Å; I161-E163 VanDerWaalsContact C-N 3.27Å; I161-E163 PolarHBondContact O-N 3.37Å; I161-N164 PolarHBondContact O-N 3.48Å; I161-L165 HydrophobicContact CG2-CD1 3.97Å; I161-L165 HydrophobicContact CG2-CG 4.34Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 3.17Å; I161-L165 VanDerWaalsContact O-N 3.12Å
162	I	79.1	Confident	80.1	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.087	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-40.9	-177.6	-59.2	177.8	0	0	0	110.6	H154 L157 Q159 N164 L165 K166	H154-I162 HydrophobicContact CB-CD1 3.62Å; H154-I162 HydrophobicContact CB-CG1 3.78Å; L157-I162 HydrophobicContact CB-CD1 4.43Å; L157-I162 HydrophobicContact CB-CG1 4.1Å; Q159-I162 WeakPolarHBondContact O-CB 3.27Å; Q159-I162 PolarHBondContact O-N 3.15Å; Q159-I162 VanDerWaalsContact O-N 3.11Å; I162-N164 PolarHBondContact O-N 3.28Å; I162-L165 PolarHBondContact O-N 3.48Å; I162-K166 HydrophobicContact CG2-CD 4.28Å; I162-K166 HydrophobicContact CG2-CG 4.33Å; I162-K166 WeakPolarHBondContact O-CG 3.43Å; I162-K166 PolarHBondContact O-N 2.88Å
163	E	75.5	Confident	80.3	Confident	118 Å²	118	62.9 Å²	62.9	55%	0.551	31%	0.31	S	S	*	.	H	α-helix	trans	-60.7	-44.4	178.6	-68.6	174.7	-177.5	0	0	112.2	Q159 I161 L165 K166	Q159-E163 PolarHBondContact O-N 3.3Å; I161-E163 VanDerWaalsContact C-N 3.27Å; I161-E163 PolarHBondContact O-N 3.37Å; E163-L165 VanDerWaalsContact C-N 3.32Å; E163-L165 PolarHBondContact O-N 3.28Å; E163-K166 PolarHBondContact O-N 3.5Å
164	N	78	Confident	80.4	Confident	101 Å²	101	61.5 Å²	61.5	54%	0.54	30%	0.303	S	S	.	.	H	α-helix	trans	-66.9	-32.3	177	-64.7	-40.3	0	0	0	112.8	F160 I161 I162 T167	F160-N164 PolarHBondContact O-ND2 3.14Å; I161-N164 PolarHBondContact O-N 3.48Å; I162-N164 PolarHBondContact O-N 3.28Å; N164-T167 PolarHBondContact O-OG1 2.65Å
165	L	80.1	Confident	80.7	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-76.7	-32.4	178.2	-67.5	174.5	0	0	0	112.2	F144 N149 I150 L157 I161 I162 E163 T167 F168	F144-L165 HydrophobicContact CE1-CD2 4.48Å; N149-L165 HydrophobicContact CB-CD1 3.88Å; I150-L165 HydrophobicContact CG1-CD2 4.32Å; L157-L165 HydrophobicContact CD1-CD1 3.78Å; I161-L165 HydrophobicContact CG2-CD1 3.97Å; I161-L165 HydrophobicContact CG2-CG 4.34Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 3.17Å; I161-L165 VanDerWaalsContact O-N 3.12Å; I162-L165 PolarHBondContact O-N 3.48Å; E163-L165 VanDerWaalsContact C-N 3.32Å; E163-L165 PolarHBondContact O-N 3.28Å; L165-T167 PolarHBondContact O-N 2.86Å; L165-F168 WeakPolarHBondContact O-CB 3.09Å; L165-F168 PolarHBondContact O-N 3.29Å; L165-F168 VanDerWaalsContact O-N 3.16Å
166	K	74.2	Confident	81	Confident	65 Å²	65	58.7 Å²	58.7	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-29.6	178.6	-79.8	-174.7	175.7	-155.2	0	112.9	I162 E163 R169 A335 E336	I162-K166 HydrophobicContact CG2-CD 4.28Å; I162-K166 HydrophobicContact CG2-CG 4.33Å; I162-K166 WeakPolarHBondContact O-CG 3.43Å; I162-K166 PolarHBondContact O-N 2.88Å; E163-K166 PolarHBondContact O-N 3.5Å; K166-R169 PolarHBondContact O-NH1 3.31Å; K166-A335 HydrophobicContact CG-CB 4.19Å; K166-E336 IonicContact NZ-OE1 3.42Å; K166-E336 PolarHBondContact NZ-OE1 3.4Å
167	T	73.9	Confident	81.3	Confident	103 Å²	103	56 Å²	56	63%	0.632	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-18	177.1	53.3	0	0	0	0	113.5	N164 L165	N164-T167 PolarHBondContact O-OG1 2.65Å; L165-T167 PolarHBondContact O-N 2.86Å
168	F	80.9	Confident	81.7	Confident	41 Å²	41	54.9 Å²	54.9	18%	0.18	27%	0.269	C	S	.	.			trans	-68.8	138.8	-177.4	-176.7	-88.9	0	0	0	111.9	F144 I150 L165 F170	F144-F168 AromaticContact CE1-CD2 3.75Å; F144-F168 HydrophobicContact CE1-CD2 3.75Å; F144-F168 AromaticContact CE1-CE2 3.81Å; F144-F168 HydrophobicContact CE1-CE2 3.81Å; F144-F168 HydrophobicContact CE1-CG 4.36Å; F144-F168 HydrophobicContact CE1-CZ 4.47Å; F144-F168 AromaticContact CZ-CD2 3.93Å; F144-F168 HydrophobicContact CZ-CD2 3.93Å; F144-F168 HydrophobicContact CZ-CE2 4.28Å; I150-F168 HydrophobicContact CD1-CD1 4.19Å; I150-F168 HydrophobicContact CD1-CE1 4Å; I150-F168 HydrophobicContact CG1-CD1 4.19Å; I150-F168 HydrophobicContact CG1-CE1 4.49Å; I150-F168 HydrophobicContact CG2-CD1 3.66Å; I150-F168 HydrophobicContact CG2-CE1 4.04Å; L165-F168 WeakPolarHBondContact O-CB 3.09Å; L165-F168 PolarHBondContact O-N 3.29Å; L165-F168 VanDerWaalsContact O-N 3.16Å; F168-F170 AromaticContact CE1-CD1 3.67Å; F168-F170 HydrophobicContact CE1-CD1 3.67Å; F168-F170 HydrophobicContact CE1-CD2 4.19Å; F168-F170 AromaticContact CE1-CE1 3.46Å; F168-F170 HydrophobicContact CE1-CE1 3.46Å; F168-F170 VanDerWaalsContact CE1-CE1 3.46Å; F168-F170 HydrophobicContact CE1-CE2 4Å; F168-F170 HydrophobicContact CE1-CG 4.03Å; F168-F170 AromaticContact CE1-CZ 3.64Å; F168-F170 HydrophobicContact CE1-CZ 3.64Å; F168-F170 AromaticContact CZ-CD1 3.97Å; F168-F170 HydrophobicContact CZ-CD1 3.97Å; F168-F170 AromaticContact CZ-CE1 3.76Å; F168-F170 HydrophobicContact CZ-CE1 3.76Å; F168-F170 HydrophobicContact CZ-CZ 4.33Å
169	R	76.9	Confident	82.3	Confident	104 Å²	104	50.5 Å²	50.5	39%	0.392	25%	0.248	S	C	.	.			trans	-140.3	133.2	177.5	-68.1	-66	-178.2	-83.2	-9.9	110.4	K166 N332 P334	K166-R169 PolarHBondContact O-NH1 3.31Å; R169-N332 PolarHBondContact NE-O 2.92Å; R169-P334 VanDerWaalsContact NH2-CA 3.33Å; R169-P334 VanDerWaalsContact NH2-CD 3.28Å; R169-P334 VanDerWaalsContact NH2-N 3.19Å
170	F	83.7	Confident	83	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.083	23%	0.225	C	C	.	.			trans	-76.1	138.2	170.1	-67.9	-66.5	0	0	0	110.7	L147 I150 F168 D174 R175 I207 W213 L328	L147-F170 HydrophobicContact CD1-CE2 3.93Å; L147-F170 HydrophobicContact CD1-CZ 4.03Å; I150-F170 HydrophobicContact CD1-CZ 3.98Å; I150-F170 HydrophobicContact CG2-CD2 4.42Å; I150-F170 HydrophobicContact CG2-CE2 3.58Å; I150-F170 HydrophobicContact CG2-CZ 4.01Å; F168-F170 AromaticContact CE1-CD1 3.67Å; F168-F170 HydrophobicContact CE1-CD1 3.67Å; F168-F170 HydrophobicContact CE1-CD2 4.19Å; F168-F170 AromaticContact CE1-CE1 3.46Å; F168-F170 HydrophobicContact CE1-CE1 3.46Å; F168-F170 VanDerWaalsContact CE1-CE1 3.46Å; F168-F170 HydrophobicContact CE1-CE2 4Å; F168-F170 HydrophobicContact CE1-CG 4.03Å; F168-F170 AromaticContact CE1-CZ 3.64Å; F168-F170 HydrophobicContact CE1-CZ 3.64Å; F168-F170 AromaticContact CZ-CD1 3.97Å; F168-F170 HydrophobicContact CZ-CD1 3.97Å; F168-F170 AromaticContact CZ-CE1 3.76Å; F168-F170 HydrophobicContact CZ-CE1 3.76Å; F168-F170 HydrophobicContact CZ-CZ 4.33Å; F170-D174 HydrophobicContact CB-CB 4.2Å; F170-D174 HydrophobicContact CD1-CB 3.8Å; F170-D174 HydrophobicContact CG-CB 4.47Å; F170-R175 HydrophobicContact CB-CG 3.98Å; F170-R175 PolarHBondContact O-NH2 3.39Å; F170-I207 HydrophobicContact CE1-CD1 3.62Å; F170-I207 HydrophobicContact CZ-CD1 3.37Å; F170-W213 AromaticContact CE1-CZ2 3.96Å; F170-W213 HydrophobicContact CE1-CZ2 3.96Å; F170-W213 AromaticContact CZ-CZ2 3.99Å; F170-W213 HydrophobicContact CZ-CZ2 3.99Å; F170-L328 HydrophobicContact CE2-CD2 4.32Å
171	T	83.8	Confident	83.8	Confident	72 Å²	72	41.7 Å²	41.7	44%	0.442	21%	0.208	S	C	.	.			trans	-74.2	163.5	160.5	67.5	0	0	0	0	110	M173 D174 R175	T171-M173 PolarHBondContact O-N 3.12Å; T171-D174 WeakPolarHBondContact CB-OD2 3.22Å; T171-D174 PolarHBondContact N-OD2 3.26Å; T171-D174 PolarHBondContact O-N 3.21Å; T171-D174 PolarHBondContact OG1-N 2.95Å; T171-D174 VanDerWaalsContact OG1-N 3.14Å; T171-D174 PolarHBondContact OG1-OD2 3.2Å; T171-R175 PolarHBondContact O-N 3.25Å
172	D	83.4	Confident	84.6	Confident	114 Å²	114	41.3 Å²	41.3	61%	0.61	21%	0.206	S	C	*	.	H	α-helix	trans	-61.4	-34	174.8	-64.7	-34.8	0	0	0	111.7	R175 K176	D172-R175 PolarHBondContact O-N 2.93Å; D172-R175 IonicContact OD1-CZ 3.32Å; D172-R175 IonicContact OD1-NH1 2.69Å; D172-R175 PolarHBondContact OD1-NH1 2.91Å; D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 PolarHBondContact O-N 3.43Å
173	M	83.2	Confident	85.4	Confident	28 Å²	28	40.5 Å²	40.5	14%	0.138	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-38.8	175.2	-168.3	59.6	59.6	0	0	112.2	T171 R175 K176 L177 T475 M476 L479 I511	T171-M173 PolarHBondContact O-N 3.12Å; M173-R175 VanDerWaalsContact C-N 3.33Å; M173-R175 PolarHBondContact O-N 2.88Å; M173-K176 PolarHBondContact O-N 3Å; M173-K176 HydrophobicContact SD-CD 4.22Å; M173-L177 HydrophobicContact CG-CD1 4.19Å; M173-L177 HydrophobicContact CG-CG 4.38Å; M173-L177 WeakPolarHBondContact O-CB 3.45Å; M173-L177 WeakPolarHBondContact O-CG 3.4Å; M173-L177 PolarHBondContact O-N 3.4Å; M173-T475 HydrophobicContact CE-CG2 3.91Å; M173-T475 HydrophobicContact SD-CG2 4.34Å; M173-M476 HydrophobicContact SD-CB 4.29Å; M173-L479 HydrophobicContact CG-CD1 4.18Å; M173-I511 HydrophobicContact CB-CD1 3.85Å; M173-I511 HydrophobicContact CG-CD1 3.73Å
174	D	85.3	Confident	86.2	Confident	14 Å²	14	35.7 Å²	35.7	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-40.9	176.6	-64.3	-44.1	0	0	0	112.1	F170 T171 G178 R515	F170-D174 HydrophobicContact CB-CB 4.2Å; F170-D174 HydrophobicContact CD1-CB 3.8Å; F170-D174 HydrophobicContact CG-CB 4.47Å; T171-D174 WeakPolarHBondContact CB-OD2 3.22Å; T171-D174 PolarHBondContact N-OD2 3.26Å; T171-D174 PolarHBondContact O-N 3.21Å; T171-D174 PolarHBondContact OG1-N 2.95Å; T171-D174 VanDerWaalsContact OG1-N 3.14Å; T171-D174 PolarHBondContact OG1-OD2 3.2Å; D174-G178 PolarHBondContact O-N 2.86Å; D174-R515 IonicContact OD1-CZ 3.83Å; D174-R515 IonicContact OD1-NH1 3.94Å; D174-R515 PolarHBondContact OD1-NH1 3.44Å; D174-R515 IonicContact OD1-NH2 3.84Å; D174-R515 PolarHBondContact OD1-NH2 2.94Å; D174-R515 IonicContact OD2-NH2 3.36Å
175	R	89	Confident	87	Confident	3 Å²	3	31 Å²	31	1%	0.011	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-46.8	173.8	-64.2	-172.6	-163.1	81.4	33.6	110.5	F170 T171 D172 M173 G178 I179 L328 N332	F170-R175 HydrophobicContact CB-CG 3.98Å; F170-R175 PolarHBondContact O-NH2 3.39Å; T171-R175 PolarHBondContact O-N 3.25Å; D172-R175 PolarHBondContact O-N 2.93Å; D172-R175 IonicContact OD1-CZ 3.32Å; D172-R175 IonicContact OD1-NH1 2.69Å; D172-R175 PolarHBondContact OD1-NH1 2.91Å; M173-R175 VanDerWaalsContact C-N 3.33Å; M173-R175 PolarHBondContact O-N 2.88Å; R175-G178 PolarHBondContact O-N 2.8Å; R175-I179 WeakPolarHBondContact O-CB 3.32Å; R175-I179 WeakPolarHBondContact O-CD1 3.4Å; R175-I179 WeakPolarHBondContact O-CG1 3.5Å; R175-I179 PolarHBondContact O-N 3.29Å; R175-L328 PolarHBondContact NE-O 3.43Å; R175-N332 PolarHBondContact NH2-ND2 3.17Å; R175-N332 PolarHBondContact NH2-OD1 2.71Å
176	K	90.1	Very high	87.8	Confident	31 Å²	31	30.7 Å²	30.7	14%	0.135	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-51.1	179.9	-178.2	179.4	-71.6	-169.3	0	111.3	D172 M173 I179 Y180 F470 F471 D473 M476	D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 PolarHBondContact O-N 3.43Å; M173-K176 PolarHBondContact O-N 3Å; M173-K176 HydrophobicContact SD-CD 4.22Å; K176-I179 PolarHBondContact O-N 2.91Å; K176-Y180 WeakPolarHBondContact O-CB 3.41Å; K176-Y180 PolarHBondContact O-N 3.11Å; K176-F470 HydrophobicContact CB-CE1 4.04Å; K176-F470 HydrophobicContact CB-CZ 3.75Å; K176-F470 HydrophobicContact CD-CE1 4.4Å; K176-F470 HydrophobicContact CD-CE2 4.41Å; K176-F470 HydrophobicContact CD-CZ 4.16Å; K176-F470 WeakPolarHBondContact CD-O 3.19Å; K176-F470 VanDerWaalsContact CE-O 3.27Å; K176-F470 WeakPolarHBondContact CE-O 3.47Å; K176-F470 HydrophobicContact CG-CD1 4.32Å; K176-F470 HydrophobicContact CG-CE1 3.62Å; K176-F470 HydrophobicContact CG-CE2 4.36Å; K176-F470 HydrophobicContact CG-CZ 3.64Å; K176-F470 PolarHBondContact NZ-O 2.93Å; K176-F471 HydrophobicContact CG-CD1 4.49Å; K176-D473 HydrophobicContact CD-CB 4.23Å; K176-D473 IonicContact NZ-OD2 2.63Å; K176-D473 PolarHBondContact NZ-OD2 2.96Å; K176-M476 HydrophobicContact CD-CB 4.13Å; K176-M476 HydrophobicContact CD-CG 4.02Å; K176-M476 HydrophobicContact CG-CG 4.05Å
177	L	88.8	Confident	88.8	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-47.6	176.7	-73.9	171.9	0	0	0	112.1	M173 I179 Y180 Q181 M476 L479	M173-L177 HydrophobicContact CG-CD1 4.19Å; M173-L177 HydrophobicContact CG-CG 4.38Å; M173-L177 WeakPolarHBondContact O-CB 3.45Å; M173-L177 WeakPolarHBondContact O-CG 3.4Å; M173-L177 PolarHBondContact O-N 3.4Å; L177-I179 PolarHBondContact O-N 3.35Å; L177-Y180 WeakPolarHBondContact O-CB 3.4Å; L177-Y180 PolarHBondContact O-N 2.97Å; L177-Q181 WeakPolarHBondContact O-CB 3.39Å; L177-Q181 VanDerWaalsContact O-CG 3.26Å; L177-Q181 WeakPolarHBondContact O-CG 3.3Å; L177-Q181 PolarHBondContact O-N 3.08Å; L177-M476 HydrophobicContact CD2-CE 3.54Å; L177-M476 HydrophobicContact CD2-CG 3.82Å; L177-L479 HydrophobicContact CD1-CB 4.28Å; L177-L479 HydrophobicContact CD1-CD1 3.55Å; L177-L479 HydrophobicContact CD1-CG 4.49Å; L177-L479 HydrophobicContact CD2-CB 3.9Å; L177-L479 HydrophobicContact CD2-CD1 4.28Å; L177-L479 HydrophobicContact CG-CD1 4.34Å
178	G	92.7	Very high	89.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-44.3	-179.8	0	0	0	0	0	113	D174 R175 Q181 L182	D174-G178 PolarHBondContact O-N 2.86Å; R175-G178 PolarHBondContact O-N 2.8Å; G178-Q181 PolarHBondContact O-N 3.14Å; G178-L182 WeakPolarHBondContact O-CG 3.33Å; G178-L182 PolarHBondContact O-N 3.47Å; G178-L182 VanDerWaalsContact O-N 3.11Å
179	I	94.5	Very high	90.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.8	-63.6	163.6	0	0	0	110.5	R175 K176 L177 L182 T183 I325 L328 Y329 L444 F465 F471	R175-I179 WeakPolarHBondContact O-CB 3.32Å; R175-I179 WeakPolarHBondContact O-CD1 3.4Å; R175-I179 WeakPolarHBondContact O-CG1 3.5Å; R175-I179 PolarHBondContact O-N 3.29Å; K176-I179 PolarHBondContact O-N 2.91Å; L177-I179 PolarHBondContact O-N 3.35Å; I179-L182 PolarHBondContact O-N 3.24Å; I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.3Å; I179-T183 PolarHBondContact O-OG1 2.89Å; I179-I325 HydrophobicContact CD1-CG1 4.01Å; I179-I325 HydrophobicContact CD1-CG2 4.36Å; I179-I325 HydrophobicContact CG1-CG1 4.09Å; I179-I325 HydrophobicContact CG2-CD1 3.89Å; I179-I325 HydrophobicContact CG2-CG1 4.11Å; I179-L328 HydrophobicContact CD1-CD1 4.32Å; I179-L328 HydrophobicContact CG1-CD1 4.04Å; I179-Y329 HydrophobicContact CD1-CE2 4.09Å; I179-L444 HydrophobicContact CD1-CD1 4.46Å; I179-F465 HydrophobicContact CG2-CE1 4.15Å; I179-F471 HydrophobicContact CB-CE1 4.39Å; I179-F471 HydrophobicContact CG2-CE1 4.11Å; I179-F471 HydrophobicContact CG2-CZ 3.84Å
180	Y	93.5	Very high	91.1	Very high	25 Å²	25	23.4 Å²	23.4	10%	0.098	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-47	175.7	179.1	-99.2	0	0	0	111.6	K176 L177 L182 T183 E184 F471 M476 D480	K176-Y180 WeakPolarHBondContact O-CB 3.41Å; K176-Y180 PolarHBondContact O-N 3.11Å; L177-Y180 WeakPolarHBondContact O-CB 3.4Å; L177-Y180 PolarHBondContact O-N 2.97Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-L182 PolarHBondContact O-N 2.67Å; Y180-T183 WeakPolarHBondContact O-CA 3.44Å; Y180-T183 WeakPolarHBondContact O-CB 3.15Å; Y180-T183 PolarHBondContact O-N 3.28Å; Y180-E184 HydrophobicContact CD1-CG 3.96Å; Y180-E184 HydrophobicContact CD2-CG 4.38Å; Y180-E184 HydrophobicContact CE1-CG 3.48Å; Y180-E184 VanDerWaalsContact CE1-CG 3.48Å; Y180-E184 HydrophobicContact CE2-CG 3.94Å; Y180-E184 HydrophobicContact CG-CG 4.41Å; Y180-E184 VanDerWaalsContact CZ-CG 3.47Å; Y180-E184 PolarHBondContact O-N 3.29Å; Y180-F471 HydrophobicContact CD2-CB 3.81Å; Y180-F471 AromaticContact CD2-CD1 3.73Å; Y180-F471 HydrophobicContact CD2-CD1 3.73Å; Y180-F471 HydrophobicContact CD2-CD2 4.2Å; Y180-F471 HydrophobicContact CD2-CE1 4.33Å; Y180-F471 AromaticContact CD2-CG 3.66Å; Y180-F471 HydrophobicContact CD2-CG 3.66Å; Y180-F471 HydrophobicContact CE2-CB 4.23Å; Y180-F471 HydrophobicContact CE2-CG 4.45Å; Y180-F471 HydrophobicContact CG-CD1 4.17Å; Y180-M476 HydrophobicContact CD1-CE 3.11Å; Y180-M476 HydrophobicContact CD1-SD 4.12Å; Y180-M476 HydrophobicContact CD2-CE 4.2Å; Y180-M476 HydrophobicContact CD2-SD 4.17Å; Y180-M476 HydrophobicContact CE1-CE 3.55Å; Y180-M476 HydrophobicContact CE1-SD 4.44Å; Y180-M476 HydrophobicContact CE2-SD 4.5Å; Y180-M476 HydrophobicContact CG-CE 3.46Å; Y180-M476 VanDerWaalsContact CG-CE 3.46Å; Y180-M476 HydrophobicContact CG-SD 3.94Å; Y180-D480 HydrophobicContact CE1-CB 4.18Å
181	Q	93.7	Very high	91.4	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-41.2	-179.4	-74.7	171.6	-9.6	0	0	113.1	N121 L177 G178 L185	N121-Q181 HydrophobicContact CB-CB 4.26Å; N121-Q181 WeakPolarHBondContact ND2-CA 2.92Å; N121-Q181 PolarHBondContact ND2-O 3.15Å; N121-Q181 VanDerWaalsContact ND2-O 3.15Å; L177-Q181 WeakPolarHBondContact O-CB 3.39Å; L177-Q181 VanDerWaalsContact O-CG 3.26Å; L177-Q181 WeakPolarHBondContact O-CG 3.3Å; L177-Q181 PolarHBondContact O-N 3.08Å; G178-Q181 PolarHBondContact O-N 3.14Å; Q181-L185 WeakPolarHBondContact O-CB 3.21Å; Q181-L185 PolarHBondContact O-N 3.46Å
182	L	95.8	Very high	91.5	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-42.6	173.1	-67.2	177.2	0	0	0	111.4	G178 I179 Y180 E184 L185 L186 I205 W213 L215 L321	G178-L182 WeakPolarHBondContact O-CG 3.33Å; G178-L182 PolarHBondContact O-N 3.47Å; G178-L182 VanDerWaalsContact O-N 3.11Å; I179-L182 PolarHBondContact O-N 3.24Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-L182 PolarHBondContact O-N 2.67Å; L182-E184 PolarHBondContact O-N 3.23Å; L182-L185 PolarHBondContact O-N 3.09Å; L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.18Å; L182-I205 HydrophobicContact CD1-CD1 3.63Å; L182-I205 HydrophobicContact CD1-CG1 4.29Å; L182-I205 HydrophobicContact CD2-CD1 4.26Å; L182-I205 HydrophobicContact CD2-CG1 4.03Å; L182-I205 HydrophobicContact CD2-CG2 4.49Å; L182-W213 HydrophobicContact CD1-CE3 3.76Å; L182-W213 HydrophobicContact CD1-CZ3 3.94Å; L182-W213 HydrophobicContact CG-CE3 4.15Å; L182-L215 HydrophobicContact CD2-CB 4.44Å; L182-L215 HydrophobicContact CD2-CD1 4.47Å; L182-L321 HydrophobicContact CB-CD1 4.12Å; L182-L321 HydrophobicContact CD1-CD1 4.15Å
183	T	95.6	Very high	91.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-45	178.2	-55.7	0	0	0	0	111.1	I179 Y180 L186 R187 F465 A466	I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.3Å; I179-T183 PolarHBondContact O-OG1 2.89Å; Y180-T183 WeakPolarHBondContact O-CA 3.44Å; Y180-T183 WeakPolarHBondContact O-CB 3.15Å; Y180-T183 PolarHBondContact O-N 3.28Å; T183-L186 PolarHBondContact O-N 3.21Å; T183-R187 WeakPolarHBondContact O-CB 3.26Å; T183-R187 PolarHBondContact O-N 3.45Å; T183-F465 HydrophobicContact CG2-CB 4.24Å; T183-F465 HydrophobicContact CG2-CD1 3.73Å; T183-F465 HydrophobicContact CG2-CG 4.48Å; T183-A466 HydrophobicContact CG2-CB 3.84Å
184	E	92.6	Very high	92.1	Very high	17 Å²	17	23.2 Å²	23.2	8%	0.079	13%	0.126	C	C	.	.	H	α-helix	trans	-62.1	-42.9	176.8	-79.4	-63.8	102.2	0	0	112.4	Y180 L182 R187 F188	Y180-E184 HydrophobicContact CD1-CG 3.96Å; Y180-E184 HydrophobicContact CD2-CG 4.38Å; Y180-E184 HydrophobicContact CE1-CG 3.48Å; Y180-E184 VanDerWaalsContact CE1-CG 3.48Å; Y180-E184 HydrophobicContact CE2-CG 3.94Å; Y180-E184 HydrophobicContact CG-CG 4.41Å; Y180-E184 VanDerWaalsContact CZ-CG 3.47Å; Y180-E184 PolarHBondContact O-N 3.29Å; L182-E184 PolarHBondContact O-N 3.23Å; E184-R187 VanDerWaalsContact CD-NH2 3.32Å; E184-R187 WeakPolarHBondContact O-CB 3.21Å; E184-R187 PolarHBondContact O-N 3.1Å; E184-R187 IonicContact OE1-CZ 3.41Å; E184-R187 VanDerWaalsContact OE1-CZ 3.24Å; E184-R187 IonicContact OE1-NE 3.51Å; E184-R187 PolarHBondContact OE1-NE 2.75Å; E184-R187 IonicContact OE1-NH2 2.91Å; E184-R187 PolarHBondContact OE1-NH2 3.01Å; E184-R187 IonicContact OE2-CZ 2.69Å; E184-R187 IonicContact OE2-NE 3.07Å; E184-R187 IonicContact OE2-NH2 2.59Å; E184-R187 PolarHBondContact OE2-NH2 3.27Å; E184-F188 PolarHBondContact O-N 2.83Å
185	L	95.2	Very high	92.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.3	-43.8	174.9	176.2	64.7	0	0	0	112	H119 N121 M122 Q181 L182 R187 F188 L189 L215	H119-L185 HydrophobicContact CB-CD1 3.85Å; H119-L185 WeakPolarHBondContact ND1-CD1 3.49Å; N121-L185 HydrophobicContact CB-CB 4.24Å; M122-L185 HydrophobicContact CB-CD1 4.03Å; M122-L185 HydrophobicContact CB-CD2 4.35Å; M122-L185 HydrophobicContact CG-CD1 4.47Å; M122-L185 HydrophobicContact CG-CD2 4.46Å; Q181-L185 WeakPolarHBondContact O-CB 3.21Å; Q181-L185 PolarHBondContact O-N 3.46Å; L182-L185 PolarHBondContact O-N 3.09Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.01Å; L185-F188 HydrophobicContact CD1-CD1 4.18Å; L185-F188 WeakPolarHBondContact O-CB 3.25Å; L185-F188 PolarHBondContact O-N 3.42Å; L185-L189 HydrophobicContact CD1-CG 4.42Å; L185-L189 HydrophobicContact CG-CD1 4.36Å; L185-L189 WeakPolarHBondContact O-CG 3.31Å; L185-L189 PolarHBondContact O-N 3.06Å; L185-L215 HydrophobicContact CD2-CB 3.24Å; L185-L215 HydrophobicContact CD2-CD2 3.55Å; L185-L215 HydrophobicContact CD2-CG 4.02Å; L185-L215 HydrophobicContact CG-CD2 4.49Å
186	L	96.7	Very high	92.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-36.9	177.4	-70.4	179.4	0	0	0	111.2	L182 T183 L189 H190 V200 D317 M318 L321	L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.18Å; T183-L186 PolarHBondContact O-N 3.21Å; L186-L189 HydrophobicContact CD2-CD1 4.48Å; L186-L189 PolarHBondContact O-N 3.38Å; L186-H190 VanDerWaalsContact O-CB 3.25Å; L186-H190 WeakPolarHBondContact O-CB 3.39Å; L186-H190 PolarHBondContact O-CD2 3.03Å; L186-H190 PolarHBondContact O-N 3.43Å; L186-H190 PolarHBondContact O-ND1 2.99Å; L186-V200 HydrophobicContact CD2-CG2 4.02Å; L186-D317 HydrophobicContact CD1-CB 4.27Å; L186-D317 HydrophobicContact CD2-CB 3.93Å; L186-M318 HydrophobicContact CD1-SD 4.1Å; L186-L321 HydrophobicContact CD1-CB 4.34Å; L186-L321 HydrophobicContact CD1-CD2 4.21Å
187	R	94.8	Very high	92.8	Very high	94 Å²	94	21.3 Å²	21.3	36%	0.355	12%	0.118	S	C	.	.	H	α-helix	trans	-58.7	-50.7	171.4	-175.4	176.3	70.4	131.9	3.3	110.6	T183 E184 L185 L189 H190 T191 S462 Q463	T183-R187 WeakPolarHBondContact O-CB 3.26Å; T183-R187 PolarHBondContact O-N 3.45Å; E184-R187 VanDerWaalsContact CD-NH2 3.32Å; E184-R187 WeakPolarHBondContact O-CB 3.21Å; E184-R187 PolarHBondContact O-N 3.1Å; E184-R187 IonicContact OE1-CZ 3.41Å; E184-R187 VanDerWaalsContact OE1-CZ 3.24Å; E184-R187 IonicContact OE1-NE 3.51Å; E184-R187 PolarHBondContact OE1-NE 2.75Å; E184-R187 IonicContact OE1-NH2 2.91Å; E184-R187 PolarHBondContact OE1-NH2 3.01Å; E184-R187 IonicContact OE2-CZ 2.69Å; E184-R187 IonicContact OE2-NE 3.07Å; E184-R187 IonicContact OE2-NH2 2.59Å; E184-R187 PolarHBondContact OE2-NH2 3.27Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.01Å; R187-L189 VanDerWaalsContact C-N 3.34Å; R187-L189 PolarHBondContact O-N 2.93Å; R187-H190 PolarHBondContact O-N 3.04Å; R187-T191 PolarHBondContact O-N 3.36Å; R187-T191 PolarHBondContact O-OG1 3.43Å; R187-S462 WeakPolarHBondContact CA-OG 3.45Å; R187-Q463 HydrophobicContact CG-CB 4.4Å
188	F	93.5	Very high	93	Very high	49 Å²	49	21.4 Å²	21.4	22%	0.215	12%	0.118	C	C	.	.	I	π-helix	trans	-55.3	-46.2	175.3	165.8	-100.6	0	0	0	112.7	H119 E184 L185 G192 Q193	H119-F188 HydrophobicContact CB-CD1 4Å; H119-F188 HydrophobicContact CB-CE1 4.01Å; H119-F188 AromaticContact CD2-CD1 3.78Å; H119-F188 AromaticContact CD2-CD2 3.95Å; H119-F188 AromaticContact CD2-CG 3.5Å; H119-F188 VanDerWaalsContact CD2-CG 3.5Å; H119-F188 WeakPolarHBondContact CD2-CG 3.31Å; E184-F188 PolarHBondContact O-N 2.83Å; L185-F188 HydrophobicContact CD1-CD1 4.18Å; L185-F188 WeakPolarHBondContact O-CB 3.25Å; L185-F188 PolarHBondContact O-N 3.42Å; F188-G192 CarbonylContact O-C 3.57Å; F188-G192 WeakPolarHBondContact O-CA 3.39Å; F188-G192 PolarHBondContact O-N 3.49Å; F188-Q193 HydrophobicContact CE1-CG 3.82Å; F188-Q193 HydrophobicContact CE2-CG 3.98Å; F188-Q193 HydrophobicContact CZ-CG 3.52Å; F188-Q193 PolarHBondContact O-N 3.11Å
189	L	93.8	Very high	93	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.119	C	C	.	.	I	π-helix	trans	-64.6	-51.8	178.5	-70	175.1	0	0	0	111.4	L117 L185 L186 R187 Q193 S194 L195 H197	L117-L189 HydrophobicContact CD1-CD2 4.36Å; L185-L189 HydrophobicContact CD1-CG 4.42Å; L185-L189 HydrophobicContact CG-CD1 4.36Å; L185-L189 WeakPolarHBondContact O-CG 3.31Å; L185-L189 PolarHBondContact O-N 3.06Å; L186-L189 HydrophobicContact CD2-CD1 4.48Å; L186-L189 PolarHBondContact O-N 3.38Å; R187-L189 VanDerWaalsContact C-N 3.34Å; R187-L189 PolarHBondContact O-N 2.93Å; L189-Q193 CarbonylContact O-C 3.56Å; L189-Q193 PolarHBondContact O-N 3.41Å; L189-S194 PolarHBondContact O-N 3.39Å; L189-L195 CarbonylContact C-O 3.6Å; L189-L195 PolarHBondContact O-N 3.12Å; L189-H197 HydrophobicContact CD1-CB 4.18Å
190	H	94	Very high	93	Very high	16 Å²	16	21.6 Å²	21.6	7%	0.074	12%	0.119	C	C	.	.	I	π-helix	trans	-69.5	-47.6	-172	-61.3	170.9	0	0	0	112.7	L186 R187 L195 P314 D317 S462	L186-H190 VanDerWaalsContact O-CB 3.25Å; L186-H190 WeakPolarHBondContact O-CB 3.39Å; L186-H190 PolarHBondContact O-CD2 3.03Å; L186-H190 PolarHBondContact O-N 3.43Å; L186-H190 PolarHBondContact O-ND1 2.99Å; R187-H190 PolarHBondContact O-N 3.04Å; H190-L195 WeakPolarHBondContact CA-O 3.39Å; H190-L195 PolarHBondContact CD2-O 3.49Å; H190-L195 PolarHBondContact N-O 3.13Å; H190-P314 HydrophobicContact CB-CB 4.2Å; H190-P314 PolarHBondContact CE1-O 2.71Å; H190-P314 VanDerWaalsContact CE1-O 3.23Å; H190-D317 IonicContact CD2-OD2 3.44Å; H190-D317 IonicContact CE1-OD2 3.99Å; H190-D317 IonicContact NE2-OD2 2.66Å; H190-D317 PolarHBondContact NE2-OD2 3.43Å; H190-S462 PolarHBondContact ND1-OG 2.85Å
191	T	89.8	Confident	92.9	Very high	78 Å²	78	20.5 Å²	20.5	48%	0.479	12%	0.115	S	C	.	.	I	π-helix	trans	-99.1	-32.2	-174.9	64.2	0	0	0	0	112.8	R187	R187-T191 PolarHBondContact O-N 3.36Å; R187-T191 PolarHBondContact O-OG1 3.43Å
192	G	86.3	Confident	92.8	Very high	46 Å²	46	20.7 Å²	20.7	47%	0.474	12%	0.116	S	C	.	.	I	π-helix	trans	-84.8	-41.6	-176.7	0	0	0	0	0	113.4	F188	F188-G192 CarbonylContact O-C 3.57Å; F188-G192 WeakPolarHBondContact O-CA 3.39Å; F188-G192 PolarHBondContact O-N 3.49Å
193	Q	88.4	Confident	92.6	Very high	52 Å²	52	20.9 Å²	20.9	24%	0.243	12%	0.118	C	C	.	.	S	Bend	trans	-109.1	-5.1	-178.1	-62.6	-62.1	-53.6	0	0	113.6	L117 F188 L189 L195 Y234	L117-Q193 HydrophobicContact CD2-CG 4.25Å; F188-Q193 HydrophobicContact CE1-CG 3.82Å; F188-Q193 HydrophobicContact CE2-CG 3.98Å; F188-Q193 HydrophobicContact CZ-CG 3.52Å; F188-Q193 PolarHBondContact O-N 3.11Å; L189-Q193 CarbonylContact O-C 3.56Å; L189-Q193 PolarHBondContact O-N 3.41Å; Q193-L195 HydrophobicContact CB-CB 4.32Å; Q193-L195 HydrophobicContact CB-CD1 3.88Å; Q193-L195 HydrophobicContact CB-CG 3.92Å; Q193-L195 WeakPolarHBondContact O-CG 3.33Å; Q193-L195 PolarHBondContact O-N 3.46Å; Q193-Y234 PolarHBondContact OE1-OH 3.47Å
194	S	90.8	Very high	92.6	Very high	52 Å²	52	21 Å²	21	36%	0.364	12%	0.119	S	C	.	.	S	Bend	trans	54.9	31.5	-172.1	-59	0	0	0	0	113.2	L189 T224	L189-S194 PolarHBondContact O-N 3.39Å; S194-T224 WeakPolarHBondContact O-CB 3.49Å; S194-T224 PolarHBondContact O-N 3.06Å; S194-T224 PolarHBondContact O-OG1 3.27Å
195	L	92.8	Very high	92.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	158.1	179.8	-62.8	176.3	0	0	0	110.5	L117 L189 H190 Q193 I221 E222 Y234 L236	L117-L195 HydrophobicContact CD1-CD1 4.5Å; L117-L195 HydrophobicContact CD2-CD1 4.1Å; L189-L195 CarbonylContact C-O 3.6Å; L189-L195 PolarHBondContact O-N 3.12Å; H190-L195 WeakPolarHBondContact CA-O 3.39Å; H190-L195 PolarHBondContact CD2-O 3.49Å; H190-L195 PolarHBondContact N-O 3.13Å; Q193-L195 HydrophobicContact CB-CB 4.32Å; Q193-L195 HydrophobicContact CB-CD1 3.88Å; Q193-L195 HydrophobicContact CB-CG 3.92Å; Q193-L195 WeakPolarHBondContact O-CG 3.33Å; Q193-L195 PolarHBondContact O-N 3.46Å; L195-I221 HydrophobicContact CB-CG2 3.93Å; L195-I221 HydrophobicContact CD1-CG2 3.93Å; L195-I221 HydrophobicContact CD2-CG2 4.09Å; L195-I221 HydrophobicContact CG-CG2 4.19Å; L195-E222 WeakPolarHBondContact CA-O 3.28Å; L195-Y234 HydrophobicContact CD1-CD2 3.81Å; L195-Y234 HydrophobicContact CD1-CE2 3.82Å; L195-L236 HydrophobicContact CD2-CD1 3.96Å
196	F	92.7	Very high	92.9	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.013	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.8	166.6	68.1	-82.4	0	0	0	110.3	N198 I221 E222 P312 D317	F196-N198 HydrophobicContact CD2-CB 3.8Å; F196-N198 HydrophobicContact CE2-CB 3.68Å; F196-I221 WeakPolarHBondContact O-CA 3.32Å; F196-E222 HydrophobicContact CD1-CB 4.19Å; F196-E222 WeakPolarHBondContact CD1-O 3.27Å; F196-E222 HydrophobicContact CE1-CB 3.43Å; F196-E222 VanDerWaalsContact CE1-CB 3.43Å; F196-E222 HydrophobicContact CE2-CB 4.06Å; F196-E222 HydrophobicContact CZ-CB 3.37Å; F196-E222 HydrophobicContact CZ-CG 4.23Å; F196-E222 PolarHBondContact N-O 3.44Å; F196-E222 PolarHBondContact O-N 3.48Å; F196-E222 VanDerWaalsContact O-N 3.09Å; F196-P312 HydrophobicContact CE2-CB 4.06Å; F196-P312 HydrophobicContact CZ-CB 4.26Å; F196-P312 HydrophobicContact CZ-CG 4.44Å; F196-D317 WeakPolarHBondContact CA-OD2 3.21Å; F196-D317 WeakPolarHBondContact CB-OD2 3.4Å
197	H	93.4	Very high	92.8	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.019	12%	0.115	C	C	.	.			trans	-75.4	-35.7	-168	-171.4	-69.6	0	0	0	113.5	L189 N199 V200 L215 G216 S217 F220 D317	L189-H197 HydrophobicContact CD1-CB 4.18Å; H197-N199 PolarHBondContact ND1-N 3.15Å; H197-N199 PolarHBondContact O-N 2.96Å; H197-V200 HydrophobicContact CB-CG2 3.76Å; H197-L215 HydrophobicContact CB-CD2 4.5Å; H197-L215 WeakPolarHBondContact CD2-CD2 3.4Å; H197-G216 PolarHBondContact CE1-O 3.49Å; H197-G216 VanDerWaalsContact CE1-O 3.28Å; H197-G216 PolarHBondContact NE2-O 3.14Å; H197-S217 PolarHBondContact CE1-O 3.31Å; H197-F220 CarbonylContact O-C 3.58Å; H197-D317 PolarHBondContact N-OD1 2.96Å; H197-D317 PolarHBondContact N-OD2 3.15Å
198	N	91.9	Very high	92.6	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.027	10%	0.099	C	C	.	.	S	Bend	trans	60.9	18.1	173.5	-158.7	23.7	0	0	0	114.8	F196 F220 E222 P240 W241 P251 D317	F196-N198 HydrophobicContact CD2-CB 3.8Å; F196-N198 HydrophobicContact CE2-CB 3.68Å; N198-F220 HydrophobicContact CB-CB 4.37Å; N198-F220 WeakPolarHBondContact CB-O 3.39Å; N198-F220 PolarHBondContact ND2-O 3.06Å; N198-E222 PolarHBondContact ND2-OE1 3.23Å; N198-P240 WeakPolarHBondContact ND2-CG 3.26Å; N198-W241 PolarHBondContact OD1-NE1 3.03Å; N198-P251 VanDerWaalsContact O-CB 3.23Å; N198-P251 WeakPolarHBondContact O-CB 3.47Å; N198-P251 WeakPolarHBondContact O-CG 3.27Å; N198-D317 PolarHBondContact N-OD1 2.93Å
199	N	92.6	Very high	92.2	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	11%	0.107	C	C	.	.			trans	-160.9	34.6	176.9	-168.9	40.1	0	0	0	112.4	H197 S201 S204 F220 P251 D252	H197-N199 PolarHBondContact ND1-N 3.15Å; H197-N199 PolarHBondContact O-N 2.96Å; N199-S201 PolarHBondContact O-N 3.31Å; N199-S204 PolarHBondContact O-OG 3.2Å; N199-S204 VanDerWaalsContact O-OG 3.04Å; N199-F220 HydrophobicContact CB-CB 3.98Å; N199-F220 HydrophobicContact CB-CD2 3.44Å; N199-F220 VanDerWaalsContact CB-CD2 3.44Å; N199-F220 HydrophobicContact CB-CE2 4.26Å; N199-F220 HydrophobicContact CB-CG 3.99Å; N199-F220 WeakPolarHBondContact ND2-CD2 3.33Å; N199-F220 WeakPolarHBondContact ND2-CE2 3.45Å; N199-P251 HydrophobicContact CB-CB 3.96Å; N199-P251 VanDerWaalsContact OD1-CA 3.29Å; N199-P251 WeakPolarHBondContact OD1-CA 3.31Å; N199-P251 WeakPolarHBondContact OD1-CB 3.46Å; N199-D252 PolarHBondContact OD1-N 2.92Å
200	V	95.2	Very high	91.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	14%	0.137	C	C	.	.			trans	-70.2	102.7	179.6	-171.7	0	0	0	0	108	L186 H197 L215 D317 S320 I324	L186-V200 HydrophobicContact CD2-CG2 4.02Å; H197-V200 HydrophobicContact CB-CG2 3.76Å; V200-L215 HydrophobicContact CG1-CD1 4.46Å; V200-L215 HydrophobicContact CG2-CD2 4.48Å; V200-D317 HydrophobicContact CG2-CB 4Å; V200-S320 WeakPolarHBondContact O-CB 3.46Å; V200-I324 HydrophobicContact CB-CD1 4.47Å; V200-I324 HydrophobicContact CG1-CD1 3.6Å
201	S	92	Very high	91.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	15%	0.145	C	C	.	.	S	Bend	trans	-143.6	163.1	-175.1	67.5	0	0	0	0	110.7	N199 S203 S204 I205	N199-S201 PolarHBondContact O-N 3.31Å; S201-S203 PolarHBondContact O-N 3.47Å; S201-S203 VanDerWaalsContact O-N 3.08Å; S201-S203 PolarHBondContact OG-OG 2.94Å; S201-S204 PolarHBondContact N-OG 2.99Å; S201-S204 PolarHBondContact O-N 3.47Å; S201-S204 PolarHBondContact O-OG 2.91Å; S201-S204 PolarHBondContact OG-N 2.86Å; S201-I205 WeakPolarHBondContact O-CG1 3.42Å; S201-I205 PolarHBondContact O-N 2.96Å
202	P	91.9	Very high	91.1	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.039	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.5	174.7	-27	36.5	0	0	0	113.8	L147 A148 L151 S204 Y255 I324	L147-P202 HydrophobicContact CB-CB 4.35Å; L147-P202 HydrophobicContact CD2-CB 4.41Å; L147-P202 HydrophobicContact CG-CB 4.2Å; L147-P202 PolarHBondContact N-O 3.4Å; A148-P202 HydrophobicContact CB-CB 3.94Å; A148-P202 WeakPolarHBondContact CB-O 3.35Å; A148-P202 PolarHBondContact N-O 3.37Å; L151-P202 HydrophobicContact CD1-CB 4.02Å; L151-P202 HydrophobicContact CD1-CG 4.02Å; P202-S204 VanDerWaalsContact C-N 3.34Å; P202-Y255 HydrophobicContact CG-CD1 4.44Å; P202-Y255 HydrophobicContact CG-CD2 4.46Å; P202-Y255 HydrophobicContact CG-CE1 3.76Å; P202-Y255 HydrophobicContact CG-CE2 3.79Å; P202-Y255 VanDerWaalsContact CG-CZ 3.4Å; P202-Y255 WeakPolarHBondContact CG-OH 3.29Å; P202-I324 HydrophobicContact CG-CG1 4.44Å
203	S	91.7	Very high	91.5	Very high	7 Å²	7	19.7 Å²	19.7	5%	0.049	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-24.3	178.6	73.4	0	0	0	0	113.4	G62 S201	G62-S203 PolarHBondContact N-O 3.14Å; G62-S203 WeakPolarHBondContact O-CB 3.39Å; G62-S203 PolarHBondContact O-OG 2.93Å; S201-S203 PolarHBondContact O-N 3.47Å; S201-S203 VanDerWaalsContact O-N 3.08Å; S201-S203 PolarHBondContact OG-OG 2.94Å
204	S	94.8	Very high	91.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-17.7	177.9	70.7	0	0	0	0	112.9	N199 S201 P202 L215 G216	N199-S204 PolarHBondContact O-OG 3.2Å; N199-S204 VanDerWaalsContact O-OG 3.04Å; S201-S204 PolarHBondContact N-OG 2.99Å; S201-S204 PolarHBondContact O-N 3.47Å; S201-S204 PolarHBondContact O-OG 2.91Å; S201-S204 PolarHBondContact OG-N 2.86Å; P202-S204 VanDerWaalsContact C-N 3.34Å; S204-L215 WeakPolarHBondContact OG-CD1 3.5Å; S204-G216 WeakPolarHBondContact CB-O 3.24Å; S204-G216 PolarHBondContact O-N 2.86Å
205	I	96.7	Very high	92	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.5	177.8	-61.4	160.7	0	0	0	109.9	S146 L147 L182 S201 W213 L215 I324	S146-I205 WeakPolarHBondContact CA-O 3.28Å; L147-I205 HydrophobicContact CB-CB 3.96Å; L147-I205 HydrophobicContact CB-CG2 3.98Å; L147-I205 HydrophobicContact CD2-CB 4.22Å; L147-I205 HydrophobicContact CD2-CD1 3.88Å; L147-I205 HydrophobicContact CD2-CG2 4.13Å; L147-I205 PolarHBondContact N-O 3Å; L182-I205 HydrophobicContact CD1-CD1 3.63Å; L182-I205 HydrophobicContact CD1-CG1 4.29Å; L182-I205 HydrophobicContact CD2-CD1 4.26Å; L182-I205 HydrophobicContact CD2-CG1 4.03Å; L182-I205 HydrophobicContact CD2-CG2 4.49Å; S201-I205 WeakPolarHBondContact O-CG1 3.42Å; S201-I205 PolarHBondContact O-N 2.96Å; I205-W213 HydrophobicContact CG2-CD2 4.3Å; I205-W213 HydrophobicContact CG2-CE3 3.77Å; I205-W213 HydrophobicContact CG2-CZ3 4.42Å; I205-L215 HydrophobicContact CG1-CD1 3.78Å; I205-I324 HydrophobicContact CD1-CD1 3.61Å; I205-I324 HydrophobicContact CD1-CG1 4.31Å; I205-I324 HydrophobicContact CD1-CG2 4.11Å
206	L	96.7	Very high	92.1	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	151	177.8	-59.6	175.2	0	0	0	110.1	C61 F84 L123 I143 W213 R214	C61-L206 HydrophobicContact CB-CD2 3.56Å; F84-L206 HydrophobicContact CE1-CD1 3.98Å; F84-L206 HydrophobicContact CZ-CD1 3.83Å; L123-L206 HydrophobicContact CD1-CD1 3.87Å; L123-L206 HydrophobicContact CD2-CD1 3.75Å; L123-L206 HydrophobicContact CG-CD1 4.34Å; I143-L206 HydrophobicContact CD1-CB 4.19Å; I143-L206 HydrophobicContact CD1-CD1 4.46Å; I143-L206 HydrophobicContact CG1-CD1 4.41Å; I143-L206 HydrophobicContact CG2-CB 4.25Å; I143-L206 HydrophobicContact CG2-CD2 4.41Å; L206-W213 CarbonylContact O-C 3.57Å; L206-W213 WeakPolarHBondContact O-CA 3.12Å; L206-R214 HydrophobicContact CB-CB 4.44Å; L206-R214 PolarHBondContact N-O 3.36Å; L206-R214 PolarHBondContact O-N 3.43Å
207	I	94.5	Very high	91.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.5	179	-58	-175.7	0	0	0	108	F144 S145 I150 F170 Q212 W213	F144-I207 WeakPolarHBondContact CA-O 3.33Å; F144-I207 WeakPolarHBondContact CB-O 3.37Å; F144-I207 PolarHBondContact N-O 3.21Å; S145-I207 PolarHBondContact N-O 3.48Å; S145-I207 PolarHBondContact O-N 2.72Å; I150-I207 HydrophobicContact CD1-CD1 3.68Å; F170-I207 HydrophobicContact CE1-CD1 3.62Å; F170-I207 HydrophobicContact CZ-CD1 3.37Å; I207-Q212 CarbonylContact C-O 3.39Å; I207-Q212 WeakPolarHBondContact CA-O 3.31Å; I207-W213 HydrophobicContact CD1-CZ2 4.33Å; I207-W213 HydrophobicContact CG1-CG 4.34Å
208	T	92	Very high	91.8	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	165.3	177.9	71.9	0	0	0	0	111.3	E141 R142 I143 Q210 N211 Q212 R214	E141-T208 HydrophobicContact CG-CG2 4.33Å; R142-T208 WeakPolarHBondContact O-CA 3.49Å; R142-T208 WeakPolarHBondContact O-CB 3.49Å; I143-T208 HydrophobicContact CD1-CG2 4.1Å; T208-Q210 PolarHBondContact O-N 2.78Å; T208-Q210 VanDerWaalsContact O-N 3.11Å; T208-Q210 PolarHBondContact OG1-N 3.09Å; T208-N211 WeakPolarHBondContact O-CA 3.5Å; T208-N211 PolarHBondContact O-N 3.5Å; T208-Q212 HydrophobicContact CG2-CB 4.15Å; T208-Q212 PolarHBondContact N-O 3.48Å; T208-Q212 WeakPolarHBondContact OG1-CB 3.18Å; T208-Q212 PolarHBondContact OG1-N 3.5Å; T208-Q212 VanDerWaalsContact OG1-N 3.1Å; T208-R214 HydrophobicContact CG2-CG 3.67Å
209	H	85.1	Confident	91.7	Very high	81 Å²	81	15.9 Å²	15.9	38%	0.375	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.4	171	-86.3	-89.4	0	0	0	113.8	R142 I143 N211	R142-H209 VanDerWaalsContact CD-CD2 3.44Å; R142-H209 WeakPolarHBondContact CD-CD2 3.44Å; R142-H209 PolarHBondContact O-N 3.11Å; I143-H209 PolarHBondContact O-CD2 3.32Å; I143-H209 VanDerWaalsContact O-CD2 3.23Å; I143-H209 PolarHBondContact O-NE2 3.48Å; H209-N211 VanDerWaalsContact C-N 3.27Å
210	Q	79.4	Confident	91.6	Very high	137 Å²	137	15.7 Å²	15.7	64%	0.64	8%	0.077	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	12.1	174.2	-64.3	172	-11.5	0	0	112.5	T208 Q212	T208-Q210 PolarHBondContact O-N 2.78Å; T208-Q210 VanDerWaalsContact O-N 3.11Å; T208-Q210 PolarHBondContact OG1-N 3.09Å; Q210-Q212 HydrophobicContact CB-CG 4.04Å; Q210-Q212 PolarHBondContact O-N 3.47Å; Q210-Q212 PolarHBondContact O-NE2 3.39Å
211	N	84.3	Confident	91.5	Very high	44 Å²	44	15.7 Å²	15.7	24%	0.235	8%	0.077	C	C	.	.	S	Bend	trans	59	28.1	-175.8	-63	-60.6	0	0	0	114.5	T208 H209 R515	T208-N211 WeakPolarHBondContact O-CA 3.5Å; T208-N211 PolarHBondContact O-N 3.5Å; H209-N211 VanDerWaalsContact C-N 3.27Å; N211-R515 VanDerWaalsContact CB-NH2 3.29Å; N211-R515 PolarHBondContact ND2-NH2 2.96Å
212	Q	89	Confident	91.4	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.023	8%	0.084	C	C	.	.			trans	-90.5	138	175.2	-52.8	-53.7	-42.9	0	0	110.3	I207 T208 Q210 I483	I207-Q212 CarbonylContact C-O 3.39Å; I207-Q212 WeakPolarHBondContact CA-O 3.31Å; T208-Q212 HydrophobicContact CG2-CB 4.15Å; T208-Q212 PolarHBondContact N-O 3.48Å; T208-Q212 WeakPolarHBondContact OG1-CB 3.18Å; T208-Q212 PolarHBondContact OG1-N 3.5Å; T208-Q212 VanDerWaalsContact OG1-N 3.1Å; Q210-Q212 HydrophobicContact CB-CG 4.04Å; Q210-Q212 PolarHBondContact O-N 3.47Å; Q210-Q212 PolarHBondContact O-NE2 3.39Å; Q212-I483 VanDerWaalsContact CD-CG2 3.4Å; Q212-I483 HydrophobicContact CG-CG2 4.01Å
213	W	94.7	Very high	91.1	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.011	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.3	-179.2	-69.6	37.8	0	0	0	109.4	L147 F170 L182 I205 L206 I207 L328	L147-W213 HydrophobicContact CD1-CH2 4.31Å; L147-W213 HydrophobicContact CD2-CH2 4.27Å; L147-W213 HydrophobicContact CD2-CZ3 3.98Å; F170-W213 AromaticContact CE1-CZ2 3.96Å; F170-W213 HydrophobicContact CE1-CZ2 3.96Å; F170-W213 AromaticContact CZ-CZ2 3.99Å; F170-W213 HydrophobicContact CZ-CZ2 3.99Å; L182-W213 HydrophobicContact CD1-CE3 3.76Å; L182-W213 HydrophobicContact CD1-CZ3 3.94Å; L182-W213 HydrophobicContact CG-CE3 4.15Å; I205-W213 HydrophobicContact CG2-CD2 4.3Å; I205-W213 HydrophobicContact CG2-CE3 3.77Å; I205-W213 HydrophobicContact CG2-CZ3 4.42Å; L206-W213 CarbonylContact O-C 3.57Å; L206-W213 WeakPolarHBondContact O-CA 3.12Å; I207-W213 HydrophobicContact CD1-CZ2 4.33Å; I207-W213 HydrophobicContact CG1-CG 4.34Å; W213-L328 HydrophobicContact CH2-CD1 3.53Å; W213-L328 HydrophobicContact CH2-CD2 3.55Å; W213-L328 HydrophobicContact CH2-CG 4.18Å; W213-L328 HydrophobicContact CZ2-CD2 4.34Å; W213-L328 HydrophobicContact CZ3-CD1 3.91Å; W213-L328 HydrophobicContact CZ3-CD2 4.42Å
214	R	95.5	Very high	90.6	Very high	25 Å²	25	21.2 Å²	21.2	9%	0.094	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.3	-178	-58.4	-62.6	178.7	123.7	-10.2	108.8	P120 N121 M122 L123 E141 L206 T208	P120-R214 PolarHBondContact O-NE 3.05Å; P120-R214 PolarHBondContact O-NH1 3.16Å; P120-R214 PolarHBondContact O-NH2 2.97Å; N121-R214 WeakPolarHBondContact O-CA 3.44Å; M122-R214 PolarHBondContact O-NH1 3.44Å; L123-R214 HydrophobicContact CB-CB 4.44Å; L123-R214 HydrophobicContact CD1-CB 4.46Å; E141-R214 VanDerWaalsContact CD-NH1 3.29Å; E141-R214 WeakPolarHBondContact OE1-CD 3.23Å; E141-R214 WeakPolarHBondContact OE1-CG 3.44Å; E141-R214 IonicContact OE1-CZ 2.73Å; E141-R214 VanDerWaalsContact OE1-CZ 3.25Å; E141-R214 IonicContact OE1-NE 3.44Å; E141-R214 PolarHBondContact OE1-NE 3.36Å; E141-R214 IonicContact OE1-NH1 3.95Å; E141-R214 PolarHBondContact OE1-NH1 2.97Å; E141-R214 IonicContact OE2-CZ 2.66Å; E141-R214 IonicContact OE2-NE 2.82Å; E141-R214 PolarHBondContact OE2-NE 3.35Å; E141-R214 IonicContact OE2-NH1 2.66Å; E141-R214 PolarHBondContact OE2-NH1 3.36Å; E141-R214 VanDerWaalsContact OE2-NH1 3.15Å; E141-R214 IonicContact OE2-NH2 2.78Å; E141-R214 PolarHBondContact OE2-NH2 3.18Å; L206-R214 HydrophobicContact CB-CB 4.44Å; L206-R214 PolarHBondContact N-O 3.36Å; L206-R214 PolarHBondContact O-N 3.43Å; T208-R214 HydrophobicContact CG2-CG 3.67Å
215	L	96.1	Very high	89.4	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.2	171.6	-166.7	61.4	0	0	0	109.6	N121 M122 L123 L182 L185 H197 V200 S204 I205	N121-L215 PolarHBondContact O-N 2.95Å; N121-L215 VanDerWaalsContact O-N 3.13Å; M122-L215 VanDerWaalsContact CG-O 3.29Å; M122-L215 WeakPolarHBondContact CG-O 3.41Å; L123-L215 PolarHBondContact N-O 3.31Å; L182-L215 HydrophobicContact CD2-CB 4.44Å; L182-L215 HydrophobicContact CD2-CD1 4.47Å; L185-L215 HydrophobicContact CD2-CB 3.24Å; L185-L215 HydrophobicContact CD2-CD2 3.55Å; L185-L215 HydrophobicContact CD2-CG 4.02Å; L185-L215 HydrophobicContact CG-CD2 4.49Å; H197-L215 HydrophobicContact CB-CD2 4.5Å; H197-L215 WeakPolarHBondContact CD2-CD2 3.4Å; V200-L215 HydrophobicContact CG1-CD1 4.46Å; V200-L215 HydrophobicContact CG2-CD2 4.48Å; S204-L215 WeakPolarHBondContact OG-CD1 3.5Å; I205-L215 HydrophobicContact CG1-CD1 3.78Å
216	G	93.8	Very high	87.6	Confident	3 Å²	3	30.4 Å²	30.4	3%	0.031	16%	0.162	C	C	.	.			trans	-119.6	-160.9	170.4	0	0	0	0	0	111.3	H197 S204 A218	H197-G216 PolarHBondContact CE1-O 3.49Å; H197-G216 VanDerWaalsContact CE1-O 3.28Å; H197-G216 PolarHBondContact NE2-O 3.14Å; S204-G216 WeakPolarHBondContact CB-O 3.24Å; S204-G216 PolarHBondContact O-N 2.86Å; G216-A218 VanDerWaalsContact C-N 3.34Å
217	S	89.5	Confident	85.6	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.049	20%	0.197	C	C	.	.			trans	60.8	40.3	-177.5	-48.2	0	0	0	0	113.5	D110 H197 A219	D110-S217 WeakPolarHBondContact OD1-CA 3.06Å; D110-S217 PolarHBondContact OD1-N 3.37Å; D110-S217 WeakPolarHBondContact OD2-CA 3.03Å; H197-S217 PolarHBondContact CE1-O 3.31Å; S217-A219 PolarHBondContact O-N 3.07Å; S217-A219 VanDerWaalsContact O-N 3.13Å
218	A	90.5	Very high	83.5	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.008	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-65	-9.1	178.2	0	0	0	0	0	113.3	D110 L113 L114 G216 F220 I221	D110-A218 PolarHBondContact OD1-N 3.26Å; L113-A218 HydrophobicContact CB-CB 3.94Å; L113-A218 VanDerWaalsContact CD1-O 3.22Å; L113-A218 WeakPolarHBondContact CD1-O 3.4Å; L114-A218 HydrophobicContact CD2-CB 3.73Å; L114-A218 HydrophobicContact CG-CB 3.77Å; G216-A218 VanDerWaalsContact C-N 3.34Å; A218-F220 PolarHBondContact O-N 3.07Å; A218-I221 HydrophobicContact CB-CD1 3.63Å; A218-I221 HydrophobicContact CB-CG1 4.42Å; A218-I221 WeakPolarHBondContact O-CB 3.39Å; A218-I221 WeakPolarHBondContact O-CD1 3.47Å; A218-I221 VanDerWaalsContact O-CG1 3.23Å; A218-I221 WeakPolarHBondContact O-CG1 3.29Å; A218-I221 PolarHBondContact O-N 3.01Å; A218-I221 VanDerWaalsContact O-N 3.14Å
219	A	89.3	Confident	81.4	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.008	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55.6	-18.8	-179.8	0	0	0	0	0	114.7	V106 R109 D110 S217	V106-A219 HydrophobicContact CG1-CB 3.64Å; V106-A219 VanDerWaalsContact O-CB 3.23Å; V106-A219 WeakPolarHBondContact O-CB 3.36Å; R109-A219 PolarHBondContact NE-O 2.92Å; R109-A219 PolarHBondContact NH1-O 3.14Å; R109-A219 PolarHBondContact NH2-O 3.13Å; D110-A219 HydrophobicContact CB-CB 3.79Å; D110-A219 PolarHBondContact OD1-N 3.23Å; S217-A219 PolarHBondContact O-N 3.07Å; S217-A219 VanDerWaalsContact O-N 3.13Å
220	F	91.9	Very high	79.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-102	1.6	-175.8	-54.1	-70.4	0	0	0	114.1	P63 V106 H197 N198 N199 A218 E222 P240 A249 P251	P63-F220 HydrophobicContact CG-CE2 3.59Å; P63-F220 HydrophobicContact CG-CZ 3.71Å; V106-F220 HydrophobicContact CG1-CE1 3.91Å; V106-F220 HydrophobicContact CG1-CZ 3.94Å; H197-F220 CarbonylContact O-C 3.58Å; N198-F220 HydrophobicContact CB-CB 4.37Å; N198-F220 WeakPolarHBondContact CB-O 3.39Å; N198-F220 PolarHBondContact ND2-O 3.06Å; N199-F220 HydrophobicContact CB-CB 3.98Å; N199-F220 HydrophobicContact CB-CD2 3.44Å; N199-F220 VanDerWaalsContact CB-CD2 3.44Å; N199-F220 HydrophobicContact CB-CE2 4.26Å; N199-F220 HydrophobicContact CB-CG 3.99Å; N199-F220 WeakPolarHBondContact ND2-CD2 3.33Å; N199-F220 WeakPolarHBondContact ND2-CE2 3.45Å; A218-F220 PolarHBondContact O-N 3.07Å; F220-E222 PolarHBondContact O-N 3.03Å; F220-P240 HydrophobicContact CB-CG 4.29Å; F220-P240 HydrophobicContact CD1-CB 3.59Å; F220-P240 HydrophobicContact CD1-CG 4.02Å; F220-P240 HydrophobicContact CE1-CB 4.24Å; F220-A249 WeakPolarHBondContact CE1-O 3.15Å; F220-P251 HydrophobicContact CB-CG 4.24Å; F220-P251 HydrophobicContact CD1-CG 3.82Å; F220-P251 HydrophobicContact CE1-CG 4.34Å; F220-P251 HydrophobicContact CG-CB 4.48Å; F220-P251 HydrophobicContact CG-CG 3.96Å
221	I	92.2	Very high	78.1	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.296	C	S	.	.			trans	-54.7	135.5	-179.7	-70.3	170.1	0	0	0	110.8	L113 L117 L195 F196 A218 L236	L113-I221 HydrophobicContact CD1-CB 4.47Å; L117-I221 HydrophobicContact CD1-CD1 3.53Å; L195-I221 HydrophobicContact CB-CG2 3.93Å; L195-I221 HydrophobicContact CD1-CG2 3.93Å; L195-I221 HydrophobicContact CD2-CG2 4.09Å; L195-I221 HydrophobicContact CG-CG2 4.19Å; F196-I221 WeakPolarHBondContact O-CA 3.32Å; A218-I221 HydrophobicContact CB-CD1 3.63Å; A218-I221 HydrophobicContact CB-CG1 4.42Å; A218-I221 WeakPolarHBondContact O-CB 3.39Å; A218-I221 WeakPolarHBondContact O-CD1 3.47Å; A218-I221 VanDerWaalsContact O-CG1 3.23Å; A218-I221 WeakPolarHBondContact O-CG1 3.29Å; A218-I221 PolarHBondContact O-N 3.01Å; A218-I221 VanDerWaalsContact O-N 3.14Å; I221-L236 HydrophobicContact CG2-CD2 4.08Å
222	E	88.9	Confident	76.7	Confident	34 Å²	34	57.9 Å²	57.9	16%	0.159	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.6	175.5	-79.8	-172.1	-157	0	0	110.6	L195 F196 N198 F220 S239 P240	L195-E222 WeakPolarHBondContact CA-O 3.28Å; F196-E222 HydrophobicContact CD1-CB 4.19Å; F196-E222 WeakPolarHBondContact CD1-O 3.27Å; F196-E222 HydrophobicContact CE1-CB 3.43Å; F196-E222 VanDerWaalsContact CE1-CB 3.43Å; F196-E222 HydrophobicContact CE2-CB 4.06Å; F196-E222 HydrophobicContact CZ-CB 3.37Å; F196-E222 HydrophobicContact CZ-CG 4.23Å; F196-E222 PolarHBondContact N-O 3.44Å; F196-E222 PolarHBondContact O-N 3.48Å; F196-E222 VanDerWaalsContact O-N 3.09Å; N198-E222 PolarHBondContact ND2-OE1 3.23Å; F220-E222 PolarHBondContact O-N 3.03Å; E222-S239 WeakPolarHBondContact OE1-CA 3.49Å; E222-S239 VanDerWaalsContact OE1-CB 3.25Å; E222-S239 WeakPolarHBondContact OE1-CB 3.49Å; E222-S239 PolarHBondContact OE1-OG 3.15Å; E222-P240 WeakPolarHBondContact OE1-CD 3.4Å
223	S	86.6	Confident	75.7	Confident	38 Å²	38	64.6 Å²	64.6	27%	0.266	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.6	176.5	178.3	0	0	0	0	111.1	C225	S223-C225 PolarHBondContact OG-N 3.4Å; S223-C225 VanDerWaalsContact OG-N 3.13Å; S223-C225 PolarHBondContact OG-O 3.31Å; S223-C225 VanDerWaalsContact OG-O 3.1Å
224	T	81.4	Confident	74.6	Confident	58 Å²	58	65.7 Å²	65.7	36%	0.356	33%	0.333	S	S	.	.	S	Bend	trans	-76.1	-27.4	172	-51.2	0	0	0	0	111.4	S194 P314	S194-T224 WeakPolarHBondContact O-CB 3.49Å; S194-T224 PolarHBondContact O-N 3.06Å; S194-T224 PolarHBondContact O-OG1 3.27Å; T224-P314 HydrophobicContact CG2-CG 3.78Å
225	C	69.8	Low	73.4	Confident	59 Å²	59	70.5 Å²	70.5	40%	0.399	36%	0.356	S	S	.	.			trans	-87.5	121.7	178	-62	0	0	0	0	110.6	S223	S223-C225 PolarHBondContact OG-N 3.4Å; S223-C225 VanDerWaalsContact OG-N 3.13Å; S223-C225 PolarHBondContact OG-O 3.31Å; S223-C225 VanDerWaalsContact OG-O 3.1Å
226	L	59.1	Low	72.5	Confident	134 Å²	134	72.6 Å²	72.6	70%	0.702	37%	0.367	S	S	*	.			trans	-84.6	-16.6	177.9	-73.9	165.7	0	0	0	113.3	K228 K311	L226-K228 PolarHBondContact O-N 2.92Å; L226-K311 HydrophobicContact CD1-CD 4.49Å
227	E	54.2	Low	71.2	Confident	161 Å²	161	73.8 Å²	73.8	75%	0.752	38%	0.379	S	S	*	.			trans	-70.7	114.7	-177.6	-65.8	-170.3	-178.5	0	0	109.7	H229 D230	E227-H229 PolarHBondContact O-N 3.42Å; E227-D230 PolarHBondContact O-N 3.34Å
228	K	50.4	Low	70.1	Confident	196 Å²	196	77.7 Å²	77.7	85%	0.852	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	2.9	-171.3	-66.8	-178	175.8	-180	0	115.6	L226	L226-K228 PolarHBondContact O-N 2.92Å
229	H	47.2	Very low	69.3	Low	171 Å²	171	80.1 Å²	80.1	79%	0.792	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-20.2	-172.4	-73.9	-59.4	0	0	0	114.7	E227 I231	E227-H229 PolarHBondContact O-N 3.42Å; H229-I231 VanDerWaalsContact C-N 3.26Å; H229-I231 PolarHBondContact O-N 3.42Å
230	D	46.8	Very low	68.6	Low	124 Å²	124	80.1 Å²	80.1	66%	0.663	42%	0.422	S	S	*	.	S	Bend	trans	-80.2	89.6	163.8	-74.2	-19.1	0	0	0	106.7	E227 S232	E227-D230 PolarHBondContact O-N 3.34Å; D230-S232 PolarHBondContact O-N 3.5Å
231	I	48.7	Very low	67.7	Low	156 Å²	156	80.3 Å²	80.3	80%	0.8	42%	0.422	S	S	*	.			trans	-55.3	94.5	165.5	-58.7	166.1	0	0	0	104.6	H229 Q233	H229-I231 VanDerWaalsContact C-N 3.26Å; H229-I231 PolarHBondContact O-N 3.42Å; I231-Q233 PolarHBondContact O-N 3.37Å
232	S	55.7	Low	66.8	Low	38 Å²	38	81.4 Å²	81.4	27%	0.266	43%	0.429	S	S	.	.			trans	-51.4	120.2	164.8	57.4	0	0	0	0	104.5	D230 Y234 L236	D230-S232 PolarHBondContact O-N 3.5Å; S232-Y234 CarbonylContact O-C 3.58Å; S232-Y234 PolarHBondContact O-N 3.14Å; S232-Y234 PolarHBondContact OG-O 3.36Å; S232-Y234 VanDerWaalsContact OG-O 3.06Å; S232-L236 WeakPolarHBondContact OG-CD1 3.44Å
233	Q	66.6	Low	65.7	Low	146 Å²	146	84.4 Å²	84.4	68%	0.682	44%	0.439	S	S	*	.	S	Bend	trans	-51.2	-11.4	177.6	53	-171.8	-17.2	0	0	113.4	I231	I231-Q233 PolarHBondContact O-N 3.37Å
234	Y	72.3	Confident	65	Low	25 Å²	25	89.5 Å²	89.5	10%	0.098	46%	0.456	C	S	.	.	S	Bend	trans	-95.1	133.8	174.7	-45.6	-68	0	0	0	111.5	L113 Q116 L117 Q193 L195 S232 L236	L113-Y234 HydrophobicContact CD2-CD1 4.49Å; Q116-Y234 HydrophobicContact CB-CD1 4.13Å; Q116-Y234 HydrophobicContact CB-CE1 4.07Å; L117-Y234 HydrophobicContact CD2-CE1 3.84Å; L117-Y234 HydrophobicContact CD2-CE2 4.05Å; L117-Y234 WeakPolarHBondContact CD2-OH 3.46Å; L117-Y234 HydrophobicContact CG-CE1 4.15Å; Q193-Y234 PolarHBondContact OE1-OH 3.47Å; L195-Y234 HydrophobicContact CD1-CD2 3.81Å; L195-Y234 HydrophobicContact CD1-CE2 3.82Å; S232-Y234 CarbonylContact O-C 3.58Å; S232-Y234 PolarHBondContact O-N 3.14Å; S232-Y234 PolarHBondContact OG-O 3.36Å; S232-Y234 VanDerWaalsContact OG-O 3.06Å; Y234-L236 VanDerWaalsContact C-N 3.31Å; Y234-L236 PolarHBondContact O-N 2.99Å
235	E	70.3	Confident	64.8	Low	126 Å²	126	88.9 Å²	88.9	59%	0.589	45%	0.447	S	S	*	.			trans	-73	85.3	170.1	-76.1	176.6	-146.8	0	0	110.3	R112	R112-E235 IonicContact CZ-OE1 3.26Å; R112-E235 IonicContact CZ-OE2 2.62Å; R112-E235 IonicContact NH1-OE1 3.62Å; R112-E235 PolarHBondContact NH1-OE1 2.7Å; R112-E235 IonicContact NH1-OE2 3.47Å; R112-E235 PolarHBondContact NH1-OE2 3.38Å; R112-E235 IonicContact NH2-OE1 2.68Å; R112-E235 PolarHBondContact NH2-OE1 2.89Å; R112-E235 IonicContact NH2-OE2 3.37Å; R112-E235 PolarHBondContact NH2-OE2 3.21Å
236	L	77.2	Confident	65.3	Low	46 Å²	46	86.1 Å²	86.1	24%	0.241	43%	0.429	C	S	.	.			trans	-77	133	176.5	-57.1	178.9	0	0	0	110.2	L195 I221 S232 Y234	L195-L236 HydrophobicContact CD2-CD1 3.96Å; I221-L236 HydrophobicContact CG2-CD2 4.08Å; S232-L236 WeakPolarHBondContact OG-CD1 3.44Å; Y234-L236 VanDerWaalsContact C-N 3.31Å; Y234-L236 PolarHBondContact O-N 2.99Å
237	G	66.3	Low	66.2	Low	27 Å²	27	86.6 Å²	86.6	28%	0.278	43%	0.425	S	S	.	.			trans	-83.2	178.5	-180	0	0	0	0	0	113.1
238	P	67.3	Low	67.5	Low	90 Å²	90	79 Å²	79	58%	0.584	39%	0.39	S	S	*	.	S	Bend	trans	-62.6	156.9	174.1	29.8	-35.5	0	0	0	110.8	W245	P238-W245 HydrophobicContact CG-CH2 3.8Å; P238-W245 HydrophobicContact CG-CZ2 3.74Å
239	S	72.3	Confident	69.1	Low	51 Å²	51	69.7 Å²	69.7	36%	0.357	35%	0.349	S	S	.	.			trans	-55.1	130.4	179.4	-172.7	0	0	0	0	110.9	E222 W241	E222-S239 WeakPolarHBondContact OE1-CA 3.49Å; E222-S239 VanDerWaalsContact OE1-CB 3.25Å; E222-S239 WeakPolarHBondContact OE1-CB 3.49Å; E222-S239 PolarHBondContact OE1-OG 3.15Å; S239-W241 PolarHBondContact O-N 2.67Å
240	P	74.9	Confident	71	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.013	32%	0.32	C	S	.	.	S	Bend	trans	-78.8	-10.1	-169.6	35.8	-36.3	0	0	0	112.3	N198 F220 E222 T242 W245 P251	N198-P240 WeakPolarHBondContact ND2-CG 3.26Å; F220-P240 HydrophobicContact CB-CG 4.29Å; F220-P240 HydrophobicContact CD1-CB 3.59Å; F220-P240 HydrophobicContact CD1-CG 4.02Å; F220-P240 HydrophobicContact CE1-CB 4.24Å; E222-P240 WeakPolarHBondContact OE1-CD 3.4Å; P240-T242 VanDerWaalsContact C-N 3.26Å; P240-T242 PolarHBondContact O-N 2.87Å; P240-W245 HydrophobicContact CB-CZ3 4.37Å; P240-P251 HydrophobicContact CB-CG 4.07Å; P240-P251 HydrophobicContact CG-CG 3.74Å
241	W	74	Confident	72.8	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.011	29%	0.291	C	S	.	.			trans	-78	67.8	179.4	-63.9	113.2	0	0	0	112.2	N198 S239 P251 S256 C260 L261 L263 I264 N267	N198-W241 PolarHBondContact OD1-NE1 3.03Å; S239-W241 PolarHBondContact O-N 2.67Å; W241-P251 HydrophobicContact CD2-CG 4.33Å; W241-P251 HydrophobicContact CH2-CB 3.59Å; W241-P251 HydrophobicContact CH2-CG 3.85Å; W241-P251 HydrophobicContact CZ2-CB 3.57Å; W241-P251 HydrophobicContact CZ2-CG 3.57Å; W241-P251 HydrophobicContact CZ3-CB 4.37Å; W241-P251 HydrophobicContact CZ3-CG 4.34Å; W241-S256 WeakPolarHBondContact CH2-OG 3.37Å; W241-S256 VanDerWaalsContact CZ2-OG 3.31Å; W241-S256 WeakPolarHBondContact CZ2-OG 3.46Å; W241-C260 HydrophobicContact CD2-CB 4.32Å; W241-C260 HydrophobicContact CH2-CB 4.45Å; W241-C260 HydrophobicContact CZ2-CB 3.7Å; W241-L261 HydrophobicContact CE3-CD2 4.27Å; W241-L261 HydrophobicContact CH2-CD2 4.14Å; W241-L261 HydrophobicContact CZ3-CD2 3.74Å; W241-L263 HydrophobicContact CB-CB 4.23Å; W241-I264 HydrophobicContact CB-CG1 4.32Å; W241-I264 HydrophobicContact CE3-CD1 3.76Å; W241-I264 HydrophobicContact CE3-CG1 4.11Å; W241-I264 HydrophobicContact CZ3-CD1 4.17Å; W241-N267 PolarHBondContact O-ND2 3.48Å
