A0A5K4ETM7_SCHMA Loading...

Protein kinase

AlphaFold DB , UniProt , Accession A0A5K4ETM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,077 aa.

						>A0A5K4ETM7_SCHMA|A0A5K4ETM7
MNASHVNNTTTNNNNHITNTNYTTNHNNNISNIKNNKNISIDFPTNPITKYFIINKQIASCGPELIWKVYDAVRRQDQLPCSVFLFDKSIADKLHKPRRRDIVTSVLKRDVRLLTQLHHPNMLHILHPIEETSETLSFASERIFSSLANILGNHTRLQQFIIENLKTFRFTDMDRKLGIYQLTELLRFLHTGQSLFHNNVSPSSILITHQNQWRLGSAAFIESTCLEKHDISQYELGPSPWTRKWPKMAQPDCHYSAPECLNLINNNNNNISNHFTSYRNKPTTDLYHSTNKNDPDHTIDPITSTMKSNDKPGPWSDMFSLGLIICALYTNNSPAEGSIQWLQNIKKRDYDNDTYSNTDVLYVNCKENIIQETNNNVQYNIHSIYVHIILGDFIFEYRLIMRIYNVVIRFTVQRLNKWEFAHFLFMFKIPEAFRLSVCRMPLELVEPVEKLLSRNPQKRPSSQLFALLKFFNDPTMLLLDGIINFQVKSDEDRTRALQILQNNAENLSKPILYGRIMPTLIQLHRELETRQFNKQINDYNTTMLTSHFNISQLSNEEICINLDSLLISGLAHLIEVCSSIDYTDYIEKDLINIFEKSSNLKTKICLVRHTRSFLRQVPDNVIDQYILPLMKQCLVSNNITAQIVALNNLELLVGYISVTDLEIIVLQKIKQAFQYNNQQLQLASLHCLVTILTRLSDATIVNDVIPFLLNVSNELKLNINNNKPTDKYVQDFNIDTVDDKAYDEHDQTQSNRVEQPISELCNAWKQLLYTKSYLLEPQLIVTEIFPGLLPHVVDKKVSITEFRILMSTLYALLDQLDIPNAENDDLNDSKTQYRTVPALTVNPPSVGSGQISKRSSNCENLEDTRMGAKKSITRTTASFVPMLHPNQIKELENSPNITRRASAHVICPLPPQNSDLRFDKPTSDINLSDKKNYTSFLGLQLPSVSKLRRHSCDAQRQEKNTSSHMQVDKMNDNLSRRSSDQSLQDNDRTNWYTIPKSRGLLNSEEKNLLTAQVCEGPFIRTSNIQTKLNWNSSQVNEPVKQITSNNKLGNELSVGPRTSRRSSLIAIGDSVINLLTK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28	Very low	29.9	Very low	237 Å²	237	143.1 Å²	143.1	100%	1.167	82%	0.822	S	S	*	*				0	115.1	0	-79.1	176.9	172.4	0	0	107.7
2	N	30.8	Very low	29.6	Very low	169 Å²	169	143.1 Å²	143.1	90%	0.904	82%	0.817	S	S	*	*			trans	156.8	75.9	159.2	-82.3	-5.1	0	0	0	107.4
3	A	28.7	Very low	29.6	Very low	98 Å²	98	143.5 Å²	143.5	81%	0.81	82%	0.815	S	S	*	*			trans	-90.7	99.7	166.7	0	0	0	0	0	106.9	H5	A3-H5 PolarHBondContact O-N 3.44Å
4	S	33	Very low	29.5	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	80%	0.803	S	S	*	*			trans	-74.4	117.6	174.4	38.5	0	0	0	0	109.8	V6	S4-V6 PolarHBondContact O-N 3.07Å
5	H	30.6	Very low	29.4	Very low	177 Å²	177	142.3 Å²	142.3	82%	0.819	80%	0.803	S	S	*	*			trans	-59.8	110.9	171.4	-81.4	-80.6	0	0	0	111.1	A3	A3-H5 PolarHBondContact O-N 3.44Å
6	V	32.2	Very low	29.4	Very low	117 Å²	117	143.3 Å²	143.3	71%	0.709	80%	0.798	S	S	*	*			trans	-96.5	99.1	164	178.7	0	0	0	0	107.6	S4 N8	S4-V6 PolarHBondContact O-N 3.07Å; V6-N8 PolarHBondContact O-N 3.03Å
7	N	27.5	Very low	29.2	Very low	140 Å²	140	143.6 Å²	143.6	75%	0.749	80%	0.796	S	S	*	*			trans	-74.2	103	167.9	-79.7	-22.5	0	0	0	108.9
8	N	30.8	Very low	29.1	Very low	138 Å²	138	141.9 Å²	141.9	74%	0.738	79%	0.791	S	S	*	*			trans	-112.2	93.5	163.3	-84.8	-12.7	0	0	0	109.1	V6 T10	V6-N8 PolarHBondContact O-N 3.03Å; N8-T10 PolarHBondContact O-N 3.02Å
9	T	25.8	Very low	28.8	Very low	135 Å²	135	141.2 Å²	141.2	83%	0.828	79%	0.785	S	S	*	*			trans	-67.9	101.5	160.4	42	0	0	0	0	108.9
10	T	32	Very low	28.7	Very low	126 Å²	126	139.8 Å²	139.8	77%	0.773	78%	0.781	S	S	*	*			trans	-115	115.3	162.9	34	0	0	0	0	109.1	N8	N8-T10 PolarHBondContact O-N 3.02Å
11	T	29	Very low	28.5	Very low	128 Å²	128	139.5 Å²	139.5	79%	0.785	78%	0.777	S	S	*	*			trans	-52	126.5	-178.9	42.1	0	0	0	0	113.5	N13	T11-N13 PolarHBondContact O-N 3.38Å; T11-N13 VanDerWaalsContact O-N 3.11Å
12	N	27	Very low	28.3	Very low	143 Å²	143	136.6 Å²	136.6	77%	0.765	76%	0.755	S	S	*	*			trans	-60.3	100.9	168.6	-81.3	-22.8	0	0	0	111.1
13	N	29	Very low	28.1	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	73%	0.734	S	S	*	*			trans	-94.5	92.7	157.7	-85.9	-11.7	0	0	0	108.5	T11 N15	T11-N13 PolarHBondContact O-N 3.38Å; T11-N13 VanDerWaalsContact O-N 3.11Å; N13-N15 VanDerWaalsContact C-N 3.35Å; N13-N15 PolarHBondContact O-N 3.48Å
14	N	28.3	Very low	28.2	Very low	121 Å²	121	132.2 Å²	132.2	65%	0.647	72%	0.724	S	S	*	*			trans	-69	85.8	171.5	-74.7	-20.3	0	0	0	110.1
15	N	28.4	Very low	27.8	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	72%	0.715	S	S	*	*			trans	-102.8	88.2	158.9	-79.5	-12.6	0	0	0	108.2	N13 I17	N13-N15 VanDerWaalsContact C-N 3.35Å; N13-N15 PolarHBondContact O-N 3.48Å; N15-I17 PolarHBondContact O-N 2.85Å
16	H	28.5	Very low	27.8	Very low	159 Å²	159	131.5 Å²	131.5	74%	0.736	71%	0.712	S	S	*	*			trans	-61.2	94	168.6	-88.2	-71	0	0	0	109.8	T18	H16-T18 PolarHBondContact O-N 2.83Å
17	I	27.3	Very low	27.6	Very low	149 Å²	149	132.3 Å²	132.3	76%	0.764	71%	0.712	S	S	*	*			trans	-87.4	89.3	160.6	-60.1	175.4	0	0	0	106.5	N15 N19	N15-I17 PolarHBondContact O-N 2.85Å; I17-N19 VanDerWaalsContact C-N 3.34Å; I17-N19 HydrophobicContact CG2-CB 4.44Å; I17-N19 PolarHBondContact O-N 2.96Å; I17-N19 VanDerWaalsContact O-N 3.13Å
18	T	26.8	Very low	27.6	Very low	113 Å²	113	131 Å²	131	69%	0.693	71%	0.705	S	S	*	*			trans	-78	80.7	171	48.9	0	0	0	0	109.6	H16	H16-T18 PolarHBondContact O-N 2.83Å
19	N	24	Very low	27.5	Very low	128 Å²	128	130.4 Å²	130.4	68%	0.684	70%	0.702	S	S	*	*			trans	-126	63.8	166.2	-88.3	-9	0	0	0	109.5	I17 N21	I17-N19 VanDerWaalsContact C-N 3.34Å; I17-N19 HydrophobicContact CG2-CB 4.44Å; I17-N19 PolarHBondContact O-N 2.96Å; I17-N19 VanDerWaalsContact O-N 3.13Å; N19-N21 PolarHBondContact O-N 2.85Å
20	T	25.9	Very low	27.7	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.693	70%	0.696	S	S	*	*			trans	-90.1	85.2	161.3	50.5	0	0	0	0	108.2	Y22	T20-Y22 VanDerWaalsContact C-N 3.31Å; T20-Y22 PolarHBondContact O-N 3.27Å
21	N	23.8	Very low	27.7	Very low	133 Å²	133	128.9 Å²	128.9	71%	0.711	69%	0.69	S	S	*	*			trans	-63.4	90	168.1	-75.3	-16.3	0	0	0	109.1	N19 T23	N19-N21 PolarHBondContact O-N 2.85Å; N21-T23 PolarHBondContact O-N 3.31Å
22	Y	25.7	Very low	27.7	Very low	176 Å²	176	129.3 Å²	129.3	69%	0.69	69%	0.688	S	S	*	*			trans	-77.2	77.4	161.1	-75.1	-78.6	0	0	0	108.4	T20 T24	T20-Y22 VanDerWaalsContact C-N 3.31Å; T20-Y22 PolarHBondContact O-N 3.27Å; Y22-T24 PolarHBondContact O-N 3.29Å
23	T	26.2	Very low	27.9	Very low	76 Å²	76	128.6 Å²	128.6	47%	0.466	68%	0.683	S	S	.	*			trans	-74.2	103.2	157.1	49.4	0	0	0	0	106.3	N21 N25 Y585	N21-T23 PolarHBondContact O-N 3.31Å; T23-N25 PolarHBondContact O-N 3.02Å; T23-Y585 WeakPolarHBondContact CG2-OH 3.41Å
24	T	29.5	Very low	28.2	Very low	100 Å²	100	130.6 Å²	130.6	61%	0.613	69%	0.685	S	S	*	*			trans	-64.7	78.8	161.9	42	0	0	0	0	107.3	Y22 H26	Y22-T24 PolarHBondContact O-N 3.29Å; T24-H26 PolarHBondContact O-N 3.33Å
25	N	24.8	Very low	28.2	Very low	106 Å²	106	132 Å²	132	57%	0.567	69%	0.692	S	S	*	*			trans	-75.6	64.7	177.6	-132.7	-7.2	0	0	0	107.8	T23 N27	T23-N25 PolarHBondContact O-N 3.02Å; N25-N27 PolarHBondContact O-N 3.27Å
26	H	30.6	Very low	28.3	Very low	165 Å²	165	131.8 Å²	131.8	76%	0.764	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	0.2	-176.1	-120.8	-19.7	0	0	0	113.5	T24	T24-H26 PolarHBondContact O-N 3.33Å
27	N	29	Very low	28.5	Very low	133 Å²	133	133.7 Å²	133.7	71%	0.711	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-2.2	179.7	-80.9	-10.8	0	0	0	116.5	N25	N25-N27 PolarHBondContact O-N 3.27Å
28	N	27.3	Very low	28.8	Very low	112 Å²	112	134.5 Å²	134.5	60%	0.599	70%	0.703	S	S	*	*	S	Bend	trans	-107	8.3	-177.1	-78.4	-11.1	0	0	0	116.8
29	N	27.9	Very low	29.4	Very low	126 Å²	126	136.1 Å²	136.1	67%	0.674	71%	0.706	S	S	*	*	S	Bend	trans	-98.4	8.3	172.5	-83.9	-14.7	0	0	0	114.9
30	I	31	Very low	30.5	Very low	134 Å²	134	135.3 Å²	135.3	69%	0.687	71%	0.71	S	S	*	*	S	Bend	trans	-79.9	-18.2	178.9	-62.6	177.8	0	0	0	112.4
31	S	31.2	Very low	32.2	Very low	95 Å²	95	133.3 Å²	133.3	66%	0.664	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-19.1	179.6	54.2	0	0	0	0	115.1
32	N	29.3	Very low	34.4	Very low	138 Å²	138	134.4 Å²	134.4	74%	0.738	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	6.9	-179.4	-83.5	-9.3	0	0	0	115.2
33	I	32.4	Very low	37.1	Very low	127 Å²	127	127.4 Å²	127.4	65%	0.651	67%	0.674	S	S	*	*			trans	-104.5	43.7	174	-42.7	177.5	0	0	0	111.2
34	K	34.2	Very low	39.8	Very low	191 Å²	191	125.8 Å²	125.8	83%	0.83	66%	0.664	S	S	*	*	S	Bend	trans	-104.4	-5.7	164.8	-83.3	-170.9	176	-179.1	0	115
35	N	29.2	Very low	42.4	Very low	151 Å²	151	127.1 Å²	127.1	81%	0.807	67%	0.673	S	S	*	*	S	Bend	trans	-121.3	9.4	-176.3	-75.1	-6.4	0	0	0	116.7	K37	N35-K37 PolarHBondContact O-N 3.35Å
36	N	30.2	Very low	45.5	Very low	143 Å²	143	122.3 Å²	122.3	77%	0.765	65%	0.647	S	S	*	*	S	Bend	trans	-89.2	102.5	170.7	-84.9	-11	0	0	0	110.6	N38	N36-N38 PolarHBondContact O-N 3.16Å
37	K	32.2	Very low	48.5	Very low	198 Å²	198	116.3 Å²	116.3	86%	0.861	62%	0.623	S	S	*	*			trans	-22.8	124.9	168.6	-64.9	173.4	179	176.4	0	112.4	N35 I39	N35-K37 PolarHBondContact O-N 3.35Å; K37-I39 PolarHBondContact O-N 3.49Å
38	N	32.8	Very low	51.5	Low	166 Å²	166	110 Å²	110	89%	0.888	59%	0.589	S	S	*	*			trans	-41.6	93.2	172.9	-63.1	-24.3	0	0	0	111.3	N36 S40	N36-N38 PolarHBondContact O-N 3.16Å; N38-S40 VanDerWaalsContact C-N 3.33Å; N38-S40 PolarHBondContact O-N 3.46Å
39	I	41.3	Very low	54.6	Low	148 Å²	148	107.2 Å²	107.2	76%	0.759	58%	0.576	S	S	*	*			trans	-68.4	102.1	163.8	-60.8	171.1	0	0	0	103.5	K37 I41	K37-I39 PolarHBondContact O-N 3.49Å; I39-I41 PolarHBondContact O-N 3.14Å
40	S	46.4	Very low	57.7	Low	110 Å²	110	108.5 Å²	108.5	77%	0.769	58%	0.575	S	S	*	*			trans	-60.9	105.2	172.3	61.7	0	0	0	0	107.1	N38 D42	N38-S40 VanDerWaalsContact C-N 3.33Å; N38-S40 PolarHBondContact O-N 3.46Å; S40-D42 PolarHBondContact O-N 2.96Å
41	I	61.7	Low	60.7	Low	71 Å²	71	107.3 Å²	107.3	36%	0.364	56%	0.563	S	S	.	*			trans	-70.3	118.1	174.5	-66	134.9	0	0	0	106.6	I39 F43 N55 Y70	I39-I41 PolarHBondContact O-N 3.14Å; I41-F43 PolarHBondContact O-N 3.1Å; I41-N55 WeakPolarHBondContact CD1-O 3.13Å; I41-Y70 HydrophobicContact CG2-CE1 4.37Å
42	D	69.8	Low	63.7	Low	157 Å²	157	103 Å²	103	84%	0.84	53%	0.532	S	S	*	.			trans	-76.3	78.6	177.2	-160.5	17.3	0	0	0	109.1	S40	S40-D42 PolarHBondContact O-N 2.96Å
43	F	82.1	Confident	66.8	Low	29 Å²	29	99.5 Å²	99.5	13%	0.127	51%	0.513	C	S	.	.			trans	-91.6	125.4	174.3	-169.3	-91.2	0	0	0	108.7	I41 N46 I48 T49 I54 Y70 V83 L85	I41-F43 PolarHBondContact O-N 3.1Å; F43-N46 HydrophobicContact CE1-CB 4.3Å; F43-I48 HydrophobicContact CE1-CG2 4.09Å; F43-I48 HydrophobicContact CZ-CG2 4.21Å; F43-T49 HydrophobicContact CD1-CG2 3.67Å; F43-T49 HydrophobicContact CE1-CG2 3.73Å; F43-I54 HydrophobicContact CD1-CG1 4.39Å; F43-I54 HydrophobicContact CD2-CB 4.36Å; F43-I54 HydrophobicContact CD2-CG1 4.4Å; F43-I54 HydrophobicContact CD2-CG2 3.65Å; F43-I54 HydrophobicContact CE1-CG1 4.34Å; F43-I54 HydrophobicContact CE2-CG1 4.34Å; F43-I54 HydrophobicContact CE2-CG2 3.88Å; F43-I54 HydrophobicContact CG-CB 4.48Å; F43-I54 HydrophobicContact CG-CG1 4.41Å; F43-I54 HydrophobicContact CG-CG2 4.22Å; F43-I54 HydrophobicContact CZ-CG1 4.31Å; F43-Y70 HydrophobicContact CD2-CD1 4.36Å; F43-Y70 HydrophobicContact CD2-CD2 4.34Å; F43-Y70 HydrophobicContact CD2-CE1 4.25Å; F43-Y70 HydrophobicContact CD2-CE2 4.21Å; F43-Y70 HydrophobicContact CD2-CG 4.42Å; F43-Y70 AromaticContact CE2-CD2 3.93Å; F43-Y70 HydrophobicContact CE2-CD2 3.93Å; F43-Y70 HydrophobicContact CE2-CE2 4Å; F43-Y70 HydrophobicContact CE2-CG 4.29Å; F43-V83 HydrophobicContact CZ-CG1 4.2Å; F43-L85 HydrophobicContact CD2-CD2 4.17Å; F43-L85 HydrophobicContact CE1-CD1 4.49Å; F43-L85 HydrophobicContact CE2-CB 4.09Å; F43-L85 HydrophobicContact CE2-CD1 4.34Å; F43-L85 HydrophobicContact CE2-CD2 3.77Å; F43-L85 HydrophobicContact CE2-CG 4.28Å; F43-L85 HydrophobicContact CZ-CB 4.3Å; F43-L85 HydrophobicContact CZ-CD1 3.92Å; F43-L85 HydrophobicContact CZ-CD2 4.18Å; F43-L85 HydrophobicContact CZ-CG 4.35Å
44	P	84.1	Confident	69.8	Low	42 Å²	42	94.6 Å²	94.6	27%	0.273	49%	0.488	S	S	.	.			trans	-62.9	150.3	-176.6	26.5	-34.3	0	0	0	111.4	N46 L85 T135	P44-N46 PolarHBondContact O-N 3.3Å; P44-L85 HydrophobicContact CG-CD1 3.99Å; P44-L85 HydrophobicContact CG-CD2 3.54Å; P44-L85 HydrophobicContact CG-CG 4.34Å; P44-T135 HydrophobicContact CB-CG2 4Å; P44-T135 HydrophobicContact CG-CG2 3.86Å
45	T	83	Confident	72.5	Confident	128 Å²	128	88.1 Å²	88.1	79%	0.785	46%	0.462	S	S	*	.			trans	-60.1	107.8	179.3	38	0	0	0	0	111.1
46	N	90.3	Very high	75.5	Confident	5 Å²	5	86.1 Å²	86.1	3%	0.027	45%	0.446	C	S	.	.			trans	-137.7	141.2	175.6	-176	-64.8	0	0	0	109.9	F43 P44 I48 T49 E130 T135 S137	F43-N46 HydrophobicContact CE1-CB 4.3Å; P44-N46 PolarHBondContact O-N 3.3Å; N46-I48 HydrophobicContact CB-CG2 4.13Å; N46-I48 PolarHBondContact O-N 3.27Å; N46-I48 WeakPolarHBondContact OD1-CB 3.38Å; N46-I48 VanDerWaalsContact OD1-CG2 3.32Å; N46-I48 WeakPolarHBondContact OD1-CG2 3.47Å; N46-I48 PolarHBondContact OD1-N 3.2Å; N46-T49 PolarHBondContact O-N 3.2Å; N46-T49 VanDerWaalsContact O-N 3.16Å; N46-T49 PolarHBondContact O-OG1 3.04Å; N46-E130 PolarHBondContact ND2-O 3.2Å; N46-T135 PolarHBondContact ND2-OG1 2.87Å; N46-S137 PolarHBondContact ND2-OG 3.32Å; N46-S137 PolarHBondContact OD1-OG 2.77Å
47	P	92.3	Very high	78.5	Confident	39 Å²	39	79.6 Å²	79.6	25%	0.253	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-49.6	-28.8	177	-29	34.7	0	0	0	115.5	T49 K50 E130 T132	P47-T49 PolarHBondContact O-N 3.1Å; P47-T49 VanDerWaalsContact O-N 3.08Å; P47-K50 VanDerWaalsContact O-CB 3.24Å; P47-K50 WeakPolarHBondContact O-CB 3.34Å; P47-K50 VanDerWaalsContact O-CG 3.3Å; P47-K50 WeakPolarHBondContact O-CG 3.29Å; P47-K50 PolarHBondContact O-N 3.07Å; P47-E130 HydrophobicContact CB-CB 4.45Å; P47-E130 HydrophobicContact CB-CG 4.39Å; P47-T132 VanDerWaalsContact CD-CG2 3.46Å; P47-T132 HydrophobicContact CG-CG2 4.28Å
48	I	93.9	Very high	81.4	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-56.8	-27.5	-179.5	-159.1	159	0	0	0	113.4	F43 N46 K50 Y51 F52 V83 E130 S137 A139	F43-I48 HydrophobicContact CE1-CG2 4.09Å; F43-I48 HydrophobicContact CZ-CG2 4.21Å; N46-I48 HydrophobicContact CB-CG2 4.13Å; N46-I48 PolarHBondContact O-N 3.27Å; N46-I48 WeakPolarHBondContact OD1-CB 3.38Å; N46-I48 VanDerWaalsContact OD1-CG2 3.32Å; N46-I48 WeakPolarHBondContact OD1-CG2 3.47Å; N46-I48 PolarHBondContact OD1-N 3.2Å; I48-K50 PolarHBondContact O-N 3.22Å; I48-Y51 PolarHBondContact O-N 3.17Å; I48-F52 HydrophobicContact CD1-CD2 4.42Å; I48-F52 HydrophobicContact CG1-CD2 3.62Å; I48-F52 HydrophobicContact CG1-CE2 4.05Å; I48-F52 PolarHBondContact O-N 3.49Å; I48-F52 VanDerWaalsContact O-N 3.11Å; I48-V83 HydrophobicContact CD1-CG1 3.9Å; I48-V83 HydrophobicContact CD1-CG2 4.37Å; I48-V83 HydrophobicContact CG2-CG1 4.37Å; I48-E130 HydrophobicContact CB-CB 4.36Å; I48-E130 HydrophobicContact CB-CG 4.31Å; I48-S137 WeakPolarHBondContact CG2-OG 3.48Å; I48-A139 HydrophobicContact CD1-CB 4.49Å
49	T	91.4	Very high	84.3	Confident	53 Å²	53	63.2 Å²	63.2	33%	0.325	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.4	177.3	58.4	0	0	0	0	113.6	F43 N46 P47 Y51 F52 I54 R75	F43-T49 HydrophobicContact CD1-CG2 3.67Å; F43-T49 HydrophobicContact CE1-CG2 3.73Å; N46-T49 PolarHBondContact O-N 3.2Å; N46-T49 VanDerWaalsContact O-N 3.16Å; N46-T49 PolarHBondContact O-OG1 3.04Å; P47-T49 PolarHBondContact O-N 3.1Å; P47-T49 VanDerWaalsContact O-N 3.08Å; T49-Y51 VanDerWaalsContact C-N 3.29Å; T49-F52 VanDerWaalsContact O-O 3.05Å; T49-I54 HydrophobicContact CG2-CG1 4.41Å; T49-R75 PolarHBondContact O-NE 2.91Å; T49-R75 PolarHBondContact O-NH2 3.35Å
50	K	92.3	Very high	86.8	Confident	153 Å²	153	56.2 Å²	56.2	67%	0.665	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-66.9	-30.3	171.7	-64.8	178.1	-179.9	179.1	0	112.4	P47 I48 R75	P47-K50 VanDerWaalsContact O-CB 3.24Å; P47-K50 WeakPolarHBondContact O-CB 3.34Å; P47-K50 VanDerWaalsContact O-CG 3.3Å; P47-K50 WeakPolarHBondContact O-CG 3.29Å; P47-K50 PolarHBondContact O-N 3.07Å; I48-K50 PolarHBondContact O-N 3.22Å; K50-R75 VanDerWaalsContact O-CD 3.22Å; K50-R75 WeakPolarHBondContact O-CD 3.23Å