242	T	72.2	Confident	74.5	Confident	24 Å²	24	52.4 Å²	52.4	15%	0.147	26%	0.263	C	S	.	.			trans	-131.8	133.6	179.2	-178.3	0	0	0	0	113.2	P240 K244 W245 Q250	P240-T242 VanDerWaalsContact C-N 3.26Å; P240-T242 PolarHBondContact O-N 2.87Å; T242-K244 PolarHBondContact O-N 3.27Å; T242-K244 PolarHBondContact OG1-N 2.93Å; T242-W245 HydrophobicContact CG2-CB 3.86Å; T242-W245 HydrophobicContact CG2-CD2 3.64Å; T242-W245 HydrophobicContact CG2-CE3 4.24Å; T242-W245 HydrophobicContact CG2-CG 3.41Å; T242-W245 VanDerWaalsContact CG2-CG 3.41Å; T242-W245 PolarHBondContact O-N 3.19Å; T242-Q250 PolarHBondContact O-NE2 3.43Å
243	R	66.9	Low	75.7	Confident	98 Å²	98	53.4 Å²	53.4	37%	0.37	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.4	175	-61.4	-174.4	-171.9	-178.9	0.5	113.3	W245 I264 N265 W418	R243-W245 VanDerWaalsContact C-N 3.3Å; R243-I264 HydrophobicContact CG-CG2 3.61Å; R243-I264 PolarHBondContact NE-O 3.3Å; R243-I264 PolarHBondContact NH2-O 3.44Å; R243-N265 PolarHBondContact NH2-OD1 3.31Å; R243-W418 VanDerWaalsContact NH2-CZ2 3.27Å
244	K	72.1	Confident	76.2	Confident	144 Å²	144	49.7 Å²	49.7	63%	0.626	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.9	-178.6	-65.2	-177.5	179.2	177.2	0	111.9	T242	T242-K244 PolarHBondContact O-N 3.27Å; T242-K244 PolarHBondContact OG1-N 2.93Å
245	W	76.3	Confident	76.9	Confident	45 Å²	45	49.1 Å²	49.1	17%	0.17	25%	0.25	C	S	.	.	S	Bend	trans	-87.8	151.1	-175.4	-72.5	9.5	0	0	0	112	I102 V106 P238 P240 T242 R243 A249 Q250	I102-W245 HydrophobicContact CG2-CD2 3.89Å; I102-W245 HydrophobicContact CG2-CE3 4.43Å; I102-W245 HydrophobicContact CG2-CG 3.97Å; V106-W245 HydrophobicContact CG2-CE3 4.47Å; V106-W245 HydrophobicContact CG2-CH2 4.38Å; V106-W245 HydrophobicContact CG2-CZ3 3.94Å; P238-W245 HydrophobicContact CG-CH2 3.8Å; P238-W245 HydrophobicContact CG-CZ2 3.74Å; P240-W245 HydrophobicContact CB-CZ3 4.37Å; T242-W245 HydrophobicContact CG2-CB 3.86Å; T242-W245 HydrophobicContact CG2-CD2 3.64Å; T242-W245 HydrophobicContact CG2-CE3 4.24Å; T242-W245 HydrophobicContact CG2-CG 3.41Å; T242-W245 VanDerWaalsContact CG2-CG 3.41Å; T242-W245 PolarHBondContact O-N 3.19Å; R243-W245 VanDerWaalsContact C-N 3.3Å; W245-A249 HydrophobicContact CB-CB 4.35Å; W245-A249 HydrophobicContact CE3-CB 4.25Å; W245-A249 VanDerWaalsContact CE3-O 3.29Å; W245-Q250 HydrophobicContact CB-CG 4.27Å; W245-Q250 PolarHBondContact O-NE2 3.48Å
246	P	79.5	Confident	77.6	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.013	22%	0.224	C	C	.	.			trans	-64.5	158.1	171.2	26.9	-33.5	0	0	0	111.8	H95 R99 V103 M248 A249 Q250	H95-P246 HydrophobicContact CB-CB 4.33Å; H95-P246 WeakPolarHBondContact CD2-CB 3.37Å; H95-P246 WeakPolarHBondContact NE2-CB 3.41Å; R99-P246 HydrophobicContact CB-CB 4.32Å; R99-P246 HydrophobicContact CB-CG 4Å; V103-P246 HydrophobicContact CG2-CB 4.33Å; V103-P246 HydrophobicContact CG2-CG 3.5Å; V103-P246 VanDerWaalsContact CG2-CG 3.5Å; P246-M248 VanDerWaalsContact C-N 3.25Å; P246-M248 PolarHBondContact O-N 3.31Å; P246-A249 HydrophobicContact CG-CB 3.75Å; P246-A249 CarbonylContact O-C 3.58Å; P246-A249 PolarHBondContact O-N 2.64Å; P246-Q250 PolarHBondContact O-N 2.97Å
247	K	78	Confident	78.1	Confident	143 Å²	143	41.2 Å²	41.2	62%	0.622	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-56.9	-38.6	177.3	-70.5	-173.7	176.5	-175.2	0	112.7	E64 A249 Q250	E64-K247 HydrophobicContact CG-CB 4.44Å; K247-A249 PolarHBondContact O-N 3.47Å; K247-A249 VanDerWaalsContact O-N 3.11Å; K247-Q250 PolarHBondContact O-N 2.89Å
248	M	81.9	Confident	78.8	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.2	-14.5	176	-65.8	167	68.8	0	0	114	P63 E64 I66 F86 I90 A91 L94 V103 P246	P63-M248 WeakPolarHBondContact CB-O 3.48Å; E64-M248 HydrophobicContact CB-CG 4.11Å; E64-M248 HydrophobicContact CG-CG 4.13Å; I66-M248 HydrophobicContact CB-CE 4.17Å; I66-M248 HydrophobicContact CG2-CE 3.33Å; I66-M248 HydrophobicContact CG2-CG 3.97Å; I66-M248 HydrophobicContact CG2-SD 4.28Å; F86-M248 HydrophobicContact CE2-CE 3.73Å; F86-M248 HydrophobicContact CZ-CE 4.13Å; I90-M248 HydrophobicContact CG2-CE 4.26Å; A91-M248 HydrophobicContact CB-CE 4.05Å; A91-M248 HydrophobicContact CB-SD 4.41Å; L94-M248 HydrophobicContact CB-SD 4.26Å; L94-M248 HydrophobicContact CD1-SD 3.83Å; V103-M248 HydrophobicContact CG1-CB 4.18Å; V103-M248 HydrophobicContact CG1-CE 4.11Å; V103-M248 HydrophobicContact CG2-CB 3.97Å; P246-M248 VanDerWaalsContact C-N 3.25Å; P246-M248 PolarHBondContact O-N 3.31Å
249	A	85.6	Confident	79.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-110.2	12.7	176.4	0	0	0	0	0	112.2	I102 V103 V106 F220 W245 P246 K247	I102-A249 HydrophobicContact CG2-CB 4.06Å; V103-A249 HydrophobicContact CG2-CB 4.24Å; V106-A249 HydrophobicContact CG2-CB 4.12Å; F220-A249 WeakPolarHBondContact CE1-O 3.15Å; W245-A249 HydrophobicContact CB-CB 4.35Å; W245-A249 HydrophobicContact CE3-CB 4.25Å; W245-A249 VanDerWaalsContact CE3-O 3.29Å; P246-A249 HydrophobicContact CG-CB 3.75Å; P246-A249 CarbonylContact O-C 3.58Å; P246-A249 PolarHBondContact O-N 2.64Å; K247-A249 PolarHBondContact O-N 3.47Å; K247-A249 VanDerWaalsContact O-N 3.11Å
250	Q	85.3	Confident	79.9	Confident	38 Å²	38	34.2 Å²	34.2	18%	0.178	16%	0.161	C	C	.	.	S	Bend	trans	-116.3	156	176.5	-67.5	178.7	32.8	0	0	110	T242 W245 P246 K247	T242-Q250 PolarHBondContact O-NE2 3.43Å; W245-Q250 HydrophobicContact CB-CG 4.27Å; W245-Q250 PolarHBondContact O-NE2 3.48Å; P246-Q250 PolarHBondContact O-N 2.97Å; K247-Q250 PolarHBondContact O-N 2.89Å
251	P	86.2	Confident	79.8	Confident	7 Å²	7	34.7 Å²	34.7	5%	0.045	16%	0.163	C	C	.	.			trans	-67.8	160.2	172.9	-14.5	30.8	0	0	0	111.6	N198 N199 F220 P240 W241 C253	N198-P251 VanDerWaalsContact O-CB 3.23Å; N198-P251 WeakPolarHBondContact O-CB 3.47Å; N198-P251 WeakPolarHBondContact O-CG 3.27Å; N199-P251 HydrophobicContact CB-CB 3.96Å; N199-P251 VanDerWaalsContact OD1-CA 3.29Å; N199-P251 WeakPolarHBondContact OD1-CA 3.31Å; N199-P251 WeakPolarHBondContact OD1-CB 3.46Å; F220-P251 HydrophobicContact CB-CG 4.24Å; F220-P251 HydrophobicContact CD1-CG 3.82Å; F220-P251 HydrophobicContact CE1-CG 4.34Å; F220-P251 HydrophobicContact CG-CB 4.48Å; F220-P251 HydrophobicContact CG-CG 3.96Å; P240-P251 HydrophobicContact CB-CG 4.07Å; P240-P251 HydrophobicContact CG-CG 3.74Å; W241-P251 HydrophobicContact CD2-CG 4.33Å; W241-P251 HydrophobicContact CH2-CB 3.59Å; W241-P251 HydrophobicContact CH2-CG 3.85Å; W241-P251 HydrophobicContact CZ2-CB 3.57Å; W241-P251 HydrophobicContact CZ2-CG 3.57Å; W241-P251 HydrophobicContact CZ3-CB 4.37Å; W241-P251 HydrophobicContact CZ3-CG 4.34Å; P251-C253 PolarHBondContact O-N 2.92Å; P251-C253 VanDerWaalsContact O-N 3.1Å
252	D	83.6	Confident	79.6	Confident	43 Å²	43	37.3 Å²	37.3	23%	0.23	18%	0.177	C	C	.	.			trans	-70.3	107.2	178.6	-169.2	-15.4	0	0	0	111.1	N199 H254 Y255 S256	N199-D252 PolarHBondContact OD1-N 2.92Å; D252-H254 PolarHBondContact O-N 3.37Å; D252-H254 WeakPolarHBondContact OD1-CB 3.33Å; D252-H254 IonicContact OD1-CE1 3.04Å; D252-H254 IonicContact OD1-CG 3.3Å; D252-H254 PolarHBondContact OD1-N 3.29Å; D252-H254 IonicContact OD1-ND1 3.25Å; D252-H254 PolarHBondContact OD1-ND1 3.12Å; D252-Y255 PolarHBondContact O-N 3.24Å; D252-S256 PolarHBondContact O-N 3.23Å; D252-S256 PolarHBondContact O-OG 3.41Å
253	C	80.2	Confident	79	Confident	60 Å²	60	38 Å²	38	41%	0.405	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17	-179.3	64.8	0	0	0	0	114	P251 Y255 L261	P251-C253 PolarHBondContact O-N 2.92Å; P251-C253 VanDerWaalsContact O-N 3.1Å; C253-Y255 VanDerWaalsContact C-N 3.3Å; C253-L261 HydrophobicContact CB-CD2 3.87Å
254	H	78.6	Confident	78.5	Confident	67 Å²	67	34.4 Å²	34.4	31%	0.31	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.5	177.8	-50.6	96.9	0	0	0	113	D252 F425	D252-H254 PolarHBondContact O-N 3.37Å; D252-H254 WeakPolarHBondContact OD1-CB 3.33Å; D252-H254 IonicContact OD1-CE1 3.04Å; D252-H254 IonicContact OD1-CG 3.3Å; D252-H254 PolarHBondContact OD1-N 3.29Å; D252-H254 IonicContact OD1-ND1 3.25Å; D252-H254 PolarHBondContact OD1-ND1 3.12Å; H254-F425 WeakPolarHBondContact O-CZ 2.87Å
255	Y	86.8	Confident	77.6	Confident	14 Å²	14	29.1 Å²	29.1	6%	0.055	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-1	175.8	-71.2	-87.9	0	0	0	112.4	P202 D252 C253 S320 L323 I324	P202-Y255 HydrophobicContact CG-CD1 4.44Å; P202-Y255 HydrophobicContact CG-CD2 4.46Å; P202-Y255 HydrophobicContact CG-CE1 3.76Å; P202-Y255 HydrophobicContact CG-CE2 3.79Å; P202-Y255 VanDerWaalsContact CG-CZ 3.4Å; P202-Y255 WeakPolarHBondContact CG-OH 3.29Å; D252-Y255 PolarHBondContact O-N 3.24Å; C253-Y255 VanDerWaalsContact C-N 3.3Å; Y255-S320 VanDerWaalsContact O-CA 3.29Å; Y255-S320 WeakPolarHBondContact O-CA 3.48Å; Y255-S320 WeakPolarHBondContact O-CB 3.35Å; Y255-S320 PolarHBondContact O-OG 3.32Å; Y255-L323 HydrophobicContact CD1-CB 3.79Å; Y255-L323 HydrophobicContact CE1-CB 4.2Å; Y255-I324 HydrophobicContact CD1-CG1 4Å; Y255-I324 HydrophobicContact CE1-CG1 4.2Å
256	S	84.3	Confident	76	Confident	5 Å²	5	30.8 Å²	30.8	4%	0.035	16%	0.158	C	C	.	.	S	Bend	trans	-84	148.5	-175.2	-65.2	0	0	0	0	113	W241 D252	W241-S256 WeakPolarHBondContact CH2-OG 3.37Å; W241-S256 VanDerWaalsContact CZ2-OG 3.31Å; W241-S256 WeakPolarHBondContact CZ2-OG 3.46Å; D252-S256 PolarHBondContact O-N 3.23Å; D252-S256 PolarHBondContact O-OG 3.41Å
257	A	87.3	Confident	74.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.			trans	-70.3	156.3	178.1	0	0	0	0	0	112.4	E259 C260 F319	A257-E259 VanDerWaalsContact C-N 3.27Å; A257-E259 VanDerWaalsContact CB-CD 3.41Å; A257-E259 HydrophobicContact CB-CG 4.45Å; A257-E259 WeakPolarHBondContact CB-OE1 3.31Å; A257-E259 WeakPolarHBondContact CB-OE2 3.15Å; A257-E259 PolarHBondContact O-N 3.07Å; A257-C260 WeakPolarHBondContact O-CB 3.41Å; A257-C260 PolarHBondContact O-N 3.15Å; A257-C260 VanDerWaalsContact O-N 3.14Å; A257-F319 VanDerWaalsContact CA-CD1 3.47Å; A257-F319 HydrophobicContact CB-CB 3.85Å; A257-F319 HydrophobicContact CB-CD1 3.8Å; A257-F319 HydrophobicContact CB-CE1 4.45Å; A257-F319 HydrophobicContact CB-CG 3.87Å
258	P	81.4	Confident	72.1	Confident	14 Å²	14	32.7 Å²	32.7	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-39.1	-179.1	-24.9	34.4	0	0	0	113.5	C260 L261 N262 F319 M426	P258-C260 VanDerWaalsContact C-N 3.32Å; P258-C260 PolarHBondContact O-N 3.48Å; P258-L261 PolarHBondContact O-N 3.03Å; P258-L261 VanDerWaalsContact O-N 3.14Å; P258-N262 PolarHBondContact O-N 3.43Å; P258-F319 HydrophobicContact CG-CE2 4.47Å; P258-F319 HydrophobicContact CG-CZ 4.28Å; P258-M426 HydrophobicContact CB-SD 4.32Å; P258-M426 HydrophobicContact CG-SD 4.12Å
259	E	81.2	Confident	69.8	Low	6 Å²	6	39.4 Å²	39.4	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-30.1	179.9	65.8	-83.7	-172.1	0	0	113.6	A257 L261 N262 S316 R459	A257-E259 VanDerWaalsContact C-N 3.27Å; A257-E259 VanDerWaalsContact CB-CD 3.41Å; A257-E259 HydrophobicContact CB-CG 4.45Å; A257-E259 WeakPolarHBondContact CB-OE1 3.31Å; A257-E259 WeakPolarHBondContact CB-OE2 3.15Å; A257-E259 PolarHBondContact O-N 3.07Å; E259-L261 PolarHBondContact O-N 3.37Å; E259-N262 PolarHBondContact O-N 3.16Å; E259-S316 WeakPolarHBondContact OE1-CA 3.38Å; E259-S316 WeakPolarHBondContact OE1-CB 2.93Å; E259-S316 PolarHBondContact OE1-OG 3.19Å; E259-R459 IonicContact OE1-CZ 3.61Å; E259-R459 IonicContact OE1-NH1 3.46Å; E259-R459 PolarHBondContact OE1-NH1 2.87Å; E259-R459 IonicContact OE1-NH2 3.63Å; E259-R459 IonicContact OE2-CZ 3.61Å; E259-R459 IonicContact OE2-NH1 3.49Å; E259-R459 PolarHBondContact OE2-NH1 3.11Å; E259-R459 IonicContact OE2-NH2 2.85Å; E259-R459 PolarHBondContact OE2-NH2 3.49Å
260	C	82.3	Confident	67.2	Low	2 Å²	2	45.6 Å²	45.6	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-35.6	173.7	-60.6	0	0	0	0	111.7	W241 A257 P258 S316	W241-C260 HydrophobicContact CD2-CB 4.32Å; W241-C260 HydrophobicContact CH2-CB 4.45Å; W241-C260 HydrophobicContact CZ2-CB 3.7Å; A257-C260 WeakPolarHBondContact O-CB 3.41Å; A257-C260 PolarHBondContact O-N 3.15Å; A257-C260 VanDerWaalsContact O-N 3.14Å; P258-C260 VanDerWaalsContact C-N 3.32Å; P258-C260 PolarHBondContact O-N 3.48Å; C260-S316 VanDerWaalsContact SG-CB 3.55Å
261	L	72.5	Confident	64.6	Low	12 Å²	12	49.4 Å²	49.4	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-85.5	-22.3	-173.3	-59.5	175.6	0	0	0	112.4	W241 C253 P258 E259 L263 I264 N265 H422	W241-L261 HydrophobicContact CE3-CD2 4.27Å; W241-L261 HydrophobicContact CH2-CD2 4.14Å; W241-L261 HydrophobicContact CZ3-CD2 3.74Å; C253-L261 HydrophobicContact CB-CD2 3.87Å; P258-L261 PolarHBondContact O-N 3.03Å; P258-L261 VanDerWaalsContact O-N 3.14Å; E259-L261 PolarHBondContact O-N 3.37Å; L261-L263 PolarHBondContact O-N 3.28Å; L261-I264 HydrophobicContact CD2-CD1 3.66Å; L261-I264 WeakPolarHBondContact O-CB 3.29Å; L261-I264 PolarHBondContact O-N 3.37Å; L261-N265 PolarHBondContact O-ND2 3.32Å; L261-H422 VanDerWaalsContact CD1-CE1 3.44Å; L261-H422 WeakPolarHBondContact CD1-CE1 3.29Å; L261-H422 WeakPolarHBondContact CD1-ND1 3.37Å
262	N	69.2	Low	61.8	Low	58 Å²	58	53.7 Å²	53.7	31%	0.31	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-32.7	174.1	-73.9	-18.6	0	0	0	112.4	P258 E259 I264 N265	P258-N262 PolarHBondContact O-N 3.43Å; E259-N262 PolarHBondContact O-N 3.16Å; N262-I264 VanDerWaalsContact C-N 3.26Å; N262-I264 PolarHBondContact O-N 2.95Å; N262-N265 PolarHBondContact O-N 2.88Å
263	L	60.1	Low	59.1	Low	38 Å²	38	58 Å²	58	20%	0.199	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-26.3	177.9	-67.8	179.9	0	0	0	113.6	W241 L261 N265 N267 P312	W241-L263 HydrophobicContact CB-CB 4.23Å; L261-L263 PolarHBondContact O-N 3.28Å; L263-N265 PolarHBondContact O-N 3.01Å; L263-N265 VanDerWaalsContact O-N 3.11Å; L263-N267 PolarHBondContact O-ND2 2.93Å; L263-P312 HydrophobicContact CD1-CG 3.64Å
264	I	57	Low	56.5	Low	23 Å²	23	63.9 Å²	63.9	12%	0.118	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-20.8	177.7	-61.3	176.6	0	0	0	110.9	W241 R243 L261 N262	W241-I264 HydrophobicContact CB-CG1 4.32Å; W241-I264 HydrophobicContact CE3-CD1 3.76Å; W241-I264 HydrophobicContact CE3-CG1 4.11Å; W241-I264 HydrophobicContact CZ3-CD1 4.17Å; R243-I264 HydrophobicContact CG-CG2 3.61Å; R243-I264 PolarHBondContact NE-O 3.3Å; R243-I264 PolarHBondContact NH2-O 3.44Å; L261-I264 HydrophobicContact CD2-CD1 3.66Å; L261-I264 WeakPolarHBondContact O-CB 3.29Å; L261-I264 PolarHBondContact O-N 3.37Å; N262-I264 VanDerWaalsContact C-N 3.26Å; N262-I264 PolarHBondContact O-N 2.95Å
265	N	51.7	Low	54	Low	32 Å²	32	69.6 Å²	69.6	17%	0.171	36%	0.363	C	S	.	.	H	α-helix	trans	-103.6	-39.7	-167.4	-47.3	-32.5	0	0	0	112	R243 L261 N262 L263 N267 W418	R243-N265 PolarHBondContact NH2-OD1 3.31Å; L261-N265 PolarHBondContact O-ND2 3.32Å; N262-N265 PolarHBondContact O-N 2.88Å; L263-N265 PolarHBondContact O-N 3.01Å; L263-N265 VanDerWaalsContact O-N 3.11Å; N265-N267 PolarHBondContact O-N 3.3Å; N265-W418 HydrophobicContact CB-CH2 3.94Å; N265-W418 HydrophobicContact CB-CZ2 4.04Å; N265-W418 VanDerWaalsContact CG-CZ3 3.45Å; N265-W418 WeakPolarHBondContact ND2-CH2 3.46Å; N265-W418 WeakPolarHBondContact ND2-CZ3 3.39Å; N265-W418 VanDerWaalsContact OD1-CE2 3.32Å; N265-W418 WeakPolarHBondContact OD1-CH2 3.42Å; N265-W418 WeakPolarHBondContact OD1-CZ2 3.36Å; N265-W418 WeakPolarHBondContact OD1-CZ3 3.49Å
266	N	44.3	Very low	51.1	Low	80 Å²	80	75.7 Å²	75.7	43%	0.428	40%	0.402	S	S	.	.	H	α-helix	trans	-75.8	-12.9	-178.3	-69.3	-8.4	0	0	0	112.9	N268 N269 M306	N266-N268 PolarHBondContact O-N 3.15Å; N266-N269 PolarHBondContact O-N 2.62Å; N266-N269 VanDerWaalsContact O-N 3.15Å; N266-M306 WeakPolarHBondContact ND2-CE 3.46Å; N266-M306 PolarHBondContact ND2-SD 2.89Å
267	N	38.7	Very low	48.3	Very low	69 Å²	69	80 Å²	80	37%	0.369	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.2	173.9	-85.5	-20.7	0	0	0	114.6	W241 L263 N265	W241-N267 PolarHBondContact O-ND2 3.48Å; L263-N267 PolarHBondContact O-ND2 2.93Å; N265-N267 PolarHBondContact O-N 3.3Å
268	N	36.1	Very low	45.4	Very low	117 Å²	117	91.8 Å²	91.8	63%	0.626	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.2	170.2	-80.8	5.1	0	0	0	114.2	N266	N266-N268 PolarHBondContact O-N 3.15Å
269	N	33.4	Very low	42.6	Very low	143 Å²	143	101.8 Å²	101.8	77%	0.765	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-1.5	-168.3	-78.4	4.3	0	0	0	117.6	N266	N266-N269 PolarHBondContact O-N 2.62Å; N266-N269 VanDerWaalsContact O-N 3.15Å
270	N	30.3	Very low	40	Very low	130 Å²	130	108.2 Å²	108.2	70%	0.695	55%	0.549	S	S	*	.			trans	-134	25.2	-178.9	-79.2	-29.6	0	0	0	115.7	S272	N270-S272 PolarHBondContact O-N 2.99Å; N270-S272 VanDerWaalsContact O-N 3.09Å
271	I	31.3	Very low	37.2	Very low	118 Å²	118	117.7 Å²	117.7	61%	0.605	59%	0.59	S	S	*	*	S	Bend	trans	-85.2	65.3	166.5	-47.2	176.3	0	0	0	109
272	S	28.6	Very low	35.3	Very low	96 Å²	96	123 Å²	123	67%	0.671	63%	0.625	S	S	*	*	S	Bend	trans	-156.4	-18.1	156.8	74	0	0	0	0	116.1	N270	N270-S272 PolarHBondContact O-N 2.99Å; N270-S272 VanDerWaalsContact O-N 3.09Å
273	N	25.5	Very low	33.3	Very low	135 Å²	135	126.6 Å²	126.6	72%	0.722	65%	0.649	S	S	*	*	S	Bend	trans	-117.6	36	-168.5	-70.9	8.1	0	0	0	115.9
274	H	26.4	Very low	31.5	Very low	182 Å²	182	130.5 Å²	130.5	84%	0.843	68%	0.675	S	S	*	*	S	Bend	trans	-109.4	13.2	168.4	-85.9	-46.2	0	0	0	115.2
275	F	26.3	Very low	30	Very low	188 Å²	188	136 Å²	136	83%	0.825	71%	0.705	S	S	*	*	S	Bend	trans	-108.9	123	162.2	-85.7	-86.3	0	0	0	109.8
276	T	25.4	Very low	28.6	Very low	141 Å²	141	142.5 Å²	142.5	87%	0.865	74%	0.738	S	S	*	*	S	Bend	trans	85.8	129.4	170.5	73.9	0	0	0	0	118.5
277	S	24.6	Very low	27.4	Very low	96 Å²	96	149.1 Å²	149.1	67%	0.671	76%	0.759	S	S	*	*			trans	85.3	71.8	159.9	-156.4	0	0	0	0	119.5
278	Y	26.8	Very low	26.6	Very low	248 Å²	248	154 Å²	154	97%	0.973	78%	0.779	S	S	*	*			trans	-127.5	88	132.2	-79.2	-78.2	0	0	0	108.4
279	R	23.5	Very low	26	Very low	224 Å²	224	154 Å²	154	85%	0.845	79%	0.788	S	S	*	*			trans	-81.4	118.5	173.8	-162.7	178.6	-170.1	174.1	2	107.5
280	N	25.1	Very low	25.5	Very low	141 Å²	141	152.7 Å²	152.7	75%	0.754	79%	0.786	S	S	*	*			trans	41.9	110.3	154.3	-61	-9.1	0	0	0	118.6
281	K	23.9	Very low	25.2	Very low	200 Å²	200	152.9 Å²	152.9	87%	0.87	79%	0.787	S	S	*	*				-155.4	121.8	126.9	-106.4	171.6	-173.4	-176.1	0	109.1
282	P	33.3	Very low	24.9	Very low	124 Å²	124	155.4 Å²	155.4	81%	0.805	79%	0.793	S	S	*	*			trans	-86.4	118.4	177.2	33.1	-26.3	0	0	0	108
283	T	27.7	Very low	24.8	Very low	133 Å²	133	157.6 Å²	157.6	82%	0.816	80%	0.798	S	S	*	*			trans	-137.9	100.4	162.9	50.2	0	0	0	0	107.9
284	T	22.5	Very low	25.1	Very low	121 Å²	121	159 Å²	159	74%	0.742	81%	0.805	S	S	*	*			trans	-50	147.3	161.7	38	0	0	0	0	112.1
285	D	24	Very low	25.5	Very low	139 Å²	139	155 Å²	155	74%	0.743	80%	0.796	S	S	*	*			trans	61.2	108.4	150.9	-51.1	-25.9	0	0	0	118
286	L	22.9	Very low	25.7	Very low	167 Å²	167	153.7 Å²	153.7	87%	0.874	80%	0.797	S	S	*	*			trans	-162.8	85.4	142.1	-100.3	134.9	0	0	0	110.3
287	Y	19.5	Very low	25.9	Very low	220 Å²	220	155.5 Å²	155.5	86%	0.863	80%	0.795	S	S	*	*			trans	-76.7	147.5	145.3	-87.3	-92	0	0	0	108.2
288	H	20.7	Very low	26	Very low	171 Å²	171	157 Å²	157	79%	0.792	80%	0.8	S	S	*	*			trans	83.2	109.3	-178.3	-57.9	-66.2	0	0	0	116.4
289	S	23.4	Very low	26	Very low	116 Å²	116	152.6 Å²	152.6	81%	0.811	79%	0.792	S	S	*	*				172.9	155.4	81.2	65.6	0	0	0	0	112
290	T	24	Very low	26.1	Very low	116 Å²	116	148.6 Å²	148.6	71%	0.712	79%	0.787	S	S	*	*			trans	-66.6	138.1	168.1	48.1	0	0	0	0	112.9
291	N	23.7	Very low	26.4	Very low	135 Å²	135	147.1 Å²	147.1	72%	0.722	79%	0.785	S	S	*	*				160.9	133.9	117.1	-100.5	-37.2	0	0	0	113.7
292	K	24.5	Very low	26.5	Very low	171 Å²	171	145 Å²	145	74%	0.743	78%	0.782	S	S	*	*			trans	48.4	122.3	136.7	-67	179.4	179.7	-179.8	0	121.3
293	N	26.6	Very low	26.1	Very low	142 Å²	142	145 Å²	145	76%	0.759	78%	0.78	S	S	*	*			trans	60.2	103.1	135.1	-56.4	-4.9	0	0	0	118.1
294	D	31.6	Very low	26.1	Very low	163 Å²	163	143.4 Å²	143.4	87%	0.872	77%	0.774	S	S	*	*				-158	140.5	126.8	-97	-33	0	0	0	110.7
295	P	35.8	Very low	26.4	Very low	100 Å²	100	143.4 Å²	143.4	65%	0.649	77%	0.774	S	S	*	*			trans	-98.2	116.8	178.4	34.6	-23.5	0	0	0	110
296	D	29.8	Very low	26.6	Very low	159 Å²	159	140.3 Å²	140.3	85%	0.85	76%	0.756	S	S	*	*			trans	-149.2	91.1	153.3	-103.6	-26.7	0	0	0	108.7	T298	D296-T298 PolarHBondContact O-N 3.13Å; D296-T298 VanDerWaalsContact O-N 3.1Å
297	H	29.2	Very low	27.4	Very low	180 Å²	180	140 Å²	140	83%	0.833	75%	0.748	S	S	*	*			trans	-77.8	86.2	176.1	-78.5	-66.3	0	0	0	109.7
298	T	28.4	Very low	28.8	Very low	127 Å²	127	134.4 Å²	134.4	78%	0.779	74%	0.741	S	S	*	*			trans	-94.5	111	154.3	1.9	0	0	0	0	108.1	D296 D300	D296-T298 PolarHBondContact O-N 3.13Å; D296-T298 VanDerWaalsContact O-N 3.1Å; T298-D300 PolarHBondContact O-N 3.31Å; T298-D300 VanDerWaalsContact O-N 3.08Å
299	I	26.2	Very low	30.5	Very low	155 Å²	155	128.8 Å²	128.8	80%	0.795	72%	0.716	S	S	*	*			trans	-75.4	93.2	-174.3	-61.3	167.2	0	0	0	107.9
300	D	25.8	Very low	32.5	Very low	140 Å²	140	126 Å²	126	75%	0.749	69%	0.693	S	S	*	*			trans	-85.5	142.5	162.7	-83.2	-27.9	0	0	0	110.3	T298 I302	T298-D300 PolarHBondContact O-N 3.31Å; T298-D300 VanDerWaalsContact O-N 3.08Å; D300-I302 PolarHBondContact O-N 3.47Å
301	P	30.4	Very low	35	Very low	110 Å²	110	125.7 Å²	125.7	71%	0.714	68%	0.681	S	S	*	*			trans	-69.9	127.6	-163.5	27.6	-33.3	0	0	0	111.2	T303	P301-T303 PolarHBondContact O-N 3.04Å
302	I	26.4	Very low	37.9	Very low	156 Å²	156	120 Å²	120	80%	0.8	65%	0.652	S	S	*	*			trans	-53.8	93.2	-178.1	-57.8	163.1	0	0	0	110	D300 S304	D300-I302 PolarHBondContact O-N 3.47Å; I302-S304 VanDerWaalsContact C-N 3.32Å; I302-S304 PolarHBondContact O-N 3.24Å
303	T	25.3	Very low	41	Very low	124 Å²	124	112.3 Å²	112.3	76%	0.761	62%	0.621	S	S	*	*			trans	-74.3	96.3	151.4	36.5	0	0	0	0	105.3	P301 T305	P301-T303 PolarHBondContact O-N 3.04Å; T303-T305 PolarHBondContact O-N 3.14Å
304	S	27	Very low	44.2	Very low	99 Å²	99	106.5 Å²	106.5	69%	0.692	59%	0.591	S	S	*	*			trans	-65.1	86.2	179.6	61.1	0	0	0	0	109.5	I302 M306	I302-S304 VanDerWaalsContact C-N 3.32Å; I302-S304 PolarHBondContact O-N 3.24Å; S304-M306 PolarHBondContact O-N 3.32Å
305	T	28.4	Very low	47.1	Very low	122 Å²	122	104.2 Å²	104.2	75%	0.748	57%	0.57	S	S	*	*			trans	-63.6	104.3	163.6	46.4	0	0	0	0	106.2	T303 K307	T303-T305 PolarHBondContact O-N 3.14Å; T305-K307 PolarHBondContact O-N 3.45Å; T305-K307 VanDerWaalsContact O-N 3.12Å
306	M	28.7	Very low	49.8	Very low	73 Å²	73	99.5 Å²	99.5	36%	0.36	54%	0.54	S	S	.	.			trans	-52.1	122.9	176.6	-62.8	-167.4	84.8	0	0	108.2	N266 S304 D310	N266-M306 WeakPolarHBondContact ND2-CE 3.46Å; N266-M306 PolarHBondContact ND2-SD 2.89Å; S304-M306 PolarHBondContact O-N 3.32Å; M306-D310 HydrophobicContact CB-CB 4.5Å; M306-D310 HydrophobicContact CE-CB 3.86Å
307	K	39.9	Very low	52.9	Low	162 Å²	162	92 Å²	92	70%	0.704	50%	0.499	S	S	*	.			trans	-62.5	147.8	179.5	-70.1	179.9	178.6	179.1	0	107.7	T305 N309 D310	T305-K307 PolarHBondContact O-N 3.45Å; T305-K307 VanDerWaalsContact O-N 3.12Å; K307-N309 PolarHBondContact O-N 2.96Å; K307-D310 PolarHBondContact O-N 3.24Å
308	S	49.4	Very low	56.1	Low	101 Å²	101	83.4 Å²	83.4	71%	0.706	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-48.6	-27.3	178.5	50.8	0	0	0	0	113.6	D310 K311	S308-D310 PolarHBondContact O-N 3.45Å; S308-K311 PolarHBondContact O-N 3.05Å
309	N	55.9	Low	59.2	Low	53 Å²	53	77.4 Å²	77.4	28%	0.283	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-66.4	-14.5	177.1	-64.7	-3.7	0	0	0	115.3	K307 Q457	K307-N309 PolarHBondContact O-N 2.96Å; N309-Q457 PolarHBondContact ND2-NE2 2.98Å; N309-Q457 PolarHBondContact OD1-NE2 2.93Å
310	D	65.7	Low	62.5	Low	59 Å²	59	70.2 Å²	70.2	32%	0.316	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-92.2	0.8	-178.4	-63.5	-35.8	0	0	0	113.4	M306 K307 S308	M306-D310 HydrophobicContact CB-CB 4.5Å; M306-D310 HydrophobicContact CE-CB 3.86Å; K307-D310 PolarHBondContact O-N 3.24Å; S308-D310 PolarHBondContact O-N 3.45Å
311	K	76.6	Confident	65.8	Low	108 Å²	108	63.6 Å²	63.6	47%	0.47	35%	0.351	S	S	.	.	S	Bend	trans	-96.2	144.3	178.3	-66.5	-178.1	-179.1	178.7	0	110.8	L226 S308	L226-K311 HydrophobicContact CD1-CD 4.49Å; S308-K311 PolarHBondContact O-N 3.05Å
312	P	85.3	Confident	68.8	Low	17 Å²	17	58.3 Å²	58.3	11%	0.11	32%	0.317	C	S	.	.			trans	-62.9	148.3	173	29.8	-36	0	0	0	110.5	F196 L263 S316	F196-P312 HydrophobicContact CE2-CB 4.06Å; F196-P312 HydrophobicContact CZ-CB 4.26Å; F196-P312 HydrophobicContact CZ-CG 4.44Å; L263-P312 HydrophobicContact CD1-CG 3.64Å; P312-S316 WeakPolarHBondContact CA-OG 3.35Å
313	G	89.1	Confident	71.8	Confident	8 Å²	8	51.2 Å²	51.2	8%	0.082	28%	0.28	C	S	.	.			trans	-170.8	-160.5	179.9	0	0	0	0	0	111.9	W315 S316	G313-W315 PolarHBondContact O-N 3.29Å; G313-W315 VanDerWaalsContact O-N 3.14Å; G313-S316 PolarHBondContact N-OG 3.42Å; G313-S316 VanDerWaalsContact N-OG 3.14Å; G313-S316 WeakPolarHBondContact O-CB 3.46Å; G313-S316 PolarHBondContact O-N 3.15Å; G313-S316 PolarHBondContact O-OG 2.94Å
314	P	92.4	Very high	75	Confident	20 Å²	20	45.3 Å²	45.3	13%	0.13	24%	0.244	C	C	.	.	H	α-helix	trans	-52	-39.3	-179.3	-31.3	37.6	0	0	0	114.2	H190 T224 S316 D317 M318	H190-P314 HydrophobicContact CB-CB 4.2Å; H190-P314 PolarHBondContact CE1-O 2.71Å; H190-P314 VanDerWaalsContact CE1-O 3.23Å; T224-P314 HydrophobicContact CG2-CG 3.78Å; P314-S316 PolarHBondContact O-N 2.76Å; P314-D317 PolarHBondContact O-N 3.08Å; P314-M318 WeakPolarHBondContact O-CG 3.44Å; P314-M318 PolarHBondContact O-N 2.95Å
315	W	93.7	Very high	78.1	Confident	115 Å²	115	40.6 Å²	40.6	44%	0.436	21%	0.211	S	C	.	.	H	α-helix	trans	-66.6	-19.5	178.4	-63.2	-77.2	0	0	0	114.1	G313 M318 F319 P456 R459	G313-W315 PolarHBondContact O-N 3.29Å; G313-W315 VanDerWaalsContact O-N 3.14Å; W315-M318 PolarHBondContact O-N 3.33Å; W315-F319 PolarHBondContact O-N 3.1Å; W315-P456 HydrophobicContact CB-CB 3.9Å; W315-P456 VanDerWaalsContact CD1-O 3.28Å; W315-P456 HydrophobicContact CG-CB 4.23Å; W315-R459 WeakPolarHBondContact O-CD 3.46Å; W315-R459 PolarHBondContact O-NH1 3.33Å
316	S	92.7	Very high	80.9	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-72.9	-38.4	175.5	-51	0	0	0	0	111.3	E259 C260 P312 G313 P314 M318 F319 S320	E259-S316 WeakPolarHBondContact OE1-CA 3.38Å; E259-S316 WeakPolarHBondContact OE1-CB 2.93Å; E259-S316 PolarHBondContact OE1-OG 3.19Å; C260-S316 VanDerWaalsContact SG-CB 3.55Å; P312-S316 WeakPolarHBondContact CA-OG 3.35Å; G313-S316 PolarHBondContact N-OG 3.42Å; G313-S316 VanDerWaalsContact N-OG 3.14Å; G313-S316 WeakPolarHBondContact O-CB 3.46Å; G313-S316 PolarHBondContact O-N 3.15Å; G313-S316 PolarHBondContact O-OG 2.94Å; P314-S316 PolarHBondContact O-N 2.76Å; S316-M318 VanDerWaalsContact C-N 3.33Å; S316-F319 PolarHBondContact O-N 3.17Å; S316-S320 PolarHBondContact O-N 2.74Å; S316-S320 VanDerWaalsContact O-N 3.12Å; S316-S320 PolarHBondContact O-OG 3.24Å
317	D	95.4	Very high	83.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-40.5	170.9	-69.9	-18.8	0	0	0	111.1	L186 H190 F196 H197 N198 V200 P314 F319 S320 L321	L186-D317 HydrophobicContact CD1-CB 4.27Å; L186-D317 HydrophobicContact CD2-CB 3.93Å; H190-D317 IonicContact CD2-OD2 3.44Å; H190-D317 IonicContact CE1-OD2 3.99Å; H190-D317 IonicContact NE2-OD2 2.66Å; H190-D317 PolarHBondContact NE2-OD2 3.43Å; F196-D317 WeakPolarHBondContact CA-OD2 3.21Å; F196-D317 WeakPolarHBondContact CB-OD2 3.4Å; H197-D317 PolarHBondContact N-OD1 2.96Å; H197-D317 PolarHBondContact N-OD2 3.15Å; N198-D317 PolarHBondContact N-OD1 2.93Å; V200-D317 HydrophobicContact CG2-CB 4Å; P314-D317 PolarHBondContact O-N 3.08Å; D317-F319 VanDerWaalsContact C-N 3.33Å; D317-F319 PolarHBondContact O-N 3.23Å; D317-S320 CarbonylContact O-C 3.58Å; D317-S320 WeakPolarHBondContact O-CA 3.49Å; D317-S320 VanDerWaalsContact O-CB 3.32Å; D317-S320 WeakPolarHBondContact O-CB 3.42Å; D317-S320 PolarHBondContact O-N 3.17Å; D317-S320 VanDerWaalsContact O-N 3.12Å; D317-L321 PolarHBondContact O-N 3.41Å
318	M	96	Very high	85.9	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-39	179	-64.3	-49.5	-61.7	0	0	111.9	L186 P314 W315 S316 S320 L321 G322 L451 F465	L186-M318 HydrophobicContact CD1-SD 4.1Å; P314-M318 WeakPolarHBondContact O-CG 3.44Å; P314-M318 PolarHBondContact O-N 2.95Å; W315-M318 PolarHBondContact O-N 3.33Å; S316-M318 VanDerWaalsContact C-N 3.33Å; M318-S320 VanDerWaalsContact C-N 3.35Å; M318-L321 HydrophobicContact CE-CD2 3.92Å; M318-L321 WeakPolarHBondContact O-CB 3.35Å; M318-L321 PolarHBondContact O-N 2.84Å; M318-G322 PolarHBondContact O-N 3.18Å; M318-L451 HydrophobicContact CB-CD2 3.73Å; M318-L451 HydrophobicContact CE-CD2 3.7Å; M318-L451 WeakPolarHBondContact O-CD2 3.44Å; M318-F465 HydrophobicContact CE-CB 3.87Å; M318-F465 HydrophobicContact CE-CD1 4.44Å; M318-F465 HydrophobicContact CE-CG 4.13Å
319	F	93.8	Very high	87.6	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-44.1	171.6	-178	-87.8	0	0	0	112	A257 P258 W315 S316 D317 L321 G322 L323 I429 L451 L452	A257-F319 VanDerWaalsContact CA-CD1 3.47Å; A257-F319 HydrophobicContact CB-CB 3.85Å; A257-F319 HydrophobicContact CB-CD1 3.8Å; A257-F319 HydrophobicContact CB-CE1 4.45Å; A257-F319 HydrophobicContact CB-CG 3.87Å; P258-F319 HydrophobicContact CG-CE2 4.47Å; P258-F319 HydrophobicContact CG-CZ 4.28Å; W315-F319 PolarHBondContact O-N 3.1Å; S316-F319 PolarHBondContact O-N 3.17Å; D317-F319 VanDerWaalsContact C-N 3.33Å; D317-F319 PolarHBondContact O-N 3.23Å; F319-L321 VanDerWaalsContact C-N 3.32Å; F319-L321 PolarHBondContact O-N 3.43Å; F319-G322 PolarHBondContact O-N 2.59Å; F319-G322 VanDerWaalsContact O-N 3.11Å; F319-L323 HydrophobicContact CD1-CD1 4Å; F319-L323 HydrophobicContact CD1-CG 4.39Å; F319-L323 HydrophobicContact CE1-CD1 3.57Å; F319-L323 HydrophobicContact CE1-CG 4.12Å; F319-L323 HydrophobicContact CZ-CD1 4.46Å; F319-L323 PolarHBondContact O-N 3.13Å; F319-L323 VanDerWaalsContact O-N 3.1Å; F319-I429 HydrophobicContact CE1-CD1 4.36Å; F319-I429 HydrophobicContact CE2-CD1 4.37Å; F319-I429 HydrophobicContact CZ-CD1 3.54Å; F319-L451 WeakPolarHBondContact CA-O 3.43Å; F319-L451 WeakPolarHBondContact CD2-O 3.41Å; F319-L452 HydrophobicContact CE2-CD2 4.47Å
320	S	93.7	Very high	88.6	Confident	4 Å²	4	17.5 Å²	17.5	3%	0.028	9%	0.085	C	C	.	.	H	α-helix	trans	-60.9	-41.6	177.8	-49.3	0	0	0	0	111.5	V200 Y255 S316 D317 M318 G322 L323 I324	V200-S320 WeakPolarHBondContact O-CB 3.46Å; Y255-S320 VanDerWaalsContact O-CA 3.29Å; Y255-S320 WeakPolarHBondContact O-CA 3.48Å; Y255-S320 WeakPolarHBondContact O-CB 3.35Å; Y255-S320 PolarHBondContact O-OG 3.32Å; S316-S320 PolarHBondContact O-N 2.74Å; S316-S320 VanDerWaalsContact O-N 3.12Å; S316-S320 PolarHBondContact O-OG 3.24Å; D317-S320 CarbonylContact O-C 3.58Å; D317-S320 WeakPolarHBondContact O-CA 3.49Å; D317-S320 VanDerWaalsContact O-CB 3.32Å; D317-S320 WeakPolarHBondContact O-CB 3.42Å; D317-S320 PolarHBondContact O-N 3.17Å; D317-S320 VanDerWaalsContact O-N 3.12Å; M318-S320 VanDerWaalsContact C-N 3.35Å; S320-G322 VanDerWaalsContact C-N 3.34Å; S320-G322 PolarHBondContact O-N 2.71Å; S320-L323 PolarHBondContact O-N 3.05Å; S320-I324 WeakPolarHBondContact O-CG1 3.4Å; S320-I324 PolarHBondContact O-N 3.25Å
321	L	95.7	Very high	88.5	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.9	-43.9	172.5	179.8	65	0	0	0	111.4	L182 L186 D317 M318 F319 L323 I324 I325 F465	L182-L321 HydrophobicContact CB-CD1 4.12Å; L182-L321 HydrophobicContact CD1-CD1 4.15Å; L186-L321 HydrophobicContact CD1-CB 4.34Å; L186-L321 HydrophobicContact CD1-CD2 4.21Å; D317-L321 PolarHBondContact O-N 3.41Å; M318-L321 HydrophobicContact CE-CD2 3.92Å; M318-L321 WeakPolarHBondContact O-CB 3.35Å; M318-L321 PolarHBondContact O-N 2.84Å; F319-L321 VanDerWaalsContact C-N 3.32Å; F319-L321 PolarHBondContact O-N 3.43Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 2.83Å; L321-I324 PolarHBondContact O-N 2.99Å; L321-I325 HydrophobicContact CD1-CD1 4.42Å; L321-I325 HydrophobicContact CD1-CG1 4.49Å; L321-I325 HydrophobicContact CG-CD1 4.03Å; L321-I325 VanDerWaalsContact O-CG1 3.29Å; L321-I325 WeakPolarHBondContact O-CG1 3.39Å; L321-I325 PolarHBondContact O-N 3Å; L321-F465 HydrophobicContact CD2-CD1 4.18Å; L321-F465 HydrophobicContact CD2-CE1 4.09Å
322	G	93.3	Very high	87.4	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.9	-43.5	175	0	0	0	0	0	112.8	M318 F319 S320 I325 C326	M318-G322 PolarHBondContact O-N 3.18Å; F319-G322 PolarHBondContact O-N 2.59Å; F319-G322 VanDerWaalsContact O-N 3.11Å; S320-G322 VanDerWaalsContact C-N 3.34Å; S320-G322 PolarHBondContact O-N 2.71Å; G322-I325 PolarHBondContact O-N 2.94Å; G322-C326 PolarHBondContact O-N 3.06Å; G322-C326 PolarHBondContact O-SG 2.84Å
323	L	90.6	Very high	85	Confident	7 Å²	7	16.1 Å²	16.1	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-66.3	-38.4	176.4	-70	177.7	0	0	0	112.6	Y255 F319 S320 L321 C326 A327 F425 I429 L452	Y255-L323 HydrophobicContact CD1-CB 3.79Å; Y255-L323 HydrophobicContact CE1-CB 4.2Å; F319-L323 HydrophobicContact CD1-CD1 4Å; F319-L323 HydrophobicContact CD1-CG 4.39Å; F319-L323 HydrophobicContact CE1-CD1 3.57Å; F319-L323 HydrophobicContact CE1-CG 4.12Å; F319-L323 HydrophobicContact CZ-CD1 4.46Å; F319-L323 PolarHBondContact O-N 3.13Å; F319-L323 VanDerWaalsContact O-N 3.1Å; S320-L323 PolarHBondContact O-N 3.05Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 2.83Å; L323-C326 PolarHBondContact O-N 2.96Å; L323-A327 PolarHBondContact O-N 3.35Å; L323-F425 HydrophobicContact CD1-CE1 4.47Å; L323-F425 HydrophobicContact CD1-CZ 4.24Å; L323-I429 HydrophobicContact CD2-CG1 4.4Å; L323-I429 HydrophobicContact CD2-CG2 4.44Å; L323-L452 HydrophobicContact CD2-CD2 3.59Å; L323-L452 HydrophobicContact CG-CD2 3.75Å
324	I	91.4	Very high	82.2	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.2	-43.9	174.2	-71.7	155.8	0	0	0	110.6	L147 V200 P202 I205 Y255 S320 L321 C326 A327 L328	L147-I324 HydrophobicContact CD2-CG2 4Å; V200-I324 HydrophobicContact CB-CD1 4.47Å; V200-I324 HydrophobicContact CG1-CD1 3.6Å; P202-I324 HydrophobicContact CG-CG1 4.44Å; I205-I324 HydrophobicContact CD1-CD1 3.61Å; I205-I324 HydrophobicContact CD1-CG1 4.31Å; I205-I324 HydrophobicContact CD1-CG2 4.11Å; Y255-I324 HydrophobicContact CD1-CG1 4Å; Y255-I324 HydrophobicContact CE1-CG1 4.2Å; S320-I324 WeakPolarHBondContact O-CG1 3.4Å; S320-I324 PolarHBondContact O-N 3.25Å; L321-I324 PolarHBondContact O-N 2.99Å; I324-C326 VanDerWaalsContact C-N 3.33Å; I324-C326 PolarHBondContact O-N 3.11Å; I324-A327 WeakPolarHBondContact O-CB 3.29Å; I324-A327 PolarHBondContact O-N 2.81Å; I324-A327 VanDerWaalsContact O-N 3.09Å; I324-L328 HydrophobicContact CG2-CD1 3.98Å; I324-L328 HydrophobicContact CG2-CG 4.33Å; I324-L328 VanDerWaalsContact O-CG 3.3Å; I324-L328 WeakPolarHBondContact O-CG 3.45Å; I324-L328 PolarHBondContact O-N 3.39Å
325	I	92.1	Very high	79.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.8	-46.5	176.6	-66.2	166.4	0	0	0	110.3	I179 L321 G322 A327 L328 Y329 M440 V448 L451 F465	I179-I325 HydrophobicContact CD1-CG1 4.01Å; I179-I325 HydrophobicContact CD1-CG2 4.36Å; I179-I325 HydrophobicContact CG1-CG1 4.09Å; I179-I325 HydrophobicContact CG2-CD1 3.89Å; I179-I325 HydrophobicContact CG2-CG1 4.11Å; L321-I325 HydrophobicContact CD1-CD1 4.42Å; L321-I325 HydrophobicContact CD1-CG1 4.49Å; L321-I325 HydrophobicContact CG-CD1 4.03Å; L321-I325 VanDerWaalsContact O-CG1 3.29Å; L321-I325 WeakPolarHBondContact O-CG1 3.39Å; L321-I325 PolarHBondContact O-N 3Å; G322-I325 PolarHBondContact O-N 2.94Å; I325-A327 VanDerWaalsContact C-N 3.32Å; I325-A327 PolarHBondContact O-N 3.23Å; I325-L328 PolarHBondContact O-N 3.27Å; I325-Y329 HydrophobicContact CG2-CD2 3.86Å; I325-Y329 HydrophobicContact CG2-CE2 3.89Å; I325-Y329 VanDerWaalsContact O-CD2 3.31Å; I325-Y329 WeakPolarHBondContact O-CD2 3.45Å; I325-Y329 PolarHBondContact O-N 2.96Å; I325-M440 HydrophobicContact CG2-CE 3.85Å; I325-M440 HydrophobicContact CG2-SD 4.36Å; I325-V448 HydrophobicContact CB-CG2 4.34Å; I325-V448 HydrophobicContact CD1-CG2 3.97Å; I325-V448 HydrophobicContact CG2-CG2 3.78Å; I325-L451 HydrophobicContact CD1-CD1 4.25Å; I325-F465 HydrophobicContact CD1-CE1 4.17Å; I325-F465 HydrophobicContact CD1-CZ 3.78Å
326	C	88.4	Confident	76.4	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-58.2	-42.5	174	-70.2	0	0	0	0	112.4	G322 L323 I324 L328 Y329 T330 S436	G322-C326 PolarHBondContact O-N 3.06Å; G322-C326 PolarHBondContact O-SG 2.84Å; L323-C326 PolarHBondContact O-N 2.96Å; I324-C326 VanDerWaalsContact C-N 3.33Å; I324-C326 PolarHBondContact O-N 3.11Å; C326-L328 VanDerWaalsContact C-N 3.32Å; C326-L328 PolarHBondContact O-N 3.47Å; C326-Y329 PolarHBondContact O-N 2.95Å; C326-T330 WeakPolarHBondContact O-CB 3.47Å; C326-T330 WeakPolarHBondContact O-CG2 3.44Å; C326-T330 PolarHBondContact O-N 3.5Å; C326-T330 PolarHBondContact O-OG1 3.49Å; C326-S436 PolarHBondContact SG-OG 3.03Å
327	A	84.7	Confident	73.7	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-63.7	-36	178.2	0	0	0	0	0	112.7	L151 L323 I324 I325 T330 N331	L151-A327 HydrophobicContact CD1-CB 4.09Å; L323-A327 PolarHBondContact O-N 3.35Å; I324-A327 WeakPolarHBondContact O-CB 3.29Å; I324-A327 PolarHBondContact O-N 2.81Å; I324-A327 VanDerWaalsContact O-N 3.09Å; I325-A327 VanDerWaalsContact C-N 3.32Å; I325-A327 PolarHBondContact O-N 3.23Å; A327-T330 WeakPolarHBondContact CA-OG1 3.44Å; A327-T330 PolarHBondContact O-OG1 2.74Å; A327-T330 VanDerWaalsContact O-OG1 3.09Å; A327-N331 WeakPolarHBondContact O-CB 3.45Å; A327-N331 PolarHBondContact O-N 2.93Å; A327-N331 PolarHBondContact O-ND2 3.1Å
328	L	87.7	Confident	71.1	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-68.3	-37.6	178.3	-70.9	167.9	0	0	0	113.3	L147 L151 F170 R175 I179 W213 I324 I325 C326	L147-L328 HydrophobicContact CD1-CD2 3.69Å; L147-L328 HydrophobicContact CD2-CD2 4.19Å; L151-L328 HydrophobicContact CD2-CD2 4.45Å; F170-L328 HydrophobicContact CE2-CD2 4.32Å; R175-L328 PolarHBondContact NE-O 3.43Å; I179-L328 HydrophobicContact CD1-CD1 4.32Å; I179-L328 HydrophobicContact CG1-CD1 4.04Å; W213-L328 HydrophobicContact CH2-CD1 3.53Å; W213-L328 HydrophobicContact CH2-CD2 3.55Å; W213-L328 HydrophobicContact CH2-CG 4.18Å; W213-L328 HydrophobicContact CZ2-CD2 4.34Å; W213-L328 HydrophobicContact CZ3-CD1 3.91Å; W213-L328 HydrophobicContact CZ3-CD2 4.42Å; I324-L328 HydrophobicContact CG2-CD1 3.98Å; I324-L328 HydrophobicContact CG2-CG 4.33Å; I324-L328 VanDerWaalsContact O-CG 3.3Å; I324-L328 WeakPolarHBondContact O-CG 3.45Å; I324-L328 PolarHBondContact O-N 3.39Å; I325-L328 PolarHBondContact O-N 3.27Å; C326-L328 VanDerWaalsContact C-N 3.32Å; C326-L328 PolarHBondContact O-N 3.47Å
329	Y	85.3	Confident	68.5	Low	2 Å²	2	20.7 Å²	20.7	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-87.9	-17.7	-179.1	-73.3	-74.1	0	0	0	113.5	I179 I325 C326 R439 M440 P441 L444	I179-Y329 HydrophobicContact CD1-CE2 4.09Å; I325-Y329 HydrophobicContact CG2-CD2 3.86Å; I325-Y329 HydrophobicContact CG2-CE2 3.89Å; I325-Y329 VanDerWaalsContact O-CD2 3.31Å; I325-Y329 WeakPolarHBondContact O-CD2 3.45Å; I325-Y329 PolarHBondContact O-N 2.96Å; C326-Y329 PolarHBondContact O-N 2.95Å; Y329-R439 VanDerWaalsContact CD1-O 3.29Å; Y329-R439 WeakPolarHBondContact CD1-O 3.46Å; Y329-R439 WeakPolarHBondContact O-CD 3.49Å; Y329-M440 HydrophobicContact CD2-CB 4.43Å; Y329-M440 HydrophobicContact CD2-CE 4.16Å; Y329-M440 HydrophobicContact CD2-CG 4.09Å; Y329-M440 HydrophobicContact CE2-CG 4.15Å; Y329-M440 HydrophobicContact CG-CB 4.35Å; Y329-M440 HydrophobicContact CG-CG 4.48Å; Y329-P441 HydrophobicContact CE1-CG 4.37Å; Y329-P441 VanDerWaalsContact CZ-CD 3.5Å; Y329-P441 WeakPolarHBondContact OH-CD 3.32Å; Y329-L444 HydrophobicContact CE2-CD1 4.1Å
330	T	77	Confident	65.8	Low	19 Å²	19	23.9 Å²	23.9	12%	0.117	14%	0.136	C	C	.	.	H	α-helix	trans	-79.4	-40	172.9	45.1	0	0	0	0	113.3	C326 A327 N332 L435 R439	C326-T330 WeakPolarHBondContact O-CB 3.47Å; C326-T330 WeakPolarHBondContact O-CG2 3.44Å; C326-T330 PolarHBondContact O-N 3.5Å; C326-T330 PolarHBondContact O-OG1 3.49Å; A327-T330 WeakPolarHBondContact CA-OG1 3.44Å; A327-T330 PolarHBondContact O-OG1 2.74Å; A327-T330 VanDerWaalsContact O-OG1 3.09Å; T330-N332 PolarHBondContact O-N 3.24Å; T330-L435 HydrophobicContact CG2-CB 4.12Å; T330-R439 PolarHBondContact O-NH1 3.09Å
331	N	63.6	Low	63.3	Low	23 Å²	23	25.4 Å²	25.4	12%	0.123	14%	0.141	C	C	.	.			trans	-97.6	33.6	-163.6	-73.6	-34.1	0	0	0	117.3	L151 A327 S333 G337	L151-N331 HydrophobicContact CD2-CB 3.9Å; A327-N331 WeakPolarHBondContact O-CB 3.45Å; A327-N331 PolarHBondContact O-N 2.93Å; A327-N331 PolarHBondContact O-ND2 3.1Å; N331-S333 PolarHBondContact O-N 2.97Å; N331-S333 VanDerWaalsContact O-O 3.09Å; N331-G337 VanDerWaalsContact OD1-C 3.32Å; N331-G337 VanDerWaalsContact OD1-CA 3.25Å; N331-G337 WeakPolarHBondContact OD1-CA 3.46Å
332	N	53.2	Low	60.8	Low	53 Å²	53	27 Å²	27	28%	0.283	15%	0.15	S	C	.	.			trans	-78	0.1	171	-77.8	-15.3	0	0	0	115.4	R169 R175 T330	R169-N332 PolarHBondContact NE-O 2.92Å; R175-N332 PolarHBondContact NH2-ND2 3.17Å; R175-N332 PolarHBondContact NH2-OD1 2.71Å; T330-N332 PolarHBondContact O-N 3.24Å
333	S	35	Very low	58.3	Low	79 Å²	79	30.8 Å²	30.8	55%	0.552	17%	0.167	S	C	*	.	S	Bend	trans	-82.5	148.7	162.8	-154.3	0	0	0	0	108.1	N331	N331-S333 PolarHBondContact O-N 2.97Å; N331-S333 VanDerWaalsContact O-O 3.09Å
334	P	31	Very low	55.8	Low	54 Å²	54	33.9 Å²	33.9	35%	0.351	18%	0.184	S	C	.	.			trans	-45.2	147.9	-173.4	-15.9	21.6	0	0	0	112.1	R169 E336	R169-P334 VanDerWaalsContact NH2-CA 3.33Å; R169-P334 VanDerWaalsContact NH2-CD 3.28Å; R169-P334 VanDerWaalsContact NH2-N 3.19Å; P334-E336 PolarHBondContact O-N 3.22Å
335	A	32.7	Very low	53.3	Low	6 Å²	6	35.4 Å²	35.4	5%	0.05	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	22.4	-168.9	0	0	0	0	0	117.9	I150 G152 K166 G337	I150-A335 WeakPolarHBondContact O-CB 3.43Å; G152-A335 WeakPolarHBondContact CA-O 3.43Å; K166-A335 HydrophobicContact CG-CB 4.19Å; A335-G337 PolarHBondContact O-N 3.38Å
336	E	30.8	Very low	50.6	Low	109 Å²	109	41.8 Å²	41.8	51%	0.509	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.9	154	-105.9	98.3	-128.7	0	0	111.1	K166 P334 Q340	K166-E336 IonicContact NZ-OE1 3.42Å; K166-E336 PolarHBondContact NZ-OE1 3.4Å; P334-E336 PolarHBondContact O-N 3.22Å; E336-Q340 HydrophobicContact CB-CB 4.49Å; E336-Q340 WeakPolarHBondContact O-CB 2.76Å; E336-Q340 PolarHBondContact O-N 2.76Å
337	G	36.5	Very low	48.1	Very low	13 Å²	13	47 Å²	47	13%	0.134	24%	0.242	C	C	.	.	H	α-helix	trans	-54.9	-54.9	-163.6	0	0	0	0	0	118.2	N331 A335 Q340 W341	N331-G337 VanDerWaalsContact OD1-C 3.32Å; N331-G337 VanDerWaalsContact OD1-CA 3.25Å; N331-G337 WeakPolarHBondContact OD1-CA 3.46Å; A335-G337 PolarHBondContact O-N 3.38Å; G337-Q340 CarbonylContact O-C 3.45Å; G337-Q340 PolarHBondContact O-N 3.23Å; G337-W341 VanDerWaalsContact O-CA 3.31Å; G337-W341 WeakPolarHBondContact O-CA 3.4Å; G337-W341 WeakPolarHBondContact O-CB 3.32Å; G337-W341 PolarHBondContact O-N 3.19Å
338	S	40.7	Very low	45.7	Very low	8 Å²	8	55.6 Å²	55.6	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-45.9	-167.6	53.9	0	0	0	0	114.1	L151 G152 N153 L342	L151-S338 WeakPolarHBondContact O-CA 3.42Å; L151-S338 WeakPolarHBondContact O-CB 3.37Å; L151-S338 PolarHBondContact O-N 3.05Å; L151-S338 PolarHBondContact O-OG 3.25Å; G152-S338 WeakPolarHBondContact CA-OG 3.46Å; G152-S338 PolarHBondContact N-OG 2.96Å; N153-S338 PolarHBondContact N-OG 3.39Å; S338-L342 WeakPolarHBondContact O-CB 2.71Å; S338-L342 PolarHBondContact O-N 3.18Å
339	I	41.1	Very low	43.2	Very low	51 Å²	51	59.9 Å²	59.9	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-73.6	-42.4	174.6	-67.1	-176.7	0	0	0	109	N153 W341 L342 Q343	N153-I339 HydrophobicContact CB-CD1 4.03Å; N153-I339 HydrophobicContact CB-CG1 4.13Å; I339-W341 PolarHBondContact O-N 3.01Å; I339-L342 CarbonylContact O-C 3.5Å; I339-L342 PolarHBondContact O-N 2.97Å; I339-Q343 HydrophobicContact CG2-CG 3.59Å; I339-Q343 VanDerWaalsContact O-CA 3.31Å; I339-Q343 WeakPolarHBondContact O-CA 3.47Å; I339-Q343 WeakPolarHBondContact O-CB 3.49Å; I339-Q343 WeakPolarHBondContact O-CG 3.31Å; I339-Q343 PolarHBondContact O-N 3.26Å
340	Q	37.4	Very low	40.7	Very low	68 Å²	68	68.8 Å²	68.8	32%	0.318	33%	0.332	S	S	.	.	H	α-helix	trans	-66.8	-24.5	176.6	-160.4	83.1	23.8	0	0	112.1	E336 G337 N344	E336-Q340 HydrophobicContact CB-CB 4.49Å; E336-Q340 WeakPolarHBondContact O-CB 2.76Å; E336-Q340 PolarHBondContact O-N 2.76Å; G337-Q340 CarbonylContact O-C 3.45Å; G337-Q340 PolarHBondContact O-N 3.23Å; Q340-N344 PolarHBondContact NE2-OD1 3.31Å; Q340-N344 VanDerWaalsContact O-CA 3.32Å; Q340-N344 WeakPolarHBondContact O-CA 3.32Å; Q340-N344 WeakPolarHBondContact O-CB 3.41Å; Q340-N344 PolarHBondContact O-N 3.33Å; Q340-N344 PolarHBondContact O-ND2 2.97Å; Q340-N344 VanDerWaalsContact O-ND2 3.16Å; Q340-N344 PolarHBondContact O-OD1 3.08Å
341	W	42.3	Very low	38.4	Very low	36 Å²	36	74.5 Å²	74.5	14%	0.136	36%	0.362	C	S	.	.	H	α-helix	trans	-75.8	-49.8	175.3	169.4	80.1	0	0	0	109.5	G337 I339 Q343 N344 I345 A432	G337-W341 VanDerWaalsContact O-CA 3.31Å; G337-W341 WeakPolarHBondContact O-CA 3.4Å; G337-W341 WeakPolarHBondContact O-CB 3.32Å; G337-W341 PolarHBondContact O-N 3.19Å; I339-W341 PolarHBondContact O-N 3.01Å; W341-Q343 VanDerWaalsContact C-N 3.3Å; W341-Q343 PolarHBondContact O-N 2.98Å; W341-N344 PolarHBondContact O-N 3.35Å; W341-I345 HydrophobicContact CD2-CD1 4.14Å; W341-I345 HydrophobicContact CH2-CD1 4.2Å; W341-I345 HydrophobicContact CZ2-CD1 3.8Å; W341-I345 VanDerWaalsContact O-CB 3.31Å; W341-I345 WeakPolarHBondContact O-CB 3.32Å; W341-I345 WeakPolarHBondContact O-CD1 3.48Å; W341-I345 WeakPolarHBondContact O-CG1 3.28Å; W341-I345 PolarHBondContact O-N 3.1Å; W341-A432 HydrophobicContact CH2-CB 4.48Å; W341-A432 HydrophobicContact CZ2-CB 3.57Å
342	L	42.8	Very low	36.8	Very low	35 Å²	35	80.1 Å²	80.1	18%	0.183	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-31	171.3	-74.9	172	0	0	0	112.9	S338 I339 I345 K346 F425	S338-L342 WeakPolarHBondContact O-CB 2.71Å; S338-L342 PolarHBondContact O-N 3.18Å; I339-L342 CarbonylContact O-C 3.5Å; I339-L342 PolarHBondContact O-N 2.97Å; L342-I345 HydrophobicContact CD2-CD1 4.41Å; L342-I345 WeakPolarHBondContact O-CB 3.45Å; L342-I345 WeakPolarHBondContact O-CG2 3.13Å; L342-K346 WeakPolarHBondContact O-CG 3.42Å; L342-K346 PolarHBondContact O-N 3.41Å; L342-K346 VanDerWaalsContact O-N 3.07Å; L342-F425 HydrophobicContact CD2-CE2 4.49Å
343	Q	40.3	Very low	35.6	Very low	78 Å²	78	83.9 Å²	83.9	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-85.4	-30.1	177.7	-74.8	-178.1	-5.7	0	0	111.9	I339 W341 K346 K347	I339-Q343 HydrophobicContact CG2-CG 3.59Å; I339-Q343 VanDerWaalsContact O-CA 3.31Å; I339-Q343 WeakPolarHBondContact O-CA 3.47Å; I339-Q343 WeakPolarHBondContact O-CB 3.49Å; I339-Q343 WeakPolarHBondContact O-CG 3.31Å; I339-Q343 PolarHBondContact O-N 3.26Å; W341-Q343 VanDerWaalsContact C-N 3.3Å; W341-Q343 PolarHBondContact O-N 2.98Å; Q343-K346 CarbonylContact O-C 3.57Å; Q343-K346 WeakPolarHBondContact O-CA 3.45Å; Q343-K346 PolarHBondContact O-N 2.93Å; Q343-K347 WeakPolarHBondContact O-CA 3.22Å; Q343-K347 VanDerWaalsContact O-CB 3.22Å; Q343-K347 WeakPolarHBondContact O-CB 3.35Å; Q343-K347 WeakPolarHBondContact O-CG 3.47Å; Q343-K347 PolarHBondContact O-N 2.93Å
344	N	37.9	Very low	35.1	Very low	72 Å²	72	86.7 Å²	86.7	39%	0.385	43%	0.426	S	S	.	.	H	α-helix	trans	-68.6	-34.3	168.2	-76.1	-14.3	0	0	0	109	Q340 W341 K346 K347 R348	Q340-N344 PolarHBondContact NE2-OD1 3.31Å; Q340-N344 VanDerWaalsContact O-CA 3.32Å; Q340-N344 WeakPolarHBondContact O-CA 3.32Å; Q340-N344 WeakPolarHBondContact O-CB 3.41Å; Q340-N344 PolarHBondContact O-N 3.33Å; Q340-N344 PolarHBondContact O-ND2 2.97Å; Q340-N344 VanDerWaalsContact O-ND2 3.16Å; Q340-N344 PolarHBondContact O-OD1 3.08Å; W341-N344 PolarHBondContact O-N 3.35Å; N344-K346 VanDerWaalsContact C-N 3.3Å; N344-K346 PolarHBondContact O-N 3.37Å; N344-K347 PolarHBondContact O-N 3.37Å; N344-R348 WeakPolarHBondContact O-CB 3.38Å; N344-R348 WeakPolarHBondContact O-CG 3.49Å; N344-R348 PolarHBondContact O-N 3.24Å
345	I	39.3	Very low	34.9	Very low	32 Å²	32	94.6 Å²	94.6	16%	0.164	45%	0.451	C	S	.	.	H	α-helix	trans	-54.4	-46.7	162.7	-79.4	168.2	0	0	0	109.6	W341 L342 K428	W341-I345 HydrophobicContact CD2-CD1 4.14Å; W341-I345 HydrophobicContact CH2-CD1 4.2Å; W341-I345 HydrophobicContact CZ2-CD1 3.8Å; W341-I345 VanDerWaalsContact O-CB 3.31Å; W341-I345 WeakPolarHBondContact O-CB 3.32Å; W341-I345 WeakPolarHBondContact O-CD1 3.48Å; W341-I345 WeakPolarHBondContact O-CG1 3.28Å; W341-I345 PolarHBondContact O-N 3.1Å; L342-I345 HydrophobicContact CD2-CD1 4.41Å; L342-I345 WeakPolarHBondContact O-CB 3.45Å; L342-I345 WeakPolarHBondContact O-CG2 3.13Å; I345-K428 HydrophobicContact CB-CD 3.93Å; I345-K428 HydrophobicContact CD1-CB 4.41Å; I345-K428 HydrophobicContact CG1-CB 4.48Å; I345-K428 HydrophobicContact CG1-CD 3.92Å; I345-K428 HydrophobicContact CG2-CD 3.26Å; I345-K428 PolarHBondContact O-NZ 3.09Å
346	K	36	Very low	34.5	Very low	135 Å²	135	99 Å²	99	59%	0.587	48%	0.481	S	S	*	.	H	α-helix	trans	-76.8	-30.7	177	-69.4	178.3	179.4	176.7	0	115.8	L342 Q343 N344	L342-K346 WeakPolarHBondContact O-CG 3.42Å; L342-K346 PolarHBondContact O-N 3.41Å; L342-K346 VanDerWaalsContact O-N 3.07Å; Q343-K346 CarbonylContact O-C 3.57Å; Q343-K346 WeakPolarHBondContact O-CA 3.45Å; Q343-K346 PolarHBondContact O-N 2.93Å; N344-K346 VanDerWaalsContact C-N 3.3Å; N344-K346 PolarHBondContact O-N 3.37Å
347	K	35	Very low	34.1	Very low	111 Å²	111	101.3 Å²	101.3	48%	0.483	50%	0.497	S	S	.	.	H	α-helix	trans	-86.6	-29.9	-170.8	-87.3	-176.1	172	179	0	112.7	Q343 N344 D349 Y350	Q343-K347 WeakPolarHBondContact O-CA 3.22Å; Q343-K347 VanDerWaalsContact O-CB 3.22Å; Q343-K347 WeakPolarHBondContact O-CB 3.35Å; Q343-K347 WeakPolarHBondContact O-CG 3.47Å; Q343-K347 PolarHBondContact O-N 2.93Å; N344-K347 PolarHBondContact O-N 3.37Å; K347-D349 PolarHBondContact O-N 2.91Å; K347-Y350 PolarHBondContact O-N 3.03Å
348	R	33.7	Very low	33.5	Very low	181 Å²	181	107.3 Å²	107.3	68%	0.683	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-11.3	173.1	-80.4	-172.1	178	177	0.4	113.5	N344	N344-R348 WeakPolarHBondContact O-CB 3.38Å; N344-R348 WeakPolarHBondContact O-CG 3.49Å; N344-R348 PolarHBondContact O-N 3.24Å
349	D	36	Very low	32.6	Very low	92 Å²	92	114 Å²	114	49%	0.492	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.1	-8.2	172.7	-64	-43.8	0	0	0	113.3	K347 L424 K428	K347-D349 PolarHBondContact O-N 2.91Å; D349-L424 WeakPolarHBondContact OD2-CD2 3.32Å; D349-K428 IonicContact OD2-NZ 3.15Å; D349-K428 PolarHBondContact OD2-NZ 3.37Å
350	Y	33.5	Very low	31.8	Very low	189 Å²	189	117.9 Å²	117.9	74%	0.741	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-19.9	179.7	-80.8	-81.3	0	0	0	114.9	K347 N352 D353	K347-Y350 PolarHBondContact O-N 3.03Å; Y350-N352 PolarHBondContact O-N 3.08Å; Y350-D353 PolarHBondContact O-N 3.12Å
351	D	27.2	Very low	30.9	Very low	140 Å²	140	121.8 Å²	121.8	75%	0.749	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	9.2	-175.4	-74.9	-25.1	0	0	0	114.9
352	N	31	Very low	29.9	Very low	140 Å²	140	130.5 Å²	130.5	75%	0.749	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-0.4	170.8	-83.9	-15.1	0	0	0	114.6	Y350	Y350-N352 PolarHBondContact O-N 3.08Å
353	D	28.3	Very low	28.9	Very low	133 Å²	133	134.9 Å²	134.9	71%	0.711	68%	0.677	S	S	*	*	S	Bend	trans	-119.4	91.5	171.9	-71.7	-34.4	0	0	0	109.3	Y350 Y355	Y350-D353 PolarHBondContact O-N 3.12Å; D353-Y355 VanDerWaalsContact C-N 3.3Å; D353-Y355 PolarHBondContact O-N 3.28Å
354	T	24.5	Very low	28	Very low	138 Å²	138	138.4 Å²	138.4	85%	0.847	70%	0.698	S	S	*	*			trans	-53.5	92.9	161	26.4	0	0	0	0	109.5
355	Y	26.1	Very low	27.3	Very low	220 Å²	220	140.2 Å²	140.2	86%	0.863	72%	0.715	S	S	*	*			trans	-143.7	119.5	155.1	-95.5	-79.4	0	0	0	110.2	D353	D353-Y355 VanDerWaalsContact C-N 3.3Å; D353-Y355 PolarHBondContact O-N 3.28Å
356	S	23.4	Very low	26.5	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	75%	0.747	S	S	*	*			trans	-38.5	142.7	172.3	51.9	0	0	0	0	115.7
357	N	24.4	Very low	25.9	Very low	157 Å²	157	149.3 Å²	149.3	84%	0.84	76%	0.756	S	S	*	*			trans	42.4	102.9	153.2	-82.5	-8.7	0	0	0	116.9
358	T	23.2	Very low	25.3	Very low	139 Å²	139	150.9 Å²	150.9	85%	0.853	77%	0.77	S	S	*	*			trans	-157.3	132.4	139.6	14.2	0	0	0	0	110.6
359	D	22.1	Very low	24.7	Very low	150 Å²	150	150.1 Å²	150.1	80%	0.802	78%	0.777	S	S	*	*			trans	-52.5	150.1	-179.2	-67.5	-63.3	0	0	0	113.9	L361	D359-L361 PolarHBondContact O-N 2.91Å
360	V	23.1	Very low	24.2	Very low	132 Å²	132	153.1 Å²	153.1	80%	0.8	79%	0.792	S	S	*	*			trans	-54.7	87.8	-179.6	-178	0	0	0	0	111.2	Y362	V360-Y362 HydrophobicContact CG1-CD2 4.32Å; V360-Y362 HydrophobicContact CG1-CE2 4.46Å; V360-Y362 PolarHBondContact O-N 3.02Å
361	L	19.9	Very low	23.7	Very low	150 Å²	150	152.1 Å²	152.1	79%	0.785	79%	0.794	S	S	*	*			trans	-80.1	101.5	170.1	-82.9	163.7	0	0	0	109.8	D359 V363	D359-L361 PolarHBondContact O-N 2.91Å; L361-V363 PolarHBondContact O-N 3.38Å
362	Y	20.9	Very low	23.5	Very low	218 Å²	218	154.9 Å²	154.9	86%	0.855	80%	0.802	S	S	*	*			trans	-56.5	104	161.4	-96.5	-98.6	0	0	0	109.2	V360 N364	V360-Y362 HydrophobicContact CG1-CD2 4.32Å; V360-Y362 HydrophobicContact CG1-CE2 4.46Å; V360-Y362 PolarHBondContact O-N 3.02Å; Y362-N364 PolarHBondContact O-N 3.37Å
363	V	22	Very low	23.2	Very low	127 Å²	127	154.5 Å²	154.5	77%	0.77	81%	0.805	S	S	*	*			trans	-70.4	97.4	176.9	179.8	0	0	0	0	109.2	L361 C365	L361-V363 PolarHBondContact O-N 3.38Å; V363-C365 PolarHBondContact O-N 3.23Å
364	N	21.3	Very low	23.1	Very low	153 Å²	153	156 Å²	156	82%	0.818	81%	0.813	S	S	*	*			trans	-74.1	105.3	170	-148.7	-7.5	0	0	0	108.1	Y362 K366	Y362-N364 PolarHBondContact O-N 3.37Å; N364-K366 PolarHBondContact O-N 2.87Å
365	C	22.8	Very low	23.2	Very low	110 Å²	110	156.3 Å²	156.3	74%	0.743	81%	0.81	S	S	*	*			trans	-67.2	91.2	-179.2	-66.5	0	0	0	0	111.2	V363	V363-C365 PolarHBondContact O-N 3.23Å
366	K	21.6	Very low	23.2	Very low	190 Å²	190	153.2 Å²	153.2	83%	0.826	81%	0.808	S	S	*	*			trans	-89.5	128	158.9	-88.8	-175.7	174.4	179.5	0	109.7	N364 N368	N364-K366 PolarHBondContact O-N 2.87Å; K366-N368 PolarHBondContact O-N 3.38Å; K366-N368 VanDerWaalsContact O-N 3.16Å
367	E	23.3	Very low	23.5	Very low	167 Å²	167	153.9 Å²	153.9	78%	0.78	81%	0.808	S	S	*	*			trans	-55.8	105.1	177.4	-67.6	162	166.7	0	0	110.3
368	N	22.7	Very low	23.5	Very low	145 Å²	145	155.6 Å²	155.6	78%	0.775	81%	0.811	S	S	*	*			trans	-96.9	114.4	164.8	-83	-11.1	0	0	0	108.6	K366 I370	K366-N368 PolarHBondContact O-N 3.38Å; K366-N368 VanDerWaalsContact O-N 3.16Å; N368-I370 PolarHBondContact O-N 3.31Å
369	I	21.9	Very low	23.7	Very low	164 Å²	164	158.8 Å²	158.8	84%	0.841	81%	0.809	S	S	*	*			trans	-62.1	109.1	169.8	-63.3	164.2	0	0	0	107
370	I	25.8	Very low	24	Very low	155 Å²	155	158.3 Å²	158.3	80%	0.795	81%	0.806	S	S	*	*			trans	-95.4	113.7	172.8	-62.2	174.7	0	0	0	106.8	N368	N368-I370 PolarHBondContact O-N 3.31Å
371	Q	21.5	Very low	24.3	Very low	168 Å²	168	159.1 Å²	159.1	79%	0.785	80%	0.804	S	S	*	*			trans	-62.9	129.7	174.3	-75.3	174	-34.3	0	0	110.2	T373	Q371-T373 PolarHBondContact O-N 3.44Å
372	E	23	Very low	24.6	Very low	198 Å²	198	160.3 Å²	160.3	93%	0.925	81%	0.806	S	S	*	*			trans	-63.1	118.8	175.7	-68.6	175.6	152.2	0	0	110.5
373	T	25.4	Very low	25	Very low	132 Å²	132	154.8 Å²	154.8	81%	0.81	80%	0.799	S	S	*	*			trans	-114.5	106.9	166.1	55.9	0	0	0	0	110.4	Q371	Q371-T373 PolarHBondContact O-N 3.44Å
374	N	25.4	Very low	25.3	Very low	164 Å²	164	155.2 Å²	155.2	88%	0.877	80%	0.795	S	S	*	*			trans	41.4	116.9	153	-83.2	-19.4	0	0	0	121.5
375	N	28.1	Very low	25.6	Very low	146 Å²	146	157.9 Å²	157.9	78%	0.781	80%	0.795	S	S	*	*			trans	-52.2	136.8	158.9	-64.6	-38	0	0	0	113
376	N	26.5	Very low	25.8	Very low	155 Å²	155	158.4 Å²	158.4	83%	0.829	80%	0.795	S	S	*	*			trans	147.8	80.1	135.4	-77.6	-17.5	0	0	0	111.5