51	Y	94.1	Very high	89.1	Confident	109 Å²	109	51 Å²	51	43%	0.427	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-25.5	-175	-51.1	-69.2	0	0	0	112.8	I48 T49 R75 H127	I48-Y51 PolarHBondContact O-N 3.17Å; T49-Y51 VanDerWaalsContact C-N 3.29Å; Y51-R75 WeakPolarHBondContact O-CB 3.37Å; Y51-R75 WeakPolarHBondContact O-CG 3.34Å; Y51-R75 PolarHBondContact O-N 2.91Å; Y51-H127 AromaticContact CD2-NE2 3.46Å; Y51-H127 WeakPolarHBondContact CD2-NE2 3.5Å; Y51-H127 AromaticContact CE2-NE2 3.49Å; Y51-H127 WeakPolarHBondContact CE2-NE2 3.49Å
52	F	95.7	Very high	90.5	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.5	-173.8	-59.5	-85.5	0	0	0	112.1	I48 T49 I54 V73 R74 C81 V83 H127 A139	I48-F52 HydrophobicContact CD1-CD2 4.42Å; I48-F52 HydrophobicContact CG1-CD2 3.62Å; I48-F52 HydrophobicContact CG1-CE2 4.05Å; I48-F52 PolarHBondContact O-N 3.49Å; I48-F52 VanDerWaalsContact O-N 3.11Å; T49-F52 VanDerWaalsContact O-O 3.05Å; F52-I54 HydrophobicContact CB-CD1 3.87Å; F52-V73 WeakPolarHBondContact CA-O 3.4Å; F52-R74 HydrophobicContact CD1-CB 3.89Å; F52-R74 HydrophobicContact CD1-CG 4.22Å; F52-R74 HydrophobicContact CE1-CB 3.68Å; F52-R74 HydrophobicContact CE1-CG 3.77Å; F52-R74 HydrophobicContact CZ-CG 4.36Å; F52-C81 WeakPolarHBondContact CD1-SG 3.46Å; F52-C81 VanDerWaalsContact CE1-SG 3.57Å; F52-V83 HydrophobicContact CB-CG2 4.15Å; F52-V83 HydrophobicContact CD1-CG2 4.45Å; F52-V83 HydrophobicContact CD2-CG2 4.4Å; F52-V83 HydrophobicContact CG-CG2 4.08Å; F52-H127 HydrophobicContact CE2-CB 3.78Å; F52-H127 AromaticContact CE2-CD2 3.95Å; F52-H127 AromaticContact CE2-CG 3.92Å; F52-H127 HydrophobicContact CZ-CB 3.8Å; F52-A139 HydrophobicContact CD1-CB 4.49Å; F52-A139 HydrophobicContact CD2-CB 4.35Å; F52-A139 HydrophobicContact CE1-CB 3.86Å; F52-A139 HydrophobicContact CE2-CB 3.72Å; F52-A139 HydrophobicContact CZ-CB 3.44Å; F52-A139 VanDerWaalsContact CZ-CB 3.44Å
53	I	94.1	Very high	91.3	Very high	65 Å²	65	40.6 Å²	40.6	33%	0.333	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115	167	-59.5	168.9	0	0	0	106.5	A72 V73 R75	I53-A72 CarbonylContact O-C 3.59Å; I53-A72 WeakPolarHBondContact O-CA 3.41Å; I53-A72 WeakPolarHBondContact O-CB 3.31Å; I53-V73 PolarHBondContact N-O 2.74Å; I53-V73 PolarHBondContact O-N 2.99Å; I53-R75 HydrophobicContact CD1-CG 4.27Å; I53-R75 HydrophobicContact CG1-CG 3.83Å
54	I	93.9	Very high	91.5	Very high	25 Å²	25	44 Å²	44	13%	0.128	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129	-176	-47.6	-58.8	0	0	0	109.9	F43 T49 F52 Y70 A72 V83	F43-I54 HydrophobicContact CD1-CG1 4.39Å; F43-I54 HydrophobicContact CD2-CB 4.36Å; F43-I54 HydrophobicContact CD2-CG1 4.4Å; F43-I54 HydrophobicContact CD2-CG2 3.65Å; F43-I54 HydrophobicContact CE1-CG1 4.34Å; F43-I54 HydrophobicContact CE2-CG1 4.34Å; F43-I54 HydrophobicContact CE2-CG2 3.88Å; F43-I54 HydrophobicContact CG-CB 4.48Å; F43-I54 HydrophobicContact CG-CG1 4.41Å; F43-I54 HydrophobicContact CG-CG2 4.22Å; F43-I54 HydrophobicContact CZ-CG1 4.31Å; T49-I54 HydrophobicContact CG2-CG1 4.41Å; F52-I54 HydrophobicContact CB-CD1 3.87Å; I54-Y70 HydrophobicContact CG2-CD1 3.99Å; I54-Y70 HydrophobicContact CG2-CG 3.95Å; I54-A72 HydrophobicContact CD1-CB 3.94Å; I54-V83 HydrophobicContact CD1-CB 3.74Å; I54-V83 HydrophobicContact CD1-CG1 3.87Å; I54-V83 HydrophobicContact CD1-CG2 3.56Å
55	N	91.8	Very high	91.7	Very high	55 Å²	55	42 Å²	42	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-144.6	175.9	-58	-31.6	0	0	0	109.9	I41 D71	I41-N55 WeakPolarHBondContact CD1-O 3.13Å; N55-D71 WeakPolarHBondContact CA-O 3.42Å; N55-D71 HydrophobicContact CB-CB 4.29Å; N55-D71 VanDerWaalsContact CB-O 3.31Å; N55-D71 WeakPolarHBondContact CB-O 3.49Å; N55-D71 PolarHBondContact N-O 3.33Å; N55-D71 PolarHBondContact ND2-OD2 2.71Å
56	K	91.6	Very high	92.1	Very high	108 Å²	108	36 Å²	36	47%	0.47	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	153.4	-177.5	63.6	-176.2	-180	-179	0	112.6	I58 Y70 D71 F160	K56-I58 HydrophobicContact CG-CG2 4.28Å; K56-Y70 WeakPolarHBondContact O-CA 3.27Å; K56-D71 PolarHBondContact O-N 2.96Å; K56-F160 HydrophobicContact CD-CE2 4.34Å
57	Q	93.9	Very high	92.3	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.028	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	140	164.3	-168.8	-177.4	-8.1	0	0	108.9	A59 V69 Y70 R156 I161	Q57-A59 PolarHBondContact NE2-O 3.07Å; Q57-A59 VanDerWaalsContact NE2-O 3.13Å; Q57-V69 WeakPolarHBondContact CA-O 3.26Å; Q57-V69 WeakPolarHBondContact CG-O 3.5Å; Q57-Y70 HydrophobicContact CB-CD1 3.94Å; Q57-Y70 HydrophobicContact CB-CE1 3.73Å; Q57-Y70 HydrophobicContact CG-CE1 4.42Å; Q57-R156 PolarHBondContact NE2-O 3.2Å; Q57-I161 HydrophobicContact CB-CD1 3.96Å; Q57-I161 HydrophobicContact CG-CD1 4.17Å; Q57-I161 WeakPolarHBondContact O-CD1 3.33Å
58	I	92.6	Very high	92.4	Very high	21 Å²	21	36.7 Å²	36.7	11%	0.108	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	-29.6	179.9	53.8	170.7	0	0	0	112.6	K56 V69 D71 I143 I161	K56-I58 HydrophobicContact CG-CG2 4.28Å; I58-V69 HydrophobicContact CD1-CG1 4.17Å; I58-V69 HydrophobicContact CG1-CB 4.32Å; I58-V69 HydrophobicContact CG1-CG1 4.08Å; I58-V69 WeakPolarHBondContact CG1-O 3.26Å; I58-V69 PolarHBondContact N-O 3.03Å; I58-D71 HydrophobicContact CD1-CB 4.35Å; I58-D71 HydrophobicContact CG2-CB 3.89Å; I58-I143 WeakPolarHBondContact CD1-O 3.1Å; I58-I161 VanDerWaalsContact O-CG2 3.3Å; I58-I161 WeakPolarHBondContact O-CG2 3.39Å
59	A	94.5	Very high	92.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	174.3	-175.4	0	0	0	0	0	112.9	Q57 V69	Q57-A59 PolarHBondContact NE2-O 3.07Å; Q57-A59 VanDerWaalsContact NE2-O 3.13Å; A59-V69 HydrophobicContact CB-CB 3.96Å; A59-V69 HydrophobicContact CB-CG2 4.16Å; A59-V69 PolarHBondContact N-O 3.4Å; A59-V69 PolarHBondContact O-N 2.87Å
60	S	94	Very high	92.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.6	167	61.9	0	0	0	0	110.2	W67 S146 N149 T155	S60-W67 CarbonylContact C-O 3.59Å; S60-W67 WeakPolarHBondContact CA-O 3.4Å; S60-S146 VanDerWaalsContact O-CB 3.3Å; S60-S146 WeakPolarHBondContact O-CB 3.36Å; S60-S146 PolarHBondContact O-OG 3.42Å; S60-N149 PolarHBondContact N-OD1 3.09Å; S60-N149 PolarHBondContact O-ND2 3.28Å; S60-N149 PolarHBondContact O-OD1 3.26Å; S60-N149 PolarHBondContact OG-ND2 3.44Å; S60-T155 PolarHBondContact OG-O 3.2Å
61	C	94.5	Very high	92.9	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	-178.5	-173.6	68.2	0	0	0	0	113.6	L65 I66 W67 F84 L206	C61-L65 CarbonylContact O-C 3.55Å; C61-L65 WeakPolarHBondContact O-CA 3.41Å; C61-I66 PolarHBondContact O-N 2.89Å; C61-I66 VanDerWaalsContact O-N 3.14Å; C61-W67 PolarHBondContact N-O 3.06Å; C61-W67 WeakPolarHBondContact O-CB 3.36Å; C61-W67 PolarHBondContact O-N 3.43Å; C61-F84 WeakPolarHBondContact SG-CE1 3.48Å; C61-L206 HydrophobicContact CB-CD2 3.55Å
62	G	90.6	Very high	93	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.031	11%	0.112	C	C	.	.	S	Bend	trans	77.5	-177.1	-176	0	0	0	0	0	113.1	E64 L65 S203	G62-E64 PolarHBondContact O-N 3.02Å; G62-L65 PolarHBondContact O-N 3.47Å; G62-S203 PolarHBondContact N-O 3.25Å; G62-S203 WeakPolarHBondContact O-CB 3.37Å
63	P	86.8	Confident	93	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.039	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-53.9	130.1	-179.3	-23.5	33.8	0	0	0	110.3	L65 I66 F220 M248	P63-L65 PolarHBondContact O-N 3.42Å; P63-I66 HydrophobicContact CB-CD1 4.38Å; P63-I66 WeakPolarHBondContact O-CD1 3.46Å; P63-I66 VanDerWaalsContact O-CG1 3.23Å; P63-I66 WeakPolarHBondContact O-CG1 3.3Å; P63-I66 WeakPolarHBondContact O-CG2 3.09Å; P63-I66 PolarHBondContact O-N 3.43Å; P63-F220 HydrophobicContact CB-CE2 4.48Å; P63-F220 HydrophobicContact CG-CE2 3.77Å; P63-F220 HydrophobicContact CG-CZ 4.04Å; P63-M248 WeakPolarHBondContact CB-O 3.35Å
64	E	85.6	Confident	93.1	Very high	99 Å²	99	24.4 Å²	24.4	46%	0.463	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	55.3	19.1	-176.9	-66.1	-73.8	156.5	0	0	114.7	G62 I66 R156 M248	G62-E64 PolarHBondContact O-N 3.02Å; E64-I66 HydrophobicContact CB-CG2 4.05Å; E64-I66 PolarHBondContact O-N 3.32Å; E64-R156 PolarHBondContact O-NH1 3.08Å; E64-R156 PolarHBondContact O-NH2 3.29Å; E64-M248 HydrophobicContact CB-CG 4.07Å; E64-M248 HydrophobicContact CG-CG 4.07Å
65	L	89.8	Confident	93.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	55.4	44.5	-175.9	-56.5	-176.7	0	0	0	114.1	C61 G62 P63 A148 N153 R156	C61-L65 CarbonylContact O-C 3.55Å; C61-L65 WeakPolarHBondContact O-CA 3.41Å; G62-L65 PolarHBondContact O-N 3.47Å; P63-L65 PolarHBondContact O-N 3.42Å; L65-A148 HydrophobicContact CD2-CB 3.91Å; L65-N153 HydrophobicContact CD1-CB 3.99Å; L65-N153 WeakPolarHBondContact CD1-ND2 3.43Å; L65-N153 WeakPolarHBondContact CD1-O 3.39Å; L65-N153 VanDerWaalsContact CD1-OD1 3.29Å; L65-N153 WeakPolarHBondContact CD1-OD1 3.43Å; L65-R156 WeakPolarHBondContact O-CD 3.42Å; L65-R156 PolarHBondContact O-NH1 3.23Å
66	I	90.5	Very high	93.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.157	C	C	.	.			trans	-79	-30.1	-174.3	59.3	-170.6	0	0	0	114.2	C61 P63 E64 F86 L107 M248	C61-I66 PolarHBondContact O-N 2.89Å; C61-I66 VanDerWaalsContact O-N 3.14Å; P63-I66 HydrophobicContact CB-CD1 4.38Å; P63-I66 WeakPolarHBondContact O-CD1 3.46Å; P63-I66 VanDerWaalsContact O-CG1 3.23Å; P63-I66 WeakPolarHBondContact O-CG1 3.3Å; P63-I66 WeakPolarHBondContact O-CG2 3.09Å; P63-I66 PolarHBondContact O-N 3.43Å; E64-I66 HydrophobicContact CB-CG2 4.05Å; E64-I66 PolarHBondContact O-N 3.32Å; I66-F86 HydrophobicContact CB-CD2 4.11Å; I66-F86 HydrophobicContact CB-CE2 4.26Å; I66-L107 HydrophobicContact CD1-CD1 3.86Å; I66-L107 HydrophobicContact CD1-CD2 3.57Å; I66-L107 HydrophobicContact CD1-CG 4.14Å; I66-L107 HydrophobicContact CG1-CD2 4.4Å; I66-M248 HydrophobicContact CB-CE 4.26Å; I66-M248 HydrophobicContact CG2-CE 3.37Å; I66-M248 HydrophobicContact CG2-CG 4.03Å; I66-M248 HydrophobicContact CG2-SD 4.37Å
67	W	94.6	Very high	93.1	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.7	175.1	-67.5	115.4	0	0	0	109.3	S60 C61 F84 F86 L107 L136 F138	S60-W67 CarbonylContact C-O 3.59Å; S60-W67 WeakPolarHBondContact CA-O 3.4Å; C61-W67 PolarHBondContact N-O 3.06Å; C61-W67 WeakPolarHBondContact O-CB 3.36Å; C61-W67 PolarHBondContact O-N 3.43Å; W67-F84 HydrophobicContact CB-CD1 4.07Å; W67-F84 HydrophobicContact CD2-CB 4.43Å; W67-F84 HydrophobicContact CE3-CB 3.92Å; W67-F84 HydrophobicContact CG-CD1 4.28Å; W67-F84 HydrophobicContact CZ3-CB 4.37Å; W67-F86 HydrophobicContact CD2-CB 4.18Å; W67-F86 HydrophobicContact CE3-CB 3.48Å; W67-F86 VanDerWaalsContact CE3-CB 3.48Å; W67-F86 HydrophobicContact CH2-CB 3.98Å; W67-F86 HydrophobicContact CZ3-CB 3.37Å; W67-L107 HydrophobicContact CZ2-CB 3.87Å; W67-L107 HydrophobicContact CZ2-CD1 4.05Å; W67-L107 HydrophobicContact CZ2-CD2 3.73Å; W67-L107 HydrophobicContact CZ2-CG 4.08Å; W67-L136 HydrophobicContact CH2-CB 4.3Å; W67-L136 HydrophobicContact CH2-CD2 3.61Å; W67-L136 HydrophobicContact CH2-CG 3.99Å; W67-L136 HydrophobicContact CZ2-CD2 4.26Å; W67-L136 HydrophobicContact CZ3-CB 4.46Å; W67-F138 HydrophobicContact CD2-CE1 4.17Å; W67-F138 AromaticContact CE2-CE1 3.98Å; W67-F138 HydrophobicContact CE3-CE1 4.12Å; W67-F138 AromaticContact CH2-CD1 3.86Å; W67-F138 HydrophobicContact CH2-CD1 3.86Å; W67-F138 AromaticContact CH2-CE1 3.74Å; W67-F138 HydrophobicContact CH2-CE1 3.74Å; W67-F138 HydrophobicContact CZ2-CD1 4.31Å; W67-F138 AromaticContact CZ2-CE1 3.78Å; W67-F138 HydrophobicContact CZ2-CE1 3.78Å; W67-F138 HydrophobicContact CZ3-CD1 4.04Å; W67-F138 AromaticContact CZ3-CE1 3.92Å; W67-F138 HydrophobicContact CZ3-CE1 3.92Å
68	K	95.1	Very high	93	Very high	57 Å²	57	38.7 Å²	38.7	25%	0.248	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.8	163.5	-64.7	-179.2	-177.8	174.9	0	108	Y70 L85	K68-Y70 HydrophobicContact CB-CD2 4.37Å; K68-Y70 HydrophobicContact CB-CE2 3.61Å; K68-Y70 HydrophobicContact CD-CE2 4.48Å; K68-L85 PolarHBondContact N-O 3.26Å; K68-L85 PolarHBondContact O-N 3.04Å
69	V	95.9	Very high	93	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.8	-179.3	-170.6	0	0	0	0	108.8	Q57 I58 A59 F84 I143	Q57-V69 WeakPolarHBondContact CA-O 3.26Å; Q57-V69 WeakPolarHBondContact CG-O 3.5Å; I58-V69 HydrophobicContact CD1-CG1 4.17Å; I58-V69 HydrophobicContact CG1-CB 4.32Å; I58-V69 HydrophobicContact CG1-CG1 4.08Å; I58-V69 WeakPolarHBondContact CG1-O 3.26Å; I58-V69 PolarHBondContact N-O 3.03Å; A59-V69 HydrophobicContact CB-CB 3.96Å; A59-V69 HydrophobicContact CB-CG2 4.16Å; A59-V69 PolarHBondContact N-O 3.4Å; A59-V69 PolarHBondContact O-N 2.87Å; V69-F84 HydrophobicContact CG1-CD2 4.39Å; V69-F84 HydrophobicContact CG1-CE1 4.41Å; V69-F84 HydrophobicContact CG1-CE2 3.94Å; V69-F84 HydrophobicContact CG1-CZ 3.97Å; V69-F84 HydrophobicContact CG2-CD1 3.83Å; V69-F84 HydrophobicContact CG2-CE1 3.62Å; V69-F84 HydrophobicContact CG2-CG 4.43Å; V69-F84 HydrophobicContact CG2-CZ 4Å; V69-I143 HydrophobicContact CG1-CB 4.46Å
70	Y	95.4	Very high	93.1	Very high	13 Å²	13	43.5 Å²	43.5	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.3	178.7	-65.7	-99.7	0	0	0	110.3	I41 F43 I54 K56 Q57 K68 S82 V83 L85	I41-Y70 HydrophobicContact CG2-CE1 4.37Å; F43-Y70 HydrophobicContact CD2-CD1 4.36Å; F43-Y70 HydrophobicContact CD2-CD2 4.34Å; F43-Y70 HydrophobicContact CD2-CE1 4.25Å; F43-Y70 HydrophobicContact CD2-CE2 4.21Å; F43-Y70 HydrophobicContact CD2-CG 4.42Å; F43-Y70 AromaticContact CE2-CD2 3.93Å; F43-Y70 HydrophobicContact CE2-CD2 3.93Å; F43-Y70 HydrophobicContact CE2-CE2 4Å; F43-Y70 HydrophobicContact CE2-CG 4.29Å; I54-Y70 HydrophobicContact CG2-CD1 3.99Å; I54-Y70 HydrophobicContact CG2-CG 3.95Å; K56-Y70 WeakPolarHBondContact O-CA 3.27Å; Q57-Y70 HydrophobicContact CB-CD1 3.94Å; Q57-Y70 HydrophobicContact CB-CE1 3.73Å; Q57-Y70 HydrophobicContact CG-CE1 4.42Å; K68-Y70 HydrophobicContact CB-CD2 4.37Å; K68-Y70 HydrophobicContact CB-CE2 3.61Å; K68-Y70 HydrophobicContact CD-CE2 4.48Å; Y70-S82 CarbonylContact O-C 3.55Å; Y70-S82 VanDerWaalsContact O-CA 3.28Å; Y70-S82 WeakPolarHBondContact O-CA 3.48Å; Y70-V83 PolarHBondContact N-O 3.48Å; Y70-V83 PolarHBondContact O-N 2.87Å; Y70-L85 HydrophobicContact CD2-CB 4.3Å; Y70-L85 HydrophobicContact CE2-CB 3.94Å; Y70-L85 HydrophobicContact CE2-CD2 3.91Å
71	D	95.1	Very high	93.2	Very high	19 Å²	19	43.5 Å²	43.5	10%	0.102	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.2	165.2	-179.3	64.7	0	0	0	108.4	N55 K56 I58 R142	N55-D71 WeakPolarHBondContact CA-O 3.42Å; N55-D71 HydrophobicContact CB-CB 4.29Å; N55-D71 VanDerWaalsContact CB-O 3.31Å; N55-D71 WeakPolarHBondContact CB-O 3.49Å; N55-D71 PolarHBondContact N-O 3.33Å; N55-D71 PolarHBondContact ND2-OD2 2.71Å; K56-D71 PolarHBondContact O-N 2.96Å; I58-D71 HydrophobicContact CD1-CB 4.35Å; I58-D71 HydrophobicContact CG2-CB 3.89Å; D71-R142 IonicContact OD1-CZ 3.86Å; D71-R142 IonicContact OD1-NE 3.57Å; D71-R142 PolarHBondContact OD1-NE 3.36Å; D71-R142 IonicContact OD1-NH2 3.82Å; D71-R142 PolarHBondContact OD1-NH2 3.46Å; D71-R142 IonicContact OD2-NH2 3.62Å
72	A	96.1	Very high	93.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	163.8	-175.5	0	0	0	0	0	111.6	I53 I54 C81 V83	I53-A72 CarbonylContact O-C 3.59Å; I53-A72 WeakPolarHBondContact O-CA 3.41Å; I53-A72 WeakPolarHBondContact O-CB 3.31Å; I54-A72 HydrophobicContact CD1-CB 3.94Å; A72-C81 PolarHBondContact N-O 2.95Å; A72-C81 PolarHBondContact O-N 3.27Å; A72-V83 HydrophobicContact CB-CB 4.24Å; A72-V83 HydrophobicContact CB-CG2 3.69Å
73	V	96.3	Very high	93.6	Very high	32 Å²	32	43.3 Å²	43.3	19%	0.194	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.5	174.4	-179.1	0	0	0	0	109.2	F52 I53 Q78	F52-V73 WeakPolarHBondContact CA-O 3.4Å; I53-V73 PolarHBondContact N-O 2.74Å; I53-V73 PolarHBondContact O-N 2.99Å; V73-Q78 HydrophobicContact CG1-CB 4.21Å; V73-Q78 WeakPolarHBondContact CG1-O 3.45Å