377	V	27.9	Very low	26.1	Very low	112 Å²	112	157.9 Å²	157.9	68%	0.679	80%	0.795	S	S	*	*			trans	-151.8	107	143	-170.3	0	0	0	0	108.3	Y379	V377-Y379 HydrophobicContact CG1-CD2 3.34Å; V377-Y379 HydrophobicContact CG1-CE2 3.57Å; V377-Y379 HydrophobicContact CG1-CG 4.48Å
378	Q	24.7	Very low	26.3	Very low	192 Å²	192	156.9 Å²	156.9	90%	0.897	79%	0.793	S	S	*	*			trans	-104	92.1	179.2	-168.8	164.1	-9.4	0	0	107.7
379	Y	28.4	Very low	26.7	Very low	206 Å²	206	156.9 Å²	156.9	81%	0.808	79%	0.792	S	S	*	*			trans	-102.2	129.4	171.8	-89.6	-71.3	0	0	0	111.4	V377 I381	V377-Y379 HydrophobicContact CG1-CD2 3.34Å; V377-Y379 HydrophobicContact CG1-CE2 3.57Å; V377-Y379 HydrophobicContact CG1-CG 4.48Å; Y379-I381 PolarHBondContact O-N 3.42Å
380	N	27	Very low	26.9	Very low	140 Å²	140	157 Å²	157	75%	0.749	79%	0.794	S	S	*	*			trans	-58.1	109.4	-175	-71.2	-39.8	0	0	0	113.3	H382	N380-H382 PolarHBondContact O-N 3.09Å; N380-H382 VanDerWaalsContact O-N 3.13Å
381	I	30.5	Very low	27.1	Very low	149 Å²	149	152.8 Å²	152.8	76%	0.764	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-64.1	-11.4	176.6	-70.7	168.2	0	0	0	113	Y379 S383	Y379-I381 PolarHBondContact O-N 3.42Å; I381-S383 VanDerWaalsContact C-N 3.32Å; I381-S383 PolarHBondContact O-N 3.18Å
382	H	26.9	Very low	27.6	Very low	176 Å²	176	151.8 Å²	151.8	82%	0.815	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-72.3	-17	-174	-121.9	69.1	0	0	0	115.2	N380 I384	N380-H382 PolarHBondContact O-N 3.09Å; N380-H382 VanDerWaalsContact O-N 3.13Å; H382-I384 PolarHBondContact O-N 2.98Å
383	S	28.4	Very low	28	Very low	101 Å²	101	150.3 Å²	150.3	71%	0.706	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-79	-14.2	-177.3	-170.8	0	0	0	0	114.7	I381	I381-S383 VanDerWaalsContact C-N 3.32Å; I381-S383 PolarHBondContact O-N 3.18Å
384	I	29	Very low	28.8	Very low	136 Å²	136	151.6 Å²	151.6	70%	0.697	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-84.4	-15	-172.2	-65.4	174.8	0	0	0	112.3	H382 V386	H382-I384 PolarHBondContact O-N 2.98Å; I384-V386 PolarHBondContact O-N 3.42Å
385	Y	26.9	Very low	29.4	Very low	209 Å²	209	153.1 Å²	153.1	82%	0.82	78%	0.779	S	S	*	*	S	Bend	trans	-81.3	-14.1	-171.4	-120.4	-89.1	0	0	0	115.8
386	V	26.8	Very low	30.2	Very low	121 Å²	121	151.6 Å²	151.6	73%	0.733	77%	0.767	S	S	*	*	S	Bend	trans	-94.1	-15.2	-168.5	179	0	0	0	0	114.5	I384 I388	I384-V386 PolarHBondContact O-N 3.42Å; V386-I388 PolarHBondContact O-N 2.99Å
387	H	27.3	Very low	30.8	Very low	180 Å²	180	151.6 Å²	151.6	83%	0.833	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	11.6	-174.4	-93.2	-64.8	0	0	0	116.7
388	I	28.8	Very low	31.6	Very low	145 Å²	145	156.4 Å²	156.4	74%	0.744	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	3.4	-174.7	-67	175.9	0	0	0	113.9	V386	V386-I388 PolarHBondContact O-N 2.99Å
389	I	29.9	Very low	32.7	Very low	145 Å²	145	151.6 Å²	151.6	74%	0.744	74%	0.742	S	S	*	*	S	Bend	trans	-110.2	122.4	-179.7	-62.9	-178.7	0	0	0	111
390	L	26.3	Very low	33.7	Very low	167 Å²	167	146 Å²	146	87%	0.874	73%	0.725	S	S	*	*			trans	93	113.3	167	-66.3	149.3	0	0	0	118
391	G	30.3	Very low	34.6	Very low	66 Å²	66	142.4 Å²	142.4	68%	0.68	71%	0.705	S	S	*	*				80.9	112.8	125.1	0	0	0	0	0	117.7
392	D	32.1	Very low	35.3	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	70%	0.702	S	S	*	*			trans	93.6	116.4	140.9	-73.5	-1.1	0	0	0	121.2
393	F	31.7	Very low	36.3	Very low	167 Å²	167	140.5 Å²	140.5	73%	0.732	69%	0.687	S	S	*	*			trans	73.3	89.7	157.4	-71	-82.4	0	0	0	120	F395	F393-F395 PolarHBondContact O-N 3.42Å
394	I	42.4	Very low	37.1	Very low	159 Å²	159	140.7 Å²	140.7	82%	0.815	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	27.4	-29.3	132.4	-69.1	168	0	0	0	120.8
395	F	37.5	Very low	38	Very low	196 Å²	196	138.1 Å²	138.1	86%	0.86	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-30.7	176.4	-127	-94.8	0	0	0	113	F393 Y397	F393-F395 PolarHBondContact O-N 3.42Å; F395-Y397 VanDerWaalsContact C-N 3.29Å; F395-Y397 PolarHBondContact O-N 3.33Å
396	E	44.2	Very low	39	Very low	113 Å²	113	132.1 Å²	132.1	53%	0.528	65%	0.646	S	S	.	*	H	α-helix	trans	-67.4	-23.4	178.2	-83.9	-81.4	153.4	0	0	113.2	R398 L399 I400	E396-R398 VanDerWaalsContact C-N 3.28Å; E396-R398 PolarHBondContact O-N 2.97Å; E396-L399 PolarHBondContact O-N 2.75Å; E396-I400 HydrophobicContact CB-CD1 4.08Å; E396-I400 WeakPolarHBondContact O-CB 3.33Å; E396-I400 VanDerWaalsContact O-CG1 3.3Å; E396-I400 WeakPolarHBondContact O-CG1 3.37Å; E396-I400 PolarHBondContact O-N 3.05Å
397	Y	40.5	Very low	40.1	Very low	156 Å²	156	129.9 Å²	129.9	61%	0.612	63%	0.632	S	S	*	*	H	α-helix	trans	-61	-34.3	-175.4	-159.2	-91.5	0	0	0	113	F395 M401	F395-Y397 VanDerWaalsContact C-N 3.29Å; F395-Y397 PolarHBondContact O-N 3.33Å; Y397-M401 HydrophobicContact CD1-CG 3.72Å; Y397-M401 HydrophobicContact CE1-CG 3.52Å; Y397-M401 HydrophobicContact CE1-SD 4.07Å; Y397-M401 VanDerWaalsContact O-CB 3.31Å; Y397-M401 WeakPolarHBondContact O-CB 3.41Å; Y397-M401 VanDerWaalsContact O-CG 3.23Å; Y397-M401 WeakPolarHBondContact O-CG 3.48Å; Y397-M401 PolarHBondContact O-N 2.77Å
398	R	43.8	Very low	41.1	Very low	213 Å²	213	122.9 Å²	122.9	80%	0.804	60%	0.6	S	S	*	*	H	α-helix	trans	-71.1	-36.2	176.3	-82.8	-173.2	169.1	178.7	-1.8	112.6	E396 R402	E396-R398 VanDerWaalsContact C-N 3.28Å; E396-R398 PolarHBondContact O-N 2.97Å; R398-R402 WeakPolarHBondContact O-CB 3.44Å; R398-R402 PolarHBondContact O-N 3.24Å
399	L	48.9	Very low	41.8	Very low	90 Å²	90	125 Å²	125	47%	0.471	60%	0.599	S	S	.	*	H	α-helix	trans	-72.4	-43.6	175.9	-169.9	67.6	0	0	0	110	E396 M401 R402 I403	E396-L399 PolarHBondContact O-N 2.75Å; L399-M401 VanDerWaalsContact C-N 3.34Å; L399-M401 PolarHBondContact O-N 3.23Å; L399-R402 CarbonylContact O-C 3.53Å; L399-R402 PolarHBondContact O-N 2.87Å; L399-R402 VanDerWaalsContact O-N 3.14Å; L399-I403 HydrophobicContact CD2-CD1 4.46Å; L399-I403 HydrophobicContact CG-CD1 3.97Å; L399-I403 HydrophobicContact CG-CG1 4.48Å; L399-I403 WeakPolarHBondContact O-CB 3.46Å; L399-I403 VanDerWaalsContact O-CG1 3.3Å; L399-I403 WeakPolarHBondContact O-CG1 3.16Å; L399-I403 PolarHBondContact O-N 2.81Å
400	I	49	Very low	42.3	Very low	88 Å²	88	124.9 Å²	124.9	45%	0.451	59%	0.593	S	S	.	*	H	α-helix	trans	-57.4	-45.9	172.7	-67.8	167.3	0	0	0	110.5	E396 R402 I403 Y404	E396-I400 HydrophobicContact CB-CD1 4.08Å; E396-I400 WeakPolarHBondContact O-CB 3.33Å; E396-I400 VanDerWaalsContact O-CG1 3.3Å; E396-I400 WeakPolarHBondContact O-CG1 3.37Å; E396-I400 PolarHBondContact O-N 3.05Å; I400-R402 PolarHBondContact O-N 3.15Å; I400-I403 PolarHBondContact O-N 2.93Å; I400-Y404 WeakPolarHBondContact O-CA 3.31Å; I400-Y404 WeakPolarHBondContact O-CB 3.37Å; I400-Y404 PolarHBondContact O-N 3.31Å
401	M	44.8	Very low	43.1	Very low	66 Å²	66	119.4 Å²	119.4	33%	0.325	57%	0.567	S	S	.	*	H	α-helix	trans	-68.1	-33.4	177.2	-74	-63.9	-78.5	0	0	112.5	Y397 L399 N405	Y397-M401 HydrophobicContact CD1-CG 3.72Å; Y397-M401 HydrophobicContact CE1-CG 3.52Å; Y397-M401 HydrophobicContact CE1-SD 4.07Å; Y397-M401 VanDerWaalsContact O-CB 3.31Å; Y397-M401 WeakPolarHBondContact O-CB 3.41Å; Y397-M401 VanDerWaalsContact O-CG 3.23Å; Y397-M401 WeakPolarHBondContact O-CG 3.48Å; Y397-M401 PolarHBondContact O-N 2.77Å; L399-M401 VanDerWaalsContact C-N 3.34Å; L399-M401 PolarHBondContact O-N 3.23Å; M401-N405 VanDerWaalsContact O-CB 3.24Å; M401-N405 WeakPolarHBondContact O-CB 3.42Å; M401-N405 VanDerWaalsContact O-CG 3.24Å; M401-N405 PolarHBondContact O-N 3.49Å; M401-N405 PolarHBondContact O-ND2 3.37Å
402	R	45	Very low	43.6	Very low	189 Å²	189	119.2 Å²	119.2	71%	0.713	55%	0.552	S	S	*	*	H	α-helix	trans	-67.9	-44.2	172.1	-93.7	178.8	160.5	164.2	-5.1	111.9	R398 L399 I400 N405 V406	R398-R402 WeakPolarHBondContact O-CB 3.44Å; R398-R402 PolarHBondContact O-N 3.24Å; L399-R402 CarbonylContact O-C 3.53Å; L399-R402 PolarHBondContact O-N 2.87Å; L399-R402 VanDerWaalsContact O-N 3.14Å; I400-R402 PolarHBondContact O-N 3.15Å; R402-N405 PolarHBondContact O-N 3.39Å; R402-V406 WeakPolarHBondContact O-CB 3.46Å; R402-V406 WeakPolarHBondContact O-CG2 3.4Å; R402-V406 PolarHBondContact O-N 3.2Å
403	I	48.8	Very low	44.1	Very low	96 Å²	96	120 Å²	120	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-63.9	-45	174.9	-67.6	168.8	0	0	0	109.2	L399 I400 N405 V406 V407	L399-I403 HydrophobicContact CD2-CD1 4.46Å; L399-I403 HydrophobicContact CG-CD1 3.97Å; L399-I403 HydrophobicContact CG-CG1 4.48Å; L399-I403 WeakPolarHBondContact O-CB 3.46Å; L399-I403 VanDerWaalsContact O-CG1 3.3Å; L399-I403 WeakPolarHBondContact O-CG1 3.16Å; L399-I403 PolarHBondContact O-N 2.81Å; I400-I403 PolarHBondContact O-N 2.93Å; I403-N405 VanDerWaalsContact C-N 3.34Å; I403-N405 PolarHBondContact O-N 3.46Å; I403-V406 PolarHBondContact O-N 2.98Å; I403-V407 HydrophobicContact CG2-CG2 3.97Å; I403-V407 VanDerWaalsContact O-CB 3.23Å; I403-V407 WeakPolarHBondContact O-CB 3.43Å; I403-V407 WeakPolarHBondContact O-CG2 3.47Å; I403-V407 PolarHBondContact O-N 3.44Å
404	Y	46	Very low	44.6	Very low	105 Å²	105	122.4 Å²	122.4	41%	0.412	56%	0.555	S	S	.	*	H	α-helix	trans	-57.9	-45	175	-172.5	-101.6	0	0	0	111	I400 I408	I400-Y404 WeakPolarHBondContact O-CA 3.31Å; I400-Y404 WeakPolarHBondContact O-CB 3.37Å; I400-Y404 PolarHBondContact O-N 3.31Å; Y404-I408 HydrophobicContact CD1-CD1 3.6Å; Y404-I408 HydrophobicContact CD1-CG1 4.39Å; Y404-I408 HydrophobicContact CE1-CD1 3.16Å; Y404-I408 HydrophobicContact CE1-CG1 4.24Å; Y404-I408 HydrophobicContact CE2-CD1 4.35Å; Y404-I408 HydrophobicContact CG-CD1 4.36Å; Y404-I408 WeakPolarHBondContact O-CB 3.49Å; Y404-I408 WeakPolarHBondContact O-CG1 3.5Å; Y404-I408 PolarHBondContact O-N 3.16Å
405	N	46.2	Very low	44.2	Very low	82 Å²	82	117.9 Å²	117.9	44%	0.439	53%	0.532	S	S	.	.	H	α-helix	trans	-69.8	-36.5	176.6	-78.5	-26.1	0	0	0	113.3	M401 R402 I403 R409	M401-N405 VanDerWaalsContact O-CB 3.24Å; M401-N405 WeakPolarHBondContact O-CB 3.42Å; M401-N405 VanDerWaalsContact O-CG 3.24Å; M401-N405 PolarHBondContact O-N 3.49Å; M401-N405 PolarHBondContact O-ND2 3.37Å; R402-N405 PolarHBondContact O-N 3.39Å; I403-N405 VanDerWaalsContact C-N 3.34Å; I403-N405 PolarHBondContact O-N 3.46Å; N405-R409 WeakPolarHBondContact O-CB 3.47Å; N405-R409 WeakPolarHBondContact O-CG 3.44Å; N405-R409 PolarHBondContact O-N 3.06Å
406	V	49.9	Very low	44.6	Very low	83 Å²	83	112.5 Å²	112.5	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-70.9	-43.9	176.3	169.7	0	0	0	0	110.6	R402 I403 I408 R409 F410	R402-V406 WeakPolarHBondContact O-CB 3.46Å; R402-V406 WeakPolarHBondContact O-CG2 3.4Å; R402-V406 PolarHBondContact O-N 3.2Å; I403-V406 PolarHBondContact O-N 2.98Å; V406-I408 VanDerWaalsContact C-N 3.35Å; V406-R409 PolarHBondContact O-N 3.04Å; V406-F410 HydrophobicContact CG1-CD2 4.28Å; V406-F410 PolarHBondContact O-N 3.03Å
407	V	49.8	Very low	44.5	Very low	73 Å²	73	116.1 Å²	116.1	44%	0.442	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-41.2	173.7	173.4	0	0	0	0	109.8	I403 F410 T411	I403-V407 HydrophobicContact CG2-CG2 3.97Å; I403-V407 VanDerWaalsContact O-CB 3.23Å; I403-V407 WeakPolarHBondContact O-CB 3.43Å; I403-V407 WeakPolarHBondContact O-CG2 3.47Å; I403-V407 PolarHBondContact O-N 3.44Å; V407-F410 PolarHBondContact O-N 2.91Å; V407-T411 HydrophobicContact CG1-CG2 4.09Å; V407-T411 VanDerWaalsContact O-CB 3.26Å; V407-T411 WeakPolarHBondContact O-CB 3.27Å; V407-T411 VanDerWaalsContact O-CG2 3.32Å; V407-T411 WeakPolarHBondContact O-CG2 3.44Å; V407-T411 PolarHBondContact O-N 2.93Å; V407-T411 PolarHBondContact O-OG1 2.89Å
408	I	48.3	Very low	44.6	Very low	33 Å²	33	112.1 Å²	112.1	17%	0.169	51%	0.511	C	S	.	.	H	α-helix	trans	-60.1	-48.2	170.8	-79.5	-179.4	0	0	0	110.2	Y404 V406 F410 T411 V412 F420	Y404-I408 HydrophobicContact CD1-CD1 3.6Å; Y404-I408 HydrophobicContact CD1-CG1 4.39Å; Y404-I408 HydrophobicContact CE1-CD1 3.16Å; Y404-I408 HydrophobicContact CE1-CG1 4.24Å; Y404-I408 HydrophobicContact CE2-CD1 4.35Å; Y404-I408 HydrophobicContact CG-CD1 4.36Å; Y404-I408 WeakPolarHBondContact O-CB 3.49Å; Y404-I408 WeakPolarHBondContact O-CG1 3.5Å; Y404-I408 PolarHBondContact O-N 3.16Å; V406-I408 VanDerWaalsContact C-N 3.35Å; I408-F410 VanDerWaalsContact C-N 3.34Å; I408-F410 PolarHBondContact O-N 3.21Å; I408-T411 WeakPolarHBondContact CA-OG1 3.45Å; I408-T411 PolarHBondContact O-N 3.39Å; I408-T411 PolarHBondContact O-OG1 3.31Å; I408-V412 HydrophobicContact CG2-CG2 3.79Å; I408-V412 WeakPolarHBondContact O-CA 3.4Å; I408-V412 WeakPolarHBondContact O-CB 3.39Å; I408-V412 WeakPolarHBondContact O-CG2 3.4Å; I408-V412 PolarHBondContact O-N 2.77Å; I408-F420 HydrophobicContact CD1-CE2 4.4Å; I408-F420 HydrophobicContact CD1-CZ 4.37Å; I408-F420 HydrophobicContact CG1-CE2 4.21Å; I408-F420 HydrophobicContact CG2-CE2 3.83Å; I408-F420 HydrophobicContact CG2-CZ 3.76Å
409	R	42.9	Very low	44.5	Very low	189 Å²	189	104.5 Å²	104.5	71%	0.713	48%	0.484	S	S	*	.	H	α-helix	trans	-59.9	-43.6	178.4	-79.8	-174.4	-175	-168.4	2.5	112.3	N405 V406 Q413	N405-R409 WeakPolarHBondContact O-CB 3.47Å; N405-R409 WeakPolarHBondContact O-CG 3.44Å; N405-R409 PolarHBondContact O-N 3.06Å; V406-R409 PolarHBondContact O-N 3.04Å; R409-Q413 PolarHBondContact O-N 2.77Å
410	F	40.8	Very low	44.3	Very low	144 Å²	144	102.4 Å²	102.4	63%	0.632	47%	0.471	S	S	*	.	H	α-helix	trans	-70.3	-38.7	177.8	-102.3	-80.8	0	0	0	112.8	V406 V407 I408 Q413 R414	V406-F410 HydrophobicContact CG1-CD2 4.28Å; V406-F410 PolarHBondContact O-N 3.03Å; V407-F410 PolarHBondContact O-N 2.91Å; I408-F410 VanDerWaalsContact C-N 3.34Å; I408-F410 PolarHBondContact O-N 3.21Å; F410-Q413 PolarHBondContact O-N 3.21Å; F410-R414 PolarHBondContact O-N 3.02Å
411	T	42.1	Very low	44.3	Very low	51 Å²	51	100.8 Å²	100.8	31%	0.313	47%	0.471	S	S	.	.	H	α-helix	trans	-73.9	-33.2	176.2	51.1	0	0	0	0	111.7	V407 I408 Q413 R414 L415	V407-T411 HydrophobicContact CG1-CG2 4.09Å; V407-T411 VanDerWaalsContact O-CB 3.26Å; V407-T411 WeakPolarHBondContact O-CB 3.27Å; V407-T411 VanDerWaalsContact O-CG2 3.32Å; V407-T411 WeakPolarHBondContact O-CG2 3.44Å; V407-T411 PolarHBondContact O-N 2.93Å; V407-T411 PolarHBondContact O-OG1 2.89Å; I408-T411 WeakPolarHBondContact CA-OG1 3.45Å; I408-T411 PolarHBondContact O-N 3.39Å; I408-T411 PolarHBondContact O-OG1 3.31Å; T411-Q413 VanDerWaalsContact C-N 3.26Å; T411-Q413 PolarHBondContact O-N 3.04Å; T411-R414 CarbonylContact O-C 3.55Å; T411-R414 PolarHBondContact O-N 3.26Å; T411-L415 WeakPolarHBondContact O-CB 3.45Å; T411-L415 WeakPolarHBondContact O-CG 3.38Å; T411-L415 PolarHBondContact O-N 3.32Å
412	V	40.7	Very low	44.5	Very low	63 Å²	63	99.3 Å²	99.3	38%	0.382	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-31.2	173	166.3	0	0	0	0	111.7	I408 R414 F420	I408-V412 HydrophobicContact CG2-CG2 3.79Å; I408-V412 WeakPolarHBondContact O-CA 3.4Å; I408-V412 WeakPolarHBondContact O-CB 3.39Å; I408-V412 WeakPolarHBondContact O-CG2 3.4Å; I408-V412 PolarHBondContact O-N 2.77Å; V412-R414 VanDerWaalsContact C-N 3.32Å; V412-F420 HydrophobicContact CG2-CD1 4.13Å; V412-F420 HydrophobicContact CG2-CD2 3.6Å; V412-F420 HydrophobicContact CG2-CE1 4.16Å; V412-F420 HydrophobicContact CG2-CE2 3.64Å; V412-F420 HydrophobicContact CG2-CG 3.85Å; V412-F420 HydrophobicContact CG2-CZ 3.92Å
413	Q	44	Very low	44.7	Very low	163 Å²	163	94.6 Å²	94.6	76%	0.762	45%	0.448	S	S	*	.	H	α-helix	trans	-71.2	-27.2	171.6	-95	-178.3	-18	0	0	113.2	R409 F410 T411	R409-Q413 PolarHBondContact O-N 2.77Å; F410-Q413 PolarHBondContact O-N 3.21Å; T411-Q413 VanDerWaalsContact C-N 3.26Å; T411-Q413 PolarHBondContact O-N 3.04Å
414	R	41.4	Very low	44.9	Very low	219 Å²	219	91.8 Å²	91.8	83%	0.826	43%	0.434	S	S	*	.	H	α-helix	trans	-102.8	-30.7	-171.9	-133.9	175.4	-177.9	158.3	0.7	113.8	F410 T411 V412	F410-R414 PolarHBondContact O-N 3.02Å; T411-R414 CarbonylContact O-C 3.55Å; T411-R414 PolarHBondContact O-N 3.26Å; V412-R414 VanDerWaalsContact C-N 3.32Å
415	L	34.8	Very low	45.3	Very low	63 Å²	63	88 Å²	88	33%	0.33	42%	0.42	S	S	.	.	S	Bend	trans	-84.3	130.7	175.6	-68.5	172.3	0	0	0	108.1	T411 K417 E419	T411-L415 WeakPolarHBondContact O-CB 3.45Å; T411-L415 WeakPolarHBondContact O-CG 3.38Å; T411-L415 PolarHBondContact O-N 3.32Å; L415-K417 PolarHBondContact O-N 2.92Å; L415-E419 WeakPolarHBondContact CA-OE2 3.45Å; L415-E419 HydrophobicContact CB-CB 3.93Å; L415-E419 WeakPolarHBondContact CB-OE2 3.24Å; L415-E419 HydrophobicContact CD2-CB 4.12Å; L415-E419 HydrophobicContact CD2-CG 4.46Å; L415-E419 WeakPolarHBondContact CD2-OE2 3.36Å; L415-E419 HydrophobicContact CG-CB 4.46Å
416	N	44.6	Very low	45.9	Very low	84 Å²	84	85.5 Å²	85.5	45%	0.449	41%	0.406	S	S	.	.			trans	-55.8	139.3	174.1	-68.2	-61.5	0	0	0	108.4	W418 E419	N416-W418 VanDerWaalsContact CB-CD1 3.46Å; N416-W418 HydrophobicContact CB-CG 4.37Å; N416-W418 HydrophobicContact CB-CZ2 4.31Å; N416-W418 CarbonylContact O-C 3.51Å; N416-W418 PolarHBondContact O-N 2.88Å; N416-E419 PolarHBondContact N-OE2 3.36Å; N416-E419 WeakPolarHBondContact O-CB 3.39Å; N416-E419 PolarHBondContact O-N 2.99Å
417	K	43.5	Very low	46.3	Very low	189 Å²	189	86.8 Å²	86.8	82%	0.822	41%	0.405	S	S	*	.	H	α-helix	trans	-44.7	-26.6	-175.9	-76.2	178.9	176.1	176.4	0	115.3	L415 A421	L415-K417 PolarHBondContact O-N 2.92Å; K417-A421 WeakPolarHBondContact O-CB 3.22Å; K417-A421 PolarHBondContact O-N 3.36Å
418	W	42.3	Very low	47	Very low	72 Å²	72	85 Å²	85	27%	0.273	39%	0.391	S	S	.	.	H	α-helix	trans	-80.1	-31	176.9	68.2	-92.7	0	0	0	114	R243 N265 N416 F420 A421 H422	R243-W418 VanDerWaalsContact NH2-CZ2 3.27Å; N265-W418 HydrophobicContact CB-CH2 3.94Å; N265-W418 HydrophobicContact CB-CZ2 4.04Å; N265-W418 VanDerWaalsContact CG-CZ3 3.45Å; N265-W418 WeakPolarHBondContact ND2-CH2 3.46Å; N265-W418 WeakPolarHBondContact ND2-CZ3 3.39Å; N265-W418 VanDerWaalsContact OD1-CE2 3.32Å; N265-W418 WeakPolarHBondContact OD1-CH2 3.42Å; N265-W418 WeakPolarHBondContact OD1-CZ2 3.36Å; N265-W418 WeakPolarHBondContact OD1-CZ3 3.49Å; N416-W418 VanDerWaalsContact CB-CD1 3.46Å; N416-W418 HydrophobicContact CB-CG 4.37Å; N416-W418 HydrophobicContact CB-CZ2 4.31Å; N416-W418 CarbonylContact O-C 3.51Å; N416-W418 PolarHBondContact O-N 2.88Å; W418-F420 VanDerWaalsContact C-N 3.33Å; W418-A421 PolarHBondContact O-N 2.94Å; W418-H422 VanDerWaalsContact O-CB 3.23Å; W418-H422 WeakPolarHBondContact O-CB 3.44Å; W418-H422 PolarHBondContact O-N 3.01Å
419	E	41.8	Very low	48.1	Very low	53 Å²	53	84.2 Å²	84.2	25%	0.248	39%	0.387	C	S	.	.	H	α-helix	trans	-61.9	-46.4	173.9	-77	167.1	169.6	0	0	109.5	L415 N416 H422 F423	L415-E419 WeakPolarHBondContact CA-OE2 3.45Å; L415-E419 HydrophobicContact CB-CB 3.93Å; L415-E419 WeakPolarHBondContact CB-OE2 3.24Å; L415-E419 HydrophobicContact CD2-CB 4.12Å; L415-E419 HydrophobicContact CD2-CG 4.46Å; L415-E419 WeakPolarHBondContact CD2-OE2 3.36Å; L415-E419 HydrophobicContact CG-CB 4.46Å; N416-E419 PolarHBondContact N-OE2 3.36Å; N416-E419 WeakPolarHBondContact O-CB 3.39Å; N416-E419 PolarHBondContact O-N 2.99Å; E419-H422 PolarHBondContact O-N 3.17Å; E419-F423 WeakPolarHBondContact O-CB 3.32Å; E419-F423 PolarHBondContact O-N 2.95Å
420	F	44.5	Very low	49.3	Very low	45 Å²	45	79 Å²	79	20%	0.197	38%	0.378	C	S	.	.	H	α-helix	trans	-64.7	-45.8	176.6	-168.5	-100.7	0	0	0	111	I408 V412 W418 H422 F423 L424	I408-F420 HydrophobicContact CD1-CE2 4.4Å; I408-F420 HydrophobicContact CD1-CZ 4.37Å; I408-F420 HydrophobicContact CG1-CE2 4.21Å; I408-F420 HydrophobicContact CG2-CE2 3.83Å; I408-F420 HydrophobicContact CG2-CZ 3.76Å; V412-F420 HydrophobicContact CG2-CD1 4.13Å; V412-F420 HydrophobicContact CG2-CD2 3.6Å; V412-F420 HydrophobicContact CG2-CE1 4.16Å; V412-F420 HydrophobicContact CG2-CE2 3.64Å; V412-F420 HydrophobicContact CG2-CG 3.85Å; V412-F420 HydrophobicContact CG2-CZ 3.92Å; W418-F420 VanDerWaalsContact C-N 3.33Å; F420-H422 VanDerWaalsContact C-N 3.33Å; F420-H422 PolarHBondContact O-N 3.06Å; F420-F423 PolarHBondContact O-N 3.45Å; F420-L424 HydrophobicContact CE1-CD1 3.85Å; F420-L424 HydrophobicContact CE1-CD2 4.3Å; F420-L424 HydrophobicContact CZ-CD1 3.79Å; F420-L424 VanDerWaalsContact O-CB 3.25Å; F420-L424 WeakPolarHBondContact O-CB 3.3Å; F420-L424 PolarHBondContact O-N 3Å
421	A	48.3	Very low	50.6	Low	55 Å²	55	75.1 Å²	75.1	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-39.9	177.1	0	0	0	0	0	112.8	K417 W418 F425	K417-A421 WeakPolarHBondContact O-CB 3.22Å; K417-A421 PolarHBondContact O-N 3.36Å; W418-A421 PolarHBondContact O-N 2.94Å; A421-F425 VanDerWaalsContact O-CB 3.25Å; A421-F425 WeakPolarHBondContact O-CB 3.4Å; A421-F425 PolarHBondContact O-N 3.31Å
422	H	49.8	Very low	51.8	Low	34 Å²	34	72.9 Å²	72.9	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-68	-45.8	176	178	68.8	0	0	0	111.6	L261 W418 E419 F420 L424 F425 M426	L261-H422 VanDerWaalsContact CD1-CE1 3.44Å; L261-H422 WeakPolarHBondContact CD1-CE1 3.29Å; L261-H422 WeakPolarHBondContact CD1-ND1 3.37Å; W418-H422 VanDerWaalsContact O-CB 3.23Å; W418-H422 WeakPolarHBondContact O-CB 3.44Å; W418-H422 PolarHBondContact O-N 3.01Å; E419-H422 PolarHBondContact O-N 3.17Å; F420-H422 VanDerWaalsContact C-N 3.33Å; F420-H422 PolarHBondContact O-N 3.06Å; H422-L424 VanDerWaalsContact C-N 3.34Å; H422-L424 PolarHBondContact O-N 3.49Å; H422-F425 WeakPolarHBondContact O-CB 3.48Å; H422-F425 PolarHBondContact O-N 3.04Å; H422-M426 WeakPolarHBondContact O-CB 3.49Å; H422-M426 PolarHBondContact O-N 3.46Å
423	F	49	Very low	53.7	Low	90 Å²	90	71.3 Å²	71.3	40%	0.395	34%	0.336	S	S	.	.	H	α-helix	trans	-56.8	-50.3	174.1	-175.9	-94.5	0	0	0	110	E419 F420 F425 M426 F427	E419-F423 WeakPolarHBondContact O-CB 3.32Å; E419-F423 PolarHBondContact O-N 2.95Å; F420-F423 PolarHBondContact O-N 3.45Å; F423-F425 VanDerWaalsContact C-N 3.33Å; F423-F425 PolarHBondContact O-N 3.3Å; F423-M426 PolarHBondContact O-N 3.32Å; F423-M426 VanDerWaalsContact O-N 3.14Å; F423-F427 AromaticContact CD1-CD2 3.86Å; F423-F427 HydrophobicContact CD1-CD2 3.86Å; F423-F427 AromaticContact CD1-CE2 3.91Å; F423-F427 HydrophobicContact CD1-CE2 3.91Å; F423-F427 HydrophobicContact CD2-CD2 4.45Å; F423-F427 HydrophobicContact CD2-CE2 4.06Å; F423-F427 AromaticContact CE1-CD2 3.68Å; F423-F427 HydrophobicContact CE1-CD2 3.68Å; F423-F427 AromaticContact CE1-CE2 3.33Å; F423-F427 HydrophobicContact CE1-CE2 3.33Å; F423-F427 HydrophobicContact CE1-CZ 4.08Å; F423-F427 HydrophobicContact CE2-CD2 4.31Å; F423-F427 AromaticContact CE2-CE2 3.52Å; F423-F427 HydrophobicContact CE2-CE2 3.52Å; F423-F427 HydrophobicContact CE2-CZ 4.37Å; F423-F427 HydrophobicContact CG-CD2 4.26Å; F423-F427 HydrophobicContact CG-CE2 4.25Å; F423-F427 AromaticContact CZ-CD2 3.95Å; F423-F427 HydrophobicContact CZ-CD2 3.95Å; F423-F427 AromaticContact CZ-CE2 3.13Å; F423-F427 HydrophobicContact CZ-CE2 3.13Å; F423-F427 AromaticContact CZ-CZ 3.75Å; F423-F427 HydrophobicContact CZ-CZ 3.75Å; F423-F427 VanDerWaalsContact O-CD2 3.32Å; F423-F427 WeakPolarHBondContact O-CD2 3.45Å; F423-F427 PolarHBondContact O-N 3.4Å
424	L	52.2	Low	55.2	Low	37 Å²	37	70 Å²	70	19%	0.194	32%	0.324	C	S	.	.	H	α-helix	trans	-60.1	-41.3	177.1	-143.2	77.8	0	0	0	112	D349 F420 H422 F427 K428	D349-L424 WeakPolarHBondContact OD2-CD2 3.32Å; F420-L424 HydrophobicContact CE1-CD1 3.85Å; F420-L424 HydrophobicContact CE1-CD2 4.3Å; F420-L424 HydrophobicContact CZ-CD1 3.79Å; F420-L424 VanDerWaalsContact O-CB 3.25Å; F420-L424 WeakPolarHBondContact O-CB 3.3Å; F420-L424 PolarHBondContact O-N 3Å; H422-L424 VanDerWaalsContact C-N 3.34Å; H422-L424 PolarHBondContact O-N 3.49Å; L424-F427 PolarHBondContact O-N 2.94Å; L424-K428 VanDerWaalsContact CD2-NZ 3.34Å; L424-K428 WeakPolarHBondContact O-CD 3.24Å; L424-K428 VanDerWaalsContact O-CG 3.25Å; L424-K428 WeakPolarHBondContact O-CG 3.31Å; L424-K428 PolarHBondContact O-N 2.82Å
425	F	55.3	Low	56.7	Low	26 Å²	26	63.1 Å²	63.1	11%	0.114	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-45	175	-178.9	-98.6	0	0	0	111.3	H254 L323 L342 A421 H422 F423 F427 K428 I429	H254-F425 WeakPolarHBondContact O-CZ 2.87Å; L323-F425 HydrophobicContact CD1-CE1 4.47Å; L323-F425 HydrophobicContact CD1-CZ 4.24Å; L342-F425 HydrophobicContact CD2-CE2 4.49Å; A421-F425 VanDerWaalsContact O-CB 3.25Å; A421-F425 WeakPolarHBondContact O-CB 3.4Å; A421-F425 PolarHBondContact O-N 3.31Å; H422-F425 WeakPolarHBondContact O-CB 3.48Å; H422-F425 PolarHBondContact O-N 3.04Å; F423-F425 VanDerWaalsContact C-N 3.33Å; F423-F425 PolarHBondContact O-N 3.3Å; F425-F427 VanDerWaalsContact C-N 3.28Å; F425-F427 PolarHBondContact O-N 3.47Å; F425-K428 WeakPolarHBondContact O-CA 3.47Å; F425-K428 WeakPolarHBondContact O-CB 3.23Å; F425-K428 PolarHBondContact O-N 3.25Å; F425-I429 HydrophobicContact CD1-CD1 4.45Å; F425-I429 HydrophobicContact CE1-CD1 4.07Å; F425-I429 HydrophobicContact CE1-CG1 4.22Å; F425-I429 PolarHBondContact O-N 3.28Å
426	M	57.8	Low	58.9	Low	30 Å²	30	60.1 Å²	60.1	15%	0.148	29%	0.288	C	S	.	.	H	α-helix	trans	-68.9	-24.5	-179.1	-156.1	173.2	60.7	0	0	113	P258 H422 F423 K428 I429 R454	P258-M426 HydrophobicContact CB-SD 4.32Å; P258-M426 HydrophobicContact CG-SD 4.12Å; H422-M426 WeakPolarHBondContact O-CB 3.49Å; H422-M426 PolarHBondContact O-N 3.46Å; F423-M426 PolarHBondContact O-N 3.32Å; F423-M426 VanDerWaalsContact O-N 3.14Å; M426-K428 VanDerWaalsContact C-N 3.33Å; M426-I429 HydrophobicContact CG-CD1 4.48Å; M426-R454 VanDerWaalsContact CE-CZ 3.46Å; M426-R454 HydrophobicContact SD-CG 4.2Å
427	F	59.6	Low	60.7	Low	109 Å²	109	58.1 Å²	58.1	48%	0.478	28%	0.279	S	S	.	.	H	α-helix	trans	-74.9	-20.5	168.3	-91.5	-94.1	0	0	0	113.4	F423 L424 F425 P430	F423-F427 AromaticContact CD1-CD2 3.86Å; F423-F427 HydrophobicContact CD1-CD2 3.86Å; F423-F427 AromaticContact CD1-CE2 3.91Å; F423-F427 HydrophobicContact CD1-CE2 3.91Å; F423-F427 HydrophobicContact CD2-CD2 4.45Å; F423-F427 HydrophobicContact CD2-CE2 4.06Å; F423-F427 AromaticContact CE1-CD2 3.68Å; F423-F427 HydrophobicContact CE1-CD2 3.68Å; F423-F427 AromaticContact CE1-CE2 3.33Å; F423-F427 HydrophobicContact CE1-CE2 3.33Å; F423-F427 HydrophobicContact CE1-CZ 4.08Å; F423-F427 HydrophobicContact CE2-CD2 4.31Å; F423-F427 AromaticContact CE2-CE2 3.52Å; F423-F427 HydrophobicContact CE2-CE2 3.52Å; F423-F427 HydrophobicContact CE2-CZ 4.37Å; F423-F427 HydrophobicContact CG-CD2 4.26Å; F423-F427 HydrophobicContact CG-CE2 4.25Å; F423-F427 AromaticContact CZ-CD2 3.95Å; F423-F427 HydrophobicContact CZ-CD2 3.95Å; F423-F427 AromaticContact CZ-CE2 3.13Å; F423-F427 HydrophobicContact CZ-CE2 3.13Å; F423-F427 AromaticContact CZ-CZ 3.75Å; F423-F427 HydrophobicContact CZ-CZ 3.75Å; F423-F427 VanDerWaalsContact O-CD2 3.32Å; F423-F427 WeakPolarHBondContact O-CD2 3.45Å; F423-F427 PolarHBondContact O-N 3.4Å; L424-F427 PolarHBondContact O-N 2.94Å; F425-F427 VanDerWaalsContact C-N 3.28Å; F425-F427 PolarHBondContact O-N 3.47Å; F427-P430 WeakPolarHBondContact O-CD 3.49Å
428	K	63.8	Low	62.4	Low	37 Å²	37	54.6 Å²	54.6	16%	0.161	28%	0.276	C	S	.	.	H	α-helix	trans	-92.3	-13.1	-177.8	-69.5	171.7	-176.6	174.4	0	113.2	I345 D349 L424 F425 M426 E431 A432	I345-K428 HydrophobicContact CB-CD 3.93Å; I345-K428 HydrophobicContact CD1-CB 4.41Å; I345-K428 HydrophobicContact CG1-CB 4.48Å; I345-K428 HydrophobicContact CG1-CD 3.92Å; I345-K428 HydrophobicContact CG2-CD 3.26Å; I345-K428 PolarHBondContact O-NZ 3.09Å; D349-K428 IonicContact OD2-NZ 3.15Å; D349-K428 PolarHBondContact OD2-NZ 3.37Å; L424-K428 VanDerWaalsContact CD2-NZ 3.34Å; L424-K428 WeakPolarHBondContact O-CD 3.24Å; L424-K428 VanDerWaalsContact O-CG 3.25Å; L424-K428 WeakPolarHBondContact O-CG 3.31Å; L424-K428 PolarHBondContact O-N 2.82Å; F425-K428 WeakPolarHBondContact O-CA 3.47Å; F425-K428 WeakPolarHBondContact O-CB 3.23Å; F425-K428 PolarHBondContact O-N 3.25Å; M426-K428 VanDerWaalsContact C-N 3.33Å; K428-E431 WeakPolarHBondContact O-CB 3.43Å; K428-E431 PolarHBondContact O-N 3.45Å; K428-A432 WeakPolarHBondContact O-CB 3.31Å; K428-A432 PolarHBondContact O-N 2.94Å
429	I	70.3	Confident	64.3	Low	15 Å²	15	57.9 Å²	57.9	8%	0.077	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-47.5	175.2	-61	177.6	0	0	0	112.5	F319 L323 F425 M426 E431 A432 F433 L452	F319-I429 HydrophobicContact CE1-CD1 4.36Å; F319-I429 HydrophobicContact CE2-CD1 4.37Å; F319-I429 HydrophobicContact CZ-CD1 3.54Å; L323-I429 HydrophobicContact CD2-CG1 4.4Å; L323-I429 HydrophobicContact CD2-CG2 4.44Å; F425-I429 HydrophobicContact CD1-CD1 4.45Å; F425-I429 HydrophobicContact CE1-CD1 4.07Å; F425-I429 HydrophobicContact CE1-CG1 4.22Å; F425-I429 PolarHBondContact O-N 3.28Å; M426-I429 HydrophobicContact CG-CD1 4.48Å; I429-E431 PolarHBondContact O-N 2.92Å; I429-A432 WeakPolarHBondContact O-CB 3.48Å; I429-A432 PolarHBondContact O-N 2.87Å; I429-F433 PolarHBondContact O-N 3.01Å; I429-L452 HydrophobicContact CG2-CB 4.1Å; I429-L452 HydrophobicContact CG2-CD1 4.07Å; I429-L452 HydrophobicContact CG2-CD2 4.24Å; I429-L452 HydrophobicContact CG2-CG 4.37Å
430	P	68.4	Low	66.3	Low	80 Å²	80	56 Å²	56	52%	0.519	28%	0.28	S	S	.	.	H	α-helix	trans	-57	-37.5	174.6	-25.8	35.4	0	0	0	112.6	F427 R434	F427-P430 WeakPolarHBondContact O-CD 3.49Å; P430-R434 VanDerWaalsContact O-CB 3.25Å; P430-R434 WeakPolarHBondContact O-CB 3.27Å; P430-R434 PolarHBondContact O-N 3.28Å
431	E	68.7	Low	68.5	Low	63 Å²	63	55.5 Å²	55.5	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-70.8	-40.4	177.8	-175.5	62.8	-171.5	0	0	112.1	K428 I429 R434 L435	K428-E431 WeakPolarHBondContact O-CB 3.43Å; K428-E431 PolarHBondContact O-N 3.45Å; I429-E431 PolarHBondContact O-N 2.92Å; E431-R434 WeakPolarHBondContact O-CB 3.38Å; E431-R434 PolarHBondContact O-N 3.28Å; E431-R434 IonicContact OE1-CZ 2.78Å; E431-R434 IonicContact OE1-NE 2.61Å; E431-R434 PolarHBondContact OE1-NE 2.75Å; E431-R434 IonicContact OE1-NH2 3.44Å; E431-R434 PolarHBondContact OE1-NH2 3.09Å; E431-R434 IonicContact OE2-CZ 3.16Å; E431-R434 IonicContact OE2-NE 3.53Å; E431-R434 PolarHBondContact OE2-NE 2.98Å; E431-R434 IonicContact OE2-NH2 3.75Å; E431-L435 HydrophobicContact CG-CD1 4.44Å; E431-L435 VanDerWaalsContact O-CG 3.31Å; E431-L435 WeakPolarHBondContact O-CG 3.46Å; E431-L435 PolarHBondContact O-N 2.94Å
432	A	67.7	Low	70.4	Confident	4 Å²	4	60 Å²	60	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-49.2	173.4	0	0	0	0	0	111.8	W341 K428 I429 L435 S436	W341-A432 HydrophobicContact CH2-CB 4.48Å; W341-A432 HydrophobicContact CZ2-CB 3.57Å; K428-A432 WeakPolarHBondContact O-CB 3.31Å; K428-A432 PolarHBondContact O-N 2.94Å; I429-A432 WeakPolarHBondContact O-CB 3.48Å; I429-A432 PolarHBondContact O-N 2.87Å; A432-L435 PolarHBondContact O-N 3.25Å; A432-S436 WeakPolarHBondContact O-CB 3.35Å; A432-S436 PolarHBondContact O-N 2.91Å; A432-S436 VanDerWaalsContact O-N 3.08Å; A432-S436 PolarHBondContact O-OG 3.07Å
433	F	79.4	Confident	72.4	Confident	30 Å²	30	63.6 Å²	63.6	13%	0.132	31%	0.314	C	S	.	.	H	α-helix	trans	-58.6	-52.1	175	-179.1	-109.7	0	0	0	109.8	I429 L435 S436 V437 V445 V448 E449 L452	I429-F433 PolarHBondContact O-N 3.01Å; F433-L435 VanDerWaalsContact C-N 3.29Å; F433-L435 PolarHBondContact O-N 3.48Å; F433-S436 WeakPolarHBondContact O-CA 3.36Å; F433-S436 PolarHBondContact O-N 3.37Å; F433-S436 PolarHBondContact O-OG 3.38Å; F433-V437 HydrophobicContact CD1-CG2 3.67Å; F433-V437 HydrophobicContact CD2-CG2 3.83Å; F433-V437 HydrophobicContact CE1-CG2 3.39Å; F433-V437 HydrophobicContact CE2-CG2 3.55Å; F433-V437 HydrophobicContact CG-CG2 3.88Å; F433-V437 HydrophobicContact CZ-CG2 3.32Å; F433-V437 WeakPolarHBondContact O-CG2 3.37Å; F433-V437 PolarHBondContact O-N 3.46Å; F433-V445 HydrophobicContact CZ-CG1 3.96Å; F433-V445 WeakPolarHBondContact CZ-O 3.24Å; F433-V448 HydrophobicContact CD2-CG1 4.13Å; F433-V448 HydrophobicContact CE2-CB 4.22Å; F433-V448 HydrophobicContact CE2-CG1 4.02Å; F433-E449 HydrophobicContact CE1-CB 4.06Å; F433-E449 HydrophobicContact CE1-CG 4.03Å; F433-E449 HydrophobicContact CE2-CB 4.07Å; F433-E449 HydrophobicContact CZ-CB 3.57Å; F433-E449 HydrophobicContact CZ-CG 4.07Å; F433-L452 HydrophobicContact CB-CD1 4.1Å; F433-L452 HydrophobicContact CD2-CD1 3.99Å; F433-L452 HydrophobicContact CG-CD1 4.36Å
434	R	75.5	Confident	74.5	Confident	134 Å²	134	59.3 Å²	59.3	51%	0.506	30%	0.295	S	S	.	.	H	α-helix	trans	-52.6	-41.9	178.5	-166.6	-168.2	70.5	72.1	0.3	113.4	P430 E431	P430-R434 VanDerWaalsContact O-CB 3.25Å; P430-R434 WeakPolarHBondContact O-CB 3.27Å; P430-R434 PolarHBondContact O-N 3.28Å; E431-R434 WeakPolarHBondContact O-CB 3.38Å; E431-R434 PolarHBondContact O-N 3.28Å; E431-R434 IonicContact OE1-CZ 2.78Å; E431-R434 IonicContact OE1-NE 2.61Å; E431-R434 PolarHBondContact OE1-NE 2.75Å; E431-R434 IonicContact OE1-NH2 3.44Å; E431-R434 PolarHBondContact OE1-NH2 3.09Å; E431-R434 IonicContact OE2-CZ 3.16Å; E431-R434 IonicContact OE2-NE 3.53Å; E431-R434 PolarHBondContact OE2-NE 2.98Å; E431-R434 IonicContact OE2-NH2 3.75Å
435	L	74.4	Confident	76.3	Confident	75 Å²	75	59 Å²	59	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-71.5	-31.4	177.4	-68.9	173.6	0	0	0	113.1	T330 E431 A432 F433	T330-L435 HydrophobicContact CG2-CB 4.12Å; E431-L435 HydrophobicContact CG-CD1 4.44Å; E431-L435 VanDerWaalsContact O-CG 3.31Å; E431-L435 WeakPolarHBondContact O-CG 3.46Å; E431-L435 PolarHBondContact O-N 2.94Å; A432-L435 PolarHBondContact O-N 3.25Å; F433-L435 VanDerWaalsContact C-N 3.29Å; F433-L435 PolarHBondContact O-N 3.48Å
436	S	79.3	Confident	78.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-80.9	-33.4	179.8	73.9	0	0	0	0	113.4	C326 A432 F433 C438 R439 M440	C326-S436 PolarHBondContact SG-OG 3.03Å; A432-S436 WeakPolarHBondContact O-CB 3.35Å; A432-S436 PolarHBondContact O-N 2.91Å; A432-S436 VanDerWaalsContact O-N 3.08Å; A432-S436 PolarHBondContact O-OG 3.07Å; F433-S436 WeakPolarHBondContact O-CA 3.36Å; F433-S436 PolarHBondContact O-N 3.37Å; F433-S436 PolarHBondContact O-OG 3.38Å; S436-C438 VanDerWaalsContact C-N 3.3Å; S436-C438 PolarHBondContact O-N 3.08Å; S436-R439 PolarHBondContact O-N 3.36Å; S436-M440 PolarHBondContact O-N 3.12Å
437	V	82.5	Confident	79.8	Confident	42 Å²	42	62.5 Å²	62.5	26%	0.255	31%	0.312	S	S	.	.	H	α-helix	trans	-57.9	-39.9	-171.9	164.2	0	0	0	0	112.2	F433 R439 M440 V445	F433-V437 HydrophobicContact CD1-CG2 3.67Å; F433-V437 HydrophobicContact CD2-CG2 3.83Å; F433-V437 HydrophobicContact CE1-CG2 3.39Å; F433-V437 HydrophobicContact CE2-CG2 3.55Å; F433-V437 HydrophobicContact CG-CG2 3.88Å; F433-V437 HydrophobicContact CZ-CG2 3.32Å; F433-V437 WeakPolarHBondContact O-CG2 3.37Å; F433-V437 PolarHBondContact O-N 3.46Å; V437-R439 PolarHBondContact O-N 3.33Å; V437-M440 PolarHBondContact O-N 3.41Å; V437-M440 VanDerWaalsContact O-N 3.16Å; V437-V445 HydrophobicContact CG1-CG1 4.16Å; V437-V445 HydrophobicContact CG1-CG2 4.34Å; V437-V445 HydrophobicContact CG2-CG1 4.31Å
438	C	80	Confident	81.4	Confident	115 Å²	115	57.3 Å²	57.3	78%	0.777	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.8	-179.4	-59.7	0	0	0	0	114.4	S436	S436-C438 VanDerWaalsContact C-N 3.3Å; S436-C438 PolarHBondContact O-N 3.08Å
439	R	82.5	Confident	82.7	Confident	142 Å²	142	61 Å²	61	54%	0.536	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-5.1	179.8	-66.2	176.8	178.6	167.6	2.2	112.9	Y329 T330 S436 V437	Y329-R439 VanDerWaalsContact CD1-O 3.29Å; Y329-R439 WeakPolarHBondContact CD1-O 3.46Å; Y329-R439 WeakPolarHBondContact O-CD 3.49Å; T330-R439 PolarHBondContact O-NH1 3.09Å; S436-R439 PolarHBondContact O-N 3.36Å; V437-R439 PolarHBondContact O-N 3.33Å
440	M	84.4	Confident	83.8	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.059	32%	0.323	C	S	.	.	S	Bend	trans	-85.5	140.7	-177.5	-168.8	179	-59.2	0	0	109.8	I325 Y329 S436 V437 L444 V445 V448	I325-M440 HydrophobicContact CG2-CE 3.85Å; I325-M440 HydrophobicContact CG2-SD 4.36Å; Y329-M440 HydrophobicContact CD2-CB 4.43Å; Y329-M440 HydrophobicContact CD2-CE 4.16Å; Y329-M440 HydrophobicContact CD2-CG 4.09Å; Y329-M440 HydrophobicContact CE2-CG 4.15Å; Y329-M440 HydrophobicContact CG-CB 4.35Å; Y329-M440 HydrophobicContact CG-CG 4.48Å; S436-M440 PolarHBondContact O-N 3.12Å; V437-M440 PolarHBondContact O-N 3.41Å; V437-M440 VanDerWaalsContact O-N 3.16Å; M440-L444 HydrophobicContact CG-CB 3.71Å; M440-L444 HydrophobicContact CG-CD1 4.3Å; M440-L444 HydrophobicContact SD-CB 3.61Å; M440-V445 HydrophobicContact CB-CG2 4.41Å; M440-V445 HydrophobicContact SD-CG2 4.48Å; M440-V448 HydrophobicContact CE-CB 4.35Å; M440-V448 HydrophobicContact CE-CG1 4.09Å; M440-V448 HydrophobicContact CE-CG2 4.32Å; M440-V448 HydrophobicContact SD-CB 4.05Å; M440-V448 HydrophobicContact SD-CG1 4.44Å; M440-V448 HydrophobicContact SD-CG2 3.84Å
441	P	89.5	Confident	85	Confident	35 Å²	35	61 Å²	61	23%	0.227	30%	0.299	C	S	.	.			trans	-53.7	139	168.4	-26.1	34.7	0	0	0	111.4	Y329 E443 L444 V445 F470	Y329-P441 HydrophobicContact CE1-CG 4.37Å; Y329-P441 VanDerWaalsContact CZ-CD 3.5Å; Y329-P441 WeakPolarHBondContact OH-CD 3.32Å; P441-E443 WeakPolarHBondContact CB-OE2 3.32Å; P441-E443 PolarHBondContact O-N 3.11Å; P441-E443 VanDerWaalsContact O-N 3.16Å; P441-L444 HydrophobicContact CG-CD1 4.46Å; P441-L444 PolarHBondContact O-N 3.49Å; P441-V445 PolarHBondContact O-N 3.26Å; P441-F470 HydrophobicContact CB-CD2 4.07Å; P441-F470 HydrophobicContact CB-CE2 3.74Å; P441-F470 HydrophobicContact CG-CD2 4.42Å; P441-F470 HydrophobicContact CG-CE2 3.6Å; P441-F470 HydrophobicContact CG-CZ 4.24Å
442	L	88.1	Confident	86	Confident	150 Å²	150	58.8 Å²	58.8	79%	0.785	29%	0.289	S	S	*	.	H	α-helix	trans	-58	-33.5	-174.9	-66.2	176	0	0	0	112.1	L444 V445	L442-L444 PolarHBondContact O-N 3.39Å; L442-V445 PolarHBondContact O-N 3.46Å
443	E	91.3	Very high	86.9	Confident	109 Å²	109	59.9 Å²	59.9	51%	0.509	30%	0.296	S	S	.	.	H	α-helix	trans	-66.4	-19.5	179.5	-56	81.2	-179	0	0	113.3	P441 P447 F470	P441-E443 WeakPolarHBondContact CB-OE2 3.32Å; P441-E443 PolarHBondContact O-N 3.11Å; P441-E443 VanDerWaalsContact O-N 3.16Å; E443-P447 WeakPolarHBondContact O-CD 3.47Å; E443-P447 WeakPolarHBondContact O-CG 3.24Å; E443-F470 HydrophobicContact CB-CB 3.95Å; E443-F470 HydrophobicContact CB-CD2 4.41Å
444	L	92.9	Very high	87	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-97	-20.2	178.1	-75.6	-178.4	0	0	0	113.5	I179 Y329 M440 P441 L442 P447 V448 F465 L468 F470	I179-L444 HydrophobicContact CD1-CD1 4.46Å; Y329-L444 HydrophobicContact CE2-CD1 4.1Å; M440-L444 HydrophobicContact CG-CB 3.71Å; M440-L444 HydrophobicContact CG-CD1 4.3Å; M440-L444 HydrophobicContact SD-CB 3.61Å; P441-L444 HydrophobicContact CG-CD1 4.46Å; P441-L444 PolarHBondContact O-N 3.49Å; L442-L444 PolarHBondContact O-N 3.39Å; L444-P447 WeakPolarHBondContact O-CD 3.49Å; L444-V448 HydrophobicContact CB-CG2 4.3Å; L444-V448 VanDerWaalsContact O-CB 3.29Å; L444-V448 WeakPolarHBondContact O-CB 3.1Å; L444-V448 WeakPolarHBondContact O-CG2 3.21Å; L444-V448 PolarHBondContact O-N 2.73Å; L444-F465 HydrophobicContact CD2-CZ 4.12Å; L444-L468 HydrophobicContact CD2-CD1 4.12Å; L444-F470 HydrophobicContact CD1-CD1 3.94Å; L444-F470 HydrophobicContact CD1-CD2 4.31Å; L444-F470 HydrophobicContact CD1-CE1 3.57Å; L444-F470 HydrophobicContact CD1-CE2 4Å; L444-F470 HydrophobicContact CD1-CG 4.29Å; L444-F470 HydrophobicContact CD1-CZ 3.6Å; L444-F470 HydrophobicContact CD2-CB 4.3Å; L444-F470 HydrophobicContact CD2-CD1 3.61Å; L444-F470 HydrophobicContact CD2-CE1 4.07Å; L444-F470 HydrophobicContact CD2-CG 3.91Å; L444-F470 HydrophobicContact CG-CB 4.47Å; L444-F470 HydrophobicContact CG-CD1 3.79Å; L444-F470 HydrophobicContact CG-CD2 4Å; L444-F470 HydrophobicContact CG-CE1 3.97Å; L444-F470 HydrophobicContact CG-CE2 4.2Å; L444-F470 HydrophobicContact CG-CG 3.8Å; L444-F470 HydrophobicContact CG-CZ 4.17Å
445	V	91	Very high	87.4	Confident	30 Å²	30	61.4 Å²	61.4	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-57.4	-171.7	175.4	0	0	0	0	111.7	F433 V437 M440 P441 L442 V448 E449	F433-V445 HydrophobicContact CZ-CG1 3.96Å; F433-V445 WeakPolarHBondContact CZ-O 3.24Å; V437-V445 HydrophobicContact CG1-CG1 4.16Å; V437-V445 HydrophobicContact CG1-CG2 4.34Å; V437-V445 HydrophobicContact CG2-CG1 4.31Å; M440-V445 HydrophobicContact CB-CG2 4.41Å; M440-V445 HydrophobicContact SD-CG2 4.48Å; P441-V445 PolarHBondContact O-N 3.26Å; L442-V445 PolarHBondContact O-N 3.46Å; V445-V448 PolarHBondContact O-N 3.14Å; V445-E449 WeakPolarHBondContact O-CB 3.4Å; V445-E449 PolarHBondContact O-N 3.37Å
446	E	92.5	Very high	88	Confident	113 Å²	113	58.6 Å²	58.6	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-46.5	-179.7	176.9	-167	176.7	0	0	112.3	V448 E449 K450	E446-V448 PolarHBondContact O-N 2.86Å; E446-E449 WeakPolarHBondContact O-CB 3.42Å; E446-E449 PolarHBondContact O-N 2.92Å; E446-K450 HydrophobicContact CG-CD 4.49Å; E446-K450 WeakPolarHBondContact O-CG 3.48Å; E446-K450 PolarHBondContact O-N 2.94Å; E446-K450 VanDerWaalsContact OE1-CE 3.24Å; E446-K450 WeakPolarHBondContact OE1-CE 3.46Å; E446-K450 IonicContact OE1-NZ 3.44Å; E446-K450 PolarHBondContact OE1-NZ 2.95Å
447	P	94.4	Very high	88.2	Confident	17 Å²	17	64.7 Å²	64.7	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-58	-41.8	175	-28.5	35.8	0	0	0	114.2	E443 L444 K450 L451 F465 L468	E443-P447 WeakPolarHBondContact O-CD 3.47Å; E443-P447 WeakPolarHBondContact O-CG 3.24Å; L444-P447 WeakPolarHBondContact O-CD 3.49Å; P447-K450 PolarHBondContact O-N 3Å; P447-L451 WeakPolarHBondContact O-CG 3.46Å; P447-L451 PolarHBondContact O-N 3.13Å; P447-F465 HydrophobicContact CB-CD2 4.17Å; P447-F465 HydrophobicContact CB-CE2 3.7Å; P447-L468 HydrophobicContact CB-CD1 3.76Å; P447-L468 HydrophobicContact CB-CD2 4.16Å; P447-L468 HydrophobicContact CG-CD1 3.84Å; P447-L468 HydrophobicContact CG-CD2 3.52Å; P447-L468 HydrophobicContact CG-CG 4.36Å
448	V	92.9	Very high	88.6	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-70.7	-37.5	179.6	174.8	0	0	0	0	111.3	I325 F433 M440 L444 V445 E446 K450 L451 L452	I325-V448 HydrophobicContact CB-CG2 4.34Å; I325-V448 HydrophobicContact CD1-CG2 3.97Å; I325-V448 HydrophobicContact CG2-CG2 3.78Å; F433-V448 HydrophobicContact CD2-CG1 4.13Å; F433-V448 HydrophobicContact CE2-CB 4.22Å; F433-V448 HydrophobicContact CE2-CG1 4.02Å; M440-V448 HydrophobicContact CE-CB 4.35Å; M440-V448 HydrophobicContact CE-CG1 4.09Å; M440-V448 HydrophobicContact CE-CG2 4.32Å; M440-V448 HydrophobicContact SD-CB 4.05Å; M440-V448 HydrophobicContact SD-CG1 4.44Å; M440-V448 HydrophobicContact SD-CG2 3.84Å; L444-V448 HydrophobicContact CB-CG2 4.3Å; L444-V448 VanDerWaalsContact O-CB 3.29Å; L444-V448 WeakPolarHBondContact O-CB 3.1Å; L444-V448 WeakPolarHBondContact O-CG2 3.21Å; L444-V448 PolarHBondContact O-N 2.73Å; V445-V448 PolarHBondContact O-N 3.14Å; E446-V448 PolarHBondContact O-N 2.86Å; V448-K450 VanDerWaalsContact C-N 3.26Å; V448-K450 PolarHBondContact O-N 2.99Å; V448-L451 HydrophobicContact CG2-CD1 4.49Å; V448-L451 WeakPolarHBondContact O-CB 3.39Å; V448-L451 PolarHBondContact O-N 2.83Å; V448-L452 HydrophobicContact CG1-CD1 4.2Å; V448-L452 WeakPolarHBondContact O-CG 3.37Å; V448-L452 PolarHBondContact O-N 3.11Å
449	E	90.9	Very high	89.3	Confident	115 Å²	115	64 Å²	64	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-56.4	-44.4	171.1	-168.1	-179.9	176.3	0	0	111.2	F433 V445 E446 L452 S453	F433-E449 HydrophobicContact CE1-CB 4.06Å; F433-E449 HydrophobicContact CE1-CG 4.03Å; F433-E449 HydrophobicContact CE2-CB 4.07Å; F433-E449 HydrophobicContact CZ-CB 3.57Å; F433-E449 HydrophobicContact CZ-CG 4.07Å; V445-E449 WeakPolarHBondContact O-CB 3.4Å; V445-E449 PolarHBondContact O-N 3.37Å; E446-E449 WeakPolarHBondContact O-CB 3.42Å; E446-E449 PolarHBondContact O-N 2.92Å; E449-L452 PolarHBondContact O-N 2.87Å; E449-S453 PolarHBondContact O-N 3.45Å
450	K	93.1	Very high	89.8	Confident	94 Å²	94	58 Å²	58	41%	0.409	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-40.2	175.9	-69.7	176.9	-174.1	169.9	0	112.5	E446 P447 V448 L452 S453 R459	E446-K450 HydrophobicContact CG-CD 4.49Å; E446-K450 WeakPolarHBondContact O-CG 3.48Å; E446-K450 PolarHBondContact O-N 2.94Å; E446-K450 VanDerWaalsContact OE1-CE 3.24Å; E446-K450 WeakPolarHBondContact OE1-CE 3.46Å; E446-K450 IonicContact OE1-NZ 3.44Å; E446-K450 PolarHBondContact OE1-NZ 2.95Å; P447-K450 PolarHBondContact O-N 3Å; V448-K450 VanDerWaalsContact C-N 3.26Å; V448-K450 PolarHBondContact O-N 2.99Å; K450-L452 PolarHBondContact O-N 3.11Å; K450-S453 WeakPolarHBondContact O-CB 3.49Å; K450-S453 PolarHBondContact O-N 3.3Å; K450-S453 VanDerWaalsContact O-N 3.1Å; K450-R459 WeakPolarHBondContact O-CG 3.36Å
451	L	93.2	Very high	90.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.7	-37.7	174.9	-73.2	176.2	0	0	0	111.9	M318 F319 I325 P447 V448 S453 R459 P460 F465	M318-L451 HydrophobicContact CB-CD2 3.73Å; M318-L451 HydrophobicContact CE-CD2 3.7Å; M318-L451 WeakPolarHBondContact O-CD2 3.44Å; F319-L451 WeakPolarHBondContact CA-O 3.43Å; F319-L451 WeakPolarHBondContact CD2-O 3.41Å; I325-L451 HydrophobicContact CD1-CD1 4.25Å; P447-L451 WeakPolarHBondContact O-CG 3.46Å; P447-L451 PolarHBondContact O-N 3.13Å; V448-L451 HydrophobicContact CG2-CD1 4.49Å; V448-L451 WeakPolarHBondContact O-CB 3.39Å; V448-L451 PolarHBondContact O-N 2.83Å; L451-S453 PolarHBondContact O-N 3.28Å; L451-R459 VanDerWaalsContact O-CD 3.26Å; L451-R459 WeakPolarHBondContact O-CD 3.3Å; L451-R459 WeakPolarHBondContact O-CG 3.49Å; L451-P460 HydrophobicContact CD2-CG 3.64Å; L451-P460 HydrophobicContact CG-CG 4.06Å; L451-F465 HydrophobicContact CD1-CD2 4Å; L451-F465 HydrophobicContact CD1-CE2 3.46Å; L451-F465 VanDerWaalsContact CD1-CE2 3.46Å; L451-F465 HydrophobicContact CD1-CZ 3.77Å; L451-F465 HydrophobicContact CD2-CD2 4.39Å; L451-F465 HydrophobicContact CG-CD2 4.33Å; L451-F465 HydrophobicContact CG-CE2 4.13Å
452	L	89.6	Confident	90.6	Very high	17 Å²	17	58.3 Å²	58.3	9%	0.089	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	8.4	179.9	-62.8	176.3	0	0	0	113.6	F319 L323 I429 F433 V448 E449 K450	F319-L452 HydrophobicContact CE2-CD2 4.47Å; L323-L452 HydrophobicContact CD2-CD2 3.59Å; L323-L452 HydrophobicContact CG-CD2 3.75Å; I429-L452 HydrophobicContact CG2-CB 4.1Å; I429-L452 HydrophobicContact CG2-CD1 4.07Å; I429-L452 HydrophobicContact CG2-CD2 4.24Å; I429-L452 HydrophobicContact CG2-CG 4.37Å; F433-L452 HydrophobicContact CB-CD1 4.1Å; F433-L452 HydrophobicContact CD2-CD1 3.99Å; F433-L452 HydrophobicContact CG-CD1 4.36Å; V448-L452 HydrophobicContact CG1-CD1 4.2Å; V448-L452 WeakPolarHBondContact O-CG 3.37Å; V448-L452 PolarHBondContact O-N 3.11Å; E449-L452 PolarHBondContact O-N 2.87Å; K450-L452 PolarHBondContact O-N 3.11Å
453	S	87.1	Confident	90.8	Very high	27 Å²	27	56.1 Å²	56.1	19%	0.189	27%	0.27	C	S	.	.			trans	-64.6	138.2	177.2	-163	0	0	0	0	111.6	E449 K450 L451 N455 R459	E449-S453 PolarHBondContact O-N 3.45Å; K450-S453 WeakPolarHBondContact O-CB 3.49Å; K450-S453 PolarHBondContact O-N 3.3Å; K450-S453 VanDerWaalsContact O-N 3.1Å; L451-S453 PolarHBondContact O-N 3.28Å; S453-N455 PolarHBondContact O-N 3.4Å; S453-R459 PolarHBondContact O-NE 2.78Å; S453-R459 PolarHBondContact O-NH2 3.5Å
454	R	82	Confident	91	Very high	137 Å²	137	55.8 Å²	55.8	52%	0.517	27%	0.271	S	S	.	.	S	Bend	trans	-63.1	-32	173.5	-66.1	-177.2	-176.2	175.5	-0.3	112.4	M426 P456 R459	M426-R454 VanDerWaalsContact CE-CZ 3.46Å; M426-R454 HydrophobicContact SD-CG 4.2Å; R454-P456 WeakPolarHBondContact O-CD 3.47Å; R454-R459 PolarHBondContact O-NH2 3.02Å
455	N	83.9	Confident	91.1	Very high	60 Å²	60	55.9 Å²	55.9	32%	0.321	27%	0.272	S	S	.	.	S	Bend	trans	-85	117.4	176.6	-178.1	-7.2	0	0	0	109.7	S453 Q457 K458	S453-N455 PolarHBondContact O-N 3.4Å; N455-Q457 PolarHBondContact O-N 3.44Å; N455-Q457 WeakPolarHBondContact OD1-CB 3.02Å; N455-Q457 PolarHBondContact OD1-N 3.47Å; N455-K458 HydrophobicContact CB-CD 4.38Å; N455-K458 HydrophobicContact CB-CG 4.25Å; N455-K458 PolarHBondContact O-N 2.87Å; N455-K458 VanDerWaalsContact O-N 3.11Å
456	P	86.8	Confident	91.2	Very high	16 Å²	16	55 Å²	55	10%	0.104	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54.5	-35.7	178.6	-26.6	35.9	0	0	0	113.8	W315 R454 K458 R459	W315-P456 HydrophobicContact CB-CB 3.9Å; W315-P456 VanDerWaalsContact CD1-O 3.28Å; W315-P456 HydrophobicContact CG-CB 4.23Å; R454-P456 WeakPolarHBondContact O-CD 3.47Å; P456-K458 PolarHBondContact O-N 2.69Å; P456-R459 WeakPolarHBondContact O-CB 3.12Å; P456-R459 PolarHBondContact O-N 2.8Å
457	Q	84.7	Confident	91.2	Very high	128 Å²	128	55.5 Å²	55.5	60%	0.598	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-67.4	-18.9	-177.8	-63.9	-177.6	-25.6	0	0	114	N309 N455	N309-Q457 PolarHBondContact ND2-NE2 2.98Å; N309-Q457 PolarHBondContact OD1-NE2 2.93Å; N455-Q457 PolarHBondContact O-N 3.44Å; N455-Q457 WeakPolarHBondContact OD1-CB 3.02Å; N455-Q457 PolarHBondContact OD1-N 3.47Å
458	K	90.2	Very high	91.1	Very high	137 Å²	137	56.3 Å²	56.3	60%	0.596	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-84	-15	175.5	-69.9	-172.7	175.4	-173.2	0	112.6	N455 P456	N455-K458 HydrophobicContact CB-CD 4.38Å; N455-K458 HydrophobicContact CB-CG 4.25Å; N455-K458 PolarHBondContact O-N 2.87Å; N455-K458 VanDerWaalsContact O-N 3.11Å; P456-K458 PolarHBondContact O-N 2.69Å
459	R	93.7	Very high	91	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.019	31%	0.313	C	S	.	.	S	Bend	trans	-80	132.8	-177.9	-52.6	179.5	-164.6	148.8	7.9	108.8	E259 W315 K450 L451 S453 R454 P456	E259-R459 IonicContact OE1-CZ 3.61Å; E259-R459 IonicContact OE1-NH1 3.46Å; E259-R459 PolarHBondContact OE1-NH1 2.87Å; E259-R459 IonicContact OE1-NH2 3.63Å; E259-R459 IonicContact OE2-CZ 3.61Å; E259-R459 IonicContact OE2-NH1 3.49Å; E259-R459 PolarHBondContact OE2-NH1 3.11Å; E259-R459 IonicContact OE2-NH2 2.85Å; E259-R459 PolarHBondContact OE2-NH2 3.49Å; W315-R459 WeakPolarHBondContact O-CD 3.46Å; W315-R459 PolarHBondContact O-NH1 3.33Å; K450-R459 WeakPolarHBondContact O-CG 3.36Å; L451-R459 VanDerWaalsContact O-CD 3.26Å; L451-R459 WeakPolarHBondContact O-CD 3.3Å; L451-R459 WeakPolarHBondContact O-CG 3.49Å; S453-R459 PolarHBondContact O-NE 2.78Å; S453-R459 PolarHBondContact O-NH2 3.5Å; R454-R459 PolarHBondContact O-NH2 3.02Å; P456-R459 WeakPolarHBondContact O-CB 3.12Å; P456-R459 PolarHBondContact O-N 2.8Å
460	P	94.3	Very high	91	Very high	17 Å²	17	59.8 Å²	59.8	11%	0.11	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-62.5	147.5	174.2	27	-34.1	0	0	0	110.5	L451 L464 F465	L451-P460 HydrophobicContact CD2-CG 3.64Å; L451-P460 HydrophobicContact CG-CG 4.06Å; P460-L464 HydrophobicContact CB-CB 4.36Å; P460-L464 HydrophobicContact CB-CD2 4.05Å; P460-L464 HydrophobicContact CB-CG 4.33Å; P460-F465 HydrophobicContact CG-CD2 4.03Å
461	S	94.9	Very high	90.9	Very high	51 Å²	51	55.4 Å²	55.4	36%	0.357	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-68.1	159.9	169.2	62.9	0	0	0	0	110.5	Q463 L464 F465	S461-Q463 PolarHBondContact O-N 3.29Å; S461-L464 PolarHBondContact O-N 3.28Å; S461-L464 VanDerWaalsContact O-N 3.14Å; S461-L464 WeakPolarHBondContact OG-CB 3.5Å; S461-L464 PolarHBondContact OG-N 2.9Å; S461-L464 VanDerWaalsContact OG-N 3.14Å; S461-F465 WeakPolarHBondContact O-CB 3.27Å; S461-F465 PolarHBondContact O-N 3.5Å
462	S	94.5	Very high	90.6	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-54.9	-39.5	172.7	46	0	0	0	0	112	R187 H190 F465 A466	R187-S462 WeakPolarHBondContact CA-OG 3.45Å; H190-S462 PolarHBondContact ND1-OG 2.85Å; S462-F465 PolarHBondContact O-N 3.3Å; S462-A466 WeakPolarHBondContact O-CB 3.5Å; S462-A466 PolarHBondContact O-N 3.31Å
463	Q	93.6	Very high	90.3	Very high	105 Å²	105	61 Å²	61	49%	0.491	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-45.5	174.7	-173	176.2	4.3	0	0	112.8	R187 S461 F465 A466 L467	R187-Q463 HydrophobicContact CG-CB 4.4Å; S461-Q463 PolarHBondContact O-N 3.29Å; Q463-F465 VanDerWaalsContact C-N 3.35Å; Q463-A466 PolarHBondContact O-N 3.22Å; Q463-L467 WeakPolarHBondContact O-CG 3.42Å
464	L	94	Very high	90.2	Very high	102 Å²	102	62.3 Å²	62.3	53%	0.534	31%	0.309	S	S	.	.	H	α-helix	trans	-68.8	-36.4	178.2	-177.1	61.7	0	0	0	111.5	P460 S461 L467	P460-L464 HydrophobicContact CB-CB 4.36Å; P460-L464 HydrophobicContact CB-CD2 4.05Å; P460-L464 HydrophobicContact CB-CG 4.33Å; S461-L464 PolarHBondContact O-N 3.28Å; S461-L464 VanDerWaalsContact O-N 3.14Å; S461-L464 WeakPolarHBondContact OG-CB 3.5Å; S461-L464 PolarHBondContact OG-N 2.9Å; S461-L464 VanDerWaalsContact OG-N 3.14Å; L464-L467 PolarHBondContact O-N 3.48Å
465	F	96	Very high	90.2	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-67.6	-37	177.8	-163.5	-100.5	0	0	0	111.8	I179 T183 M318 L321 I325 L444 P447 L451 P460 S461 S462 Q463 L467 L468 F471	I179-F465 HydrophobicContact CG2-CE1 4.15Å; T183-F465 HydrophobicContact CG2-CB 4.24Å; T183-F465 HydrophobicContact CG2-CD1 3.73Å; T183-F465 HydrophobicContact CG2-CG 4.48Å; M318-F465 HydrophobicContact CE-CB 3.87Å; M318-F465 HydrophobicContact CE-CD1 4.44Å; M318-F465 HydrophobicContact CE-CG 4.13Å; L321-F465 HydrophobicContact CD2-CD1 4.18Å; L321-F465 HydrophobicContact CD2-CE1 4.09Å; I325-F465 HydrophobicContact CD1-CE1 4.17Å; I325-F465 HydrophobicContact CD1-CZ 3.78Å; L444-F465 HydrophobicContact CD2-CZ 4.12Å; P447-F465 HydrophobicContact CB-CD2 4.17Å; P447-F465 HydrophobicContact CB-CE2 3.7Å; L451-F465 HydrophobicContact CD1-CD2 4Å; L451-F465 HydrophobicContact CD1-CE2 3.46Å; L451-F465 VanDerWaalsContact CD1-CE2 3.46Å; L451-F465 HydrophobicContact CD1-CZ 3.77Å; L451-F465 HydrophobicContact CD2-CD2 4.39Å; L451-F465 HydrophobicContact CG-CD2 4.33Å; L451-F465 HydrophobicContact CG-CE2 4.13Å; P460-F465 HydrophobicContact CG-CD2 4.03Å; S461-F465 WeakPolarHBondContact O-CB 3.27Å; S461-F465 PolarHBondContact O-N 3.5Å; S462-F465 PolarHBondContact O-N 3.3Å; Q463-F465 VanDerWaalsContact C-N 3.35Å; F465-L467 PolarHBondContact O-N 2.99Å; F465-L468 HydrophobicContact CD1-CD1 4.41Å; F465-L468 HydrophobicContact CD2-CD1 3.59Å; F465-L468 HydrophobicContact CE1-CD1 4.33Å; F465-L468 HydrophobicContact CE2-CD1 3.49Å; F465-L468 VanDerWaalsContact CE2-CD1 3.49Å; F465-L468 HydrophobicContact CG-CD1 4.06Å; F465-L468 HydrophobicContact CZ-CD1 3.88Å; F465-L468 WeakPolarHBondContact O-CB 3.23Å; F465-L468 WeakPolarHBondContact O-CG 3.42Å; F465-L468 PolarHBondContact O-N 3.47Å; F465-F471 HydrophobicContact CD1-CE2 4.06Å; F465-F471 HydrophobicContact CD1-CZ 4.33Å; F465-F471 HydrophobicContact CE1-CE2 4.05Å; F465-F471 AromaticContact CE1-CZ 3.93Å; F465-F471 HydrophobicContact CE1-CZ 3.93Å; F465-F471 VanDerWaalsContact O-CE2 3.26Å; F465-F471 WeakPolarHBondContact O-CE2 3.28Å
466	A	92.7	Very high	90.3	Very high	11 Å²	11	53.8 Å²	53.8	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-24.3	174.8	0	0	0	0	0	113.5	T183 S462 Q463 L468	T183-A466 HydrophobicContact CG2-CB 3.84Å; S462-A466 WeakPolarHBondContact O-CB 3.5Å; S462-A466 PolarHBondContact O-N 3.31Å; Q463-A466 PolarHBondContact O-N 3.22Å; A466-L468 VanDerWaalsContact C-N 3.31Å; A466-L468 PolarHBondContact O-N 3.09Å
467	L	92.5	Very high	90.2	Very high	123 Å²	123	55.6 Å²	55.6	64%	0.644	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	4.3	-179.2	-64	174.5	0	0	0	114.2	Q463 L464 F465 K469	Q463-L467 WeakPolarHBondContact O-CG 3.42Å; L464-L467 PolarHBondContact O-N 3.48Å; F465-L467 PolarHBondContact O-N 2.99Å; L467-K469 PolarHBondContact O-N 2.84Å
468	L	93.4	Very high	90.2	Very high	34 Å²	34	49.6 Å²	49.6	18%	0.178	25%	0.254	C	S	.	.			trans	-61.5	136.9	178.1	-71.2	174.5	0	0	0	111.1	L444 P447 F465 A466 F470 F471	L444-L468 HydrophobicContact CD2-CD1 4.12Å; P447-L468 HydrophobicContact CB-CD1 3.76Å; P447-L468 HydrophobicContact CB-CD2 4.16Å; P447-L468 HydrophobicContact CG-CD1 3.84Å; P447-L468 HydrophobicContact CG-CD2 3.52Å; P447-L468 HydrophobicContact CG-CG 4.36Å; F465-L468 HydrophobicContact CD1-CD1 4.41Å; F465-L468 HydrophobicContact CD2-CD1 3.59Å; F465-L468 HydrophobicContact CE1-CD1 4.33Å; F465-L468 HydrophobicContact CE2-CD1 3.49Å; F465-L468 VanDerWaalsContact CE2-CD1 3.49Å; F465-L468 HydrophobicContact CG-CD1 4.06Å; F465-L468 HydrophobicContact CZ-CD1 3.88Å; F465-L468 WeakPolarHBondContact O-CB 3.23Å; F465-L468 WeakPolarHBondContact O-CG 3.42Å; F465-L468 PolarHBondContact O-N 3.47Å; A466-L468 VanDerWaalsContact C-N 3.31Å; A466-L468 PolarHBondContact O-N 3.09Å; L468-F470 HydrophobicContact CB-CB 4.26Å; L468-F470 PolarHBondContact O-N 3.17Å; L468-F471 HydrophobicContact CB-CD2 4.04Å; L468-F471 HydrophobicContact CB-CE2 4.27Å; L468-F471 HydrophobicContact CD1-CE2 4.37Å; L468-F471 PolarHBondContact O-N 2.86Å
469	K	90.1	Very high	89.7	Confident	180 Å²	180	43.2 Å²	43.2	78%	0.783	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-53.2	-26.6	173.8	-67.6	-176.9	179.3	-179.5	0	112.9	L467 F471 N472	L467-K469 PolarHBondContact O-N 2.84Å; K469-F471 PolarHBondContact O-N 2.7Å; K469-N472 PolarHBondContact O-N 3.03Å; K469-N472 VanDerWaalsContact O-N 3.09Å
470	F	91.3	Very high	89.2	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.039	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-52.7	-35.5	173.7	179.5	-109.3	0	0	0	113.7	K176 P441 E443 L444 L468	K176-F470 HydrophobicContact CB-CE1 4.04Å; K176-F470 HydrophobicContact CB-CZ 3.75Å; K176-F470 HydrophobicContact CD-CE1 4.4Å; K176-F470 HydrophobicContact CD-CE2 4.41Å; K176-F470 HydrophobicContact CD-CZ 4.16Å; K176-F470 WeakPolarHBondContact CD-O 3.19Å; K176-F470 VanDerWaalsContact CE-O 3.27Å; K176-F470 WeakPolarHBondContact CE-O 3.47Å; K176-F470 HydrophobicContact CG-CD1 4.32Å; K176-F470 HydrophobicContact CG-CE1 3.62Å; K176-F470 HydrophobicContact CG-CE2 4.36Å; K176-F470 HydrophobicContact CG-CZ 3.64Å; K176-F470 PolarHBondContact NZ-O 2.93Å; P441-F470 HydrophobicContact CB-CD2 4.07Å; P441-F470 HydrophobicContact CB-CE2 3.74Å; P441-F470 HydrophobicContact CG-CD2 4.42Å; P441-F470 HydrophobicContact CG-CE2 3.6Å; P441-F470 HydrophobicContact CG-CZ 4.24Å; E443-F470 HydrophobicContact CB-CB 3.95Å; E443-F470 HydrophobicContact CB-CD2 4.41Å; L444-F470 HydrophobicContact CD1-CD1 3.94Å; L444-F470 HydrophobicContact CD1-CD2 4.31Å; L444-F470 HydrophobicContact CD1-CE1 3.57Å; L444-F470 HydrophobicContact CD1-CE2 4Å; L444-F470 HydrophobicContact CD1-CG 4.29Å; L444-F470 HydrophobicContact CD1-CZ 3.6Å; L444-F470 HydrophobicContact CD2-CB 4.3Å; L444-F470 HydrophobicContact CD2-CD1 3.61Å; L444-F470 HydrophobicContact CD2-CE1 4.07Å; L444-F470 HydrophobicContact CD2-CG 3.91Å; L444-F470 HydrophobicContact CG-CB 4.47Å; L444-F470 HydrophobicContact CG-CD1 3.79Å; L444-F470 HydrophobicContact CG-CD2 4Å; L444-F470 HydrophobicContact CG-CE1 3.97Å; L444-F470 HydrophobicContact CG-CE2 4.2Å; L444-F470 HydrophobicContact CG-CG 3.8Å; L444-F470 HydrophobicContact CG-CZ 4.17Å; L468-F470 HydrophobicContact CB-CB 4.26Å; L468-F470 PolarHBondContact O-N 3.17Å
471	F	90.3	Very high	88.7	Confident	1 Å²	1	42.8 Å²	42.8	0%	0.004	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-88.8	-16.5	179.4	-58.8	-55.2	0	0	0	113.6	K176 I179 Y180 F465 L468 K469 D473	K176-F471 HydrophobicContact CG-CD1 4.49Å; I179-F471 HydrophobicContact CB-CE1 4.39Å; I179-F471 HydrophobicContact CG2-CE1 4.11Å; I179-F471 HydrophobicContact CG2-CZ 3.84Å; Y180-F471 HydrophobicContact CD2-CB 3.81Å; Y180-F471 AromaticContact CD2-CD1 3.73Å; Y180-F471 HydrophobicContact CD2-CD1 3.73Å; Y180-F471 HydrophobicContact CD2-CD2 4.2Å; Y180-F471 HydrophobicContact CD2-CE1 4.33Å; Y180-F471 AromaticContact CD2-CG 3.66Å; Y180-F471 HydrophobicContact CD2-CG 3.66Å; Y180-F471 HydrophobicContact CE2-CB 4.23Å; Y180-F471 HydrophobicContact CE2-CG 4.45Å; Y180-F471 HydrophobicContact CG-CD1 4.17Å; F465-F471 HydrophobicContact CD1-CE2 4.06Å; F465-F471 HydrophobicContact CD1-CZ 4.33Å; F465-F471 HydrophobicContact CE1-CE2 4.05Å; F465-F471 AromaticContact CE1-CZ 3.93Å; F465-F471 HydrophobicContact CE1-CZ 3.93Å; F465-F471 VanDerWaalsContact O-CE2 3.26Å; F465-F471 WeakPolarHBondContact O-CE2 3.28Å; L468-F471 HydrophobicContact CB-CD2 4.04Å; L468-F471 HydrophobicContact CB-CE2 4.27Å; L468-F471 HydrophobicContact CD1-CE2 4.37Å; L468-F471 PolarHBondContact O-N 2.86Å; K469-F471 PolarHBondContact O-N 2.7Å; F471-D473 PolarHBondContact O-N 3.24Å
472	N	86.2	Confident	88	Confident	101 Å²	101	40.5 Å²	40.5	54%	0.54	21%	0.208	S	C	.	.			trans	-79	41	177.4	-67.6	-14.3	0	0	0	112.5	K469	K469-N472 PolarHBondContact O-N 3.03Å; K469-N472 VanDerWaalsContact O-N 3.09Å
473	D	84.7	Confident	87.2	Confident	35 Å²	35	42.4 Å²	42.4	19%	0.187	22%	0.218	C	C	.	.			trans	-90.9	123.5	175	179.3	-23.8	0	0	0	108.4	K176 F471 T475 M476 L477	K176-D473 HydrophobicContact CD-CB 4.23Å; K176-D473 IonicContact NZ-OD2 2.63Å; K176-D473 PolarHBondContact NZ-OD2 2.96Å; F471-D473 PolarHBondContact O-N 3.24Å; D473-T475 PolarHBondContact O-N 2.94Å; D473-T475 WeakPolarHBondContact OD1-CB 3.3Å; D473-T475 PolarHBondContact OD1-N 3.23Å; D473-T475 PolarHBondContact OD1-OG1 3.32Å; D473-M476 HydrophobicContact CB-CB 3.82Å; D473-M476 WeakPolarHBondContact O-CA 3.42Å; D473-M476 WeakPolarHBondContact O-CB 3.34Å; D473-M476 PolarHBondContact O-N 3.15Å; D473-L477 WeakPolarHBondContact O-CG 3.39Å; D473-L477 PolarHBondContact O-N 3.03Å
474	P	83.5	Confident	86.3	Confident	54 Å²	54	38.1 Å²	38.1	35%	0.351	20%	0.199	S	C	.	.	H	α-helix	trans	-53.5	-37.8	-179.6	-25.9	33.7	0	0	0	113.2	M476 L477 L478 I499	P474-M476 VanDerWaalsContact C-N 3.31Å; P474-M476 PolarHBondContact O-N 3.47Å; P474-L477 PolarHBondContact O-N 3.36Å; P474-L478 WeakPolarHBondContact O-CB 3.44Å; P474-L478 PolarHBondContact O-N 3.45Å; P474-I499 HydrophobicContact CB-CG2 3.81Å; P474-I499 WeakPolarHBondContact O-CG2 3.15Å
475	T	83.2	Confident	85.6	Confident	17 Å²	17	33.7 Å²	33.7	10%	0.104	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-39.4	177.8	-54	0	0	0	0	111.2	M173 D473 L479 L507 I511	M173-T475 HydrophobicContact CE-CG2 3.91Å; M173-T475 HydrophobicContact SD-CG2 4.34Å; D473-T475 PolarHBondContact O-N 2.94Å; D473-T475 WeakPolarHBondContact OD1-CB 3.3Å; D473-T475 PolarHBondContact OD1-N 3.23Å; D473-T475 PolarHBondContact OD1-OG1 3.32Å; T475-L479 HydrophobicContact CG2-CD1 4.19Å; T475-L479 WeakPolarHBondContact O-CB 3.26Å; T475-L479 WeakPolarHBondContact O-CD1 3.31Å; T475-L479 VanDerWaalsContact O-CG 3.24Å; T475-L479 WeakPolarHBondContact O-CG 3.42Å; T475-L479 PolarHBondContact O-N 3.01Å; T475-L479 VanDerWaalsContact O-N 3.11Å; T475-L507 HydrophobicContact CG2-CD2 3.74Å; T475-I511 HydrophobicContact CG2-CD1 4.37Å; T475-I511 HydrophobicContact CG2-CG2 4.42Å
476	M	85.3	Confident	84.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.9	-48	180	-171.9	-81.7	122.6	0	0	110.8	M173 K176 L177 Y180 D473 P474 L478 L479 D480	M173-M476 HydrophobicContact SD-CB 4.29Å; K176-M476 HydrophobicContact CD-CB 4.13Å; K176-M476 HydrophobicContact CD-CG 4.02Å; K176-M476 HydrophobicContact CG-CG 4.05Å; L177-M476 HydrophobicContact CD2-CE 3.54Å; L177-M476 HydrophobicContact CD2-CG 3.82Å; Y180-M476 HydrophobicContact CD1-CE 3.11Å; Y180-M476 HydrophobicContact CD1-SD 4.12Å; Y180-M476 HydrophobicContact CD2-CE 4.2Å; Y180-M476 HydrophobicContact CD2-SD 4.17Å; Y180-M476 HydrophobicContact CE1-CE 3.55Å; Y180-M476 HydrophobicContact CE1-SD 4.44Å; Y180-M476 HydrophobicContact CE2-SD 4.5Å; Y180-M476 HydrophobicContact CG-CE 3.46Å; Y180-M476 VanDerWaalsContact CG-CE 3.46Å; Y180-M476 HydrophobicContact CG-SD 3.94Å; D473-M476 HydrophobicContact CB-CB 3.82Å; D473-M476 WeakPolarHBondContact O-CA 3.42Å; D473-M476 WeakPolarHBondContact O-CB 3.34Å; D473-M476 PolarHBondContact O-N 3.15Å; P474-M476 VanDerWaalsContact C-N 3.31Å; P474-M476 PolarHBondContact O-N 3.47Å; M476-L478 VanDerWaalsContact C-N 3.33Å; M476-L478 PolarHBondContact O-N 2.9Å; M476-L479 PolarHBondContact O-N 3.28Å; M476-D480 HydrophobicContact CE-CB 3.5Å; M476-D480 PolarHBondContact O-N 3.28Å
477	L	84.5	Confident	83.6	Confident	55 Å²	55	43.5 Å²	43.5	29%	0.288	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-40.2	177.7	-66.2	176.2	0	0	0	112.1	D473 P474 G481 I499	D473-L477 WeakPolarHBondContact O-CG 3.39Å; D473-L477 PolarHBondContact O-N 3.03Å; P474-L477 PolarHBondContact O-N 3.36Å; L477-G481 PolarHBondContact O-N 3.47Å; L477-I499 HydrophobicContact CB-CD1 3.84Å; L477-I499 HydrophobicContact CD1-CD1 4.35Å
478	L	84.9	Confident	82.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-49.2	173.7	175.4	63.6	0	0	0	111.4	P474 M476 G481 I482 A496 I499 L500 L507 I516	P474-L478 WeakPolarHBondContact O-CB 3.44Å; P474-L478 PolarHBondContact O-N 3.45Å; M476-L478 VanDerWaalsContact C-N 3.33Å; M476-L478 PolarHBondContact O-N 2.9Å; L478-G481 PolarHBondContact O-N 3.35Å; L478-I482 HydrophobicContact CD1-CD1 3.36Å; L478-I482 HydrophobicContact CD1-CG1 4.13Å; L478-I482 HydrophobicContact CG-CD1 3.89Å; L478-I482 WeakPolarHBondContact O-CB 3.48Å; L478-I482 WeakPolarHBondContact O-CG1 2.97Å; L478-I482 PolarHBondContact O-N 3.38Å; L478-A496 WeakPolarHBondContact CD1-O 3.34Å; L478-I499 HydrophobicContact CB-CG2 4.01Å; L478-L500 HydrophobicContact CD1-CB 3.83Å; L478-L500 HydrophobicContact CD2-CB 4.43Å; L478-L500 HydrophobicContact CD2-CD1 4.11Å; L478-L507 HydrophobicContact CD2-CD1 3.71Å; L478-L507 HydrophobicContact CD2-CD2 4.01Å; L478-I516 HydrophobicContact CD2-CD1 3.78Å; L478-I516 HydrophobicContact CG-CD1 4.44Å
479	L	81.1	Confident	82.2	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-48.4	-179.9	-75.3	168.7	0	0	0	111.4	M173 L177 T475 M476 G481 I482 I483 I511 R515 I516	M173-L479 HydrophobicContact CG-CD1 4.18Å; L177-L479 HydrophobicContact CD1-CB 4.28Å; L177-L479 HydrophobicContact CD1-CD1 3.55Å; L177-L479 HydrophobicContact CD1-CG 4.49Å; L177-L479 HydrophobicContact CD2-CB 3.9Å; L177-L479 HydrophobicContact CD2-CD1 4.28Å; L177-L479 HydrophobicContact CG-CD1 4.34Å; T475-L479 HydrophobicContact CG2-CD1 4.19Å; T475-L479 WeakPolarHBondContact O-CB 3.26Å; T475-L479 WeakPolarHBondContact O-CD1 3.31Å; T475-L479 VanDerWaalsContact O-CG 3.24Å; T475-L479 WeakPolarHBondContact O-CG 3.42Å; T475-L479 PolarHBondContact O-N 3.01Å; T475-L479 VanDerWaalsContact O-N 3.11Å; M476-L479 PolarHBondContact O-N 3.28Å; L479-G481 VanDerWaalsContact C-N 3.34Å; L479-G481 PolarHBondContact O-N 3.41Å; L479-I482 PolarHBondContact O-N 3.42Å; L479-I483 HydrophobicContact CB-CD1 4.18Å; L479-I483 WeakPolarHBondContact O-CB 3.31Å; L479-I483 VanDerWaalsContact O-CD1 3.23Å; L479-I483 WeakPolarHBondContact O-CD1 3.43Å; L479-I483 WeakPolarHBondContact O-CG1 3.48Å; L479-I483 PolarHBondContact O-N 3.48Å; L479-I511 HydrophobicContact CD1-CG2 3.79Å; L479-I511 HydrophobicContact CD2-CG2 3.98Å; L479-I511 HydrophobicContact CG-CG2 4.3Å; L479-R515 HydrophobicContact CD2-CB 4.49Å; L479-I516 HydrophobicContact CD2-CD1 4.08Å; L479-I516 HydrophobicContact CD2-CG1 3.59Å
480	D	82.9	Confident	81.5	Confident	10 Å²	10	34.2 Å²	34.2	5%	0.053	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-41	178.5	173.1	69.1	0	0	0	112.8	Y180 M476 N484 K488	Y180-D480 HydrophobicContact CE1-CB 4.18Å; M476-D480 HydrophobicContact CE-CB 3.5Å; M476-D480 PolarHBondContact O-N 3.28Å; D480-N484 PolarHBondContact O-N 3.26Å; D480-K488 VanDerWaalsContact CG-NZ 3.29Å; D480-K488 IonicContact OD1-NZ 3.48Å; D480-K488 PolarHBondContact OD1-NZ 3.23Å; D480-K488 WeakPolarHBondContact OD2-CE 3.31Å; D480-K488 IonicContact OD2-NZ 2.63Å; D480-K488 PolarHBondContact OD2-NZ 3.09Å
481	G	82.2	Confident	80.8	Confident	3 Å²	3	39.5 Å²	39.5	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-36.6	176.5	0	0	0	0	0	113.5	L477 L478 L479 F485	L477-G481 PolarHBondContact O-N 3.47Å; L478-G481 PolarHBondContact O-N 3.35Å; L479-G481 VanDerWaalsContact C-N 3.34Å; L479-G481 PolarHBondContact O-N 3.41Å; G481-F485 VanDerWaalsContact O-CA 3.3Å; G481-F485 WeakPolarHBondContact O-CA 3.35Å; G481-F485 PolarHBondContact O-N 3.12Å
482	I	81.3	Confident	80.4	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-81.3	-41	-178.8	-74.4	175.1	0	0	0	112.4	L478 L479 N484 F485 I516 T519 L520 L523	L478-I482 HydrophobicContact CD1-CD1 3.36Å; L478-I482 HydrophobicContact CD1-CG1 4.13Å; L478-I482 HydrophobicContact CG-CD1 3.89Å; L478-I482 WeakPolarHBondContact O-CB 3.48Å; L478-I482 WeakPolarHBondContact O-CG1 2.97Å; L478-I482 PolarHBondContact O-N 3.38Å; L479-I482 PolarHBondContact O-N 3.42Å; I482-N484 PolarHBondContact O-N 3.41Å; I482-F485 WeakPolarHBondContact O-CB 3.3Å; I482-F485 PolarHBondContact O-N 3.45Å; I482-I516 HydrophobicContact CD1-CG2 4.2Å; I482-T519 HydrophobicContact CG2-CG2 3.36Å; I482-L520 HydrophobicContact CD1-CD2 3.72Å; I482-L520 HydrophobicContact CD1-CG 4.39Å; I482-L520 HydrophobicContact CG1-CD2 4.45Å; I482-L523 HydrophobicContact CG2-CD1 3.95Å
483	I	77.5	Confident	80.3	Confident	41 Å²	41	38.8 Å²	38.8	21%	0.21	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-46.3	-175.8	-72.9	158.6	0	0	0	111	Q212 L479	Q212-I483 VanDerWaalsContact CD-CG2 3.4Å; Q212-I483 HydrophobicContact CG-CG2 4.01Å; L479-I483 HydrophobicContact CB-CD1 4.18Å; L479-I483 WeakPolarHBondContact O-CB 3.31Å; L479-I483 VanDerWaalsContact O-CD1 3.23Å; L479-I483 WeakPolarHBondContact O-CD1 3.43Å; L479-I483 WeakPolarHBondContact O-CG1 3.48Å; L479-I483 PolarHBondContact O-N 3.48Å
484	N	75.3	Confident	80.1	Confident	16 Å²	16	39.2 Å²	39.2	9%	0.086	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	30.1	-177.6	-69.9	-43	0	0	0	111.5	P120 D480 I482 Q486 V487 K488	P120-N484 HydrophobicContact CB-CB 4.37Å; D480-N484 PolarHBondContact O-N 3.26Å; I482-N484 PolarHBondContact O-N 3.41Å; N484-Q486 PolarHBondContact O-N 3.02Å; N484-V487 PolarHBondContact O-N 3.05Å; N484-K488 HydrophobicContact CB-CG 4.4Å; N484-K488 WeakPolarHBondContact O-CG 3.33Å; N484-K488 PolarHBondContact O-N 3.1Å
485	F	78.6	Confident	80.2	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.035	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-41.6	-170.9	-167.9	-98.7	0	0	0	113	G481 I482 V487 K488 R493 L497 L523 L562	G481-F485 VanDerWaalsContact O-CA 3.3Å; G481-F485 WeakPolarHBondContact O-CA 3.35Å; G481-F485 PolarHBondContact O-N 3.12Å; I482-F485 WeakPolarHBondContact O-CB 3.3Å; I482-F485 PolarHBondContact O-N 3.45Å; F485-V487 VanDerWaalsContact C-N 3.25Å; F485-V487 PolarHBondContact O-N 3Å; F485-K488 PolarHBondContact O-N 3.27Å; F485-R493 HydrophobicContact CD1-CG 4.44Å; F485-R493 HydrophobicContact CD2-CB 4.2Å; F485-R493 HydrophobicContact CD2-CG 3.78Å; F485-R493 HydrophobicContact CE1-CG 4.39Å; F485-R493 HydrophobicContact CE2-CB 3.66Å; F485-R493 HydrophobicContact CE2-CG 3.7Å; F485-R493 HydrophobicContact CG-CG 4.17Å; F485-R493 HydrophobicContact CZ-CB 4.01Å; F485-R493 HydrophobicContact CZ-CG 4.04Å; F485-R493 VanDerWaalsContact O-CD 3.26Å; F485-R493 WeakPolarHBondContact O-CD 3.43Å; F485-L497 HydrophobicContact CE2-CD1 4.23Å; F485-L497 HydrophobicContact CE2-CG 4.39Å; F485-L497 HydrophobicContact CZ-CD1 4.33Å; F485-L523 HydrophobicContact CB-CD1 4.29Å; F485-L523 HydrophobicContact CB-CD2 3.72Å; F485-L523 HydrophobicContact CD1-CD2 3.49Å; F485-L523 VanDerWaalsContact CD1-CD2 3.49Å; F485-L523 HydrophobicContact CD2-CD1 4.25Å; F485-L523 HydrophobicContact CE1-CD2 4.16Å; F485-L523 HydrophobicContact CG-CD1 4.17Å; F485-L523 HydrophobicContact CG-CD2 3.68Å; F485-L562 HydrophobicContact CE1-CD1 4.29Å; F485-L562 HydrophobicContact CZ-CB 4.47Å; F485-L562 HydrophobicContact CZ-CD1 4.03Å; F485-L562 HydrophobicContact CZ-CD2 4.15Å; F485-L562 HydrophobicContact CZ-CG 4.46Å
486	Q	73	Confident	80.2	Confident	119 Å²	119	41.8 Å²	41.8	56%	0.556	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.3	-178.2	-62.4	-175.7	1.8	0	0	114.6	N484 E526	N484-Q486 PolarHBondContact O-N 3.02Å; Q486-E526 PolarHBondContact NE2-OE2 3.02Å
487	V	74.1	Confident	80.1	Confident	101 Å²	101	41.8 Å²	41.8	61%	0.612	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-18.9	-177.8	-171.9	0	0	0	0	111.9	P120 N484 F485	P120-V487 HydrophobicContact CG-CB 3.97Å; P120-V487 HydrophobicContact CG-CG1 3.6Å; P120-V487 HydrophobicContact CG-CG2 4.13Å; N484-V487 PolarHBondContact O-N 3.05Å; F485-V487 VanDerWaalsContact C-N 3.25Å; F485-V487 PolarHBondContact O-N 3Å
488	K	77.9	Confident	80.1	Confident	38 Å²	38	43.5 Å²	43.5	17%	0.165	22%	0.218	C	C	.	.	S	Bend	trans	-75.3	151.5	-178.6	-66.7	-76.1	173.7	168.6	0	111.3	D480 N484 F485 D492 R493	D480-K488 VanDerWaalsContact CG-NZ 3.29Å; D480-K488 IonicContact OD1-NZ 3.48Å; D480-K488 PolarHBondContact OD1-NZ 3.23Å; D480-K488 WeakPolarHBondContact OD2-CE 3.31Å; D480-K488 IonicContact OD2-NZ 2.63Å; D480-K488 PolarHBondContact OD2-NZ 3.09Å; N484-K488 HydrophobicContact CB-CG 4.4Å; N484-K488 WeakPolarHBondContact O-CG 3.33Å; N484-K488 PolarHBondContact O-N 3.1Å; F485-K488 PolarHBondContact O-N 3.27Å; K488-D492 HydrophobicContact CB-CB 4.16Å; K488-D492 HydrophobicContact CD-CB 4.48Å; K488-R493 HydrophobicContact CB-CG 4.07Å
489	S	78.5	Confident	80	Confident	48 Å²	48	44.5 Å²	44.5	34%	0.336	22%	0.223	S	C	.	.			trans	-67.1	163.1	175.5	84.4	0	0	0	0	111.3	E491 D492 R493	S489-E491 VanDerWaalsContact C-N 3.27Å; S489-E491 VanDerWaalsContact CB-OE2 3.25Å; S489-E491 WeakPolarHBondContact CB-OE2 3.43Å; S489-E491 PolarHBondContact O-N 3.46Å; S489-E491 PolarHBondContact OG-OE2 3.06Å; S489-D492 PolarHBondContact O-N 3.17Å; S489-D492 VanDerWaalsContact O-N 3.15Å; S489-D492 PolarHBondContact OG-N 3.37Å; S489-R493 VanDerWaalsContact O-CG 3.31Å; S489-R493 WeakPolarHBondContact O-CG 3.05Å; S489-R493 PolarHBondContact O-N 2.84Å
490	D	74.4	Confident	80.1	Confident	56 Å²	56	44.4 Å²	44.4	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-36.5	-177.2	-63.1	8.8	0	0	0	111.1	R493 T494 I558	D490-R493 VanDerWaalsContact CG-NH2 3.34Å; D490-R493 PolarHBondContact O-N 2.92Å; D490-R493 IonicContact OD1-CZ 3.56Å; D490-R493 IonicContact OD1-NE 3.12Å; D490-R493 IonicContact OD1-NH2 3.03Å; D490-R493 PolarHBondContact OD1-NH2 2.77Å; D490-R493 IonicContact OD2-NH2 3.86Å; D490-T494 WeakPolarHBondContact O-CB 3.28Å; D490-T494 VanDerWaalsContact O-CG2 3.32Å; D490-T494 WeakPolarHBondContact O-CG2 3.49Å; D490-T494 PolarHBondContact O-N 3.19Å; D490-T494 PolarHBondContact O-OG1 2.91Å; D490-I558 WeakPolarHBondContact OD2-CD1 3.48Å
491	E	78.4	Confident	79.9	Confident	119 Å²	119	46.7 Å²	46.7	56%	0.556	23%	0.233	S	C	*	.	H	α-helix	trans	-66	-38.2	174.8	-52.3	83.9	-176.1	0	0	112.1	S489 T494 R495	S489-E491 VanDerWaalsContact C-N 3.27Å; S489-E491 VanDerWaalsContact CB-OE2 3.25Å; S489-E491 WeakPolarHBondContact CB-OE2 3.43Å; S489-E491 PolarHBondContact O-N 3.46Å; S489-E491 PolarHBondContact OG-OE2 3.06Å; E491-T494 VanDerWaalsContact CA-OG1 3.31Å; E491-T494 WeakPolarHBondContact CA-OG1 3.23Å; E491-T494 PolarHBondContact O-OG1 3.38Å; E491-R495 WeakPolarHBondContact O-CB 3.32Å; E491-R495 PolarHBondContact O-N 3.35Å
492	D	80.6	Confident	79.9	Confident	57 Å²	57	51.9 Å²	51.9	31%	0.305	26%	0.26	S	S	.	.	H	α-helix	trans	-71.6	-39.2	177.6	-74.3	-13.3	0	0	0	111.5	K488 S489 R495 A496	K488-D492 HydrophobicContact CB-CB 4.16Å; K488-D492 HydrophobicContact CD-CB 4.48Å; S489-D492 PolarHBondContact O-N 3.17Å; S489-D492 VanDerWaalsContact O-N 3.15Å; S489-D492 PolarHBondContact OG-N 3.37Å; D492-R495 PolarHBondContact O-N 2.95Å; D492-R495 IonicContact OD1-CZ 3.83Å; D492-R495 IonicContact OD1-NH1 3.55Å; D492-R495 PolarHBondContact OD1-NH1 2.93Å; D492-R495 IonicContact OD1-NH2 3.57Å; D492-R495 PolarHBondContact OD1-NH2 3.33Å; D492-A496 WeakPolarHBondContact O-CB 3.21Å; D492-A496 PolarHBondContact O-N 3.13Å
493	R	83.5	Confident	79.8	Confident	31 Å²	31	53.9 Å²	53.9	12%	0.117	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-49.2	175.7	-72.3	-169.3	-75.5	171.3	0.7	111.8	F485 K488 S489 D490 A496 L497 L562	F485-R493 HydrophobicContact CD1-CG 4.44Å; F485-R493 HydrophobicContact CD2-CB 4.2Å; F485-R493 HydrophobicContact CD2-CG 3.78Å; F485-R493 HydrophobicContact CE1-CG 4.39Å; F485-R493 HydrophobicContact CE2-CB 3.66Å; F485-R493 HydrophobicContact CE2-CG 3.7Å; F485-R493 HydrophobicContact CG-CG 4.17Å; F485-R493 HydrophobicContact CZ-CB 4.01Å; F485-R493 HydrophobicContact CZ-CG 4.04Å; F485-R493 VanDerWaalsContact O-CD 3.26Å; F485-R493 WeakPolarHBondContact O-CD 3.43Å; K488-R493 HydrophobicContact CB-CG 4.07Å; S489-R493 VanDerWaalsContact O-CG 3.31Å; S489-R493 WeakPolarHBondContact O-CG 3.05Å; S489-R493 PolarHBondContact O-N 2.84Å; D490-R493 VanDerWaalsContact CG-NH2 3.34Å; D490-R493 PolarHBondContact O-N 2.92Å; D490-R493 IonicContact OD1-CZ 3.56Å; D490-R493 IonicContact OD1-NE 3.12Å; D490-R493 IonicContact OD1-NH2 3.03Å; D490-R493 PolarHBondContact OD1-NH2 2.77Å; D490-R493 IonicContact OD2-NH2 3.86Å; R493-A496 PolarHBondContact O-N 2.84Å; R493-L497 WeakPolarHBondContact O-CG 3.39Å; R493-L497 PolarHBondContact O-N 3.03Å; R493-L497 VanDerWaalsContact O-N 3.11Å; R493-L562 HydrophobicContact CB-CD2 3.95Å
494	T	81.7	Confident	79.6	Confident	43 Å²	43	52.1 Å²	52.1	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-61.8	-44.7	177.1	46.8	0	0	0	0	111.3	D490 E491 A496 L497 Q498 L562 L565	D490-T494 WeakPolarHBondContact O-CB 3.28Å; D490-T494 VanDerWaalsContact O-CG2 3.32Å; D490-T494 WeakPolarHBondContact O-CG2 3.49Å; D490-T494 PolarHBondContact O-N 3.19Å; D490-T494 PolarHBondContact O-OG1 2.91Å; E491-T494 VanDerWaalsContact CA-OG1 3.31Å; E491-T494 WeakPolarHBondContact CA-OG1 3.23Å; E491-T494 PolarHBondContact O-OG1 3.38Å; T494-A496 VanDerWaalsContact C-N 3.34Å; T494-A496 PolarHBondContact O-N 2.97Å; T494-L497 PolarHBondContact O-N 3.11Å; T494-Q498 WeakPolarHBondContact O-CB 3.41Å; T494-Q498 WeakPolarHBondContact O-CG 3.48Å; T494-Q498 PolarHBondContact O-N 3.31Å; T494-L562 HydrophobicContact CG2-CD2 3.79Å; T494-L565 HydrophobicContact CG2-CD1 4Å
495	R	84.5	Confident	79.6	Confident	122 Å²	122	57.5 Å²	57.5	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-42	175.9	-164.8	-174.6	-51.3	118.2	11	112.2	E491 D492 Q498 I499	E491-R495 WeakPolarHBondContact O-CB 3.32Å; E491-R495 PolarHBondContact O-N 3.35Å; D492-R495 PolarHBondContact O-N 2.95Å; D492-R495 IonicContact OD1-CZ 3.83Å; D492-R495 IonicContact OD1-NH1 3.55Å; D492-R495 PolarHBondContact OD1-NH1 2.93Å; D492-R495 IonicContact OD1-NH2 3.57Å; D492-R495 PolarHBondContact OD1-NH2 3.33Å; R495-Q498 PolarHBondContact O-N 2.88Å; R495-I499 HydrophobicContact CG-CD1 4.37Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.14Å; R495-I499 PolarHBondContact O-N 3.24Å
496	A	84.2	Confident	79.6	Confident	3 Å²	3	63 Å²	63	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-45.6	176.6	0	0	0	0	0	111.6	L478 D492 R493 T494 I499 L500	L478-A496 WeakPolarHBondContact CD1-O 3.34Å; D492-A496 WeakPolarHBondContact O-CB 3.21Å; D492-A496 PolarHBondContact O-N 3.13Å; R493-A496 PolarHBondContact O-N 2.84Å; T494-A496 VanDerWaalsContact C-N 3.34Å; T494-A496 PolarHBondContact O-N 2.97Å; A496-I499 WeakPolarHBondContact O-CB 3.47Å; A496-I499 PolarHBondContact O-N 3Å; A496-L500 PolarHBondContact O-N 3.21Å; A496-L500 VanDerWaalsContact O-N 3.15Å
497	L	83.8	Confident	79.9	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-35	178.1	-63.3	175.7	0	0	0	112.6	F485 R493 T494 I499 L500 Q501 L520 L562 L565 L566	F485-L497 HydrophobicContact CE2-CD1 4.23Å; F485-L497 HydrophobicContact CE2-CG 4.39Å; F485-L497 HydrophobicContact CZ-CD1 4.33Å; R493-L497 WeakPolarHBondContact O-CG 3.39Å; R493-L497 PolarHBondContact O-N 3.03Å; R493-L497 VanDerWaalsContact O-N 3.11Å; T494-L497 PolarHBondContact O-N 3.11Å; L497-I499 VanDerWaalsContact C-N 3.34Å; L497-L500 WeakPolarHBondContact O-CB 3.45Å; L497-L500 PolarHBondContact O-N 3.23Å; L497-Q501 PolarHBondContact O-N 3.32Å; L497-L520 HydrophobicContact CD2-CD2 4.35Å; L497-L562 HydrophobicContact CD1-CB 4.36Å; L497-L562 HydrophobicContact CD1-CD2 3.9Å; L497-L562 WeakPolarHBondContact CD1-O 3.26Å; L497-L565 HydrophobicContact CB-CB 3.95Å; L497-L565 HydrophobicContact CD1-CB 3.95Å; L497-L566 HydrophobicContact CD1-CB 4.42Å; L497-L566 HydrophobicContact CD2-CB 4.28Å
498	Q	83.7	Confident	80	Confident	91 Å²	91	55.9 Å²	55.9	43%	0.425	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-36.4	172.1	-73.7	171.9	-14.2	0	0	112.2	T494 R495 L500 Q501 N502	T494-Q498 WeakPolarHBondContact O-CB 3.41Å; T494-Q498 WeakPolarHBondContact O-CG 3.48Å; T494-Q498 PolarHBondContact O-N 3.31Å; R495-Q498 PolarHBondContact O-N 2.88Å; Q498-L500 VanDerWaalsContact C-N 3.3Å; Q498-L500 PolarHBondContact O-N 3.11Å; Q498-Q501 PolarHBondContact O-N 2.93Å; Q498-N502 WeakPolarHBondContact O-CB 3.43Å; Q498-N502 PolarHBondContact O-N 3.44Å; Q498-N502 PolarHBondContact O-ND2 3.41Å
499	I	83.7	Confident	79.9	Confident	22 Å²	22	59.3 Å²	59.3	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-40.6	173.6	-70.1	164.2	0	0	0	110.4	P474 L477 L478 R495 A496 L497 N502 N503	P474-I499 HydrophobicContact CB-CG2 3.81Å; P474-I499 WeakPolarHBondContact O-CG2 3.15Å; L477-I499 HydrophobicContact CB-CD1 3.84Å; L477-I499 HydrophobicContact CD1-CD1 4.35Å; L478-I499 HydrophobicContact CB-CG2 4.01Å; R495-I499 HydrophobicContact CG-CD1 4.37Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.14Å; R495-I499 PolarHBondContact O-N 3.24Å; A496-I499 WeakPolarHBondContact O-CB 3.47Å; A496-I499 PolarHBondContact O-N 3Å; L497-I499 VanDerWaalsContact C-N 3.34Å; I499-N502 PolarHBondContact O-N 2.94Å; I499-N503 HydrophobicContact CG2-CB 4.48Å; I499-N503 WeakPolarHBondContact O-CB 3.47Å; I499-N503 PolarHBondContact O-N 2.98Å; I499-N503 PolarHBondContact O-ND2 3.31Å
500	L	83.1	Confident	79.6	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-46.9	174.3	-179.1	65.6	0	0	0	111.3	L478 A496 L497 Q498 N502 A504 L507 I516 L520	L478-L500 HydrophobicContact CD1-CB 3.83Å; L478-L500 HydrophobicContact CD2-CB 4.43Å; L478-L500 HydrophobicContact CD2-CD1 4.11Å; A496-L500 PolarHBondContact O-N 3.21Å; A496-L500 VanDerWaalsContact O-N 3.15Å; L497-L500 WeakPolarHBondContact O-CB 3.45Å; L497-L500 PolarHBondContact O-N 3.23Å; Q498-L500 VanDerWaalsContact C-N 3.3Å; Q498-L500 PolarHBondContact O-N 3.11Å; L500-N502 VanDerWaalsContact C-N 3.25Å; L500-N502 PolarHBondContact O-N 3.43Å; L500-A504 WeakPolarHBondContact O-CB 3.44Å; L500-A504 PolarHBondContact O-N 3.25Å; L500-L507 HydrophobicContact CD1-CD1 4.11Å; L500-I516 HydrophobicContact CD1-CG2 4.47Å; L500-L520 HydrophobicContact CD2-CD1 3.51Å; L500-L520 HydrophobicContact CD2-CD2 4.04Å; L500-L520 HydrophobicContact CD2-CG 4.44Å
501	Q	79	Confident	79.5	Confident	58 Å²	58	60.1 Å²	60.1	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-34.6	179.1	-172.8	-175.3	3.9	0	0	112.6	L497 Q498 S568 H572	L497-Q501 PolarHBondContact O-N 3.32Å; Q498-Q501 PolarHBondContact O-N 2.93Å; Q501-S568 PolarHBondContact NE2-OG 3Å; Q501-H572 PolarHBondContact O-CD2 3.23Å; Q501-H572 PolarHBondContact O-NE2 2.92Å
502	N	81.6	Confident	79.5	Confident	112 Å²	112	54.8 Å²	54.8	60%	0.599	28%	0.279	S	S	*	.	H	α-helix	trans	-99.3	-16.9	-173.2	-65.4	-25.9	0	0	0	114.6	Q498 I499 L500	Q498-N502 WeakPolarHBondContact O-CB 3.43Å; Q498-N502 PolarHBondContact O-N 3.44Å; Q498-N502 PolarHBondContact O-ND2 3.41Å; I499-N502 PolarHBondContact O-N 2.94Å; L500-N502 VanDerWaalsContact C-N 3.25Å; L500-N502 PolarHBondContact O-N 3.43Å
503	N	78.8	Confident	79.4	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	27%	0.267	C	S	.	.	H	α-helix	trans	-131.3	16.3	-171.5	-64	-72.6	0	0	0	114.3	I499 E505 N506	I499-N503 HydrophobicContact CG2-CB 4.48Å; I499-N503 WeakPolarHBondContact O-CB 3.47Å; I499-N503 PolarHBondContact O-N 2.98Å; I499-N503 PolarHBondContact O-ND2 3.31Å; N503-E505 PolarHBondContact O-N 2.92Å; N503-E505 VanDerWaalsContact O-N 3.12Å; N503-N506 PolarHBondContact O-N 3.37Å; N503-N506 VanDerWaalsContact O-N 3.09Å
504	A	74.3	Confident	78.8	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.033	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-54.4	-34.6	-178.5	0	0	0	0	0	112.8	L500 N506 L507 H572 L573	L500-A504 WeakPolarHBondContact O-CB 3.44Å; L500-A504 PolarHBondContact O-N 3.25Å; A504-N506 VanDerWaalsContact C-N 3.28Å; A504-N506 PolarHBondContact O-N 3.21Å; A504-L507 PolarHBondContact O-N 3.47Å; A504-H572 VanDerWaalsContact CB-CD2 3.49Å; A504-H572 WeakPolarHBondContact CB-CD2 3.4Å; A504-L573 HydrophobicContact CB-CD1 4.11Å
505	E	75.3	Confident	78.4	Confident	129 Å²	129	52.7 Å²	52.7	60%	0.603	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-64.9	-28.1	-178.6	-34.4	-164.2	151.3	0	0	114	N503 H572 V576	N503-E505 PolarHBondContact O-N 2.92Å; N503-E505 VanDerWaalsContact O-N 3.12Å; E505-H572 IonicContact OE1-CE1 3.8Å; E505-V576 HydrophobicContact CB-CG1 3.88Å; E505-V576 HydrophobicContact CG-CB 4.37Å; E505-V576 HydrophobicContact CG-CG1 3.74Å; E505-V576 HydrophobicContact CG-CG2 3.74Å; E505-V576 WeakPolarHBondContact OE1-CG2 3.5Å
506	N	78.1	Confident	78.2	Confident	122 Å²	122	46.9 Å²	46.9	65%	0.652	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-88.2	-5.6	-175	-68	-38	0	0	0	112.9	N503 A504	N503-N506 PolarHBondContact O-N 3.37Å; N503-N506 VanDerWaalsContact O-N 3.09Å; A504-N506 VanDerWaalsContact C-N 3.28Å; A504-N506 PolarHBondContact O-N 3.21Å
507	L	78.2	Confident	78	Confident	15 Å²	15	47 Å²	47	8%	0.079	25%	0.249	C	C	.	.	S	Bend	trans	-80.2	127.6	-176.2	-60.6	174.2	0	0	0	110.8	T475 L478 L500 A504 K509 L512 I516	T475-L507 HydrophobicContact CG2-CD2 3.74Å; L478-L507 HydrophobicContact CD2-CD1 3.71Å; L478-L507 HydrophobicContact CD2-CD2 4.01Å; L500-L507 HydrophobicContact CD1-CD1 4.11Å; A504-L507 PolarHBondContact O-N 3.47Å; L507-K509 PolarHBondContact O-N 3.42Å; L507-L512 HydrophobicContact CB-CB 4.27Å; L507-L512 HydrophobicContact CD1-CD1 3.98Å; L507-I516 HydrophobicContact CD1-CD1 3.93Å; L507-I516 HydrophobicContact CD2-CD1 4.34Å
508	S	77.8	Confident	77.7	Confident	56 Å²	56	50.1 Å²	50.1	39%	0.392	27%	0.269	S	S	.	.			trans	-63.6	137.2	175.2	75.3	0	0	0	0	111.2	P510 I511 L512	S508-P510 VanDerWaalsContact C-CD 3.41Å; S508-P510 VanDerWaalsContact C-N 3.35Å; S508-I511 PolarHBondContact O-N 3.34Å; S508-I511 VanDerWaalsContact O-N 3.08Å; S508-I511 VanDerWaalsContact OG-CD1 3.3Å; S508-I511 WeakPolarHBondContact OG-CD1 3.46Å; S508-I511 VanDerWaalsContact OG-CG1 3.32Å; S508-I511 WeakPolarHBondContact OG-CG1 3.27Å; S508-L512 WeakPolarHBondContact O-CB 3.48Å; S508-L512 PolarHBondContact O-N 3.12Å
509	K	75.4	Confident	77.5	Confident	111 Å²	111	48 Å²	48	48%	0.483	26%	0.262	S	S	.	.	H	α-helix	trans	-49.2	-44.2	-180	-61.8	-169.9	175.7	-158.8	0	114.5	L507 I511 L512 Y513 D581	L507-K509 PolarHBondContact O-N 3.42Å; K509-I511 VanDerWaalsContact C-N 3.32Å; K509-I511 PolarHBondContact O-N 3.43Å; K509-L512 PolarHBondContact O-N 3.22Å; K509-Y513 HydrophobicContact CB-CD2 4.08Å; K509-Y513 HydrophobicContact CB-CE2 4.25Å; K509-Y513 HydrophobicContact CG-CE2 4.22Å; K509-Y513 WeakPolarHBondContact O-CD2 3.18Å; K509-Y513 PolarHBondContact O-N 2.66Å; K509-D581 VanDerWaalsContact CE-OD2 3.29Å; K509-D581 WeakPolarHBondContact CE-OD2 3.48Å; K509-D581 IonicContact NZ-OD1 3.2Å; K509-D581 PolarHBondContact NZ-OD1 2.97Å; K509-D581 IonicContact NZ-OD2 2.65Å; K509-D581 PolarHBondContact NZ-OD2 3.16Å
510	P	70.7	Confident	77.3	Confident	101 Å²	101	47 Å²	47	66%	0.656	26%	0.256	S	S	*	.	H	α-helix	trans	-64.6	-34.5	-178.8	-22.4	34.7	0	0	0	113.6	S508 G514	S508-P510 VanDerWaalsContact C-CD 3.41Å; S508-P510 VanDerWaalsContact C-N 3.35Å; P510-G514 WeakPolarHBondContact O-CA 3.29Å; P510-G514 PolarHBondContact O-N 2.73Å; P510-G514 VanDerWaalsContact O-N 3.09Å
511	I	74.2	Confident	77.1	Confident	19 Å²	19	47.3 Å²	47.3	10%	0.097	26%	0.258	C	S	.	.	H	α-helix	trans	-76.5	-45	177.3	-64.3	174.4	0	0	0	109.7	M173 T475 L479 S508 K509 R515 I516	M173-I511 HydrophobicContact CB-CD1 3.85Å; M173-I511 HydrophobicContact CG-CD1 3.73Å; T475-I511 HydrophobicContact CG2-CD1 4.37Å; T475-I511 HydrophobicContact CG2-CG2 4.42Å; L479-I511 HydrophobicContact CD1-CG2 3.79Å; L479-I511 HydrophobicContact CD2-CG2 3.98Å; L479-I511 HydrophobicContact CG-CG2 4.3Å; S508-I511 PolarHBondContact O-N 3.34Å; S508-I511 VanDerWaalsContact O-N 3.08Å; S508-I511 VanDerWaalsContact OG-CD1 3.3Å; S508-I511 WeakPolarHBondContact OG-CD1 3.46Å; S508-I511 VanDerWaalsContact OG-CG1 3.32Å; S508-I511 WeakPolarHBondContact OG-CG1 3.27Å; K509-I511 VanDerWaalsContact C-N 3.32Å; K509-I511 PolarHBondContact O-N 3.43Å; I511-R515 WeakPolarHBondContact O-CA 3.44Å; I511-R515 WeakPolarHBondContact O-CB 3.25Å; I511-R515 PolarHBondContact O-N 2.65Å; I511-I516 HydrophobicContact CG2-CD1 3.89Å; I511-I516 HydrophobicContact CG2-CG1 4.24Å; I511-I516 PolarHBondContact O-N 3.17Å
512	L	77.8	Confident	77.1	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.042	27%	0.266	C	S	.	.	I	π-helix	trans	-61	-59.7	-177.1	175.9	62.5	0	0	0	111.7	L507 S508 K509 I516 M517 L573	L507-L512 HydrophobicContact CB-CB 4.27Å; L507-L512 HydrophobicContact CD1-CD1 3.98Å; S508-L512 WeakPolarHBondContact O-CB 3.48Å; S508-L512 PolarHBondContact O-N 3.12Å; K509-L512 PolarHBondContact O-N 3.22Å; L512-I516 HydrophobicContact CD1-CB 4.44Å; L512-I516 HydrophobicContact CD1-CG2 4.42Å; L512-I516 WeakPolarHBondContact O-CB 3.47Å; L512-I516 PolarHBondContact O-N 2.89Å; L512-M517 WeakPolarHBondContact O-CB 3.38Å; L512-M517 PolarHBondContact O-N 3.49Å; L512-L573 HydrophobicContact CD1-CD1 3.49Å; L512-L573 VanDerWaalsContact CD1-CD1 3.49Å; L512-L573 HydrophobicContact CD1-CD2 4.13Å; L512-L573 HydrophobicContact CD1-CG 4.46Å; L512-L573 HydrophobicContact CD2-CD1 3.54Å; L512-L573 HydrophobicContact CG-CD1 4Å
513	Y	77.5	Confident	76.9	Confident	12 Å²	12	44 Å²	44	5%	0.047	24%	0.239	C	C	.	.	I	π-helix	trans	-82	-28.5	-177.3	-58.5	-63.1	0	0	0	112.7	Y22 K509 P518 C577 D581 Y585 I586	Y22-Y513 WeakPolarHBondContact CE2-O 3.43Å; Y22-Y513 WeakPolarHBondContact OH-CB 3.47Å; K509-Y513 HydrophobicContact CB-CD2 4.08Å; K509-Y513 HydrophobicContact CB-CE2 4.25Å; K509-Y513 HydrophobicContact CG-CE2 4.22Å; K509-Y513 WeakPolarHBondContact O-CD2 3.18Å; K509-Y513 PolarHBondContact O-N 2.66Å; Y513-P518 WeakPolarHBondContact O-CD 3.34Å; Y513-C577 WeakPolarHBondContact OH-CB 3.18Å; Y513-D581 HydrophobicContact CE2-CB 3.86Å; Y513-D581 VanDerWaalsContact OH-CB 3.32Å; Y513-D581 WeakPolarHBondContact OH-CB 3.4Å; Y513-Y585 AromaticContact CD1-CD2 3.93Å; Y513-Y585 HydrophobicContact CD1-CD2 3.93Å; Y513-Y585 HydrophobicContact CD1-CG 4.04Å; Y513-Y585 AromaticContact CD2-CD2 3.83Å; Y513-Y585 HydrophobicContact CD2-CD2 3.83Å; Y513-Y585 HydrophobicContact CD2-CE2 4.18Å; Y513-Y585 HydrophobicContact CE1-CD2 4.33Å; Y513-Y585 HydrophobicContact CE2-CD2 4.24Å; Y513-Y585 AromaticContact CG-CD2 3.67Å; Y513-Y585 HydrophobicContact CG-CD2 3.67Å; Y513-Y585 HydrophobicContact CG-CE2 4.32Å; Y513-Y585 HydrophobicContact CG-CG 4.01Å; Y513-I586 HydrophobicContact CE1-CD1 3.95Å; Y513-I586 HydrophobicContact CE1-CG1 3.96Å
514	G	70.6	Confident	76.9	Confident	25 Å²	25	41.9 Å²	41.9	26%	0.258	23%	0.228	S	C	.	.	I	π-helix	trans	-82.3	-24.8	-178.7	0	0	0	0	0	115.3	P510	P510-G514 WeakPolarHBondContact O-CA 3.29Å; P510-G514 PolarHBondContact O-N 2.73Å; P510-G514 VanDerWaalsContact O-N 3.09Å
515	R	73.6	Confident	76.9	Confident	49 Å²	49	46 Å²	46	19%	0.185	24%	0.243	C	C	.	.	I	π-helix	trans	-131.2	-49	-177.3	-64	-169.8	-178.8	167.1	8.3	114.1	D174 N211 L479 I511 T519	D174-R515 IonicContact OD1-CZ 3.83Å; D174-R515 IonicContact OD1-NH1 3.94Å; D174-R515 PolarHBondContact OD1-NH1 3.44Å; D174-R515 IonicContact OD1-NH2 3.84Å; D174-R515 PolarHBondContact OD1-NH2 2.94Å; D174-R515 IonicContact OD2-NH2 3.36Å; N211-R515 VanDerWaalsContact CB-NH2 3.29Å; N211-R515 PolarHBondContact ND2-NH2 2.96Å; L479-R515 HydrophobicContact CD2-CB 4.49Å; I511-R515 WeakPolarHBondContact O-CA 3.44Å; I511-R515 WeakPolarHBondContact O-CB 3.25Å; I511-R515 PolarHBondContact O-N 2.65Å; R515-T519 WeakPolarHBondContact O-CB 3.41Å; R515-T519 PolarHBondContact O-N 2.94Å; R515-T519 PolarHBondContact O-OG1 3Å
516	I	80.4	Confident	76.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.225	C	C	.	.	I	π-helix	trans	-69.8	-53.7	-172.7	-64.7	171.6	0	0	0	110	L478 L479 I482 L500 L507 I511 L512 T519 L520	L478-I516 HydrophobicContact CD2-CD1 3.78Å; L478-I516 HydrophobicContact CG-CD1 4.44Å; L479-I516 HydrophobicContact CD2-CD1 4.08Å; L479-I516 HydrophobicContact CD2-CG1 3.59Å; I482-I516 HydrophobicContact CD1-CG2 4.2Å; L500-I516 HydrophobicContact CD1-CG2 4.47Å; L507-I516 HydrophobicContact CD1-CD1 3.93Å; L507-I516 HydrophobicContact CD2-CD1 4.34Å; I511-I516 HydrophobicContact CG2-CD1 3.89Å; I511-I516 HydrophobicContact CG2-CG1 4.24Å; I511-I516 PolarHBondContact O-N 3.17Å; L512-I516 HydrophobicContact CD1-CB 4.44Å; L512-I516 HydrophobicContact CD1-CG2 4.42Å; L512-I516 WeakPolarHBondContact O-CB 3.47Å; L512-I516 PolarHBondContact O-N 2.89Å; I516-T519 PolarHBondContact O-N 3.32Å; I516-T519 VanDerWaalsContact O-N 3.09Å; I516-L520 HydrophobicContact CG2-CD1 3.61Å; I516-L520 HydrophobicContact CG2-CG 3.95Å; I516-L520 WeakPolarHBondContact O-CG 3.37Å; I516-L520 PolarHBondContact O-N 2.95Å
517	M	80.3	Confident	76.5	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-50.4	-174.4	-169.2	64.9	-176.2	0	0	113	L512 T519 L520 I521 L570 L573 I586	L512-M517 WeakPolarHBondContact O-CB 3.38Å; L512-M517 PolarHBondContact O-N 3.49Å; M517-T519 PolarHBondContact O-N 2.86Å; M517-L520 PolarHBondContact O-N 2.93Å; M517-I521 HydrophobicContact CE-CD1 4Å; M517-I521 HydrophobicContact CE-CG1 4.1Å; M517-I521 HydrophobicContact CG-CD1 3.92Å; M517-I521 WeakPolarHBondContact O-CD1 3.29Å; M517-I521 VanDerWaalsContact O-CG1 3.31Å; M517-I521 WeakPolarHBondContact O-CG1 3.32Å; M517-I521 PolarHBondContact O-N 2.73Å; M517-I521 HydrophobicContact SD-CD1 4.5Å; M517-L570 HydrophobicContact CE-CD2 3.9Å; M517-L570 HydrophobicContact SD-CD2 3.65Å; M517-L573 HydrophobicContact SD-CD2 3.98Å; M517-I586 HydrophobicContact CE-CG1 4.47Å; M517-I586 HydrophobicContact CE-CG2 4.06Å
518	P	78	Confident	76.1	Confident	65 Å²	65	37 Å²	37	42%	0.422	20%	0.196	S	C	.	.	H	α-helix	trans	-58.9	-35.8	176.9	-24.1	35.1	0	0	0	112.9	Y513 Q522	Y513-P518 WeakPolarHBondContact O-CD 3.34Å; P518-Q522 WeakPolarHBondContact O-CB 3.46Å; P518-Q522 PolarHBondContact O-N 3.18Å; P518-Q522 VanDerWaalsContact O-N 3.11Å
519	T	78.2	Confident	75.6	Confident	46 Å²	46	37.9 Å²	37.9	28%	0.282	20%	0.2	S	C	.	.	H	α-helix	trans	-72.9	-39.4	179.4	-46.4	0	0	0	0	111.5	I482 R515 I516 M517 I521 Q522 L523	I482-T519 HydrophobicContact CG2-CG2 3.36Å; R515-T519 WeakPolarHBondContact O-CB 3.41Å; R515-T519 PolarHBondContact O-N 2.94Å; R515-T519 PolarHBondContact O-OG1 3Å; I516-T519 PolarHBondContact O-N 3.32Å; I516-T519 VanDerWaalsContact O-N 3.09Å; M517-T519 PolarHBondContact O-N 2.86Å; T519-I521 PolarHBondContact O-N 3.14Å; T519-Q522 PolarHBondContact O-N 3.22Å; T519-L523 HydrophobicContact CG2-CD1 4.24Å; T519-L523 HydrophobicContact CG2-CG 4.48Å; T519-L523 WeakPolarHBondContact O-CB 3.48Å; T519-L523 VanDerWaalsContact O-CG 3.24Å; T519-L523 WeakPolarHBondContact O-CG 3.32Å; T519-L523 PolarHBondContact O-N 3.37Å
520	L	80.5	Confident	75	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-42.1	174.9	-70.1	176.5	0	0	0	112.1	I482 L497 L500 I516 M517 Q522 L523 H524 L566 L570	I482-L520 HydrophobicContact CD1-CD2 3.72Å; I482-L520 HydrophobicContact CD1-CG 4.39Å; I482-L520 HydrophobicContact CG1-CD2 4.45Å; L497-L520 HydrophobicContact CD2-CD2 4.35Å; L500-L520 HydrophobicContact CD2-CD1 3.51Å; L500-L520 HydrophobicContact CD2-CD2 4.04Å; L500-L520 HydrophobicContact CD2-CG 4.44Å; I516-L520 HydrophobicContact CG2-CD1 3.61Å; I516-L520 HydrophobicContact CG2-CG 3.95Å; I516-L520 WeakPolarHBondContact O-CG 3.37Å; I516-L520 PolarHBondContact O-N 2.95Å; M517-L520 PolarHBondContact O-N 2.93Å; L520-Q522 VanDerWaalsContact C-N 3.34Å; L520-L523 PolarHBondContact O-N 3.16Å; L520-H524 PolarHBondContact O-N 2.98Å; L520-L566 HydrophobicContact CD2-CD1 4.26Å; L520-L566 HydrophobicContact CD2-CG 4.27Å; L520-L570 HydrophobicContact CB-CD2 4.43Å; L520-L570 HydrophobicContact CD1-CD2 3.87Å
521	I	78	Confident	74.3	Confident	9 Å²	9	35.1 Å²	35.1	5%	0.046	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-43.6	177.5	-63.9	154.3	0	0	0	110.5	M517 T519 L523 H524 R525 D589	M517-I521 HydrophobicContact CE-CD1 4Å; M517-I521 HydrophobicContact CE-CG1 4.1Å; M517-I521 HydrophobicContact CG-CD1 3.92Å; M517-I521 WeakPolarHBondContact O-CD1 3.29Å; M517-I521 VanDerWaalsContact O-CG1 3.31Å; M517-I521 WeakPolarHBondContact O-CG1 3.32Å; M517-I521 PolarHBondContact O-N 2.73Å; M517-I521 HydrophobicContact SD-CD1 4.5Å; T519-I521 PolarHBondContact O-N 3.14Å; I521-L523 VanDerWaalsContact C-N 3.34Å; I521-H524 PolarHBondContact O-N 3.4Å; I521-R525 WeakPolarHBondContact O-CG 3.25Å; I521-R525 PolarHBondContact O-N 2.97Å; I521-R525 VanDerWaalsContact O-N 3.11Å; I521-D589 HydrophobicContact CD1-CB 3.45Å; I521-D589 VanDerWaalsContact CD1-CB 3.45Å; I521-D589 WeakPolarHBondContact CD1-OD2 3.32Å; I521-D589 HydrophobicContact CG1-CB 3.9Å
522	Q	78.9	Confident	73.1	Confident	91 Å²	91	39 Å²	39	43%	0.425	19%	0.191	S	C	.	.	H	α-helix	trans	-62	-43.6	175.7	179.9	59.2	23.6	0	0	111.2	P518 T519 L520 R525 E526	P518-Q522 WeakPolarHBondContact O-CB 3.46Å; P518-Q522 PolarHBondContact O-N 3.18Å; P518-Q522 VanDerWaalsContact O-N 3.11Å; T519-Q522 PolarHBondContact O-N 3.22Å; L520-Q522 VanDerWaalsContact C-N 3.34Å; Q522-R525 PolarHBondContact O-N 2.76Å; Q522-E526 WeakPolarHBondContact CG-OE1 3.4Å; Q522-E526 PolarHBondContact NE2-OE1 3.4Å; Q522-E526 WeakPolarHBondContact O-CG 3.42Å; Q522-E526 PolarHBondContact O-N 3.35Å
523	L	78.4	Confident	71.7	Confident	9 Å²	9	43.5 Å²	43.5	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-44	177.1	-76.7	169.9	0	0	0	112.4	I482 F485 T519 L520 I521 R525 E526 L527 L566	I482-L523 HydrophobicContact CG2-CD1 3.95Å; F485-L523 HydrophobicContact CB-CD1 4.29Å; F485-L523 HydrophobicContact CB-CD2 3.72Å; F485-L523 HydrophobicContact CD1-CD2 3.49Å; F485-L523 VanDerWaalsContact CD1-CD2 3.49Å; F485-L523 HydrophobicContact CD2-CD1 4.25Å; F485-L523 HydrophobicContact CE1-CD2 4.16Å; F485-L523 HydrophobicContact CG-CD1 4.17Å; F485-L523 HydrophobicContact CG-CD2 3.68Å; T519-L523 HydrophobicContact CG2-CD1 4.24Å; T519-L523 HydrophobicContact CG2-CG 4.48Å; T519-L523 WeakPolarHBondContact O-CB 3.48Å; T519-L523 VanDerWaalsContact O-CG 3.24Å; T519-L523 WeakPolarHBondContact O-CG 3.32Å; T519-L523 PolarHBondContact O-N 3.37Å; L520-L523 PolarHBondContact O-N 3.16Å; I521-L523 VanDerWaalsContact C-N 3.34Å; L523-R525 VanDerWaalsContact C-N 3.34Å; L523-R525 PolarHBondContact O-N 2.7Å; L523-E526 PolarHBondContact O-N 3.36Å; L523-L527 WeakPolarHBondContact O-CB 3.32Å; L523-L527 VanDerWaalsContact O-CG 3.31Å; L523-L527 WeakPolarHBondContact O-CG 3.45Å; L523-L527 PolarHBondContact O-N 3.43Å; L523-L566 HydrophobicContact CB-CD1 3.94Å
524	H	78.1	Confident	70	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-46.6	175.5	178.5	66.5	0	0	0	111.4	L520 I521 E526 L527 E528 D563 L566	L520-H524 PolarHBondContact O-N 2.98Å; I521-H524 PolarHBondContact O-N 3.4Å; H524-E526 VanDerWaalsContact C-N 3.32Å; H524-E526 PolarHBondContact O-N 2.78Å; H524-L527 PolarHBondContact O-N 3.26Å; H524-E528 WeakPolarHBondContact O-CB 3.4Å; H524-E528 PolarHBondContact O-N 3.17Å; H524-D563 IonicContact CE1-OD1 3.64Å; H524-D563 PolarHBondContact CE1-OD1 3.38Å; H524-D563 IonicContact CE1-OD2 2.78Å; H524-D563 IonicContact CG-OD1 2.71Å; H524-D563 IonicContact ND1-OD1 2.95Å; H524-D563 PolarHBondContact ND1-OD1 3.01Å; H524-D563 IonicContact ND1-OD2 3.24Å; H524-L566 HydrophobicContact CB-CD1 4.35Å; H524-L566 HydrophobicContact CB-CD2 3.97Å
525	R	74.1	Confident	68.6	Low	91 Å²	91	50 Å²	50	34%	0.343	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-39.7	175.7	-68.7	176.1	-170.9	173.6	7	112.2	I521 Q522 L523 T529 D589 N592	I521-R525 WeakPolarHBondContact O-CG 3.25Å; I521-R525 PolarHBondContact O-N 2.97Å; I521-R525 VanDerWaalsContact O-N 3.11Å; Q522-R525 PolarHBondContact O-N 2.76Å; L523-R525 VanDerWaalsContact C-N 3.34Å; L523-R525 PolarHBondContact O-N 2.7Å; R525-T529 WeakPolarHBondContact O-CB 3.44Å; R525-T529 VanDerWaalsContact O-CG2 3.27Å; R525-T529 WeakPolarHBondContact O-CG2 3.38Å; R525-T529 PolarHBondContact O-N 2.66Å; R525-T529 PolarHBondContact O-OG1 3.34Å; R525-D589 IonicContact NH2-OD1 3.86Å; R525-N592 PolarHBondContact NH2-ND2 2.82Å
526	E	74.6	Confident	67	Low	48 Å²	48	51.9 Å²	51.9	22%	0.224	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-41.3	176.8	-75.4	178.7	-164.1	0	0	112.4	Q486 Q522 L523 H524 T529 R530	Q486-E526 PolarHBondContact NE2-OE2 3.02Å; Q522-E526 WeakPolarHBondContact CG-OE1 3.4Å; Q522-E526 PolarHBondContact NE2-OE1 3.4Å; Q522-E526 WeakPolarHBondContact O-CG 3.42Å; Q522-E526 PolarHBondContact O-N 3.35Å; L523-E526 PolarHBondContact O-N 3.36Å; H524-E526 VanDerWaalsContact C-N 3.32Å; H524-E526 PolarHBondContact O-N 2.78Å; E526-T529 WeakPolarHBondContact CA-OG1 3.3Å; E526-T529 PolarHBondContact O-OG1 2.72Å; E526-T529 VanDerWaalsContact O-OG1 3.06Å; E526-R530 WeakPolarHBondContact O-CB 3.49Å; E526-R530 VanDerWaalsContact O-CG 3.23Å; E526-R530 WeakPolarHBondContact O-CG 3.34Å; E526-R530 PolarHBondContact O-N 3.22Å; E526-R530 VanDerWaalsContact O-N 3.09Å
527	L	72.2	Confident	65	Low	7 Å²	7	56 Å²	56	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-41.7	177.1	-70.1	174.1	0	0	0	111.1	L523 H524 R530 Q531 C559 L562 D563	L523-L527 WeakPolarHBondContact O-CB 3.32Å; L523-L527 VanDerWaalsContact O-CG 3.31Å; L523-L527 WeakPolarHBondContact O-CG 3.45Å; L523-L527 PolarHBondContact O-N 3.43Å; H524-L527 PolarHBondContact O-N 3.26Å; L527-R530 PolarHBondContact O-N 2.86Å; L527-Q531 VanDerWaalsContact O-CG 3.31Å; L527-Q531 WeakPolarHBondContact O-CG 3.45Å; L527-Q531 PolarHBondContact O-N 3.33Å; L527-Q531 VanDerWaalsContact O-N 3.17Å; L527-C559 HydrophobicContact CD2-CB 4.34Å; L527-L562 HydrophobicContact CD1-CB 4.21Å; L527-D563 HydrophobicContact CD1-CB 4.26Å
528	E	67.8	Low	63	Low	20 Å²	20	59 Å²	59	9%	0.093	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-44.5	177.9	-172.1	171.8	-144.8	0	0	112.4	H524 R530 Q531 F532 K596 S597 S598	H524-E528 WeakPolarHBondContact O-CB 3.4Å; H524-E528 PolarHBondContact O-N 3.17Å; E528-R530 VanDerWaalsContact C-N 3.3Å; E528-R530 PolarHBondContact O-N 3.41Å; E528-Q531 WeakPolarHBondContact O-CB 3.44Å; E528-Q531 PolarHBondContact O-N 3.48Å; E528-Q531 VanDerWaalsContact O-N 3.11Å; E528-F532 PolarHBondContact O-N 3.03Å; E528-K596 VanDerWaalsContact OE1-C 3.24Å; E528-K596 WeakPolarHBondContact OE2-CB 3.24Å; E528-S597 WeakPolarHBondContact OE1-CA 3.43Å; E528-S598 PolarHBondContact OE1-N 3.37Å
529	T	68.3	Low	61.2	Low	76 Å²	76	65.4 Å²	65.4	47%	0.466	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-34	177.2	50.7	0	0	0	0	112.7	R525 E526 Q531 F532 N533	R525-T529 WeakPolarHBondContact O-CB 3.44Å; R525-T529 VanDerWaalsContact O-CG2 3.27Å; R525-T529 WeakPolarHBondContact O-CG2 3.38Å; R525-T529 PolarHBondContact O-N 2.66Å; R525-T529 PolarHBondContact O-OG1 3.34Å; E526-T529 WeakPolarHBondContact CA-OG1 3.3Å; E526-T529 PolarHBondContact O-OG1 2.72Å; E526-T529 VanDerWaalsContact O-OG1 3.06Å; T529-Q531 VanDerWaalsContact C-N 3.32Å; T529-F532 PolarHBondContact O-N 2.97Å; T529-N533 WeakPolarHBondContact O-CB 3.26Å; T529-N533 PolarHBondContact O-N 3.29Å; T529-N533 PolarHBondContact O-ND2 3.35Å
530	R	62.1	Low	59.4	Low	128 Å²	128	69.4 Å²	69.4	48%	0.483	33%	0.326	S	S	.	.	H	α-helix	trans	-67.1	-32.3	173.3	-74.7	179.7	-171	-153.6	4.7	112.6	E526 L527 E528	E526-R530 WeakPolarHBondContact O-CB 3.49Å; E526-R530 VanDerWaalsContact O-CG 3.23Å; E526-R530 WeakPolarHBondContact O-CG 3.34Å; E526-R530 PolarHBondContact O-N 3.22Å; E526-R530 VanDerWaalsContact O-N 3.09Å; L527-R530 PolarHBondContact O-N 2.86Å; E528-R530 VanDerWaalsContact C-N 3.3Å; E528-R530 PolarHBondContact O-N 3.41Å
531	Q	57	Low	57.2	Low	25 Å²	25	73.5 Å²	73.5	12%	0.117	35%	0.351	C	S	.	.	H	α-helix	trans	-68.9	-37.7	172.1	-66.9	170	16.8	0	0	111.4	L527 E528 T529 I560 N599	L527-Q531 VanDerWaalsContact O-CG 3.31Å; L527-Q531 WeakPolarHBondContact O-CG 3.45Å; L527-Q531 PolarHBondContact O-N 3.33Å; L527-Q531 VanDerWaalsContact O-N 3.17Å; E528-Q531 WeakPolarHBondContact O-CB 3.44Å; E528-Q531 PolarHBondContact O-N 3.48Å; E528-Q531 VanDerWaalsContact O-N 3.11Å; T529-Q531 VanDerWaalsContact C-N 3.32Å; Q531-I560 HydrophobicContact CG-CG1 4.44Å; Q531-N599 PolarHBondContact OE1-ND2 2.82Å
532	F	49.1	Very low	55.1	Low	102 Å²	102	78.3 Å²	78.3	45%	0.447	38%	0.381	S	S	.	.	H	α-helix	trans	-77.4	-39.3	-176.2	-147.1	-84.9	0	0	0	114	E528 T529 K534 Q535 I536	E528-F532 PolarHBondContact O-N 3.03Å; T529-F532 PolarHBondContact O-N 2.97Å; F532-K534 PolarHBondContact O-N 2.9Å; F532-Q535 PolarHBondContact O-N 2.63Å; F532-Q535 VanDerWaalsContact O-N 3.12Å; F532-I536 HydrophobicContact CD1-CD1 4.24Å; F532-I536 HydrophobicContact CE1-CD1 4.3Å
533	N	48	Very low	52.9	Low	102 Å²	102	82.2 Å²	82.2	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-63.8	-12.7	-174	-80.4	-22.1	0	0	0	114.6	T529 N537	T529-N533 WeakPolarHBondContact O-CB 3.26Å; T529-N533 PolarHBondContact O-N 3.29Å; T529-N533 PolarHBondContact O-ND2 3.35Å; N533-N537 PolarHBondContact O-ND2 3.2Å
534	K	42.2	Very low	50.6	Low	53 Å²	53	88.5 Å²	88.5	23%	0.23	43%	0.434	C	S	.	.	H	α-helix	trans	-90.8	-34.2	172.9	-109.4	-174.7	172.4	-174.1	0	114.1	F532 I536 N537 D538 Q552 E556	F532-K534 PolarHBondContact O-N 2.9Å; K534-I536 PolarHBondContact O-N 3.48Å; K534-I536 VanDerWaalsContact O-N 3.1Å; K534-N537 WeakPolarHBondContact O-CA 3.49Å; K534-N537 PolarHBondContact O-N 2.78Å; K534-D538 PolarHBondContact O-N 3.3Å; K534-Q552 PolarHBondContact NZ-O 3.42Å; K534-E556 WeakPolarHBondContact CD-OE1 3.5Å; K534-E556 IonicContact NZ-OE1 3.9Å; K534-E556 PolarHBondContact NZ-OE1 3.41Å
535	Q	41.1	Very low	48.3	Very low	120 Å²	120	94.6 Å²	94.6	56%	0.561	47%	0.472	S	S	*	.	H	α-helix	trans	-57	-32.2	177.4	-71.3	-173.4	-2.3	0	0	111.6	F532 Y539	F532-Q535 PolarHBondContact O-N 2.63Å; F532-Q535 VanDerWaalsContact O-N 3.12Å; Q535-Y539 WeakPolarHBondContact O-CD2 3.38Å
536	I	39.5	Very low	46.3	Very low	88 Å²	88	95.1 Å²	95.1	45%	0.451	49%	0.49	S	S	.	.	H	α-helix	trans	-72.8	-33.9	175.2	-60	174	0	0	0	112	F532 K534	F532-I536 HydrophobicContact CD1-CD1 4.24Å; F532-I536 HydrophobicContact CE1-CD1 4.3Å; K534-I536 PolarHBondContact O-N 3.48Å; K534-I536 VanDerWaalsContact O-N 3.1Å
537	N	39.7	Very low	44.2	Very low	87 Å²	87	101.4 Å²	101.4	47%	0.465	52%	0.518	S	S	.	.	H	α-helix	trans	-76.9	-29.3	179.4	-69.7	-22.9	0	0	0	112.5	N533 K534 Y539 N540 T541	N533-N537 PolarHBondContact O-ND2 3.2Å; K534-N537 WeakPolarHBondContact O-CA 3.49Å; K534-N537 PolarHBondContact O-N 2.78Å; N537-Y539 VanDerWaalsContact C-N 3.31Å; N537-Y539 PolarHBondContact O-N 3.23Å; N537-N540 PolarHBondContact O-N 3.14Å; N537-N540 VanDerWaalsContact O-N 3.17Å; N537-T541 WeakPolarHBondContact O-CB 3.41Å; N537-T541 PolarHBondContact O-N 3.4Å; N537-T541 PolarHBondContact O-OG1 3.23Å
538	D	37.1	Very low	42.2	Very low	71 Å²	71	108.4 Å²	108.4	38%	0.38	55%	0.549	S	S	.	.	H	α-helix	trans	-66.5	-34.6	174	-71	-23.4	0	0	0	111.7	K534 N540 T541 T542	K534-D538 PolarHBondContact O-N 3.3Å; D538-N540 VanDerWaalsContact C-N 3.29Å; D538-N540 PolarHBondContact O-N 3.29Å; D538-T541 PolarHBondContact O-N 3.13Å; D538-T542 WeakPolarHBondContact O-CG2 3.49Å; D538-T542 PolarHBondContact O-N 2.84Å; D538-T542 PolarHBondContact O-OG1 2.92Å
539	Y	41.1	Very low	40.4	Very low	198 Å²	198	112.6 Å²	112.6	78%	0.776	57%	0.572	S	S	*	*	H	α-helix	trans	-66.4	-29.9	172.4	-90.1	-78.2	0	0	0	113.3	Q535 N537 T542	Q535-Y539 WeakPolarHBondContact O-CD2 3.38Å; N537-Y539 VanDerWaalsContact C-N 3.31Å; N537-Y539 PolarHBondContact O-N 3.23Å; Y539-T542 PolarHBondContact O-OG1 3.1Å
540	N	40.6	Very low	38.8	Very low	131 Å²	131	116.1 Å²	116.1	70%	0.701	59%	0.586	S	S	*	*	H	α-helix	trans	-89.7	-14.3	179.5	-71.8	-24.2	0	0	0	113.9	N537 D538	N537-N540 PolarHBondContact O-N 3.14Å; N537-N540 VanDerWaalsContact O-N 3.17Å; D538-N540 VanDerWaalsContact C-N 3.29Å; D538-N540 PolarHBondContact O-N 3.29Å
541	T	33.2	Very low	37.4	Very low	85 Å²	85	113.7 Å²	113.7	52%	0.521	59%	0.589	S	S	.	*	H	α-helix	trans	-110.1	3.4	-174.3	-35.4	0	0	0	0	113.6	N537 D538 M543 L544	N537-T541 WeakPolarHBondContact O-CB 3.41Å; N537-T541 PolarHBondContact O-N 3.4Å; N537-T541 PolarHBondContact O-OG1 3.23Å; D538-T541 PolarHBondContact O-N 3.13Å; T541-M543 PolarHBondContact O-N 2.9Å; T541-L544 PolarHBondContact O-N 3.45Å
542	T	34.3	Very low	36.3	Very low	111 Å²	111	116.8 Å²	116.8	68%	0.681	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	7.6	176.8	31.2	0	0	0	0	115.2	D538 Y539	D538-T542 WeakPolarHBondContact O-CG2 3.49Å; D538-T542 PolarHBondContact O-N 2.84Å; D538-T542 PolarHBondContact O-OG1 2.92Å; Y539-T542 PolarHBondContact O-OG1 3.1Å
543	M	32.6	Very low	35.3	Very low	173 Å²	173	117.1 Å²	117.1	85%	0.852	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	2.6	175.7	-83.7	-70.1	161.2	0	0	116.3	T541	T541-M543 PolarHBondContact O-N 2.9Å
544	L	29.9	Very low	35.2	Very low	141 Å²	141	114.8 Å²	114.8	74%	0.738	60%	0.601	S	S	*	*	S	Bend	trans	-137.1	99	175.7	-71.2	171.5	0	0	0	113.2	T541	T541-L544 PolarHBondContact O-N 3.45Å
545	T	30	Very low	35.9	Very low	129 Å²	129	116.8 Å²	116.8	79%	0.791	61%	0.614	S	S	*	*			trans	48.8	119.3	146.2	55.3	0	0	0	0	119.7	H547	T545-H547 PolarHBondContact O-N 3.26Å; T545-H547 VanDerWaalsContact O-N 3.08Å
546	S	33.1	Very low	36.7	Very low	103 Å²	103	114.3 Å²	114.3	72%	0.72	60%	0.603	S	S	*	*	S	Bend	trans	-47.4	95.1	172.9	54.5	0	0	0	0	115.6
547	H	29.5	Very low	37.9	Very low	179 Å²	179	116.3 Å²	116.3	83%	0.829	61%	0.61	S	S	*	*			trans	-148.8	70.1	147.4	-76.2	-45.7	0	0	0	108.5	T545 N549	T545-H547 PolarHBondContact O-N 3.26Å; T545-H547 VanDerWaalsContact O-N 3.08Å; H547-N549 PolarHBondContact O-N 2.8Å
548	F	29.8	Very low	39.3	Very low	155 Å²	155	114.3 Å²	114.3	68%	0.68	60%	0.599	S	S	*	*			trans	-69.9	112.2	171.8	-93.6	-88.7	0	0	0	109.2	I550	F548-I550 PolarHBondContact O-N 2.96Å
549	N	31.1	Very low	40.9	Very low	108 Å²	108	111.9 Å²	111.9	58%	0.578	59%	0.587	S	S	*	*			trans	-67.1	121.4	177	-81.5	-40.6	0	0	0	110.7	H547 S551 Q552	H547-N549 PolarHBondContact O-N 2.8Å; N549-S551 PolarHBondContact O-N 2.96Å; N549-Q552 PolarHBondContact O-N 3.16Å
550	I	33.4	Very low	42.2	Very low	149 Å²	149	103.8 Å²	103.8	76%	0.764	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-27.6	176.4	-66.6	168.4	0	0	0	112.5	F548 Q552 L553	F548-I550 PolarHBondContact O-N 2.96Å; I550-Q552 PolarHBondContact O-N 2.87Å; I550-L553 PolarHBondContact O-N 3.06Å
551	S	34.4	Very low	43.9	Very low	77 Å²	77	101.3 Å²	101.3	54%	0.538	54%	0.544	S	S	.	.	H	α-helix	trans	-66.7	-16.3	177.6	61.2	0	0	0	0	115	N549 S554 N555	N549-S551 PolarHBondContact O-N 2.96Å; S551-S554 PolarHBondContact O-OG 3.01Å; S551-S554 VanDerWaalsContact O-OG 3.11Å; S551-N555 PolarHBondContact O-ND2 3.27Å
552	Q	32.2	Very low	45.9	Very low	91 Å²	91	97.3 Å²	97.3	43%	0.425	52%	0.519	S	S	.	.	H	α-helix	trans	-90.4	-25.4	179.7	-73.8	-165	5.1	0	0	113.8	K534 N549 I550	K534-Q552 PolarHBondContact NZ-O 3.42Å; N549-Q552 PolarHBondContact O-N 3.16Å; I550-Q552 PolarHBondContact O-N 2.87Å
553	L	29.6	Very low	47.9	Very low	109 Å²	109	92.1 Å²	92.1	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-73.2	-39	177	-81.7	151.6	0	0	0	111.2	I550 N555 E556	I550-L553 PolarHBondContact O-N 3.06Å; L553-N555 VanDerWaalsContact C-N 3.28Å; L553-N555 PolarHBondContact O-N 3.43Å; L553-E556 PolarHBondContact O-N 3.23Å
554	S	44.7	Very low	50.2	Low	53 Å²	53	84.9 Å²	84.9	37%	0.371	45%	0.454	S	S	.	.	H	α-helix	trans	-58	-39.6	178.3	58.4	0	0	0	0	112.7	S551 E556 E557 I558	S551-S554 PolarHBondContact O-OG 3.01Å; S551-S554 VanDerWaalsContact O-OG 3.11Å; S554-E556 VanDerWaalsContact C-N 3.3Å; S554-E556 PolarHBondContact O-N 3.11Å; S554-E557 PolarHBondContact O-N 3.45Å; S554-I558 VanDerWaalsContact O-CD1 3.27Å; S554-I558 WeakPolarHBondContact O-CD1 3.38Å; S554-I558 VanDerWaalsContact O-CG1 3.23Å; S554-I558 WeakPolarHBondContact O-CG1 3.44Å; S554-I558 PolarHBondContact O-N 3.26Å; S554-I558 VanDerWaalsContact O-N 3.13Å
555	N	57.9	Low	52.6	Low	94 Å²	94	80.1 Å²	80.1	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-31.1	-178.2	-76.5	-28.7	0	0	0	113.7	S551 L553 C559	S551-N555 PolarHBondContact O-ND2 3.27Å; L553-N555 VanDerWaalsContact C-N 3.28Å; L553-N555 PolarHBondContact O-N 3.43Å; N555-C559 PolarHBondContact O-N 2.61Å; N555-C559 VanDerWaalsContact O-N 3.1Å; N555-C559 PolarHBondContact O-SG 2.99Å