74	R	96.3	Very high	94.1	Very high	61 Å²	61	43 Å²	43	23%	0.23	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.9	176.4	-172.3	164	66.7	-179.8	1.7	110.1	F52 Q76 D77 Q78 L79	F52-R74 HydrophobicContact CD1-CB 3.89Å; F52-R74 HydrophobicContact CD1-CG 4.22Å; F52-R74 HydrophobicContact CE1-CB 3.68Å; F52-R74 HydrophobicContact CE1-CG 3.77Å; F52-R74 HydrophobicContact CZ-CG 4.36Å; R74-Q76 HydrophobicContact CG-CB 4.43Å; R74-Q76 PolarHBondContact O-N 3.29Å; R74-D77 IonicContact CZ-OD1 2.68Å; R74-D77 IonicContact CZ-OD2 3.45Å; R74-D77 IonicContact NE-OD1 3.48Å; R74-D77 PolarHBondContact NE-OD1 2.94Å; R74-D77 IonicContact NE-OD2 3.31Å; R74-D77 IonicContact NH2-OD1 3.59Å; R74-D77 IonicContact NH2-OD2 2.8Å; R74-D77 PolarHBondContact NH2-OD2 2.98Å; R74-Q78 WeakPolarHBondContact O-CA 3.35Å; R74-Q78 PolarHBondContact O-N 2.96Å; R74-L79 HydrophobicContact CB-CB 4.19Å; R74-L79 PolarHBondContact N-O 3.26Å
75	R	93.7	Very high	94.6	Very high	125 Å²	125	38.5 Å²	38.5	47%	0.472	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-35.5	-174.5	-71.3	174.8	-177.1	-81.8	1.3	113.4	T49 K50 Y51 I53 Q78	T49-R75 PolarHBondContact O-NE 2.91Å; T49-R75 PolarHBondContact O-NH2 3.35Å; K50-R75 VanDerWaalsContact O-CD 3.22Å; K50-R75 WeakPolarHBondContact O-CD 3.23Å; Y51-R75 WeakPolarHBondContact O-CB 3.37Å; Y51-R75 WeakPolarHBondContact O-CG 3.34Å; Y51-R75 PolarHBondContact O-N 2.91Å; I53-R75 HydrophobicContact CD1-CG 4.27Å; I53-R75 HydrophobicContact CG1-CG 3.83Å; R75-Q78 PolarHBondContact O-NE2 2.82Å
76	Q	92.2	Very high	94.8	Very high	175 Å²	175	38.4 Å²	38.4	82%	0.818	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-44.9	-173.5	-176.6	178.2	-0.5	0	0	113	R74	R74-Q76 HydrophobicContact CG-CB 4.43Å; R74-Q76 PolarHBondContact O-N 3.29Å
77	D	92.1	Very high	94.9	Very high	78 Å²	78	40.9 Å²	40.9	42%	0.417	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	8.6	-170.6	66.4	-23.8	0	0	0	113.6	R74 L79	R74-D77 IonicContact CZ-OD1 2.68Å; R74-D77 IonicContact CZ-OD2 3.45Å; R74-D77 IonicContact NE-OD1 3.48Å; R74-D77 PolarHBondContact NE-OD1 2.94Å; R74-D77 IonicContact NE-OD2 3.31Å; R74-D77 IonicContact NH2-OD1 3.59Å; R74-D77 IonicContact NH2-OD2 2.8Å; R74-D77 PolarHBondContact NH2-OD2 2.98Å; D77-L79 PolarHBondContact O-N 3.11Å; D77-L79 VanDerWaalsContact OD1-CB 3.29Å; D77-L79 WeakPolarHBondContact OD1-CB 3.22Å; D77-L79 PolarHBondContact OD1-N 3.18Å; D77-L79 WeakPolarHBondContact OD2-CB 3.4Å
78	Q	92	Very high	94.7	Very high	116 Å²	116	41.4 Å²	41.4	54%	0.542	20%	0.198	S	C	.	.			trans	58.7	25	-176.9	-57	-61.6	-47.7	0	0	113.8	V73 R74 R75 P80	V73-Q78 HydrophobicContact CG1-CB 4.21Å; V73-Q78 WeakPolarHBondContact CG1-O 3.45Å; R74-Q78 WeakPolarHBondContact O-CA 3.35Å; R74-Q78 PolarHBondContact O-N 2.96Å; R75-Q78 PolarHBondContact O-NE2 2.82Å; Q78-P80 VanDerWaalsContact O-CD 3.29Å; Q78-P80 WeakPolarHBondContact O-CD 3.25Å
79	L	92.9	Very high	94.2	Very high	63 Å²	63	40.9 Å²	40.9	33%	0.33	20%	0.201	S	C	.	.			trans	-66.9	123.2	178.2	-176.8	68.8	0	0	0	110.8	R74 D77 C81 L126	R74-L79 HydrophobicContact CB-CB 4.19Å; R74-L79 PolarHBondContact N-O 3.26Å; D77-L79 PolarHBondContact O-N 3.11Å; D77-L79 VanDerWaalsContact OD1-CB 3.29Å; D77-L79 WeakPolarHBondContact OD1-CB 3.22Å; D77-L79 PolarHBondContact OD1-N 3.18Å; D77-L79 WeakPolarHBondContact OD2-CB 3.4Å; L79-C81 PolarHBondContact O-N 2.6Å; L79-L126 HydrophobicContact CD2-CD1 4.01Å
80	P	94.9	Very high	93.6	Very high	60 Å²	60	42.2 Å²	42.2	39%	0.39	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.8	172.2	-21.5	35	0	0	0	111.2	Q78 R142	Q78-P80 VanDerWaalsContact O-CD 3.29Å; Q78-P80 WeakPolarHBondContact O-CD 3.25Å; P80-R142 HydrophobicContact CB-CG 4.38Å
81	C	96.6	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	-179.3	-174.3	62.8	0	0	0	0	111.4	F52 A72 L79 L126 S140	F52-C81 WeakPolarHBondContact CD1-SG 3.46Å; F52-C81 VanDerWaalsContact CE1-SG 3.57Å; A72-C81 PolarHBondContact N-O 2.95Å; A72-C81 PolarHBondContact O-N 3.27Å; L79-C81 PolarHBondContact O-N 2.6Å; C81-L126 HydrophobicContact CB-CD1 3.78Å; C81-S140 VanDerWaalsContact CB-O 3.3Å; C81-S140 WeakPolarHBondContact CB-O 3.47Å
82	S	97.5	Very high	91.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.6	172.5	-65	0	0	0	0	111.2	Y70 A139 S140 I143	Y70-S82 CarbonylContact O-C 3.55Å; Y70-S82 VanDerWaalsContact O-CA 3.28Å; Y70-S82 WeakPolarHBondContact O-CA 3.48Å; S82-A139 CarbonylContact O-C 3.11Å; S82-A139 WeakPolarHBondContact O-CA 3.29Å; S82-S140 PolarHBondContact N-O 2.96Å; S82-S140 VanDerWaalsContact N-O 3.11Å; S82-S140 PolarHBondContact O-N 3.44Å; S82-I143 PolarHBondContact OG-N 2.9Å
83	V	97.2	Very high	90.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.1	177.4	169.1	0	0	0	0	109.6	F43 I48 F52 I54 Y70 A72 F138 A139	F43-V83 HydrophobicContact CZ-CG1 4.2Å; I48-V83 HydrophobicContact CD1-CG1 3.9Å; I48-V83 HydrophobicContact CD1-CG2 4.37Å; I48-V83 HydrophobicContact CG2-CG1 4.37Å; F52-V83 HydrophobicContact CB-CG2 4.15Å; F52-V83 HydrophobicContact CD1-CG2 4.45Å; F52-V83 HydrophobicContact CD2-CG2 4.4Å; F52-V83 HydrophobicContact CG-CG2 4.08Å; I54-V83 HydrophobicContact CD1-CB 3.74Å; I54-V83 HydrophobicContact CD1-CG1 3.87Å; I54-V83 HydrophobicContact CD1-CG2 3.56Å; Y70-V83 PolarHBondContact N-O 3.48Å; Y70-V83 PolarHBondContact O-N 2.87Å; A72-V83 HydrophobicContact CB-CB 4.24Å; A72-V83 HydrophobicContact CB-CG2 3.69Å; V83-F138 WeakPolarHBondContact CA-O 3.43Å; V83-A139 HydrophobicContact CG2-CB 4.01Å
84	F	97.1	Very high	88.5	Confident	1 Å²	1	55.5 Å²	55.5	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.7	-179.2	-70.5	-117	0	0	0	107.6	C61 W67 V69 L123 S137 F138 S140 I143 L206	C61-F84 WeakPolarHBondContact SG-CE1 3.48Å; W67-F84 HydrophobicContact CB-CD1 4.07Å; W67-F84 HydrophobicContact CD2-CB 4.43Å; W67-F84 HydrophobicContact CE3-CB 3.92Å; W67-F84 HydrophobicContact CG-CD1 4.28Å; W67-F84 HydrophobicContact CZ3-CB 4.37Å; V69-F84 HydrophobicContact CG1-CD2 4.39Å; V69-F84 HydrophobicContact CG1-CE1 4.41Å; V69-F84 HydrophobicContact CG1-CE2 3.94Å; V69-F84 HydrophobicContact CG1-CZ 3.97Å; V69-F84 HydrophobicContact CG2-CD1 3.83Å; V69-F84 HydrophobicContact CG2-CE1 3.62Å; V69-F84 HydrophobicContact CG2-CG 4.43Å; V69-F84 HydrophobicContact CG2-CZ 4Å; F84-L123 HydrophobicContact CZ-CD2 4.17Å; F84-S137 WeakPolarHBondContact O-CA 3.44Å; F84-S137 WeakPolarHBondContact O-CB 3.09Å; F84-F138 HydrophobicContact CB-CD1 3.75Å; F84-F138 HydrophobicContact CB-CD2 4.37Å; F84-F138 HydrophobicContact CB-CE1 3.35Å; F84-F138 HydrophobicContact CB-CE2 4.02Å; F84-F138 HydrophobicContact CB-CG 4.25Å; F84-F138 HydrophobicContact CB-CZ 3.5Å; F84-F138 HydrophobicContact CD1-CE1 4.05Å; F84-F138 HydrophobicContact CD1-CE2 4.18Å; F84-F138 AromaticContact CD1-CZ 3.5Å; F84-F138 HydrophobicContact CD1-CZ 3.5Å; F84-F138 VanDerWaalsContact CD1-CZ 3.5Å; F84-F138 HydrophobicContact CD2-CD2 4.31Å; F84-F138 AromaticContact CD2-CE2 3.69Å; F84-F138 HydrophobicContact CD2-CE2 3.69Å; F84-F138 AromaticContact CD2-CZ 3.83Å; F84-F138 HydrophobicContact CD2-CZ 3.83Å; F84-F138 HydrophobicContact CE1-CZ 4.14Å; F84-F138 HydrophobicContact CE2-CE2 4.25Å; F84-F138 HydrophobicContact CE2-CZ 4.48Å; F84-F138 HydrophobicContact CG-CD1 4.46Å; F84-F138 HydrophobicContact CG-CD2 4.43Å; F84-F138 AromaticContact CG-CE1 3.75Å; F84-F138 HydrophobicContact CG-CE1 3.75Å; F84-F138 AromaticContact CG-CE2 3.7Å; F84-F138 HydrophobicContact CG-CE2 3.7Å; F84-F138 AromaticContact CG-CZ 3.32Å; F84-F138 HydrophobicContact CG-CZ 3.32Å; F84-F138 PolarHBondContact N-O 2.82Å; F84-F138 PolarHBondContact O-N 3.31Å; F84-S140 WeakPolarHBondContact CE2-OG 3.39Å; F84-I143 HydrophobicContact CE2-CG1 4.42Å; F84-I143 HydrophobicContact CZ-CG1 4.13Å; F84-L206 HydrophobicContact CE1-CD1 3.91Å; F84-L206 HydrophobicContact CZ-CD1 3.75Å
85	L	95.8	Very high	86.2	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.5	-179.8	178	75.6	0	0	0	109.8	F43 P44 K68 Y70 T135	F43-L85 HydrophobicContact CD2-CD2 4.17Å; F43-L85 HydrophobicContact CE1-CD1 4.49Å; F43-L85 HydrophobicContact CE2-CB 4.09Å; F43-L85 HydrophobicContact CE2-CD1 4.34Å; F43-L85 HydrophobicContact CE2-CD2 3.77Å; F43-L85 HydrophobicContact CE2-CG 4.28Å; F43-L85 HydrophobicContact CZ-CB 4.3Å; F43-L85 HydrophobicContact CZ-CD1 3.92Å; F43-L85 HydrophobicContact CZ-CD2 4.18Å; F43-L85 HydrophobicContact CZ-CG 4.35Å; P44-L85 HydrophobicContact CG-CD1 3.99Å; P44-L85 HydrophobicContact CG-CD2 3.54Å; P44-L85 HydrophobicContact CG-CG 4.34Å; K68-L85 PolarHBondContact N-O 3.26Å; K68-L85 PolarHBondContact O-N 3.04Å; Y70-L85 HydrophobicContact CD2-CB 4.3Å; Y70-L85 HydrophobicContact CE2-CB 3.94Å; Y70-L85 HydrophobicContact CE2-CD2 3.91Å; L85-T135 HydrophobicContact CD1-CG2 4.13Å
86	F	93.7	Very high	84.6	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.5	168.8	168.1	-117.3	0	0	0	109.2	I66 W67 K88 A91 V103 L107 T135 L136 M248	I66-F86 HydrophobicContact CB-CD2 4.11Å; I66-F86 HydrophobicContact CB-CE2 4.26Å; W67-F86 HydrophobicContact CD2-CB 4.18Å; W67-F86 HydrophobicContact CE3-CB 3.48Å; W67-F86 VanDerWaalsContact CE3-CB 3.48Å; W67-F86 HydrophobicContact CH2-CB 3.98Å; W67-F86 HydrophobicContact CZ3-CB 3.37Å; F86-K88 HydrophobicContact CD1-CG 4.2Å; F86-K88 HydrophobicContact CE1-CB 4.4Å; F86-K88 HydrophobicContact CE1-CG 3.86Å; F86-A91 HydrophobicContact CZ-CB 4.28Å; F86-V103 HydrophobicContact CE1-CG1 4.28Å; F86-V103 HydrophobicContact CZ-CG1 3.84Å; F86-L107 HydrophobicContact CB-CD1 4.38Å; F86-L107 HydrophobicContact CD1-CD1 3.46Å; F86-L107 VanDerWaalsContact CD1-CD1 3.46Å; F86-L107 HydrophobicContact CD2-CD1 4.2Å; F86-L107 HydrophobicContact CE1-CD1 3.66Å; F86-L107 HydrophobicContact CE2-CD1 4.37Å; F86-L107 HydrophobicContact CG-CD1 3.75Å; F86-L107 HydrophobicContact CZ-CD1 4.12Å; F86-T135 CarbonylContact O-C 3.39Å; F86-T135 WeakPolarHBondContact O-CA 3.46Å; F86-L136 HydrophobicContact CB-CB 4.23Å; F86-L136 HydrophobicContact CD1-CB 4.02Å; F86-L136 HydrophobicContact CD1-CD2 4.46Å; F86-L136 PolarHBondContact N-O 3.32Å; F86-L136 PolarHBondContact O-N 3.41Å; F86-M248 HydrophobicContact CE2-CE 3.83Å; F86-M248 HydrophobicContact CZ-CE 4.21Å
87	D	91.5	Very high	82.9	Confident	52 Å²	52	58 Å²	58	28%	0.278	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.4	171.8	175.1	-7.1	0	0	0	108.7	S89 I90	D87-S89 PolarHBondContact O-N 3.2Å; D87-S89 WeakPolarHBondContact OD1-CB 3.06Å; D87-S89 PolarHBondContact OD1-N 3.37Å; D87-S89 PolarHBondContact OD1-OG 3.14Å; D87-S89 PolarHBondContact OD2-OG 3.38Å; D87-I90 HydrophobicContact CB-CD1 4.01Å; D87-I90 HydrophobicContact CB-CG1 4.23Å; D87-I90 WeakPolarHBondContact O-CB 3.39Å; D87-I90 WeakPolarHBondContact O-CG1 3.26Å; D87-I90 PolarHBondContact O-N 3.45Å; D87-I90 VanDerWaalsContact O-N 3.16Å
88	K	90.3	Very high	81.9	Confident	14 Å²	14	64 Å²	64	6%	0.061	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.6	-175.2	-65.1	175.9	172.3	177.9	0	112.4	F86 I90 A91 R100 E131 T132 S133 E134	F86-K88 HydrophobicContact CD1-CG 4.2Å; F86-K88 HydrophobicContact CE1-CB 4.4Å; F86-K88 HydrophobicContact CE1-CG 3.86Å; K88-I90 PolarHBondContact O-N 3.01Å; K88-A91 WeakPolarHBondContact O-CB 3Å; K88-A91 PolarHBondContact O-N 3Å; K88-R100 HydrophobicContact CB-CG 4.16Å; K88-E131 IonicContact NZ-OE1 2.53Å; K88-E131 PolarHBondContact NZ-OE1 2.96Å; K88-T132 PolarHBondContact NZ-O 3.42Å; K88-S133 WeakPolarHBondContact CD-O 3.23Å; K88-E134 VanDerWaalsContact CB-O 3.25Å; K88-E134 WeakPolarHBondContact CB-O 3.44Å; K88-E134 WeakPolarHBondContact CG-O 3.43Å; K88-E134 PolarHBondContact N-O 2.94Å
89	S	85.3	Confident	81.2	Confident	46 Å²	46	61.6 Å²	61.6	32%	0.322	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-24.2	176.1	75.3	0	0	0	0	112.8	D87 A91 D92 K93	D87-S89 PolarHBondContact O-N 3.2Å; D87-S89 WeakPolarHBondContact OD1-CB 3.06Å; D87-S89 PolarHBondContact OD1-N 3.37Å; D87-S89 PolarHBondContact OD1-OG 3.14Å; D87-S89 PolarHBondContact OD2-OG 3.38Å; S89-A91 VanDerWaalsContact C-N 3.26Å; S89-A91 PolarHBondContact O-N 2.69Å; S89-D92 WeakPolarHBondContact O-CB 3.19Å; S89-D92 PolarHBondContact O-N 2.99Å; S89-D92 VanDerWaalsContact O-N 3.1Å; S89-K93 PolarHBondContact O-N 2.9Å
90	I	83.3	Confident	80.7	Confident	27 Å²	27	63.1 Å²	63.1	14%	0.138	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-34.9	175.9	-59.4	171.7	0	0	0	110.6	D87 K88 D92 M248	D87-I90 HydrophobicContact CB-CD1 4.01Å; D87-I90 HydrophobicContact CB-CG1 4.23Å; D87-I90 WeakPolarHBondContact O-CB 3.39Å; D87-I90 WeakPolarHBondContact O-CG1 3.26Å; D87-I90 PolarHBondContact O-N 3.45Å; D87-I90 VanDerWaalsContact O-N 3.16Å; K88-I90 PolarHBondContact O-N 3.01Å; I90-D92 VanDerWaalsContact C-N 3.32Å; I90-M248 HydrophobicContact CG2-CE 4.04Å
91	A	80.5	Confident	80.3	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-73.5	-25.7	175.8	0	0	0	0	0	112.4	F86 K88 S89 R100 M248	F86-A91 HydrophobicContact CZ-CB 4.28Å; K88-A91 WeakPolarHBondContact O-CB 3Å; K88-A91 PolarHBondContact O-N 3Å; S89-A91 VanDerWaalsContact C-N 3.26Å; S89-A91 PolarHBondContact O-N 2.69Å; A91-R100 HydrophobicContact CB-CB 4.25Å; A91-R100 HydrophobicContact CB-CG 4.35Å; A91-M248 HydrophobicContact CB-CE 4.17Å
92	D	74.8	Confident	79.8	Confident	73 Å²	73	66.8 Å²	66.8	39%	0.39	32%	0.32	S	S	.	.	H	α-helix	trans	-76.4	-31.9	-177.7	-68.7	-26.9	0	0	0	112.9	S89 I90 L94 H95 R100	S89-D92 WeakPolarHBondContact O-CB 3.19Å; S89-D92 PolarHBondContact O-N 2.99Å; S89-D92 VanDerWaalsContact O-N 3.1Å; I90-D92 VanDerWaalsContact C-N 3.32Å; D92-L94 PolarHBondContact O-N 3.28Å; D92-H95 PolarHBondContact O-N 3.34Å; D92-R100 WeakPolarHBondContact OD1-CD 3.23Å; D92-R100 IonicContact OD1-NH1 3.88Å; D92-R100 IonicContact OD2-NH1 3.21Å; D92-R100 PolarHBondContact OD2-NH1 3.23Å
93	K	65.1	Low	79.4	Confident	171 Å²	171	66.8 Å²	66.8	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-7.2	177.1	-70.9	-179.2	-178.9	177.9	0	114.2	S89	S89-K93 PolarHBondContact O-N 2.9Å
94	L	56.4	Low	79.1	Confident	97 Å²	97	67.1 Å²	67.1	51%	0.508	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	47.9	176.7	-70.3	154.1	0	0	0	111.7	D92 K96 R99 M248	D92-L94 PolarHBondContact O-N 3.28Å; L94-K96 PolarHBondContact O-N 3.1Å; L94-R99 WeakPolarHBondContact O-CD 3.35Å; L94-R99 PolarHBondContact O-NH1 3.34Å; L94-M248 HydrophobicContact CD1-SD 4.27Å
95	H	48	Very low	78.7	Confident	183 Å²	183	70.1 Å²	70.1	85%	0.847	34%	0.343	S	S	*	.			trans	26.1	44	156.1	-87.9	-55.6	0	0	0	121.8	D92	D92-H95 PolarHBondContact O-N 3.34Å
96	K	59.2	Low	78.4	Confident	96 Å²	96	70.1 Å²	70.1	42%	0.417	34%	0.344	S	S	.	.			trans	-135.9	127.5	155.4	-60.1	-168.4	-178.1	-167.2	0	110.9	L94 R98 R99 E367	L94-K96 PolarHBondContact O-N 3.1Å; K96-R98 PolarHBondContact O-N 3.02Å; K96-R99 HydrophobicContact CB-CG 3.93Å; K96-R99 WeakPolarHBondContact O-CB 3.36Å; K96-R99 PolarHBondContact O-N 3.34Å; K96-E367 IonicContact NZ-OE1 2.8Å; K96-E367 PolarHBondContact NZ-OE1 3.15Å
97	P	57.3	Low	78.4	Confident	134 Å²	134	70.2 Å²	70.2	87%	0.87	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.2	-165.2	19.5	-31.3	0	0	0	116.4
98	R	69.5	Low	78.4	Confident	203 Å²	203	71.3 Å²	71.3	77%	0.766	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-3.3	177.2	-72.5	-176.3	174.7	165.8	-1.6	114.7	K96 I102	K96-R98 PolarHBondContact O-N 3.02Å; R98-I102 WeakPolarHBondContact O-CD1 3.22Å; R98-I102 WeakPolarHBondContact O-CG1 3.32Å; R98-I102 PolarHBondContact O-N 3.16Å
99	R	77.8	Confident	78.4	Confident	66 Å²	66	72.5 Å²	72.5	25%	0.249	35%	0.35	C	S	.	.	H	α-helix	trans	-69.3	-40.7	-172.4	-77.1	177.3	170.2	177.6	-3	112.7	L94 K96 D101 I102 V103 P246	L94-R99 WeakPolarHBondContact O-CD 3.35Å; L94-R99 PolarHBondContact O-NH1 3.34Å; K96-R99 HydrophobicContact CB-CG 3.93Å; K96-R99 WeakPolarHBondContact O-CB 3.36Å; K96-R99 PolarHBondContact O-N 3.34Å; R99-D101 VanDerWaalsContact C-N 3.33Å; R99-D101 PolarHBondContact O-N 2.85Å; R99-I102 PolarHBondContact O-N 2.85Å; R99-V103 WeakPolarHBondContact O-CG2 3.48Å; R99-V103 PolarHBondContact O-N 3.47Å; R99-P246 HydrophobicContact CB-CB 4.31Å; R99-P246 HydrophobicContact CB-CG 4.08Å; R99-P246 HydrophobicContact CG-CB 3.94Å; R99-P246 HydrophobicContact CG-CG 4Å