556	E	57.2	Low	55	Low	68 Å²	68	74 Å²	74	32%	0.318	39%	0.391	S	S	.	.	H	α-helix	trans	-73	-46.3	178.7	-79.2	171.9	-147.2	0	0	111.6	K534 L553 S554 I558 C559 I560	K534-E556 WeakPolarHBondContact CD-OE1 3.5Å; K534-E556 IonicContact NZ-OE1 3.9Å; K534-E556 PolarHBondContact NZ-OE1 3.41Å; L553-E556 PolarHBondContact O-N 3.23Å; S554-E556 VanDerWaalsContact C-N 3.3Å; S554-E556 PolarHBondContact O-N 3.11Å; E556-I558 VanDerWaalsContact C-N 3.27Å; E556-I558 PolarHBondContact O-N 3.26Å; E556-C559 PolarHBondContact O-N 3.24Å; E556-C559 VanDerWaalsContact O-N 3.13Å; E556-I560 VanDerWaalsContact O-CG1 3.24Å; E556-I560 WeakPolarHBondContact O-CG1 3.41Å; E556-I560 PolarHBondContact O-N 3.1Å
557	E	65.2	Low	57.3	Low	131 Å²	131	69.2 Å²	69.2	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-59.9	-41	177	-69.1	-171.4	159.9	0	0	111.5	S554 I560 N561	S554-E557 PolarHBondContact O-N 3.45Å; E557-I560 PolarHBondContact O-N 3.5Å; E557-N561 WeakPolarHBondContact O-CB 3.42Å; E557-N561 PolarHBondContact O-N 2.92Å; E557-N561 PolarHBondContact O-ND2 2.95Å
558	I	69.7	Low	59.7	Low	45 Å²	45	61.2 Å²	61.2	23%	0.231	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-48.5	174.2	-66.1	159.1	0	0	0	110.5	D490 S554 E556 I560 N561 L562	D490-I558 WeakPolarHBondContact OD2-CD1 3.48Å; S554-I558 VanDerWaalsContact O-CD1 3.27Å; S554-I558 WeakPolarHBondContact O-CD1 3.38Å; S554-I558 VanDerWaalsContact O-CG1 3.23Å; S554-I558 WeakPolarHBondContact O-CG1 3.44Å; S554-I558 PolarHBondContact O-N 3.26Å; S554-I558 VanDerWaalsContact O-N 3.13Å; E556-I558 VanDerWaalsContact C-N 3.27Å; E556-I558 PolarHBondContact O-N 3.26Å; I558-I560 VanDerWaalsContact C-N 3.31Å; I558-I560 PolarHBondContact O-N 2.89Å; I558-N561 PolarHBondContact O-N 3.45Å; I558-L562 HydrophobicContact CG2-CD1 3.82Å; I558-L562 HydrophobicContact CG2-CG 4.36Å; I558-L562 WeakPolarHBondContact O-CB 3.37Å; I558-L562 VanDerWaalsContact O-CG 3.27Å; I558-L562 WeakPolarHBondContact O-CG 2.84Å; I558-L562 PolarHBondContact O-N 3.47Å
559	C	68.8	Low	62.2	Low	19 Å²	19	53.9 Å²	53.9	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-40.2	179.7	-71.3	0	0	0	0	112.2	L527 N555 E556 D563	L527-C559 HydrophobicContact CD2-CB 4.34Å; N555-C559 PolarHBondContact O-N 2.61Å; N555-C559 VanDerWaalsContact O-N 3.1Å; N555-C559 PolarHBondContact O-SG 2.99Å; E556-C559 PolarHBondContact O-N 3.24Å; E556-C559 VanDerWaalsContact O-N 3.13Å; C559-D563 WeakPolarHBondContact O-CB 3.03Å; C559-D563 PolarHBondContact O-N 3.49Å
560	I	69.2	Low	64.6	Low	29 Å²	29	49.1 Å²	49.1	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-72.5	-36.2	-179.2	-58.7	161.3	0	0	0	111.2	Q531 E556 E557 I558 D563 S564 K601	Q531-I560 HydrophobicContact CG-CG1 4.44Å; E556-I560 VanDerWaalsContact O-CG1 3.24Å; E556-I560 WeakPolarHBondContact O-CG1 3.41Å; E556-I560 PolarHBondContact O-N 3.1Å; E557-I560 PolarHBondContact O-N 3.5Å; I558-I560 VanDerWaalsContact C-N 3.31Å; I558-I560 PolarHBondContact O-N 2.89Å; I560-D563 PolarHBondContact O-N 3.28Å; I560-S564 WeakPolarHBondContact O-CB 3.26Å; I560-S564 PolarHBondContact O-N 3Å; I560-S564 PolarHBondContact O-OG 2.94Å; I560-K601 HydrophobicContact CG2-CB 3.7Å; I560-K601 HydrophobicContact CG2-CD 3.37Å; I560-K601 HydrophobicContact CG2-CG 3.51Å
561	N	75.4	Confident	67	Low	78 Å²	78	42 Å²	42	42%	0.417	23%	0.228	S	C	.	.	H	α-helix	trans	-66.6	-42.7	175.1	-71.2	-15.8	0	0	0	111.3	E557 I558 S564 L565 K601	E557-N561 WeakPolarHBondContact O-CB 3.42Å; E557-N561 PolarHBondContact O-N 2.92Å; E557-N561 PolarHBondContact O-ND2 2.95Å; I558-N561 PolarHBondContact O-N 3.45Å; N561-S564 PolarHBondContact O-N 2.95Å; N561-L565 WeakPolarHBondContact O-CG 3.45Å; N561-L565 PolarHBondContact O-N 3.33Å; N561-K601 PolarHBondContact OD1-NZ 2.81Å
562	L	75.9	Confident	69.2	Low	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-42.2	174.5	-70.5	170.4	0	0	0	111.9	F485 R493 T494 L497 L527 I558 S564 L565 L566	F485-L562 HydrophobicContact CE1-CD1 4.29Å; F485-L562 HydrophobicContact CZ-CB 4.47Å; F485-L562 HydrophobicContact CZ-CD1 4.03Å; F485-L562 HydrophobicContact CZ-CD2 4.15Å; F485-L562 HydrophobicContact CZ-CG 4.46Å; R493-L562 HydrophobicContact CB-CD2 3.95Å; T494-L562 HydrophobicContact CG2-CD2 3.79Å; L497-L562 HydrophobicContact CD1-CB 4.36Å; L497-L562 HydrophobicContact CD1-CD2 3.9Å; L497-L562 WeakPolarHBondContact CD1-O 3.26Å; L527-L562 HydrophobicContact CD1-CB 4.21Å; I558-L562 HydrophobicContact CG2-CD1 3.82Å; I558-L562 HydrophobicContact CG2-CG 4.36Å; I558-L562 WeakPolarHBondContact O-CB 3.37Å; I558-L562 VanDerWaalsContact O-CG 3.27Å; I558-L562 WeakPolarHBondContact O-CG 2.84Å; I558-L562 PolarHBondContact O-N 3.47Å; L562-S564 VanDerWaalsContact C-N 3.32Å; L562-S564 PolarHBondContact O-N 2.79Å; L562-L565 PolarHBondContact O-N 3.15Å; L562-L566 WeakPolarHBondContact O-CB 3.3Å; L562-L566 PolarHBondContact O-N 2.75Å
563	D	77.4	Confident	71.4	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-39.8	176.6	-168.2	47.5	0	0	0	111.9	H524 L527 C559 I560 L565 L566 I567 T602	H524-D563 IonicContact CE1-OD1 3.64Å; H524-D563 PolarHBondContact CE1-OD1 3.38Å; H524-D563 IonicContact CE1-OD2 2.78Å; H524-D563 IonicContact CG-OD1 2.71Å; H524-D563 IonicContact ND1-OD1 2.95Å; H524-D563 PolarHBondContact ND1-OD1 3.01Å; H524-D563 IonicContact ND1-OD2 3.24Å; L527-D563 HydrophobicContact CD1-CB 4.26Å; C559-D563 WeakPolarHBondContact O-CB 3.03Å; C559-D563 PolarHBondContact O-N 3.49Å; I560-D563 PolarHBondContact O-N 3.28Å; D563-L565 PolarHBondContact O-N 3.31Å; D563-L566 PolarHBondContact O-N 2.91Å; D563-I567 WeakPolarHBondContact O-CG1 3.37Å; D563-I567 PolarHBondContact O-N 3.45Å; D563-T602 WeakPolarHBondContact OD2-CG2 3.37Å; D563-T602 PolarHBondContact OD2-OG1 2.62Å
564	S	79.7	Confident	73.9	Confident	22 Å²	22	31.1 Å²	31.1	15%	0.154	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-41.1	175.7	-57.8	0	0	0	0	112.3	I560 N561 L562 I567 S568 C605	I560-S564 WeakPolarHBondContact O-CB 3.26Å; I560-S564 PolarHBondContact O-N 3Å; I560-S564 PolarHBondContact O-OG 2.94Å; N561-S564 PolarHBondContact O-N 2.95Å; L562-S564 VanDerWaalsContact C-N 3.32Å; L562-S564 PolarHBondContact O-N 2.79Å; S564-I567 PolarHBondContact O-N 2.98Å; S564-S568 PolarHBondContact O-N 3.21Å; S564-C605 PolarHBondContact O-SG 2.97Å
565	L	79.9	Confident	75.7	Confident	41 Å²	41	31.9 Å²	31.9	22%	0.215	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-39.6	175	-73.6	170.1	0	0	0	111.7	T494 L497 N561 L562 D563 S568 G569	T494-L565 HydrophobicContact CG2-CD1 4Å; L497-L565 HydrophobicContact CB-CB 3.95Å; L497-L565 HydrophobicContact CD1-CB 3.95Å; N561-L565 WeakPolarHBondContact O-CG 3.45Å; N561-L565 PolarHBondContact O-N 3.33Å; L562-L565 PolarHBondContact O-N 3.15Å; D563-L565 PolarHBondContact O-N 3.31Å; L565-S568 PolarHBondContact O-N 3.11Å; L565-G569 PolarHBondContact O-N 2.94Å
566	L	80.5	Confident	76.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-46.8	176	-173.3	154.9	0	0	0	110.7	L497 L520 L523 H524 L562 D563 S568 G569 L570	L497-L566 HydrophobicContact CD1-CB 4.42Å; L497-L566 HydrophobicContact CD2-CB 4.28Å; L520-L566 HydrophobicContact CD2-CD1 4.26Å; L520-L566 HydrophobicContact CD2-CG 4.27Å; L523-L566 HydrophobicContact CB-CD1 3.94Å; H524-L566 HydrophobicContact CB-CD1 4.35Å; H524-L566 HydrophobicContact CB-CD2 3.97Å; L562-L566 WeakPolarHBondContact O-CB 3.3Å; L562-L566 PolarHBondContact O-N 2.75Å; D563-L566 PolarHBondContact O-N 2.91Å; L566-S568 VanDerWaalsContact C-N 3.34Å; L566-S568 PolarHBondContact O-N 3.22Å; L566-G569 PolarHBondContact O-N 2.87Å; L566-L570 HydrophobicContact CD2-CD1 3.55Å; L566-L570 HydrophobicContact CD2-CG 4.05Å; L566-L570 WeakPolarHBondContact O-CG 2.93Å; L566-L570 PolarHBondContact O-N 3.01Å
567	I	82.3	Confident	78	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-41	176.7	-70.1	165.7	0	0	0	111.5	D563 S564 L570 A571 T602 C605 L606	D563-I567 WeakPolarHBondContact O-CG1 3.37Å; D563-I567 PolarHBondContact O-N 3.45Å; S564-I567 PolarHBondContact O-N 2.98Å; I567-L570 PolarHBondContact O-N 2.93Å; I567-A571 WeakPolarHBondContact O-CB 3.43Å; I567-A571 PolarHBondContact O-N 3.41Å; I567-T602 HydrophobicContact CD1-CG2 3.41Å; I567-T602 VanDerWaalsContact CD1-CG2 3.41Å; I567-C605 HydrophobicContact CD1-CB 4.46Å; I567-C605 HydrophobicContact CG2-CB 4.45Å; I567-L606 HydrophobicContact CD1-CD2 4.38Å; I567-L606 HydrophobicContact CD1-CG 4.29Å; I567-L606 HydrophobicContact CG2-CD2 3.68Å; I567-L606 HydrophobicContact CG2-CG 4.24Å
568	S	80.5	Confident	78.8	Confident	12 Å²	12	23.3 Å²	23.3	8%	0.084	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-42.7	176.3	-168.2	0	0	0	0	112	Q501 S564 L565 L566 A571 H572 H609	Q501-S568 PolarHBondContact NE2-OG 3Å; S564-S568 PolarHBondContact O-N 3.21Å; L565-S568 PolarHBondContact O-N 3.11Å; L566-S568 VanDerWaalsContact C-N 3.34Å; L566-S568 PolarHBondContact O-N 3.22Å; S568-A571 PolarHBondContact O-N 3.45Å; S568-H572 PolarHBondContact O-N 3.49Å; S568-H609 WeakPolarHBondContact CB-NE2 3.31Å; S568-H609 PolarHBondContact OG-CE1 3.37Å; S568-H609 PolarHBondContact OG-NE2 3.35Å
569	G	81	Confident	79.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-41	172.5	0	0	0	0	0	113.4	L565 L566 L573	L565-G569 PolarHBondContact O-N 2.94Å; L566-G569 PolarHBondContact O-N 2.87Å; G569-L573 WeakPolarHBondContact O-CB 3.31Å; G569-L573 PolarHBondContact O-N 3.37Å
570	L	81.5	Confident	79.9	Confident	8 Å²	8	28.8 Å²	28.8	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-66.2	-38.8	174	-72.2	179.6	0	0	0	112.5	M517 L520 L566 I567 L573 I574 I593	M517-L570 HydrophobicContact CE-CD2 3.9Å; M517-L570 HydrophobicContact SD-CD2 3.65Å; L520-L570 HydrophobicContact CB-CD2 4.43Å; L520-L570 HydrophobicContact CD1-CD2 3.87Å; L566-L570 HydrophobicContact CD2-CD1 3.55Å; L566-L570 HydrophobicContact CD2-CG 4.05Å; L566-L570 WeakPolarHBondContact O-CG 2.93Å; L566-L570 PolarHBondContact O-N 3.01Å; I567-L570 PolarHBondContact O-N 2.93Å; L570-L573 WeakPolarHBondContact O-CB 3.32Å; L570-L573 PolarHBondContact O-N 3.3Å; L570-I574 WeakPolarHBondContact O-CD1 3.47Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 2.93Å; L570-I593 HydrophobicContact CD1-CD1 3.77Å
571	A	83.5	Confident	80.5	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-45.9	177.1	0	0	0	0	0	111.5	I567 S568 L573 I574 E575 H609 S612 F613	I567-A571 WeakPolarHBondContact O-CB 3.43Å; I567-A571 PolarHBondContact O-N 3.41Å; S568-A571 PolarHBondContact O-N 3.45Å; A571-L573 VanDerWaalsContact C-N 3.29Å; A571-L573 PolarHBondContact O-N 2.87Å; A571-I574 PolarHBondContact O-N 3.24Å; A571-E575 PolarHBondContact O-N 3.01Å; A571-H609 HydrophobicContact CB-CB 3.46Å; A571-H609 VanDerWaalsContact CB-CB 3.46Å; A571-S612 WeakPolarHBondContact O-CB 2.94Å; A571-F613 HydrophobicContact CB-CE1 3.94Å; A571-F613 HydrophobicContact CB-CZ 4.09Å
572	H	81	Confident	80.9	Confident	41 Å²	41	24.6 Å²	24.6	19%	0.19	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-39.3	175.1	-176.4	55.3	0	0	0	111.5	Q501 A504 E505 S568 I574 E575 V576	Q501-H572 PolarHBondContact O-CD2 3.23Å; Q501-H572 PolarHBondContact O-NE2 2.92Å; A504-H572 VanDerWaalsContact CB-CD2 3.49Å; A504-H572 WeakPolarHBondContact CB-CD2 3.4Å; E505-H572 IonicContact OE1-CE1 3.8Å; S568-H572 PolarHBondContact O-N 3.49Å; H572-I574 VanDerWaalsContact C-N 3.34Å; H572-I574 PolarHBondContact O-N 2.89Å; H572-E575 WeakPolarHBondContact O-CB 2.88Å; H572-E575 PolarHBondContact O-N 2.91Å; H572-V576 VanDerWaalsContact O-CG2 3.28Å; H572-V576 WeakPolarHBondContact O-CG2 3.25Å; H572-V576 PolarHBondContact O-N 2.63Å
573	L	79.6	Confident	81.1	Confident	5 Å²	5	28 Å²	28	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-45.1	173.6	-174.4	72.6	0	0	0	112.5	A504 L512 M517 G569 L570 A571 E575 V576 C577 I586	A504-L573 HydrophobicContact CB-CD1 4.11Å; L512-L573 HydrophobicContact CD1-CD1 3.49Å; L512-L573 VanDerWaalsContact CD1-CD1 3.49Å; L512-L573 HydrophobicContact CD1-CD2 4.13Å; L512-L573 HydrophobicContact CD1-CG 4.46Å; L512-L573 HydrophobicContact CD2-CD1 3.54Å; L512-L573 HydrophobicContact CG-CD1 4Å; M517-L573 HydrophobicContact SD-CD2 3.98Å; G569-L573 WeakPolarHBondContact O-CB 3.31Å; G569-L573 PolarHBondContact O-N 3.37Å; L570-L573 WeakPolarHBondContact O-CB 3.32Å; L570-L573 PolarHBondContact O-N 3.3Å; A571-L573 VanDerWaalsContact C-N 3.29Å; A571-L573 PolarHBondContact O-N 2.87Å; L573-E575 VanDerWaalsContact C-N 3.31Å; L573-E575 PolarHBondContact O-N 3.45Å; L573-V576 PolarHBondContact O-N 3.34Å; L573-C577 WeakPolarHBondContact O-CB 3.29Å; L573-C577 PolarHBondContact O-N 3.43Å; L573-I586 HydrophobicContact CD2-CD1 4.33Å
574	I	81.8	Confident	81.3	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-37.2	179.3	-70.9	160.1	0	0	0	110.9	L570 A571 H572 V576 C577 Y582 I586 L590 F613 Q616	L570-I574 WeakPolarHBondContact O-CD1 3.47Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 2.93Å; A571-I574 PolarHBondContact O-N 3.24Å; H572-I574 VanDerWaalsContact C-N 3.34Å; H572-I574 PolarHBondContact O-N 2.89Å; I574-V576 PolarHBondContact O-N 3.09Å; I574-C577 PolarHBondContact O-SG 2.84Å; I574-Y582 HydrophobicContact CG2-CD2 4.43Å; I574-I586 HydrophobicContact CD1-CG2 4.11Å; I574-I586 HydrophobicContact CG1-CD1 4.35Å; I574-I586 HydrophobicContact CG1-CG2 3.92Å; I574-L590 HydrophobicContact CD1-CD1 3.86Å; I574-L590 HydrophobicContact CD1-CD2 3.81Å; I574-L590 HydrophobicContact CD1-CG 4.4Å; I574-F613 HydrophobicContact CD1-CD1 3.85Å; I574-F613 HydrophobicContact CD1-CE1 3.7Å; I574-F613 HydrophobicContact CG2-CD1 4.34Å; I574-Q616 HydrophobicContact CG2-CB 4.12Å; I574-Q616 HydrophobicContact CG2-CG 4.35Å; I574-Q616 VanDerWaalsContact O-CG 3.29Å; I574-Q616 WeakPolarHBondContact O-CG 3.39Å
575	E	82.1	Confident	81.1	Confident	68 Å²	68	35.6 Å²	35.6	32%	0.318	20%	0.195	S	C	.	.	H	α-helix	trans	-62.8	-32.9	178	-170.3	168.1	172.4	0	0	113.1	A571 H572 L573 S612	A571-E575 PolarHBondContact O-N 3.01Å; H572-E575 WeakPolarHBondContact O-CB 2.88Å; H572-E575 PolarHBondContact O-N 2.91Å; L573-E575 VanDerWaalsContact C-N 3.31Å; L573-E575 PolarHBondContact O-N 3.45Å; E575-S612 PolarHBondContact OE2-OG 3.21Å
576	V	80.5	Confident	81.3	Confident	57 Å²	57	33.7 Å²	33.7	35%	0.345	19%	0.185	S	C	.	.	H	α-helix	trans	-95.4	-27.8	-174.3	178.7	0	0	0	0	112.5	E505 H572 L573 I574	E505-V576 HydrophobicContact CB-CG1 3.88Å; E505-V576 HydrophobicContact CG-CB 4.37Å; E505-V576 HydrophobicContact CG-CG1 3.74Å; E505-V576 HydrophobicContact CG-CG2 3.74Å; E505-V576 WeakPolarHBondContact OE1-CG2 3.5Å; H572-V576 VanDerWaalsContact O-CG2 3.28Å; H572-V576 WeakPolarHBondContact O-CG2 3.25Å; H572-V576 PolarHBondContact O-N 2.63Å; L573-V576 PolarHBondContact O-N 3.34Å; I574-V576 PolarHBondContact O-N 3.09Å
577	C	82	Confident	81.4	Confident	11 Å²	11	36.3 Å²	36.3	7%	0.074	20%	0.197	C	C	.	.	S	Bend	trans	-63.5	157.6	-175.3	73.4	0	0	0	0	112.7	Y513 L573 I574 I586 Q616	Y513-C577 WeakPolarHBondContact OH-CB 3.18Å; L573-C577 WeakPolarHBondContact O-CB 3.29Å; L573-C577 PolarHBondContact O-N 3.43Å; I574-C577 PolarHBondContact O-SG 2.84Å; C577-I586 HydrophobicContact CB-CD1 4.14Å; C577-Q616 PolarHBondContact O-NE2 3.4Å
578	S	82.4	Confident	81.5	Confident	45 Å²	45	42.5 Å²	42.5	32%	0.315	22%	0.224	S	C	.	.			trans	-80.4	156.5	171.8	76.6	0	0	0	0	111	I580 D581 Y582	S578-I580 PolarHBondContact O-N 3.2Å; S578-D581 WeakPolarHBondContact CB-OD2 3.43Å; S578-D581 PolarHBondContact O-N 3.16Å; S578-D581 VanDerWaalsContact O-N 3.1Å; S578-D581 PolarHBondContact OG-N 3.49Å; S578-D581 PolarHBondContact OG-OD2 3.05Å; S578-Y582 PolarHBondContact O-N 3.04Å
579	S	80.2	Confident	81.4	Confident	71 Å²	71	43.8 Å²	43.8	50%	0.497	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-36.3	179.8	51.4	0	0	0	0	113	Y582 T583	S579-Y582 PolarHBondContact O-N 3.25Å; S579-T583 WeakPolarHBondContact O-CG2 3.19Å; S579-T583 PolarHBondContact O-N 3.22Å; S579-T583 VanDerWaalsContact O-N 3.15Å; S579-T583 PolarHBondContact O-OG1 3.42Å
580	I	81.3	Confident	81.5	Confident	109 Å²	109	44 Å²	44	56%	0.559	23%	0.231	S	C	*	.	H	α-helix	trans	-67.4	-43.9	176.4	-61.6	159.2	0	0	0	110.8	S578 Y582 T583 D584	S578-I580 PolarHBondContact O-N 3.2Å; I580-Y582 VanDerWaalsContact C-N 3.26Å; I580-Y582 PolarHBondContact O-N 3.45Å; I580-T583 PolarHBondContact O-N 3.02Å; I580-T583 PolarHBondContact O-OG1 3.05Å; I580-D584 WeakPolarHBondContact O-CB 3.48Å; I580-D584 VanDerWaalsContact O-CG 3.29Å; I580-D584 PolarHBondContact O-N 3.23Å
581	D	81.5	Confident	81.6	Confident	14 Å²	14	45.3 Å²	45.3	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-33.3	178.9	-56.8	-48.7	0	0	0	111.2	K509 Y513 S578 Y585	K509-D581 VanDerWaalsContact CE-OD2 3.29Å; K509-D581 WeakPolarHBondContact CE-OD2 3.48Å; K509-D581 IonicContact NZ-OD1 3.2Å; K509-D581 PolarHBondContact NZ-OD1 2.97Å; K509-D581 IonicContact NZ-OD2 2.65Å; K509-D581 PolarHBondContact NZ-OD2 3.16Å; Y513-D581 HydrophobicContact CE2-CB 3.86Å; Y513-D581 VanDerWaalsContact OH-CB 3.32Å; Y513-D581 WeakPolarHBondContact OH-CB 3.4Å; S578-D581 WeakPolarHBondContact CB-OD2 3.43Å; S578-D581 PolarHBondContact O-N 3.16Å; S578-D581 VanDerWaalsContact O-N 3.1Å; S578-D581 PolarHBondContact OG-N 3.49Å; S578-D581 PolarHBondContact OG-OD2 3.05Å; D581-Y585 HydrophobicContact CB-CD2 4.31Å; D581-Y585 WeakPolarHBondContact O-CB 3.25Å; D581-Y585 PolarHBondContact O-N 3.26Å; D581-Y585 VanDerWaalsContact O-N 3.09Å
582	Y	83.8	Confident	81.4	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.016	24%	0.244	C	C	.	.	I	π-helix	trans	-61.9	-52.5	175	173.6	-94.8	0	0	0	111.6	I574 S578 S579 I580 D584 I586 E587 L590 Q616 V617	I574-Y582 HydrophobicContact CG2-CD2 4.43Å; S578-Y582 PolarHBondContact O-N 3.04Å; S579-Y582 PolarHBondContact O-N 3.25Å; I580-Y582 VanDerWaalsContact C-N 3.26Å; I580-Y582 PolarHBondContact O-N 3.45Å; Y582-D584 VanDerWaalsContact C-N 3.34Å; Y582-D584 PolarHBondContact O-N 3.36Å; Y582-I586 HydrophobicContact CD2-CB 3.96Å; Y582-I586 HydrophobicContact CD2-CG2 4.06Å; Y582-I586 HydrophobicContact CE2-CB 4.42Å; Y582-I586 HydrophobicContact CE2-CG2 4.17Å; Y582-I586 PolarHBondContact O-N 2.96Å; Y582-E587 HydrophobicContact CD1-CB 4.38Å; Y582-E587 HydrophobicContact CE1-CB 3.84Å; Y582-E587 HydrophobicContact CE1-CG 4Å; Y582-E587 PolarHBondContact O-N 2.84Å; Y582-L590 HydrophobicContact CE2-CD2 3.9Å; Y582-Q616 HydrophobicContact CD2-CB 4.08Å; Y582-Q616 HydrophobicContact CG-CB 4.07Å; Y582-V617 HydrophobicContact CE2-CG2 4.09Å; Y582-V617 WeakPolarHBondContact OH-CG2 3.31Å
583	T	81.6	Confident	81.4	Confident	74 Å²	74	44.8 Å²	44.8	45%	0.454	24%	0.236	S	C	.	.	I	π-helix	trans	-64.5	-38.9	-178.6	53.4	0	0	0	0	112.2	S579 I580	S579-T583 WeakPolarHBondContact O-CG2 3.19Å; S579-T583 PolarHBondContact O-N 3.22Å; S579-T583 VanDerWaalsContact O-N 3.15Å; S579-T583 PolarHBondContact O-OG1 3.42Å; I580-T583 PolarHBondContact O-N 3.02Å; I580-T583 PolarHBondContact O-OG1 3.05Å
584	D	80	Confident	81.5	Confident	101 Å²	101	45.2 Å²	45.2	54%	0.54	24%	0.238	S	C	.	.	I	π-helix	trans	-77.5	-33.5	-174.3	-71.6	-4.2	0	0	0	112.7	I580 Y582	I580-D584 WeakPolarHBondContact O-CB 3.48Å; I580-D584 VanDerWaalsContact O-CG 3.29Å; I580-D584 PolarHBondContact O-N 3.23Å; Y582-D584 VanDerWaalsContact C-N 3.34Å; Y582-D584 PolarHBondContact O-N 3.36Å
585	Y	76.9	Confident	81.4	Confident	82 Å²	82	50.8 Å²	50.8	32%	0.322	26%	0.264	S	S	.	.	I	π-helix	trans	-128.1	-23.4	-165.9	-53	-51.9	0	0	0	116	Y22 Y513 D581	Y22-Y585 AromaticContact CE1-CE1 3.68Å; Y22-Y585 HydrophobicContact CE1-CE1 3.68Å; Y22-Y585 AromaticContact CE1-CZ 3.92Å; Y22-Y585 AromaticContact CZ-CD1 3.89Å; Y22-Y585 AromaticContact CZ-CE1 3.5Å; Y22-Y585 VanDerWaalsContact CZ-CE1 3.5Å; Y22-Y585 WeakPolarHBondContact OH-CD1 3.31Å; Y22-Y585 WeakPolarHBondContact OH-CE1 3.24Å; Y513-Y585 AromaticContact CD1-CD2 3.93Å; Y513-Y585 HydrophobicContact CD1-CD2 3.93Å; Y513-Y585 HydrophobicContact CD1-CG 4.04Å; Y513-Y585 AromaticContact CD2-CD2 3.83Å; Y513-Y585 HydrophobicContact CD2-CD2 3.83Å; Y513-Y585 HydrophobicContact CD2-CE2 4.18Å; Y513-Y585 HydrophobicContact CE1-CD2 4.33Å; Y513-Y585 HydrophobicContact CE2-CD2 4.24Å; Y513-Y585 AromaticContact CG-CD2 3.67Å; Y513-Y585 HydrophobicContact CG-CD2 3.67Å; Y513-Y585 HydrophobicContact CG-CE2 4.32Å; Y513-Y585 HydrophobicContact CG-CG 4.01Å; D581-Y585 HydrophobicContact CB-CD2 4.31Å; D581-Y585 WeakPolarHBondContact O-CB 3.25Å; D581-Y585 PolarHBondContact O-N 3.26Å; D581-Y585 VanDerWaalsContact O-N 3.09Å
586	I	82.7	Confident	80.9	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.27	C	S	.	.	I	π-helix	trans	-110.3	-41.4	-169.7	-55.2	179	0	0	0	112	Y513 M517 L573 I574 C577 Y582 K588 D589 L590	Y513-I586 HydrophobicContact CE1-CD1 3.95Å; Y513-I586 HydrophobicContact CE1-CG1 3.96Å; M517-I586 HydrophobicContact CE-CG1 4.47Å; M517-I586 HydrophobicContact CE-CG2 4.06Å; L573-I586 HydrophobicContact CD2-CD1 4.33Å; I574-I586 HydrophobicContact CD1-CG2 4.11Å; I574-I586 HydrophobicContact CG1-CD1 4.35Å; I574-I586 HydrophobicContact CG1-CG2 3.92Å; C577-I586 HydrophobicContact CB-CD1 4.14Å; Y582-I586 HydrophobicContact CD2-CB 3.96Å; Y582-I586 HydrophobicContact CD2-CG2 4.06Å; Y582-I586 HydrophobicContact CE2-CB 4.42Å; Y582-I586 HydrophobicContact CE2-CG2 4.17Å; Y582-I586 PolarHBondContact O-N 2.96Å; I586-K588 PolarHBondContact O-N 3.34Å; I586-D589 PolarHBondContact O-N 3.1Å; I586-D589 VanDerWaalsContact O-N 3.12Å; I586-L590 HydrophobicContact CG2-CB 4.29Å; I586-L590 WeakPolarHBondContact O-CB 3.45Å; I586-L590 PolarHBondContact O-N 3.1Å
587	E	84.2	Confident	80.6	Confident	54 Å²	54	50.1 Å²	50.1	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-51.2	-52.9	-168.8	-175.7	179.5	169.7	0	0	113.2	Y582 D589 L590 I591	Y582-E587 HydrophobicContact CD1-CB 4.38Å; Y582-E587 HydrophobicContact CE1-CB 3.84Å; Y582-E587 HydrophobicContact CE1-CG 4Å; Y582-E587 PolarHBondContact O-N 2.84Å; E587-D589 VanDerWaalsContact C-N 3.31Å; E587-D589 PolarHBondContact O-N 3.48Å; E587-L590 PolarHBondContact O-N 3.11Å; E587-I591 HydrophobicContact CG-CD1 3.93Å; E587-I591 VanDerWaalsContact O-CG1 3.32Å; E587-I591 WeakPolarHBondContact O-CG1 3.39Å; E587-I591 PolarHBondContact O-N 2.9Å
588	K	82.8	Confident	80.1	Confident	133 Å²	133	52.5 Å²	52.5	58%	0.578	27%	0.273	S	S	*	.	H	α-helix	trans	-58.4	-41.7	-178.2	-176.7	179.8	179.1	178.2	0	112.7	T18 I586 N592	T18-K588 PolarHBondContact OG1-NZ 2.91Å; T18-K588 VanDerWaalsContact OG1-NZ 3.08Å; I586-K588 PolarHBondContact O-N 3.34Å; K588-N592 PolarHBondContact O-N 2.94Å
589	D	78.9	Confident	79.7	Confident	38 Å²	38	52.1 Å²	52.1	20%	0.203	27%	0.268	C	S	.	.	H	α-helix	trans	-78.6	-35.4	-177.1	-71.8	-54.8	0	0	0	111.9	I521 R525 I586 E587 N592 I593	I521-D589 HydrophobicContact CD1-CB 3.45Å; I521-D589 VanDerWaalsContact CD1-CB 3.45Å; I521-D589 WeakPolarHBondContact CD1-OD2 3.32Å; I521-D589 HydrophobicContact CG1-CB 3.9Å; R525-D589 IonicContact NH2-OD1 3.86Å; I586-D589 PolarHBondContact O-N 3.1Å; I586-D589 VanDerWaalsContact O-N 3.12Å; E587-D589 VanDerWaalsContact C-N 3.31Å; E587-D589 PolarHBondContact O-N 3.48Å; D589-N592 PolarHBondContact O-N 3Å; D589-I593 WeakPolarHBondContact O-CG1 3.25Å; D589-I593 PolarHBondContact O-N 3.25Å
590	L	83.3	Confident	79.7	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-43.6	173.9	-176.4	66	0	0	0	111.7	I574 Y582 I586 E587 N592 I593 F594 F613 V617	I574-L590 HydrophobicContact CD1-CD1 3.86Å; I574-L590 HydrophobicContact CD1-CD2 3.81Å; I574-L590 HydrophobicContact CD1-CG 4.4Å; Y582-L590 HydrophobicContact CE2-CD2 3.9Å; I586-L590 HydrophobicContact CG2-CB 4.29Å; I586-L590 WeakPolarHBondContact O-CB 3.45Å; I586-L590 PolarHBondContact O-N 3.1Å; E587-L590 PolarHBondContact O-N 3.11Å; L590-N592 VanDerWaalsContact C-N 3.29Å; L590-N592 PolarHBondContact O-N 2.9Å; L590-I593 WeakPolarHBondContact O-CB 3.18Å; L590-I593 PolarHBondContact O-N 2.82Å; L590-I593 VanDerWaalsContact O-N 3.1Å; L590-F594 HydrophobicContact CD1-CD2 4.37Å; L590-F594 HydrophobicContact CD1-CE2 3.81Å; L590-F594 HydrophobicContact CD1-CZ 4.22Å; L590-F594 HydrophobicContact CD2-CE2 3.9Å; L590-F594 HydrophobicContact CG-CD2 3.99Å; L590-F594 HydrophobicContact CG-CE2 3.53Å; L590-F594 HydrophobicContact CG-CZ 4.38Å; L590-F594 VanDerWaalsContact O-CD2 3.27Å; L590-F594 WeakPolarHBondContact O-CD2 3.11Å; L590-F594 PolarHBondContact O-N 3.12Å; L590-F613 HydrophobicContact CD1-CE1 4.33Å; L590-V617 HydrophobicContact CD2-CG2 3.88Å
591	I	83.3	Confident	79.5	Confident	36 Å²	36	50.6 Å²	50.6	19%	0.185	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-44.6	174.5	-69.3	166.7	0	0	0	110.3	E587 I593 F594 E595 V621 Y625	E587-I591 HydrophobicContact CG-CD1 3.93Å; E587-I591 VanDerWaalsContact O-CG1 3.32Å; E587-I591 WeakPolarHBondContact O-CG1 3.39Å; E587-I591 PolarHBondContact O-N 2.9Å; I591-I593 VanDerWaalsContact C-N 3.28Å; I591-I593 PolarHBondContact O-N 2.85Å; I591-F594 PolarHBondContact O-N 3.3Å; I591-E595 PolarHBondContact O-N 3.3Å; I591-V621 HydrophobicContact CD1-CG2 4.24Å; I591-V621 HydrophobicContact CG1-CG1 4.37Å; I591-V621 HydrophobicContact CG1-CG2 4.43Å; I591-Y625 HydrophobicContact CG2-CE1 4.5Å; I591-Y625 HydrophobicContact CG2-CE2 3.98Å; I591-Y625 WeakPolarHBondContact CG2-OH 3.5Å
592	N	80.2	Confident	79.3	Confident	26 Å²	26	50 Å²	50	14%	0.139	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-29.5	177.4	170.2	82.9	0	0	0	113	R525 K588 D589 L590 K596	R525-N592 PolarHBondContact NH2-ND2 2.82Å; K588-N592 PolarHBondContact O-N 2.94Å; D589-N592 PolarHBondContact O-N 3Å; L590-N592 VanDerWaalsContact C-N 3.29Å; L590-N592 PolarHBondContact O-N 2.9Å; N592-K596 WeakPolarHBondContact O-CB 3.2Å; N592-K596 WeakPolarHBondContact O-CG 3.13Å; N592-K596 PolarHBondContact O-N 3.33Å; N592-K596 WeakPolarHBondContact OD1-CD 3.36Å; N592-K596 WeakPolarHBondContact OD1-CE 3.15Å; N592-K596 PolarHBondContact OD1-NZ 3.3Å
593	I	79.6	Confident	79.3	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-47.7	171.9	-69.2	167.1	0	0	0	110	L570 D589 L590 I591 E595 K596 S597 L606	L570-I593 HydrophobicContact CD1-CD1 3.77Å; D589-I593 WeakPolarHBondContact O-CG1 3.25Å; D589-I593 PolarHBondContact O-N 3.25Å; L590-I593 WeakPolarHBondContact O-CB 3.18Å; L590-I593 PolarHBondContact O-N 2.82Å; L590-I593 VanDerWaalsContact O-N 3.1Å; I591-I593 VanDerWaalsContact C-N 3.28Å; I591-I593 PolarHBondContact O-N 2.85Å; I593-E595 PolarHBondContact O-N 3.15Å; I593-K596 PolarHBondContact O-N 2.99Å; I593-S597 VanDerWaalsContact O-CB 3.31Å; I593-S597 WeakPolarHBondContact O-CB 3.39Å; I593-S597 PolarHBondContact O-N 3Å; I593-S597 PolarHBondContact O-OG 3.21Å; I593-L606 HydrophobicContact CG2-CD2 4.4Å
594	F	82	Confident	79.4	Confident	14 Å²	14	48.6 Å²	48.6	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-44.3	177.8	-74.2	-58.1	0	0	0	112.3	L590 I591 K596 S597 L606 F613 Y625 I626 L629	L590-F594 HydrophobicContact CD1-CD2 4.37Å; L590-F594 HydrophobicContact CD1-CE2 3.81Å; L590-F594 HydrophobicContact CD1-CZ 4.22Å; L590-F594 HydrophobicContact CD2-CE2 3.9Å; L590-F594 HydrophobicContact CG-CD2 3.99Å; L590-F594 HydrophobicContact CG-CE2 3.53Å; L590-F594 HydrophobicContact CG-CZ 4.38Å; L590-F594 VanDerWaalsContact O-CD2 3.27Å; L590-F594 WeakPolarHBondContact O-CD2 3.11Å; L590-F594 PolarHBondContact O-N 3.12Å; I591-F594 PolarHBondContact O-N 3.3Å; F594-K596 PolarHBondContact O-N 3.49Å; F594-S597 PolarHBondContact O-OG 2.69Å; F594-L606 HydrophobicContact CD1-CD1 4.06Å; F594-L606 HydrophobicContact CD1-CD2 4.48Å; F594-L606 HydrophobicContact CE1-CB 4.35Å; F594-L606 HydrophobicContact CE1-CD1 4.23Å; F594-L606 HydrophobicContact CE1-CD2 3.99Å; F594-L606 HydrophobicContact CE1-CG 4.42Å; F594-F613 HydrophobicContact CE1-CE2 4.44Å; F594-F613 HydrophobicContact CZ-CD2 4.1Å; F594-F613 HydrophobicContact CZ-CE2 4.13Å; F594-Y625 HydrophobicContact CB-CD1 4.04Å; F594-Y625 HydrophobicContact CB-CG 4.12Å; F594-I626 HydrophobicContact CE1-CG1 4.28Å; F594-I626 HydrophobicContact CE2-CG1 4.48Å; F594-I626 HydrophobicContact CZ-CD1 4.28Å; F594-I626 HydrophobicContact CZ-CG1 4Å; F594-L629 HydrophobicContact CD1-CD1 4.29Å
595	E	79.1	Confident	79.5	Confident	120 Å²	120	44.1 Å²	44.1	56%	0.561	21%	0.212	S	C	*	.	H	α-helix	trans	-64.1	-38	-179.7	-78	-177.6	172.2	0	0	113.9	I591 I593 Y625	I591-E595 PolarHBondContact O-N 3.3Å; I593-E595 PolarHBondContact O-N 3.15Å; E595-Y625 HydrophobicContact CG-CD1 4.25Å; E595-Y625 HydrophobicContact CG-CE1 3.41Å; E595-Y625 VanDerWaalsContact CG-CE1 3.41Å; E595-Y625 PolarHBondContact OE1-OH 2.76Å
596	K	73.4	Confident	79.9	Confident	104 Å²	104	40.4 Å²	40.4	45%	0.452	20%	0.198	S	C	.	.	H	α-helix	trans	-88.2	-26.8	-173.7	-72.3	178.2	174.4	162.3	0	113.3	E528 N592 I593 F594 S598	E528-K596 VanDerWaalsContact OE1-C 3.24Å; E528-K596 WeakPolarHBondContact OE2-CB 3.24Å; N592-K596 WeakPolarHBondContact O-CB 3.2Å; N592-K596 WeakPolarHBondContact O-CG 3.13Å; N592-K596 PolarHBondContact O-N 3.33Å; N592-K596 WeakPolarHBondContact OD1-CD 3.36Å; N592-K596 WeakPolarHBondContact OD1-CE 3.15Å; N592-K596 PolarHBondContact OD1-NZ 3.3Å; I593-K596 PolarHBondContact O-N 2.99Å; F594-K596 PolarHBondContact O-N 3.49Å; K596-S598 PolarHBondContact O-N 3.46Å
597	S	73.8	Confident	80	Confident	8 Å²	8	40.5 Å²	40.5	6%	0.056	20%	0.198	C	C	.	.			trans	-52	92	-176.4	66	0	0	0	0	113.2	E528 I593 F594 K603	E528-S597 WeakPolarHBondContact OE1-CA 3.43Å; I593-S597 VanDerWaalsContact O-CB 3.31Å; I593-S597 WeakPolarHBondContact O-CB 3.39Å; I593-S597 PolarHBondContact O-N 3Å; I593-S597 PolarHBondContact O-OG 3.21Å; F594-S597 PolarHBondContact O-OG 2.69Å; S597-K603 WeakPolarHBondContact O-CE 3.22Å
598	S	71.4	Confident	80.1	Confident	60 Å²	60	44.4 Å²	44.4	42%	0.42	21%	0.211	S	C	.	.			trans	-90.7	-33.9	-177.4	56.8	0	0	0	0	111.9	E528 K596	E528-S598 PolarHBondContact OE1-N 3.37Å; K596-S598 PolarHBondContact O-N 3.46Å
599	N	74.4	Confident	80.2	Confident	38 Å²	38	39.6 Å²	39.6	20%	0.203	19%	0.19	C	C	.	.			trans	-71.2	131.1	-175.8	-171.8	-25.1	0	0	0	112.3	Q531 K601 T602 K603	Q531-N599 PolarHBondContact OE1-ND2 2.82Å; N599-K601 VanDerWaalsContact C-N 3.32Å; N599-K601 PolarHBondContact O-N 3.16Å; N599-K601 PolarHBondContact OD1-N 3.14Å; N599-T602 WeakPolarHBondContact O-CB 3.49Å; N599-T602 PolarHBondContact O-N 2.82Å; N599-K603 WeakPolarHBondContact O-CG 3.45Å; N599-K603 PolarHBondContact O-N 3.26Å
600	L	79.2	Confident	80.5	Confident	63 Å²	63	37.9 Å²	37.9	33%	0.33	18%	0.181	S	C	.	.	H	α-helix	trans	-59.6	-38	178	-175.7	62.4	0	0	0	112.5	K603 I604 N638	L600-K603 WeakPolarHBondContact O-CB 3.5Å; L600-K603 PolarHBondContact O-N 3.37Å; L600-I604 HydrophobicContact CG-CD1 4.19Å; L600-I604 HydrophobicContact CG-CG1 4.5Å; L600-I604 VanDerWaalsContact O-CG1 3.22Å; L600-I604 WeakPolarHBondContact O-CG1 3.44Å; L600-I604 PolarHBondContact O-N 2.92Å; L600-N638 HydrophobicContact CD2-CB 3.84Å
601	K	77.5	Confident	80.6	Confident	85 Å²	85	46.3 Å²	46.3	37%	0.37	21%	0.212	S	C	.	.	H	α-helix	trans	-69.1	-38.1	-179.5	-173.2	156.4	160	-165.4	0	112	I560 N561 N599 I604 C605	I560-K601 HydrophobicContact CG2-CB 3.7Å; I560-K601 HydrophobicContact CG2-CD 3.37Å; I560-K601 HydrophobicContact CG2-CG 3.51Å; N561-K601 PolarHBondContact OD1-NZ 2.81Å; N599-K601 VanDerWaalsContact C-N 3.32Å; N599-K601 PolarHBondContact O-N 3.16Å; N599-K601 PolarHBondContact OD1-N 3.14Å; K601-I604 PolarHBondContact O-N 3.07Å; K601-C605 PolarHBondContact O-N 3.41Å
602	T	77.5	Confident	80.6	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-45.6	170.2	-55.6	0	0	0	0	110.5	D563 I567 N599 I604 C605 L606	D563-T602 WeakPolarHBondContact OD2-CG2 3.37Å; D563-T602 PolarHBondContact OD2-OG1 2.62Å; I567-T602 HydrophobicContact CD1-CG2 3.41Å; I567-T602 VanDerWaalsContact CD1-CG2 3.41Å; N599-T602 WeakPolarHBondContact O-CB 3.49Å; N599-T602 PolarHBondContact O-N 2.82Å; T602-I604 PolarHBondContact O-N 2.78Å; T602-C605 WeakPolarHBondContact O-CB 3.29Å; T602-C605 PolarHBondContact O-N 3.15Å; T602-C605 VanDerWaalsContact O-N 3.17Å; T602-L606 HydrophobicContact CG2-CD1 4.4Å; T602-L606 WeakPolarHBondContact O-CG 3.41Å; T602-L606 PolarHBondContact O-N 3.4Å
603	K	83.3	Confident	80.7	Confident	37 Å²	37	44 Å²	44	16%	0.161	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-46.1	174.2	-67.1	176.6	-174.9	-175.3	0	112.3	S597 N599 L600 C605 L606 V607 L629	S597-K603 WeakPolarHBondContact O-CE 3.22Å; N599-K603 WeakPolarHBondContact O-CG 3.45Å; N599-K603 PolarHBondContact O-N 3.26Å; L600-K603 WeakPolarHBondContact O-CB 3.5Å; L600-K603 PolarHBondContact O-N 3.37Å; K603-C605 VanDerWaalsContact C-N 3.28Å; K603-C605 PolarHBondContact O-N 2.68Å; K603-L606 PolarHBondContact O-N 2.8Å; K603-V607 WeakPolarHBondContact O-CG2 3.45Å; K603-V607 PolarHBondContact O-N 3.16Å; K603-L629 HydrophobicContact CB-CD1 4.41Å; K603-L629 HydrophobicContact CB-CD2 4.21Å; K603-L629 HydrophobicContact CB-CG 4.24Å; K603-L629 HydrophobicContact CG-CD1 4.06Å; K603-L629 HydrophobicContact CG-CG 4.2Å
604	I	83.7	Confident	80.9	Confident	11 Å²	11	46 Å²	46	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-43.4	176	-65.1	167	0	0	0	110.6	L600 K601 T602 V607 R608 T640 A641 V644	L600-I604 HydrophobicContact CG-CD1 4.19Å; L600-I604 HydrophobicContact CG-CG1 4.5Å; L600-I604 VanDerWaalsContact O-CG1 3.22Å; L600-I604 WeakPolarHBondContact O-CG1 3.44Å; L600-I604 PolarHBondContact O-N 2.92Å; K601-I604 PolarHBondContact O-N 3.07Å; T602-I604 PolarHBondContact O-N 2.78Å; I604-V607 PolarHBondContact O-N 2.75Å; I604-R608 WeakPolarHBondContact O-CB 3.47Å; I604-R608 PolarHBondContact O-N 3.06Å; I604-T640 HydrophobicContact CG2-CG2 4.46Å; I604-A641 HydrophobicContact CD1-CB 3.68Å; I604-A641 HydrophobicContact CG1-CB 3.63Å; I604-V644 HydrophobicContact CG2-CB 4.15Å; I604-V644 HydrophobicContact CG2-CG1 4.23Å; I604-V644 HydrophobicContact CG2-CG2 3.91Å
605	C	83.2	Confident	80.8	Confident	8 Å²	8	53.5 Å²	53.5	5%	0.054	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-41.1	178.7	-168.8	0	0	0	0	112.3	S564 I567 K601 T602 K603 R608 H609	S564-C605 PolarHBondContact O-SG 2.97Å; I567-C605 HydrophobicContact CD1-CB 4.46Å; I567-C605 HydrophobicContact CG2-CB 4.45Å; K601-C605 PolarHBondContact O-N 3.41Å; T602-C605 WeakPolarHBondContact O-CB 3.29Å; T602-C605 PolarHBondContact O-N 3.15Å; T602-C605 VanDerWaalsContact O-N 3.17Å; K603-C605 VanDerWaalsContact C-N 3.28Å; K603-C605 PolarHBondContact O-N 2.68Å; C605-R608 WeakPolarHBondContact O-CB 3.47Å; C605-R608 PolarHBondContact O-N 3.27Å; C605-H609 PolarHBondContact O-N 2.95Å; C605-H609 PolarHBondContact O-ND1 2.97Å
606	L	85.2	Confident	80.9	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-47.3	174	-70.3	167.9	0	0	0	111.1	I567 I593 F594 T602 K603 R608 H609 T610 F613 L629	I567-L606 HydrophobicContact CD1-CD2 4.38Å; I567-L606 HydrophobicContact CD1-CG 4.29Å; I567-L606 HydrophobicContact CG2-CD2 3.68Å; I567-L606 HydrophobicContact CG2-CG 4.24Å; I593-L606 HydrophobicContact CG2-CD2 4.4Å; F594-L606 HydrophobicContact CD1-CD1 4.06Å; F594-L606 HydrophobicContact CD1-CD2 4.48Å; F594-L606 HydrophobicContact CE1-CB 4.35Å; F594-L606 HydrophobicContact CE1-CD1 4.23Å; F594-L606 HydrophobicContact CE1-CD2 3.99Å; F594-L606 HydrophobicContact CE1-CG 4.42Å; T602-L606 HydrophobicContact CG2-CD1 4.4Å; T602-L606 WeakPolarHBondContact O-CG 3.41Å; T602-L606 PolarHBondContact O-N 3.4Å; K603-L606 PolarHBondContact O-N 2.8Å; L606-R608 VanDerWaalsContact C-N 3.3Å; L606-R608 PolarHBondContact O-N 3.49Å; L606-H609 PolarHBondContact O-N 2.86Å; L606-T610 PolarHBondContact O-N 2.89Å; L606-F613 HydrophobicContact CD2-CE2 4.16Å; L606-F613 HydrophobicContact CD2-CZ 4.04Å; L606-F613 WeakPolarHBondContact O-CE2 3.2Å; L606-L629 HydrophobicContact CB-CD2 4.35Å; L606-L629 HydrophobicContact CD1-CD1 4Å
607	V	85	Confident	81.4	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-41.7	176.1	179	0	0	0	0	111.5	K603 I604 H609 T610 L629 M630 C633 V644 N648	K603-V607 WeakPolarHBondContact O-CG2 3.45Å; K603-V607 PolarHBondContact O-N 3.16Å; I604-V607 PolarHBondContact O-N 2.75Å; V607-H609 PolarHBondContact O-N 3.23Å; V607-H609 VanDerWaalsContact O-N 3.14Å; V607-T610 WeakPolarHBondContact O-CB 3.46Å; V607-T610 PolarHBondContact O-N 3.06Å; V607-T610 PolarHBondContact O-OG1 3.25Å; V607-L629 HydrophobicContact CB-CD2 4.48Å; V607-L629 HydrophobicContact CG2-CD2 3.2Å; V607-M630 HydrophobicContact CG1-CE 3.54Å; V607-M630 HydrophobicContact CG1-SD 3.44Å; V607-M630 WeakPolarHBondContact CG1-SD 3.41Å; V607-M630 HydrophobicContact CG2-SD 4.4Å; V607-C633 HydrophobicContact CG2-CB 4.3Å; V607-V644 HydrophobicContact CB-CG1 3.91Å; V607-V644 HydrophobicContact CG1-CG1 3.73Å; V607-N648 HydrophobicContact CG1-CB 4.01Å; V607-N648 PolarHBondContact O-ND2 3.01Å; V607-N648 PolarHBondContact O-OD1 2.94Å
608	R	85.6	Confident	81.8	Confident	137 Å²	137	46.8 Å²	46.8	52%	0.517	21%	0.213	S	C	.	.	H	α-helix	trans	-56	-33.9	-179.1	-175.2	-179.9	-63.6	179.7	-1	112.6	I604 C605 L606 V644	I604-R608 WeakPolarHBondContact O-CB 3.47Å; I604-R608 PolarHBondContact O-N 3.06Å; C605-R608 WeakPolarHBondContact O-CB 3.47Å; C605-R608 PolarHBondContact O-N 3.27Å; L606-R608 VanDerWaalsContact C-N 3.3Å; L606-R608 PolarHBondContact O-N 3.49Å; R608-V644 HydrophobicContact CB-CG1 3.89Å
609	H	85.2	Confident	82.4	Confident	32 Å²	32	48.6 Å²	48.6	15%	0.148	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	20.7	-178.4	-58.7	93.9	0	0	0	113.3	S568 A571 C605 L606 V607 R611 S612 F613	S568-H609 WeakPolarHBondContact CB-NE2 3.31Å; S568-H609 PolarHBondContact OG-CE1 3.37Å; S568-H609 PolarHBondContact OG-NE2 3.35Å; A571-H609 HydrophobicContact CB-CB 3.46Å; A571-H609 VanDerWaalsContact CB-CB 3.46Å; C605-H609 PolarHBondContact O-N 2.95Å; C605-H609 PolarHBondContact O-ND1 2.97Å; L606-H609 PolarHBondContact O-N 2.86Å; V607-H609 PolarHBondContact O-N 3.23Å; V607-H609 VanDerWaalsContact O-N 3.14Å; H609-R611 PolarHBondContact O-N 3.46Å; H609-R611 VanDerWaalsContact O-N 3.15Å; H609-S612 WeakPolarHBondContact O-CB 3.37Å; H609-S612 PolarHBondContact O-N 3.31Å; H609-F613 HydrophobicContact CB-CE2 4.29Å; H609-F613 HydrophobicContact CB-CZ 4.36Å; H609-F613 WeakPolarHBondContact O-CD2 3.46Å; H609-F613 PolarHBondContact O-N 3.5Å
610	T	85.4	Confident	82.8	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-52.8	-38.5	179.2	-61.9	0	0	0	0	112.2	L606 V607 S612 F613 L614 I626 L652	L606-T610 PolarHBondContact O-N 2.89Å; V607-T610 WeakPolarHBondContact O-CB 3.46Å; V607-T610 PolarHBondContact O-N 3.06Å; V607-T610 PolarHBondContact O-OG1 3.25Å; T610-S612 VanDerWaalsContact C-N 3.29Å; T610-S612 PolarHBondContact O-N 3.37Å; T610-F613 PolarHBondContact O-N 2.83Å; T610-F613 VanDerWaalsContact O-N 3.13Å; T610-L614 HydrophobicContact CG2-CD1 3.96Å; T610-L614 HydrophobicContact CG2-CG 4.03Å; T610-L614 WeakPolarHBondContact O-CG 3.48Å; T610-L614 PolarHBondContact O-N 3.11Å; T610-I626 HydrophobicContact CG2-CG2 4.08Å; T610-L652 HydrophobicContact CG2-CD1 4.16Å; T610-L652 HydrophobicContact CG2-CD2 4Å; T610-L652 HydrophobicContact CG2-CG 4.09Å
611	R	85	Confident	83.1	Confident	182 Å²	182	48.6 Å²	48.6	69%	0.687	22%	0.219	S	C	*	.	H	α-helix	trans	-55.9	-42.1	177.7	-166.8	175	-175.4	141.6	2.1	113.2	H609 L651	H609-R611 PolarHBondContact O-N 3.46Å; H609-R611 VanDerWaalsContact O-N 3.15Å; R611-L651 HydrophobicContact CB-CD1 3.62Å; R611-L651 HydrophobicContact CG-CD1 4.13Å
612	S	82.6	Confident	83.4	Confident	11 Å²	11	44.6 Å²	44.6	8%	0.077	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-36.6	179.9	-56.7	0	0	0	0	111.1	A571 E575 H609 T610	A571-S612 WeakPolarHBondContact O-CB 2.94Å; E575-S612 PolarHBondContact OE2-OG 3.21Å; H609-S612 WeakPolarHBondContact O-CB 3.37Å; H609-S612 PolarHBondContact O-N 3.31Å; T610-S612 VanDerWaalsContact C-N 3.29Å; T610-S612 PolarHBondContact O-N 3.37Å
613	F	83.8	Confident	83.7	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.013	22%	0.221	C	C	.	.	H	α-helix	trans	-70	-43.3	178	-59.4	-38.5	0	0	0	113.1	A571 I574 L590 F594 L606 H609 T610 R615 Q616 V617 I626	A571-F613 HydrophobicContact CB-CE1 3.94Å; A571-F613 HydrophobicContact CB-CZ 4.09Å; I574-F613 HydrophobicContact CD1-CD1 3.85Å; I574-F613 HydrophobicContact CD1-CE1 3.7Å; I574-F613 HydrophobicContact CG2-CD1 4.34Å; L590-F613 HydrophobicContact CD1-CE1 4.33Å; F594-F613 HydrophobicContact CE1-CE2 4.44Å; F594-F613 HydrophobicContact CZ-CD2 4.1Å; F594-F613 HydrophobicContact CZ-CE2 4.13Å; L606-F613 HydrophobicContact CD2-CE2 4.16Å; L606-F613 HydrophobicContact CD2-CZ 4.04Å; L606-F613 WeakPolarHBondContact O-CE2 3.2Å; H609-F613 HydrophobicContact CB-CE2 4.29Å; H609-F613 HydrophobicContact CB-CZ 4.36Å; H609-F613 WeakPolarHBondContact O-CD2 3.46Å; H609-F613 PolarHBondContact O-N 3.5Å; T610-F613 PolarHBondContact O-N 2.83Å; T610-F613 VanDerWaalsContact O-N 3.13Å; F613-R615 PolarHBondContact O-N 3.36Å; F613-Q616 PolarHBondContact O-N 2.85Å; F613-V617 HydrophobicContact CB-CG2 3.95Å; F613-V617 VanDerWaalsContact O-CB 3.25Å; F613-V617 WeakPolarHBondContact O-CB 3.44Å; F613-V617 WeakPolarHBondContact O-CG2 3.42Å; F613-V617 PolarHBondContact O-N 3.26Å; F613-I626 HydrophobicContact CB-CD1 4.04Å
614	L	82.6	Confident	83.8	Confident	45 Å²	45	52 Å²	52	24%	0.236	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.1	-177.3	-74.7	177.6	0	0	0	114.9	T610 I622 L651 L652 Y655	T610-L614 HydrophobicContact CG2-CD1 3.96Å; T610-L614 HydrophobicContact CG2-CG 4.03Å; T610-L614 WeakPolarHBondContact O-CG 3.48Å; T610-L614 PolarHBondContact O-N 3.11Å; L614-I622 HydrophobicContact CD2-CD1 3.43Å; L614-I622 VanDerWaalsContact CD2-CD1 3.43Å; L614-I622 HydrophobicContact CD2-CG1 3.97Å; L614-I622 HydrophobicContact CD2-CG2 4.14Å; L614-L651 HydrophobicContact CD1-CB 3.61Å; L614-L652 HydrophobicContact CD1-CD2 3.89Å; L614-L652 HydrophobicContact CD2-CD2 3.68Å; L614-L652 HydrophobicContact CG-CD2 4.22Å; L614-Y655 HydrophobicContact CD2-CE2 4.39Å
615	R	80.6	Confident	83.9	Confident	172 Å²	172	53.1 Å²	53.1	65%	0.649	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-33.1	179.9	-172.2	173.1	-177.5	160.5	-1.4	113.7	F613	F613-R615 PolarHBondContact O-N 3.36Å
616	Q	80.7	Confident	84.1	Confident	41 Å²	41	53 Å²	53	19%	0.192	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-26.3	-172.8	-63.8	-65.4	-1.4	0	0	113.4	I574 C577 Y582 F613	I574-Q616 HydrophobicContact CG2-CB 4.12Å; I574-Q616 HydrophobicContact CG2-CG 4.35Å; I574-Q616 VanDerWaalsContact O-CG 3.29Å; I574-Q616 WeakPolarHBondContact O-CG 3.39Å; C577-Q616 PolarHBondContact O-NE2 3.4Å; Y582-Q616 HydrophobicContact CD2-CB 4.08Å; Y582-Q616 HydrophobicContact CG-CB 4.07Å; F613-Q616 PolarHBondContact O-N 2.85Å
617	V	83.1	Confident	84.1	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.042	25%	0.245	C	C	.	.	S	Bend	trans	-73.5	131.2	-175.7	178.2	0	0	0	0	109.7	Y582 L590 F613 V621 I622	Y582-V617 HydrophobicContact CE2-CG2 4.09Å; Y582-V617 WeakPolarHBondContact OH-CG2 3.31Å; L590-V617 HydrophobicContact CD2-CG2 3.88Å; F613-V617 HydrophobicContact CB-CG2 3.95Å; F613-V617 VanDerWaalsContact O-CB 3.25Å; F613-V617 WeakPolarHBondContact O-CB 3.44Å; F613-V617 WeakPolarHBondContact O-CG2 3.42Å; F613-V617 PolarHBondContact O-N 3.26Å; V617-V621 HydrophobicContact CG1-CB 3.56Å; V617-V621 HydrophobicContact CG1-CG1 3.47Å; V617-V621 VanDerWaalsContact CG1-CG1 3.47Å; V617-I622 HydrophobicContact CB-CG1 4.47Å; V617-I622 HydrophobicContact CG1-CG1 4.02Å
618	P	83.1	Confident	84.2	Confident	43 Å²	43	56 Å²	56	28%	0.279	26%	0.26	S	S	.	.			trans	-72	153.2	180	30.4	-36.5	0	0	0	112.7	N620 V621 I622	P618-N620 WeakPolarHBondContact CB-OD1 3.29Å; P618-N620 WeakPolarHBondContact CG-OD1 3.15Å; P618-N620 PolarHBondContact O-N 3.45Å; P618-N620 VanDerWaalsContact O-N 3.13Å; P618-N620 PolarHBondContact O-OD1 2.88Å; P618-V621 HydrophobicContact CG-CB 4.32Å; P618-V621 HydrophobicContact CG-CG2 3.86Å; P618-V621 PolarHBondContact O-N 3.26Å; P618-I622 PolarHBondContact O-N 3.4Å
619	D	83	Confident	84.1	Confident	98 Å²	98	50.1 Å²	50.1	52%	0.524	24%	0.239	S	C	.	.	H	α-helix	trans	-53.1	-37.2	-173.8	-60.2	-9.3	0	0	0	113.8	V621 I622 D623 Y655	D619-V621 VanDerWaalsContact C-N 3.34Å; D619-V621 PolarHBondContact O-N 3.16Å; D619-I622 WeakPolarHBondContact O-CB 3.48Å; D619-I622 PolarHBondContact O-N 3.14Å; D619-D623 PolarHBondContact O-N 3.29Å; D619-Y655 HydrophobicContact CB-CE1 4.15Å; D619-Y655 PolarHBondContact OD1-OH 2.87Å
620	N	84.4	Confident	84.1	Confident	97 Å²	97	48.7 Å²	48.7	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-38.8	177.4	63.3	-36.3	0	0	0	112.9	P618 Q624	P618-N620 WeakPolarHBondContact CB-OD1 3.29Å; P618-N620 WeakPolarHBondContact CG-OD1 3.15Å; P618-N620 PolarHBondContact O-N 3.45Å; P618-N620 VanDerWaalsContact O-N 3.13Å; P618-N620 PolarHBondContact O-OD1 2.88Å; N620-Q624 WeakPolarHBondContact O-CB 3Å; N620-Q624 PolarHBondContact O-N 3.47Å
621	V	83.9	Confident	84.1	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-74.8	-34.1	178.9	175.5	0	0	0	0	110.2	I591 V617 P618 D619 Y625	I591-V621 HydrophobicContact CD1-CG2 4.24Å; I591-V621 HydrophobicContact CG1-CG1 4.37Å; I591-V621 HydrophobicContact CG1-CG2 4.43Å; V617-V621 HydrophobicContact CG1-CB 3.56Å; V617-V621 HydrophobicContact CG1-CG1 3.47Å; V617-V621 VanDerWaalsContact CG1-CG1 3.47Å; P618-V621 HydrophobicContact CG-CB 4.32Å; P618-V621 HydrophobicContact CG-CG2 3.86Å; P618-V621 PolarHBondContact O-N 3.26Å; D619-V621 VanDerWaalsContact C-N 3.34Å; D619-V621 PolarHBondContact O-N 3.16Å; V621-Y625 HydrophobicContact CB-CD2 4.49Å; V621-Y625 HydrophobicContact CG1-CD2 3.88Å; V621-Y625 PolarHBondContact O-N 2.7Å
622	I	84.4	Confident	84	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-60.6	-50.1	174.3	-62	166.9	0	0	0	109.9	L614 V617 P618 D619 I626 L627 L652 Y655	L614-I622 HydrophobicContact CD2-CD1 3.43Å; L614-I622 VanDerWaalsContact CD2-CD1 3.43Å; L614-I622 HydrophobicContact CD2-CG1 3.97Å; L614-I622 HydrophobicContact CD2-CG2 4.14Å; V617-I622 HydrophobicContact CB-CG1 4.47Å; V617-I622 HydrophobicContact CG1-CG1 4.02Å; P618-I622 PolarHBondContact O-N 3.4Å; D619-I622 WeakPolarHBondContact O-CB 3.48Å; D619-I622 PolarHBondContact O-N 3.14Å; I622-I626 HydrophobicContact CG1-CD1 4.21Å; I622-I626 HydrophobicContact CG2-CB 4.46Å; I622-I626 PolarHBondContact O-N 2.72Å; I622-I626 VanDerWaalsContact O-N 3.15Å; I622-L627 PolarHBondContact O-N 2.99Å; I622-L652 HydrophobicContact CG2-CD2 4.01Å; I622-Y655 HydrophobicContact CD1-CE1 4.42Å; I622-Y655 HydrophobicContact CD1-CE2 4.47Å; I622-Y655 HydrophobicContact CG2-CD1 4.26Å; I622-Y655 HydrophobicContact CG2-CD2 4.21Å; I622-Y655 HydrophobicContact CG2-CE1 4.37Å; I622-Y655 HydrophobicContact CG2-CE2 4.3Å; I622-Y655 HydrophobicContact CG2-CG 4.19Å
623	D	84.6	Confident	84.1	Confident	79 Å²	79	47.7 Å²	47.7	42%	0.422	23%	0.233	S	C	.	.	I	π-helix	trans	-66.8	-39.2	-179.6	-75.2	-19.2	0	0	0	112.8	D619 P628	D619-D623 PolarHBondContact O-N 3.29Å; D623-P628 VanDerWaalsContact O-CD 3.32Å; D623-P628 WeakPolarHBondContact O-CD 3.31Å
624	Q	85.2	Confident	84.1	Confident	114 Å²	114	47.9 Å²	47.9	53%	0.533	23%	0.234	S	C	.	.	I	π-helix	trans	-78.6	-32.9	-175	-173.6	176.7	-3.7	0	0	113.4	N620 P628	N620-Q624 WeakPolarHBondContact O-CB 3Å; N620-Q624 PolarHBondContact O-N 3.47Å; Q624-P628 WeakPolarHBondContact O-CG 3.22Å
625	Y	86	Confident	84.2	Confident	35 Å²	35	49.8 Å²	49.8	14%	0.137	25%	0.247	C	C	.	.	I	π-helix	trans	-123.2	-51.2	-169.8	-61.4	-76.5	0	0	0	113.7	I591 F594 E595 V621 P628 L629	I591-Y625 HydrophobicContact CG2-CE1 4.5Å; I591-Y625 HydrophobicContact CG2-CE2 3.98Å; I591-Y625 WeakPolarHBondContact CG2-OH 3.5Å; F594-Y625 HydrophobicContact CB-CD1 4.04Å; F594-Y625 HydrophobicContact CB-CG 4.12Å; E595-Y625 HydrophobicContact CG-CD1 4.25Å; E595-Y625 HydrophobicContact CG-CE1 3.41Å; E595-Y625 VanDerWaalsContact CG-CE1 3.41Å; E595-Y625 PolarHBondContact OE1-OH 2.76Å; V621-Y625 HydrophobicContact CB-CD2 4.49Å; V621-Y625 HydrophobicContact CG1-CD2 3.88Å; V621-Y625 PolarHBondContact O-N 2.7Å; Y625-P628 WeakPolarHBondContact O-CD 3.5Å; Y625-L629 WeakPolarHBondContact O-CB 3.31Å; Y625-L629 PolarHBondContact O-N 2.8Å; Y625-L629 VanDerWaalsContact O-N 3.15Å
626	I	86.2	Confident	84.3	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.026	22%	0.223	C	C	.	.	I	π-helix	trans	-69.5	-44.4	-174.8	-58.8	-177.3	0	0	0	110.4	F594 T610 F613 I622 L629 M630 L652	F594-I626 HydrophobicContact CE1-CG1 4.28Å; F594-I626 HydrophobicContact CE2-CG1 4.48Å; F594-I626 HydrophobicContact CZ-CD1 4.28Å; F594-I626 HydrophobicContact CZ-CG1 4Å; T610-I626 HydrophobicContact CG2-CG2 4.08Å; F613-I626 HydrophobicContact CB-CD1 4.04Å; I622-I626 HydrophobicContact CG1-CD1 4.21Å; I622-I626 HydrophobicContact CG2-CB 4.46Å; I622-I626 PolarHBondContact O-N 2.72Å; I622-I626 VanDerWaalsContact O-N 3.15Å; I626-L629 PolarHBondContact O-N 3.43Å; I626-M630 WeakPolarHBondContact O-CB 3.21Å; I626-M630 PolarHBondContact O-N 3.32Å; I626-L652 HydrophobicContact CG2-CD1 3.92Å
627	L	86.2	Confident	84.2	Confident	20 Å²	20	48.1 Å²	48.1	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-46.1	-177.8	-175.6	71.9	0	0	0	112.9	I622 L629 M630 K631 I656	I622-L627 PolarHBondContact O-N 2.99Å; L627-L629 VanDerWaalsContact C-N 3.32Å; L627-L629 PolarHBondContact O-N 3.48Å; L627-M630 WeakPolarHBondContact O-CB 3.42Å; L627-M630 PolarHBondContact O-N 3.41Å; L627-K631 WeakPolarHBondContact O-CG 3.5Å; L627-K631 PolarHBondContact O-N 3.2Å; L627-I656 HydrophobicContact CD1-CD1 4.16Å; L627-I656 HydrophobicContact CD1-CG1 3.59Å
628	P	86.3	Confident	84.3	Confident	51 Å²	51	50.8 Å²	50.8	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-38.4	172.7	-27.9	38.4	0	0	0	113.1	D623 Q624 Y625 K631 Q632	D623-P628 VanDerWaalsContact O-CD 3.32Å; D623-P628 WeakPolarHBondContact O-CD 3.31Å; Q624-P628 WeakPolarHBondContact O-CG 3.22Å; Y625-P628 WeakPolarHBondContact O-CD 3.5Å; P628-K631 PolarHBondContact O-N 2.92Å; P628-Q632 WeakPolarHBondContact O-CG 3.48Å; P628-Q632 PolarHBondContact O-N 2.96Å
629	L	84.7	Confident	84.3	Confident	12 Å²	12	52 Å²	52	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-39.5	179	-170.7	148.5	0	0	0	111.2	F594 K603 L606 V607 Y625 I626 L627 Q632 C633	F594-L629 HydrophobicContact CD1-CD1 4.29Å; K603-L629 HydrophobicContact CB-CD1 4.41Å; K603-L629 HydrophobicContact CB-CD2 4.21Å; K603-L629 HydrophobicContact CB-CG 4.24Å; K603-L629 HydrophobicContact CG-CD1 4.06Å; K603-L629 HydrophobicContact CG-CG 4.2Å; L606-L629 HydrophobicContact CB-CD2 4.35Å; L606-L629 HydrophobicContact CD1-CD1 4Å; V607-L629 HydrophobicContact CB-CD2 4.48Å; V607-L629 HydrophobicContact CG2-CD2 3.2Å; Y625-L629 WeakPolarHBondContact O-CB 3.31Å; Y625-L629 PolarHBondContact O-N 2.8Å; Y625-L629 VanDerWaalsContact O-N 3.15Å; I626-L629 PolarHBondContact O-N 3.43Å; L627-L629 VanDerWaalsContact C-N 3.32Å; L627-L629 PolarHBondContact O-N 3.48Å; L629-Q632 PolarHBondContact O-N 3.38Å; L629-C633 PolarHBondContact O-N 3.2Å; L629-C633 PolarHBondContact O-SG 3.09Å
630	M	85.1	Confident	84.4	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-47.4	170.5	-172.2	69.3	77.2	0	0	111.8	V607 I626 L627 Q632 C633 L634 A645 N648 L649 L652	V607-M630 HydrophobicContact CG1-CE 3.54Å; V607-M630 HydrophobicContact CG1-SD 3.44Å; V607-M630 WeakPolarHBondContact CG1-SD 3.41Å; V607-M630 HydrophobicContact CG2-SD 4.4Å; I626-M630 WeakPolarHBondContact O-CB 3.21Å; I626-M630 PolarHBondContact O-N 3.32Å; L627-M630 WeakPolarHBondContact O-CB 3.42Å; L627-M630 PolarHBondContact O-N 3.41Å; M630-Q632 VanDerWaalsContact C-N 3.31Å; M630-Q632 PolarHBondContact O-N 3.43Å; M630-C633 PolarHBondContact O-N 3.45Å; M630-L634 PolarHBondContact O-N 2.61Å; M630-A645 WeakPolarHBondContact SD-CA 3.45Å; M630-A645 HydrophobicContact SD-CB 3.67Å; M630-A645 VanDerWaalsContact SD-O 3.4Å; M630-N648 HydrophobicContact CE-CB 3.63Å; M630-L649 HydrophobicContact CG-CD1 3.99Å; M630-L652 HydrophobicContact CB-CD1 4.43Å; M630-L652 HydrophobicContact CE-CD1 3.48Å; M630-L652 VanDerWaalsContact CE-CD1 3.48Å; M630-L652 HydrophobicContact CE-CG 4.39Å; M630-L652 HydrophobicContact CG-CD1 4.42Å
631	K	84.4	Confident	84.4	Confident	74 Å²	74	46.3 Å²	46.3	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-41.2	177.1	-72.9	178.2	175.8	-172.2	0	111.4	L627 P628 L634 V635 D660	L627-K631 WeakPolarHBondContact O-CG 3.5Å; L627-K631 PolarHBondContact O-N 3.2Å; P628-K631 PolarHBondContact O-N 2.92Å; K631-L634 PolarHBondContact O-N 3.09Å; K631-V635 WeakPolarHBondContact O-CB 3.22Å; K631-V635 VanDerWaalsContact O-CG2 3.29Å; K631-V635 WeakPolarHBondContact O-CG2 3.47Å; K631-V635 PolarHBondContact O-N 3.31Å; K631-D660 IonicContact NZ-OD2 3.48Å; K631-D660 PolarHBondContact NZ-OD2 2.95Å
632	Q	84.2	Confident	84.4	Confident	97 Å²	97	46.7 Å²	46.7	45%	0.453	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-44	175.2	-71.8	176	17.9	0	0	112.1	P628 L629 M630 V635 S636	P628-Q632 WeakPolarHBondContact O-CG 3.48Å; P628-Q632 PolarHBondContact O-N 2.96Å; L629-Q632 PolarHBondContact O-N 3.38Å; M630-Q632 VanDerWaalsContact C-N 3.31Å; M630-Q632 PolarHBondContact O-N 3.43Å; Q632-V635 PolarHBondContact O-N 2.64Å; Q632-S636 WeakPolarHBondContact O-CB 3.39Å; Q632-S636 PolarHBondContact O-N 3.28Å
633	C	83.4	Confident	84.4	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-41	177.3	-72.5	0	0	0	0	112.2	V607 L629 M630 S636 A641 A645	V607-C633 HydrophobicContact CG2-CB 4.3Å; L629-C633 PolarHBondContact O-N 3.2Å; L629-C633 PolarHBondContact O-SG 3.09Å; M630-C633 PolarHBondContact O-N 3.45Å; C633-S636 WeakPolarHBondContact O-CB 3.48Å; C633-S636 PolarHBondContact O-N 3.16Å; C633-S636 PolarHBondContact O-OG 3.42Å; C633-A641 HydrophobicContact CB-CB 4.33Å; C633-A645 HydrophobicContact CB-CB 3.98Å
634	L	84.2	Confident	84.5	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-37	178.2	-173.2	68.2	0	0	0	112.9	M630 K631 S636 A645 L646 I664 V665 K668	M630-L634 PolarHBondContact O-N 2.61Å; K631-L634 PolarHBondContact O-N 3.09Å; L634-S636 VanDerWaalsContact C-N 3.34Å; L634-A645 HydrophobicContact CB-CB 4.27Å; L634-L646 HydrophobicContact CD1-CD2 3.81Å; L634-L646 HydrophobicContact CD1-CG 4.04Å; L634-I664 HydrophobicContact CD2-CG2 4.47Å; L634-V665 HydrophobicContact CD2-CG2 4.15Å; L634-K668 HydrophobicContact CD1-CB 4.1Å; L634-K668 HydrophobicContact CD2-CB 4.25Å; L634-K668 HydrophobicContact CD2-CG 4.26Å; L634-K668 HydrophobicContact CG-CB 4.11Å; L634-K668 HydrophobicContact CG-CG 4.07Å
635	V	83.9	Confident	84.5	Confident	84 Å²	84	39.3 Å²	39.3	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-80	-19	179.3	175.7	0	0	0	0	112.1	K631 Q632	K631-V635 WeakPolarHBondContact O-CB 3.22Å; K631-V635 VanDerWaalsContact O-CG2 3.29Å; K631-V635 WeakPolarHBondContact O-CG2 3.47Å; K631-V635 PolarHBondContact O-N 3.31Å; Q632-V635 PolarHBondContact O-N 2.64Å
636	S	82.4	Confident	84.5	Confident	19 Å²	19	37.7 Å²	37.7	13%	0.133	20%	0.204	C	C	.	.	S	Bend	trans	-63.5	151.8	-177	78.4	0	0	0	0	113.1	Q632 C633 L634 N638 A641 Q642	Q632-S636 WeakPolarHBondContact O-CB 3.39Å; Q632-S636 PolarHBondContact O-N 3.28Å; C633-S636 WeakPolarHBondContact O-CB 3.48Å; C633-S636 PolarHBondContact O-N 3.16Å; C633-S636 PolarHBondContact O-OG 3.42Å; L634-S636 VanDerWaalsContact C-N 3.34Å; S636-N638 PolarHBondContact O-N 2.97Å; S636-A641 WeakPolarHBondContact OG-CB 3.43Å; S636-Q642 PolarHBondContact O-NE2 3.38Å
637	N	80.5	Confident	84.4	Confident	160 Å²	160	40.8 Å²	40.8	86%	0.856	22%	0.22	S	C	*	.	S	Bend	trans	-76	1.1	176.2	-65	-17.6	0	0	0	113.3
638	N	83.6	Confident	84.4	Confident	62 Å²	62	40.8 Å²	40.8	33%	0.332	22%	0.22	S	C	.	.			trans	-90.2	120.5	-175.9	-174.3	-51.7	0	0	0	110.6	L600 S636 T640 A641 Q642	L600-N638 HydrophobicContact CD2-CB 3.84Å; S636-N638 PolarHBondContact O-N 2.97Å; N638-T640 VanDerWaalsContact C-N 3.34Å; N638-T640 PolarHBondContact O-N 2.79Å; N638-T640 WeakPolarHBondContact OD1-CB 3.49Å; N638-T640 PolarHBondContact OD1-N 3.05Å; N638-A641 HydrophobicContact CB-CB 3.94Å; N638-A641 WeakPolarHBondContact O-CB 3.49Å; N638-A641 PolarHBondContact O-N 3.47Å; N638-A641 PolarHBondContact OD1-N 2.76Å; N638-Q642 PolarHBondContact O-N 3.31Å; N638-Q642 VanDerWaalsContact O-N 3.1Å
639	I	83.6	Confident	84.3	Confident	70 Å²	70	38.6 Å²	38.6	36%	0.359	21%	0.206	S	C	.	.	H	α-helix	trans	-59.1	-44	-177.8	-61	170.5	0	0	0	111.5	A641 Q642 I643 L680	I639-A641 VanDerWaalsContact C-N 3.3Å; I639-A641 PolarHBondContact O-N 3.44Å; I639-Q642 PolarHBondContact O-N 3.26Å; I639-I643 HydrophobicContact CG2-CD1 3.83Å; I639-I643 HydrophobicContact CG2-CG1 4.39Å; I639-I643 WeakPolarHBondContact O-CG1 3.37Å; I639-I643 PolarHBondContact O-N 2.94Å; I639-L680 HydrophobicContact CG2-CB 4.41Å; I639-L680 HydrophobicContact CG2-CD2 4.42Å
640	T	84.5	Confident	84.2	Confident	73 Å²	73	42.2 Å²	42.2	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-38.2	179.3	-50	0	0	0	0	111.6	I604 N638 I643 V644	I604-T640 HydrophobicContact CG2-CG2 4.46Å; N638-T640 VanDerWaalsContact C-N 3.34Å; N638-T640 PolarHBondContact O-N 2.79Å; N638-T640 WeakPolarHBondContact OD1-CB 3.49Å; N638-T640 PolarHBondContact OD1-N 3.05Å; T640-I643 PolarHBondContact O-N 3.19Å; T640-V644 HydrophobicContact CG2-CG2 4.5Å; T640-V644 WeakPolarHBondContact O-CB 3.48Å; T640-V644 VanDerWaalsContact O-CG2 3.29Å; T640-V644 WeakPolarHBondContact O-CG2 3.31Å; T640-V644 PolarHBondContact O-N 2.87Å
641	A	84.4	Confident	84	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-42.2	176.1	0	0	0	0	0	112.2	I604 C633 S636 N638 I639 A645	I604-A641 HydrophobicContact CD1-CB 3.68Å; I604-A641 HydrophobicContact CG1-CB 3.63Å; C633-A641 HydrophobicContact CB-CB 4.33Å; S636-A641 WeakPolarHBondContact OG-CB 3.43Å; N638-A641 HydrophobicContact CB-CB 3.94Å; N638-A641 WeakPolarHBondContact O-CB 3.49Å; N638-A641 PolarHBondContact O-N 3.47Å; N638-A641 PolarHBondContact OD1-N 2.76Å; I639-A641 VanDerWaalsContact C-N 3.3Å; I639-A641 PolarHBondContact O-N 3.44Å; A641-A645 VanDerWaalsContact O-CB 3.23Å; A641-A645 WeakPolarHBondContact O-CB 3.31Å; A641-A645 PolarHBondContact O-N 2.88Å
642	Q	85.6	Confident	83.9	Confident	13 Å²	13	41.1 Å²	41.1	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-45.3	176.7	-67.3	179	27.4	0	0	111.7	S636 N638 I639 V644 A645 L646 L680	S636-Q642 PolarHBondContact O-NE2 3.38Å; N638-Q642 PolarHBondContact O-N 3.31Å; N638-Q642 VanDerWaalsContact O-N 3.1Å; I639-Q642 PolarHBondContact O-N 3.26Å; Q642-V644 PolarHBondContact O-N 3.45Å; Q642-A645 PolarHBondContact O-N 3.08Å; Q642-L646 WeakPolarHBondContact O-CB 3.47Å; Q642-L646 VanDerWaalsContact O-CG 3.24Å; Q642-L646 WeakPolarHBondContact O-CG 3.47Å; Q642-L646 PolarHBondContact O-N 2.92Å; Q642-L680 HydrophobicContact CB-CD1 3.8Å
643	I	84.1	Confident	83.7	Confident	23 Å²	23	37.2 Å²	37.2	12%	0.118	20%	0.203	C	C	.	.	H	α-helix	trans	-57.6	-50.7	176.8	-68.3	167	0	0	0	110.6	I639 T640 A645 L646 N647 Q679 L680 A683	I639-I643 HydrophobicContact CG2-CD1 3.83Å; I639-I643 HydrophobicContact CG2-CG1 4.39Å; I639-I643 WeakPolarHBondContact O-CG1 3.37Å; I639-I643 PolarHBondContact O-N 2.94Å; T640-I643 PolarHBondContact O-N 3.19Å; I643-A645 VanDerWaalsContact C-N 3.32Å; I643-A645 PolarHBondContact O-N 2.78Å; I643-L646 PolarHBondContact O-N 3.24Å; I643-N647 WeakPolarHBondContact O-CB 3.24Å; I643-N647 PolarHBondContact O-N 2.97Å; I643-Q679 HydrophobicContact CD1-CB 3.88Å; I643-L680 HydrophobicContact CD1-CB 4.42Å; I643-L680 HydrophobicContact CG1-CB 4.1Å; I643-L680 HydrophobicContact CG1-CD1 3.86Å; I643-A683 HydrophobicContact CG2-CB 4.2Å
644	V	85.2	Confident	83.5	Confident	14 Å²	14	40.4 Å²	40.4	9%	0.085	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-38.9	-178.4	171.4	0	0	0	0	111.2	I604 V607 R608 T640 Q642 N648	I604-V644 HydrophobicContact CG2-CB 4.15Å; I604-V644 HydrophobicContact CG2-CG1 4.23Å; I604-V644 HydrophobicContact CG2-CG2 3.91Å; V607-V644 HydrophobicContact CB-CG1 3.91Å; V607-V644 HydrophobicContact CG1-CG1 3.73Å; R608-V644 HydrophobicContact CB-CG1 3.89Å; T640-V644 HydrophobicContact CG2-CG2 4.5Å; T640-V644 WeakPolarHBondContact O-CB 3.48Å; T640-V644 VanDerWaalsContact O-CG2 3.29Å; T640-V644 WeakPolarHBondContact O-CG2 3.31Å; T640-V644 PolarHBondContact O-N 2.87Å; Q642-V644 PolarHBondContact O-N 3.45Å; V644-N648 WeakPolarHBondContact O-CB 3.44Å; V644-N648 PolarHBondContact O-N 2.68Å; V644-N648 VanDerWaalsContact O-N 3.16Å; V644-N648 PolarHBondContact O-ND2 3.43Å
645	A	86.8	Confident	83.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-47.1	176.4	0	0	0	0	0	112.3	M630 C633 L634 A641 Q642 I643 N647 N648 L649	M630-A645 WeakPolarHBondContact SD-CA 3.45Å; M630-A645 HydrophobicContact SD-CB 3.67Å; M630-A645 VanDerWaalsContact SD-O 3.4Å; C633-A645 HydrophobicContact CB-CB 3.98Å; L634-A645 HydrophobicContact CB-CB 4.27Å; A641-A645 VanDerWaalsContact O-CB 3.23Å; A641-A645 WeakPolarHBondContact O-CB 3.31Å; A641-A645 PolarHBondContact O-N 2.88Å; Q642-A645 PolarHBondContact O-N 3.08Å; I643-A645 VanDerWaalsContact C-N 3.32Å; I643-A645 PolarHBondContact O-N 2.78Å; A645-N647 PolarHBondContact O-N 3.17Å; A645-N648 PolarHBondContact O-N 3.08Å; A645-L649 WeakPolarHBondContact O-CB 3.46Å; A645-L649 PolarHBondContact O-N 2.75Å
646	L	85.6	Confident	83.2	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-43.2	180	-72.4	167.8	0	0	0	112.1	L634 Q642 I643 N648 L649 I669 A672 L680 A683 S684 C687	L634-L646 HydrophobicContact CD1-CD2 3.81Å; L634-L646 HydrophobicContact CD1-CG 4.04Å; Q642-L646 WeakPolarHBondContact O-CB 3.47Å; Q642-L646 VanDerWaalsContact O-CG 3.24Å; Q642-L646 WeakPolarHBondContact O-CG 3.47Å; Q642-L646 PolarHBondContact O-N 2.92Å; I643-L646 PolarHBondContact O-N 3.24Å; L646-N648 PolarHBondContact O-N 3.41Å; L646-L649 WeakPolarHBondContact O-CB 3.19Å; L646-L649 PolarHBondContact O-N 3.14Å; L646-I669 HydrophobicContact CD2-CG1 3.98Å; L646-A672 HydrophobicContact CD1-CB 4.35Å; L646-L680 HydrophobicContact CD1-CD1 3.85Å; L646-A683 HydrophobicContact CB-CB 4.22Å; L646-A683 HydrophobicContact CD1-CB 4.45Å; L646-S684 WeakPolarHBondContact CD1-OG 3.49Å; L646-C687 HydrophobicContact CB-CB 4.19Å; L646-C687 HydrophobicContact CD2-CB 4.11Å
647	N	84.4	Confident	83.1	Confident	70 Å²	70	42.2 Å²	42.2	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-65.2	-37.3	178.1	-72	-9.6	0	0	0	112.5	I643 A645 A683	I643-N647 WeakPolarHBondContact O-CB 3.24Å; I643-N647 PolarHBondContact O-N 2.97Å; A645-N647 PolarHBondContact O-N 3.17Å; N647-A683 VanDerWaalsContact OD1-CB 3.26Å; N647-A683 WeakPolarHBondContact OD1-CB 3.4Å
648	N	86.3	Confident	83.2	Confident	19 Å²	19	37.7 Å²	37.7	10%	0.102	22%	0.218	C	C	.	.	H	α-helix	trans	-85.6	-11.4	179.5	-75.4	-85.2	0	0	0	113.1	V607 M630 V644 A645 L646 E650 L651	V607-N648 HydrophobicContact CG1-CB 4.01Å; V607-N648 PolarHBondContact O-ND2 3.01Å; V607-N648 PolarHBondContact O-OD1 2.94Å; M630-N648 HydrophobicContact CE-CB 3.63Å; V644-N648 WeakPolarHBondContact O-CB 3.44Å; V644-N648 PolarHBondContact O-N 2.68Å; V644-N648 VanDerWaalsContact O-N 3.16Å; V644-N648 PolarHBondContact O-ND2 3.43Å; A645-N648 PolarHBondContact O-N 3.08Å; L646-N648 PolarHBondContact O-N 3.41Å; N648-E650 PolarHBondContact O-N 3.08Å; N648-L651 WeakPolarHBondContact O-CB 3.4Å; N648-L651 PolarHBondContact O-N 3.16Å; N648-L651 VanDerWaalsContact O-N 3.11Å
649	L	84.4	Confident	83.1	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-32.7	178.8	-158.5	75.5	0	0	0	111.8	M630 A645 L646 L651 L652 V653 I656 V665 C687	M630-L649 HydrophobicContact CG-CD1 3.99Å; A645-L649 WeakPolarHBondContact O-CB 3.46Å; A645-L649 PolarHBondContact O-N 2.75Å; L646-L649 WeakPolarHBondContact O-CB 3.19Å; L646-L649 PolarHBondContact O-N 3.14Å; L649-L651 PolarHBondContact O-N 3.03Å; L649-L651 VanDerWaalsContact O-N 3.15Å; L649-L652 CarbonylContact O-C 3.37Å; L649-L652 PolarHBondContact O-N 2.92Å; L649-V653 WeakPolarHBondContact O-CG2 3.32Å; L649-V653 PolarHBondContact O-N 3.49Å; L649-V653 VanDerWaalsContact O-N 3.07Å; L649-I656 HydrophobicContact CD1-CD1 3.44Å; L649-I656 VanDerWaalsContact CD1-CD1 3.44Å; L649-I656 HydrophobicContact CG-CD1 3.97Å; L649-V665 HydrophobicContact CD2-CB 4.19Å; L649-V665 HydrophobicContact CD2-CG1 3.31Å; L649-V665 HydrophobicContact CD2-CG2 3.79Å; L649-C687 VanDerWaalsContact CD2-SG 3.54Å
650	E	81.3	Confident	83	Confident	88 Å²	88	37.3 Å²	37.3	41%	0.411	22%	0.219	S	C	.	.	H	α-helix	trans	-49.8	-38.6	173.6	163.7	170.4	-153.3	0	0	112.2	N648 L652 H686 T690	N648-E650 PolarHBondContact O-N 3.08Å; E650-L652 VanDerWaalsContact C-N 3.32Å; E650-L652 PolarHBondContact O-N 3.1Å; E650-H686 IonicContact OE2-NE2 3.63Å; E650-H686 PolarHBondContact OE2-NE2 2.86Å; E650-T690 HydrophobicContact CB-CG2 3.87Å; E650-T690 HydrophobicContact CG-CG2 3.64Å
651	L	82.1	Confident	82.9	Confident	55 Å²	55	33.9 Å²	33.9	29%	0.288	20%	0.198	S	C	.	.	H	α-helix	trans	-76.1	-22.7	-177.5	-54.7	174	0	0	0	112.8	R611 L614 N648 L649	R611-L651 HydrophobicContact CB-CD1 3.62Å; R611-L651 HydrophobicContact CG-CD1 4.13Å; L614-L651 HydrophobicContact CD1-CB 3.61Å; N648-L651 WeakPolarHBondContact O-CB 3.4Å; N648-L651 PolarHBondContact O-N 3.16Å; N648-L651 VanDerWaalsContact O-N 3.11Å; L649-L651 PolarHBondContact O-N 3.03Å; L649-L651 VanDerWaalsContact O-N 3.15Å
652	L	82.3	Confident	82.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-107.2	0.3	-174.6	-62.1	-177.1	0	0	0	113.9	T610 L614 I622 I626 M630 L649 E650 G654 Y655 I656	T610-L652 HydrophobicContact CG2-CD1 4.16Å; T610-L652 HydrophobicContact CG2-CD2 4Å; T610-L652 HydrophobicContact CG2-CG 4.09Å; L614-L652 HydrophobicContact CD1-CD2 3.89Å; L614-L652 HydrophobicContact CD2-CD2 3.68Å; L614-L652 HydrophobicContact CG-CD2 4.22Å; I622-L652 HydrophobicContact CG2-CD2 4.01Å; I626-L652 HydrophobicContact CG2-CD1 3.92Å; M630-L652 HydrophobicContact CB-CD1 4.43Å; M630-L652 HydrophobicContact CE-CD1 3.48Å; M630-L652 VanDerWaalsContact CE-CD1 3.48Å; M630-L652 HydrophobicContact CE-CG 4.39Å; M630-L652 HydrophobicContact CG-CD1 4.42Å; L649-L652 CarbonylContact O-C 3.37Å; L649-L652 PolarHBondContact O-N 2.92Å; E650-L652 VanDerWaalsContact C-N 3.32Å; E650-L652 PolarHBondContact O-N 3.1Å; L652-G654 PolarHBondContact O-N 2.84Å; L652-Y655 HydrophobicContact CD2-CD2 4.19Å; L652-Y655 PolarHBondContact O-N 2.88Å; L652-I656 HydrophobicContact CB-CD1 4.49Å
653	V	79.6	Confident	82.7	Confident	14 Å²	14	40.5 Å²	40.5	9%	0.085	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.1	-176.3	-177	0	0	0	0	112.4	L649 Y655 L661 T690 I691 R694	L649-V653 WeakPolarHBondContact O-CG2 3.32Å; L649-V653 PolarHBondContact O-N 3.49Å; L649-V653 VanDerWaalsContact O-N 3.07Å; V653-Y655 VanDerWaalsContact C-N 3.34Å; V653-Y655 PolarHBondContact O-N 2.85Å; V653-L661 HydrophobicContact CG1-CD1 4.12Å; V653-T690 HydrophobicContact CG2-CG2 4.32Å; V653-I691 HydrophobicContact CG2-CG2 4.11Å; V653-R694 HydrophobicContact CG1-CG 3.94Å
654	G	78.8	Confident	82.6	Confident	69 Å²	69	42.1 Å²	42.1	71%	0.711	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.9	177.2	0	0	0	0	0	115.7	L652	L652-G654 PolarHBondContact O-N 2.84Å
655	Y	80	Confident	82.6	Confident	81 Å²	81	41.7 Å²	41.7	32%	0.318	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-12.3	-177.9	-62.6	-85.6	0	0	0	112.9	L614 D619 I622 L652 V653	L614-Y655 HydrophobicContact CD2-CE2 4.39Å; D619-Y655 HydrophobicContact CB-CE1 4.15Å; D619-Y655 PolarHBondContact OD1-OH 2.87Å; I622-Y655 HydrophobicContact CD1-CE1 4.42Å; I622-Y655 HydrophobicContact CD1-CE2 4.47Å; I622-Y655 HydrophobicContact CG2-CD1 4.26Å; I622-Y655 HydrophobicContact CG2-CD2 4.21Å; I622-Y655 HydrophobicContact CG2-CE1 4.37Å; I622-Y655 HydrophobicContact CG2-CE2 4.3Å; I622-Y655 HydrophobicContact CG2-CG 4.19Å; L652-Y655 HydrophobicContact CD2-CD2 4.19Å; L652-Y655 PolarHBondContact O-N 2.88Å; V653-Y655 VanDerWaalsContact C-N 3.34Å; V653-Y655 PolarHBondContact O-N 2.85Å
656	I	82.1	Confident	82.5	Confident	16 Å²	16	41.8 Å²	41.8	8%	0.082	24%	0.238	C	C	.	.	S	Bend	trans	-92.2	133.1	-175.9	-54.1	171.7	0	0	0	109.6	L627 L649 L652 D660 L661	L627-I656 HydrophobicContact CD1-CD1 4.16Å; L627-I656 HydrophobicContact CD1-CG1 3.59Å; L649-I656 HydrophobicContact CD1-CD1 3.44Å; L649-I656 VanDerWaalsContact CD1-CD1 3.44Å; L649-I656 HydrophobicContact CG-CD1 3.97Å; L652-I656 HydrophobicContact CB-CD1 4.49Å; I656-D660 HydrophobicContact CG2-CB 3.78Å; I656-L661 HydrophobicContact CB-CD2 4.01Å; I656-L661 HydrophobicContact CB-CG 4.05Å; I656-L661 HydrophobicContact CD1-CD2 4.07Å; I656-L661 HydrophobicContact CG2-CD2 3.78Å; I656-L661 HydrophobicContact CG2-CG 3.69Å
657	S	80.7	Confident	82.5	Confident	52 Å²	52	46.7 Å²	46.7	36%	0.364	26%	0.261	S	S	.	.			trans	-62.7	144.1	173.6	68.1	0	0	0	0	110.9	T659 D660 L661	S657-T659 PolarHBondContact O-N 3.16Å; S657-T659 PolarHBondContact OG-OG1 2.99Å; S657-D660 PolarHBondContact O-N 2.81Å; S657-D660 VanDerWaalsContact OG-CB 3.27Å; S657-D660 WeakPolarHBondContact OG-CB 2.81Å; S657-D660 PolarHBondContact OG-N 2.79Å; S657-D660 PolarHBondContact OG-OD1 2.65Å; S657-L661 PolarHBondContact O-N 3.16Å
658	V	81	Confident	82.4	Confident	64 Å²	64	45.3 Å²	45.3	39%	0.388	25%	0.251	S	S	.	.	H	α-helix	trans	-57.6	-36.2	179.5	-178.5	0	0	0	0	111	D660 L661 E662	V658-D660 PolarHBondContact O-N 3.13Å; V658-L661 WeakPolarHBondContact O-CB 3.36Å; V658-L661 PolarHBondContact O-N 3.04Å; V658-E662 HydrophobicContact CG1-CG 4.34Å; V658-E662 VanDerWaalsContact O-CG 3.29Å; V658-E662 WeakPolarHBondContact O-CG 3.22Å; V658-E662 PolarHBondContact O-N 3.35Å
659	T	82	Confident	82.3	Confident	81 Å²	81	44.4 Å²	44.4	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-41.2	176	52.6	0	0	0	0	112.9	S657 E662 I663	S657-T659 PolarHBondContact O-N 3.16Å; S657-T659 PolarHBondContact OG-OG1 2.99Å; T659-E662 PolarHBondContact O-N 3.1Å; T659-I663 WeakPolarHBondContact O-CB 3.4Å; T659-I663 WeakPolarHBondContact O-CG1 3.12Å; T659-I663 PolarHBondContact O-N 3.06Å
660	D	82.6	Confident	82.3	Confident	43 Å²	43	46.8 Å²	46.8	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-70.6	-35	178.2	-75	7.2	0	0	0	111	K631 I656 S657 V658 I664 V665	K631-D660 IonicContact NZ-OD2 3.48Å; K631-D660 PolarHBondContact NZ-OD2 2.95Å; I656-D660 HydrophobicContact CG2-CB 3.78Å; S657-D660 PolarHBondContact O-N 2.81Å; S657-D660 VanDerWaalsContact OG-CB 3.27Å; S657-D660 WeakPolarHBondContact OG-CB 2.81Å; S657-D660 PolarHBondContact OG-N 2.79Å; S657-D660 PolarHBondContact OG-OD1 2.65Å; V658-D660 PolarHBondContact O-N 3.13Å; D660-I664 HydrophobicContact CB-CD1 4.18Å; D660-I664 WeakPolarHBondContact O-CA 3.47Å; D660-I664 VanDerWaalsContact O-CB 3.27Å; D660-I664 WeakPolarHBondContact O-CB 3.46Å; D660-I664 PolarHBondContact O-N 2.93Å; D660-V665 PolarHBondContact O-N 3.02Å
661	L	81.4	Confident	82.3	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.25	C	S	.	.	I	π-helix	trans	-62.4	-46.3	173.1	-70.6	172.6	0	0	0	111.3	V653 I656 S657 V658 V665 L666 I691 R694 L695	V653-L661 HydrophobicContact CG1-CD1 4.12Å; I656-L661 HydrophobicContact CB-CD2 4.01Å; I656-L661 HydrophobicContact CB-CG 4.05Å; I656-L661 HydrophobicContact CD1-CD2 4.07Å; I656-L661 HydrophobicContact CG2-CD2 3.78Å; I656-L661 HydrophobicContact CG2-CG 3.69Å; S657-L661 PolarHBondContact O-N 3.16Å; V658-L661 WeakPolarHBondContact O-CB 3.36Å; V658-L661 PolarHBondContact O-N 3.04Å; L661-V665 HydrophobicContact CD2-CB 4.46Å; L661-V665 HydrophobicContact CD2-CG2 4.13Å; L661-V665 WeakPolarHBondContact O-CB 3.44Å; L661-L666 PolarHBondContact O-N 2.91Å; L661-I691 HydrophobicContact CD2-CG2 4.23Å; L661-R694 HydrophobicContact CD1-CB 4.41Å; L661-L695 HydrophobicContact CB-CD2 4.34Å
662	E	83.3	Confident	82.2	Confident	41 Å²	41	42.8 Å²	42.8	19%	0.192	24%	0.236	C	C	.	.	I	π-helix	trans	-72	-38.5	-177.1	-70.7	-178.6	148.8	0	0	113.1	V658 T659 L666 L695 S696 T699	V658-E662 HydrophobicContact CG1-CG 4.34Å; V658-E662 VanDerWaalsContact O-CG 3.29Å; V658-E662 WeakPolarHBondContact O-CG 3.22Å; V658-E662 PolarHBondContact O-N 3.35Å; T659-E662 PolarHBondContact O-N 3.1Å; E662-L666 WeakPolarHBondContact O-CB 3.29Å; E662-L695 HydrophobicContact CG-CD2 3.75Å; E662-S696 WeakPolarHBondContact OE1-CB 3.49Å; E662-S696 PolarHBondContact OE1-N 3.2Å; E662-S696 PolarHBondContact OE1-OG 2.83Å; E662-T699 HydrophobicContact CB-CG2 4.36Å; E662-T699 VanDerWaalsContact CD-OG1 3.24Å; E662-T699 HydrophobicContact CG-CG2 4.09Å; E662-T699 PolarHBondContact OE1-OG1 3.32Å
663	I	82.9	Confident	82	Confident	113 Å²	113	42.9 Å²	42.9	58%	0.579	24%	0.237	S	C	*	.	I	π-helix	trans	-90.4	-53	-175.6	-61.3	171.1	0	0	0	110.8	T659 Q667	T659-I663 WeakPolarHBondContact O-CB 3.4Å; T659-I663 WeakPolarHBondContact O-CG1 3.12Å; T659-I663 PolarHBondContact O-N 3.06Å; I663-Q667 WeakPolarHBondContact O-CB 3.5Å
664	I	82.3	Confident	82	Confident	56 Å²	56	49.4 Å²	49.4	29%	0.287	27%	0.266	S	S	.	.	I	π-helix	trans	-84.7	-54.3	-169.5	-54	175.1	0	0	0	110.2	L634 D660 K668	L634-I664 HydrophobicContact CD2-CG2 4.47Å; D660-I664 HydrophobicContact CB-CD1 4.18Å; D660-I664 WeakPolarHBondContact O-CA 3.47Å; D660-I664 VanDerWaalsContact O-CB 3.27Å; D660-I664 WeakPolarHBondContact O-CB 3.46Å; D660-I664 PolarHBondContact O-N 2.93Å; I664-K668 WeakPolarHBondContact O-CB 3.48Å; I664-K668 VanDerWaalsContact O-CG 3.28Å; I664-K668 WeakPolarHBondContact O-CG 3.4Å; I664-K668 PolarHBondContact O-N 3.46Å; I664-K668 VanDerWaalsContact O-N 3.1Å
665	V	84.2	Confident	81.8	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.03	26%	0.256	C	S	.	.	I	π-helix	trans	-70.6	-49.2	-172.3	175.7	0	0	0	0	110.8	L634 L649 D660 L661 Q667 K668 I669 I691	L634-V665 HydrophobicContact CD2-CG2 4.15Å; L649-V665 HydrophobicContact CD2-CB 4.19Å; L649-V665 HydrophobicContact CD2-CG1 3.31Å; L649-V665 HydrophobicContact CD2-CG2 3.79Å; D660-V665 PolarHBondContact O-N 3.02Å; L661-V665 HydrophobicContact CD2-CB 4.46Å; L661-V665 HydrophobicContact CD2-CG2 4.13Å; L661-V665 WeakPolarHBondContact O-CB 3.44Å; V665-Q667 VanDerWaalsContact C-N 3.35Å; V665-Q667 PolarHBondContact O-N 3.08Å; V665-K668 CarbonylContact O-C 3.52Å; V665-K668 PolarHBondContact O-N 2.96Å; V665-K668 VanDerWaalsContact O-N 3.09Å; V665-I669 HydrophobicContact CG1-CD1 3.83Å; V665-I669 HydrophobicContact CG1-CG1 4.34Å; V665-I669 WeakPolarHBondContact O-CG1 3.29Å; V665-I669 PolarHBondContact O-N 2.95Å; V665-I691 HydrophobicContact CG1-CD1 4.19Å
666	L	84.8	Confident	81.3	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-40.5	-179.6	-176.6	62.1	0	0	0	112.1	L661 E662 K668 I669 K670 L688 T699 D703 V704	L661-L666 PolarHBondContact O-N 2.91Å; E662-L666 WeakPolarHBondContact O-CB 3.29Å; L666-K668 VanDerWaalsContact C-N 3.27Å; L666-K668 PolarHBondContact O-N 2.83Å; L666-I669 PolarHBondContact O-N 3.19Å; L666-K670 WeakPolarHBondContact O-CG 3.11Å; L666-K670 PolarHBondContact O-N 2.89Å; L666-L688 HydrophobicContact CD1-CD1 4.02Å; L666-T699 HydrophobicContact CD2-CG2 3.43Å; L666-T699 VanDerWaalsContact CD2-CG2 3.43Å; L666-D703 HydrophobicContact CD2-CB 3.9Å; L666-V704 HydrophobicContact CD1-CG2 4.2Å; L666-V704 HydrophobicContact CD2-CG2 4.3Å
667	Q	86	Confident	81.2	Confident	104 Å²	104	57 Å²	57	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-40.7	173.8	-175.2	-178.2	13.4	0	0	111.1	I663 V665 K670 Q671	I663-Q667 WeakPolarHBondContact O-CB 3.5Å; V665-Q667 VanDerWaalsContact C-N 3.35Å; V665-Q667 PolarHBondContact O-N 3.08Å; Q667-K670 PolarHBondContact O-N 3.35Å; Q667-Q671 WeakPolarHBondContact O-CG 3.34Å; Q667-Q671 PolarHBondContact O-N 3.05Å
668	K	82.4	Confident	81.2	Confident	42 Å²	42	61.1 Å²	61.1	18%	0.183	30%	0.301	C	S	.	.	H	α-helix	trans	-69.8	-38	177.4	-74.3	-74.3	170.8	-166.2	0	113	L634 I664 V665 L666 K670 Q671 A672	L634-K668 HydrophobicContact CD1-CB 4.1Å; L634-K668 HydrophobicContact CD2-CB 4.25Å; L634-K668 HydrophobicContact CD2-CG 4.26Å; L634-K668 HydrophobicContact CG-CB 4.11Å; L634-K668 HydrophobicContact CG-CG 4.07Å; I664-K668 WeakPolarHBondContact O-CB 3.48Å; I664-K668 VanDerWaalsContact O-CG 3.28Å; I664-K668 WeakPolarHBondContact O-CG 3.4Å; I664-K668 PolarHBondContact O-N 3.46Å; I664-K668 VanDerWaalsContact O-N 3.1Å; V665-K668 CarbonylContact O-C 3.52Å; V665-K668 PolarHBondContact O-N 2.96Å; V665-K668 VanDerWaalsContact O-N 3.09Å; L666-K668 VanDerWaalsContact C-N 3.27Å; L666-K668 PolarHBondContact O-N 2.83Å; K668-K670 VanDerWaalsContact C-N 3.32Å; K668-K670 PolarHBondContact O-N 2.9Å; K668-Q671 PolarHBondContact O-N 3.5Å; K668-A672 WeakPolarHBondContact O-CB 3.39Å; K668-A672 PolarHBondContact O-N 3.49Å
669	I	84.1	Confident	81.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-45.4	172	-72.9	169.7	0	0	0	110.5	L646 V665 L666 A672 F673 C687 L688 I691 F707	L646-I669 HydrophobicContact CD2-CG1 3.98Å; V665-I669 HydrophobicContact CG1-CD1 3.83Å; V665-I669 HydrophobicContact CG1-CG1 4.34Å; V665-I669 WeakPolarHBondContact O-CG1 3.29Å; V665-I669 PolarHBondContact O-N 2.95Å; L666-I669 PolarHBondContact O-N 3.19Å; I669-A672 PolarHBondContact O-N 3.22Å; I669-F673 PolarHBondContact O-N 2.84Å; I669-C687 HydrophobicContact CD1-CB 4.41Å; I669-L688 HydrophobicContact CD1-CB 4.29Å; I669-L688 HydrophobicContact CG2-CB 4.32Å; I669-I691 HydrophobicContact CD1-CD1 3.61Å; I669-F707 HydrophobicContact CG2-CE1 4.08Å; I669-F707 HydrophobicContact CG2-CZ 4.19Å
670	K	84.3	Confident	81.1	Confident	55 Å²	55	60.2 Å²	60.2	24%	0.239	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-45.3	176.5	-70.1	178.7	178.8	-175.3	0	111.7	L666 Q667 K668 Q674 D703 F707	L666-K670 WeakPolarHBondContact O-CG 3.11Å; L666-K670 PolarHBondContact O-N 2.89Å; Q667-K670 PolarHBondContact O-N 3.35Å; K668-K670 VanDerWaalsContact C-N 3.32Å; K668-K670 PolarHBondContact O-N 2.9Å; K670-Q674 WeakPolarHBondContact O-CG 3.41Å; K670-Q674 PolarHBondContact O-N 3.3Å; K670-D703 VanDerWaalsContact NZ-CB 3.3Å; K670-D703 VanDerWaalsContact NZ-CG 3.34Å; K670-D703 IonicContact NZ-OD1 3.99Å; K670-D703 PolarHBondContact NZ-OD1 3.3Å; K670-F707 HydrophobicContact CB-CD2 4.45Å; K670-F707 HydrophobicContact CB-CE2 4.37Å; K670-F707 HydrophobicContact CG-CD2 3.82Å; K670-F707 HydrophobicContact CG-CE2 4.12Å; K670-F707 HydrophobicContact CG-CG 4.22Å
671	Q	81.8	Confident	81.1	Confident	58 Å²	58	59 Å²	59	27%	0.271	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.9	-72.7	175.1	-0.9	0	0	112.1	Q667 K668 F673 Q674 Y675	Q667-Q671 WeakPolarHBondContact O-CG 3.34Å; Q667-Q671 PolarHBondContact O-N 3.05Å; K668-Q671 PolarHBondContact O-N 3.5Å; Q671-F673 VanDerWaalsContact C-N 3.27Å; Q671-F673 PolarHBondContact O-N 2.68Å; Q671-Q674 WeakPolarHBondContact O-CB 3.22Å; Q671-Q674 PolarHBondContact O-N 3.47Å; Q671-Q674 VanDerWaalsContact O-N 3.14Å; Q671-Y675 WeakPolarHBondContact O-CD2 3.25Å; Q671-Y675 PolarHBondContact O-N 3.2Å
672	A	79.6	Confident	81.2	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-34.3	-178.4	0	0	0	0	0	112.1	L646 K668 I669 Y675 L680 S684	L646-A672 HydrophobicContact CD1-CB 4.35Å; K668-A672 WeakPolarHBondContact O-CB 3.39Å; K668-A672 PolarHBondContact O-N 3.49Å; I669-A672 PolarHBondContact O-N 3.22Å; A672-Y675 PolarHBondContact O-N 3.43Å; A672-L680 HydrophobicContact CB-CD1 3.94Å; A672-L680 HydrophobicContact CB-CD2 4Å; A672-L680 HydrophobicContact CB-CG 3.81Å; A672-L680 WeakPolarHBondContact O-CD2 3.32Å; A672-S684 WeakPolarHBondContact CB-OG 3.46Å
673	F	78.6	Confident	81.1	Confident	3 Å²	3	59 Å²	59	1%	0.013	28%	0.282	C	S	.	.	H	α-helix	trans	-72.2	-32	175.2	-165.2	-91.1	0	0	0	113.6	I669 Q671 Y675 Q681 L685 F707 V711 E714	I669-F673 PolarHBondContact O-N 2.84Å; Q671-F673 VanDerWaalsContact C-N 3.27Å; Q671-F673 PolarHBondContact O-N 2.68Å; F673-Y675 PolarHBondContact O-N 2.86Å; F673-Q681 HydrophobicContact CD2-CB 3.85Å; F673-Q681 HydrophobicContact CD2-CG 3.71Å; F673-Q681 HydrophobicContact CE2-CB 3.93Å; F673-Q681 HydrophobicContact CE2-CG 3.91Å; F673-Q681 HydrophobicContact CG-CG 4.2Å; F673-Q681 PolarHBondContact O-NE2 2.94Å; F673-L685 HydrophobicContact CD2-CG 4.38Å; F673-L685 HydrophobicContact CE2-CD1 4.07Å; F673-L685 HydrophobicContact CE2-CG 4.37Å; F673-F707 HydrophobicContact CB-CE2 3.85Å; F673-F707 HydrophobicContact CB-CZ 3.7Å; F673-F707 HydrophobicContact CD1-CE2 4.33Å; F673-F707 HydrophobicContact CD1-CZ 4.5Å; F673-F707 HydrophobicContact CD2-CZ 4.37Å; F673-F707 HydrophobicContact CG-CE2 4.14Å; F673-F707 AromaticContact CG-CZ 3.93Å; F673-F707 HydrophobicContact CG-CZ 3.93Å; F673-V711 HydrophobicContact CD1-CG2 3.91Å; F673-V711 HydrophobicContact CD2-CG2 4.08Å; F673-V711 HydrophobicContact CE1-CB 4.17Å; F673-V711 HydrophobicContact CE1-CG1 4.32Å; F673-V711 HydrophobicContact CE1-CG2 3.65Å; F673-V711 HydrophobicContact CE2-CB 4.36Å; F673-V711 HydrophobicContact CE2-CG1 3.78Å; F673-V711 HydrophobicContact CE2-CG2 3.85Å; F673-V711 HydrophobicContact CG-CG2 4.14Å; F673-V711 HydrophobicContact CZ-CB 3.91Å; F673-V711 HydrophobicContact CZ-CG1 3.56Å; F673-V711 HydrophobicContact CZ-CG2 3.64Å; F673-E714 VanDerWaalsContact CE1-OE2 3.31Å; F673-E714 WeakPolarHBondContact CE1-OE2 3.29Å
674	Q	78.6	Confident	81.2	Confident	151 Å²	151	53.7 Å²	53.7	71%	0.706	25%	0.254	S	S	*	.	H	α-helix	trans	-67.1	-24.2	176.9	-69.2	174.5	-20	0	0	112.8	K670 Q671 N676	K670-Q674 WeakPolarHBondContact O-CG 3.41Å; K670-Q674 PolarHBondContact O-N 3.3Å; Q671-Q674 WeakPolarHBondContact O-CB 3.22Å; Q671-Q674 PolarHBondContact O-N 3.47Å; Q671-Q674 VanDerWaalsContact O-N 3.14Å; Q674-N676 PolarHBondContact O-N 3.23Å
675	Y	74.7	Confident	81.4	Confident	126 Å²	126	51 Å²	51	49%	0.494	24%	0.241	S	C	.	.	S	Bend	trans	-71.8	126.3	168.9	-67.9	-74.1	0	0	0	109.1	Q671 A672 F673 N677 L680 Q681	Q671-Y675 WeakPolarHBondContact O-CD2 3.25Å; Q671-Y675 PolarHBondContact O-N 3.2Å; A672-Y675 PolarHBondContact O-N 3.43Å; F673-Y675 PolarHBondContact O-N 2.86Å; Y675-N677 PolarHBondContact O-N 3.28Å; Y675-L680 HydrophobicContact CD2-CD2 4.1Å; Y675-L680 HydrophobicContact CG-CD2 4.38Å; Y675-Q681 PolarHBondContact O-NE2 3.39Å
676	N	70.8	Confident	81.5	Confident	153 Å²	153	53.5 Å²	53.5	82%	0.818	25%	0.252	S	S	*	.			trans	-73.1	44.1	-178.5	-166.2	24.1	0	0	0	113	Q674	Q674-N676 PolarHBondContact O-N 3.23Å
677	N	79.6	Confident	81.4	Confident	47 Å²	47	53.4 Å²	53.4	25%	0.251	25%	0.251	S	S	.	.			trans	-113	113.1	177.2	-173.5	-38.3	0	0	0	109.7	Y675 Q679 L680 Q681	Y675-N677 PolarHBondContact O-N 3.28Å; N677-Q679 VanDerWaalsContact C-N 3.29Å; N677-Q679 PolarHBondContact O-N 3.04Å; N677-Q679 PolarHBondContact OD1-N 3.05Å; N677-L680 HydrophobicContact CB-CB 4.14Å; N677-L680 PolarHBondContact O-N 3.39Å; N677-Q681 WeakPolarHBondContact O-CG 3.5Å; N677-Q681 PolarHBondContact O-N 3.01Å
678	Q	79.6	Confident	81.5	Confident	138 Å²	138	48.5 Å²	48.5	65%	0.645	23%	0.228	S	C	*	.	H	α-helix	trans	-57.4	-37.4	-175.7	-67	179.8	-13.1	0	0	113.4	L682	Q678-L682 WeakPolarHBondContact O-CB 3.47Å; Q678-L682 PolarHBondContact O-N 3.22Å
679	Q	79.4	Confident	81.7	Confident	126 Å²	126	47.4 Å²	47.4	59%	0.589	23%	0.225	S	C	*	.	H	α-helix	trans	-71.3	-39.6	-179.4	-68.5	-177.1	-16.8	0	0	111.9	I643 N677 L682 A683	I643-Q679 HydrophobicContact CD1-CB 3.88Å; N677-Q679 VanDerWaalsContact C-N 3.29Å; N677-Q679 PolarHBondContact O-N 3.04Å; N677-Q679 PolarHBondContact OD1-N 3.05Å; Q679-L682 PolarHBondContact O-N 3.1Å; Q679-A683 WeakPolarHBondContact O-CB 3.29Å; Q679-A683 PolarHBondContact O-N 3.45Å
680	L	81.8	Confident	81.6	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-41.1	177	-177.6	62.9	0	0	0	111	I639 Q642 I643 L646 A672 Y675 N677 L682 A683 S684	I639-L680 HydrophobicContact CG2-CB 4.41Å; I639-L680 HydrophobicContact CG2-CD2 4.42Å; Q642-L680 HydrophobicContact CB-CD1 3.8Å; I643-L680 HydrophobicContact CD1-CB 4.42Å; I643-L680 HydrophobicContact CG1-CB 4.1Å; I643-L680 HydrophobicContact CG1-CD1 3.86Å; L646-L680 HydrophobicContact CD1-CD1 3.85Å; A672-L680 HydrophobicContact CB-CD1 3.94Å; A672-L680 HydrophobicContact CB-CD2 4Å; A672-L680 HydrophobicContact CB-CG 3.81Å; A672-L680 WeakPolarHBondContact O-CD2 3.32Å; Y675-L680 HydrophobicContact CD2-CD2 4.1Å; Y675-L680 HydrophobicContact CG-CD2 4.38Å; N677-L680 HydrophobicContact CB-CB 4.14Å; N677-L680 PolarHBondContact O-N 3.39Å; L680-L682 VanDerWaalsContact C-N 3.34Å; L680-L682 PolarHBondContact O-N 3.33Å; L680-A683 PolarHBondContact O-N 2.9Å; L680-S684 VanDerWaalsContact O-CB 3.29Å; L680-S684 WeakPolarHBondContact O-CB 2.94Å; L680-S684 PolarHBondContact O-N 3.18Å; L680-S684 PolarHBondContact O-OG 3.05Å
681	Q	83.7	Confident	81.6	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-45.9	173.4	-74	176	-16.7	0	0	111.5	F673 Y675 N677 S684 L685	F673-Q681 HydrophobicContact CD2-CB 3.85Å; F673-Q681 HydrophobicContact CD2-CG 3.71Å; F673-Q681 HydrophobicContact CE2-CB 3.93Å; F673-Q681 HydrophobicContact CE2-CG 3.91Å; F673-Q681 HydrophobicContact CG-CG 4.2Å; F673-Q681 PolarHBondContact O-NE2 2.94Å; Y675-Q681 PolarHBondContact O-NE2 3.39Å; N677-Q681 WeakPolarHBondContact O-CG 3.5Å; N677-Q681 PolarHBondContact O-N 3.01Å; Q681-S684 PolarHBondContact O-N 3.48Å; Q681-L685 WeakPolarHBondContact O-CG 3.46Å; Q681-L685 PolarHBondContact O-N 3.43Å
682	L	82.9	Confident	81.7	Confident	43 Å²	43	43.6 Å²	43.6	23%	0.225	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-49.5	177.6	-174.6	143.1	0	0	0	112.3	Q678 Q679 L680 S684 L685 H686 E754	Q678-L682 WeakPolarHBondContact O-CB 3.47Å; Q678-L682 PolarHBondContact O-N 3.22Å; Q679-L682 PolarHBondContact O-N 3.1Å; L680-L682 VanDerWaalsContact C-N 3.34Å; L680-L682 PolarHBondContact O-N 3.33Å; L682-S684 PolarHBondContact O-N 3.11Å; L682-L685 PolarHBondContact O-N 2.62Å; L682-H686 WeakPolarHBondContact O-CB 3.49Å; L682-H686 PolarHBondContact O-N 3.07Å; L682-E754 HydrophobicContact CD1-CB 4.44Å; L682-E754 WeakPolarHBondContact CD1-O 3.46Å
683	A	81.8	Confident	81.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-37	177.4	0	0	0	0	0	111.9	I643 L646 N647 Q679 L680 C687	I643-A683 HydrophobicContact CG2-CB 4.2Å; L646-A683 HydrophobicContact CB-CB 4.22Å; L646-A683 HydrophobicContact CD1-CB 4.45Å; N647-A683 VanDerWaalsContact OD1-CB 3.26Å; N647-A683 WeakPolarHBondContact OD1-CB 3.4Å; Q679-A683 WeakPolarHBondContact O-CB 3.29Å; Q679-A683 PolarHBondContact O-N 3.45Å; L680-A683 PolarHBondContact O-N 2.9Å; A683-C687 WeakPolarHBondContact O-CB 3.44Å; A683-C687 PolarHBondContact O-N 2.9Å
684	S	85	Confident	82	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-43.2	177.7	-56.7	0	0	0	0	112.4	L646 A672 L680 Q681 L682 L688	L646-S684 WeakPolarHBondContact CD1-OG 3.49Å; A672-S684 WeakPolarHBondContact CB-OG 3.46Å; L680-S684 VanDerWaalsContact O-CB 3.29Å; L680-S684 WeakPolarHBondContact O-CB 2.94Å; L680-S684 PolarHBondContact O-N 3.18Å; L680-S684 PolarHBondContact O-OG 3.05Å; Q681-S684 PolarHBondContact O-N 3.48Å; L682-S684 PolarHBondContact O-N 3.11Å; S684-L688 WeakPolarHBondContact O-CB 3.36Å; S684-L688 PolarHBondContact O-N 3.35Å
685	L	85.6	Confident	82.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-43.9	176.9	-71.2	175.6	0	0	0	111.4	F673 Q681 L682 C687 L688 V689 F707 L708 V711 P756 E759	F673-L685 HydrophobicContact CD2-CG 4.38Å; F673-L685 HydrophobicContact CE2-CD1 4.07Å; F673-L685 HydrophobicContact CE2-CG 4.37Å; Q681-L685 WeakPolarHBondContact O-CG 3.46Å; Q681-L685 PolarHBondContact O-N 3.43Å; L682-L685 PolarHBondContact O-N 2.62Å; L685-C687 VanDerWaalsContact C-N 3.35Å; L685-C687 PolarHBondContact O-N 3.43Å; L685-L688 WeakPolarHBondContact O-CB 3.44Å; L685-L688 PolarHBondContact O-N 3.07Å; L685-L688 VanDerWaalsContact O-N 3.14Å; L685-V689 VanDerWaalsContact O-CG2 3.3Å; L685-V689 WeakPolarHBondContact O-CG2 3.4Å; L685-V689 PolarHBondContact O-N 3.43Å; L685-F707 HydrophobicContact CD2-CE1 4.28Å; L685-L708 HydrophobicContact CD2-CD2 4.44Å; L685-V711 HydrophobicContact CD1-CG1 4.21Å; L685-V711 HydrophobicContact CD2-CG1 4.27Å; L685-V711 HydrophobicContact CD2-CG2 4.3Å; L685-P756 HydrophobicContact CD1-CB 4.04Å; L685-E759 HydrophobicContact CB-CB 3.79Å; L685-E759 HydrophobicContact CD1-CB 4.47Å
686	H	85.8	Confident	82.9	Confident	57 Å²	57	42.6 Å²	42.6	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-48.2	175.4	-172.3	78.2	0	0	0	111.2	E650 L682 L688 V689 T690 E759	E650-H686 IonicContact OE2-NE2 3.63Å; E650-H686 PolarHBondContact OE2-NE2 2.86Å; L682-H686 WeakPolarHBondContact O-CB 3.49Å; L682-H686 PolarHBondContact O-N 3.07Å; H686-L688 VanDerWaalsContact C-N 3.3Å; H686-L688 PolarHBondContact O-N 3.19Å; H686-V689 WeakPolarHBondContact O-CB 3.19Å; H686-V689 PolarHBondContact O-N 3.41Å; H686-T690 PolarHBondContact O-N 2.92Å; H686-T690 PolarHBondContact O-OG1 3.3Å; H686-E759 HydrophobicContact CB-CG 4.49Å; H686-E759 IonicContact CE1-OE1 2.72Å; H686-E759 IonicContact CG-OE1 3.48Å; H686-E759 IonicContact ND1-OE1 2.72Å; H686-E759 PolarHBondContact ND1-OE1 3.38Å; H686-E759 IonicContact ND1-OE2 2.7Å
687	C	84.4	Confident	83.6	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-42.4	174.5	-171.7	0	0	0	0	111.8	L646 L649 I669 A683 L685 T690 I691	L646-C687 HydrophobicContact CB-CB 4.19Å; L646-C687 HydrophobicContact CD2-CB 4.11Å; L649-C687 VanDerWaalsContact CD2-SG 3.54Å; I669-C687 HydrophobicContact CD1-CB 4.41Å; A683-C687 WeakPolarHBondContact O-CB 3.44Å; A683-C687 PolarHBondContact O-N 2.9Å; L685-C687 VanDerWaalsContact C-N 3.35Å; L685-C687 PolarHBondContact O-N 3.43Å; C687-T690 PolarHBondContact O-N 2.97Å; C687-I691 WeakPolarHBondContact O-CG1 3.46Å; C687-I691 PolarHBondContact O-N 3.06Å; C687-I691 VanDerWaalsContact O-N 3.1Å
688	L	86.9	Confident	83.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-52.8	176	-177.4	60.3	0	0	0	110.8	L666 I669 S684 L685 H686 T690 I691 L692 V704 F707 L708	L666-L688 HydrophobicContact CD1-CD1 4.02Å; I669-L688 HydrophobicContact CD1-CB 4.29Å; I669-L688 HydrophobicContact CG2-CB 4.32Å; S684-L688 WeakPolarHBondContact O-CB 3.36Å; S684-L688 PolarHBondContact O-N 3.35Å; L685-L688 WeakPolarHBondContact O-CB 3.44Å; L685-L688 PolarHBondContact O-N 3.07Å; L685-L688 VanDerWaalsContact O-N 3.14Å; H686-L688 VanDerWaalsContact C-N 3.3Å; H686-L688 PolarHBondContact O-N 3.19Å; L688-T690 PolarHBondContact O-N 3.38Å; L688-T690 VanDerWaalsContact O-N 3.15Å; L688-I691 HydrophobicContact CD1-CD1 4.07Å; L688-I691 HydrophobicContact CD1-CG1 4.12Å; L688-I691 WeakPolarHBondContact O-CG1 3.25Å; L688-I691 PolarHBondContact O-N 2.62Å; L688-L692 HydrophobicContact CD1-CD2 4.06Å; L688-L692 HydrophobicContact CD1-CG 4.49Å; L688-L692 HydrophobicContact CG-CD2 4.25Å; L688-L692 HydrophobicContact CG-CG 4.37Å; L688-L692 VanDerWaalsContact O-CG 3.28Å; L688-L692 WeakPolarHBondContact O-CG 3.48Å; L688-L692 PolarHBondContact O-N 3.46Å; L688-V704 HydrophobicContact CD1-CG1 4.39Å; L688-V704 HydrophobicContact CD1-CG2 4.48Å; L688-V704 HydrophobicContact CD2-CG1 4.42Å; L688-F707 HydrophobicContact CD2-CD1 3.86Å; L688-F707 HydrophobicContact CD2-CE1 3.78Å; L688-L708 HydrophobicContact CD2-CD2 3.74Å; L688-L708 HydrophobicContact CD2-CG 4.44Å
689	V	86.2	Confident	84.2	Confident	20 Å²	20	33 Å²	33	12%	0.121	18%	0.176	C	C	.	.	H	α-helix	trans	-49.1	-44.4	180	174.8	0	0	0	0	111.3	L685 H686 N762 A763 Q766	L685-V689 VanDerWaalsContact O-CG2 3.3Å; L685-V689 WeakPolarHBondContact O-CG2 3.4Å; L685-V689 PolarHBondContact O-N 3.43Å; H686-V689 WeakPolarHBondContact O-CB 3.19Å; H686-V689 PolarHBondContact O-N 3.41Å; V689-N762 HydrophobicContact CG1-CB 4.29Å; V689-N762 HydrophobicContact CG2-CB 4.14Å; V689-A763 HydrophobicContact CG2-CB 3.79Å; V689-Q766 HydrophobicContact CG1-CB 4.44Å
690	T	82.7	Confident	84.4	Confident	32 Å²	32	27 Å²	27	20%	0.196	15%	0.148	C	C	.	.	H	α-helix	trans	-68.6	-45	-179.9	-51.9	0	0	0	0	112.5	E650 V653 H686 C687 L688 L692 T693	E650-T690 HydrophobicContact CB-CG2 3.87Å; E650-T690 HydrophobicContact CG-CG2 3.64Å; V653-T690 HydrophobicContact CG2-CG2 4.32Å; H686-T690 PolarHBondContact O-N 2.92Å; H686-T690 PolarHBondContact O-OG1 3.3Å; C687-T690 PolarHBondContact O-N 2.97Å; L688-T690 PolarHBondContact O-N 3.38Å; L688-T690 VanDerWaalsContact O-N 3.15Å; T690-L692 VanDerWaalsContact C-N 3.34Å; T690-L692 PolarHBondContact O-N 2.99Å; T690-T693 PolarHBondContact O-OG1 3.04Å
691	I	84.3	Confident	84.6	Confident	1 Å²	1	30 Å²	30	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-74.6	-21	-177.7	66.7	171.5	0	0	0	113.4	V653 L661 V665 I669 C687 L688 T693 R694 L695	V653-I691 HydrophobicContact CG2-CG2 4.11Å; L661-I691 HydrophobicContact CD2-CG2 4.23Å; V665-I691 HydrophobicContact CG1-CD1 4.19Å; I669-I691 HydrophobicContact CD1-CD1 3.61Å; C687-I691 WeakPolarHBondContact O-CG1 3.46Å; C687-I691 PolarHBondContact O-N 3.06Å; C687-I691 VanDerWaalsContact O-N 3.1Å; L688-I691 HydrophobicContact CD1-CD1 4.07Å; L688-I691 HydrophobicContact CD1-CG1 4.12Å; L688-I691 WeakPolarHBondContact O-CG1 3.25Å; L688-I691 PolarHBondContact O-N 2.62Å; I691-T693 PolarHBondContact O-N 3.5Å; I691-R694 PolarHBondContact O-N 3.18Å; I691-L695 HydrophobicContact CD1-CD1 4.31Å; I691-L695 HydrophobicContact CD1-CD2 4.44Å; I691-L695 HydrophobicContact CG1-CD1 4.3Å; I691-L695 PolarHBondContact O-N 3.31Å
692	L	84.3	Confident	84.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-36.1	-177.4	-77.6	175.2	0	0	0	113.4	L688 T690 R694 L695 V704 A763 Q766 L767	L688-L692 HydrophobicContact CD1-CD2 4.06Å; L688-L692 HydrophobicContact CD1-CG 4.49Å; L688-L692 HydrophobicContact CG-CD2 4.25Å; L688-L692 HydrophobicContact CG-CG 4.37Å; L688-L692 VanDerWaalsContact O-CG 3.28Å; L688-L692 WeakPolarHBondContact O-CG 3.48Å; L688-L692 PolarHBondContact O-N 3.46Å; T690-L692 VanDerWaalsContact C-N 3.34Å; T690-L692 PolarHBondContact O-N 2.99Å; L692-R694 PolarHBondContact O-N 2.86Å; L692-L695 HydrophobicContact CD2-CD1 4.45Å; L692-V704 HydrophobicContact CD2-CG1 3.49Å; L692-V704 VanDerWaalsContact CD2-CG1 3.49Å; L692-V704 HydrophobicContact CD2-CG2 4.44Å; L692-A763 HydrophobicContact CD1-CB 4.14Å; L692-Q766 HydrophobicContact CB-CG 4.35Å; L692-Q766 HydrophobicContact CD1-CB 4.06Å; L692-Q766 HydrophobicContact CD1-CG 4.3Å; L692-L767 HydrophobicContact CD1-CG 4.13Å; L692-L767 HydrophobicContact CD2-CD2 4.16Å; L692-L767 HydrophobicContact CD2-CG 4.45Å
693	T	82.6	Confident	84.9	Confident	68 Å²	68	35.4 Å²	35.4	42%	0.417	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.1	-179.3	63.3	0	0	0	0	113.8	T690 I691 Q766 T770	T690-T693 PolarHBondContact O-OG1 3.04Å; I691-T693 PolarHBondContact O-N 3.5Å; T693-Q766 HydrophobicContact CG2-CG 4.33Å; T693-T770 HydrophobicContact CG2-CG2 4.22Å
694	R	81.7	Confident	85.2	Confident	144 Å²	144	35.3 Å²	35.3	54%	0.543	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-16	-172.7	-61.3	-123.9	66.8	128.7	0.1	114.2	V653 L661 I691 L692	V653-R694 HydrophobicContact CG1-CG 3.94Å; L661-R694 HydrophobicContact CD1-CB 4.41Å; I691-R694 PolarHBondContact O-N 3.18Å; L692-R694 PolarHBondContact O-N 2.86Å
695	L	86.3	Confident	85.3	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.016	20%	0.197	C	C	.	.	S	Bend	trans	-70.6	150.9	-179.8	-60.7	176.7	0	0	0	111.3	L661 E662 I691 L692 I700 V704 K771	L661-L695 HydrophobicContact CB-CD2 4.34Å; E662-L695 HydrophobicContact CG-CD2 3.75Å; I691-L695 HydrophobicContact CD1-CD1 4.31Å; I691-L695 HydrophobicContact CD1-CD2 4.44Å; I691-L695 HydrophobicContact CG1-CD1 4.3Å; I691-L695 PolarHBondContact O-N 3.31Å; L692-L695 HydrophobicContact CD2-CD1 4.45Å; L695-I700 HydrophobicContact CB-CD1 4.17Å; L695-I700 HydrophobicContact CB-CG1 3.92Å; L695-I700 HydrophobicContact CD1-CG1 4.5Å; L695-V704 HydrophobicContact CD1-CG2 3.81Å; L695-K771 PolarHBondContact O-NZ 3.45Å
696	S	86	Confident	85.3	Confident	44 Å²	44	38.9 Å²	38.9	31%	0.308	22%	0.217	S	C	.	.			trans	-70.7	156.5	173.9	69.8	0	0	0	0	112	E662 A698 T699 I700	E662-S696 WeakPolarHBondContact OE1-CB 3.49Å; E662-S696 PolarHBondContact OE1-N 3.2Å; E662-S696 PolarHBondContact OE1-OG 2.83Å; S696-A698 VanDerWaalsContact C-N 3.27Å; S696-A698 PolarHBondContact O-N 2.63Å; S696-T699 PolarHBondContact O-N 2.83Å; S696-T699 PolarHBondContact OG-N 3.46Å; S696-T699 PolarHBondContact OG-OG1 2.76Å; S696-I700 WeakPolarHBondContact O-CG1 3.37Å; S696-I700 PolarHBondContact O-N 3.27Å
697	D	85.7	Confident	85.5	Confident	61 Å²	61	37 Å²	37	33%	0.326	21%	0.209	S	C	.	.	H	α-helix	trans	-62.9	-36.2	-178	-68.9	5.6	0	0	0	111.7	I700 V701 K771 Y773 L774	D697-I700 PolarHBondContact O-N 3.46Å; D697-V701 WeakPolarHBondContact O-CG2 3.38Å; D697-V701 PolarHBondContact O-N 3.3Å; D697-K771 WeakPolarHBondContact OD1-CD 3.47Å; D697-K771 WeakPolarHBondContact OD1-CE 3.47Å; D697-K771 IonicContact OD1-NZ 2.78Å; D697-K771 PolarHBondContact OD1-NZ 2.92Å; D697-Y773 PolarHBondContact OD1-OH 3.01Å; D697-Y773 WeakPolarHBondContact OD2-CE2 3.23Å; D697-Y773 PolarHBondContact OD2-OH 2.87Å; D697-L774 HydrophobicContact CB-CD1 4.01Å; D697-L774 HydrophobicContact CB-CD2 4.02Å
698	A	84.5	Confident	85.6	Confident	59 Å²	59	37 Å²	37	49%	0.488	21%	0.208	S	C	.	.	H	α-helix	trans	-62.5	-46.7	176.2	0	0	0	0	0	111.9	S696 I700 V701 N702	S696-A698 VanDerWaalsContact C-N 3.27Å; S696-A698 PolarHBondContact O-N 2.63Å; A698-I700 VanDerWaalsContact C-N 3.33Å; A698-I700 PolarHBondContact O-N 2.89Å; A698-V701 PolarHBondContact O-N 3.01Å; A698-N702 VanDerWaalsContact O-CB 3.27Å; A698-N702 WeakPolarHBondContact O-CB 3.19Å; A698-N702 VanDerWaalsContact O-CG 3.24Å; A698-N702 PolarHBondContact O-N 2.86Å; A698-N702 PolarHBondContact O-ND2 2.87Å; A698-N702 VanDerWaalsContact O-ND2 3.14Å
699	T	86	Confident	85.6	Confident	16 Å²	16	38 Å²	38	10%	0.098	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-37.6	178.2	-52.9	0	0	0	0	111.2	E662 L666 S696 D703 V704	E662-T699 HydrophobicContact CB-CG2 4.36Å; E662-T699 VanDerWaalsContact CD-OG1 3.24Å; E662-T699 HydrophobicContact CG-CG2 4.09Å; E662-T699 PolarHBondContact OE1-OG1 3.32Å; L666-T699 HydrophobicContact CD2-CG2 3.43Å; L666-T699 VanDerWaalsContact CD2-CG2 3.43Å; S696-T699 PolarHBondContact O-N 2.83Å; S696-T699 PolarHBondContact OG-N 3.46Å; S696-T699 PolarHBondContact OG-OG1 2.76Å; T699-D703 HydrophobicContact CG2-CB 4.19Å; T699-D703 WeakPolarHBondContact O-CA 3.23Å; T699-D703 VanDerWaalsContact O-CB 3.24Å; T699-D703 WeakPolarHBondContact O-CB 3.43Å; T699-D703 PolarHBondContact O-N 2.93Å; T699-V704 PolarHBondContact O-N 3.17Å
700	I	85.3	Confident	85.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-64	-47.8	177.8	-68.7	171.8	0	0	0	111.2	L695 S696 D697 A698 V704 I705 L767 K771 L774	L695-I700 HydrophobicContact CB-CD1 4.17Å; L695-I700 HydrophobicContact CB-CG1 3.92Å; L695-I700 HydrophobicContact CD1-CG1 4.5Å; S696-I700 WeakPolarHBondContact O-CG1 3.37Å; S696-I700 PolarHBondContact O-N 3.27Å; D697-I700 PolarHBondContact O-N 3.46Å; A698-I700 VanDerWaalsContact C-N 3.33Å; A698-I700 PolarHBondContact O-N 2.89Å; I700-V704 HydrophobicContact CG1-CG2 4.36Å; I700-V704 HydrophobicContact CG2-CB 4.48Å; I700-V704 WeakPolarHBondContact O-CB 3.42Å; I700-V704 PolarHBondContact O-N 2.91Å; I700-I705 HydrophobicContact CG2-CD1 4.42Å; I700-I705 HydrophobicContact CG2-CG1 4.28Å; I700-I705 WeakPolarHBondContact O-CG1 3.43Å; I700-I705 PolarHBondContact O-N 3.2Å; I700-L767 HydrophobicContact CD1-CD2 4.32Å; I700-L767 HydrophobicContact CG2-CD2 3.6Å; I700-K771 HydrophobicContact CD1-CD 3.56Å; I700-K771 VanDerWaalsContact CD1-NZ 3.29Å; I700-L774 HydrophobicContact CB-CD1 4.24Å; I700-L774 HydrophobicContact CD1-CD1 4.46Å; I700-L774 HydrophobicContact CG2-CD1 4.04Å
701	V	84.7	Confident	85.6	Confident	63 Å²	63	39.2 Å²	39.2	38%	0.382	22%	0.218	S	C	.	.	I	π-helix	trans	-67	-44.9	-178.8	174.2	0	0	0	0	111.7	D697 A698 P706 L774	D697-V701 WeakPolarHBondContact O-CG2 3.38Å; D697-V701 PolarHBondContact O-N 3.3Å; A698-V701 PolarHBondContact O-N 3.01Å; V701-P706 WeakPolarHBondContact O-CD 3.22Å; V701-L774 HydrophobicContact CG2-CB 4.26Å; V701-L774 HydrophobicContact CG2-CD1 4.42Å; V701-L774 HydrophobicContact CG2-CD2 4.04Å; V701-L774 HydrophobicContact CG2-CG 4.48Å
702	N	86.1	Confident	85.5	Confident	111 Å²	111	39.2 Å²	39.2	59%	0.594	22%	0.218	S	C	*	.	I	π-helix	trans	-84.2	-32.7	-171.9	-64	-29.3	0	0	0	113.4	A698 P706	A698-N702 VanDerWaalsContact O-CB 3.27Å; A698-N702 WeakPolarHBondContact O-CB 3.19Å; A698-N702 VanDerWaalsContact O-CG 3.24Å; A698-N702 PolarHBondContact O-N 2.86Å; A698-N702 PolarHBondContact O-ND2 2.87Å; A698-N702 VanDerWaalsContact O-ND2 3.14Å; N702-P706 WeakPolarHBondContact O-CG 3.47Å
703	D	86.4	Confident	85.3	Confident	61 Å²	61	42.2 Å²	42.2	33%	0.326	24%	0.235	S	C	.	.	I	π-helix	trans	-116.5	-43.5	-169.4	-74.6	-58.6	0	0	0	114	L666 K670 T699 F707	L666-D703 HydrophobicContact CD2-CB 3.9Å; K670-D703 VanDerWaalsContact NZ-CB 3.3Å; K670-D703 VanDerWaalsContact NZ-CG 3.34Å; K670-D703 IonicContact NZ-OD1 3.99Å; K670-D703 PolarHBondContact NZ-OD1 3.3Å; T699-D703 HydrophobicContact CG2-CB 4.19Å; T699-D703 WeakPolarHBondContact O-CA 3.23Å; T699-D703 VanDerWaalsContact O-CB 3.24Å; T699-D703 WeakPolarHBondContact O-CB 3.43Å; T699-D703 PolarHBondContact O-N 2.93Å; D703-F707 WeakPolarHBondContact O-CB 3.45Å; D703-F707 PolarHBondContact O-N 2.81Å
704	V	88.3	Confident	84.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-80	-49.7	-173.1	176.5	0	0	0	0	111.5	L666 L688 L692 L695 T699 I700 F707 L708	L666-V704 HydrophobicContact CD1-CG2 4.2Å; L666-V704 HydrophobicContact CD2-CG2 4.3Å; L688-V704 HydrophobicContact CD1-CG1 4.39Å; L688-V704 HydrophobicContact CD1-CG2 4.48Å; L688-V704 HydrophobicContact CD2-CG1 4.42Å; L692-V704 HydrophobicContact CD2-CG1 3.49Å; L692-V704 VanDerWaalsContact CD2-CG1 3.49Å; L692-V704 HydrophobicContact CD2-CG2 4.44Å; L695-V704 HydrophobicContact CD1-CG2 3.81Å; T699-V704 PolarHBondContact O-N 3.17Å; I700-V704 HydrophobicContact CG1-CG2 4.36Å; I700-V704 HydrophobicContact CG2-CB 4.48Å; I700-V704 WeakPolarHBondContact O-CB 3.42Å; I700-V704 PolarHBondContact O-N 2.91Å; V704-F707 WeakPolarHBondContact O-CB 3.44Å; V704-F707 PolarHBondContact O-N 2.98Å; V704-F707 VanDerWaalsContact O-N 3.14Å; V704-L708 HydrophobicContact CG1-CD1 4.04Å; V704-L708 HydrophobicContact CG1-CG 4.24Å; V704-L708 WeakPolarHBondContact O-CG 3.46Å; V704-L708 PolarHBondContact O-N 2.73Å
705	I	87.3	Confident	84.5	Confident	10 Å²	10	36.3 Å²	36.3	5%	0.051	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-50.3	-178.7	-72.2	177.2	0	0	0	110.8	I700 F707 L708 L709 W764 L775 L779	I700-I705 HydrophobicContact CG2-CD1 4.42Å; I700-I705 HydrophobicContact CG2-CG1 4.28Å; I700-I705 WeakPolarHBondContact O-CG1 3.43Å; I700-I705 PolarHBondContact O-N 3.2Å; I705-F707 VanDerWaalsContact C-N 3.26Å; I705-F707 PolarHBondContact O-N 3.01Å; I705-L708 PolarHBondContact O-N 3.01Å; I705-L709 HydrophobicContact CG2-CD1 4.25Å; I705-L709 WeakPolarHBondContact O-CG 3.38Å; I705-L709 PolarHBondContact O-N 3.42Å; I705-L709 VanDerWaalsContact O-N 3.07Å; I705-W764 HydrophobicContact CG2-CH2 4.42Å; I705-L775 HydrophobicContact CD1-CD2 3.76Å; I705-L775 HydrophobicContact CG1-CD2 4.33Å; I705-L779 HydrophobicContact CD1-CD2 4.41Å; I705-L779 HydrophobicContact CG2-CD2 3.69Å
706	P	86.9	Confident	83.6	Confident	65 Å²	65	38.4 Å²	38.4	42%	0.422	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-36	175.9	-27	38	0	0	0	113	V701 N702 L709 N710	V701-P706 WeakPolarHBondContact O-CD 3.22Å; N702-P706 WeakPolarHBondContact O-CG 3.47Å; P706-L709 PolarHBondContact O-N 3.3Å; P706-N710 PolarHBondContact O-N 3.2Å
707	F	88.4	Confident	82.1	Confident	19 Å²	19	41.1 Å²	41.1	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-47.9	176.3	173	-106	0	0	0	112.4	I669 K670 F673 L685 L688 D703 V704 I705 L709 N710 V711	I669-F707 HydrophobicContact CG2-CE1 4.08Å; I669-F707 HydrophobicContact CG2-CZ 4.19Å; K670-F707 HydrophobicContact CB-CD2 4.45Å; K670-F707 HydrophobicContact CB-CE2 4.37Å; K670-F707 HydrophobicContact CG-CD2 3.82Å; K670-F707 HydrophobicContact CG-CE2 4.12Å; K670-F707 HydrophobicContact CG-CG 4.22Å; F673-F707 HydrophobicContact CB-CE2 3.85Å; F673-F707 HydrophobicContact CB-CZ 3.7Å; F673-F707 HydrophobicContact CD1-CE2 4.33Å; F673-F707 HydrophobicContact CD1-CZ 4.5Å; F673-F707 HydrophobicContact CD2-CZ 4.37Å; F673-F707 HydrophobicContact CG-CE2 4.14Å; F673-F707 AromaticContact CG-CZ 3.93Å; F673-F707 HydrophobicContact CG-CZ 3.93Å; L685-F707 HydrophobicContact CD2-CE1 4.28Å; L688-F707 HydrophobicContact CD2-CD1 3.86Å; L688-F707 HydrophobicContact CD2-CE1 3.78Å; D703-F707 WeakPolarHBondContact O-CB 3.45Å; D703-F707 PolarHBondContact O-N 2.81Å; V704-F707 WeakPolarHBondContact O-CB 3.44Å; V704-F707 PolarHBondContact O-N 2.98Å; V704-F707 VanDerWaalsContact O-N 3.14Å; I705-F707 VanDerWaalsContact C-N 3.26Å; I705-F707 PolarHBondContact O-N 3.01Å; F707-L709 VanDerWaalsContact C-N 3.28Å; F707-L709 PolarHBondContact O-N 2.99Å; F707-N710 WeakPolarHBondContact O-CB 3.23Å; F707-N710 PolarHBondContact O-N 2.7Å; F707-N710 VanDerWaalsContact O-N 3.12Å; F707-V711 HydrophobicContact CD1-CG2 4.35Å; F707-V711 HydrophobicContact CD2-CG2 4.44Å; F707-V711 HydrophobicContact CE1-CG2 3.95Å; F707-V711 HydrophobicContact CE2-CG2 4.05Å; F707-V711 HydrophobicContact CZ-CG2 3.79Å; F707-V711 VanDerWaalsContact O-CG2 3.31Å; F707-V711 WeakPolarHBondContact O-CG2 3.45Å; F707-V711 PolarHBondContact O-N 2.87Å
708	L	87.8	Confident	80.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-34.3	178	-68	179	0	0	0	112.5	L685 L688 V704 I705 V711 S712 L760 A763 W764 L767	L685-L708 HydrophobicContact CD2-CD2 4.44Å; L688-L708 HydrophobicContact CD2-CD2 3.74Å; L688-L708 HydrophobicContact CD2-CG 4.44Å; V704-L708 HydrophobicContact CG1-CD1 4.04Å; V704-L708 HydrophobicContact CG1-CG 4.24Å; V704-L708 WeakPolarHBondContact O-CG 3.46Å; V704-L708 PolarHBondContact O-N 2.73Å; I705-L708 PolarHBondContact O-N 3.01Å; L708-V711 PolarHBondContact O-N 3.23Å; L708-S712 PolarHBondContact O-N 3.13Å; L708-L760 HydrophobicContact CB-CD1 4.25Å; L708-L760 HydrophobicContact CD2-CD1 3.96Å; L708-A763 HydrophobicContact CD1-CB 4.05Å; L708-A763 HydrophobicContact CD2-CB 3.94Å; L708-W764 HydrophobicContact CB-CH2 3.99Å; L708-W764 HydrophobicContact CB-CZ2 3.49Å; L708-W764 VanDerWaalsContact CB-CZ2 3.49Å; L708-W764 HydrophobicContact CD1-CD2 4.34Å; L708-W764 HydrophobicContact CD1-CE3 4.4Å; L708-W764 HydrophobicContact CD1-CH2 4.27Å; L708-W764 HydrophobicContact CD1-CZ2 4.21Å; L708-W764 HydrophobicContact CD1-CZ3 4.36Å; L708-L767 HydrophobicContact CD1-CD1 3.78Å
709	L	85.6	Confident	79.1	Confident	22 Å²	22	42.5 Å²	42.5	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-42	172.7	-69.5	176.8	0	0	0	111.8	I705 P706 F707 V711 S712 N713 W764 L779 E783 I784	I705-L709 HydrophobicContact CG2-CD1 4.25Å; I705-L709 WeakPolarHBondContact O-CG 3.38Å; I705-L709 PolarHBondContact O-N 3.42Å; I705-L709 VanDerWaalsContact O-N 3.07Å; P706-L709 PolarHBondContact O-N 3.3Å; F707-L709 VanDerWaalsContact C-N 3.28Å; F707-L709 PolarHBondContact O-N 2.99Å; L709-V711 VanDerWaalsContact C-N 3.35Å; L709-V711 PolarHBondContact O-N 3.16Å; L709-S712 WeakPolarHBondContact O-CB 3.1Å; L709-S712 PolarHBondContact O-N 3.3Å; L709-N713 PolarHBondContact O-N 2.96Å; L709-N713 PolarHBondContact O-ND2 2.89Å; L709-W764 HydrophobicContact CD2-CH2 4.26Å; L709-W764 HydrophobicContact CD2-CZ2 3.99Å; L709-W764 HydrophobicContact CG-CH2 4.37Å; L709-W764 HydrophobicContact CG-CZ2 4.33Å; L709-L779 HydrophobicContact CD1-CD1 4.13Å; L709-E783 HydrophobicContact CD1-CB 4.09Å; L709-E783 HydrophobicContact CD1-CG 4.38Å; L709-E783 HydrophobicContact CD2-CB 3.71Å; L709-I784 HydrophobicContact CD2-CG1 3.89Å
710	N	85.5	Confident	77.1	Confident	76 Å²	76	46.8 Å²	46.8	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-45.9	173.6	-173	64.4	0	0	0	111.5	P706 F707 S712 N713 E714	P706-N710 PolarHBondContact O-N 3.2Å; F707-N710 WeakPolarHBondContact O-CB 3.23Å; F707-N710 PolarHBondContact O-N 2.7Å; F707-N710 VanDerWaalsContact O-N 3.12Å; N710-S712 VanDerWaalsContact C-N 3.33Å; N710-S712 PolarHBondContact O-N 3.38Å; N710-N713 PolarHBondContact O-N 2.6Å; N710-N713 VanDerWaalsContact O-N 3.12Å; N710-E714 PolarHBondContact ND2-OE1 3.28Å; N710-E714 PolarHBondContact O-N 3.3Å
711	V	84.1	Confident	75	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-46.3	175.2	171.1	0	0	0	0	111	F673 L685 F707 L708 L709 N713 E714 L715 L760	F673-V711 HydrophobicContact CD1-CG2 3.91Å; F673-V711 HydrophobicContact CD2-CG2 4.08Å; F673-V711 HydrophobicContact CE1-CB 4.17Å; F673-V711 HydrophobicContact CE1-CG1 4.32Å; F673-V711 HydrophobicContact CE1-CG2 3.65Å; F673-V711 HydrophobicContact CE2-CB 4.36Å; F673-V711 HydrophobicContact CE2-CG1 3.78Å; F673-V711 HydrophobicContact CE2-CG2 3.85Å; F673-V711 HydrophobicContact CG-CG2 4.14Å; F673-V711 HydrophobicContact CZ-CB 3.91Å; F673-V711 HydrophobicContact CZ-CG1 3.56Å; F673-V711 HydrophobicContact CZ-CG2 3.64Å; L685-V711 HydrophobicContact CD1-CG1 4.21Å; L685-V711 HydrophobicContact CD2-CG1 4.27Å; L685-V711 HydrophobicContact CD2-CG2 4.3Å; F707-V711 HydrophobicContact CD1-CG2 4.35Å; F707-V711 HydrophobicContact CD2-CG2 4.44Å; F707-V711 HydrophobicContact CE1-CG2 3.95Å; F707-V711 HydrophobicContact CE2-CG2 4.05Å; F707-V711 HydrophobicContact CZ-CG2 3.79Å; F707-V711 VanDerWaalsContact O-CG2 3.31Å; F707-V711 WeakPolarHBondContact O-CG2 3.45Å; F707-V711 PolarHBondContact O-N 2.87Å; L708-V711 PolarHBondContact O-N 3.23Å; L709-V711 VanDerWaalsContact C-N 3.35Å; L709-V711 PolarHBondContact O-N 3.16Å; V711-N713 VanDerWaalsContact C-N 3.3Å; V711-N713 PolarHBondContact O-N 3.49Å; V711-E714 PolarHBondContact O-N 3.4Å; V711-L715 HydrophobicContact CG1-CD1 4.05Å; V711-L715 WeakPolarHBondContact O-CG 3.44Å; V711-L715 PolarHBondContact O-N 2.92Å; V711-L760 HydrophobicContact CB-CD1 4.35Å; V711-L760 HydrophobicContact CG1-CD1 3.97Å; V711-L760 HydrophobicContact CG1-CD2 4.36Å
712	S	82	Confident	72.4	Confident	1 Å²	1	55 Å²	55	1%	0.007	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-41.1	176.9	-178	0	0	0	0	112	L708 L709 N710 L715 K716 G787	L708-S712 PolarHBondContact O-N 3.13Å; L709-S712 WeakPolarHBondContact O-CB 3.1Å; L709-S712 PolarHBondContact O-N 3.3Å; N710-S712 VanDerWaalsContact C-N 3.33Å; N710-S712 PolarHBondContact O-N 3.38Å; S712-L715 PolarHBondContact O-N 3.34Å; S712-K716 WeakPolarHBondContact O-CG 3.45Å; S712-K716 PolarHBondContact O-N 3.47Å; S712-K716 VanDerWaalsContact O-N 3.11Å; S712-G787 WeakPolarHBondContact OG-CA 3.37Å; S712-G787 PolarHBondContact OG-O 3.25Å
713	N	79.4	Confident	69.6	Low	64 Å²	64	57.7 Å²	57.7	34%	0.342	30%	0.297	S	S	.	.	H	α-helix	trans	-70.7	-39.1	179.7	-71.3	-30.8	0	0	0	112.8	L709 N710 V711 L715 K716 L717	L709-N713 PolarHBondContact O-N 2.96Å; L709-N713 PolarHBondContact O-ND2 2.89Å; N710-N713 PolarHBondContact O-N 2.6Å; N710-N713 VanDerWaalsContact O-N 3.12Å; V711-N713 VanDerWaalsContact C-N 3.3Å; V711-N713 PolarHBondContact O-N 3.49Å; N713-L715 VanDerWaalsContact C-N 3.34Å; N713-L715 PolarHBondContact O-N 3.31Å; N713-K716 WeakPolarHBondContact O-CB 3.45Å; N713-K716 PolarHBondContact O-N 3Å; N713-K716 PolarHBondContact OD1-NZ 2.84Å; N713-L717 WeakPolarHBondContact O-CG 3.38Å; N713-L717 PolarHBondContact O-N 3Å; N713-L717 VanDerWaalsContact O-N 3.13Å
714	E	75.7	Confident	66.9	Low	70 Å²	70	60.2 Å²	60.2	33%	0.327	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-40	174.3	-74.7	-172.3	-158.3	0	0	112	F673 N710 V711 K716 L717 N718	F673-E714 VanDerWaalsContact CE1-OE2 3.31Å; F673-E714 WeakPolarHBondContact CE1-OE2 3.29Å; N710-E714 PolarHBondContact ND2-OE1 3.28Å; N710-E714 PolarHBondContact O-N 3.3Å; V711-E714 PolarHBondContact O-N 3.4Å; E714-K716 VanDerWaalsContact C-N 3.34Å; E714-K716 PolarHBondContact O-N 3.01Å; E714-L717 PolarHBondContact O-N 2.89Å; E714-N718 PolarHBondContact O-N 3.04Å
715	L	73.1	Confident	64	Low	18 Å²	18	66.8 Å²	66.8	9%	0.094	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-34	175.8	-67.7	172.9	0	0	0	112.5	V711 S712 N713 P756 I757 L760	V711-L715 HydrophobicContact CG1-CD1 4.05Å; V711-L715 WeakPolarHBondContact O-CG 3.44Å; V711-L715 PolarHBondContact O-N 2.92Å; S712-L715 PolarHBondContact O-N 3.34Å; N713-L715 VanDerWaalsContact C-N 3.34Å; N713-L715 PolarHBondContact O-N 3.31Å; L715-P756 HydrophobicContact CD1-CB 4.24Å; L715-P756 HydrophobicContact CD2-CB 4.05Å; L715-P756 HydrophobicContact CD2-CG 4.39Å; L715-I757 HydrophobicContact CD1-CG1 3.95Å; L715-L760 HydrophobicContact CD1-CD2 3.99Å