100	R	83	Confident	78.7	Confident	96 Å²	96	70.3 Å²	70.3	36%	0.362	34%	0.335	S	S	.	.	H	α-helix	trans	-59	-43.8	-178.8	-175.5	-179.9	66.1	-164.9	7.9	112.2	K88 A91 D92 V103 T104	K88-R100 HydrophobicContact CB-CG 4.16Å; A91-R100 HydrophobicContact CB-CB 4.25Å; A91-R100 HydrophobicContact CB-CG 4.35Å; D92-R100 WeakPolarHBondContact OD1-CD 3.23Å; D92-R100 IonicContact OD1-NH1 3.88Å; D92-R100 IonicContact OD2-NH1 3.21Å; D92-R100 PolarHBondContact OD2-NH1 3.23Å; R100-V103 PolarHBondContact O-N 3.1Å; R100-T104 VanDerWaalsContact O-CB 3.3Å; R100-T104 WeakPolarHBondContact O-CB 3.36Å; R100-T104 PolarHBondContact O-N 3.41Å; R100-T104 PolarHBondContact O-OG1 2.86Å
101	D	86.2	Confident	79.2	Confident	95 Å²	95	69.1 Å²	69.1	51%	0.508	33%	0.329	S	S	.	.	H	α-helix	trans	-69.5	-37.6	-178.3	-56.7	-27	0	0	0	111.6	R99 T104 S105	R99-D101 VanDerWaalsContact C-N 3.33Å; R99-D101 PolarHBondContact O-N 2.85Å; D101-T104 PolarHBondContact O-N 3.06Å; D101-S105 WeakPolarHBondContact O-CB 3.44Å; D101-S105 PolarHBondContact O-N 3.05Å; D101-S105 PolarHBondContact O-OG 2.64Å
102	I	86.4	Confident	79.7	Confident	41 Å²	41	74.4 Å²	74.4	21%	0.21	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-46.1	174.4	-63.4	166.8	0	0	0	110.8	R98 R99 S105 V106 W245 A249	R98-I102 WeakPolarHBondContact O-CD1 3.22Å; R98-I102 WeakPolarHBondContact O-CG1 3.32Å; R98-I102 PolarHBondContact O-N 3.16Å; R99-I102 PolarHBondContact O-N 2.85Å; I102-S105 PolarHBondContact O-N 2.89Å; I102-S105 PolarHBondContact O-OG 3.42Å; I102-V106 WeakPolarHBondContact O-CG2 3.39Å; I102-V106 PolarHBondContact O-N 2.84Å; I102-W245 HydrophobicContact CG2-CD2 3.97Å; I102-W245 HydrophobicContact CG2-CG 3.95Å; I102-A249 HydrophobicContact CG2-CB 3.98Å
103	V	89	Confident	80.5	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-45.9	177.8	174.2	0	0	0	0	110.2	F86 R99 R100 S105 V106 L107 P246 M248 A249	F86-V103 HydrophobicContact CE1-CG1 4.28Å; F86-V103 HydrophobicContact CZ-CG1 3.84Å; R99-V103 WeakPolarHBondContact O-CG2 3.48Å; R99-V103 PolarHBondContact O-N 3.47Å; R100-V103 PolarHBondContact O-N 3.1Å; V103-S105 VanDerWaalsContact C-N 3.33Å; V103-S105 PolarHBondContact O-N 3.4Å; V103-V106 PolarHBondContact O-N 2.98Å; V103-L107 HydrophobicContact CG1-CD1 3.98Å; V103-L107 HydrophobicContact CG1-CG 4.4Å; V103-L107 WeakPolarHBondContact O-CG 3.38Å; V103-L107 PolarHBondContact O-N 3.1Å; V103-P246 HydrophobicContact CG2-CB 4.5Å; V103-P246 HydrophobicContact CG2-CG 3.58Å; V103-M248 HydrophobicContact CG1-CB 4.28Å; V103-M248 HydrophobicContact CG1-CE 4.14Å; V103-M248 HydrophobicContact CG2-CB 3.87Å; V103-A249 HydrophobicContact CG2-CB 4.19Å
104	T	90.6	Very high	81.8	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-39.8	179.5	-55.3	0	0	0	0	111.4	R100 D101 L107 K108	R100-T104 VanDerWaalsContact O-CB 3.3Å; R100-T104 WeakPolarHBondContact O-CB 3.36Å; R100-T104 PolarHBondContact O-N 3.41Å; R100-T104 PolarHBondContact O-OG1 2.86Å; D101-T104 PolarHBondContact O-N 3.06Å; T104-L107 PolarHBondContact O-N 3Å; T104-K108 HydrophobicContact CG2-CD 4.29Å; T104-K108 WeakPolarHBondContact O-CB 3.34Å; T104-K108 VanDerWaalsContact O-CG 3.3Å; T104-K108 WeakPolarHBondContact O-CG 3.28Å; T104-K108 PolarHBondContact O-N 3.25Å
105	S	89.3	Confident	83.5	Confident	64 Å²	64	61.7 Å²	61.7	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-68.2	-39.9	177.9	69	0	0	0	0	112.6	D101 I102 V103 K108 R109	D101-S105 WeakPolarHBondContact O-CB 3.44Å; D101-S105 PolarHBondContact O-N 3.05Å; D101-S105 PolarHBondContact O-OG 2.64Å; I102-S105 PolarHBondContact O-N 2.89Å; I102-S105 PolarHBondContact O-OG 3.42Å; V103-S105 VanDerWaalsContact C-N 3.33Å; V103-S105 PolarHBondContact O-N 3.4Å; S105-K108 PolarHBondContact O-N 3.31Å; S105-R109 WeakPolarHBondContact O-CB 3.4Å; S105-R109 PolarHBondContact O-N 3.23Å
106	V	89.5	Confident	85.5	Confident	4 Å²	4	56 Å²	56	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-43.9	174.1	170.4	0	0	0	0	111.1	I102 V103 R109 D110 A219 F220 W245 A249	I102-V106 WeakPolarHBondContact O-CG2 3.39Å; I102-V106 PolarHBondContact O-N 2.84Å; V103-V106 PolarHBondContact O-N 2.98Å; V106-R109 WeakPolarHBondContact O-CB 3.44Å; V106-R109 PolarHBondContact O-N 3.26Å; V106-D110 PolarHBondContact O-N 3Å; V106-A219 HydrophobicContact CG1-CB 3.88Å; V106-F220 HydrophobicContact CG1-CE1 3.87Å; V106-F220 HydrophobicContact CG1-CZ 4.2Å; V106-W245 HydrophobicContact CG2-CH2 4.34Å; V106-W245 HydrophobicContact CG2-CZ3 3.96Å; V106-A249 HydrophobicContact CG2-CB 4.18Å
107	L	92.4	Very high	86.9	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-68.8	-33.6	177.7	-69.3	175.9	0	0	0	113.6	I66 W67 F86 V103 T104 D110 V111 L136	I66-L107 HydrophobicContact CD1-CD1 3.86Å; I66-L107 HydrophobicContact CD1-CD2 3.57Å; I66-L107 HydrophobicContact CD1-CG 4.14Å; I66-L107 HydrophobicContact CG1-CD2 4.4Å; W67-L107 HydrophobicContact CZ2-CB 3.87Å; W67-L107 HydrophobicContact CZ2-CD1 4.05Å; W67-L107 HydrophobicContact CZ2-CD2 3.73Å; W67-L107 HydrophobicContact CZ2-CG 4.08Å; F86-L107 HydrophobicContact CB-CD1 4.38Å; F86-L107 HydrophobicContact CD1-CD1 3.46Å; F86-L107 VanDerWaalsContact CD1-CD1 3.46Å; F86-L107 HydrophobicContact CD2-CD1 4.2Å; F86-L107 HydrophobicContact CE1-CD1 3.66Å; F86-L107 HydrophobicContact CE2-CD1 4.37Å; F86-L107 HydrophobicContact CG-CD1 3.75Å; F86-L107 HydrophobicContact CZ-CD1 4.12Å; V103-L107 HydrophobicContact CG1-CD1 3.98Å; V103-L107 HydrophobicContact CG1-CG 4.4Å; V103-L107 WeakPolarHBondContact O-CG 3.38Å; V103-L107 PolarHBondContact O-N 3.1Å; T104-L107 PolarHBondContact O-N 3Å; L107-D110 VanDerWaalsContact O-CB 3.22Å; L107-D110 WeakPolarHBondContact O-CB 3.4Å; L107-D110 PolarHBondContact O-N 3.17Å; L107-V111 PolarHBondContact O-N 2.71Å; L107-L136 HydrophobicContact CB-CD2 3.82Å; L107-L136 HydrophobicContact CD1-CD2 4.42Å
108	K	92.4	Very high	88.2	Confident	76 Å²	76	52.2 Å²	52.2	33%	0.33	24%	0.237	S	C	.	.	H	α-helix	trans	-65.5	-43.1	172.4	-76.9	172.8	175.5	179.9	0	111.8	T104 S105 D110 R112 I129 E131 L136	T104-K108 HydrophobicContact CG2-CD 4.29Å; T104-K108 WeakPolarHBondContact O-CB 3.34Å; T104-K108 VanDerWaalsContact O-CG 3.3Å; T104-K108 WeakPolarHBondContact O-CG 3.28Å; T104-K108 PolarHBondContact O-N 3.25Å; S105-K108 PolarHBondContact O-N 3.31Å; K108-D110 VanDerWaalsContact C-N 3.28Å; K108-D110 PolarHBondContact O-N 3.42Å; K108-R112 WeakPolarHBondContact O-CB 3.36Å; K108-R112 PolarHBondContact O-N 2.88Å; K108-R112 VanDerWaalsContact O-N 3.12Å; K108-I129 HydrophobicContact CB-CD1 4.21Å; K108-I129 HydrophobicContact CG-CD1 4Å; K108-E131 WeakPolarHBondContact CE-OE1 3.45Å; K108-E131 WeakPolarHBondContact CE-OE2 3.46Å; K108-E131 IonicContact NZ-OE1 2.67Å; K108-E131 PolarHBondContact NZ-OE1 3.46Å; K108-E131 IonicContact NZ-OE2 3.5Å; K108-E131 PolarHBondContact NZ-OE2 2.91Å; K108-L136 HydrophobicContact CG-CD1 4.33Å; K108-L136 HydrophobicContact CG-CD2 4.41Å
109	R	89.9	Confident	89.1	Confident	38 Å²	38	44.2 Å²	44.2	14%	0.143	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-40.7	174.7	-175.2	173	73.8	118.5	-17.5	111.3	S105 V106 R112 L113 A219	S105-R109 WeakPolarHBondContact O-CB 3.4Å; S105-R109 PolarHBondContact O-N 3.23Å; V106-R109 WeakPolarHBondContact O-CB 3.44Å; V106-R109 PolarHBondContact O-N 3.26Å; R109-R112 PolarHBondContact O-N 3.12Å; R109-L113 HydrophobicContact CG-CD1 3.88Å; R109-L113 HydrophobicContact CG-CG 4.24Å; R109-L113 WeakPolarHBondContact O-CG 3.04Å; R109-L113 PolarHBondContact O-N 3.22Å; R109-A219 PolarHBondContact NE-O 3.22Å; R109-A219 PolarHBondContact NH2-O 3.46Å
110	D	92.3	Very high	89.5	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-50.1	-60	176.7	-164.1	16	0	0	0	111.9	V106 L107 K108 R112 L113 L114 S217 A218 A219	V106-D110 PolarHBondContact O-N 3Å; L107-D110 VanDerWaalsContact O-CB 3.22Å; L107-D110 WeakPolarHBondContact O-CB 3.4Å; L107-D110 PolarHBondContact O-N 3.17Å; K108-D110 VanDerWaalsContact C-N 3.28Å; K108-D110 PolarHBondContact O-N 3.42Å; D110-R112 PolarHBondContact O-N 3.38Å; D110-L113 PolarHBondContact O-N 3.28Å; D110-L114 WeakPolarHBondContact O-CG 3.47Å; D110-L114 PolarHBondContact O-N 2.96Å; D110-S217 WeakPolarHBondContact OD1-CA 3.42Å; D110-A218 PolarHBondContact OD1-N 3.44Å; D110-A219 HydrophobicContact CB-CB 3.7Å; D110-A219 PolarHBondContact OD1-N 2.95Å
111	V	93	Very high	90	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-34.7	-177.7	-174.3	0	0	0	0	112	L107 L114 T115 I125 I129 F138	L107-V111 PolarHBondContact O-N 2.71Å; V111-L114 PolarHBondContact O-N 3.4Å; V111-T115 PolarHBondContact O-N 3.01Å; V111-T115 PolarHBondContact O-OG1 3.17Å; V111-I125 HydrophobicContact CG1-CD1 4.32Å; V111-I125 HydrophobicContact CG1-CG1 4.41Å; V111-I125 HydrophobicContact CG1-CG2 4.31Å; V111-I129 HydrophobicContact CB-CD1 3.6Å; V111-I129 HydrophobicContact CB-CG1 3.78Å; V111-I129 HydrophobicContact CG1-CD1 4.24Å; V111-I129 HydrophobicContact CG1-CG1 3.86Å; V111-I129 HydrophobicContact CG2-CD1 3.7Å; V111-I129 HydrophobicContact CG2-CG1 3.87Å; V111-F138 HydrophobicContact CG1-CB 4.33Å; V111-F138 HydrophobicContact CG1-CD2 4.31Å; V111-F138 HydrophobicContact CG1-CG 4.14Å; V111-F138 HydrophobicContact CG2-CD1 3.59Å; V111-F138 HydrophobicContact CG2-CE1 3.63Å; V111-F138 HydrophobicContact CG2-CG 4.06Å; V111-F138 HydrophobicContact CG2-CZ 4.15Å
112	R	91.7	Very high	90.3	Very high	114 Å²	114	34 Å²	34	43%	0.43	17%	0.168	S	C	.	.	H	α-helix	trans	-60.6	-47.2	175.3	-177.5	177.9	175.4	-171	-3.2	111.2	K108 R109 D110 T115 Q116 E235	K108-R112 WeakPolarHBondContact O-CB 3.36Å; K108-R112 PolarHBondContact O-N 2.88Å; K108-R112 VanDerWaalsContact O-N 3.12Å; R109-R112 PolarHBondContact O-N 3.12Å; D110-R112 PolarHBondContact O-N 3.38Å; R112-T115 WeakPolarHBondContact O-CB 3.26Å; R112-T115 PolarHBondContact O-N 3.19Å; R112-Q116 WeakPolarHBondContact O-CG 3.42Å; R112-Q116 PolarHBondContact O-N 3.21Å; R112-Q116 VanDerWaalsContact O-N 3.13Å; R112-E235 IonicContact CZ-OE1 3.18Å; R112-E235 IonicContact CZ-OE2 3.99Å; R112-E235 IonicContact NH1-OE1 3.21Å; R112-E235 PolarHBondContact NH1-OE1 3.49Å; R112-E235 IonicContact NH1-OE2 3.32Å; R112-E235 PolarHBondContact NH1-OE2 3.48Å; R112-E235 VanDerWaalsContact NH2-CD 3.3Å; R112-E235 IonicContact NH2-OE1 2.78Å; R112-E235 PolarHBondContact NH2-OE1 3.05Å; R112-E235 IonicContact NH2-OE2 3.23Å
113	L	91.2	Very high	90.7	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-39.3	178.2	-70.4	174.5	0	0	0	111.8	R109 D110 T115 Q116 L117 A218 Y234	R109-L113 HydrophobicContact CG-CD1 3.88Å; R109-L113 HydrophobicContact CG-CG 4.24Å; R109-L113 WeakPolarHBondContact O-CG 3.04Å; R109-L113 PolarHBondContact O-N 3.22Å; D110-L113 PolarHBondContact O-N 3.28Å; L113-T115 PolarHBondContact O-N 2.9Å; L113-Q116 PolarHBondContact O-N 2.88Å; L113-Q116 VanDerWaalsContact O-N 3.12Å; L113-L117 WeakPolarHBondContact O-CB 3.35Å; L113-L117 PolarHBondContact O-N 3.21Å; L113-A218 HydrophobicContact CB-CB 3.7Å; L113-A218 WeakPolarHBondContact CD1-O 3.31Å; L113-Y234 HydrophobicContact CD2-CD1 4.42Å
114	L	92.6	Very high	90.8	Very high	6 Å²	6	37 Å²	37	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-30	172.9	-71	173.5	0	0	0	112.8	D110 V111 M122 L123 I125 A218	D110-L114 WeakPolarHBondContact O-CG 3.47Å; D110-L114 PolarHBondContact O-N 2.96Å; V111-L114 PolarHBondContact O-N 3.4Å; L114-M122 HydrophobicContact CD2-CE 3.73Å; L114-L123 HydrophobicContact CD1-CD2 4.42Å; L114-I125 HydrophobicContact CB-CD1 4.31Å; L114-I125 HydrophobicContact CB-CG1 4Å; L114-I125 HydrophobicContact CD1-CD1 4.37Å; L114-A218 HydrophobicContact CD2-CB 3.86Å; L114-A218 HydrophobicContact CG-CB 3.91Å
115	T	91.3	Very high	91.1	Very high	64 Å²	64	37.6 Å²	37.6	39%	0.393	18%	0.183	S	C	.	.	H	α-helix	trans	-78.4	-27.3	176.5	-51.4	0	0	0	0	112.2	V111 R112 L113 H118	V111-T115 PolarHBondContact O-N 3.01Å; V111-T115 PolarHBondContact O-OG1 3.17Å; R112-T115 WeakPolarHBondContact O-CB 3.26Å; R112-T115 PolarHBondContact O-N 3.19Å; L113-T115 PolarHBondContact O-N 2.9Å; T115-H118 PolarHBondContact O-CE1 3.27Å; T115-H118 PolarHBondContact O-NE2 3.3Å
116	Q	89.9	Confident	91.3	Very high	63 Å²	63	36.7 Å²	36.7	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-87.2	-35.9	-179.7	-70.1	174.9	-21.1	0	0	112.9	R112 L113 H118 Y234	R112-Q116 WeakPolarHBondContact O-CG 3.42Å; R112-Q116 PolarHBondContact O-N 3.21Å; R112-Q116 VanDerWaalsContact O-N 3.13Å; L113-Q116 PolarHBondContact O-N 2.88Å; L113-Q116 VanDerWaalsContact O-N 3.12Å; Q116-H118 PolarHBondContact O-N 3.06Å; Q116-Y234 HydrophobicContact CB-CD1 4.44Å; Q116-Y234 HydrophobicContact CB-CE1 4.14Å
117	L	88.8	Confident	91.5	Very high	4 Å²	4	38 Å²	38	2%	0.021	18%	0.179	C	C	.	.			trans	-87.5	102.2	-178.7	-68	170.7	0	0	0	110.2	L113 M122 L189 Q193 L195 I221 Y234	L113-L117 WeakPolarHBondContact O-CB 3.35Å; L113-L117 PolarHBondContact O-N 3.21Å; L117-M122 HydrophobicContact CB-CE 3.59Å; L117-M122 HydrophobicContact CB-SD 3.72Å; L117-M122 HydrophobicContact CD1-CE 4Å; L117-M122 HydrophobicContact CG-CE 4.46Å; L117-L189 HydrophobicContact CD1-CD2 4.39Å; L117-Q193 HydrophobicContact CD2-CG 4.36Å; L117-L195 HydrophobicContact CD2-CD1 4.14Å; L117-I221 HydrophobicContact CD1-CD1 3.46Å; L117-I221 VanDerWaalsContact CD1-CD1 3.46Å; L117-Y234 HydrophobicContact CD2-CE1 3.94Å; L117-Y234 HydrophobicContact CD2-CE2 4.45Å; L117-Y234 HydrophobicContact CG-CE1 4.46Å
118	H	85	Confident	91.6	Very high	146 Å²	146	41.9 Å²	41.9	68%	0.676	20%	0.204	S	C	*	.			trans	-93.5	113	179.1	-62.1	-55.6	0	0	0	111.5	T115 Q116	T115-H118 PolarHBondContact O-CE1 3.27Å; T115-H118 PolarHBondContact O-NE2 3.3Å; Q116-H118 PolarHBondContact O-N 3.06Å
119	H	89.4	Confident	91.7	Very high	36 Å²	36	40.3 Å²	40.3	17%	0.167	20%	0.199	C	C	.	.			trans	-149.9	141.3	171.4	-178.1	-91.3	0	0	0	109.9	N121 M122 L185 F188	H119-N121 PolarHBondContact ND1-N 3.12Å; H119-N121 PolarHBondContact O-N 3.02Å; H119-N121 VanDerWaalsContact O-N 3.11Å; H119-M122 HydrophobicContact CB-CB 4.4Å; H119-M122 HydrophobicContact CB-CG 3.96Å; H119-M122 HydrophobicContact CB-SD 4.13Å; H119-M122 PolarHBondContact O-N 2.87Å; H119-L185 HydrophobicContact CB-CD1 4.2Å; H119-L185 WeakPolarHBondContact ND1-CD1 3.33Å; H119-F188 HydrophobicContact CB-CD1 3.9Å; H119-F188 HydrophobicContact CB-CE1 3.89Å; H119-F188 HydrophobicContact CB-CG 4.41Å; H119-F188 HydrophobicContact CB-CZ 4.38Å; H119-F188 AromaticContact CD2-CD1 3.82Å; H119-F188 AromaticContact CD2-CD2 3.9Å; H119-F188 AromaticContact CD2-CG 3.48Å; H119-F188 VanDerWaalsContact CD2-CG 3.48Å; H119-F188 WeakPolarHBondContact CD2-CG 3.48Å; H119-F188 AromaticContact CG-CD1 3.95Å
120	P	86.5	Confident	92	Very high	31 Å²	31	40.7 Å²	40.7	20%	0.201	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.2	-177.2	13.5	-26.2	0	0	0	115	R214 N484 V487	P120-R214 PolarHBondContact O-NE 3.31Å; P120-R214 PolarHBondContact O-NH1 2.98Å; P120-R214 PolarHBondContact O-NH2 3.42Å; P120-N484 HydrophobicContact CB-CB 4.45Å; P120-V487 HydrophobicContact CB-CG2 4.46Å; P120-V487 HydrophobicContact CG-CB 4.37Å; P120-V487 HydrophobicContact CG-CG1 3.85Å
121	N	92	Very high	92	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.032	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	13.1	175.7	-57.3	-28.4	0	0	0	113.9	H119 Q181 L185 R214 L215	H119-N121 PolarHBondContact ND1-N 3.12Å; H119-N121 PolarHBondContact O-N 3.02Å; H119-N121 VanDerWaalsContact O-N 3.11Å; N121-Q181 HydrophobicContact CB-CB 4.43Å; N121-Q181 WeakPolarHBondContact ND2-CA 3.49Å; N121-Q181 PolarHBondContact ND2-O 3.39Å; N121-Q181 VanDerWaalsContact ND2-O 3.14Å; N121-L185 HydrophobicContact CB-CB 4.27Å; N121-R214 WeakPolarHBondContact O-CA 3.2Å; N121-L215 PolarHBondContact O-N 3.36Å; N121-L215 VanDerWaalsContact O-N 3.09Å