716	K	66.3	Low	61.2	Low	46 Å²	46	73.1 Å²	73.1	20%	0.2	39%	0.391	C	S	.	.	H	α-helix	trans	-63.1	-42.3	171.2	-72.6	174.4	-173.7	169	0	112.4	S712 N713 E714 N718 I719 N720 P786 G787 P790	S712-K716 WeakPolarHBondContact O-CG 3.45Å; S712-K716 PolarHBondContact O-N 3.47Å; S712-K716 VanDerWaalsContact O-N 3.11Å; N713-K716 WeakPolarHBondContact O-CB 3.45Å; N713-K716 PolarHBondContact O-N 3Å; N713-K716 PolarHBondContact OD1-NZ 2.84Å; E714-K716 VanDerWaalsContact C-N 3.34Å; E714-K716 PolarHBondContact O-N 3.01Å; K716-N718 VanDerWaalsContact C-N 3.29Å; K716-N718 PolarHBondContact O-N 3.12Å; K716-I719 WeakPolarHBondContact O-CB 3.36Å; K716-I719 PolarHBondContact O-N 2.89Å; K716-I719 VanDerWaalsContact O-N 3.15Å; K716-N720 PolarHBondContact O-N 3.35Å; K716-P786 WeakPolarHBondContact CE-O 3.41Å; K716-P786 PolarHBondContact NZ-O 2.84Å; K716-G787 VanDerWaalsContact CE-C 3.43Å; K716-G787 WeakPolarHBondContact CE-O 3.45Å; K716-P790 HydrophobicContact CG-CG 4.42Å
717	L	54.2	Low	58.4	Low	101 Å²	101	78.9 Å²	78.9	53%	0.529	41%	0.41	S	S	.	.	H	α-helix	trans	-65	-34.3	-178.4	-70.2	174.2	0	0	0	112.1	N713 E714 I719 N720 N721	N713-L717 WeakPolarHBondContact O-CG 3.38Å; N713-L717 PolarHBondContact O-N 3Å; N713-L717 VanDerWaalsContact O-N 3.13Å; E714-L717 PolarHBondContact O-N 2.89Å; L717-I719 PolarHBondContact O-N 3.33Å; L717-N720 PolarHBondContact O-N 3.38Å; L717-N721 PolarHBondContact O-N 2.83Å; L717-N721 VanDerWaalsContact O-N 3.12Å
718	N	56.2	Low	55.5	Low	95 Å²	95	87.9 Å²	87.9	51%	0.508	45%	0.445	S	S	.	.	H	α-helix	trans	-64.8	-23.2	175.1	-78.1	-19.2	0	0	0	113.8	E714 K716 N722	E714-N718 PolarHBondContact O-N 3.04Å; K716-N718 VanDerWaalsContact C-N 3.29Å; K716-N718 PolarHBondContact O-N 3.12Å; N718-N722 PolarHBondContact O-ND2 3.27Å; N718-N722 VanDerWaalsContact O-ND2 3.08Å
719	I	52.4	Low	52.6	Low	55 Å²	55	94.2 Å²	94.2	28%	0.282	48%	0.483	S	S	.	.	H	α-helix	trans	-73	-40.9	171.2	-60.8	175	0	0	0	110.3	K716 L717 H791	K716-I719 WeakPolarHBondContact O-CB 3.36Å; K716-I719 PolarHBondContact O-N 2.89Å; K716-I719 VanDerWaalsContact O-N 3.15Å; L717-I719 PolarHBondContact O-N 3.33Å; I719-H791 WeakPolarHBondContact CD1-ND1 3.42Å
720	N	42.7	Very low	49.8	Very low	106 Å²	106	101.1 Å²	101.1	57%	0.567	51%	0.514	S	S	*	.	H	α-helix	trans	-75	-30.6	-173.6	-70.4	-27.2	0	0	0	114	K716 L717 N722	K716-N720 PolarHBondContact O-N 3.35Å; L717-N720 PolarHBondContact O-N 3.38Å; N720-N722 PolarHBondContact O-N 3.44Å
721	N	40.8	Very low	46.8	Very low	124 Å²	124	103.9 Å²	103.9	66%	0.663	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.4	-179.8	-72.3	-13.9	0	0	0	114	L717 K723	L717-N721 PolarHBondContact O-N 2.83Å; L717-N721 VanDerWaalsContact O-N 3.12Å; N721-K723 PolarHBondContact O-N 3.49Å
722	N	31.8	Very low	44.1	Very low	110 Å²	110	112.9 Å²	112.9	59%	0.588	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	20.1	176.7	-74.1	-41	0	0	0	114	N718 N720	N718-N722 PolarHBondContact O-ND2 3.27Å; N718-N722 VanDerWaalsContact O-ND2 3.08Å; N720-N722 PolarHBondContact O-N 3.44Å
723	K	27.1	Very low	41.4	Very low	169 Å²	169	120 Å²	120	74%	0.735	61%	0.607	S	S	*	*	S	Bend	trans	-75.8	131.7	168.7	-79.4	-175.6	177.5	178.8	0	109.4	N721 T725	N721-K723 PolarHBondContact O-N 3.49Å; K723-T725 PolarHBondContact O-N 3.3Å
724	P	29.6	Very low	38.9	Very low	114 Å²	114	123.7 Å²	123.7	74%	0.74	63%	0.625	S	S	*	*			trans	-66.5	110.1	-170.2	27.7	-32.1	0	0	0	109.1	D726	P724-D726 VanDerWaalsContact C-N 3.25Å; P724-D726 PolarHBondContact O-N 3.01Å
725	T	27.4	Very low	36.5	Very low	137 Å²	137	127.5 Å²	127.5	84%	0.84	65%	0.648	S	S	*	*			trans	-76.5	83.6	170.1	49	0	0	0	0	108.4	K723 K727	K723-T725 PolarHBondContact O-N 3.3Å; T725-K727 PolarHBondContact O-N 3.14Å; T725-K727 VanDerWaalsContact O-N 3.14Å
726	D	27.4	Very low	34.3	Very low	144 Å²	144	132.5 Å²	132.5	77%	0.77	68%	0.679	S	S	*	*			trans	-61.3	103.7	155.5	-77.6	-35.4	0	0	0	107.6	P724	P724-D726 VanDerWaalsContact C-N 3.25Å; P724-D726 PolarHBondContact O-N 3.01Å
727	K	28.4	Very low	32.4	Very low	186 Å²	186	136.5 Å²	136.5	81%	0.809	71%	0.707	S	S	*	*			trans	-171.9	110.4	153.3	-101.9	155	-171.9	-170.3	0	111.6	T725	T725-K727 PolarHBondContact O-N 3.14Å; T725-K727 VanDerWaalsContact O-N 3.14Å
728	Y	28.2	Very low	30.9	Very low	208 Å²	208	138.3 Å²	138.3	82%	0.816	72%	0.718	S	S	*	*			trans	54.9	94.3	153.9	-65.5	-84.6	0	0	0	117.9	Q730	Y728-Q730 PolarHBondContact O-N 3.14Å
729	V	27.2	Very low	29.5	Very low	132 Å²	132	141.6 Å²	141.6	80%	0.8	74%	0.735	S	S	*	*			trans	-57.6	111.3	153.4	179.5	0	0	0	0	107.8
730	Q	25.8	Very low	28.3	Very low	167 Å²	167	147.9 Å²	147.9	78%	0.78	76%	0.76	S	S	*	*			trans	-119.9	114.1	161.9	-113.6	170.1	-8.8	0	0	107.2	Y728 F732	Y728-Q730 PolarHBondContact O-N 3.14Å; Q730-F732 PolarHBondContact O-N 2.77Å
731	D	24.3	Very low	27.3	Very low	135 Å²	135	146.6 Å²	146.6	72%	0.722	76%	0.764	S	S	*	*			trans	-56.5	117.1	-173.6	-58.7	-50.3	0	0	0	111.8
732	F	26.7	Very low	26.7	Very low	188 Å²	188	151.1 Å²	151.1	83%	0.825	77%	0.774	S	S	*	*			trans	-123	89.7	156	-77.2	-76.9	0	0	0	107.7	Q730 I734	Q730-F732 PolarHBondContact O-N 2.77Å; F732-I734 PolarHBondContact O-N 2.93Å
733	N	24.8	Very low	26.5	Very low	150 Å²	150	154.2 Å²	154.2	80%	0.802	79%	0.79	S	S	*	*			trans	-61	114.2	161.2	-85.2	-16.8	0	0	0	108.5
734	I	27.1	Very low	26.5	Very low	142 Å²	142	153.9 Å²	153.9	73%	0.728	79%	0.791	S	S	*	*			trans	-128	106	155.1	-63.2	179.9	0	0	0	106	F732 T736	F732-I734 PolarHBondContact O-N 2.93Å; I734-T736 HydrophobicContact CG2-CG2 4.38Å; I734-T736 PolarHBondContact O-N 3.44Å
735	D	24.2	Very low	26.3	Very low	151 Å²	151	157.3 Å²	157.3	81%	0.807	80%	0.797	S	S	*	*			trans	-59.2	110.2	168.9	-66.8	-50.5	0	0	0	109.7
736	T	27.7	Very low	26.2	Very low	123 Å²	123	157.6 Å²	157.6	76%	0.755	79%	0.793	S	S	*	*			trans	-131.9	87.6	161.4	44.6	0	0	0	0	109.2	I734	I734-T736 HydrophobicContact CG2-CG2 4.38Å; I734-T736 PolarHBondContact O-N 3.44Å
737	V	26.1	Very low	26.1	Very low	130 Å²	130	159.3 Å²	159.3	79%	0.788	80%	0.797	S	S	*	*			trans	32.5	113.1	136.8	-171.3	0	0	0	0	116.7	D739	V737-D739 PolarHBondContact O-N 3.38Å
738	D	24.1	Very low	25.9	Very low	139 Å²	139	156.5 Å²	156.5	74%	0.743	80%	0.796	S	S	*	*			trans	-48	115.2	164.3	-77.5	-53.7	0	0	0	113.1
739	D	26.2	Very low	25.8	Very low	164 Å²	164	154.4 Å²	154.4	88%	0.877	79%	0.793	S	S	*	*			trans	-124.8	79.6	152.9	-92.5	-29.8	0	0	0	108	V737	V737-D739 PolarHBondContact O-N 3.38Å
740	K	25.9	Very low	25.8	Very low	186 Å²	186	153.3 Å²	153.3	81%	0.809	79%	0.792	S	S	*	*			trans	-116.5	98.9	166.1	-74.3	-179.7	-177.7	165.2	0	108
741	A	23.4	Very low	25.9	Very low	79 Å²	79	152.4 Å²	152.4	65%	0.653	79%	0.792	S	S	*	*			trans	-167.5	137.8	147.3	0	0	0	0	0	112.7
742	Y	26.7	Very low	26.2	Very low	219 Å²	219	155.7 Å²	155.7	86%	0.859	79%	0.794	S	S	*	*			trans	80.7	86.6	159.8	-53.9	-68.9	0	0	0	118.9
743	D	28.5	Very low	26.8	Very low	176 Å²	176	151.8 Å²	151.8	94%	0.941	79%	0.785	S	S	*	*			trans	-153.9	71.7	140.7	-101.2	-20.5	0	0	0	108.6
744	E	26.3	Very low	28	Very low	161 Å²	161	149.4 Å²	149.4	75%	0.752	77%	0.77	S	S	*	*			trans	-114.9	106.2	162.4	-77.5	-170.5	164.4	0	0	107
745	H	25	Very low	29.7	Very low	187 Å²	187	145.4 Å²	145.4	87%	0.866	75%	0.748	S	S	*	*			trans	167.1	75.2	143.3	-83.9	-52.9	0	0	0	110.5
746	D	26.1	Very low	31.9	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	72%	0.716	S	S	*	*			trans	-157.7	62.6	151.9	-124.7	-9.1	0	0	0	110.4	T748	D746-T748 PolarHBondContact O-N 3.12Å
747	Q	24.7	Very low	34.4	Very low	181 Å²	181	133.8 Å²	133.8	85%	0.846	68%	0.682	S	S	*	*			trans	-93.4	61.5	176.1	-68.6	-172.6	10.6	0	0	111.1
748	T	25.2	Very low	37	Very low	127 Å²	127	127.7 Å²	127.7	78%	0.779	65%	0.645	S	S	*	*	S	Bend	trans	-138.4	28.6	163.3	59.5	0	0	0	0	114	D746	D746-T748 PolarHBondContact O-N 3.12Å
749	Q	25.9	Very low	39.8	Very low	163 Å²	163	121.8 Å²	121.8	76%	0.762	61%	0.613	S	S	*	*	S	Bend	trans	-135.9	124.6	153.5	-70.9	-177.8	9.8	0	0	106.7	N751	Q749-N751 VanDerWaalsContact C-N 3.26Å; Q749-N751 PolarHBondContact O-N 3.07Å
750	S	27.1	Very low	42.6	Very low	110 Å²	110	114 Å²	114	77%	0.769	57%	0.571	S	S	*	*			trans	-67	85.8	-176	63.7	0	0	0	0	110	R752	S750-R752 PolarHBondContact O-N 3.44Å
751	N	27.5	Very low	45.5	Very low	147 Å²	147	105.1 Å²	105.1	79%	0.786	53%	0.533	S	S	*	.			trans	-71.1	48.4	165.6	-74	-17.5	0	0	0	110.1	Q749 V753	Q749-N751 VanDerWaalsContact C-N 3.26Å; Q749-N751 PolarHBondContact O-N 3.07Å; N751-V753 VanDerWaalsContact C-N 3.35Å; N751-V753 PolarHBondContact O-N 3.04Å
752	R	31.3	Very low	48.5	Very low	204 Å²	204	103.6 Å²	103.6	77%	0.77	51%	0.514	S	S	*	.			trans	-65	107.7	157.9	-83.4	-172.5	-177.3	-172.7	1.9	104.2	S750 E754	S750-R752 PolarHBondContact O-N 3.44Å; R752-E754 PolarHBondContact O-N 3.27Å
753	V	38.7	Very low	51.3	Low	106 Å²	106	93.2 Å²	93.2	64%	0.642	47%	0.473	S	S	*	.			trans	-55.7	93.3	172.8	-176.5	0	0	0	0	106.7	N751 Q755	N751-V753 VanDerWaalsContact C-N 3.35Å; N751-V753 PolarHBondContact O-N 3.04Å; V753-Q755 PolarHBondContact O-N 2.81Å
754	E	49.9	Very low	54.1	Low	101 Å²	101	84.9 Å²	84.9	47%	0.472	43%	0.429	S	S	.	.			trans	-60.8	133.4	171.1	-63	-167.2	171.5	0	0	106.4	L682 R752	L682-E754 HydrophobicContact CD1-CB 4.44Å; L682-E754 WeakPolarHBondContact CD1-O 3.46Å; R752-E754 PolarHBondContact O-N 3.27Å
755	Q	62.2	Low	57	Low	58 Å²	58	79.6 Å²	79.6	27%	0.271	40%	0.403	S	S	.	.			trans	-72.6	152.8	-178.6	-67.7	-176.3	11.9	0	0	110.5	V753 I757 S758 E801	V753-Q755 PolarHBondContact O-N 2.81Å; Q755-I757 PolarHBondContact O-N 3.32Å; Q755-S758 WeakPolarHBondContact O-CB 3.08Å; Q755-S758 PolarHBondContact O-N 2.66Å; Q755-E801 WeakPolarHBondContact CB-OE1 3.31Å; Q755-E801 WeakPolarHBondContact CG-OE1 3.23Å; Q755-E801 PolarHBondContact N-OE1 3.33Å
756	P	70.7	Confident	59.9	Low	20 Å²	20	73.5 Å²	73.5	13%	0.13	38%	0.375	C	S	.	.	H	α-helix	trans	-52.4	-21.9	178.2	-26.6	33.4	0	0	0	114.8	L685 L715 S758 E759 L760	L685-P756 HydrophobicContact CD1-CB 4.04Å; L715-P756 HydrophobicContact CD1-CB 4.24Å; L715-P756 HydrophobicContact CD2-CB 4.05Å; L715-P756 HydrophobicContact CD2-CG 4.39Å; P756-S758 VanDerWaalsContact C-N 3.33Å; P756-S758 PolarHBondContact O-N 3.1Å; P756-E759 PolarHBondContact O-N 3.47Å; P756-L760 WeakPolarHBondContact O-CB 3.45Å; P756-L760 PolarHBondContact O-N 3.34Å
757	I	79.9	Confident	62.8	Low	10 Å²	10	66.8 Å²	66.8	5%	0.051	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-37.3	177.6	-61.3	159.8	0	0	0	111.7	L715 Q755 L760 C761 H791	L715-I757 HydrophobicContact CD1-CG1 3.95Å; Q755-I757 PolarHBondContact O-N 3.32Å; I757-L760 PolarHBondContact O-N 3.21Å; I757-C761 WeakPolarHBondContact O-CB 3.49Å; I757-C761 PolarHBondContact O-N 2.93Å; I757-C761 PolarHBondContact O-SG 3.18Å; I757-H791 VanDerWaalsContact CD1-ND1 3.26Å; I757-H791 WeakPolarHBondContact CD1-ND1 3.37Å
758	S	82.3	Confident	65.7	Low	2 Å²	2	58.7 Å²	58.7	1%	0.014	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-48.6	178.2	-172.1	0	0	0	0	110.4	Q755 P756 C761 N762 I804	Q755-S758 WeakPolarHBondContact O-CB 3.08Å; Q755-S758 PolarHBondContact O-N 2.66Å; P756-S758 VanDerWaalsContact C-N 3.33Å; P756-S758 PolarHBondContact O-N 3.1Å; S758-C761 WeakPolarHBondContact O-CB 3.22Å; S758-C761 PolarHBondContact O-N 3.3Å; S758-N762 VanDerWaalsContact O-CG 3.27Å; S758-N762 PolarHBondContact O-N 2.84Å; S758-N762 PolarHBondContact O-ND2 2.96Å; S758-I804 VanDerWaalsContact OG-CD1 3.28Å; S758-I804 WeakPolarHBondContact OG-CD1 3.26Å
759	E	82.8	Confident	68.6	Low	14 Å²	14	62.2 Å²	62.2	7%	0.065	30%	0.302	C	S	.	.	H	α-helix	trans	-71.7	-34.4	179.8	-65.5	-64.8	-171.1	0	0	113.1	L685 H686 P756 C761 N762 A763	L685-E759 HydrophobicContact CB-CB 3.79Å; L685-E759 HydrophobicContact CD1-CB 4.47Å; H686-E759 HydrophobicContact CB-CG 4.49Å; H686-E759 IonicContact CE1-OE1 2.72Å; H686-E759 IonicContact CG-OE1 3.48Å; H686-E759 IonicContact ND1-OE1 2.72Å; H686-E759 PolarHBondContact ND1-OE1 3.38Å; H686-E759 IonicContact ND1-OE2 2.7Å; P756-E759 PolarHBondContact O-N 3.47Å; E759-C761 VanDerWaalsContact C-N 3.29Å; E759-C761 PolarHBondContact O-N 3.34Å; E759-N762 PolarHBondContact O-N 3.34Å; E759-N762 PolarHBondContact OE2-ND2 3.3Å; E759-N762 VanDerWaalsContact OE2-ND2 3.09Å; E759-A763 WeakPolarHBondContact O-CB 3.16Å; E759-A763 PolarHBondContact O-N 2.64Å
760	L	85.2	Confident	71.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-44.5	169.5	178.4	65.3	0	0	0	111.1	L708 V711 L715 P756 I757 A763 W764 L788	L708-L760 HydrophobicContact CB-CD1 4.25Å; L708-L760 HydrophobicContact CD2-CD1 3.96Å; V711-L760 HydrophobicContact CB-CD1 4.35Å; V711-L760 HydrophobicContact CG1-CD1 3.97Å; V711-L760 HydrophobicContact CG1-CD2 4.36Å; L715-L760 HydrophobicContact CD1-CD2 3.99Å; P756-L760 WeakPolarHBondContact O-CB 3.45Å; P756-L760 PolarHBondContact O-N 3.34Å; I757-L760 PolarHBondContact O-N 3.21Å; L760-A763 WeakPolarHBondContact O-CB 3.44Å; L760-A763 PolarHBondContact O-N 2.88Å; L760-W764 PolarHBondContact O-N 3.37Å; L760-W764 VanDerWaalsContact O-N 3.12Å; L760-L788 HydrophobicContact CD2-CD2 3.97Å; L760-L788 HydrophobicContact CG-CD2 4.49Å
761	C	85.6	Confident	74	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-41.6	176.5	-77.8	0	0	0	0	112.2	I757 S758 E759 A763 W764 K765 I804 T808	I757-C761 WeakPolarHBondContact O-CB 3.49Å; I757-C761 PolarHBondContact O-N 2.93Å; I757-C761 PolarHBondContact O-SG 3.18Å; S758-C761 WeakPolarHBondContact O-CB 3.22Å; S758-C761 PolarHBondContact O-N 3.3Å; E759-C761 VanDerWaalsContact C-N 3.29Å; E759-C761 PolarHBondContact O-N 3.34Å; C761-A763 VanDerWaalsContact C-N 3.32Å; C761-A763 PolarHBondContact O-N 2.92Å; C761-W764 PolarHBondContact O-N 3.23Å; C761-K765 WeakPolarHBondContact O-CG 3.38Å; C761-K765 PolarHBondContact O-N 3.36Å; C761-I804 HydrophobicContact CB-CG2 3.63Å; C761-T808 HydrophobicContact CB-CG2 4.46Å; C761-T808 VanDerWaalsContact CB-OG1 3.28Å; C761-T808 WeakPolarHBondContact CB-OG1 3.49Å
762	N	86	Confident	76.7	Confident	46 Å²	46	47.7 Å²	47.7	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-39	175.1	-66.6	-24.6	0	0	0	111.5	V689 S758 E759 K765 Q766	V689-N762 HydrophobicContact CG1-CB 4.29Å; V689-N762 HydrophobicContact CG2-CB 4.14Å; S758-N762 VanDerWaalsContact O-CG 3.27Å; S758-N762 PolarHBondContact O-N 2.84Å; S758-N762 PolarHBondContact O-ND2 2.96Å; E759-N762 PolarHBondContact O-N 3.34Å; E759-N762 PolarHBondContact OE2-ND2 3.3Å; E759-N762 VanDerWaalsContact OE2-ND2 3.09Å; N762-K765 PolarHBondContact O-N 2.8Å; N762-Q766 VanDerWaalsContact O-CB 3.32Å; N762-Q766 WeakPolarHBondContact O-CB 3.48Å; N762-Q766 PolarHBondContact O-N 3.17Å
763	A	87.1	Confident	79.1	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-45.9	176.8	0	0	0	0	0	111.6	V689 L692 L708 E759 L760 C761 Q766 L767	V689-A763 HydrophobicContact CG2-CB 3.79Å; L692-A763 HydrophobicContact CD1-CB 4.14Å; L708-A763 HydrophobicContact CD1-CB 4.05Å; L708-A763 HydrophobicContact CD2-CB 3.94Å; E759-A763 WeakPolarHBondContact O-CB 3.16Å; E759-A763 PolarHBondContact O-N 2.64Å; L760-A763 WeakPolarHBondContact O-CB 3.44Å; L760-A763 PolarHBondContact O-N 2.88Å; C761-A763 VanDerWaalsContact C-N 3.32Å; C761-A763 PolarHBondContact O-N 2.92Å; A763-Q766 PolarHBondContact O-N 3.12Å; A763-L767 PolarHBondContact O-N 3.38Å
764	W	87.8	Confident	81.2	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-44.6	175.2	-73.7	119.3	0	0	0	112.3	I705 L708 L709 L760 C761 Q766 L767 L768 L775 I784 T808	I705-W764 HydrophobicContact CG2-CH2 4.42Å; L708-W764 HydrophobicContact CB-CH2 3.99Å; L708-W764 HydrophobicContact CB-CZ2 3.49Å; L708-W764 VanDerWaalsContact CB-CZ2 3.49Å; L708-W764 HydrophobicContact CD1-CD2 4.34Å; L708-W764 HydrophobicContact CD1-CE3 4.4Å; L708-W764 HydrophobicContact CD1-CH2 4.27Å; L708-W764 HydrophobicContact CD1-CZ2 4.21Å; L708-W764 HydrophobicContact CD1-CZ3 4.36Å; L709-W764 HydrophobicContact CD2-CH2 4.26Å; L709-W764 HydrophobicContact CD2-CZ2 3.99Å; L709-W764 HydrophobicContact CG-CH2 4.37Å; L709-W764 HydrophobicContact CG-CZ2 4.33Å; L760-W764 PolarHBondContact O-N 3.37Å; L760-W764 VanDerWaalsContact O-N 3.12Å; C761-W764 PolarHBondContact O-N 3.23Å; W764-Q766 VanDerWaalsContact C-N 3.3Å; W764-Q766 PolarHBondContact O-N 3.4Å; W764-L767 HydrophobicContact CE3-CD1 4.05Å; W764-L767 HydrophobicContact CZ3-CD1 4.05Å; W764-L767 PolarHBondContact O-N 3.43Å; W764-L768 VanDerWaalsContact O-CG 3.23Å; W764-L768 WeakPolarHBondContact O-CG 3.25Å; W764-L768 PolarHBondContact O-N 3.13Å; W764-L775 HydrophobicContact CE3-CD2 4.43Å; W764-L775 HydrophobicContact CZ3-CD2 3.84Å; W764-I784 HydrophobicContact CD2-CG2 3.85Å; W764-I784 HydrophobicContact CE3-CD1 3.88Å; W764-I784 HydrophobicContact CE3-CG1 4.46Å; W764-I784 HydrophobicContact CE3-CG2 4.19Å; W764-I784 HydrophobicContact CG-CG2 4.25Å; W764-I784 HydrophobicContact CH2-CD1 3.56Å; W764-I784 HydrophobicContact CH2-CG1 3.67Å; W764-I784 HydrophobicContact CZ2-CD1 4.24Å; W764-I784 HydrophobicContact CZ2-CG1 3.91Å; W764-I784 HydrophobicContact CZ2-CG2 4.17Å; W764-I784 HydrophobicContact CZ3-CD1 3.35Å; W764-I784 HydrophobicContact CZ3-CG1 3.97Å; W764-T808 HydrophobicContact CB-CG2 4.02Å
765	K	86.9	Confident	82.8	Confident	51 Å²	51	37.2 Å²	37.2	22%	0.222	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-41.8	175	-78.5	178.3	174.5	160	0	112.5	C761 N762 L767 L768 Y769 I804 S807 T808	C761-K765 WeakPolarHBondContact O-CG 3.38Å; C761-K765 PolarHBondContact O-N 3.36Å; N762-K765 PolarHBondContact O-N 2.8Å; K765-L767 VanDerWaalsContact C-N 3.34Å; K765-L767 PolarHBondContact O-N 2.88Å; K765-L768 PolarHBondContact O-N 2.82Å; K765-Y769 WeakPolarHBondContact O-CB 3.26Å; K765-Y769 PolarHBondContact O-N 3.45Å; K765-I804 PolarHBondContact NZ-O 2.73Å; K765-S807 WeakPolarHBondContact CE-OG 3.38Å; K765-S807 PolarHBondContact NZ-OG 3.47Å; K765-T808 VanDerWaalsContact CE-N 3.27Å; K765-T808 WeakPolarHBondContact CE-OG1 3.49Å; K765-T808 HydrophobicContact CG-CG2 4.14Å
766	Q	85.6	Confident	83.8	Confident	58 Å²	58	40.5 Å²	40.5	27%	0.271	19%	0.189	S	C	.	.	H	α-helix	trans	-63.4	-42.7	178.9	-166.1	68.3	-1.1	0	0	110.7	V689 L692 T693 N762 A763 W764 Y769 T770	V689-Q766 HydrophobicContact CG1-CB 4.44Å; L692-Q766 HydrophobicContact CB-CG 4.35Å; L692-Q766 HydrophobicContact CD1-CB 4.06Å; L692-Q766 HydrophobicContact CD1-CG 4.3Å; T693-Q766 HydrophobicContact CG2-CG 4.33Å; N762-Q766 VanDerWaalsContact O-CB 3.32Å; N762-Q766 WeakPolarHBondContact O-CB 3.48Å; N762-Q766 PolarHBondContact O-N 3.17Å; A763-Q766 PolarHBondContact O-N 3.12Å; W764-Q766 VanDerWaalsContact C-N 3.3Å; W764-Q766 PolarHBondContact O-N 3.4Å; Q766-Y769 PolarHBondContact O-N 3.34Å; Q766-T770 HydrophobicContact CG-CG2 4.48Å; Q766-T770 WeakPolarHBondContact O-CB 3.34Å; Q766-T770 WeakPolarHBondContact O-CG2 3.25Å; Q766-T770 PolarHBondContact O-N 3.48Å; Q766-T770 PolarHBondContact O-OG1 3.41Å
767	L	87.2	Confident	84.2	Confident	2 Å²	2	42 Å²	42	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-43.8	173.2	-75	173.3	0	0	0	112.4	L692 I700 L708 A763 W764 K765 Y769 K771 S772 L775	L692-L767 HydrophobicContact CD1-CG 4.13Å; L692-L767 HydrophobicContact CD2-CD2 4.16Å; L692-L767 HydrophobicContact CD2-CG 4.45Å; I700-L767 HydrophobicContact CD1-CD2 4.32Å; I700-L767 HydrophobicContact CG2-CD2 3.6Å; L708-L767 HydrophobicContact CD1-CD1 3.78Å; A763-L767 PolarHBondContact O-N 3.38Å; W764-L767 HydrophobicContact CE3-CD1 4.05Å; W764-L767 HydrophobicContact CZ3-CD1 4.05Å; W764-L767 PolarHBondContact O-N 3.43Å; K765-L767 VanDerWaalsContact C-N 3.34Å; K765-L767 PolarHBondContact O-N 2.88Å; L767-Y769 VanDerWaalsContact C-N 3.32Å; L767-Y769 PolarHBondContact O-N 2.93Å; L767-K771 CarbonylContact O-C 3.56Å; L767-K771 WeakPolarHBondContact O-CA 3.32Å; L767-K771 PolarHBondContact O-N 2.93Å; L767-S772 PolarHBondContact O-N 2.94Å; L767-S772 VanDerWaalsContact O-N 3.16Å; L767-L775 HydrophobicContact CB-CD1 4.13Å
768	L	85.8	Confident	84.2	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-38.5	177.4	-70	164.1	0	0	0	112.2	W764 K765 S772 L775 A811 L812 Q815	W764-L768 VanDerWaalsContact O-CG 3.23Å; W764-L768 WeakPolarHBondContact O-CG 3.25Å; W764-L768 PolarHBondContact O-N 3.13Å; K765-L768 PolarHBondContact O-N 2.82Å; L768-S772 VanDerWaalsContact O-CB 3.26Å; L768-S772 WeakPolarHBondContact O-CB 3.35Å; L768-L775 HydrophobicContact CD2-CD1 3.59Å; L768-L775 HydrophobicContact CG-CD1 3.96Å; L768-A811 HydrophobicContact CD1-CB 4.08Å; L768-L812 HydrophobicContact CD1-CD2 3.64Å; L768-L812 HydrophobicContact CD1-CG 3.87Å; L768-L812 HydrophobicContact CD2-CD2 3.84Å; L768-L812 HydrophobicContact CG-CD2 4.19Å; L768-Q815 HydrophobicContact CD2-CG 3.72Å
769	Y	84.8	Confident	84.3	Confident	201 Å²	201	48.4 Å²	48.4	79%	0.788	23%	0.229	S	C	*	.	H	α-helix	trans	-76.8	-40.8	-179.3	-177	-104.8	0	0	0	112.5	K765 Q766 L767	K765-Y769 WeakPolarHBondContact O-CB 3.26Å; K765-Y769 PolarHBondContact O-N 3.45Å; Q766-Y769 PolarHBondContact O-N 3.34Å; L767-Y769 VanDerWaalsContact C-N 3.32Å; L767-Y769 PolarHBondContact O-N 2.93Å
770	T	83	Confident	84.3	Confident	52 Å²	52	47.9 Å²	47.9	32%	0.319	23%	0.227	S	C	.	.	H	α-helix	trans	-91.7	-36.4	-170.9	58.8	0	0	0	0	113.3	T693 Q766	T693-T770 HydrophobicContact CG2-CG2 4.22Å; Q766-T770 HydrophobicContact CG-CG2 4.48Å; Q766-T770 WeakPolarHBondContact O-CB 3.34Å; Q766-T770 WeakPolarHBondContact O-CG2 3.25Å; Q766-T770 PolarHBondContact O-N 3.48Å; Q766-T770 PolarHBondContact O-OG1 3.41Å
771	K	84.7	Confident	84	Confident	22 Å²	22	48.3 Å²	48.3	10%	0.096	23%	0.229	C	C	.	.	H	α-helix	trans	-145.6	44.2	-170.4	-57.9	-171.2	-176.3	-167.7	0	112.2	L695 D697 I700 L767 Y773 L774	L695-K771 PolarHBondContact O-NZ 3.45Å; D697-K771 WeakPolarHBondContact OD1-CD 3.47Å; D697-K771 WeakPolarHBondContact OD1-CE 3.47Å; D697-K771 IonicContact OD1-NZ 2.78Å; D697-K771 PolarHBondContact OD1-NZ 2.92Å; I700-K771 HydrophobicContact CD1-CD 3.56Å; I700-K771 VanDerWaalsContact CD1-NZ 3.29Å; L767-K771 CarbonylContact O-C 3.56Å; L767-K771 WeakPolarHBondContact O-CA 3.32Å; L767-K771 PolarHBondContact O-N 2.93Å; K771-Y773 HydrophobicContact CB-CE1 3.99Å; K771-Y773 HydrophobicContact CG-CE1 4.24Å; K771-Y773 PolarHBondContact O-N 3.24Å; K771-L774 HydrophobicContact CB-CD1 3.81Å; K771-L774 HydrophobicContact CB-CG 4.1Å; K771-L774 HydrophobicContact CD-CD1 3.68Å; K771-L774 HydrophobicContact CG-CD1 4.37Å; K771-L774 WeakPolarHBondContact O-CB 3.24Å; K771-L774 PolarHBondContact O-N 3.31Å
772	S	82.6	Confident	83.8	Confident	41 Å²	41	52.4 Å²	52.4	29%	0.287	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-51.2	-32.7	178.9	50.7	0	0	0	0	113.5	L767 L768 L774 L775	L767-S772 PolarHBondContact O-N 2.94Å; L767-S772 VanDerWaalsContact O-N 3.16Å; L768-S772 VanDerWaalsContact O-CB 3.26Å; L768-S772 WeakPolarHBondContact O-CB 3.35Å; S772-L774 PolarHBondContact O-N 2.97Å; S772-L775 PolarHBondContact O-N 2.7Å
773	Y	82.5	Confident	83.6	Confident	151 Å²	151	54.3 Å²	54.3	59%	0.592	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-62.4	-19.5	179	64.6	-91.8	0	0	0	114.1	D697 K771 L775	D697-Y773 PolarHBondContact OD1-OH 3.01Å; D697-Y773 WeakPolarHBondContact OD2-CE2 3.23Å; D697-Y773 PolarHBondContact OD2-OH 2.87Å; K771-Y773 HydrophobicContact CB-CE1 3.99Å; K771-Y773 HydrophobicContact CG-CE1 4.24Å; K771-Y773 PolarHBondContact O-N 3.24Å; Y773-L775 VanDerWaalsContact C-N 3.34Å
774	L	82.6	Confident	83.4	Confident	31 Å²	31	54.3 Å²	54.3	16%	0.162	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-81.1	-14.7	174.4	-62.3	-178.8	0	0	0	112.9	D697 I700 V701 K771 S772	D697-L774 HydrophobicContact CB-CD1 4.01Å; D697-L774 HydrophobicContact CB-CD2 4.02Å; I700-L774 HydrophobicContact CB-CD1 4.24Å; I700-L774 HydrophobicContact CD1-CD1 4.46Å; I700-L774 HydrophobicContact CG2-CD1 4.04Å; V701-L774 HydrophobicContact CG2-CB 4.26Å; V701-L774 HydrophobicContact CG2-CD1 4.42Å; V701-L774 HydrophobicContact CG2-CD2 4.04Å; V701-L774 HydrophobicContact CG2-CG 4.48Å; K771-L774 HydrophobicContact CB-CD1 3.81Å; K771-L774 HydrophobicContact CB-CG 4.1Å; K771-L774 HydrophobicContact CD-CD1 3.68Å; K771-L774 HydrophobicContact CG-CD1 4.37Å; K771-L774 WeakPolarHBondContact O-CB 3.24Å; K771-L774 PolarHBondContact O-N 3.31Å; S772-L774 PolarHBondContact O-N 2.97Å
775	L	84.4	Confident	83.2	Confident	9 Å²	9	54.9 Å²	54.9	5%	0.047	26%	0.264	C	S	.	.	S	Bend	trans	-97.6	97.4	-178.3	-63.8	172.2	0	0	0	109.6	I705 W764 L767 L768 S772 Y773 L779 I780 I784	I705-L775 HydrophobicContact CD1-CD2 3.76Å; I705-L775 HydrophobicContact CG1-CD2 4.33Å; W764-L775 HydrophobicContact CE3-CD2 4.43Å; W764-L775 HydrophobicContact CZ3-CD2 3.84Å; L767-L775 HydrophobicContact CB-CD1 4.13Å; L768-L775 HydrophobicContact CD2-CD1 3.59Å; L768-L775 HydrophobicContact CG-CD1 3.96Å; S772-L775 PolarHBondContact O-N 2.7Å; Y773-L775 VanDerWaalsContact C-N 3.34Å; L775-L779 HydrophobicContact CD2-CD2 4.41Å; L775-I780 HydrophobicContact CB-CD1 4.12Å; L775-I780 HydrophobicContact CB-CG1 4.28Å; L775-I784 HydrophobicContact CD2-CD1 4.11Å
776	E	82.6	Confident	83	Confident	128 Å²	128	54 Å²	54	60%	0.598	26%	0.264	S	S	*	.			trans	-60.4	136.9	175.9	-68.5	-171	177	0	0	111.1	Q778 L779 I780	E776-Q778 PolarHBondContact O-N 3.45Å; E776-L779 HydrophobicContact CB-CB 4.42Å; E776-L779 WeakPolarHBondContact O-CB 3.31Å; E776-L779 PolarHBondContact O-N 3.08Å; E776-I780 PolarHBondContact O-N 3.07Å
777	P	79.7	Confident	82.7	Confident	50 Å²	50	51.3 Å²	51.3	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-54	-31.5	178.3	-29.9	35.9	0	0	0	113.8	V781 L816	P777-V781 WeakPolarHBondContact O-CG2 3.11Å; P777-V781 PolarHBondContact O-N 3.48Å; P777-L816 HydrophobicContact CB-CD2 3.75Å
778	Q	79.9	Confident	82.6	Confident	105 Å²	105	51.2 Å²	51.2	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-47.2	176.6	-64.4	-174.7	17.2	0	0	111.3	E776 I780 V781 T782	E776-Q778 PolarHBondContact O-N 3.45Å; Q778-I780 VanDerWaalsContact C-N 3.31Å; Q778-I780 PolarHBondContact O-N 3.24Å; Q778-V781 PolarHBondContact O-N 3.5Å; Q778-V781 VanDerWaalsContact O-N 3.14Å; Q778-T782 WeakPolarHBondContact O-CG2 3.47Å; Q778-T782 PolarHBondContact O-N 3.42Å; Q778-T782 PolarHBondContact O-OG1 3.14Å
779	L	84.4	Confident	82.4	Confident	42 Å²	42	52.4 Å²	52.4	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-41.6	178.2	-176.4	70.6	0	0	0	112.2	I705 L709 L775 E776 V781 E783 I784	I705-L779 HydrophobicContact CD1-CD2 4.41Å; I705-L779 HydrophobicContact CG2-CD2 3.69Å; L709-L779 HydrophobicContact CD1-CD1 4.13Å; L775-L779 HydrophobicContact CD2-CD2 4.41Å; E776-L779 HydrophobicContact CB-CB 4.42Å; E776-L779 WeakPolarHBondContact O-CB 3.31Å; E776-L779 PolarHBondContact O-N 3.08Å; L779-V781 VanDerWaalsContact C-N 3.32Å; L779-V781 PolarHBondContact O-N 3.26Å; L779-E783 HydrophobicContact CD1-CB 4.23Å; L779-E783 HydrophobicContact CD1-CG 4.15Å; L779-E783 PolarHBondContact O-N 3.2Å; L779-E783 VanDerWaalsContact O-N 3.08Å; L779-I784 HydrophobicContact CD2-CD1 4.24Å; L779-I784 HydrophobicContact CG-CD1 4.13Å; L779-I784 HydrophobicContact CG-CG1 4.46Å; L779-I784 PolarHBondContact O-N 2.96Å
780	I	81.2	Confident	82.1	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.015	23%	0.23	C	C	.	.	I	π-helix	trans	-58.7	-47.1	176.7	-66.7	173	0	0	0	110.4	L775 E776 Q778 I784 F785 L812 Q815 L816	L775-I780 HydrophobicContact CB-CD1 4.12Å; L775-I780 HydrophobicContact CB-CG1 4.28Å; E776-I780 PolarHBondContact O-N 3.07Å; Q778-I780 VanDerWaalsContact C-N 3.31Å; Q778-I780 PolarHBondContact O-N 3.24Å; I780-I784 HydrophobicContact CG1-CD1 4.17Å; I780-F785 WeakPolarHBondContact O-CB 3.49Å; I780-F785 PolarHBondContact O-N 3.13Å; I780-L812 HydrophobicContact CD1-CD2 4.48Å; I780-L812 HydrophobicContact CG1-CD2 4.29Å; I780-L812 HydrophobicContact CG2-CB 4.1Å; I780-L812 HydrophobicContact CG2-CD2 3.89Å; I780-Q815 HydrophobicContact CD1-CB 4.27Å; I780-L816 HydrophobicContact CB-CD2 4.29Å; I780-L816 HydrophobicContact CG2-CD1 4Å; I780-L816 HydrophobicContact CG2-CD2 4.22Å; I780-L816 HydrophobicContact CG2-CG 4.18Å
781	V	80.2	Confident	81.9	Confident	9 Å²	9	42 Å²	42	6%	0.055	22%	0.215	C	C	.	.	I	π-helix	trans	-74.8	-39.6	-174.6	175.2	0	0	0	0	112	P777 Q778 L779 P786 L816 S1062 I1066	P777-V781 WeakPolarHBondContact O-CG2 3.11Å; P777-V781 PolarHBondContact O-N 3.48Å; Q778-V781 PolarHBondContact O-N 3.5Å; Q778-V781 VanDerWaalsContact O-N 3.14Å; L779-V781 VanDerWaalsContact C-N 3.32Å; L779-V781 PolarHBondContact O-N 3.26Å; V781-P786 WeakPolarHBondContact O-CD 3.3Å; V781-P786 WeakPolarHBondContact O-CG 3.42Å; V781-L816 HydrophobicContact CG2-CD1 3.53Å; V781-L816 HydrophobicContact CG2-CD2 3.76Å; V781-L816 HydrophobicContact CG2-CG 4.31Å; V781-S1062 WeakPolarHBondContact CG1-O 3.25Å; V781-I1066 HydrophobicContact CB-CD1 4.11Å; V781-I1066 HydrophobicContact CG1-CD1 3.49Å; V781-I1066 VanDerWaalsContact CG1-CD1 3.49Å; V781-I1066 HydrophobicContact CG1-CG1 3.57Å; V781-I1066 HydrophobicContact CG2-CD1 3.89Å
782	T	80.4	Confident	81.6	Confident	88 Å²	88	43 Å²	43	54%	0.54	22%	0.223	S	C	.	.	I	π-helix	trans	-83.5	-37.9	-172.2	56	0	0	0	0	113	Q778	Q778-T782 WeakPolarHBondContact O-CG2 3.47Å; Q778-T782 PolarHBondContact O-N 3.42Å; Q778-T782 PolarHBondContact O-OG1 3.14Å
783	E	81.7	Confident	81.3	Confident	85 Å²	85	45.9 Å²	45.9	40%	0.397	24%	0.239	S	C	.	.	I	π-helix	trans	-116.2	-55.4	-168.2	-66.5	-71.5	156.8	0	0	111.5	L709 L779 G787	L709-E783 HydrophobicContact CD1-CB 4.09Å; L709-E783 HydrophobicContact CD1-CG 4.38Å; L709-E783 HydrophobicContact CD2-CB 3.71Å; L779-E783 HydrophobicContact CD1-CB 4.23Å; L779-E783 HydrophobicContact CD1-CG 4.15Å; L779-E783 PolarHBondContact O-N 3.2Å; L779-E783 VanDerWaalsContact O-N 3.08Å; E783-G787 WeakPolarHBondContact O-CA 3.3Å; E783-G787 PolarHBondContact O-N 2.73Å
784	I	83.9	Confident	80.8	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.22	C	C	.	.	I	π-helix	trans	-71.7	-51.9	-168.4	-55.8	170.7	0	0	0	111.6	L709 W764 L775 L779 I780 G787 L788 L812	L709-I784 HydrophobicContact CD2-CG1 3.89Å; W764-I784 HydrophobicContact CD2-CG2 3.85Å; W764-I784 HydrophobicContact CE3-CD1 3.88Å; W764-I784 HydrophobicContact CE3-CG1 4.46Å; W764-I784 HydrophobicContact CE3-CG2 4.19Å; W764-I784 HydrophobicContact CG-CG2 4.25Å; W764-I784 HydrophobicContact CH2-CD1 3.56Å; W764-I784 HydrophobicContact CH2-CG1 3.67Å; W764-I784 HydrophobicContact CZ2-CD1 4.24Å; W764-I784 HydrophobicContact CZ2-CG1 3.91Å; W764-I784 HydrophobicContact CZ2-CG2 4.17Å; W764-I784 HydrophobicContact CZ3-CD1 3.35Å; W764-I784 HydrophobicContact CZ3-CG1 3.97Å; L775-I784 HydrophobicContact CD2-CD1 4.11Å; L779-I784 HydrophobicContact CD2-CD1 4.24Å; L779-I784 HydrophobicContact CG-CD1 4.13Å; L779-I784 HydrophobicContact CG-CG1 4.46Å; L779-I784 PolarHBondContact O-N 2.96Å; I780-I784 HydrophobicContact CG1-CD1 4.17Å; I784-G787 VanDerWaalsContact O-CA 3.22Å; I784-G787 WeakPolarHBondContact O-CA 3.45Å; I784-G787 PolarHBondContact O-N 3.2Å; I784-G787 VanDerWaalsContact O-N 3.16Å; I784-L788 HydrophobicContact CG2-CD1 4.47Å; I784-L788 PolarHBondContact O-N 3.32Å; I784-L812 HydrophobicContact CG2-CD1 3.83Å; I784-L812 HydrophobicContact CG2-CD2 4.05Å
785	F	82.9	Confident	80.2	Confident	13 Å²	13	49 Å²	49	6%	0.057	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-47.6	-176.8	-167	-87.8	0	0	0	111.9	I780 G787 L788 L789 L809 L812 L813 I1066	I780-F785 WeakPolarHBondContact O-CB 3.49Å; I780-F785 PolarHBondContact O-N 3.13Å; F785-G787 PolarHBondContact O-N 3.01Å; F785-L788 PolarHBondContact O-N 2.93Å; F785-L788 VanDerWaalsContact O-N 3.15Å; F785-L789 HydrophobicContact CD1-CD1 3.69Å; F785-L789 HydrophobicContact CD1-CG 4.01Å; F785-L789 HydrophobicContact CE1-CD1 3.66Å; F785-L789 HydrophobicContact CE1-CD2 3.93Å; F785-L789 HydrophobicContact CE1-CG 3.86Å; F785-L789 HydrophobicContact CZ-CD2 4.39Å; F785-L789 WeakPolarHBondContact O-CG 3.28Å; F785-L789 PolarHBondContact O-N 3.06Å; F785-L809 HydrophobicContact CD2-CD2 3.71Å; F785-L809 HydrophobicContact CE2-CB 4.04Å; F785-L809 HydrophobicContact CE2-CD2 3.6Å; F785-L809 HydrophobicContact CE2-CG 4.39Å; F785-L809 HydrophobicContact CG-CD2 4.31Å; F785-L809 HydrophobicContact CZ-CD2 4.14Å; F785-L812 HydrophobicContact CD2-CB 4.22Å; F785-L812 HydrophobicContact CD2-CD1 4.36Å; F785-L813 HydrophobicContact CD2-CD2 4.47Å; F785-L813 HydrophobicContact CD2-CG 4.48Å; F785-L813 HydrophobicContact CE2-CD1 3.97Å; F785-L813 HydrophobicContact CE2-CD2 3.79Å; F785-L813 HydrophobicContact CE2-CG 3.63Å; F785-L813 HydrophobicContact CZ-CD1 4.09Å; F785-L813 HydrophobicContact CZ-CD2 3.98Å; F785-L813 HydrophobicContact CZ-CG 4.11Å; F785-I1066 HydrophobicContact CD1-CG2 4.12Å; F785-I1066 HydrophobicContact CE1-CG2 3.79Å
786	P	83	Confident	79.6	Confident	34 Å²	34	54.9 Å²	54.9	22%	0.221	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-25.4	171.4	-20.1	35.7	0	0	0	112.9	K716 V781 P790	K716-P786 WeakPolarHBondContact CE-O 3.41Å; K716-P786 PolarHBondContact NZ-O 2.84Å; V781-P786 WeakPolarHBondContact O-CD 3.3Å; V781-P786 WeakPolarHBondContact O-CG 3.42Å; P786-P790 VanDerWaalsContact O-CD 3.26Å; P786-P790 WeakPolarHBondContact O-CD 2.96Å
787	G	79.9	Confident	79.1	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-42	-56.1	162.7	0	0	0	0	0	114.3	S712 K716 E783 I784 F785	S712-G787 WeakPolarHBondContact OG-CA 3.37Å; S712-G787 PolarHBondContact OG-O 3.25Å; K716-G787 VanDerWaalsContact CE-C 3.43Å; K716-G787 WeakPolarHBondContact CE-O 3.45Å; E783-G787 WeakPolarHBondContact O-CA 3.3Å; E783-G787 PolarHBondContact O-N 2.73Å; I784-G787 VanDerWaalsContact O-CA 3.22Å; I784-G787 WeakPolarHBondContact O-CA 3.45Å; I784-G787 PolarHBondContact O-N 3.2Å; I784-G787 VanDerWaalsContact O-N 3.16Å; F785-G787 PolarHBondContact O-N 3.01Å
788	L	83.7	Confident	78.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-95.7	-23.8	-165.1	-65.1	175.4	0	0	0	113.5	L760 I784 F785 H791 L805 T808 L809 L812	L760-L788 HydrophobicContact CD2-CD2 3.97Å; L760-L788 HydrophobicContact CG-CD2 4.49Å; I784-L788 HydrophobicContact CG2-CD1 4.47Å; I784-L788 PolarHBondContact O-N 3.32Å; F785-L788 PolarHBondContact O-N 2.93Å; F785-L788 VanDerWaalsContact O-N 3.15Å; L788-H791 WeakPolarHBondContact O-CB 3.31Å; L788-H791 PolarHBondContact O-N 2.86Å; L788-L805 HydrophobicContact CB-CD1 3.94Å; L788-L805 HydrophobicContact CD2-CD1 4.33Å; L788-T808 HydrophobicContact CD1-CG2 4.06Å; L788-L809 HydrophobicContact CB-CD2 3.89Å; L788-L809 HydrophobicContact CD1-CD2 4.46Å; L788-L812 HydrophobicContact CD1-CD1 4.04Å
789	L	81.3	Confident	78.8	Confident	35 Å²	35	50.9 Å²	50.9	18%	0.183	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-53.7	-44.1	-178.1	-83.3	171	0	0	0	115.3	F785 H791 V792 V1070	F785-L789 HydrophobicContact CD1-CD1 3.69Å; F785-L789 HydrophobicContact CD1-CG 4.01Å; F785-L789 HydrophobicContact CE1-CD1 3.66Å; F785-L789 HydrophobicContact CE1-CD2 3.93Å; F785-L789 HydrophobicContact CE1-CG 3.86Å; F785-L789 HydrophobicContact CZ-CD2 4.39Å; F785-L789 WeakPolarHBondContact O-CG 3.28Å; F785-L789 PolarHBondContact O-N 3.06Å; L789-H791 PolarHBondContact O-N 3.28Å; L789-H791 VanDerWaalsContact O-N 3.16Å; L789-V792 VanDerWaalsContact O-CB 3.31Å; L789-V792 WeakPolarHBondContact O-CB 3.48Å; L789-V792 WeakPolarHBondContact O-CG2 3.42Å; L789-V792 PolarHBondContact O-N 2.9Å; L789-V1070 HydrophobicContact CD1-CG2 3.65Å; L789-V1070 HydrophobicContact CD2-CG2 4.27Å
790	P	80.1	Confident	78.5	Confident	34 Å²	34	52.8 Å²	52.8	22%	0.221	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-59.5	-29.7	-178.7	-25.9	35.8	0	0	0	113.5	K716 P786 V792 V793 L1073	K716-P790 HydrophobicContact CG-CG 4.42Å; P786-P790 VanDerWaalsContact O-CD 3.26Å; P786-P790 WeakPolarHBondContact O-CD 2.96Å; P790-V792 VanDerWaalsContact C-N 3.25Å; P790-V792 PolarHBondContact O-N 3.38Å; P790-V793 PolarHBondContact O-N 3.06Å; P790-L1073 HydrophobicContact CG-CD1 4.49Å
791	H	77.8	Confident	78.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-72	-17.5	179.7	-63.4	-76.9	0	0	0	113	I719 I757 L788 L789 V793 D794 L805	I719-H791 WeakPolarHBondContact CD1-ND1 3.42Å; I757-H791 VanDerWaalsContact CD1-ND1 3.26Å; I757-H791 WeakPolarHBondContact CD1-ND1 3.37Å; L788-H791 WeakPolarHBondContact O-CB 3.31Å; L788-H791 PolarHBondContact O-N 2.86Å; L789-H791 PolarHBondContact O-N 3.28Å; L789-H791 VanDerWaalsContact O-N 3.16Å; H791-V793 PolarHBondContact O-N 3.02Å; H791-D794 PolarHBondContact O-N 3.11Å; H791-L805 HydrophobicContact CB-CD2 3.92Å
792	V	78.6	Confident	78.3	Confident	42 Å²	42	57 Å²	57	26%	0.255	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-66.8	-28.1	178.2	-178.6	0	0	0	0	111.6	L789 P790 F802 L805 M806 L809	L789-V792 VanDerWaalsContact O-CB 3.31Å; L789-V792 WeakPolarHBondContact O-CB 3.48Å; L789-V792 WeakPolarHBondContact O-CG2 3.42Å; L789-V792 PolarHBondContact O-N 2.9Å; P790-V792 VanDerWaalsContact C-N 3.25Å; P790-V792 PolarHBondContact O-N 3.38Å; V792-F802 HydrophobicContact CG1-CE2 3.77Å; V792-F802 HydrophobicContact CG1-CZ 4.46Å; V792-L805 HydrophobicContact CB-CD2 4.29Å; V792-L805 HydrophobicContact CG2-CD2 3.6Å; V792-L805 HydrophobicContact CG2-CG 4.18Å; V792-M806 HydrophobicContact CG1-SD 4.11Å; V792-M806 HydrophobicContact CG2-SD 4.44Å; V792-L809 HydrophobicContact CG2-CD1 3.62Å
793	V	75.5	Confident	78.5	Confident	103 Å²	103	61.2 Å²	61.2	62%	0.624	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-97.3	-6.7	-176.7	-168.6	0	0	0	0	111.8	P790 H791 K795	P790-V793 PolarHBondContact O-N 3.06Å; H791-V793 PolarHBondContact O-N 3.02Å; V793-K795 PolarHBondContact O-N 2.8Å
794	D	73.5	Confident	78.5	Confident	38 Å²	38	59.1 Å²	59.1	20%	0.203	30%	0.295	C	S	.	.			trans	-69.7	119.2	-177.7	-174	-3.4	0	0	0	111.1	H791 K796 V797	H791-D794 PolarHBondContact O-N 3.11Å; D794-K796 PolarHBondContact O-N 3.43Å; D794-K796 WeakPolarHBondContact OD1-CB 3.48Å; D794-K796 PolarHBondContact OD1-N 2.74Å; D794-V797 HydrophobicContact CB-CG2 3.86Å; D794-V797 PolarHBondContact O-N 3.09Å
795	K	69.5	Low	78.6	Confident	208 Å²	208	59.1 Å²	59.1	90%	0.904	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.7	179.8	-65.3	-178.2	-178.6	176.3	0	113.2	V793	V793-K795 PolarHBondContact O-N 2.8Å
796	K	71.1	Confident	78.8	Confident	133 Å²	133	60.6 Å²	60.6	58%	0.578	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.9	179	-66.1	-177.2	178.7	177.4	0	113.6	D794	D794-K796 PolarHBondContact O-N 3.43Å; D794-K796 WeakPolarHBondContact OD1-CB 3.48Å; D794-K796 PolarHBondContact OD1-N 2.74Å
797	V	73.4	Confident	78.9	Confident	26 Å²	26	61.4 Å²	61.4	16%	0.158	31%	0.309	C	S	.	.			trans	-76.6	126.9	-176.9	176.9	0	0	0	0	110.1	D794 E801 F802	D794-V797 HydrophobicContact CB-CG2 3.86Å; D794-V797 PolarHBondContact O-N 3.09Å; V797-E801 HydrophobicContact CG1-CB 3.57Å; V797-F802 HydrophobicContact CG1-CB 4.1Å
798	S	75.7	Confident	79.2	Confident	42 Å²	42	61.4 Å²	61.4	29%	0.294	31%	0.309	S	S	.	.			trans	-69.3	159.3	176	68	0	0	0	0	111.8	T800 E801 F802	S798-T800 PolarHBondContact O-N 3.32Å; S798-T800 PolarHBondContact OG-OG1 2.87Å; S798-T800 VanDerWaalsContact OG-OG1 3.08Å; S798-E801 VanDerWaalsContact CB-OE2 3.31Å; S798-E801 WeakPolarHBondContact CB-OE2 3.46Å; S798-E801 PolarHBondContact N-OE2 2.72Å; S798-E801 PolarHBondContact O-N 3.32Å; S798-E801 WeakPolarHBondContact OG-CB 3.22Å; S798-E801 WeakPolarHBondContact OG-CG 3.49Å; S798-E801 PolarHBondContact OG-N 3.22Å; S798-E801 PolarHBondContact OG-OE2 3.1Å; S798-F802 WeakPolarHBondContact O-CB 3.48Å; S798-F802 PolarHBondContact O-N 2.78Å
799	I	77.6	Confident	79.3	Confident	131 Å²	131	61.7 Å²	61.7	67%	0.672	31%	0.311	S	S	*	.	H	α-helix	trans	-58.9	-36.3	178.7	-67.2	156.8	0	0	0	111.8	R803	I799-R803 VanDerWaalsContact O-CG 3.31Å; I799-R803 WeakPolarHBondContact O-CG 3.41Å; I799-R803 PolarHBondContact O-N 3.23Å
800	T	77.7	Confident	79.6	Confident	82 Å²	82	66.5 Å²	66.5	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-65.9	-47.1	176.8	36.9	0	0	0	0	111.4	S798 F802 R803 I804	S798-T800 PolarHBondContact O-N 3.32Å; S798-T800 PolarHBondContact OG-OG1 2.87Å; S798-T800 VanDerWaalsContact OG-OG1 3.08Å; T800-F802 PolarHBondContact O-N 2.91Å; T800-R803 WeakPolarHBondContact O-CB 3.46Å; T800-R803 PolarHBondContact O-N 3.14Å; T800-I804 WeakPolarHBondContact O-CG1 3.43Å; T800-I804 PolarHBondContact O-N 3.23Å
801	E	76.8	Confident	79.9	Confident	16 Å²	16	66.3 Å²	66.3	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-41.5	176.8	-70.5	161	160.6	0	0	111.4	Q755 V797 S798 R803 I804 L805	Q755-E801 WeakPolarHBondContact CB-OE1 3.31Å; Q755-E801 WeakPolarHBondContact CG-OE1 3.23Å; Q755-E801 PolarHBondContact N-OE1 3.33Å; V797-E801 HydrophobicContact CG1-CB 3.57Å; S798-E801 VanDerWaalsContact CB-OE2 3.31Å; S798-E801 WeakPolarHBondContact CB-OE2 3.46Å; S798-E801 PolarHBondContact N-OE2 2.72Å; S798-E801 PolarHBondContact O-N 3.32Å; S798-E801 WeakPolarHBondContact OG-CB 3.22Å; S798-E801 WeakPolarHBondContact OG-CG 3.49Å; S798-E801 PolarHBondContact OG-N 3.22Å; S798-E801 PolarHBondContact OG-OE2 3.1Å; E801-R803 VanDerWaalsContact C-N 3.3Å; E801-R803 PolarHBondContact O-N 3.32Å; E801-I804 PolarHBondContact O-N 3.24Å; E801-I804 VanDerWaalsContact O-N 3.14Å; E801-L805 WeakPolarHBondContact O-CB 3.44Å; E801-L805 PolarHBondContact O-N 2.95Å
802	F	80.8	Confident	80.2	Confident	86 Å²	86	66.2 Å²	66.2	38%	0.377	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-41.4	175.3	-178.3	-94	0	0	0	111.5	V792 V797 S798 T800 L805 M806	V792-F802 HydrophobicContact CG1-CE2 3.77Å; V792-F802 HydrophobicContact CG1-CZ 4.46Å; V797-F802 HydrophobicContact CG1-CB 4.1Å; S798-F802 WeakPolarHBondContact O-CB 3.48Å; S798-F802 PolarHBondContact O-N 2.78Å; T800-F802 PolarHBondContact O-N 2.91Å; F802-L805 PolarHBondContact O-N 3.3Å; F802-M806 HydrophobicContact CD1-CG 3.96Å; F802-M806 HydrophobicContact CD2-CG 4.42Å; F802-M806 HydrophobicContact CE1-CG 3.52Å; F802-M806 HydrophobicContact CE1-SD 4.49Å; F802-M806 HydrophobicContact CE2-CG 4.05Å; F802-M806 HydrophobicContact CE2-SD 4.31Å; F802-M806 HydrophobicContact CG-CG 4.39Å; F802-M806 HydrophobicContact CZ-CG 3.57Å; F802-M806 HydrophobicContact CZ-SD 3.98Å; F802-M806 WeakPolarHBondContact O-CB 3.43Å; F802-M806 VanDerWaalsContact O-CG 3.27Å; F802-M806 WeakPolarHBondContact O-CG 3.32Å; F802-M806 PolarHBondContact O-N 2.87Å
803	R	83.2	Confident	80.5	Confident	176 Å²	176	66.3 Å²	66.3	66%	0.664	33%	0.328	S	S	*	.	H	α-helix	trans	-64.2	-42	174.9	-74.7	174	177.8	-172.8	-0.3	112	I799 T800 E801 S807	I799-R803 VanDerWaalsContact O-CG 3.31Å; I799-R803 WeakPolarHBondContact O-CG 3.41Å; I799-R803 PolarHBondContact O-N 3.23Å; T800-R803 WeakPolarHBondContact O-CB 3.46Å; T800-R803 PolarHBondContact O-N 3.14Å; E801-R803 VanDerWaalsContact C-N 3.3Å; E801-R803 PolarHBondContact O-N 3.32Å; R803-S807 WeakPolarHBondContact O-CB 3.33Å; R803-S807 PolarHBondContact O-N 2.69Å; R803-S807 PolarHBondContact O-OG 3.18Å
804	I	83.3	Confident	80.7	Confident	40 Å²	40	66.6 Å²	66.6	21%	0.205	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-49	177.1	-68.1	169.7	0	0	0	109.7	S758 C761 K765 T800 E801 S807 T808	S758-I804 VanDerWaalsContact OG-CD1 3.28Å; S758-I804 WeakPolarHBondContact OG-CD1 3.26Å; C761-I804 HydrophobicContact CB-CG2 3.63Å; K765-I804 PolarHBondContact NZ-O 2.73Å; T800-I804 WeakPolarHBondContact O-CG1 3.43Å; T800-I804 PolarHBondContact O-N 3.23Å; E801-I804 PolarHBondContact O-N 3.24Å; E801-I804 VanDerWaalsContact O-N 3.14Å; I804-S807 WeakPolarHBondContact CA-OG 3.22Å; I804-S807 PolarHBondContact O-N 3.05Å; I804-S807 PolarHBondContact O-OG 3.24Å; I804-T808 PolarHBondContact O-N 3.37Å; I804-T808 PolarHBondContact O-OG1 3.11Å
805	L	84.5	Confident	81	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-52.7	177.6	-179.5	65.8	0	0	0	111.9	L788 H791 V792 E801 F802 S807 T808 L809	L788-L805 HydrophobicContact CB-CD1 3.94Å; L788-L805 HydrophobicContact CD2-CD1 4.33Å; H791-L805 HydrophobicContact CB-CD2 3.92Å; V792-L805 HydrophobicContact CB-CD2 4.29Å; V792-L805 HydrophobicContact CG2-CD2 3.6Å; V792-L805 HydrophobicContact CG2-CG 4.18Å; E801-L805 WeakPolarHBondContact O-CB 3.44Å; E801-L805 PolarHBondContact O-N 2.95Å; F802-L805 PolarHBondContact O-N 3.3Å; L805-S807 VanDerWaalsContact C-N 3.33Å; L805-S807 PolarHBondContact O-N 3.2Å; L805-T808 WeakPolarHBondContact O-CB 3.38Å; L805-T808 PolarHBondContact O-N 2.8Å; L805-T808 VanDerWaalsContact O-N 3.11Å; L805-L809 HydrophobicContact CG-CD1 4.34Å; L805-L809 WeakPolarHBondContact O-CG 3.42Å; L805-L809 PolarHBondContact O-N 3.36Å
806	M	87	Confident	81.4	Confident	45 Å²	45	59.7 Å²	59.7	22%	0.222	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-41.7	179.6	-73.7	-57.5	-59.8	0	0	111.7	V792 F802 T808 L809 Y810	V792-M806 HydrophobicContact CG1-SD 4.11Å; V792-M806 HydrophobicContact CG2-SD 4.44Å; F802-M806 HydrophobicContact CD1-CG 3.96Å; F802-M806 HydrophobicContact CD2-CG 4.42Å; F802-M806 HydrophobicContact CE1-CG 3.52Å; F802-M806 HydrophobicContact CE1-SD 4.49Å; F802-M806 HydrophobicContact CE2-CG 4.05Å; F802-M806 HydrophobicContact CE2-SD 4.31Å; F802-M806 HydrophobicContact CG-CG 4.39Å; F802-M806 HydrophobicContact CZ-CG 3.57Å; F802-M806 HydrophobicContact CZ-SD 3.98Å; F802-M806 WeakPolarHBondContact O-CB 3.43Å; F802-M806 VanDerWaalsContact O-CG 3.27Å; F802-M806 WeakPolarHBondContact O-CG 3.32Å; F802-M806 PolarHBondContact O-N 2.87Å; M806-T808 VanDerWaalsContact C-N 3.32Å; M806-T808 PolarHBondContact O-N 3.42Å; M806-L809 PolarHBondContact O-N 3.38Å; M806-L809 HydrophobicContact SD-CD1 4.14Å; M806-Y810 HydrophobicContact CB-CE2 4.32Å; M806-Y810 HydrophobicContact CE-CE2 3.7Å; M806-Y810 WeakPolarHBondContact O-CD2 3.44Å; M806-Y810 PolarHBondContact O-N 3.21Å
807	S	86.1	Confident	81.3	Confident	50 Å²	50	58.3 Å²	58.3	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-29.8	176	50.4	0	0	0	0	113.1	K765 R803 I804 L805 A811	K765-S807 WeakPolarHBondContact CE-OG 3.38Å; K765-S807 PolarHBondContact NZ-OG 3.47Å; R803-S807 WeakPolarHBondContact O-CB 3.33Å; R803-S807 PolarHBondContact O-N 2.69Å; R803-S807 PolarHBondContact O-OG 3.18Å; I804-S807 WeakPolarHBondContact CA-OG 3.22Å; I804-S807 PolarHBondContact O-N 3.05Å; I804-S807 PolarHBondContact O-OG 3.24Å; L805-S807 VanDerWaalsContact C-N 3.33Å; L805-S807 PolarHBondContact O-N 3.2Å; S807-A811 WeakPolarHBondContact O-CB 3.44Å; S807-A811 PolarHBondContact O-N 3.47Å
808	T	85.8	Confident	80.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-45.7	170	-50.2	0	0	0	0	110.9	C761 W764 K765 L788 I804 L805 M806 Y810 A811 L812	C761-T808 HydrophobicContact CB-CG2 4.46Å; C761-T808 VanDerWaalsContact CB-OG1 3.28Å; C761-T808 WeakPolarHBondContact CB-OG1 3.49Å; W764-T808 HydrophobicContact CB-CG2 4.02Å; K765-T808 VanDerWaalsContact CE-N 3.27Å; K765-T808 WeakPolarHBondContact CE-OG1 3.49Å; K765-T808 HydrophobicContact CG-CG2 4.14Å; L788-T808 HydrophobicContact CD1-CG2 4.06Å; I804-T808 PolarHBondContact O-N 3.37Å; I804-T808 PolarHBondContact O-OG1 3.11Å; L805-T808 WeakPolarHBondContact O-CB 3.38Å; L805-T808 PolarHBondContact O-N 2.8Å; L805-T808 VanDerWaalsContact O-N 3.11Å; M806-T808 VanDerWaalsContact C-N 3.32Å; M806-T808 PolarHBondContact O-N 3.42Å; T808-Y810 VanDerWaalsContact C-N 3.35Å; T808-Y810 PolarHBondContact O-N 3.19Å; T808-A811 PolarHBondContact O-N 2.8Å; T808-L812 HydrophobicContact CG2-CD1 4.24Å; T808-L812 WeakPolarHBondContact O-CG 3.11Å; T808-L812 PolarHBondContact O-N 2.98Å
809	L	87	Confident	78.9	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-61.4	-42.8	178.7	-69.5	172.7	0	0	0	111.5	F785 L788 V792 L805 M806 L812 L813	F785-L809 HydrophobicContact CD2-CD2 3.71Å; F785-L809 HydrophobicContact CE2-CB 4.04Å; F785-L809 HydrophobicContact CE2-CD2 3.6Å; F785-L809 HydrophobicContact CE2-CG 4.39Å; F785-L809 HydrophobicContact CG-CD2 4.31Å; F785-L809 HydrophobicContact CZ-CD2 4.14Å; L788-L809 HydrophobicContact CB-CD2 3.89Å; L788-L809 HydrophobicContact CD1-CD2 4.46Å; V792-L809 HydrophobicContact CG2-CD1 3.62Å; L805-L809 HydrophobicContact CG-CD1 4.34Å; L805-L809 WeakPolarHBondContact O-CG 3.42Å; L805-L809 PolarHBondContact O-N 3.36Å; M806-L809 PolarHBondContact O-N 3.38Å; M806-L809 HydrophobicContact SD-CD1 4.14Å; L809-L812 PolarHBondContact O-N 3.14Å; L809-L813 WeakPolarHBondContact O-CG 3.33Å; L809-L813 PolarHBondContact O-N 3.28Å
810	Y	87.1	Confident	77.2	Confident	135 Å²	135	64.3 Å²	64.3	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-45.1	173.7	-72.5	-58.3	0	0	0	111.8	M806 T808 L812 L813 D814	M806-Y810 HydrophobicContact CB-CE2 4.32Å; M806-Y810 HydrophobicContact CE-CE2 3.7Å; M806-Y810 WeakPolarHBondContact O-CD2 3.44Å; M806-Y810 PolarHBondContact O-N 3.21Å; T808-Y810 VanDerWaalsContact C-N 3.35Å; T808-Y810 PolarHBondContact O-N 3.19Å; Y810-L812 VanDerWaalsContact C-N 3.25Å; Y810-L812 PolarHBondContact O-N 2.82Å; Y810-L813 HydrophobicContact CD1-CD1 4.45Å; Y810-L813 PolarHBondContact O-N 2.86Å; Y810-L813 VanDerWaalsContact O-N 3.08Å; Y810-D814 VanDerWaalsContact O-CG 3.25Å; Y810-D814 PolarHBondContact O-N 3.42Å
811	A	84.9	Confident	75.4	Confident	30 Å²	30	64.9 Å²	64.9	25%	0.248	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-33	176.7	0	0	0	0	0	113.2	L768 S807 T808 Q815	L768-A811 HydrophobicContact CD1-CB 4.08Å; S807-A811 WeakPolarHBondContact O-CB 3.44Å; S807-A811 PolarHBondContact O-N 3.47Å; T808-A811 PolarHBondContact O-N 2.8Å; A811-Q815 PolarHBondContact O-N 2.83Å
812	L	85.4	Confident	73.6	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-69.5	-41.4	173.1	-72.1	166.4	0	0	0	111.8	L768 I780 I784 F785 L788 T808 L809 Y810 Q815 L816	L768-L812 HydrophobicContact CD1-CD2 3.64Å; L768-L812 HydrophobicContact CD1-CG 3.87Å; L768-L812 HydrophobicContact CD2-CD2 3.84Å; L768-L812 HydrophobicContact CG-CD2 4.19Å; I780-L812 HydrophobicContact CD1-CD2 4.48Å; I780-L812 HydrophobicContact CG1-CD2 4.29Å; I780-L812 HydrophobicContact CG2-CB 4.1Å; I780-L812 HydrophobicContact CG2-CD2 3.89Å; I784-L812 HydrophobicContact CG2-CD1 3.83Å; I784-L812 HydrophobicContact CG2-CD2 4.05Å; F785-L812 HydrophobicContact CD2-CB 4.22Å; F785-L812 HydrophobicContact CD2-CD1 4.36Å; L788-L812 HydrophobicContact CD1-CD1 4.04Å; T808-L812 HydrophobicContact CG2-CD1 4.24Å; T808-L812 WeakPolarHBondContact O-CG 3.11Å; T808-L812 PolarHBondContact O-N 2.98Å; L809-L812 PolarHBondContact O-N 3.14Å; Y810-L812 VanDerWaalsContact C-N 3.25Å; Y810-L812 PolarHBondContact O-N 2.82Å; L812-Q815 PolarHBondContact O-N 3.48Å; L812-L816 PolarHBondContact O-N 3.35Å
813	L	83.9	Confident	71.7	Confident	44 Å²	44	72.3 Å²	72.3	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-65.5	-40.7	176.5	-71	168.8	0	0	0	111.6	F785 L809 Y810 Q815 L816 D817	F785-L813 HydrophobicContact CD2-CD2 4.47Å; F785-L813 HydrophobicContact CD2-CG 4.48Å; F785-L813 HydrophobicContact CE2-CD1 3.97Å; F785-L813 HydrophobicContact CE2-CD2 3.79Å; F785-L813 HydrophobicContact CE2-CG 3.63Å; F785-L813 HydrophobicContact CZ-CD1 4.09Å; F785-L813 HydrophobicContact CZ-CD2 3.98Å; F785-L813 HydrophobicContact CZ-CG 4.11Å; L809-L813 WeakPolarHBondContact O-CG 3.33Å; L809-L813 PolarHBondContact O-N 3.28Å; Y810-L813 HydrophobicContact CD1-CD1 4.45Å; Y810-L813 PolarHBondContact O-N 2.86Å; Y810-L813 VanDerWaalsContact O-N 3.08Å; L813-Q815 PolarHBondContact O-N 2.71Å; L813-L816 WeakPolarHBondContact O-CA 3.23Å; L813-L816 WeakPolarHBondContact O-CB 3.4Å; L813-L816 PolarHBondContact O-N 3.48Å; L813-D817 PolarHBondContact O-N 2.98Å
814	D	81.1	Confident	69.4	Low	108 Å²	108	69.8 Å²	69.8	58%	0.578	38%	0.38	S	S	*	.	H	α-helix	trans	-59.2	-33	177.9	-69	-19.7	0	0	0	112	Y810 L816	Y810-D814 VanDerWaalsContact O-CG 3.25Å; Y810-D814 PolarHBondContact O-N 3.42Å; D814-L816 VanDerWaalsContact C-N 3.32Å
815	Q	78.3	Confident	67.2	Low	65 Å²	65	75.1 Å²	75.1	30%	0.304	41%	0.409	S	S	.	.	H	α-helix	trans	-71.7	-24.3	173.4	-71.7	-63.4	-34.8	0	0	113.5	L768 I780 A811 L812 L813 I818	L768-Q815 HydrophobicContact CD2-CG 3.72Å; I780-Q815 HydrophobicContact CD1-CB 4.27Å; A811-Q815 PolarHBondContact O-N 2.83Å; L812-Q815 PolarHBondContact O-N 3.48Å; L813-Q815 PolarHBondContact O-N 2.71Å; Q815-I818 WeakPolarHBondContact O-CG1 3.5Å
816	L	78.3	Confident	64.8	Low	36 Å²	36	82.3 Å²	82.3	19%	0.188	45%	0.447	C	S	.	.	H	α-helix	trans	-85.1	-24.2	177.1	-62.1	175.3	0	0	0	112	P777 I780 V781 L812 L813 D814 I818 I1066	P777-L816 HydrophobicContact CB-CD2 3.75Å; I780-L816 HydrophobicContact CB-CD2 4.29Å; I780-L816 HydrophobicContact CG2-CD1 4Å; I780-L816 HydrophobicContact CG2-CD2 4.22Å; I780-L816 HydrophobicContact CG2-CG 4.18Å; V781-L816 HydrophobicContact CG2-CD1 3.53Å; V781-L816 HydrophobicContact CG2-CD2 3.76Å; V781-L816 HydrophobicContact CG2-CG 4.31Å; L812-L816 PolarHBondContact O-N 3.35Å; L813-L816 WeakPolarHBondContact O-CA 3.23Å; L813-L816 WeakPolarHBondContact O-CB 3.4Å; L813-L816 PolarHBondContact O-N 3.48Å; D814-L816 VanDerWaalsContact C-N 3.32Å; L816-I818 PolarHBondContact O-N 3.14Å; L816-I1066 HydrophobicContact CD1-CD1 4.41Å
817	D	69.9	Low	62.3	Low	105 Å²	105	87.4 Å²	87.4	56%	0.561	48%	0.475	S	S	*	.			trans	-80.8	16.5	-177	-80.8	-13	0	0	0	114.2	L813 P819	L813-D817 PolarHBondContact O-N 2.98Å; D817-P819 WeakPolarHBondContact O-CD 3.16Å
818	I	55.9	Low	59.6	Low	97 Å²	97	92.5 Å²	92.5	50%	0.497	50%	0.498	S	S	.	.			trans	-56.3	116.3	178	-59.1	170.9	0	0	0	109.6	Q815 L816	Q815-I818 WeakPolarHBondContact O-CG1 3.5Å; L816-I818 PolarHBondContact O-N 3.14Å
819	P	43.3	Very low	57.1	Low	103 Å²	103	97.4 Å²	97.4	67%	0.669	53%	0.533	S	S	*	.			trans	-68.9	141.2	-171.2	25.5	-31.6	0	0	0	111	D817 A821	D817-P819 WeakPolarHBondContact O-CD 3.16Å; P819-A821 PolarHBondContact O-N 3.43Å
820	N	41.8	Very low	54.4	Low	124 Å²	124	106.4 Å²	106.4	66%	0.663	57%	0.571	S	S	*	*			trans	-64	72.4	175.8	-69.1	-35.2	0	0	0	111.4	E822	N820-E822 VanDerWaalsContact C-N 3.3Å; N820-E822 PolarHBondContact O-N 2.76Å
821	A	38.7	Very low	51.6	Low	94 Å²	94	104.7 Å²	104.7	78%	0.777	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	14.3	-175.3	0	0	0	0	0	115	P819	P819-A821 PolarHBondContact O-N 3.43Å
822	E	40.2	Very low	48.7	Very low	174 Å²	174	112 Å²	112	81%	0.813	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	16.8	-179.5	-71.9	-168.9	170.4	0	0	115.2	N820	N820-E822 VanDerWaalsContact C-N 3.3Å; N820-E822 PolarHBondContact O-N 2.76Å
823	N	39	Very low	45.9	Very low	85 Å²	85	121.4 Å²	121.4	46%	0.455	64%	0.641	S	S	.	*	S	Bend	trans	-133.1	18.1	173.3	-53.5	-77	0	0	0	115.4	R1056	N823-R1056 PolarHBondContact ND2-NH1 3.24Å; N823-R1056 PolarHBondContact OD1-NH1 3.46Å; N823-R1056 VanDerWaalsContact OD1-NH1 3.13Å
824	D	35.2	Very low	43	Very low	122 Å²	122	130 Å²	130	65%	0.652	67%	0.67	S	S	*	*			trans	-95.6	5.3	178.2	-81.6	-3.9	0	0	0	114.4	L826	D824-L826 PolarHBondContact O-N 3.04Å
825	D	38	Very low	40.3	Very low	152 Å²	152	130 Å²	130	81%	0.813	68%	0.675	S	S	*	*	S	Bend	trans	-86.2	110.1	158.5	-74.7	-23.5	0	0	0	108.2
826	L	34.3	Very low	37.7	Very low	152 Å²	152	132.9 Å²	132.9	80%	0.796	70%	0.697	S	S	*	*	S	Bend	trans	82.1	77.7	-179.1	-56	120	0	0	0	115.8	D824	D824-L826 PolarHBondContact O-N 3.04Å
827	N	33.4	Very low	35.1	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	72%	0.718	S	S	*	*				-178.8	119.9	109.5	-92.4	-41.7	0	0	0	111.4
828	D	31.1	Very low	32.9	Very low	157 Å²	157	133.9 Å²	133.9	84%	0.84	72%	0.717	S	S	*	*			trans	-46.1	136.3	169.4	-90	-46.9	0	0	0	113.5
829	S	32.2	Very low	31.4	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	74%	0.737	S	S	*	*	S	Bend	trans	64.3	77.5	151.6	71.9	0	0	0	0	117.3
830	K	31.3	Very low	30.5	Very low	195 Å²	195	138 Å²	138	85%	0.848	74%	0.737	S	S	*	*			trans	166.8	38.7	138.1	-91.6	167.1	-174.9	177.8	0	113.3	Q832	K830-Q832 VanDerWaalsContact C-N 3.28Å; K830-Q832 PolarHBondContact O-N 2.8Å
831	T	27.9	Very low	29.8	Very low	100 Å²	100	138.7 Å²	138.7	61%	0.613	75%	0.746	S	S	*	*			trans	-72.8	89.9	165.8	37.8	0	0	0	0	109.1	Y833	T831-Y833 PolarHBondContact O-N 2.59Å