122	M	92.5	Very high	92	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.025	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-97.1	153.7	166.8	-70.8	-174.3	67.7	0	0	110.5	L114 L117 H119 H124 L185 F188 R214	L114-M122 HydrophobicContact CD2-CE 3.73Å; L117-M122 HydrophobicContact CB-CE 3.59Å; L117-M122 HydrophobicContact CB-SD 3.72Å; L117-M122 HydrophobicContact CD1-CE 4Å; L117-M122 HydrophobicContact CG-CE 4.46Å; H119-M122 HydrophobicContact CB-CB 4.4Å; H119-M122 HydrophobicContact CB-CG 3.96Å; H119-M122 HydrophobicContact CB-SD 4.13Å; H119-M122 PolarHBondContact O-N 2.87Å; M122-H124 PolarHBondContact O-N 3.26Å; M122-L185 HydrophobicContact CG-CD1 3.31Å; M122-L185 HydrophobicContact CG-CD2 4.22Å; M122-L185 HydrophobicContact CG-CG 4.41Å; M122-L185 HydrophobicContact SD-CD1 3.9Å; M122-F188 HydrophobicContact SD-CE1 4.47Å; M122-R214 PolarHBondContact O-NH1 3.04Å; M122-R214 VanDerWaalsContact O-NH1 3.1Å
123	L	94.9	Very high	91.9	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.243	C	C	.	.			trans	-61.2	121.4	178	-179.1	66.6	0	0	0	110.8	F84 L114 I125 F138 E141 I143 L206 L215	F84-L123 HydrophobicContact CZ-CD2 4.17Å; L114-L123 HydrophobicContact CD1-CD2 4.42Å; L123-I125 HydrophobicContact CD2-CD1 4.06Å; L123-I125 HydrophobicContact CG-CD1 4.24Å; L123-I125 PolarHBondContact O-N 2.96Å; L123-F138 HydrophobicContact CD2-CE2 4.28Å; L123-E141 HydrophobicContact CD1-CG 4.13Å; L123-I143 HydrophobicContact CD1-CD1 3.69Å; L123-I143 HydrophobicContact CD1-CG1 4.17Å; L123-L206 HydrophobicContact CD1-CD1 4.04Å; L123-L206 HydrophobicContact CD2-CD1 3.93Å; L123-L215 WeakPolarHBondContact CB-O 3.35Å; L123-L215 PolarHBondContact N-O 3.02Å
124	H	92.5	Very high	91.8	Very high	101 Å²	101	51.3 Å²	51.3	47%	0.468	27%	0.27	S	S	.	.			trans	-81.9	115.2	178.2	-173.8	60.5	0	0	0	111.4	M122 S140 E141	M122-H124 PolarHBondContact O-N 3.26Å; H124-S140 CarbonylContact O-C 3.58Å; H124-S140 WeakPolarHBondContact O-CA 3.47Å; H124-S140 VanDerWaalsContact O-CB 3.26Å; H124-S140 WeakPolarHBondContact O-CB 3.49Å; H124-E141 HydrophobicContact CB-CB 4.43Å; H124-E141 PolarHBondContact N-OE1 3.31Å; H124-E141 PolarHBondContact O-N 3.31Å
125	I	95.1	Very high	91.9	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.108	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123	178.5	-54.7	-58.4	0	0	0	109.9	V111 L114 L123 H127 F138	V111-I125 HydrophobicContact CG1-CD1 4.32Å; V111-I125 HydrophobicContact CG1-CG1 4.41Å; V111-I125 HydrophobicContact CG1-CG2 4.31Å; L114-I125 HydrophobicContact CB-CD1 4.31Å; L114-I125 HydrophobicContact CB-CG1 4Å; L114-I125 HydrophobicContact CD1-CD1 4.37Å; L123-I125 HydrophobicContact CD2-CD1 4.06Å; L123-I125 HydrophobicContact CG-CD1 4.24Å; L123-I125 PolarHBondContact O-N 2.96Å; I125-H127 WeakPolarHBondContact CG2-O 3.4Å; I125-F138 HydrophobicContact CD1-CD2 3.83Å; I125-F138 HydrophobicContact CD1-CE2 3.64Å
126	L	93.9	Very high	92.1	Very high	45 Å²	45	48 Å²	48	24%	0.236	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-30.7	179.1	-65.2	-179.7	0	0	0	112.9	L79 C81 A139 S140	L79-L126 HydrophobicContact CD2-CD1 4.01Å; C81-L126 HydrophobicContact CB-CD1 3.78Å; L126-A139 PolarHBondContact N-O 3.42Å; L126-S140 WeakPolarHBondContact CD1-O 3.42Å
127	H	95	Very high	92.4	Very high	30 Å²	30	45 Å²	45	14%	0.139	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.7	178.1	-168.9	-72.5	0	0	0	109.3	Y51 F52 I125 E130 A139	Y51-H127 AromaticContact CD2-NE2 3.46Å; Y51-H127 WeakPolarHBondContact CD2-NE2 3.5Å; Y51-H127 AromaticContact CE2-NE2 3.49Å; Y51-H127 WeakPolarHBondContact CE2-NE2 3.49Å; F52-H127 HydrophobicContact CE2-CB 3.78Å; F52-H127 AromaticContact CE2-CD2 3.95Å; F52-H127 AromaticContact CE2-CG 3.92Å; F52-H127 HydrophobicContact CZ-CB 3.8Å; I125-H127 WeakPolarHBondContact CG2-O 3.4Å; H127-E130 IonicContact CE1-OE1 2.71Å; H127-E130 PolarHBondContact CE1-OE1 2.86Å; H127-E130 VanDerWaalsContact CE1-OE1 3.31Å; H127-E130 IonicContact NE2-OE1 3.79Å; H127-A139 HydrophobicContact CB-CB 3.82Å; H127-A139 PolarHBondContact N-O 3.45Å; H127-A139 VanDerWaalsContact N-O 3.12Å; H127-A139 PolarHBondContact O-N 2.81Å
128	P	93.8	Very high	92.8	Very high	83 Å²	83	45 Å²	45	54%	0.539	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	179.8	179.6	30.7	-36.9	0	0	0	111.8	E130	P128-E130 PolarHBondContact O-N 2.93Å
129	I	94.9	Very high	93.3	Very high	44 Å²	44	38 Å²	38	23%	0.226	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.5	-178.1	-70.8	177.6	0	0	0	111.9	K108 V111 E131 L136 S137 F138	K108-I129 HydrophobicContact CB-CD1 4.21Å; K108-I129 HydrophobicContact CG-CD1 4Å; V111-I129 HydrophobicContact CB-CD1 3.6Å; V111-I129 HydrophobicContact CB-CG1 3.78Å; V111-I129 HydrophobicContact CG1-CD1 4.24Å; V111-I129 HydrophobicContact CG1-CG1 3.86Å; V111-I129 HydrophobicContact CG2-CD1 3.7Å; V111-I129 HydrophobicContact CG2-CG1 3.87Å; I129-E131 HydrophobicContact CG2-CB 4.41Å; I129-L136 HydrophobicContact CD1-CD2 4.49Å; I129-L136 HydrophobicContact CG2-CD1 3.26Å; I129-L136 HydrophobicContact CG2-CG 3.93Å; I129-S137 CarbonylContact C-O 3.35Å; I129-S137 WeakPolarHBondContact CA-O 3.25Å; I129-F138 HydrophobicContact CG1-CB 4.3Å
130	E	95	Very high	93.7	Very high	46 Å²	46	36.3 Å²	36.3	22%	0.215	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.6	161.8	-70.4	-67.8	173.6	0	0	109.2	N46 P47 I48 H127 P128 S137	N46-E130 PolarHBondContact ND2-O 3.2Å; P47-E130 HydrophobicContact CB-CB 4.45Å; P47-E130 HydrophobicContact CB-CG 4.39Å; I48-E130 HydrophobicContact CB-CB 4.36Å; I48-E130 HydrophobicContact CB-CG 4.31Å; H127-E130 IonicContact CE1-OE1 2.71Å; H127-E130 PolarHBondContact CE1-OE1 2.86Å; H127-E130 VanDerWaalsContact CE1-OE1 3.31Å; H127-E130 IonicContact NE2-OE1 3.79Å; P128-E130 PolarHBondContact O-N 2.93Å; E130-S137 PolarHBondContact N-O 2.92Å; E130-S137 PolarHBondContact O-N 3.4Å; E130-S137 PolarHBondContact O-OG 2.97Å
131	E	93.5	Very high	94	Very high	81 Å²	81	36.3 Å²	36.3	38%	0.379	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.9	-176.1	-176.9	178.8	-152.7	0	0	111.7	K88 K108 I129 L136	K88-E131 IonicContact NZ-OE1 2.53Å; K88-E131 PolarHBondContact NZ-OE1 2.96Å; K108-E131 WeakPolarHBondContact CE-OE1 3.45Å; K108-E131 WeakPolarHBondContact CE-OE2 3.46Å; K108-E131 IonicContact NZ-OE1 2.67Å; K108-E131 PolarHBondContact NZ-OE1 3.46Å; K108-E131 IonicContact NZ-OE2 3.5Å; K108-E131 PolarHBondContact NZ-OE2 2.91Å; I129-E131 HydrophobicContact CG2-CB 4.41Å; E131-L136 HydrophobicContact CB-CD1 3.82Å; E131-L136 HydrophobicContact CG-CD1 3.9Å
132	T	92.8	Very high	94.2	Very high	37 Å²	37	40.5 Å²	40.5	23%	0.227	21%	0.209	C	C	.	.			trans	-119.3	178.6	165.4	66.9	0	0	0	0	109.9	P47 K88 E134 T135	P47-T132 VanDerWaalsContact CD-CG2 3.46Å; P47-T132 HydrophobicContact CG-CG2 4.28Å; K88-T132 PolarHBondContact NZ-O 3.42Å; T132-E134 PolarHBondContact O-N 3.28Å; T132-E134 PolarHBondContact OG1-N 3.27Å; T132-T135 PolarHBondContact N-O 3.38Å; T132-T135 PolarHBondContact OG1-N 2.87Å; T132-T135 PolarHBondContact OG1-O 3.01Å; T132-T135 PolarHBondContact OG1-OG1 3.5Å
133	S	88.9	Confident	94.4	Very high	100 Å²	100	40.3 Å²	40.3	70%	0.699	21%	0.208	S	C	*	.	S	Bend	trans	-58.7	-28.1	172.8	47.3	0	0	0	0	112.9	K88	K88-S133 WeakPolarHBondContact CD-O 3.23Å
134	E	90.1	Very high	94.3	Very high	125 Å²	125	43.1 Å²	43.1	58%	0.584	22%	0.22	S	C	*	.	S	Bend	trans	-111.2	-27.8	-171.8	-64.2	-179.9	-177.7	0	0	113.7	K88 T132	K88-E134 VanDerWaalsContact CB-O 3.25Å; K88-E134 WeakPolarHBondContact CB-O 3.44Å; K88-E134 WeakPolarHBondContact CG-O 3.43Å; K88-E134 PolarHBondContact N-O 2.94Å; T132-E134 PolarHBondContact O-N 3.28Å; T132-E134 PolarHBondContact OG1-N 3.27Å
135	T	94	Very high	94.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.7	-171.7	63	0	0	0	0	113	P44 N46 L85 F86 T132	P44-T135 HydrophobicContact CB-CG2 4Å; P44-T135 HydrophobicContact CG-CG2 3.86Å; N46-T135 PolarHBondContact ND2-OG1 2.87Å; L85-T135 HydrophobicContact CD1-CG2 4.13Å; F86-T135 CarbonylContact O-C 3.39Å; F86-T135 WeakPolarHBondContact O-CA 3.46Å; T132-T135 PolarHBondContact N-O 3.38Å; T132-T135 PolarHBondContact OG1-N 2.87Å; T132-T135 PolarHBondContact OG1-O 3.01Å; T132-T135 PolarHBondContact OG1-OG1 3.5Å
136	L	94.8	Very high	94.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.9	169	-164.9	72.1	0	0	0	107.4	W67 F86 L107 K108 I129 E131	W67-L136 HydrophobicContact CH2-CB 4.3Å; W67-L136 HydrophobicContact CH2-CD2 3.61Å; W67-L136 HydrophobicContact CH2-CG 3.99Å; W67-L136 HydrophobicContact CZ2-CD2 4.26Å; W67-L136 HydrophobicContact CZ3-CB 4.46Å; F86-L136 HydrophobicContact CB-CB 4.23Å; F86-L136 HydrophobicContact CD1-CB 4.02Å; F86-L136 HydrophobicContact CD1-CD2 4.46Å; F86-L136 PolarHBondContact N-O 3.32Å; F86-L136 PolarHBondContact O-N 3.41Å; L107-L136 HydrophobicContact CB-CD2 3.82Å; L107-L136 HydrophobicContact CD1-CD2 4.42Å; K108-L136 HydrophobicContact CG-CD1 4.33Å; K108-L136 HydrophobicContact CG-CD2 4.41Å; I129-L136 HydrophobicContact CD1-CD2 4.49Å; I129-L136 HydrophobicContact CG2-CD1 3.26Å; I129-L136 HydrophobicContact CG2-CG 3.93Å; E131-L136 HydrophobicContact CB-CD1 3.82Å; E131-L136 HydrophobicContact CG-CD1 3.9Å
137	S	96.2	Very high	94.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.1	178.3	60.4	0	0	0	0	113.8	N46 I48 F84 I129 E130	N46-S137 PolarHBondContact ND2-OG 3.32Å; N46-S137 PolarHBondContact OD1-OG 2.77Å; I48-S137 WeakPolarHBondContact CG2-OG 3.48Å; F84-S137 WeakPolarHBondContact O-CA 3.44Å; F84-S137 WeakPolarHBondContact O-CB 3.09Å; I129-S137 CarbonylContact C-O 3.35Å; I129-S137 WeakPolarHBondContact CA-O 3.25Å; E130-S137 PolarHBondContact N-O 2.92Å; E130-S137 PolarHBondContact O-N 3.4Å; E130-S137 PolarHBondContact O-OG 2.97Å
138	F	97.2	Very high	94.1	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	170.3	173.6	68.9	-88.5	0	0	0	109.7	W67 V83 F84 V111 L123 I125 I129	W67-F138 HydrophobicContact CD2-CE1 4.17Å; W67-F138 AromaticContact CE2-CE1 3.98Å; W67-F138 HydrophobicContact CE3-CE1 4.12Å; W67-F138 AromaticContact CH2-CD1 3.86Å; W67-F138 HydrophobicContact CH2-CD1 3.86Å; W67-F138 AromaticContact CH2-CE1 3.74Å; W67-F138 HydrophobicContact CH2-CE1 3.74Å; W67-F138 HydrophobicContact CZ2-CD1 4.31Å; W67-F138 AromaticContact CZ2-CE1 3.78Å; W67-F138 HydrophobicContact CZ2-CE1 3.78Å; W67-F138 HydrophobicContact CZ3-CD1 4.04Å; W67-F138 AromaticContact CZ3-CE1 3.92Å; W67-F138 HydrophobicContact CZ3-CE1 3.92Å; V83-F138 WeakPolarHBondContact CA-O 3.43Å; F84-F138 HydrophobicContact CB-CD1 3.75Å; F84-F138 HydrophobicContact CB-CD2 4.37Å; F84-F138 HydrophobicContact CB-CE1 3.35Å; F84-F138 HydrophobicContact CB-CE2 4.02Å; F84-F138 HydrophobicContact CB-CG 4.25Å; F84-F138 HydrophobicContact CB-CZ 3.5Å; F84-F138 HydrophobicContact CD1-CE1 4.05Å; F84-F138 HydrophobicContact CD1-CE2 4.18Å; F84-F138 AromaticContact CD1-CZ 3.5Å; F84-F138 HydrophobicContact CD1-CZ 3.5Å; F84-F138 VanDerWaalsContact CD1-CZ 3.5Å; F84-F138 HydrophobicContact CD2-CD2 4.31Å; F84-F138 AromaticContact CD2-CE2 3.69Å; F84-F138 HydrophobicContact CD2-CE2 3.69Å; F84-F138 AromaticContact CD2-CZ 3.83Å; F84-F138 HydrophobicContact CD2-CZ 3.83Å; F84-F138 HydrophobicContact CE1-CZ 4.14Å; F84-F138 HydrophobicContact CE2-CE2 4.25Å; F84-F138 HydrophobicContact CE2-CZ 4.48Å; F84-F138 HydrophobicContact CG-CD1 4.46Å; F84-F138 HydrophobicContact CG-CD2 4.43Å; F84-F138 AromaticContact CG-CE1 3.75Å; F84-F138 HydrophobicContact CG-CE1 3.75Å; F84-F138 AromaticContact CG-CE2 3.7Å; F84-F138 HydrophobicContact CG-CE2 3.7Å; F84-F138 AromaticContact CG-CZ 3.32Å; F84-F138 HydrophobicContact CG-CZ 3.32Å; F84-F138 PolarHBondContact N-O 2.82Å; F84-F138 PolarHBondContact O-N 3.31Å; V111-F138 HydrophobicContact CG1-CB 4.33Å; V111-F138 HydrophobicContact CG1-CD2 4.31Å; V111-F138 HydrophobicContact CG1-CG 4.14Å; V111-F138 HydrophobicContact CG2-CD1 3.59Å; V111-F138 HydrophobicContact CG2-CE1 3.63Å; V111-F138 HydrophobicContact CG2-CG 4.06Å; V111-F138 HydrophobicContact CG2-CZ 4.15Å; L123-F138 HydrophobicContact CD2-CE2 4.28Å; I125-F138 HydrophobicContact CD1-CD2 3.83Å; I125-F138 HydrophobicContact CD1-CE2 3.64Å; I129-F138 HydrophobicContact CG1-CB 4.3Å
139	A	97.1	Very high	93.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.5	177.6	0	0	0	0	0	112	I48 F52 S82 V83 L126 H127	I48-A139 HydrophobicContact CD1-CB 4.49Å; F52-A139 HydrophobicContact CD1-CB 4.49Å; F52-A139 HydrophobicContact CD2-CB 4.35Å; F52-A139 HydrophobicContact CE1-CB 3.86Å; F52-A139 HydrophobicContact CE2-CB 3.72Å; F52-A139 HydrophobicContact CZ-CB 3.44Å; F52-A139 VanDerWaalsContact CZ-CB 3.44Å; S82-A139 CarbonylContact O-C 3.11Å; S82-A139 WeakPolarHBondContact O-CA 3.29Å; V83-A139 HydrophobicContact CG2-CB 4.01Å; L126-A139 PolarHBondContact N-O 3.42Å; H127-A139 HydrophobicContact CB-CB 3.82Å; H127-A139 PolarHBondContact N-O 3.45Å; H127-A139 VanDerWaalsContact N-O 3.12Å; H127-A139 PolarHBondContact O-N 2.81Å
140	S	96.5	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	179.5	177.2	74.3	0	0	0	0	111.6	C81 S82 F84 H124 L126	C81-S140 VanDerWaalsContact CB-O 3.3Å; C81-S140 WeakPolarHBondContact CB-O 3.47Å; S82-S140 PolarHBondContact N-O 2.96Å; S82-S140 VanDerWaalsContact N-O 3.11Å; S82-S140 PolarHBondContact O-N 3.44Å; F84-S140 WeakPolarHBondContact CE2-OG 3.39Å; H124-S140 CarbonylContact O-C 3.58Å; H124-S140 WeakPolarHBondContact O-CA 3.47Å; H124-S140 VanDerWaalsContact O-CB 3.26Å; H124-S140 WeakPolarHBondContact O-CB 3.49Å; L126-S140 WeakPolarHBondContact CD1-O 3.42Å
141	E	94.3	Very high	93.1	Very high	31 Å²	31	26.6 Å²	26.6	15%	0.145	13%	0.134	C	C	.	.	S	Bend	trans	-50	161.8	162.6	72.4	-170.4	129.4	0	0	112.5	L123 H124 I143 T208 R214	L123-E141 HydrophobicContact CD1-CG 4.13Å; H124-E141 HydrophobicContact CB-CB 4.43Å; H124-E141 PolarHBondContact N-OE1 3.31Å; H124-E141 PolarHBondContact O-N 3.31Å; E141-I143 HydrophobicContact CG-CD1 4.08Å; E141-I143 PolarHBondContact O-N 3.16Å; E141-I143 VanDerWaalsContact O-N 3.16Å; E141-T208 HydrophobicContact CG-CG2 4.36Å; E141-R214 IonicContact OE1-CZ 3.78Å; E141-R214 IonicContact OE1-NE 2.77Å; E141-R214 IonicContact OE1-NH1 3.9Å; E141-R214 PolarHBondContact OE1-NH1 2.92Å; E141-R214 IonicContact OE2-CZ 2.63Å; E141-R214 VanDerWaalsContact OE2-CZ 3.23Å; E141-R214 IonicContact OE2-NE 3.83Å; E141-R214 IonicContact OE2-NH1 2.84Å; E141-R214 PolarHBondContact OE2-NH1 3.33Å; E141-R214 IonicContact OE2-NH2 2.73Å; E141-R214 PolarHBondContact OE2-NH2 3.21Å
142	R	95.7	Very high	92.4	Very high	94 Å²	94	23.5 Å²	23.5	36%	0.355	12%	0.124	S	C	.	.			trans	-70.8	111.3	-174	-152.7	-165.1	-176.4	173.5	1.1	112.2	D71 P80 T208 H209	D71-R142 IonicContact OD1-CZ 3.86Å; D71-R142 IonicContact OD1-NE 3.57Å; D71-R142 PolarHBondContact OD1-NE 3.36Å; D71-R142 IonicContact OD1-NH2 3.82Å; D71-R142 PolarHBondContact OD1-NH2 3.46Å; D71-R142 IonicContact OD2-NH2 3.62Å; P80-R142 HydrophobicContact CB-CG 4.38Å; R142-T208 WeakPolarHBondContact O-CA 3.47Å; R142-H209 VanDerWaalsContact CD-CD2 3.41Å; R142-H209 WeakPolarHBondContact CD-CD2 3.5Å; R142-H209 PolarHBondContact O-N 3.01Å
143	I	95.9	Very high	91.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	142.7	177.8	-59	-50.7	0	0	0	110.2	I58 V69 S82 F84 L123 E141 L206 T208 H209	I58-I143 WeakPolarHBondContact CD1-O 3.1Å; V69-I143 HydrophobicContact CG1-CB 4.46Å; S82-I143 PolarHBondContact OG-N 2.9Å; F84-I143 HydrophobicContact CE2-CG1 4.42Å; F84-I143 HydrophobicContact CZ-CG1 4.13Å; L123-I143 HydrophobicContact CD1-CD1 3.69Å; L123-I143 HydrophobicContact CD1-CG1 4.17Å; E141-I143 HydrophobicContact CG-CD1 4.08Å; E141-I143 PolarHBondContact O-N 3.16Å; E141-I143 VanDerWaalsContact O-N 3.16Å; I143-L206 HydrophobicContact CD1-CB 4.22Å; I143-L206 HydrophobicContact CD1-CD1 4.42Å; I143-L206 HydrophobicContact CG1-CD1 4.3Å; I143-L206 HydrophobicContact CG2-CB 4.23Å; I143-T208 HydrophobicContact CD1-CG2 4.04Å; I143-H209 PolarHBondContact O-CD2 3.47Å; I143-H209 VanDerWaalsContact O-CD2 3.26Å; I143-H209 PolarHBondContact O-NE2 2.79Å
144	F	93.6	Very high	91.7	Very high	62 Å²	62	19.8 Å²	19.8	27%	0.272	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-55.7	170.4	172	-108	0	0	0	110.9	I150 F168 I207 H209	F144-I150 HydrophobicContact CE1-CD1 4.47Å; F144-F168 AromaticContact CE1-CD2 3.73Å; F144-F168 HydrophobicContact CE1-CD2 3.73Å; F144-F168 AromaticContact CE1-CE2 3.78Å; F144-F168 HydrophobicContact CE1-CE2 3.78Å; F144-F168 HydrophobicContact CE1-CG 4.35Å; F144-F168 HydrophobicContact CE1-CZ 4.45Å; F144-F168 AromaticContact CZ-CD2 3.9Å; F144-F168 HydrophobicContact CZ-CD2 3.9Å; F144-F168 HydrophobicContact CZ-CE2 4.24Å; F144-I207 WeakPolarHBondContact CA-O 3.07Å; F144-I207 WeakPolarHBondContact CB-O 3.39Å; F144-I207 PolarHBondContact N-O 2.69Å; F144-H209 AromaticContact CD2-CE1 3.91Å
145	S	93.2	Very high	91.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	164.6	-178.3	-178.5	0	0	0	0	111.9	I207	S145-I207 PolarHBondContact N-O 3.16Å; S145-I207 PolarHBondContact O-N 3.2Å
146	S	94.5	Very high	90.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	154.9	161	74	0	0	0	0	111.2	S60 A148 N149 I150 I205	S60-S146 VanDerWaalsContact O-CB 3.3Å; S60-S146 WeakPolarHBondContact O-CB 3.36Å; S60-S146 PolarHBondContact O-OG 3.42Å; S146-A148 VanDerWaalsContact C-N 3.28Å; S146-A148 PolarHBondContact O-N 3.14Å; S146-N149 PolarHBondContact O-N 3.34Å; S146-N149 PolarHBondContact OG-N 3.17Å; S146-N149 PolarHBondContact OG-ND2 3.39Å; S146-N149 PolarHBondContact OG-OD1 2.69Å; S146-I150 PolarHBondContact O-N 3.18Å; S146-I205 WeakPolarHBondContact CA-O 3Å
147	L	92.8	Very high	90.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.4	-35.7	174.8	-178.6	61.2	0	0	0	111	N149 I150 L151 F170 P202 I205 I207 W213 I324 L328	L147-N149 VanDerWaalsContact C-N 3.32Å; L147-N149 PolarHBondContact O-N 2.91Å; L147-I150 PolarHBondContact O-N 3.14Å; L147-L151 HydrophobicContact CD1-CD1 4.11Å; L147-L151 HydrophobicContact CD1-CD2 4.5Å; L147-L151 HydrophobicContact CD1-CG 4.01Å; L147-L151 HydrophobicContact CD2-CD1 4.38Å; L147-L151 HydrophobicContact CG-CD1 3.84Å; L147-L151 HydrophobicContact CG-CG 4.18Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 3.13Å; L147-F170 HydrophobicContact CD1-CE2 3.97Å; L147-F170 HydrophobicContact CD1-CZ 4.01Å; L147-P202 HydrophobicContact CB-CB 4.33Å; L147-P202 HydrophobicContact CD2-CB 4.41Å; L147-P202 HydrophobicContact CG-CB 4.18Å; L147-P202 PolarHBondContact N-O 3.44Å; L147-I205 HydrophobicContact CB-CB 4.02Å; L147-I205 HydrophobicContact CB-CG2 4.05Å; L147-I205 HydrophobicContact CD2-CB 4.27Å; L147-I205 HydrophobicContact CD2-CD1 3.97Å; L147-I205 HydrophobicContact CD2-CG2 4.18Å; L147-I205 PolarHBondContact N-O 3.5Å; L147-I207 HydrophobicContact CD1-CD1 4.49Å; L147-W213 HydrophobicContact CD1-CH2 4.2Å; L147-W213 HydrophobicContact CD1-CZ2 4.49Å; L147-W213 HydrophobicContact CD2-CH2 4.16Å; L147-W213 HydrophobicContact CD2-CZ3 3.88Å; L147-I324 HydrophobicContact CD2-CG2 3.96Å; L147-L328 HydrophobicContact CD1-CD2 3.77Å; L147-L328 HydrophobicContact CD2-CD2 4.34Å
148	A	90.7	Very high	89.8	Confident	4 Å²	4	25.9 Å²	25.9	3%	0.033	12%	0.124	C	C	.	.	H	α-helix	trans	-56.5	-43.8	174.3	0	0	0	0	0	112.5	L65 S146 L151 G152 N153 P202 S338	L65-A148 HydrophobicContact CD2-CB 3.91Å; S146-A148 VanDerWaalsContact C-N 3.28Å; S146-A148 PolarHBondContact O-N 3.14Å; A148-L151 PolarHBondContact O-N 3.37Å; A148-G152 PolarHBondContact O-N 3.32Å; A148-G152 VanDerWaalsContact O-N 3.12Å; A148-N153 HydrophobicContact CB-CB 4.4Å; A148-N153 PolarHBondContact O-N 2.97Å; A148-P202 HydrophobicContact CB-CB 3.91Å; A148-P202 PolarHBondContact N-O 3.09Å; A148-S338 PolarHBondContact O-OG 3.4Å
149	N	91.4	Very high	88.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-42.2	178.9	-60.3	154.2	0	0	0	111.9	S60 S146 L147 L151 G152 N153 H154 L157 L165	S60-N149 PolarHBondContact N-OD1 3.09Å; S60-N149 PolarHBondContact O-ND2 3.28Å; S60-N149 PolarHBondContact O-OD1 3.26Å; S60-N149 PolarHBondContact OG-ND2 3.44Å; S146-N149 PolarHBondContact O-N 3.34Å; S146-N149 PolarHBondContact OG-N 3.17Å; S146-N149 PolarHBondContact OG-ND2 3.39Å; S146-N149 PolarHBondContact OG-OD1 2.69Å; L147-N149 VanDerWaalsContact C-N 3.32Å; L147-N149 PolarHBondContact O-N 2.91Å; N149-L151 VanDerWaalsContact C-N 3.33Å; N149-L151 PolarHBondContact O-N 3.4Å; N149-G152 PolarHBondContact O-N 2.99Å; N149-G152 VanDerWaalsContact O-N 3.08Å; N149-N153 WeakPolarHBondContact CA-O 3.35Å; N149-N153 PolarHBondContact ND2-O 3.03Å; N149-H154 PolarHBondContact O-CE1 3.47Å; N149-H154 PolarHBondContact O-ND1 3.23Å; N149-L157 HydrophobicContact CB-CD1 4.07Å; N149-L165 HydrophobicContact CB-CD1 3.89Å
150	I	87.8	Confident	88	Confident	14 Å²	14	35.9 Å²	35.9	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-40.8	177.3	-69.1	165	0	0	0	111.1	F144 S146 L147 G152 L165 F168 F170 I207	F144-I150 HydrophobicContact CE1-CD1 4.47Å; S146-I150 PolarHBondContact O-N 3.18Å; L147-I150 PolarHBondContact O-N 3.14Å; I150-G152 PolarHBondContact O-N 2.99Å; I150-L165 HydrophobicContact CG1-CD2 4.39Å; I150-F168 HydrophobicContact CD1-CD1 4.18Å; I150-F168 HydrophobicContact CD1-CE1 3.97Å; I150-F168 HydrophobicContact CG1-CD1 4.23Å; I150-F168 HydrophobicContact CG2-CD1 3.67Å; I150-F168 HydrophobicContact CG2-CE1 4.05Å; I150-F170 HydrophobicContact CD1-CZ 3.96Å; I150-F170 HydrophobicContact CG2-CD2 4.44Å; I150-F170 HydrophobicContact CG2-CE2 3.61Å; I150-F170 HydrophobicContact CG2-CZ 4.04Å; I150-I207 HydrophobicContact CD1-CD1 3.61Å
151	L	83.8	Confident	87.2	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-4.4	176.4	-62.2	176.1	0	0	0	113.1	L147 A148 N149 P202 A327 L328 N331 G337 S338	L147-L151 HydrophobicContact CD1-CD1 4.11Å; L147-L151 HydrophobicContact CD1-CD2 4.5Å; L147-L151 HydrophobicContact CD1-CG 4.01Å; L147-L151 HydrophobicContact CD2-CD1 4.38Å; L147-L151 HydrophobicContact CG-CD1 3.84Å; L147-L151 HydrophobicContact CG-CG 4.18Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 3.13Å; A148-L151 PolarHBondContact O-N 3.37Å; N149-L151 VanDerWaalsContact C-N 3.33Å; N149-L151 PolarHBondContact O-N 3.4Å; L151-P202 HydrophobicContact CD1-CB 4.06Å; L151-P202 HydrophobicContact CD1-CG 4.03Å; L151-A327 HydrophobicContact CD1-CB 4.1Å; L151-L328 HydrophobicContact CD2-CD2 4.39Å; L151-N331 HydrophobicContact CD2-CB 4.04Å; L151-G337 CarbonylContact O-C 3.56Å; L151-G337 PolarHBondContact O-N 3.41Å; L151-S338 PolarHBondContact O-N 3.45Å
152	G	79.5	Confident	86.5	Confident	16 Å²	16	35.6 Å²	35.6	17%	0.165	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.1	9.7	168.4	0	0	0	0	0	118.4	A148 N149 I150 H154 A335	A148-G152 PolarHBondContact O-N 3.32Å; A148-G152 VanDerWaalsContact O-N 3.12Å; N149-G152 PolarHBondContact O-N 2.99Å; N149-G152 VanDerWaalsContact O-N 3.08Å; I150-G152 PolarHBondContact O-N 2.99Å; G152-H154 PolarHBondContact O-N 3.02Å; G152-A335 WeakPolarHBondContact CA-O 3.44Å
153	N	82.2	Confident	85.5	Confident	25 Å²	25	36.6 Å²	36.6	13%	0.134	18%	0.178	C	C	.	.			trans	-90.7	99.2	169.8	-172.5	-7.4	0	0	0	109.4	L65 A148 N149 T155 S338 I339	L65-N153 HydrophobicContact CD1-CB 3.99Å; L65-N153 WeakPolarHBondContact CD1-ND2 3.43Å; L65-N153 WeakPolarHBondContact CD1-O 3.39Å; L65-N153 VanDerWaalsContact CD1-OD1 3.29Å; L65-N153 WeakPolarHBondContact CD1-OD1 3.43Å; A148-N153 HydrophobicContact CB-CB 4.4Å; A148-N153 PolarHBondContact O-N 2.97Å; N149-N153 WeakPolarHBondContact CA-O 3.35Å; N149-N153 PolarHBondContact ND2-O 3.03Å; N153-T155 WeakPolarHBondContact OD1-CB 3.12Å; N153-T155 PolarHBondContact OD1-N 3.48Å; N153-T155 PolarHBondContact OD1-OG1 3.17Å; N153-S338 WeakPolarHBondContact CB-OG 3.31Å; N153-S338 PolarHBondContact N-OG 2.95Å; N153-I339 WeakPolarHBondContact ND2-CD1 3.29Å
154	H	85	Confident	84.7	Confident	33 Å²	33	41.4 Å²	41.4	15%	0.153	20%	0.203	C	C	.	.			trans	-98.6	21.4	-178.5	-56.3	-54.5	0	0	0	113.9	N149 G152 R156 L157 I162 A335	N149-H154 PolarHBondContact O-CE1 3.47Å; N149-H154 PolarHBondContact O-ND1 3.23Å; G152-H154 PolarHBondContact O-N 3.02Å; H154-R156 PolarHBondContact O-N 3.3Å; H154-L157 HydrophobicContact CB-CB 4.36Å; H154-L157 HydrophobicContact CB-CD1 4.04Å; H154-L157 WeakPolarHBondContact O-CB 3.42Å; H154-L157 PolarHBondContact O-N 3.45Å; H154-I162 HydrophobicContact CB-CD1 3.62Å; H154-I162 HydrophobicContact CB-CG1 3.79Å; H154-A335 WeakPolarHBondContact CE1-CB 3.44Å; H154-A335 WeakPolarHBondContact NE2-CB 3.48Å; H154-A335 PolarHBondContact NE2-O 3.25Å
155	T	83.5	Confident	84.1	Confident	67 Å²	67	38.8 Å²	38.8	41%	0.411	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	128.4	179.4	-53.1	0	0	0	0	109.7	S60 N153 L157	S60-T155 PolarHBondContact OG-O 3.2Å; N153-T155 WeakPolarHBondContact OD1-CB 3.12Å; N153-T155 PolarHBondContact OD1-N 3.48Å; N153-T155 PolarHBondContact OD1-OG1 3.17Å; T155-L157 VanDerWaalsContact C-N 3.32Å; T155-L157 PolarHBondContact O-N 3.25Å
156	R	83.5	Confident	83.2	Confident	74 Å²	74	42.1 Å²	42.1	28%	0.279	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	26.4	-176	-58	177.6	-159.6	75.6	-0.5	115.5	Q57 E64 L65 H154	Q57-R156 PolarHBondContact NE2-O 3.2Å; E64-R156 PolarHBondContact O-NH1 3.08Å; E64-R156 PolarHBondContact O-NH2 3.29Å; L65-R156 WeakPolarHBondContact O-CD 3.42Å; L65-R156 PolarHBondContact O-NH1 3.23Å; H154-R156 PolarHBondContact O-N 3.3Å
157	L	85.5	Confident	82.2	Confident	22 Å²	22	47.5 Å²	47.5	12%	0.115	24%	0.24	C	C	.	.			trans	-101	149.9	167.3	-64.7	-177.9	0	0	0	111.8	N149 H154 T155 I161 I162 L165	N149-L157 HydrophobicContact CB-CD1 4.07Å; H154-L157 HydrophobicContact CB-CB 4.36Å; H154-L157 HydrophobicContact CB-CD1 4.04Å; H154-L157 WeakPolarHBondContact O-CB 3.42Å; H154-L157 PolarHBondContact O-N 3.45Å; T155-L157 VanDerWaalsContact C-N 3.32Å; T155-L157 PolarHBondContact O-N 3.25Å; L157-I161 HydrophobicContact CD2-CD1 4.49Å; L157-I162 HydrophobicContact CB-CD1 4.43Å; L157-I162 HydrophobicContact CB-CG1 4.11Å; L157-L165 HydrophobicContact CD1-CD1 3.79Å
158	Q	82.8	Confident	81.6	Confident	93 Å²	93	49.5 Å²	49.5	44%	0.435	25%	0.249	S	C	.	.			trans	-78.4	146.8	170.9	-65.8	172.2	-26.8	0	0	110.4	F160 I161 I162	Q158-F160 VanDerWaalsContact C-N 3.34Å; Q158-F160 HydrophobicContact CB-CD1 3.87Å; Q158-F160 HydrophobicContact CB-CE1 3.53Å; Q158-F160 HydrophobicContact CB-CZ 4.23Å; Q158-F160 HydrophobicContact CG-CE1 4.24Å; Q158-F160 PolarHBondContact O-N 3.23Å; Q158-I161 HydrophobicContact CB-CD1 4.02Å; Q158-I161 HydrophobicContact CB-CG1 4.35Å; Q158-I161 WeakPolarHBondContact O-CB 3.24Å; Q158-I161 PolarHBondContact O-N 3.35Å; Q158-I162 PolarHBondContact O-N 3.16Å
159	Q	77.9	Confident	81	Confident	121 Å²	121	54.5 Å²	54.5	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-55.9	-41.5	-171.5	-173.2	62.9	24.4	0	0	114	I161 I162 E163	Q159-I161 PolarHBondContact O-N 3.36Å; Q159-I162 WeakPolarHBondContact O-CB 3.41Å; Q159-I162 PolarHBondContact O-N 2.93Å; Q159-I162 VanDerWaalsContact O-N 3.11Å; Q159-E163 PolarHBondContact O-N 2.97Å
160	F	77.3	Confident	80.6	Confident	91 Å²	91	55.5 Å²	55.5	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-26	-179.9	71.7	-96	0	0	0	113.3	K56 Q158 N164	K56-F160 HydrophobicContact CD-CE2 4.34Å; Q158-F160 VanDerWaalsContact C-N 3.34Å; Q158-F160 HydrophobicContact CB-CD1 3.87Å; Q158-F160 HydrophobicContact CB-CE1 3.53Å; Q158-F160 HydrophobicContact CB-CZ 4.23Å; Q158-F160 HydrophobicContact CG-CE1 4.24Å; Q158-F160 PolarHBondContact O-N 3.23Å; F160-N164 PolarHBondContact O-ND2 3.42Å; F160-N164 VanDerWaalsContact O-ND2 3.17Å
161	I	80	Confident	80.5	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.046	29%	0.29	C	S	.	.	H	α-helix	trans	-72.5	-40.3	177.1	-55.4	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 4.17Å; Q57-I161 WeakPolarHBondContact O-CD1 3.33Å; I58-I161 VanDerWaalsContact O-CG2 3.3Å; I58-I161 WeakPolarHBondContact O-CG2 3.39Å; L157-I161 HydrophobicContact CD2-CD1 4.49Å; Q158-I161 HydrophobicContact CB-CD1 4.02Å; Q158-I161 HydrophobicContact CB-CG1 4.35Å; Q158-I161 WeakPolarHBondContact O-CB 3.24Å; Q158-I161 PolarHBondContact O-N 3.35Å; Q159-I161 PolarHBondContact O-N 3.36Å; I161-E163 VanDerWaalsContact C-N 3.28Å; I161-E163 PolarHBondContact O-N 3.48Å; I161-N164 PolarHBondContact O-N 2.68Å; I161-L165 HydrophobicContact CG2-CD1 3.96Å; I161-L165 HydrophobicContact CG2-CG 4.29Å; I161-L165 WeakPolarHBondContact O-CG 3.43Å; I161-L165 PolarHBondContact O-N 3.21Å; I161-L165 VanDerWaalsContact O-N 3.08Å
162	I	79.5	Confident	80.5	Confident	17 Å²	17	63.3 Å²	63.3	9%	0.087	32%	0.316	C	S	.	.	H	α-helix	trans	-59.3	-41.9	-178	-60.7	176	0	0	0	110.5	H154 L157 Q158 Q159 N164 L165 K166	H154-I162 HydrophobicContact CB-CD1 3.62Å; H154-I162 HydrophobicContact CB-CG1 3.79Å; L157-I162 HydrophobicContact CB-CD1 4.43Å; L157-I162 HydrophobicContact CB-CG1 4.11Å; Q158-I162 PolarHBondContact O-N 3.16Å; Q159-I162 WeakPolarHBondContact O-CB 3.41Å; Q159-I162 PolarHBondContact O-N 2.93Å; Q159-I162 VanDerWaalsContact O-N 3.11Å; I162-N164 PolarHBondContact O-N 3.39Å; I162-L165 PolarHBondContact O-N 3.26Å; I162-K166 HydrophobicContact CG2-CD 4.15Å; I162-K166 HydrophobicContact CG2-CG 4.35Å; I162-K166 WeakPolarHBondContact O-CB 3.42Å; I162-K166 VanDerWaalsContact O-CG 3.3Å; I162-K166 WeakPolarHBondContact O-CG 3.47Å; I162-K166 PolarHBondContact O-N 3.13Å
163	E	75.8	Confident	80.7	Confident	114 Å²	114	63.9 Å²	63.9	53%	0.533	31%	0.314	S	S	.	.	H	α-helix	trans	-60.8	-42.2	178.2	-68.7	174.8	-176.5	0	0	112.4	Q159 I161 K166	Q159-E163 PolarHBondContact O-N 2.97Å; I161-E163 VanDerWaalsContact C-N 3.28Å; I161-E163 PolarHBondContact O-N 3.48Å; E163-K166 WeakPolarHBondContact O-CB 3.47Å; E163-K166 PolarHBondContact O-N 3.23Å
164	N	78.3	Confident	80.9	Confident	101 Å²	101	63.2 Å²	63.2	54%	0.54	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-45.4	176.6	-66.6	-42.9	0	0	0	111.6	F160 I161 I162 K166 T167	F160-N164 PolarHBondContact O-ND2 3.42Å; F160-N164 VanDerWaalsContact O-ND2 3.17Å; I161-N164 PolarHBondContact O-N 2.68Å; I162-N164 PolarHBondContact O-N 3.39Å; N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 2.89Å; N164-T167 PolarHBondContact O-N 3.01Å; N164-T167 PolarHBondContact O-OG1 3.25Å
165	L	80.9	Confident	81.1	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-31.1	179.7	-67.7	174.8	0	0	0	112.7	N149 I150 L157 I161 I162 T167 F168	N149-L165 HydrophobicContact CB-CD1 3.89Å; I150-L165 HydrophobicContact CG1-CD2 4.39Å; L157-L165 HydrophobicContact CD1-CD1 3.79Å; I161-L165 HydrophobicContact CG2-CD1 3.96Å; I161-L165 HydrophobicContact CG2-CG 4.29Å; I161-L165 WeakPolarHBondContact O-CG 3.43Å; I161-L165 PolarHBondContact O-N 3.21Å; I161-L165 VanDerWaalsContact O-N 3.08Å; I162-L165 PolarHBondContact O-N 3.26Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 3.28Å; L165-F168 WeakPolarHBondContact O-CB 3.49Å; L165-F168 PolarHBondContact O-N 2.87Å
166	K	74.3	Confident	81.5	Confident	69 Å²	69	60.6 Å²	60.6	30%	0.3	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-33.4	176.4	-86.3	-175.9	178.2	-169.2	0	112.7	I162 E163 N164 F168 R169 P334 A335	I162-K166 HydrophobicContact CG2-CD 4.15Å; I162-K166 HydrophobicContact CG2-CG 4.35Å; I162-K166 WeakPolarHBondContact O-CB 3.42Å; I162-K166 VanDerWaalsContact O-CG 3.3Å; I162-K166 WeakPolarHBondContact O-CG 3.47Å; I162-K166 PolarHBondContact O-N 3.13Å; E163-K166 WeakPolarHBondContact O-CB 3.47Å; E163-K166 PolarHBondContact O-N 3.23Å; N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 2.89Å; K166-F168 VanDerWaalsContact C-N 3.33Å; K166-R169 PolarHBondContact O-NH1 2.99Å; K166-P334 HydrophobicContact CB-CB 3.56Å; K166-P334 HydrophobicContact CD-CB 4.3Å; K166-P334 HydrophobicContact CG-CB 3.63Å; K166-P334 WeakPolarHBondContact O-CA 3.2Å; K166-P334 WeakPolarHBondContact O-CB 3.31Å; K166-P334 WeakPolarHBondContact O-CG 3.33Å; K166-A335 HydrophobicContact CG-CB 3.9Å