832	Q	24.2	Very low	29.2	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	74%	0.744	S	S	*	*			trans	-61.3	95	168.6	-70.8	177.4	-20	0	0	108.6	K830 R834	K830-Q832 VanDerWaalsContact C-N 3.28Å; K830-Q832 PolarHBondContact O-N 2.8Å; Q832-R834 PolarHBondContact O-N 3.07Å
833	Y	25.2	Very low	28.6	Very low	197 Å²	197	137.9 Å²	137.9	77%	0.773	74%	0.74	S	S	*	*			trans	-57.3	107.8	158.3	-71.6	-85.4	0	0	0	107.5	T831 T835	T831-Y833 PolarHBondContact O-N 2.59Å; Y833-T835 PolarHBondContact O-N 3.44Å
834	R	23.3	Very low	28.1	Very low	224 Å²	224	139.8 Å²	139.8	85%	0.845	76%	0.757	S	S	*	*			trans	-73.9	86.6	170.1	-173.4	175.1	-172.5	159.3	0.3	107.3	Q832 V836	Q832-R834 PolarHBondContact O-N 3.07Å; R834-V836 PolarHBondContact O-N 2.72Å; R834-V836 VanDerWaalsContact O-N 3.1Å
835	T	24.8	Very low	27.7	Very low	110 Å²	110	139.7 Å²	139.7	68%	0.675	77%	0.766	S	S	*	*			trans	-55.4	115	159.6	-28.7	0	0	0	0	106.4	Y833 P837	Y833-T835 PolarHBondContact O-N 3.44Å; T835-P837 WeakPolarHBondContact O-CD 3.14Å
836	V	23	Very low	27.3	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	77%	0.768	S	S	*	*			trans	-49.3	119.6	169.8	-177.4	0	0	0	0	106.2	R834 A838	R834-V836 PolarHBondContact O-N 2.72Å; R834-V836 VanDerWaalsContact O-N 3.1Å; V836-A838 VanDerWaalsContact C-N 3.35Å; V836-A838 PolarHBondContact O-N 2.66Å
837	P	24.1	Very low	26.9	Very low	97 Å²	97	135.3 Å²	135.3	63%	0.63	76%	0.764	S	S	*	*			trans	-68.3	98.5	-172.3	25.6	-30.9	0	0	0	107.7	T835 L839	T835-P837 WeakPolarHBondContact O-CD 3.14Å; P837-L839 PolarHBondContact O-N 3.44Å
838	A	24.9	Very low	26.5	Very low	65 Å²	65	134.1 Å²	134.1	54%	0.537	77%	0.768	S	S	.	*			trans	-55.2	120.6	150.5	0	0	0	0	0	104.8	V836 T840	V836-A838 VanDerWaalsContact C-N 3.35Å; V836-A838 PolarHBondContact O-N 2.66Å; A838-T840 PolarHBondContact O-N 2.97Å
839	L	24.3	Very low	26.2	Very low	176 Å²	176	130.4 Å²	130.4	92%	0.921	77%	0.766	S	S	*	*			trans	-57.2	81.5	175.3	-82.4	129.3	0	0	0	109.3	P837 V841	P837-L839 PolarHBondContact O-N 3.44Å; L839-V841 PolarHBondContact O-N 3.41Å
840	T	24.5	Very low	25.7	Very low	111 Å²	111	134.2 Å²	134.2	68%	0.681	77%	0.773	S	S	*	*			trans	-82.9	101.6	171.8	46.3	0	0	0	0	106.2	A838 N842	A838-T840 PolarHBondContact O-N 2.97Å; T840-N842 PolarHBondContact O-N 2.83Å
841	V	26.5	Very low	25.3	Very low	138 Å²	138	132.9 Å²	132.9	84%	0.836	77%	0.773	S	S	*	*			trans	-57.2	110.7	165.8	-178.4	0	0	0	0	106.7	L839 P843	L839-V841 PolarHBondContact O-N 3.41Å; V841-P843 WeakPolarHBondContact O-CD 3.03Å
842	N	26.3	Very low	25.1	Very low	139 Å²	139	133.2 Å²	133.2	74%	0.743	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-61.5	119.9	-177.9	-71.7	-37.2	0	0	0	109.7	T840	T840-N842 PolarHBondContact O-N 2.83Å
843	P	28	Very low	24.9	Very low	112 Å²	112	134.1 Å²	134.1	73%	0.727	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.1	152.9	172.1	29	-31.4	0	0	0	110.2	V841 S845	V841-P843 WeakPolarHBondContact O-CD 3.03Å; P843-S845 PolarHBondContact O-N 3.47Å
844	P	28.4	Very low	24.7	Very low	125 Å²	125	136.2 Å²	136.2	81%	0.812	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.7	127.6	-171.3	-14.6	28.2	0	0	0	111.4	V846	P844-V846 PolarHBondContact O-N 3.31Å
845	S	25.7	Very low	24.7	Very low	120 Å²	120	129.7 Å²	129.7	84%	0.839	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-55.4	118	176.4	46.6	0	0	0	0	112.6	P843	P843-S845 PolarHBondContact O-N 3.47Å
846	V	29	Very low	24.6	Very low	142 Å²	142	129.2 Å²	129.2	86%	0.861	78%	0.777	S	S	*	*			trans	-117.8	111.2	160.8	-176.8	0	0	0	0	108.5	P844	P844-V846 PolarHBondContact O-N 3.31Å
847	G	26.7	Very low	24.7	Very low	69 Å²	69	131 Å²	131	71%	0.711	78%	0.783	S	S	*	*			trans	60.8	98.1	141.4	0	0	0	0	0	118.8
848	S	24.3	Very low	24.4	Very low	128 Å²	128	131.8 Å²	131.8	90%	0.895	79%	0.789	S	S	*	*			trans	-39.3	133.8	162.8	51.5	0	0	0	0	116.5
849	G	24.6	Very low	24.5	Very low	79 Å²	79	138.1 Å²	138.1	81%	0.814	81%	0.808	S	S	*	*			trans	-145.4	106.9	158.7	0	0	0	0	0	109.9
850	Q	22.8	Very low	24.3	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	80%	0.802	S	S	*	*			trans	-66.3	151.8	171.8	-66.6	172.3	-25	0	0	110.4
851	I	23.4	Very low	24.4	Very low	166 Å²	166	140 Å²	140	85%	0.851	81%	0.814	S	S	*	*				174.5	119.8	124	-85.4	152.5	0	0	0	111.9
852	S	22.3	Very low	24.2	Very low	107 Å²	107	141.5 Å²	141.5	75%	0.748	81%	0.812	S	S	*	*			trans	48.8	107.4	139.8	-151.9	0	0	0	0	123.7
853	K	21.7	Very low	24.1	Very low	203 Å²	203	142.1 Å²	142.1	88%	0.883	82%	0.815	S	S	*	*			trans	-6.9	134.3	134.3	-62.4	176	176.4	-179.3	0	117.7
854	R	20.2	Very low	23.9	Very low	240 Å²	240	144 Å²	144	91%	0.906	82%	0.824	S	S	*	*			trans	-148.5	107.9	147.3	-161.2	163.6	-171.6	-178.9	1.9	112.6
855	S	22.8	Very low	23.7	Very low	88 Å²	88	149.4 Å²	149.4	62%	0.615	83%	0.828	S	S	*	*			trans	22.1	118.7	145.1	60.7	0	0	0	0	122.3
856	S	22.4	Very low	23.5	Very low	99 Å²	99	152.8 Å²	152.8	69%	0.692	83%	0.834	S	S	*	*				33	132.7	120.9	63.9	0	0	0	0	121.2
857	N	24.8	Very low	23.3	Very low	163 Å²	163	151 Å²	151	87%	0.872	83%	0.833	S	S	*	*				-159.5	131.8	117.3	-94.5	-9.7	0	0	0	111.6
858	C	19.4	Very low	23.1	Very low	114 Å²	114	157.7 Å²	157.7	77%	0.77	84%	0.843	S	S	*	*			trans	-81.1	148.8	169.8	-63.2	0	0	0	0	109.7
859	E	25.4	Very low	23	Very low	197 Å²	197	162 Å²	162	92%	0.921	85%	0.846	S	S	*	*			trans	-143.7	127.2	142	-74.1	-164.8	154.5	0	0	110.2
860	N	21.6	Very low	22.9	Very low	149 Å²	149	163.1 Å²	163.1	80%	0.797	84%	0.84	S	S	*	*			trans	-73.7	151.1	173.9	-65.8	-44.1	0	0	0	110.5
861	L	26.1	Very low	23	Very low	179 Å²	179	162.7 Å²	162.7	94%	0.937	84%	0.842	S	S	*	*			trans	-151.9	129.4	152.4	-105.1	147.6	0	0	0	110.7
862	E	22.6	Very low	23.1	Very low	169 Å²	169	160.9 Å²	160.9	79%	0.79	84%	0.839	S	S	*	*			trans	-80.6	153.9	-166.1	-62.9	168.5	140.1	0	0	114.3
863	D	23.5	Very low	23.1	Very low	152 Å²	152	166.4 Å²	166.4	81%	0.813	84%	0.843	S	S	*	*			trans	32.5	119.8	140.4	-69.2	-23	0	0	0	120.8
864	T	25.1	Very low	23.1	Very low	150 Å²	150	163.8 Å²	163.8	92%	0.92	85%	0.845	S	S	*	*			trans	-151.5	124	139.3	-6.9	0	0	0	0	114.5
865	R	22.8	Very low	23.3	Very low	239 Å²	239	158.4 Å²	158.4	90%	0.902	84%	0.839	S	S	*	*			trans	-38	129.5	176.2	-68.9	167.1	174.5	177.9	-2.1	118.4
866	M	21.6	Very low	23.4	Very low	192 Å²	192	158.5 Å²	158.5	95%	0.946	85%	0.845	S	S	*	*				21.9	107.8	126.7	-71	-87.4	-88.3	0	0	118.5
867	A	24.8	Very low	23.5	Very low	103 Å²	103	159.3 Å²	159.3	85%	0.851	85%	0.851	S	S	*	*			trans	-130.3	149.2	160.5	0	0	0	0	0	110.9
868	K	23.1	Very low	23.5	Very low	210 Å²	210	161.1 Å²	161.1	91%	0.913	85%	0.851	S	S	*	*			trans	-73.3	143.7	-155.2	-72.9	163.8	171.8	172.5	0	114.8	S870	K868-S870 PolarHBondContact O-N 2.88Å
869	K	22.1	Very low	23.9	Very low	220 Å²	220	161.6 Å²	161.6	96%	0.957	85%	0.85	S	S	*	*			trans	-54.4	114.9	175.9	-69.7	171.7	172.7	177	0	112.4
870	S	22.1	Very low	24	Very low	101 Å²	101	157.8 Å²	157.8	71%	0.706	84%	0.842	S	S	*	*			trans	-109.9	130	158.8	59.9	0	0	0	0	109.7	K868 T872	K868-S870 PolarHBondContact O-N 2.88Å; S870-T872 PolarHBondContact O-N 2.83Å
871	I	24.9	Very low	24.3	Very low	176 Å²	176	159 Å²	159	90%	0.903	85%	0.846	S	S	*	*			trans	-50.5	118.3	179.7	-64.8	149.1	0	0	0	111.2
872	T	25.2	Very low	24.6	Very low	127 Å²	127	155.4 Å²	155.4	78%	0.779	83%	0.827	S	S	*	*			trans	-133.9	129	166.2	50.5	0	0	0	0	111.1	S870	S870-T872 PolarHBondContact O-N 2.83Å
873	R	22.8	Very low	25.1	Very low	223 Å²	223	152.6 Å²	152.6	84%	0.842	81%	0.813	S	S	*	*			trans	-37.3	139.1	173.7	-79.4	170.3	162.3	174.9	-6.5	113.3	T875	R873-T875 PolarHBondContact O-N 3.39Å
874	T	23.2	Very low	25.9	Very low	148 Å²	148	149.2 Å²	149.2	91%	0.908	80%	0.8	S	S	*	*			trans	-36.1	99.9	162.7	45.2	0	0	0	0	112.5
875	T	24.4	Very low	26.6	Very low	128 Å²	128	147 Å²	147	79%	0.785	78%	0.782	S	S	*	*			trans	-112.1	127.1	166.9	51.3	0	0	0	0	109.2	R873	R873-T875 PolarHBondContact O-N 3.39Å
876	A	24	Very low	27.3	Very low	90 Å²	90	140 Å²	140	74%	0.744	76%	0.76	S	S	*	*			trans	-46.2	143.6	178	0	0	0	0	0	113.1	F878	A876-F878 PolarHBondContact O-N 3.21Å
877	S	24.3	Very low	28.3	Very low	116 Å²	116	135 Å²	135	81%	0.811	74%	0.736	S	S	*	*			trans	-52.8	101.6	-179.7	53.8	0	0	0	0	112.1	V879	S877-V879 PolarHBondContact O-N 3.41Å
878	F	24.1	Very low	29.2	Very low	200 Å²	200	136.6 Å²	136.6	88%	0.877	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-75.9	116.2	167.2	-110.5	-92.3	0	0	0	108.9	A876	A876-F878 PolarHBondContact O-N 3.21Å
879	V	28.6	Very low	30.3	Very low	124 Å²	124	133.4 Å²	133.4	75%	0.752	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-85.1	129.5	165.4	178.4	0	0	0	0	107.4	S877 M881	S877-V879 PolarHBondContact O-N 3.41Å; V879-M881 PolarHBondContact O-N 3.41Å
880	P	27.9	Very low	31.1	Very low	117 Å²	117	128 Å²	128	76%	0.76	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-69.4	129.5	-168.2	-10.1	24.7	0	0	0	111.5
881	M	28	Very low	32.3	Very low	175 Å²	175	130.1 Å²	130.1	86%	0.862	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-68.6	128.3	173.6	-160.1	176.1	75.3	0	0	109.5	V879 H883	V879-M881 PolarHBondContact O-N 3.41Å; M881-H883 PolarHBondContact O-N 3.37Å
882	L	31.5	Very low	33.3	Very low	103 Å²	103	128.1 Å²	128.1	54%	0.539	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-59.4	137.1	176.5	-76.8	161.7	0	0	0	110.4
883	H	32.9	Very low	33.8	Very low	111 Å²	111	124.3 Å²	124.3	51%	0.514	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-65	141.1	-176.8	-173.6	-92.1	0	0	0	110.3	M881 N885 Q886	M881-H883 PolarHBondContact O-N 3.37Å; H883-N885 PolarHBondContact ND1-N 3Å; H883-N885 PolarHBondContact O-N 2.98Å; H883-Q886 WeakPolarHBondContact O-CB 3.38Å; H883-Q886 PolarHBondContact O-N 3.19Å
884	P	39.8	Very low	34.8	Very low	81 Å²	81	119.4 Å²	119.4	53%	0.526	66%	0.658	S	S	.	*	H	α-helix	trans	-53.1	-29.4	-174.3	-28.3	33.8	0	0	0	115.4	I887 K888	P884-I887 PolarHBondContact O-N 3.25Å; P884-K888 PolarHBondContact O-N 3.21Å
885	N	39.9	Very low	35.4	Very low	103 Å²	103	119.8 Å²	119.8	55%	0.551	66%	0.655	S	S	*	*	H	α-helix	trans	-69.3	-31.6	176.4	-64.8	-11.6	0	0	0	112.9	H883 I887 K888 E889	H883-N885 PolarHBondContact ND1-N 3Å; H883-N885 PolarHBondContact O-N 2.98Å; N885-I887 VanDerWaalsContact C-N 3.3Å; N885-K888 PolarHBondContact O-N 2.78Å; N885-E889 PolarHBondContact O-N 3.05Å
886	Q	39	Very low	35.9	Very low	92 Å²	92	119.5 Å²	119.5	43%	0.43	65%	0.647	S	S	.	*	H	α-helix	trans	-70.2	-30.4	175.8	-65	177.2	-46	0	0	111.4	H883 E889 L890	H883-Q886 WeakPolarHBondContact O-CB 3.38Å; H883-Q886 PolarHBondContact O-N 3.19Å; Q886-E889 PolarHBondContact O-N 3.18Å; Q886-L890 WeakPolarHBondContact O-CG 3.46Å; Q886-L890 PolarHBondContact O-N 2.81Å; Q886-L890 VanDerWaalsContact O-N 3.08Å
887	I	42.7	Very low	36.3	Very low	86 Å²	86	121.8 Å²	121.8	44%	0.441	65%	0.652	S	S	.	*	H	α-helix	trans	-67.4	-42.8	173.2	-59.3	175.1	0	0	0	110.1	P884 N885 E889 L890 E891	P884-I887 PolarHBondContact O-N 3.25Å; N885-I887 VanDerWaalsContact C-N 3.3Å; I887-E889 PolarHBondContact O-N 3.24Å; I887-L890 PolarHBondContact O-N 3.44Å; I887-E891 PolarHBondContact O-N 3.15Å
888	K	43.7	Very low	36.5	Very low	138 Å²	138	128 Å²	128	60%	0.6	66%	0.658	S	S	*	*	H	α-helix	trans	-65.6	-35	175.3	-82.3	-175.4	174.1	179.9	0	113.6	P884 N885 E891 N892	P884-K888 PolarHBondContact O-N 3.21Å; N885-K888 PolarHBondContact O-N 2.78Å; K888-E891 PolarHBondContact O-N 2.93Å; K888-N892 PolarHBondContact O-N 2.77Å; K888-N892 PolarHBondContact O-ND2 3.06Å
889	E	45.5	Very low	36.7	Very low	142 Å²	142	128.7 Å²	128.7	66%	0.664	66%	0.655	S	S	*	*	H	α-helix	trans	-68	-36.2	173.2	-81.8	-176.2	153.2	0	0	112.4	N885 Q886 I887 N892 S893	N885-E889 PolarHBondContact O-N 3.05Å; Q886-E889 PolarHBondContact O-N 3.18Å; I887-E889 PolarHBondContact O-N 3.24Å; E889-N892 PolarHBondContact O-N 2.97Å; E889-S893 PolarHBondContact O-N 3.42Å; E889-S893 PolarHBondContact O-OG 3.44Å
890	L	39.3	Very low	36.6	Very low	107 Å²	107	127.8 Å²	127.8	56%	0.56	66%	0.66	S	S	*	*	H	α-helix	trans	-69.1	-31.7	174.7	-78.8	163.8	0	0	0	112.9	Q886 I887 S893	Q886-L890 WeakPolarHBondContact O-CG 3.46Å; Q886-L890 PolarHBondContact O-N 2.81Å; Q886-L890 VanDerWaalsContact O-N 3.08Å; I887-L890 PolarHBondContact O-N 3.44Å; L890-S893 PolarHBondContact O-OG 3.44Å
891	E	47.5	Very low	36.5	Very low	145 Å²	145	125.7 Å²	125.7	68%	0.678	65%	0.649	S	S	*	*	H	α-helix	trans	-70.4	-31.9	173.7	-74.7	-179.7	165	0	0	112.6	I887 K888	I887-E891 PolarHBondContact O-N 3.15Å; K888-E891 PolarHBondContact O-N 2.93Å
892	N	45	Very low	36.3	Very low	135 Å²	135	122.1 Å²	122.1	72%	0.722	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	5.3	-176.6	-72.2	-29.5	0	0	0	114.8	K888 E889 P894	K888-N892 PolarHBondContact O-N 2.77Å; K888-N892 PolarHBondContact O-ND2 3.06Å; E889-N892 PolarHBondContact O-N 2.97Å; N892-P894 WeakPolarHBondContact O-CD 3.22Å
893	S	36.9	Very low	36.1	Very low	46 Å²	46	124 Å²	124	32%	0.322	65%	0.652	S	S	.	*			trans	-113	92.3	-179.7	36.9	0	0	0	0	111.4	E889 L890 N895	E889-S893 PolarHBondContact O-N 3.42Å; E889-S893 PolarHBondContact O-OG 3.44Å; L890-S893 PolarHBondContact O-OG 3.44Å; S893-N895 PolarHBondContact O-N 2.97Å
894	P	42.7	Very low	35.7	Very low	120 Å²	120	125 Å²	125	78%	0.779	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	3.1	-166.2	26.8	-33.5	0	0	0	116.1	N892	N892-P894 WeakPolarHBondContact O-CD 3.22Å
895	N	36.3	Very low	35	Very low	157 Å²	157	127.7 Å²	127.7	84%	0.84	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	19.4	-169.7	-77.9	-23.8	0	0	0	116	S893	S893-N895 PolarHBondContact O-N 2.97Å
896	I	33.6	Very low	34.2	Very low	122 Å²	122	127.8 Å²	127.8	63%	0.626	68%	0.682	S	S	*	*			trans	-99	119.9	172	-64.8	173.4	0	0	0	110.1	R898	I896-R898 PolarHBondContact O-N 2.77Å
897	T	33.9	Very low	33.6	Very low	138 Å²	138	129.1 Å²	129.1	85%	0.847	70%	0.698	S	S	*	*			trans	-60.3	113.9	176.9	32.3	0	0	0	0	110.7	R899	T897-R899 PolarHBondContact O-N 3.06Å
898	R	28.5	Very low	32.8	Very low	247 Å²	247	132.6 Å²	132.6	93%	0.932	72%	0.717	S	S	*	*			trans	-60.9	107.6	-178.3	-64.7	-177.4	-174.1	-166.8	0.4	110.7	I896 A900	I896-R898 PolarHBondContact O-N 2.77Å; R898-A900 PolarHBondContact O-N 2.95Å
899	R	27.2	Very low	32	Very low	213 Å²	213	131.2 Å²	131.2	80%	0.804	72%	0.722	S	S	*	*			trans	-74.1	113.1	165.3	-155.8	178.1	-170.4	-174.4	2.1	106.8	T897 S901	T897-R899 PolarHBondContact O-N 3.06Å; R899-S901 VanDerWaalsContact C-N 3.26Å; R899-S901 PolarHBondContact O-N 2.88Å
900	A	26.5	Very low	31.2	Very low	105 Å²	105	130.3 Å²	130.3	87%	0.868	73%	0.729	S	S	*	*			trans	-69	82.8	177.3	0	0	0	0	0	110.2	R898	R898-A900 PolarHBondContact O-N 2.95Å
901	S	25.1	Very low	30.7	Very low	74 Å²	74	134.1 Å²	134.1	52%	0.517	74%	0.744	S	S	.	*			trans	-79.2	113.2	156	43.3	0	0	0	0	106.8	R899 H903	R899-S901 VanDerWaalsContact C-N 3.26Å; R899-S901 PolarHBondContact O-N 2.88Å; S901-H903 PolarHBondContact O-CD2 3.14Å; S901-H903 VanDerWaalsContact O-CD2 3.32Å; S901-H903 PolarHBondContact O-N 3.32Å; S901-H903 PolarHBondContact OG-CD2 2.95Å; S901-H903 PolarHBondContact OG-NE2 3.14Å
902	A	25.3	Very low	29.6	Very low	99 Å²	99	135.2 Å²	135.2	82%	0.818	75%	0.754	S	S	*	*			trans	-63.3	83.7	174.9	0	0	0	0	0	109.5	V904	A902-V904 PolarHBondContact O-N 3.35Å
903	H	25.7	Very low	28.7	Very low	143 Å²	143	133.5 Å²	133.5	66%	0.662	75%	0.753	S	S	*	*			trans	-75.4	103.5	166.3	-68.4	-68.5	0	0	0	107	S901 I905	S901-H903 PolarHBondContact O-CD2 3.14Å; S901-H903 VanDerWaalsContact O-CD2 3.32Å; S901-H903 PolarHBondContact O-N 3.32Å; S901-H903 PolarHBondContact OG-CD2 2.95Å; S901-H903 PolarHBondContact OG-NE2 3.14Å; H903-I905 HydrophobicContact CB-CG1 4.17Å; H903-I905 PolarHBondContact O-N 3.14Å
904	V	25.4	Very low	28.2	Very low	131 Å²	131	138.9 Å²	138.9	79%	0.794	78%	0.778	S	S	*	*			trans	-66.1	88	160.1	179.3	0	0	0	0	105.7	A902 C906	A902-V904 PolarHBondContact O-N 3.35Å; V904-C906 PolarHBondContact O-N 3.26Å; V904-C906 VanDerWaalsContact O-N 3.08Å
905	I	24.9	Very low	27.3	Very low	139 Å²	139	140.1 Å²	140.1	71%	0.713	78%	0.777	S	S	*	*			trans	-70.8	100	171.7	-62.8	170	0	0	0	105.7	H903 P907	H903-I905 HydrophobicContact CB-CG1 4.17Å; H903-I905 PolarHBondContact O-N 3.14Å; I905-P907 VanDerWaalsContact O-CD 3.27Å; I905-P907 WeakPolarHBondContact O-CD 3.21Å
906	C	23.6	Very low	26.7	Very low	104 Å²	104	144.7 Å²	144.7	70%	0.703	78%	0.783	S	S	*	*			trans	-68.8	112.9	164.2	-70.8	0	0	0	0	107.3	V904 L908	V904-C906 PolarHBondContact O-N 3.26Å; V904-C906 VanDerWaalsContact O-N 3.08Å; C906-L908 PolarHBondContact O-N 2.68Å
907	P	26.5	Very low	26.3	Very low	120 Å²	120	147.5 Å²	147.5	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.6	121.6	-179.9	-10.3	25.7	0	0	0	108.7	I905	I905-P907 VanDerWaalsContact O-CD 3.27Å; I905-P907 WeakPolarHBondContact O-CD 3.21Å
908	L	26.2	Very low	25.9	Very low	160 Å²	160	149.2 Å²	149.2	84%	0.838	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.7	143.3	165.8	-81.3	151.6	0	0	0	109.2	C906	C906-L908 PolarHBondContact O-N 2.68Å
909	P	25.9	Very low	25.8	Very low	108 Å²	108	147 Å²	147	70%	0.701	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-61.7	136.6	-170.7	25	-33.5	0	0	0	110.9	Q911	P909-Q911 PolarHBondContact O-N 3.39Å
910	P	29.5	Very low	26.2	Very low	124 Å²	124	142.7 Å²	142.7	81%	0.805	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.1	124.5	-171	16.4	-12.4	0	0	0	110.3
911	Q	28.1	Very low	26.1	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-71.2	128.3	165.2	-65.8	-151.5	-6.4	0	0	108.9	P909 S913	P909-Q911 PolarHBondContact O-N 3.39Å; Q911-S913 PolarHBondContact O-N 2.85Å
912	N	24.8	Very low	26.1	Very low	167 Å²	167	145.2 Å²	145.2	89%	0.893	80%	0.797	S	S	*	*			trans	-53.2	115.1	178.9	-71.8	-33	0	0	0	112
913	S	26	Very low	26	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	80%	0.799	S	S	*	*			trans	-166.7	122.6	141.2	51.9	0	0	0	0	110.4	Q911	Q911-S913 PolarHBondContact O-N 2.85Å
914	D	26.5	Very low	26.1	Very low	159 Å²	159	149.4 Å²	149.4	85%	0.85	81%	0.809	S	S	*	*			trans	79.3	86	151.4	-54.8	-24	0	0	0	120.4	R916	D914-R916 PolarHBondContact O-N 2.75Å
915	L	23.8	Very low	26.1	Very low	147 Å²	147	150.7 Å²	150.7	77%	0.77	81%	0.812	S	S	*	*			trans	-27.2	117.5	141.7	-71.9	149.6	0	0	0	114.5	F917	L915-F917 HydrophobicContact CD2-CD2 4.35Å; L915-F917 HydrophobicContact CD2-CE2 3.8Å
916	R	24.7	Very low	26	Very low	252 Å²	252	152.3 Å²	152.3	95%	0.951	82%	0.821	S	S	*	*			trans	-146.7	113	140	-85.9	-167.2	-175.4	175.4	2.1	110.2	D914	D914-R916 PolarHBondContact O-N 2.75Å
917	F	24.6	Very low	26	Very low	181 Å²	181	152.3 Å²	152.3	79%	0.794	82%	0.822	S	S	*	*			trans	-74.1	134.7	169.1	-77.3	-96.3	0	0	0	109.4	L915	L915-F917 HydrophobicContact CD2-CD2 4.35Å; L915-F917 HydrophobicContact CD2-CE2 3.8Å
918	D	26	Very low	26.1	Very low	175 Å²	175	153.9 Å²	153.9	94%	0.936	82%	0.824	S	S	*	*			trans	-149.9	138.7	143.5	-94.1	-36.6	0	0	0	111.3
919	K	26.1	Very low	26	Very low	200 Å²	200	156 Å²	156	87%	0.87	83%	0.826	S	S	*	*			trans	-79.5	161.7	-163	-97.8	170.9	172.9	172.3	0	114.1
920	P	34.5	Very low	26.1	Very low	123 Å²	123	159.2 Å²	159.2	80%	0.799	83%	0.829	S	S	*	*			trans	-90.1	153	-173.3	36.9	-33.3	0	0	0	113.2
921	T	24.8	Very low	26	Very low	130 Å²	130	161.2 Å²	161.2	80%	0.798	83%	0.833	S	S	*	*			trans	-124.3	127.5	172.6	41.8	0	0	0	0	112.7
922	S	26.2	Very low	26	Very low	101 Å²	101	163 Å²	163	71%	0.706	83%	0.834	S	S	*	*			trans	67.2	91.9	144.2	61	0	0	0	0	120.6
923	D	23.1	Very low	26.1	Very low	160 Å²	160	162 Å²	162	86%	0.856	83%	0.833	S	S	*	*				17.5	112.1	113.4	-58.6	-35	0	0	0	118.5
924	I	26.7	Very low	26.2	Very low	170 Å²	170	160.5 Å²	160.5	87%	0.872	82%	0.823	S	S	*	*			trans	-134.1	131.1	150.5	-63.2	-177.2	0	0	0	109.8
925	N	25.6	Very low	26.7	Very low	158 Å²	158	162.9 Å²	162.9	85%	0.845	83%	0.826	S	S	*	*			trans	-65.5	146	-165	-77.8	-52.5	0	0	0	116.8
926	L	22.4	Very low	27	Very low	174 Å²	174	162.7 Å²	162.7	91%	0.911	83%	0.825	S	S	*	*			trans	-73.3	130	165.2	-75.6	102.7	0	0	0	113.1
927	S	24.1	Very low	27.3	Very low	103 Å²	103	154.2 Å²	154.2	72%	0.72	82%	0.816	S	S	*	*			trans	-178.1	111.4	144.3	53.8	0	0	0	0	106.4
928	D	28	Very low	27.4	Very low	153 Å²	153	151.8 Å²	151.8	82%	0.818	81%	0.811	S	S	*	*				-164.5	134.7	76.5	-86.5	-35.5	0	0	0	111.6	K930	D928-K930 PolarHBondContact O-N 2.79Å
929	K	24.9	Very low	27.7	Very low	205 Å²	205	152.7 Å²	152.7	89%	0.891	81%	0.809	S	S	*	*			trans	-67.3	115.5	175	-69.7	171.2	177	170.1	0	110.5
930	K	27.1	Very low	28	Very low	175 Å²	175	149.6 Å²	149.6	76%	0.761	80%	0.802	S	S	*	*			trans	-122.3	128.2	160.3	-74.1	-174.1	179.8	176.6	0	110.2	D928 Y932	D928-K930 PolarHBondContact O-N 2.79Å; K930-Y932 WeakPolarHBondContact O-CD2 3.33Å; K930-Y932 WeakPolarHBondContact O-CE2 3.22Å
931	N	27.4	Very low	27.7	Very low	166 Å²	166	147.4 Å²	147.4	89%	0.888	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-66.9	123.2	-171.3	-66.6	-35.6	0	0	0	111.6
932	Y	29.3	Very low	28.3	Very low	226 Å²	226	144.3 Å²	144.3	89%	0.886	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-90.8	121.2	177.5	-64.7	-83.1	0	0	0	110.6	K930	K930-Y932 WeakPolarHBondContact O-CD2 3.33Å; K930-Y932 WeakPolarHBondContact O-CE2 3.22Å
933	T	25.8	Very low	28.9	Very low	145 Å²	145	144.6 Å²	144.6	89%	0.89	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-87.4	126.8	167.9	45.8	0	0	0	0	108.9
934	S	28	Very low	29.7	Very low	68 Å²	68	141.2 Å²	141.2	48%	0.476	76%	0.757	S	S	.	*	P	Polyproline II helix	trans	-91.5	152.7	175.8	75.1	0	0	0	0	111.3	L936 G937	S934-L936 PolarHBondContact O-N 3.35Å; S934-G937 PolarHBondContact O-N 3.03Å
935	F	37.1	Very low	30.2	Very low	208 Å²	208	139.8 Å²	139.8	91%	0.912	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	0.5	-164.7	-176.2	-104.6	0	0	0	116.6
936	L	31.2	Very low	30.6	Very low	144 Å²	144	137.4 Å²	137.4	75%	0.754	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	19.6	175.7	-70.1	174.4	0	0	0	114.1	S934 L938	S934-L936 PolarHBondContact O-N 3.35Å; L936-L938 PolarHBondContact O-N 3.34Å
937	G	30.2	Very low	31.2	Very low	74 Å²	74	138.5 Å²	138.5	76%	0.763	72%	0.724	S	S	*	*			trans	65.7	-0.4	169.5	0	0	0	0	0	115.5	S934 Q939	S934-G937 PolarHBondContact O-N 3.03Å; G937-Q939 PolarHBondContact O-N 3.24Å
938	L	27.9	Very low	31.8	Very low	130 Å²	130	143 Å²	143	68%	0.681	73%	0.725	S	S	*	*			trans	-82.8	112.3	173.5	-65.4	174.5	0	0	0	108.8	L936 L940	L936-L938 PolarHBondContact O-N 3.34Å; L938-L940 PolarHBondContact O-N 3.4Å
939	Q	30.8	Very low	32	Very low	193 Å²	193	142.8 Å²	142.8	90%	0.902	72%	0.718	S	S	*	*			trans	-70.6	79.3	175.2	-168.3	167.5	-5	0	0	109.6	G937	G937-Q939 PolarHBondContact O-N 3.24Å
940	L	32	Very low	32.4	Very low	136 Å²	136	137.9 Å²	137.9	71%	0.712	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-64.4	125.1	171.3	-75.9	159	0	0	0	108.6	L938 S942	L938-L940 PolarHBondContact O-N 3.4Å; L940-S942 PolarHBondContact O-N 2.76Å
941	P	29.6	Very low	32.7	Very low	77 Å²	77	134.5 Å²	134.5	50%	0.5	71%	0.707	S	S	.	*	P	Polyproline II helix	trans	-56.2	136.3	174.9	-20.2	30.3	0	0	0	109.8	V943 K945	P941-V943 PolarHBondContact O-N 2.83Å; P941-K945 HydrophobicContact CB-CB 4.26Å
942	S	36.4	Very low	33	Very low	65 Å²	65	132.6 Å²	132.6	46%	0.455	70%	0.697	S	S	.	*	P	Polyproline II helix	trans	-52.2	142.4	176.5	70.7	0	0	0	0	110.2	L940 S944 K945 L946	L940-S942 PolarHBondContact O-N 2.76Å; S942-S944 PolarHBondContact O-N 2.79Å; S942-S944 PolarHBondContact OG-OG 3.41Å; S942-K945 WeakPolarHBondContact O-CA 3.38Å; S942-K945 WeakPolarHBondContact O-CB 3.16Å; S942-K945 PolarHBondContact O-N 3.21Å; S942-L946 PolarHBondContact O-N 3.38Å
943	V	38.7	Very low	32.9	Very low	106 Å²	106	126 Å²	126	64%	0.642	69%	0.689	S	S	*	*	H	α-helix	trans	-53	-26.8	-177.9	177.5	0	0	0	0	112.4	P941 K945 L946 R947	P941-V943 PolarHBondContact O-N 2.83Å; V943-K945 PolarHBondContact O-N 3.21Å; V943-L946 PolarHBondContact O-N 2.75Å; V943-R947 PolarHBondContact O-N 3.23Å; V943-R947 VanDerWaalsContact O-N 3.11Å
944	S	40.6	Very low	33.1	Very low	89 Å²	89	127.6 Å²	127.6	62%	0.622	69%	0.687	S	S	*	*	H	α-helix	trans	-64.4	-28.5	171.4	29	0	0	0	0	114.8	S942	S942-S944 PolarHBondContact O-N 2.79Å; S942-S944 PolarHBondContact OG-OG 3.41Å
945	K	36.3	Very low	33	Very low	140 Å²	140	135.3 Å²	135.3	61%	0.609	71%	0.705	S	S	*	*	H	α-helix	trans	-80.6	-33	169.6	-81.1	-175.6	174.2	-179.6	0	112.7	P941 S942 V943 R947 R948 H949	P941-K945 HydrophobicContact CB-CB 4.26Å; S942-K945 WeakPolarHBondContact O-CA 3.38Å; S942-K945 WeakPolarHBondContact O-CB 3.16Å; S942-K945 PolarHBondContact O-N 3.21Å; V943-K945 PolarHBondContact O-N 3.21Å; K945-R947 VanDerWaalsContact C-N 3.29Å; K945-R947 PolarHBondContact O-N 2.81Å; K945-R948 PolarHBondContact O-N 3.32Å; K945-H949 PolarHBondContact O-N 3.34Å
946	L	34.3	Very low	32.4	Very low	109 Å²	109	134.3 Å²	134.3	57%	0.571	70%	0.704	S	S	*	*	H	α-helix	trans	-66.5	-30	175.2	-88.7	160.9	0	0	0	112.7	S942 V943 R948	S942-L946 PolarHBondContact O-N 3.38Å; V943-L946 PolarHBondContact O-N 2.75Å; L946-R948 PolarHBondContact O-N 2.73Å
947	R	35.3	Very low	32.2	Very low	197 Å²	197	136 Å²	136	74%	0.743	71%	0.708	S	S	*	*	H	α-helix	trans	-73.3	-22.4	175.9	-156.4	177	-73.1	172.4	-3.2	113.8	V943 K945	V943-R947 PolarHBondContact O-N 3.23Å; V943-R947 VanDerWaalsContact O-N 3.11Å; K945-R947 VanDerWaalsContact C-N 3.29Å; K945-R947 PolarHBondContact O-N 2.81Å
948	R	36.8	Very low	32.1	Very low	197 Å²	197	141.8 Å²	141.8	74%	0.743	71%	0.712	S	S	*	*	H	α-helix	trans	-81.4	-30.4	173.6	-80.1	-171.3	176.9	-174.4	-2.1	113.3	K945 L946 S950 C951 D952	K945-R948 PolarHBondContact O-N 3.32Å; L946-R948 PolarHBondContact O-N 2.73Å; R948-S950 VanDerWaalsContact C-N 3.3Å; R948-S950 PolarHBondContact O-N 3.42Å; R948-C951 PolarHBondContact O-N 2.68Å; R948-D952 PolarHBondContact O-N 3.41Å
949	H	32.9	Very low	31.9	Very low	148 Å²	148	143 Å²	143	69%	0.685	72%	0.719	S	S	*	*	H	α-helix	trans	-77.8	-9.6	178.4	-79.4	-70.6	0	0	0	115.1	K945	K945-H949 PolarHBondContact O-N 3.34Å
950	S	33.6	Very low	31.7	Very low	102 Å²	102	140 Å²	140	71%	0.713	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-8	172.8	-155.7	0	0	0	0	114.1	R948	R948-S950 VanDerWaalsContact C-N 3.3Å; R948-S950 PolarHBondContact O-N 3.42Å
951	C	33.1	Very low	31.3	Very low	105 Å²	105	139.1 Å²	139.1	71%	0.709	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-17.8	175.3	-68.1	0	0	0	0	114.2	R948	R948-C951 PolarHBondContact O-N 2.68Å
952	D	32.1	Very low	31.2	Very low	125 Å²	125	141 Å²	141	67%	0.668	73%	0.734	S	S	*	*	S	Bend	trans	-101.1	10.5	177.5	-71	-26.4	0	0	0	114.2	R948 Q954	R948-D952 PolarHBondContact O-N 3.41Å; D952-Q954 VanDerWaalsContact C-N 3.25Å; D952-Q954 PolarHBondContact O-N 2.91Å
953	A	28.3	Very low	30.5	Very low	87 Å²	87	146.5 Å²	146.5	72%	0.719	75%	0.752	S	S	*	*			trans	-83.2	7.7	175.9	0	0	0	0	0	114.4
954	Q	29.1	Very low	29.8	Very low	179 Å²	179	150.3 Å²	150.3	84%	0.836	77%	0.765	S	S	*	*	S	Bend	trans	-113.8	77	164.3	-74.4	-173.9	-11.1	0	0	109.2	D952	D952-Q954 VanDerWaalsContact C-N 3.25Å; D952-Q954 PolarHBondContact O-N 2.91Å
955	R	26.2	Very low	28.9	Very low	230 Å²	230	153.9 Å²	153.9	87%	0.868	77%	0.772	S	S	*	*			trans	152.5	75	156.4	-83.9	160	-169.5	-125.5	4.5	110
956	Q	24.8	Very low	28.4	Very low	188 Å²	188	154.1 Å²	154.1	88%	0.879	79%	0.785	S	S	*	*			trans	-132.7	89	153.1	-74.9	-166.8	-5.5	0	0	107.4	K958	Q956-K958 PolarHBondContact O-N 3.06Å
957	E	26.9	Very low	27.8	Very low	180 Å²	180	155.2 Å²	155.2	84%	0.841	79%	0.791	S	S	*	*			trans	-60.2	124.8	169.2	-72.6	174	166.2	0	0	108.5	N959	E957-N959 PolarHBondContact O-N 2.96Å
958	K	27.6	Very low	27.2	Very low	195 Å²	195	154.6 Å²	154.6	85%	0.848	79%	0.794	S	S	*	*			trans	-67.5	103.6	177.6	-78.3	176.3	173.8	177.7	0	108.9	Q956 T960	Q956-K958 PolarHBondContact O-N 3.06Å; K958-T960 PolarHBondContact O-N 2.74Å; K958-T960 VanDerWaalsContact O-N 3.16Å
959	N	25	Very low	26.5	Very low	155 Å²	155	153.2 Å²	153.2	83%	0.829	80%	0.798	S	S	*	*			trans	-65.8	102.1	160.2	-78.2	-24.8	0	0	0	109.2	E957	E957-N959 PolarHBondContact O-N 2.96Å
960	T	27.2	Very low	26	Very low	130 Å²	130	152.4 Å²	152.4	80%	0.798	80%	0.799	S	S	*	*			trans	-120	83.3	159.6	51.5	0	0	0	0	107.9	K958	K958-T960 PolarHBondContact O-N 2.74Å; K958-T960 VanDerWaalsContact O-N 3.16Å
961	S	23.6	Very low	25.8	Very low	118 Å²	118	155.5 Å²	155.5	83%	0.825	81%	0.807	S	S	*	*			trans	-99.5	94.8	170.3	58.9	0	0	0	0	109
962	S	25.5	Very low	25.3	Very low	115 Å²	115	156.8 Å²	156.8	80%	0.804	81%	0.807	S	S	*	*			trans	-110	109.5	160.1	52.3	0	0	0	0	108.3
963	H	22.9	Very low	25.1	Very low	181 Å²	181	159.1 Å²	159.1	84%	0.838	82%	0.819	S	S	*	*			trans	-28.3	128	166.5	-100.2	-70.8	0	0	0	115.5
964	M	23.1	Very low	24.9	Very low	187 Å²	187	160.1 Å²	160.1	92%	0.921	82%	0.82	S	S	*	*			trans	-153	129.1	130.1	-95.4	-165.5	80.7	0	0	109.8
965	Q	21.7	Very low	24.8	Very low	163 Å²	163	163.5 Å²	163.5	76%	0.762	83%	0.825	S	S	*	*			trans	-67	131.7	176.5	-82.1	164.5	-64.7	0	0	111.2
966	V	26.2	Very low	24.7	Very low	146 Å²	146	163.9 Å²	163.9	89%	0.885	83%	0.827	S	S	*	*			trans	-135.6	119.2	148.4	-178.8	0	0	0	0	107.8
967	D	21.4	Very low	24.7	Very low	131 Å²	131	160.4 Å²	160.4	70%	0.701	82%	0.824	S	S	*	*			trans	-67	153.3	178.8	-86	-44.5	0	0	0	113.4
968	K	22.5	Very low	24.7	Very low	184 Å²	184	157.4 Å²	157.4	80%	0.8	82%	0.822	S	S	*	*			trans	101.7	127.6	147	-79.2	165.7	-174.9	178.8	0	121.2
969	M	23.4	Very low	24.5	Very low	168 Å²	168	155.5 Å²	155.5	83%	0.828	82%	0.821	S	S	*	*			trans	90.1	73.9	141.4	-74.4	166.3	163.7	0	0	119
970	N	23.2	Very low	24.7	Very low	132 Å²	132	156.9 Å²	156.9	71%	0.706	82%	0.823	S	S	*	*				23.1	100	112.4	-152.9	33.6	0	0	0	117.5	N972	N970-N972 PolarHBondContact OD1-ND2 3.1Å
971	D	27.3	Very low	24.5	Very low	167 Å²	167	155.8 Å²	155.8	89%	0.893	82%	0.821	S	S	*	*			trans	-139	93.6	151.4	-95.3	-28.9	0	0	0	110.2
972	N	23.7	Very low	24.7	Very low	132 Å²	132	158.7 Å²	158.7	71%	0.706	83%	0.826	S	S	*	*			trans	-83.4	105.3	172.1	-78.2	-52.5	0	0	0	109.9	N970	N970-N972 PolarHBondContact OD1-ND2 3.1Å
973	L	28.6	Very low	24.7	Very low	173 Å²	173	161.8 Å²	161.8	91%	0.906	83%	0.828	S	S	*	*			trans	-136.9	80.6	155.7	-77.1	177	0	0	0	110.8
974	S	22.5	Very low	24.7	Very low	108 Å²	108	160.5 Å²	160.5	76%	0.755	83%	0.827	S	S	*	*			trans	-63.7	132	158.5	72.8	0	0	0	0	110.4
975	R	27.2	Very low	24.9	Very low	250 Å²	250	159.9 Å²	159.9	94%	0.943	83%	0.827	S	S	*	*			trans	-144.2	102.6	149.4	-78.7	-158.8	174.2	-168.2	-1.6	111
976	R	25.6	Very low	24.9	Very low	239 Å²	239	158.4 Å²	158.4	90%	0.902	83%	0.825	S	S	*	*			trans	-25.7	130.1	166.1	-75.5	169.2	159.3	-171.6	-7.3	116.7
977	S	23.3	Very low	24.8	Very low	115 Å²	115	161.5 Å²	161.5	80%	0.804	82%	0.82	S	S	*	*			trans	-56.4	130.7	151.5	-40.5	0	0	0	0	110.9
978	S	28.3	Very low	25.1	Very low	116 Å²	116	162 Å²	162	81%	0.811	83%	0.828	S	S	*	*			trans	-103.5	98.7	172	51.5	0	0	0	0	109.3
979	D	22.9	Very low	25.2	Very low	155 Å²	155	159.9 Å²	159.9	83%	0.829	83%	0.826	S	S	*	*			trans	-78	115.1	161.9	-74.2	-40.2	0	0	0	108.8
980	Q	28	Very low	25.1	Very low	184 Å²	184	161.1 Å²	161.1	86%	0.86	82%	0.822	S	S	*	*			trans	-132.1	102.2	158.4	-84.6	-171.1	-13.4	0	0	109.8	L982	Q980-L982 PolarHBondContact O-N 3.02Å
981	S	24.6	Very low	25.2	Very low	108 Å²	108	164.9 Å²	164.9	76%	0.755	83%	0.827	S	S	*	*			trans	-24.9	117	157.1	52.3	0	0	0	0	115.2
982	L	26.5	Very low	25.1	Very low	178 Å²	178	164 Å²	164	93%	0.932	83%	0.828	S	S	*	*			trans	-103.4	109.7	153.6	-81	165.1	0	0	0	107.4	Q980	Q980-L982 PolarHBondContact O-N 3.02Å
983	Q	26.7	Very low	25.3	Very low	181 Å²	181	164.9 Å²	164.9	85%	0.846	83%	0.831	S	S	*	*			trans	-71.5	139.1	178.9	-82.8	174.5	-31.7	0	0	111.8
984	D	21.7	Very low	25.3	Very low	153 Å²	153	162.4 Å²	162.4	82%	0.818	83%	0.826	S	S	*	*			trans	-22	126.9	161.7	-61.7	-49.4	0	0	0	116
985	N	27.7	Very low	25.5	Very low	175 Å²	175	166.8 Å²	166.8	94%	0.936	83%	0.831	S	S	*	*			trans	-124.5	119.7	152.2	-114.1	-15.2	0	0	0	109.2
986	D	22.5	Very low	25.5	Very low	132 Å²	132	160 Å²	160	71%	0.706	82%	0.822	S	S	*	*			trans	-95.1	155.1	-159.7	-143.1	-4.5	0	0	0	110.8
987	R	23.5	Very low	25.4	Very low	210 Å²	210	160.6 Å²	160.6	79%	0.792	82%	0.824	S	S	*	*			trans	77.9	113.2	159.8	-55.3	170.5	-179	-168.6	-2.3	119.1
988	T	28	Very low	25.5	Very low	141 Å²	141	158.7 Å²	158.7	87%	0.865	82%	0.823	S	S	*	*				176.3	95.5	105.7	29.6	0	0	0	0	113
989	N	23.3	Very low	25.3	Very low	140 Å²	140	161.1 Å²	161.1	75%	0.749	83%	0.826	S	S	*	*			trans	27.1	129.8	130.9	-90.5	-9.5	0	0	0	123.9
990	W	21.9	Very low	25.4	Very low	195 Å²	195	161.6 Å²	161.6	74%	0.739	83%	0.828	S	S	*	*			trans	106.2	112.3	137.6	-65.8	7.3	0	0	0	118
991	Y	26	Very low	25.4	Very low	210 Å²	210	160.9 Å²	160.9	82%	0.824	83%	0.829	S	S	*	*				167.7	89.8	112	-87.7	-70.4	0	0	0	108.6
992	T	25.6	Very low	25.6	Very low	148 Å²	148	160.5 Å²	160.5	91%	0.908	83%	0.827	S	S	*	*			trans	-100.1	111.5	171.7	-22.9	0	0	0	0	109
993	I	26.1	Very low	25.7	Very low	152 Å²	152	160.7 Å²	160.7	78%	0.779	82%	0.823	S	S	*	*			trans	-69.1	138	177	-65	168.8	0	0	0	109.3	K995	I993-K995 PolarHBondContact O-N 2.92Å
994	P	29.8	Very low	25.8	Very low	121 Å²	121	160.5 Å²	160.5	79%	0.786	82%	0.822	S	S	*	*			trans	-79.9	119	-166.2	31.6	-33.1	0	0	0	111.6
995	K	27.1	Very low	26.1	Very low	200 Å²	200	161.7 Å²	161.7	87%	0.87	82%	0.82	S	S	*	*			trans	-94.8	109.9	165.8	-77	-174.4	177.2	179.6	0	109.9	I993	I993-K995 PolarHBondContact O-N 2.92Å
996	S	25.6	Very low	26.1	Very low	108 Å²	108	160.2 Å²	160.2	76%	0.755	81%	0.812	S	S	*	*			trans	19.9	112.6	143.3	55.9	0	0	0	0	117.7	G998	S996-G998 PolarHBondContact O-N 3.1Å
997	R	24.7	Very low	26.2	Very low	250 Å²	250	161 Å²	161	94%	0.943	82%	0.816	S	S	*	*			trans	-27.9	96.5	162.6	-70.7	173.1	172	162.5	-3.5	113.8	L999	R997-L999 PolarHBondContact O-N 3.13Å
998	G	25.5	Very low	26.2	Very low	75 Å²	75	159.5 Å²	159.5	77%	0.773	82%	0.822	S	S	*	*			trans	-80.1	101.2	154.7	0	0	0	0	0	108.4	S996 L1000	S996-G998 PolarHBondContact O-N 3.1Å; G998-L1000 PolarHBondContact O-N 3.18Å; G998-L1000 VanDerWaalsContact O-N 3.16Å
999	L	24.7	Very low	26.2	Very low	167 Å²	167	158.7 Å²	158.7	87%	0.874	82%	0.817	S	S	*	*			trans	-61.4	106.1	163.6	-80.9	155.2	0	0	0	107.5	R997	R997-L999 PolarHBondContact O-N 3.13Å
1000	L	24	Very low	26.2	Very low	166 Å²	166	156.4 Å²	156.4	87%	0.869	82%	0.818	S	S	*	*			trans	-179.1	73.9	154.6	-93.9	169.1	0	0	0	106.9	G998 S1002	G998-L1000 PolarHBondContact O-N 3.18Å; G998-L1000 VanDerWaalsContact O-N 3.16Å; L1000-S1002 PolarHBondContact O-N 3.36Å; L1000-S1002 VanDerWaalsContact O-N 3.13Å
1001	N	27.3	Very low	26.3	Very low	168 Å²	168	155.6 Å²	155.6	90%	0.898	82%	0.822	S	S	*	*			trans	-68.2	106.2	166	-97.2	1.3	0	0	0	108.1	E1003	N1001-E1003 PolarHBondContact O-N 2.91Å
1002	S	30.5	Very low	26.4	Very low	100 Å²	100	151.6 Å²	151.6	70%	0.699	82%	0.819	S	S	*	*			trans	-82.4	36	176.6	178.1	0	0	0	0	112.8	L1000	L1000-S1002 PolarHBondContact O-N 3.36Å; L1000-S1002 VanDerWaalsContact O-N 3.13Å
1003	E	28.4	Very low	26.3	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	82%	0.816	S	S	*	*			trans	-126.2	52.1	179.6	-70.6	-165.5	163.7	0	0	112.7	N1001	N1001-E1003 PolarHBondContact O-N 2.91Å
1004	E	27	Very low	26.3	Very low	177 Å²	177	151.6 Å²	151.6	83%	0.827	82%	0.818	S	S	*	*			trans	-130	61.3	154.8	-76.5	-169.7	161	0	0	109.5	N1006	E1004-N1006 PolarHBondContact O-N 2.73Å
1005	K	28.4	Very low	26.1	Very low	178 Å²	178	148 Å²	148	77%	0.774	80%	0.804	S	S	*	*			trans	-83.7	58.8	160.1	-74.2	-174.9	179.6	175.3	0	109.7	L1007	K1005-L1007 PolarHBondContact O-N 3.3Å
1006	N	28	Very low	26	Very low	144 Å²	144	144.7 Å²	144.7	77%	0.77	80%	0.802	S	S	*	*			trans	-76.8	79.4	162	-79.4	-22.5	0	0	0	107.8	E1004 L1008	E1004-N1006 PolarHBondContact O-N 2.73Å; N1006-L1008 PolarHBondContact O-N 3.17Å
1007	L	25.7	Very low	26.1	Very low	149 Å²	149	148.7 Å²	148.7	78%	0.78	81%	0.807	S	S	*	*			trans	-59.5	109.4	166.7	-75.6	166.9	0	0	0	107.7	K1005 T1009	K1005-L1007 PolarHBondContact O-N 3.3Å; L1007-T1009 VanDerWaalsContact C-N 3.34Å; L1007-T1009 PolarHBondContact O-N 3.32Å
1008	L	23.7	Very low	26.2	Very low	178 Å²	178	144.2 Å²	144.2	93%	0.932	80%	0.8	S	S	*	*			trans	-54.5	89.3	175.4	-66.9	160	0	0	0	110.4	N1006 A1010	N1006-L1008 PolarHBondContact O-N 3.17Å; L1008-A1010 PolarHBondContact O-N 3.31Å; L1008-A1010 VanDerWaalsContact O-N 3.13Å
1009	T	27	Very low	26	Very low	125 Å²	125	152.4 Å²	152.4	77%	0.767	81%	0.807	S	S	*	*			trans	-73.4	99.3	164.1	48.4	0	0	0	0	107.7	L1007 Q1011	L1007-T1009 VanDerWaalsContact C-N 3.34Å; L1007-T1009 PolarHBondContact O-N 3.32Å; T1009-Q1011 PolarHBondContact O-N 2.87Å
1010	A	24.2	Very low	26.1	Very low	92 Å²	92	150.5 Å²	150.5	76%	0.76	80%	0.802	S	S	*	*			trans	-58.5	102.9	168	0	0	0	0	0	108.9	L1008 V1012	L1008-A1010 PolarHBondContact O-N 3.31Å; L1008-A1010 VanDerWaalsContact O-N 3.13Å; A1010-V1012 PolarHBondContact O-N 3.19Å; A1010-V1012 VanDerWaalsContact O-N 3.13Å
1011	Q	23.9	Very low	26.2	Very low	177 Å²	177	147.9 Å²	147.9	83%	0.827	80%	0.798	S	S	*	*			trans	-67.7	106.6	166	-98.9	-179.8	-24.7	0	0	107.5	T1009 C1013	T1009-Q1011 PolarHBondContact O-N 2.87Å; Q1011-C1013 PolarHBondContact O-N 3.34Å; Q1011-C1013 VanDerWaalsContact O-N 3.07Å
1012	V	27.3	Very low	26	Very low	126 Å²	126	147.6 Å²	147.6	76%	0.764	80%	0.797	S	S	*	*			trans	-66.5	103.2	168	177.6	0	0	0	0	106.7	A1010 E1014	A1010-V1012 PolarHBondContact O-N 3.19Å; A1010-V1012 VanDerWaalsContact O-N 3.13Å; V1012-E1014 PolarHBondContact O-N 3.32Å
1013	C	23.5	Very low	25.8	Very low	123 Å²	123	149.7 Å²	149.7	83%	0.831	80%	0.798	S	S	*	*			trans	-66.5	102.7	168.6	-66	0	0	0	0	108.4	Q1011 G1015	Q1011-C1013 PolarHBondContact O-N 3.34Å; Q1011-C1013 VanDerWaalsContact O-N 3.07Å; C1013-G1015 PolarHBondContact O-N 3.2Å; C1013-G1015 VanDerWaalsContact O-N 3.08Å
1014	E	25	Very low	25.6	Very low	177 Å²	177	149.8 Å²	149.8	83%	0.827	80%	0.799	S	S	*	*			trans	-64.1	104.6	171	-65.4	-174.5	169.7	0	0	109	V1012	V1012-E1014 PolarHBondContact O-N 3.32Å
1015	G	26.1	Very low	25.6	Very low	47 Å²	47	146.6 Å²	146.6	49%	0.485	79%	0.792	S	S	.	*			trans	-67.7	153.1	173.6	0	0	0	0	0	111.9	C1013 F1017	C1013-G1015 PolarHBondContact O-N 3.2Å; C1013-G1015 VanDerWaalsContact O-N 3.08Å; G1015-F1017 PolarHBondContact O-N 3.47Å; G1015-F1017 VanDerWaalsContact O-N 3.14Å
1016	P	26.4	Very low	25.3	Very low	130 Å²	130	148 Å²	148	84%	0.844	80%	0.798	S	S	*	*			trans	-72.3	110.8	-169.1	28.5	-32.5	0	0	0	111.3	I1018	P1016-I1018 PolarHBondContact O-N 3.28Å
1017	F	26.9	Very low	25.2	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.842	80%	0.799	S	S	*	*			trans	-68.3	113.1	172.6	-75.3	-85.4	0	0	0	110.4	G1015 R1019	G1015-F1017 PolarHBondContact O-N 3.47Å; G1015-F1017 VanDerWaalsContact O-N 3.14Å; F1017-R1019 PolarHBondContact O-N 3.46Å
1018	I	26.4	Very low	25.1	Very low	156 Å²	156	147.9 Å²	147.9	80%	0.8	80%	0.797	S	S	*	*			trans	-65.4	115.7	172.3	-62.1	174.3	0	0	0	108.2	P1016 T1020	P1016-I1018 PolarHBondContact O-N 3.28Å; I1018-T1020 PolarHBondContact O-N 3.31Å
1019	R	22.2	Very low	25	Very low	247 Å²	247	150.9 Å²	150.9	93%	0.932	80%	0.797	S	S	*	*			trans	-59.3	110	174.1	-71.1	178.5	178.4	-178.9	-0.5	110	F1017	F1017-R1019 PolarHBondContact O-N 3.46Å
1020	T	26	Very low	24.9	Very low	126 Å²	126	151.6 Å²	151.6	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-100.6	124.5	165	58.4	0	0	0	0	109.3	I1018	I1018-T1020 PolarHBondContact O-N 3.31Å
1021	S	26	Very low	24.9	Very low	112 Å²	112	152.7 Å²	152.7	78%	0.783	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.3	136.7	-177	34.4	0	0	0	0	113	I1023	S1021-I1023 PolarHBondContact O-N 3.29Å
1022	N	24.3	Very low	24.9	Very low	161 Å²	161	149.6 Å²	149.6	86%	0.861	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-52.9	117.9	174.5	-73.5	-33.8	0	0	0	112
1023	I	26.1	Very low	24.6	Very low	144 Å²	144	152 Å²	152	74%	0.738	80%	0.798	S	S	*	*			trans	-120.6	102.4	156.4	-60.9	177.4	0	0	0	107	S1021 T1025	S1021-I1023 PolarHBondContact O-N 3.29Å; I1023-T1025 HydrophobicContact CG2-CG2 4.35Å; I1023-T1025 PolarHBondContact O-N 2.9Å
1024	Q	23.8	Very low	24.8	Very low	184 Å²	184	152.8 Å²	152.8	86%	0.86	80%	0.799	S	S	*	*			trans	-73	100.9	172.3	-77	176	-28.4	0	0	109.5
1025	T	26	Very low	24.6	Very low	111 Å²	111	150.9 Å²	150.9	68%	0.681	79%	0.794	S	S	*	*			trans	-97.4	98.7	162.6	45.6	0	0	0	0	109.6	I1023 L1027	I1023-T1025 HydrophobicContact CG2-CG2 4.35Å; I1023-T1025 PolarHBondContact O-N 2.9Å; T1025-L1027 PolarHBondContact O-N 2.9Å; T1025-L1027 VanDerWaalsContact O-N 3.14Å
1026	K	23.6	Very low	24.6	Very low	208 Å²	208	157.2 Å²	157.2	90%	0.904	81%	0.812	S	S	*	*			trans	-60.8	104.3	166.6	-81.9	178.6	173.3	178	0	109.1
1027	L	25.4	Very low	25.2	Very low	150 Å²	150	156.4 Å²	156.4	79%	0.785	81%	0.806	S	S	*	*			trans	-92	111.5	167.7	-89.6	151.2	0	0	0	108.8	T1025	T1025-L1027 PolarHBondContact O-N 2.9Å; T1025-L1027 VanDerWaalsContact O-N 3.14Å
1028	N	23.9	Very low	25	Very low	140 Å²	140	154.1 Å²	154.1	75%	0.749	81%	0.808	S	S	*	*			trans	-81.4	113.1	-175.2	-158	12	0	0	0	109.5	N1030	N1028-N1030 PolarHBondContact O-N 3.36Å
1029	W	22	Very low	24.9	Very low	241 Å²	241	156 Å²	156	91%	0.913	81%	0.81	S	S	*	*			trans	-84.6	91.1	177	-76.8	68.5	0	0	0	109.5
1030	N	25	Very low	24.9	Very low	139 Å²	139	153 Å²	153	74%	0.743	81%	0.807	S	S	*	*			trans	-102	104.4	163.3	-84	-6.1	0	0	0	109	N1028 S1032	N1028-N1030 PolarHBondContact O-N 3.36Å; N1030-S1032 PolarHBondContact O-N 3.16Å
1031	S	22.4	Very low	24.8	Very low	116 Å²	116	155 Å²	155	81%	0.811	81%	0.811	S	S	*	*			trans	-67.5	116.7	167.3	53.8	0	0	0	0	110.5
1032	S	24.3	Very low	24.7	Very low	111 Å²	111	155.4 Å²	155.4	78%	0.776	81%	0.809	S	S	*	*			trans	-102.2	105.2	158.5	34.3	0	0	0	0	108.4	N1030 V1034	N1030-S1032 PolarHBondContact O-N 3.16Å; S1032-V1034 PolarHBondContact O-N 2.92Å
1033	Q	21.8	Very low	24.5	Very low	177 Å²	177	152.2 Å²	152.2	83%	0.827	80%	0.799	S	S	*	*			trans	-60.8	125.9	165.9	-74.4	173.5	-32.8	0	0	109.3
1034	V	27.1	Very low	24.3	Very low	139 Å²	139	152.1 Å²	152.1	84%	0.842	80%	0.8	S	S	*	*			trans	-125.5	109	161.3	179.4	0	0	0	0	106.6	S1032	S1032-V1034 PolarHBondContact O-N 2.92Å
1035	N	21.6	Very low	24.4	Very low	137 Å²	137	150.9 Å²	150.9	73%	0.733	80%	0.8	S	S	*	*			trans	-87.8	156.7	174	-84.9	-25.9	0	0	0	110.9
1036	E	25.1	Very low	24.2	Very low	181 Å²	181	155.2 Å²	155.2	85%	0.846	81%	0.809	S	S	*	*			trans	90.3	152.1	157.2	-54.4	-160.4	156.8	0	0	119.9
1037	P	39	Very low	24.3	Very low	112 Å²	112	153.2 Å²	153.2	73%	0.727	81%	0.807	S	S	*	*				-135.7	163.2	-54	36.9	-20.4	0	0	0	113.7	K1039	P1037-K1039 PolarHBondContact O-N 3.21Å
1038	V	22.9	Very low	24.2	Very low	145 Å²	145	149.6 Å²	149.6	88%	0.879	81%	0.806	S	S	*	*			trans	-60.4	120.3	178.6	177.4	0	0	0	0	112.2
1039	K	25	Very low	24.4	Very low	195 Å²	195	149.5 Å²	149.5	85%	0.848	81%	0.806	S	S	*	*			trans	-106.1	118.6	164.7	-83.2	-174.3	177.7	178.6	0	110.6	P1037	P1037-K1039 PolarHBondContact O-N 3.21Å
1040	Q	21.1	Very low	24.4	Very low	185 Å²	185	147.8 Å²	147.8	86%	0.864	81%	0.808	S	S	*	*			trans	-58.1	132.6	167.9	-71.4	167.1	-28	0	0	110.6
1041	I	25.2	Very low	24.4	Very low	167 Å²	167	148.4 Å²	148.4	86%	0.856	81%	0.81	S	S	*	*			trans	-122.9	116.2	163.1	-64.2	178	0	0	0	107.6
1042	T	22.6	Very low	24.5	Very low	120 Å²	120	148.5 Å²	148.5	74%	0.736	81%	0.811	S	S	*	*			trans	-79.6	151.1	177.1	34.1	0	0	0	0	112
1043	S	21.5	Very low	24.7	Very low	95 Å²	95	149.1 Å²	149.1	66%	0.664	81%	0.809	S	S	*	*			trans	-24.1	129.5	163.8	53.4	0	0	0	0	117.9
1044	N	21.1	Very low	24.9	Very low	142 Å²	142	143 Å²	143	76%	0.759	80%	0.795	S	S	*	*				157.2	116.3	123.3	-82.6	-20.9	0	0	0	110.9
1045	N	25.8	Very low	25.4	Very low	158 Å²	158	142.2 Å²	142.2	85%	0.845	79%	0.792	S	S	*	*				173.3	128.4	113.8	-89.6	-24.9	0	0	0	111.9
1046	K	22.7	Very low	25.7	Very low	202 Å²	202	144.5 Å²	144.5	88%	0.878	79%	0.79	S	S	*	*			trans	-59.5	129.7	165.2	-71.9	170.1	170.7	176.8	0	110
1047	L	25.1	Very low	26	Very low	165 Å²	165	140.9 Å²	140.9	86%	0.864	78%	0.781	S	S	*	*			trans	-145.8	94.8	146	-110.6	126.9	0	0	0	106.7
1048	G	23.8	Very low	25.8	Very low	74 Å²	74	138 Å²	138	76%	0.763	76%	0.763	S	S	*	*			trans	-77.5	116.6	171.6	0	0	0	0	0	108.8
1049	N	26.9	Very low	26.2	Very low	139 Å²	139	138 Å²	138	74%	0.743	75%	0.747	S	S	*	*			trans	-118	115.9	155	-86.3	-12	0	0	0	106.4	L1051	N1049-L1051 PolarHBondContact O-N 3.38Å
1050	E	22.5	Very low	26.5	Very low	205 Å²	205	138.7 Å²	138.7	96%	0.958	75%	0.745	S	S	*	*			trans	-56	104.6	172.2	-68.2	175.2	150.1	0	0	109.2
1051	L	25.3	Very low	27.5	Very low	152 Å²	152	133.1 Å²	133.1	80%	0.796	73%	0.726	S	S	*	*			trans	-95.7	110.5	165.4	-91.5	151.9	0	0	0	107.3	N1049 V1053	N1049-L1051 PolarHBondContact O-N 3.38Å; L1051-V1053 WeakPolarHBondContact O-CG2 3.23Å; L1051-V1053 PolarHBondContact O-N 2.93Å
1052	S	23.8	Very low	28.1	Very low	117 Å²	117	126.1 Å²	126.1	82%	0.818	69%	0.692	S	S	*	*			trans	-47.6	103	168.4	55.3	0	0	0	0	110.4	G1054	S1052-G1054 PolarHBondContact O-N 3.44Å
1053	V	27.9	Very low	28.8	Very low	124 Å²	124	125 Å²	125	75%	0.752	68%	0.681	S	S	*	*			trans	-77.4	101.1	178.4	-179.4	0	0	0	0	108.5	L1051	L1051-V1053 WeakPolarHBondContact O-CG2 3.23Å; L1051-V1053 PolarHBondContact O-N 2.93Å
1054	G	26.4	Very low	29.8	Very low	50 Å²	50	125.1 Å²	125.1	52%	0.515	67%	0.673	S	S	.	*			trans	-62.7	137.5	166.7	0	0	0	0	0	110.7	S1052 R1056	S1052-G1054 PolarHBondContact O-N 3.44Å; G1054-R1056 PolarHBondContact O-N 3.01Å
1055	P	37.9	Very low	31	Very low	121 Å²	121	120.7 Å²	120.7	79%	0.786	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	88	-170.2	32.7	-32.2	0	0	0	109.6
1056	R	29.2	Very low	31.7	Very low	186 Å²	186	114 Å²	114	70%	0.702	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.8	-3.5	164.8	-105.6	156.5	-163.8	-150.2	6	115.5	N823 G1054	N823-R1056 PolarHBondContact ND2-NH1 3.24Å; N823-R1056 PolarHBondContact OD1-NH1 3.46Å; N823-R1056 VanDerWaalsContact OD1-NH1 3.13Å; G1054-R1056 PolarHBondContact O-N 3.01Å
1057	T	31.4	Very low	32.6	Very low	104 Å²	104	105.8 Å²	105.8	64%	0.638	59%	0.593	S	S	*	*	S	Bend	trans	-88.9	-18	180	48.8	0	0	0	0	114.9	R1059 S1061	T1057-R1059 PolarHBondContact O-N 3.38Å; T1057-S1061 PolarHBondContact O-OG 2.7Å
1058	S	34.5	Very low	33.6	Very low	51 Å²	51	102 Å²	102	36%	0.357	57%	0.574	S	S	.	*	H	α-helix	trans	-65.4	-31	-176.3	53.9	0	0	0	0	114.2	S1061 S1062	S1058-S1061 WeakPolarHBondContact CA-OG 3.38Å; S1058-S1061 PolarHBondContact O-OG 2.87Å; S1058-S1062 PolarHBondContact O-N 3.41Å; S1058-S1062 PolarHBondContact O-OG 2.99Å
1059	R	31.4	Very low	34.5	Very low	145 Å²	145	101.4 Å²	101.4	55%	0.547	56%	0.558	S	S	.	*	H	α-helix	trans	-70.8	-36.2	-178.6	-78	-172.9	179.1	176.7	-0.1	114.1	T1057 S1062	T1057-R1059 PolarHBondContact O-N 3.38Å; R1059-S1062 VanDerWaalsContact CA-OG 3.25Å; R1059-S1062 WeakPolarHBondContact CA-OG 3.29Å; R1059-S1062 PolarHBondContact O-N 2.62Å; R1059-S1062 PolarHBondContact O-OG 3.49Å
1060	R	31	Very low	35.1	Very low	210 Å²	210	97 Å²	97	79%	0.792	54%	0.536	S	S	*	.	H	α-helix	trans	-73.7	-33.4	-177.8	-136.7	-179.4	-169.4	-172.3	3.6	111.6	I1064	R1060-I1064 WeakPolarHBondContact O-CG1 3.36Å
1061	S	42	Very low	36.1	Very low	69 Å²	69	91.9 Å²	91.9	48%	0.483	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-35.1	172.9	36.8	0	0	0	0	112.5	T1057 S1058 A1065	T1057-S1061 PolarHBondContact O-OG 2.7Å; S1058-S1061 WeakPolarHBondContact CA-OG 3.38Å; S1058-S1061 PolarHBondContact O-OG 2.87Å; S1061-A1065 WeakPolarHBondContact O-CB 2.88Å; S1061-A1065 PolarHBondContact O-N 2.71Å
1062	S	37.9	Very low	37	Very low	19 Å²	19	89.4 Å²	89.4	13%	0.133	50%	0.502	C	S	.	.	H	α-helix	trans	-63.3	-48.9	-179.2	13.5	0	0	0	0	113.6	V781 S1058 R1059 A1065 I1066	V781-S1062 WeakPolarHBondContact CG1-O 3.25Å; S1058-S1062 PolarHBondContact O-N 3.41Å; S1058-S1062 PolarHBondContact O-OG 2.99Å; R1059-S1062 VanDerWaalsContact CA-OG 3.25Å; R1059-S1062 WeakPolarHBondContact CA-OG 3.29Å; R1059-S1062 PolarHBondContact O-N 2.62Å; R1059-S1062 PolarHBondContact O-OG 3.49Å; S1062-A1065 PolarHBondContact O-N 2.74Å; S1062-I1066 WeakPolarHBondContact O-CG1 3.12Å; S1062-I1066 PolarHBondContact O-N 3.47Å
1063	L	36.8	Very low	37.6	Very low	96 Å²	96	87.8 Å²	87.8	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-68.9	-35.6	-180	-84.4	161.1	0	0	0	112.9	I1066 G1067	L1063-I1066 PolarHBondContact O-N 3.11Å; L1063-G1067 PolarHBondContact O-N 3.09Å
1064	I	42.5	Very low	38.2	Very low	98 Å²	98	88 Å²	88	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-66.8	-44	173.2	-64.7	171.9	0	0	0	109.6	R1060 I1066 G1067 D1068	R1060-I1064 WeakPolarHBondContact O-CG1 3.36Å; I1064-I1066 VanDerWaalsContact C-N 3.3Å; I1064-I1066 PolarHBondContact O-N 3.33Å; I1064-G1067 PolarHBondContact O-N 3.21Å; I1064-G1067 VanDerWaalsContact O-N 3.13Å; I1064-D1068 WeakPolarHBondContact O-CB 3.19Å; I1064-D1068 PolarHBondContact O-N 2.82Å
1065	A	45.7	Very low	39	Very low	49 Å²	49	90.6 Å²	90.6	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-36.6	175	0	0	0	0	0	112.3	S1061 S1062 S1069	S1061-A1065 WeakPolarHBondContact O-CB 2.88Å; S1061-A1065 PolarHBondContact O-N 2.71Å; S1062-A1065 PolarHBondContact O-N 2.74Å; A1065-S1069 VanDerWaalsContact O-CB 3.24Å; A1065-S1069 WeakPolarHBondContact O-CB 3.21Å; A1065-S1069 PolarHBondContact O-N 3.37Å; A1065-S1069 PolarHBondContact O-OG 3.34Å
1066	I	40.4	Very low	38.8	Very low	17 Å²	17	96 Å²	96	9%	0.087	50%	0.497	C	S	.	.	H	α-helix	trans	-63.7	-49.2	171.8	-68.9	164.6	0	0	0	110.3	V781 F785 L816 S1062 L1063 I1064 D1068 S1069 V1070	V781-I1066 HydrophobicContact CB-CD1 4.11Å; V781-I1066 HydrophobicContact CG1-CD1 3.49Å; V781-I1066 VanDerWaalsContact CG1-CD1 3.49Å; V781-I1066 HydrophobicContact CG1-CG1 3.57Å; V781-I1066 HydrophobicContact CG2-CD1 3.89Å; F785-I1066 HydrophobicContact CD1-CG2 4.12Å; F785-I1066 HydrophobicContact CE1-CG2 3.79Å; L816-I1066 HydrophobicContact CD1-CD1 4.41Å; S1062-I1066 WeakPolarHBondContact O-CG1 3.12Å; S1062-I1066 PolarHBondContact O-N 3.47Å; L1063-I1066 PolarHBondContact O-N 3.11Å; I1064-I1066 VanDerWaalsContact C-N 3.3Å; I1064-I1066 PolarHBondContact O-N 3.33Å; I1066-D1068 VanDerWaalsContact C-N 3.31Å; I1066-D1068 PolarHBondContact O-N 3.23Å; I1066-S1069 PolarHBondContact O-N 3.47Å; I1066-V1070 HydrophobicContact CG2-CG2 4.24Å; I1066-V1070 WeakPolarHBondContact O-CB 3.42Å; I1066-V1070 VanDerWaalsContact O-CG2 3.25Å; I1066-V1070 WeakPolarHBondContact O-CG2 3.42Å; I1066-V1070 PolarHBondContact O-N 3.13Å
1067	G	41.7	Very low	39.3	Very low	30 Å²	30	91.5 Å²	91.5	31%	0.309	49%	0.486	S	S	.	.	H	α-helix	trans	-56.7	-45.8	177.2	0	0	0	0	0	112.1	L1063 I1064 V1070 I1071	L1063-G1067 PolarHBondContact O-N 3.09Å; I1064-G1067 PolarHBondContact O-N 3.21Å; I1064-G1067 VanDerWaalsContact O-N 3.13Å; G1067-V1070 PolarHBondContact O-N 3.15Å; G1067-I1071 WeakPolarHBondContact O-CB 2.77Å; G1067-I1071 WeakPolarHBondContact O-CG1 2.76Å; G1067-I1071 PolarHBondContact O-N 3.04Å
1068	D	46.4	Very low	39.7	Very low	86 Å²	86	90.8 Å²	90.8	46%	0.46	48%	0.478	S	S	.	.	H	α-helix	trans	-70.5	-37.8	179.3	-70.9	-17.7	0	0	0	112.1	I1064 I1066 N1072	I1064-D1068 WeakPolarHBondContact O-CB 3.19Å; I1064-D1068 PolarHBondContact O-N 2.82Å; I1066-D1068 VanDerWaalsContact C-N 3.31Å; I1066-D1068 PolarHBondContact O-N 3.23Å; D1068-N1072 WeakPolarHBondContact O-CB 2.8Å; D1068-N1072 VanDerWaalsContact O-CG 3.28Å; D1068-N1072 PolarHBondContact O-N 3.12Å; D1068-N1072 PolarHBondContact O-ND2 2.76Å; D1068-N1072 VanDerWaalsContact O-ND2 3.16Å
1069	S	42.3	Very low	40	Very low	61 Å²	61	93 Å²	93	43%	0.427	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-42.1	173.5	-90.6	0	0	0	0	111.9	A1065 I1066 N1072 L1073	A1065-S1069 VanDerWaalsContact O-CB 3.24Å; A1065-S1069 WeakPolarHBondContact O-CB 3.21Å; A1065-S1069 PolarHBondContact O-N 3.37Å; A1065-S1069 PolarHBondContact O-OG 3.34Å; I1066-S1069 PolarHBondContact O-N 3.47Å; S1069-N1072 PolarHBondContact O-N 3.3Å; S1069-L1073 VanDerWaalsContact O-CB 3.22Å; S1069-L1073 WeakPolarHBondContact O-CB 3.35Å; S1069-L1073 PolarHBondContact O-N 3.37Å
1070	V	40	Very low	40.5	Very low	46 Å²	46	89.9 Å²	89.9	28%	0.279	48%	0.481	S	S	.	.	H	α-helix	trans	-65.2	-44.2	175.9	171.2	0	0	0	0	110.4	L789 I1066 G1067 L1073 L1074	L789-V1070 HydrophobicContact CD1-CG2 3.65Å; L789-V1070 HydrophobicContact CD2-CG2 4.27Å; I1066-V1070 HydrophobicContact CG2-CG2 4.24Å; I1066-V1070 WeakPolarHBondContact O-CB 3.42Å; I1066-V1070 VanDerWaalsContact O-CG2 3.25Å; I1066-V1070 WeakPolarHBondContact O-CG2 3.42Å; I1066-V1070 PolarHBondContact O-N 3.13Å; G1067-V1070 PolarHBondContact O-N 3.15Å; V1070-L1073 PolarHBondContact O-N 3.29Å; V1070-L1074 HydrophobicContact CG1-CD1 3.83Å; V1070-L1074 HydrophobicContact CG1-CG 4.43Å; V1070-L1074 WeakPolarHBondContact O-CB 3.2Å; V1070-L1074 VanDerWaalsContact O-CG 3.31Å; V1070-L1074 WeakPolarHBondContact O-CG 3.32Å; V1070-L1074 PolarHBondContact O-N 3.19Å
1071	I	43.4	Very low	41.1	Very low	99 Å²	99	82.4 Å²	82.4	51%	0.508	46%	0.462	S	S	.	.	H	α-helix	trans	-64.3	-45.4	176.4	-71.6	171	0	0	0	110.8	G1067 L1073 L1074 T1075	G1067-I1071 WeakPolarHBondContact O-CB 2.77Å; G1067-I1071 WeakPolarHBondContact O-CG1 2.76Å; G1067-I1071 PolarHBondContact O-N 3.04Å; I1071-L1073 VanDerWaalsContact C-N 3.27Å; I1071-L1073 PolarHBondContact O-N 3.09Å; I1071-L1074 PolarHBondContact O-N 2.82Å; I1071-T1075 HydrophobicContact CG2-CG2 4.47Å; I1071-T1075 WeakPolarHBondContact O-CB 3.26Å; I1071-T1075 WeakPolarHBondContact O-CG2 3.14Å; I1071-T1075 PolarHBondContact O-N 3.35Å; I1071-T1075 PolarHBondContact O-OG1 3.08Å
1072	N	43.7	Very low	41	Very low	100 Å²	100	83.3 Å²	83.3	54%	0.535	46%	0.461	S	S	.	.	H	α-helix	trans	-64.1	-30.2	176.6	-82.3	-36.9	0	0	0	112.8	D1068 S1069 T1075 K1076	D1068-N1072 WeakPolarHBondContact O-CB 2.8Å; D1068-N1072 VanDerWaalsContact O-CG 3.28Å; D1068-N1072 PolarHBondContact O-N 3.12Å; D1068-N1072 PolarHBondContact O-ND2 2.76Å; D1068-N1072 VanDerWaalsContact O-ND2 3.16Å; S1069-N1072 PolarHBondContact O-N 3.3Å; N1072-T1075 VanDerWaalsContact CA-OG1 3.24Å; N1072-T1075 WeakPolarHBondContact CA-OG1 3.08Å; N1072-T1075 PolarHBondContact O-OG1 3.1Å; N1072-K1076 WeakPolarHBondContact O-CB 3.13Å; N1072-K1076 WeakPolarHBondContact O-CG 3.49Å; N1072-K1076 PolarHBondContact O-N 3.04Å; N1072-K1076 VanDerWaalsContact O-N 3.14Å
1073	L	37.8	Very low	41.3	Very low	83 Å²	83	87.9 Å²	87.9	44%	0.435	48%	0.484	S	S	.	.	H	α-helix	trans	-82.2	-28.7	177.1	-158.6	114.1	0	0	0	112.6	P790 S1069 V1070 I1071	P790-L1073 HydrophobicContact CG-CD1 4.49Å; S1069-L1073 VanDerWaalsContact O-CB 3.22Å; S1069-L1073 WeakPolarHBondContact O-CB 3.35Å; S1069-L1073 PolarHBondContact O-N 3.37Å; V1070-L1073 PolarHBondContact O-N 3.29Å; I1071-L1073 VanDerWaalsContact C-N 3.27Å; I1071-L1073 PolarHBondContact O-N 3.09Å
1074	L	39.7	Very low	41.6	Very low	129 Å²	129	87.3 Å²	87.3	68%	0.675	48%	0.483	S	S	*	.	H	α-helix	trans	-78.6	-24	172	-73.9	169.4	0	0	0	112.7	V1070 I1071	V1070-L1074 HydrophobicContact CG1-CD1 3.83Å; V1070-L1074 HydrophobicContact CG1-CG 4.43Å; V1070-L1074 WeakPolarHBondContact O-CB 3.2Å; V1070-L1074 VanDerWaalsContact O-CG 3.31Å; V1070-L1074 WeakPolarHBondContact O-CG 3.32Å; V1070-L1074 PolarHBondContact O-N 3.19Å; I1071-L1074 PolarHBondContact O-N 2.82Å
1075	T	43.1	Very low	41.5	Very low	104 Å²	104	86.4 Å²	86.4	64%	0.638	48%	0.481	S	S	*	.	H	α-helix	trans	-89.2	-20.8	176.7	44.5	0	0	0	0	113.5	I1071 N1072	I1071-T1075 HydrophobicContact CG2-CG2 4.47Å; I1071-T1075 WeakPolarHBondContact O-CB 3.26Å; I1071-T1075 WeakPolarHBondContact O-CG2 3.14Å; I1071-T1075 PolarHBondContact O-N 3.35Å; I1071-T1075 PolarHBondContact O-OG1 3.08Å; N1072-T1075 VanDerWaalsContact CA-OG1 3.24Å; N1072-T1075 WeakPolarHBondContact CA-OG1 3.08Å; N1072-T1075 PolarHBondContact O-OG1 3.1Å
1076	K	33.9	Very low	41.1	Very low	233 Å²	233	89.8 Å²	89.8	100%	1.013	49%	0.488	S	S	*	.			trans	-85.3	0	165.6	-80.5	-177.4	176.9	178.4	0	110.9	N1072	N1072-K1076 WeakPolarHBondContact O-CB 3.13Å; N1072-K1076 WeakPolarHBondContact O-CG 3.49Å; N1072-K1076 PolarHBondContact O-N 3.04Å; N1072-K1076 VanDerWaalsContact O-N 3.14Å

Retrieved 1,076 of 1,076 residues in 1602.8 ms (Link to these results)

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