167	T	73.8	Confident	81.8	Confident	114 Å²	114	57.3 Å²	57.3	70%	0.699	28%	0.281	S	S	*	.	H	α-helix	trans	-77.9	-18.8	179	67.1	0	0	0	0	113.5	N164 L165	N164-T167 PolarHBondContact O-N 3.01Å; N164-T167 PolarHBondContact O-OG1 3.25Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 3.28Å
168	F	81.2	Confident	82.1	Confident	41 Å²	41	56.3 Å²	56.3	18%	0.18	28%	0.276	C	S	.	.			trans	-66.8	139.7	-176.2	-175.7	-89.8	0	0	0	112.4	F144 I150 L165 K166 F170	F144-F168 AromaticContact CE1-CD2 3.73Å; F144-F168 HydrophobicContact CE1-CD2 3.73Å; F144-F168 AromaticContact CE1-CE2 3.78Å; F144-F168 HydrophobicContact CE1-CE2 3.78Å; F144-F168 HydrophobicContact CE1-CG 4.35Å; F144-F168 HydrophobicContact CE1-CZ 4.45Å; F144-F168 AromaticContact CZ-CD2 3.9Å; F144-F168 HydrophobicContact CZ-CD2 3.9Å; F144-F168 HydrophobicContact CZ-CE2 4.24Å; I150-F168 HydrophobicContact CD1-CD1 4.18Å; I150-F168 HydrophobicContact CD1-CE1 3.97Å; I150-F168 HydrophobicContact CG1-CD1 4.23Å; I150-F168 HydrophobicContact CG2-CD1 3.67Å; I150-F168 HydrophobicContact CG2-CE1 4.05Å; L165-F168 WeakPolarHBondContact O-CB 3.49Å; L165-F168 PolarHBondContact O-N 2.87Å; K166-F168 VanDerWaalsContact C-N 3.33Å; F168-F170 AromaticContact CE1-CD1 3.68Å; F168-F170 HydrophobicContact CE1-CD1 3.68Å; F168-F170 HydrophobicContact CE1-CD2 4.18Å; F168-F170 AromaticContact CE1-CE1 3.49Å; F168-F170 HydrophobicContact CE1-CE1 3.49Å; F168-F170 VanDerWaalsContact CE1-CE1 3.49Å; F168-F170 HydrophobicContact CE1-CE2 4.01Å; F168-F170 HydrophobicContact CE1-CG 4.03Å; F168-F170 AromaticContact CE1-CZ 3.66Å; F168-F170 HydrophobicContact CE1-CZ 3.66Å; F168-F170 AromaticContact CZ-CD1 3.99Å; F168-F170 HydrophobicContact CZ-CD1 3.99Å; F168-F170 AromaticContact CZ-CE1 3.79Å; F168-F170 HydrophobicContact CZ-CE1 3.79Å; F168-F170 HydrophobicContact CZ-CZ 4.34Å
169	R	76.8	Confident	82.7	Confident	110 Å²	110	52 Å²	52	42%	0.415	26%	0.256	S	S	.	.			trans	-140.1	134.6	177	-68.3	-64.5	-177.3	-81.5	-8.2	110.4	K166 N332 P334	K166-R169 PolarHBondContact O-NH1 2.99Å; R169-N332 VanDerWaalsContact CZ-O 3.27Å; R169-N332 PolarHBondContact NE-O 3.29Å; R169-N332 PolarHBondContact NH2-O 3.43Å; R169-P334 VanDerWaalsContact NH2-CG 3.29Å
170	F	84.2	Confident	83.5	Confident	21 Å²	21	47.5 Å²	47.5	9%	0.092	23%	0.234	C	C	.	.			trans	-77.9	135.5	169.1	-68.5	-66.5	0	0	0	110.4	L147 I150 F168 D174 R175 I207 W213 L328	L147-F170 HydrophobicContact CD1-CE2 3.97Å; L147-F170 HydrophobicContact CD1-CZ 4.01Å; I150-F170 HydrophobicContact CD1-CZ 3.96Å; I150-F170 HydrophobicContact CG2-CD2 4.44Å; I150-F170 HydrophobicContact CG2-CE2 3.61Å; I150-F170 HydrophobicContact CG2-CZ 4.04Å; F168-F170 AromaticContact CE1-CD1 3.68Å; F168-F170 HydrophobicContact CE1-CD1 3.68Å; F168-F170 HydrophobicContact CE1-CD2 4.18Å; F168-F170 AromaticContact CE1-CE1 3.49Å; F168-F170 HydrophobicContact CE1-CE1 3.49Å; F168-F170 VanDerWaalsContact CE1-CE1 3.49Å; F168-F170 HydrophobicContact CE1-CE2 4.01Å; F168-F170 HydrophobicContact CE1-CG 4.03Å; F168-F170 AromaticContact CE1-CZ 3.66Å; F168-F170 HydrophobicContact CE1-CZ 3.66Å; F168-F170 AromaticContact CZ-CD1 3.99Å; F168-F170 HydrophobicContact CZ-CD1 3.99Å; F168-F170 AromaticContact CZ-CE1 3.79Å; F168-F170 HydrophobicContact CZ-CE1 3.79Å; F168-F170 HydrophobicContact CZ-CZ 4.34Å; F170-D174 HydrophobicContact CB-CB 4.26Å; F170-D174 HydrophobicContact CD1-CB 3.82Å; F170-R175 HydrophobicContact CB-CG 3.9Å; F170-R175 HydrophobicContact CG-CG 4.49Å; F170-I207 HydrophobicContact CE1-CD1 3.64Å; F170-I207 HydrophobicContact CZ-CD1 3.4Å; F170-I207 VanDerWaalsContact CZ-CD1 3.4Å; F170-W213 AromaticContact CE1-CZ2 3.93Å; F170-W213 HydrophobicContact CE1-CZ2 3.93Å; F170-W213 AromaticContact CZ-CZ2 3.94Å; F170-W213 HydrophobicContact CZ-CZ2 3.94Å; F170-L328 HydrophobicContact CE2-CD2 4.26Å
171	T	84.5	Confident	84.3	Confident	76 Å²	76	43.2 Å²	43.2	47%	0.466	22%	0.215	S	C	.	.			trans	-72.9	161.5	160.4	68.4	0	0	0	0	109.7	M173 D174 R175	T171-M173 PolarHBondContact O-N 2.93Å; T171-D174 WeakPolarHBondContact CB-OD2 3.49Å; T171-D174 PolarHBondContact N-OD2 3.14Å; T171-D174 VanDerWaalsContact N-OD2 3.08Å; T171-D174 WeakPolarHBondContact O-CB 3.35Å; T171-D174 PolarHBondContact O-N 3.23Å; T171-D174 VanDerWaalsContact O-N 3.12Å; T171-D174 PolarHBondContact OG1-N 3.11Å; T171-D174 VanDerWaalsContact OG1-N 3.14Å; T171-D174 PolarHBondContact OG1-OD2 2.73Å; T171-R175 PolarHBondContact O-N 3.15Å; T171-R175 VanDerWaalsContact O-N 3.16Å
172	D	84.1	Confident	85	Confident	107 Å²	107	43 Å²	43	57%	0.572	21%	0.214	S	C	*	.	H	α-helix	trans	-62.7	-30.9	175.9	-65.2	-34.7	0	0	0	112.1	R175 K176	D172-R175 PolarHBondContact O-N 2.82Å; D172-R175 IonicContact OD1-CZ 3.84Å; D172-R175 IonicContact OD1-NH1 3.03Å; D172-R175 PolarHBondContact OD1-NH1 2.91Å; D172-K176 WeakPolarHBondContact O-CB 3.32Å; D172-K176 PolarHBondContact O-N 2.93Å
173	M	84.4	Confident	85.8	Confident	28 Å²	28	42.2 Å²	42.2	14%	0.138	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-40.2	173.5	-169.2	57.3	59.7	0	0	112	T171 R175 K176 L177 T475 M476 L479 I511	T171-M173 PolarHBondContact O-N 2.93Å; M173-R175 VanDerWaalsContact C-N 3.34Å; M173-R175 PolarHBondContact O-N 2.92Å; M173-K176 PolarHBondContact O-N 3.41Å; M173-K176 HydrophobicContact SD-CD 4.35Å; M173-L177 HydrophobicContact CG-CD1 3.93Å; M173-L177 HydrophobicContact CG-CG 4.43Å; M173-L177 WeakPolarHBondContact O-CB 3.43Å; M173-L177 WeakPolarHBondContact O-CG 3.5Å; M173-L177 PolarHBondContact O-N 3.4Å; M173-L177 HydrophobicContact SD-CD1 4.48Å; M173-L177 HydrophobicContact SD-CG 4.42Å; M173-T475 HydrophobicContact CE-CG2 3.81Å; M173-T475 HydrophobicContact SD-CG2 4.19Å; M173-M476 HydrophobicContact SD-CB 4.26Å; M173-L479 HydrophobicContact CG-CD1 4.19Å; M173-I511 HydrophobicContact CB-CD1 4.1Å; M173-I511 HydrophobicContact CG-CD1 3.85Å
174	D	86.1	Confident	86.6	Confident	11 Å²	11	37.7 Å²	37.7	6%	0.059	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-41.4	176.7	-64	-43.6	0	0	0	112.1	F170 T171 G178 R515	F170-D174 HydrophobicContact CB-CB 4.26Å; F170-D174 HydrophobicContact CD1-CB 3.82Å; T171-D174 WeakPolarHBondContact CB-OD2 3.49Å; T171-D174 PolarHBondContact N-OD2 3.14Å; T171-D174 VanDerWaalsContact N-OD2 3.08Å; T171-D174 WeakPolarHBondContact O-CB 3.35Å; T171-D174 PolarHBondContact O-N 3.23Å; T171-D174 VanDerWaalsContact O-N 3.12Å; T171-D174 PolarHBondContact OG1-N 3.11Å; T171-D174 VanDerWaalsContact OG1-N 3.14Å; T171-D174 PolarHBondContact OG1-OD2 2.73Å; D174-G178 PolarHBondContact O-N 2.75Å; D174-R515 IonicContact OD1-CZ 2.83Å; D174-R515 IonicContact OD1-NH1 3.64Å; D174-R515 PolarHBondContact OD1-NH1 3.29Å; D174-R515 IonicContact OD1-NH2 2.79Å; D174-R515 PolarHBondContact OD1-NH2 2.94Å; D174-R515 IonicContact OD2-NH2 3.81Å
175	R	89.6	Confident	87.3	Confident	12 Å²	12	33 Å²	33	5%	0.045	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-48.4	173.9	-65.7	-180	179.7	107.4	8.4	110.5	F170 T171 D172 M173 G178 I179 L328 N332	F170-R175 HydrophobicContact CB-CG 3.9Å; F170-R175 HydrophobicContact CG-CG 4.49Å; T171-R175 PolarHBondContact O-N 3.15Å; T171-R175 VanDerWaalsContact O-N 3.16Å; D172-R175 PolarHBondContact O-N 2.82Å; D172-R175 IonicContact OD1-CZ 3.84Å; D172-R175 IonicContact OD1-NH1 3.03Å; D172-R175 PolarHBondContact OD1-NH1 2.91Å; M173-R175 VanDerWaalsContact C-N 3.34Å; M173-R175 PolarHBondContact O-N 2.92Å; R175-G178 PolarHBondContact O-N 2.97Å; R175-I179 WeakPolarHBondContact O-CB 3.34Å; R175-I179 WeakPolarHBondContact O-CD1 3.11Å; R175-I179 WeakPolarHBondContact O-CG1 3.21Å; R175-I179 PolarHBondContact O-N 3.01Å; R175-L328 PolarHBondContact NE-O 3.26Å; R175-N332 PolarHBondContact NH2-OD1 3.08Å
176	K	90.8	Very high	88.1	Confident	34 Å²	34	32.7 Å²	32.7	15%	0.148	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-50.6	-179.5	-177.2	179.6	-67.5	-170.6	0	111.3	D172 M173 I179 Y180 F470 D473 M476	D172-K176 WeakPolarHBondContact O-CB 3.32Å; D172-K176 PolarHBondContact O-N 2.93Å; M173-K176 PolarHBondContact O-N 3.41Å; M173-K176 HydrophobicContact SD-CD 4.35Å; K176-I179 PolarHBondContact O-N 3.13Å; K176-Y180 WeakPolarHBondContact O-CB 3.44Å; K176-Y180 PolarHBondContact O-N 3.05Å; K176-F470 HydrophobicContact CB-CE1 4.07Å; K176-F470 HydrophobicContact CB-CZ 3.77Å; K176-F470 HydrophobicContact CD-CE1 4.43Å; K176-F470 HydrophobicContact CD-CE2 4.41Å; K176-F470 HydrophobicContact CD-CZ 4.18Å; K176-F470 VanDerWaalsContact CE-CE2 3.44Å; K176-F470 WeakPolarHBondContact CE-O 3.44Å; K176-F470 HydrophobicContact CG-CD1 4.33Å; K176-F470 HydrophobicContact CG-CE1 3.62Å; K176-F470 HydrophobicContact CG-CE2 4.34Å; K176-F470 HydrophobicContact CG-CZ 3.63Å; K176-D473 HydrophobicContact CD-CB 4.16Å; K176-D473 IonicContact NZ-OD2 3.62Å; K176-D473 PolarHBondContact NZ-OD2 2.97Å; K176-M476 HydrophobicContact CD-CB 4.14Å; K176-M476 HydrophobicContact CD-CG 4.1Å; K176-M476 HydrophobicContact CG-CG 4.08Å
177	L	89.6	Confident	89	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-47.3	177.2	-72.7	163.6	0	0	0	112.1	M173 I179 Y180 Q181 M476 L479	M173-L177 HydrophobicContact CG-CD1 3.93Å; M173-L177 HydrophobicContact CG-CG 4.43Å; M173-L177 WeakPolarHBondContact O-CB 3.43Å; M173-L177 WeakPolarHBondContact O-CG 3.5Å; M173-L177 PolarHBondContact O-N 3.4Å; M173-L177 HydrophobicContact SD-CD1 4.48Å; M173-L177 HydrophobicContact SD-CG 4.42Å; L177-I179 PolarHBondContact O-N 2.89Å; L177-Y180 WeakPolarHBondContact O-CB 3.47Å; L177-Y180 PolarHBondContact O-N 3.33Å; L177-Q181 WeakPolarHBondContact O-CB 3.36Å; L177-Q181 VanDerWaalsContact O-CG 3.27Å; L177-Q181 WeakPolarHBondContact O-CG 3.3Å; L177-Q181 PolarHBondContact O-N 3.34Å; L177-M476 HydrophobicContact CD2-CB 4.46Å; L177-M476 HydrophobicContact CD2-CE 3.57Å; L177-M476 HydrophobicContact CD2-CG 3.75Å; L177-M476 HydrophobicContact CG-CG 4.34Å; L177-L479 HydrophobicContact CD1-CB 4.34Å; L177-L479 HydrophobicContact CD1-CD1 3.63Å; L177-L479 HydrophobicContact CD2-CB 3.91Å; L177-L479 HydrophobicContact CD2-CD1 4.43Å
178	G	93	Very high	89.9	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-43.7	-179.9	0	0	0	0	0	112.9	D174 R175 Q181 L182	D174-G178 PolarHBondContact O-N 2.75Å; R175-G178 PolarHBondContact O-N 2.97Å; G178-Q181 PolarHBondContact O-N 3.33Å; G178-L182 WeakPolarHBondContact O-CG 3.23Å; G178-L182 PolarHBondContact O-N 3.41Å; G178-L182 VanDerWaalsContact O-N 3.11Å
179	I	94.7	Very high	90.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-42.1	176.5	-63.6	164.1	0	0	0	110.5	R175 K176 L177 L182 T183 I325 L328 Y329 L444 F465 F471	R175-I179 WeakPolarHBondContact O-CB 3.34Å; R175-I179 WeakPolarHBondContact O-CD1 3.11Å; R175-I179 WeakPolarHBondContact O-CG1 3.21Å; R175-I179 PolarHBondContact O-N 3.01Å; K176-I179 PolarHBondContact O-N 3.13Å; L177-I179 PolarHBondContact O-N 2.89Å; I179-L182 PolarHBondContact O-N 3.01Å; I179-T183 WeakPolarHBondContact O-CB 3.47Å; I179-T183 PolarHBondContact O-N 3.42Å; I179-T183 PolarHBondContact O-OG1 3.42Å; I179-I325 HydrophobicContact CD1-CG1 4.04Å; I179-I325 HydrophobicContact CD1-CG2 4.37Å; I179-I325 HydrophobicContact CG1-CG1 4.11Å; I179-I325 HydrophobicContact CG2-CD1 3.91Å; I179-I325 HydrophobicContact CG2-CG1 4.14Å; I179-L328 HydrophobicContact CD1-CD1 4.33Å; I179-L328 HydrophobicContact CG1-CD1 4.06Å; I179-Y329 HydrophobicContact CD1-CE2 4.08Å; I179-L444 HydrophobicContact CD1-CD1 4.44Å; I179-F465 HydrophobicContact CG2-CE1 4.14Å; I179-F471 HydrophobicContact CB-CE1 4.4Å; I179-F471 HydrophobicContact CG2-CE1 4.12Å; I179-F471 HydrophobicContact CG2-CZ 3.84Å
180	Y	94	Very high	91.3	Very high	28 Å²	28	24 Å²	24	11%	0.11	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-46.3	176.1	179.4	-99.9	0	0	0	111.6	K176 L177 L182 T183 E184 F471 M476 D480	K176-Y180 WeakPolarHBondContact O-CB 3.44Å; K176-Y180 PolarHBondContact O-N 3.05Å; L177-Y180 WeakPolarHBondContact O-CB 3.47Å; L177-Y180 PolarHBondContact O-N 3.33Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-L182 PolarHBondContact O-N 3.45Å; Y180-T183 WeakPolarHBondContact O-CA 3.38Å; Y180-T183 WeakPolarHBondContact O-CB 3.32Å; Y180-T183 PolarHBondContact O-N 2.76Å; Y180-E184 HydrophobicContact CD1-CG 4.09Å; Y180-E184 HydrophobicContact CD2-CG 4.47Å; Y180-E184 HydrophobicContact CE1-CG 3.56Å; Y180-E184 HydrophobicContact CE2-CG 3.99Å; Y180-E184 PolarHBondContact O-N 2.97Å; Y180-F471 HydrophobicContact CD2-CB 3.83Å; Y180-F471 AromaticContact CD2-CD1 3.73Å; Y180-F471 HydrophobicContact CD2-CD1 3.73Å; Y180-F471 HydrophobicContact CD2-CD2 4.18Å; Y180-F471 HydrophobicContact CD2-CE1 4.32Å; 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 4.44Å; Y180-F471 HydrophobicContact CG-CD1 4.17Å; Y180-M476 HydrophobicContact CD1-CE 3.12Å; Y180-M476 HydrophobicContact CD1-SD 4.12Å; Y180-M476 HydrophobicContact CD2-CE 4.28Å; Y180-M476 HydrophobicContact CD2-SD 4.24Å; Y180-M476 HydrophobicContact CE1-CE 3.57Å; Y180-M476 HydrophobicContact CE1-SD 4.46Å; Y180-M476 HydrophobicContact CG-CE 3.51Å; Y180-M476 HydrophobicContact CG-SD 3.97Å; Y180-D480 HydrophobicContact CE1-CB 4.28Å
181	Q	93.8	Very high	91.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-60.8	-41.5	-179.8	-74.8	172.4	-11.4	0	0	113	N121 L177 G178 T183 L185	N121-Q181 HydrophobicContact CB-CB 4.43Å; N121-Q181 WeakPolarHBondContact ND2-CA 3.49Å; N121-Q181 PolarHBondContact ND2-O 3.39Å; N121-Q181 VanDerWaalsContact ND2-O 3.14Å; L177-Q181 WeakPolarHBondContact O-CB 3.36Å; L177-Q181 VanDerWaalsContact O-CG 3.27Å; L177-Q181 WeakPolarHBondContact O-CG 3.3Å; L177-Q181 PolarHBondContact O-N 3.34Å; G178-Q181 PolarHBondContact O-N 3.33Å; Q181-T183 VanDerWaalsContact C-N 3.35Å; Q181-L185 WeakPolarHBondContact O-CB 3.33Å; Q181-L185 PolarHBondContact O-N 3.04Å
182	L	95.4	Very high	91.6	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-40	173	-67.3	178	0	0	0	111.5	G178 I179 Y180 L185 L186 I205 W213 L321	G178-L182 WeakPolarHBondContact O-CG 3.23Å; G178-L182 PolarHBondContact O-N 3.41Å; G178-L182 VanDerWaalsContact O-N 3.11Å; I179-L182 PolarHBondContact O-N 3.01Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-L182 PolarHBondContact O-N 3.45Å; L182-L185 PolarHBondContact O-N 3.05Å; L182-L186 WeakPolarHBondContact O-CB 3.3Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 3.42Å; L182-I205 HydrophobicContact CD1-CD1 3.65Å; L182-I205 HydrophobicContact CD1-CG1 4.4Å; L182-I205 HydrophobicContact CD2-CD1 4.11Å; L182-I205 HydrophobicContact CD2-CG1 3.98Å; L182-I205 HydrophobicContact CD2-CG2 4.37Å; L182-W213 HydrophobicContact CD1-CE3 3.72Å; L182-W213 HydrophobicContact CD1-CZ3 3.87Å; L182-W213 HydrophobicContact CG-CE3 4.08Å; L182-L321 HydrophobicContact CB-CD1 4.14Å; L182-L321 HydrophobicContact CD1-CD1 4.1Å
183	T	95.4	Very high	91.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-46.8	178.6	-56.3	0	0	0	0	111.1	I179 Y180 Q181 L185 L186 R187 S462 F465 A466	I179-T183 WeakPolarHBondContact O-CB 3.47Å; I179-T183 PolarHBondContact O-N 3.42Å; I179-T183 PolarHBondContact O-OG1 3.42Å; Y180-T183 WeakPolarHBondContact O-CA 3.38Å; Y180-T183 WeakPolarHBondContact O-CB 3.32Å; Y180-T183 PolarHBondContact O-N 2.76Å; Q181-T183 VanDerWaalsContact C-N 3.35Å; T183-L185 VanDerWaalsContact C-N 3.32Å; T183-L185 PolarHBondContact O-N 3.34Å; T183-L186 PolarHBondContact O-N 3.25Å; T183-R187 WeakPolarHBondContact O-CB 3.31Å; T183-R187 PolarHBondContact O-N 3.08Å; T183-S462 WeakPolarHBondContact CG2-O 3.4Å; T183-F465 HydrophobicContact CG2-CB 4.22Å; T183-F465 HydrophobicContact CG2-CD1 3.74Å; T183-F465 HydrophobicContact CG2-CG 4.48Å; T183-F465 WeakPolarHBondContact OG1-CD1 3.26Å; T183-A466 HydrophobicContact CG2-CB 3.83Å
184	E	92.5	Very high	92.1	Very high	19 Å²	19	24.1 Å²	24.1	9%	0.089	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-40.3	176.1	-79.7	-63.4	97.5	0	0	112.1	Y180 R187 F188	Y180-E184 HydrophobicContact CD1-CG 4.09Å; Y180-E184 HydrophobicContact CD2-CG 4.47Å; Y180-E184 HydrophobicContact CE1-CG 3.56Å; Y180-E184 HydrophobicContact CE2-CG 3.99Å; Y180-E184 PolarHBondContact O-N 2.97Å; E184-R187 WeakPolarHBondContact O-CB 3.38Å; E184-R187 PolarHBondContact O-N 2.99Å; E184-R187 IonicContact OE1-CZ 3.5Å; E184-R187 IonicContact OE1-NE 2.95Å; E184-R187 PolarHBondContact OE1-NE 3.38Å; E184-R187 IonicContact OE1-NH2 2.74Å; E184-R187 IonicContact OE2-CZ 2.75Å; E184-R187 IonicContact OE2-NE 3.55Å; E184-R187 PolarHBondContact OE2-NE 3.47Å; E184-R187 IonicContact OE2-NH2 3.67Å; E184-R187 PolarHBondContact OE2-NH2 2.83Å; E184-F188 PolarHBondContact O-N 3.16Å
185	L	94.8	Very high	92.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-45.6	174.7	175.9	63.5	0	0	0	112.4	H119 N121 M122 Q181 L182 T183 R187 F188 L189 L215	H119-L185 HydrophobicContact CB-CD1 4.2Å; H119-L185 WeakPolarHBondContact ND1-CD1 3.33Å; N121-L185 HydrophobicContact CB-CB 4.27Å; M122-L185 HydrophobicContact CG-CD1 3.31Å; M122-L185 HydrophobicContact CG-CD2 4.22Å; M122-L185 HydrophobicContact CG-CG 4.41Å; M122-L185 HydrophobicContact SD-CD1 3.9Å; Q181-L185 WeakPolarHBondContact O-CB 3.33Å; Q181-L185 PolarHBondContact O-N 3.04Å; L182-L185 PolarHBondContact O-N 3.05Å; T183-L185 VanDerWaalsContact C-N 3.32Å; T183-L185 PolarHBondContact O-N 3.34Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.35Å; L185-F188 HydrophobicContact CD1-CD1 4.33Å; L185-F188 WeakPolarHBondContact O-CB 3.46Å; L185-F188 PolarHBondContact O-N 2.94Å; L185-L189 PolarHBondContact O-N 3.13Å; L185-L215 HydrophobicContact CD2-CB 3.23Å; L185-L215 HydrophobicContact CD2-CD2 3.56Å; L185-L215 HydrophobicContact CD2-CG 4Å; L185-L215 HydrophobicContact CG-CD2 4.47Å
186	L	96.2	Very high	92.4	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-65.5	-35.7	177.5	-70.3	179.2	0	0	0	111.2	L182 T183 L189 H190 V200 D317 M318 L321	L182-L186 WeakPolarHBondContact O-CB 3.3Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 3.42Å; T183-L186 PolarHBondContact O-N 3.25Å; L186-L189 HydrophobicContact CD2-CD1 4.49Å; L186-L189 PolarHBondContact O-N 3Å; L186-H190 VanDerWaalsContact O-CB 3.25Å; L186-H190 WeakPolarHBondContact O-CB 3.25Å; L186-H190 PolarHBondContact O-CD2 3.42Å; L186-H190 PolarHBondContact O-N 3.1Å; L186-H190 PolarHBondContact O-ND1 2.95Å; L186-V200 HydrophobicContact CD2-CG2 3.96Å; L186-D317 HydrophobicContact CD1-CB 4.24Å; L186-D317 HydrophobicContact CD2-CB 3.92Å; L186-M318 HydrophobicContact CD1-SD 4.03Å; L186-L321 HydrophobicContact CD1-CB 4.36Å; L186-L321 HydrophobicContact CD1-CD2 4.21Å
187	R	94.5	Very high	92.5	Very high	91 Å²	91	21.7 Å²	21.7	34%	0.343	12%	0.12	S	C	.	.	H	α-helix	trans	-59	-49.8	171.3	-173.3	177.3	70.9	92.7	-1	110.5	T183 E184 L185 L189 H190 T191 S462 Q463	T183-R187 WeakPolarHBondContact O-CB 3.31Å; T183-R187 PolarHBondContact O-N 3.08Å; E184-R187 WeakPolarHBondContact O-CB 3.38Å; E184-R187 PolarHBondContact O-N 2.99Å; E184-R187 IonicContact OE1-CZ 3.5Å; E184-R187 IonicContact OE1-NE 2.95Å; E184-R187 PolarHBondContact OE1-NE 3.38Å; E184-R187 IonicContact OE1-NH2 2.74Å; E184-R187 IonicContact OE2-CZ 2.75Å; E184-R187 IonicContact OE2-NE 3.55Å; E184-R187 PolarHBondContact OE2-NE 3.47Å; E184-R187 IonicContact OE2-NH2 3.67Å; E184-R187 PolarHBondContact OE2-NH2 2.83Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.35Å; R187-L189 PolarHBondContact O-N 3.02Å; R187-H190 PolarHBondContact O-N 2.95Å; R187-T191 PolarHBondContact O-N 3.22Å; R187-T191 PolarHBondContact O-OG1 2.99Å; R187-S462 WeakPolarHBondContact CA-OG 3.27Å; R187-Q463 HydrophobicContact CG-CB 4.39Å
188	F	93.1	Very high	92.6	Very high	44 Å²	44	21.7 Å²	21.7	19%	0.193	12%	0.12	C	C	.	.	I	π-helix	trans	-55.5	-47.2	175.1	165.6	-101.9	0	0	0	112.6	H119 M122 E184 L185 G192 Q193	H119-F188 HydrophobicContact CB-CD1 3.9Å; H119-F188 HydrophobicContact CB-CE1 3.89Å; H119-F188 HydrophobicContact CB-CG 4.41Å; H119-F188 HydrophobicContact CB-CZ 4.38Å; H119-F188 AromaticContact CD2-CD1 3.82Å; H119-F188 AromaticContact CD2-CD2 3.9Å; H119-F188 AromaticContact CD2-CG 3.48Å; H119-F188 VanDerWaalsContact CD2-CG 3.48Å; H119-F188 WeakPolarHBondContact CD2-CG 3.48Å; H119-F188 AromaticContact CG-CD1 3.95Å; M122-F188 HydrophobicContact SD-CE1 4.47Å; E184-F188 PolarHBondContact O-N 3.16Å; L185-F188 HydrophobicContact CD1-CD1 4.33Å; L185-F188 WeakPolarHBondContact O-CB 3.46Å; L185-F188 PolarHBondContact O-N 2.94Å; F188-G192 CarbonylContact O-C 3.49Å; F188-G192 WeakPolarHBondContact O-CA 3.44Å; F188-G192 PolarHBondContact O-N 2.97Å; F188-Q193 HydrophobicContact CE1-CG 3.85Å; F188-Q193 HydrophobicContact CE2-CG 3.93Å; F188-Q193 HydrophobicContact CZ-CG 3.51Å; F188-Q193 PolarHBondContact O-N 3.45Å
189	L	93.1	Very high	92.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-64.3	-51.3	178.6	-69.6	175.6	0	0	0	111.6	L117 L185 L186 R187 Q193 S194 L195 H197 L215	L117-L189 HydrophobicContact CD1-CD2 4.39Å; L185-L189 PolarHBondContact O-N 3.13Å; L186-L189 HydrophobicContact CD2-CD1 4.49Å; L186-L189 PolarHBondContact O-N 3Å; R187-L189 PolarHBondContact O-N 3.02Å; L189-Q193 CarbonylContact O-C 3.59Å; L189-Q193 PolarHBondContact O-N 2.92Å; L189-S194 PolarHBondContact O-N 2.95Å; L189-L195 CarbonylContact C-O 3.09Å; L189-L195 PolarHBondContact O-N 3.1Å; L189-H197 HydrophobicContact CD1-CB 4.16Å; L189-L215 HydrophobicContact CD1-CD2 4.43Å
190	H	93.5	Very high	92.5	Very high	17 Å²	17	21.9 Å²	21.9	8%	0.079	12%	0.121	C	C	.	.	I	π-helix	trans	-69.9	-48.7	-172.2	-61.4	170.1	0	0	0	112.7	L186 R187 S194 L195 P314 D317 S462	L186-H190 VanDerWaalsContact O-CB 3.25Å; L186-H190 WeakPolarHBondContact O-CB 3.25Å; L186-H190 PolarHBondContact O-CD2 3.42Å; L186-H190 PolarHBondContact O-N 3.1Å; L186-H190 PolarHBondContact O-ND1 2.95Å; R187-H190 PolarHBondContact O-N 2.95Å; H190-S194 WeakPolarHBondContact O-CA 3.46Å; H190-L195 WeakPolarHBondContact CA-O 3.44Å; H190-L195 PolarHBondContact CD2-O 3.36Å; H190-L195 PolarHBondContact N-O 3.39Å; H190-P314 HydrophobicContact CB-CB 4.26Å; H190-P314 PolarHBondContact CE1-O 2.93Å; H190-P314 VanDerWaalsContact CE1-O 3.28Å; H190-D317 IonicContact CD2-OD2 3.65Å; H190-D317 IonicContact CE1-OD2 3.75Å; H190-D317 IonicContact NE2-OD2 3.17Å; H190-D317 PolarHBondContact NE2-OD2 3.23Å; H190-S462 PolarHBondContact ND1-OG 2.88Å
191	T	89	Confident	92.4	Very high	75 Å²	75	20.5 Å²	20.5	46%	0.46	12%	0.116	S	C	.	.	I	π-helix	trans	-97.7	-34.6	-175	63.9	0	0	0	0	112.6	R187	R187-T191 PolarHBondContact O-N 3.22Å; R187-T191 PolarHBondContact O-OG1 2.99Å
192	G	86.1	Confident	92.4	Very high	48 Å²	48	20.7 Å²	20.7	50%	0.495	12%	0.117	S	C	.	.	I	π-helix	trans	-81	-45.4	-176.9	0	0	0	0	0	113	F188	F188-G192 CarbonylContact O-C 3.49Å; F188-G192 WeakPolarHBondContact O-CA 3.44Å; F188-G192 PolarHBondContact O-N 2.97Å
193	Q	87.9	Confident	92.2	Very high	59 Å²	59	21 Å²	21	28%	0.276	12%	0.119	S	C	.	.	S	Bend	trans	-105.3	-6.5	-177.6	-62	-62.5	-53.6	0	0	113.5	L117 F188 L189 L195 Y234	L117-Q193 HydrophobicContact CD2-CG 4.36Å; F188-Q193 HydrophobicContact CE1-CG 3.85Å; F188-Q193 HydrophobicContact CE2-CG 3.93Å; F188-Q193 HydrophobicContact CZ-CG 3.51Å; F188-Q193 PolarHBondContact O-N 3.45Å; L189-Q193 CarbonylContact O-C 3.59Å; L189-Q193 PolarHBondContact O-N 2.92Å; Q193-L195 HydrophobicContact CB-CB 4.29Å; Q193-L195 HydrophobicContact CB-CD1 3.84Å; Q193-L195 HydrophobicContact CB-CG 3.92Å; Q193-L195 WeakPolarHBondContact O-CG 3.3Å; Q193-L195 PolarHBondContact O-N 2.93Å; Q193-Y234 PolarHBondContact OE1-OH 2.91Å
194	S	90	Very high	92.1	Very high	51 Å²	51	21 Å²	21	36%	0.357	12%	0.12	S	C	.	.	S	Bend	trans	55.7	31.2	-172.8	-60	0	0	0	0	113.3	L189 H190 T224	L189-S194 PolarHBondContact O-N 2.95Å; H190-S194 WeakPolarHBondContact O-CA 3.46Å; S194-T224 VanDerWaalsContact O-CB 3.25Å; S194-T224 WeakPolarHBondContact O-CB 3.34Å; S194-T224 PolarHBondContact O-N 3.44Å; S194-T224 PolarHBondContact O-OG1 3.49Å
195	L	91.9	Very high	92.3	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	156.5	179.9	-63.7	175.3	0	0	0	110.3	L117 L189 H190 Q193 I221 E222 Y234 L236	L117-L195 HydrophobicContact CD2-CD1 4.14Å; L189-L195 CarbonylContact C-O 3.09Å; L189-L195 PolarHBondContact O-N 3.1Å; H190-L195 WeakPolarHBondContact CA-O 3.44Å; H190-L195 PolarHBondContact CD2-O 3.36Å; H190-L195 PolarHBondContact N-O 3.39Å; Q193-L195 HydrophobicContact CB-CB 4.29Å; Q193-L195 HydrophobicContact CB-CD1 3.84Å; Q193-L195 HydrophobicContact CB-CG 3.92Å; Q193-L195 WeakPolarHBondContact O-CG 3.3Å; Q193-L195 PolarHBondContact O-N 2.93Å; L195-I221 HydrophobicContact CB-CG2 3.92Å; L195-I221 HydrophobicContact CD1-CG2 3.95Å; L195-I221 HydrophobicContact CD2-CG2 4.03Å; L195-I221 HydrophobicContact CG-CG2 4.16Å; L195-E222 WeakPolarHBondContact CA-O 3.25Å; L195-Y234 HydrophobicContact CD1-CD2 4.25Å; L195-Y234 HydrophobicContact CD1-CE2 4.23Å; L195-L236 HydrophobicContact CD2-CD1 4.2Å
196	F	91.8	Very high	92.4	Very high	3 Å²	3	20 Å²	20	1%	0.013	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.4	166.8	69.2	-83	0	0	0	110.2	N198 I221 E222 P312 P314 D317	F196-N198 HydrophobicContact CD2-CB 3.85Å; F196-N198 HydrophobicContact CE2-CB 3.7Å; F196-I221 WeakPolarHBondContact O-CA 3.39Å; F196-E222 HydrophobicContact CD1-CB 4.19Å; F196-E222 WeakPolarHBondContact CD1-O 3.36Å; F196-E222 HydrophobicContact CE1-CB 3.44Å; F196-E222 VanDerWaalsContact CE1-CB 3.44Å; F196-E222 HydrophobicContact CE2-CB 4.08Å; F196-E222 HydrophobicContact CZ-CB 3.38Å; F196-E222 HydrophobicContact CZ-CG 4.25Å; F196-E222 WeakPolarHBondContact CZ-OE2 3.46Å; F196-E222 PolarHBondContact N-O 3.07Å; F196-E222 PolarHBondContact O-N 3.4Å; F196-E222 VanDerWaalsContact O-N 3.1Å; F196-P312 HydrophobicContact CE2-CB 4.04Å; F196-P312 HydrophobicContact CZ-CB 4.28Å; F196-P312 HydrophobicContact CZ-CG 4.42Å; F196-P314 HydrophobicContact CB-CG 4.45Å; F196-D317 WeakPolarHBondContact CA-OD2 3.3Å; F196-D317 WeakPolarHBondContact CB-OD2 3.47Å
197	H	92.5	Very high	92.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.			trans	-77.1	-35.4	-167.3	179.2	-106.8	0	0	0	113.6	L189 N199 V200 S217 F220 D317	L189-H197 HydrophobicContact CD1-CB 4.16Å; H197-N199 PolarHBondContact CE1-O 3.14Å; H197-N199 PolarHBondContact ND1-N 2.94Å; H197-N199 PolarHBondContact O-N 3.47Å; H197-N199 VanDerWaalsContact O-N 3.1Å; H197-V200 HydrophobicContact CB-CG2 3.83Å; H197-V200 WeakPolarHBondContact ND1-CG2 3.11Å; H197-V200 PolarHBondContact ND1-N 2.79Å; H197-S217 PolarHBondContact CD2-O 3.34Å; H197-S217 PolarHBondContact NE2-O 3.44Å; H197-F220 CarbonylContact O-C 3.46Å; H197-D317 PolarHBondContact N-OD1 3.36Å; H197-D317 PolarHBondContact N-OD2 3.49Å
198	N	90.9	Very high	92.2	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	64	11.8	173.3	-157.3	20.6	0	0	0	114.9	F196 F220 P240 W241 P251 D317	F196-N198 HydrophobicContact CD2-CB 3.85Å; F196-N198 HydrophobicContact CE2-CB 3.7Å; N198-F220 HydrophobicContact CB-CB 4.41Å; N198-F220 WeakPolarHBondContact CB-O 3.48Å; N198-P240 WeakPolarHBondContact ND2-CG 3.46Å; N198-W241 PolarHBondContact ND2-NE1 3.2Å; N198-W241 PolarHBondContact OD1-NE1 2.95Å; N198-P251 WeakPolarHBondContact O-CB 3.19Å; N198-D317 PolarHBondContact N-OD1 2.99Å
199	N	92.1	Very high	91.8	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	11%	0.107	C	C	.	.			trans	-158.3	35.2	176.6	-169.9	41.2	0	0	0	113.3	H197 S201 S204 F220 P251 D252	H197-N199 PolarHBondContact CE1-O 3.14Å; H197-N199 PolarHBondContact ND1-N 2.94Å; H197-N199 PolarHBondContact O-N 3.47Å; H197-N199 VanDerWaalsContact O-N 3.1Å; N199-S201 PolarHBondContact O-N 3.09Å; N199-S201 PolarHBondContact O-OG 3.28Å; N199-S204 PolarHBondContact O-OG 3.47Å; N199-F220 HydrophobicContact CB-CB 4.17Å; N199-F220 HydrophobicContact CB-CD2 3.46Å; N199-F220 VanDerWaalsContact CB-CD2 3.46Å; N199-F220 HydrophobicContact CB-CE2 4.27Å; N199-F220 HydrophobicContact CB-CG 4.24Å; N199-F220 WeakPolarHBondContact ND2-CD2 3.25Å; N199-F220 WeakPolarHBondContact ND2-CE2 3.39Å; N199-P251 HydrophobicContact CB-CB 4.03Å; N199-P251 WeakPolarHBondContact OD1-CA 3.33Å; N199-D252 PolarHBondContact OD1-N 3.25Å
200	V	94.9	Very high	91.2	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	14%	0.138	C	C	.	.			trans	-66.4	108.8	178.6	-172.8	0	0	0	0	107.7	L186 H197 D317 S320 I324	L186-V200 HydrophobicContact CD2-CG2 3.96Å; H197-V200 HydrophobicContact CB-CG2 3.83Å; H197-V200 WeakPolarHBondContact ND1-CG2 3.11Å; H197-V200 PolarHBondContact ND1-N 2.79Å; V200-D317 HydrophobicContact CG2-CB 3.9Å; V200-S320 VanDerWaalsContact O-CB 3.31Å; V200-S320 WeakPolarHBondContact O-CB 3.49Å; V200-I324 HydrophobicContact CG1-CD1 3.65Å
201	S	92.1	Very high	90.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-149.6	159.6	-172.3	59.7	0	0	0	0	109.6	N199 S203 S204 I205	N199-S201 PolarHBondContact O-N 3.09Å; N199-S201 PolarHBondContact O-OG 3.28Å; S201-S203 PolarHBondContact O-N 3.43Å; S201-S203 VanDerWaalsContact O-N 3.07Å; S201-S203 PolarHBondContact OG-OG 3.23Å; S201-S204 PolarHBondContact N-OG 3.38Å; S201-S204 PolarHBondContact O-N 2.95Å; S201-S204 PolarHBondContact O-OG 3.27Å; S201-S204 PolarHBondContact OG-OG 3.35Å; S201-I205 WeakPolarHBondContact O-CG1 3.45Å; S201-I205 PolarHBondContact O-N 3.04Å
202	P	92.2	Very high	90.8	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.026	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.7	176.2	-27.7	36.9	0	0	0	113.8	L147 A148 L151 Y255 I324	L147-P202 HydrophobicContact CB-CB 4.33Å; L147-P202 HydrophobicContact CD2-CB 4.41Å; L147-P202 HydrophobicContact CG-CB 4.18Å; L147-P202 PolarHBondContact N-O 3.44Å; A148-P202 HydrophobicContact CB-CB 3.91Å; A148-P202 PolarHBondContact N-O 3.09Å; L151-P202 HydrophobicContact CD1-CB 4.06Å; L151-P202 HydrophobicContact CD1-CG 4.03Å; P202-Y255 HydrophobicContact CG-CD1 4.47Å; P202-Y255 HydrophobicContact CG-CE1 3.77Å; P202-Y255 HydrophobicContact CG-CE2 3.86Å; P202-Y255 VanDerWaalsContact CG-CZ 3.43Å; P202-Y255 WeakPolarHBondContact CG-OH 3.49Å; P202-I324 HydrophobicContact CG-CG1 4.33Å
203	S	91.4	Very high	91.2	Very high	11 Å²	11	19.7 Å²	19.7	8%	0.077	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-23.6	177.3	43.2	0	0	0	0	114.1	G62 S201	G62-S203 PolarHBondContact N-O 3.25Å; G62-S203 WeakPolarHBondContact O-CB 3.37Å; S201-S203 PolarHBondContact O-N 3.43Å; S201-S203 VanDerWaalsContact O-N 3.07Å; S201-S203 PolarHBondContact OG-OG 3.23Å
204	S	94.3	Very high	91.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.007	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-10.2	174.9	51.9	0	0	0	0	113.1	N199 S201 G216	N199-S204 PolarHBondContact O-OG 3.47Å; S201-S204 PolarHBondContact N-OG 3.38Å; S201-S204 PolarHBondContact O-N 2.95Å; S201-S204 PolarHBondContact O-OG 3.27Å; S201-S204 PolarHBondContact OG-OG 3.35Å; S204-G216 PolarHBondContact O-N 3.03Å
205	I	96.2	Very high	91.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125	178.7	-60.8	160	0	0	0	109.9	S146 L147 L182 S201 W213 L215 I324	S146-I205 WeakPolarHBondContact CA-O 3Å; L147-I205 HydrophobicContact CB-CB 4.02Å; L147-I205 HydrophobicContact CB-CG2 4.05Å; L147-I205 HydrophobicContact CD2-CB 4.27Å; L147-I205 HydrophobicContact CD2-CD1 3.97Å; L147-I205 HydrophobicContact CD2-CG2 4.18Å; L147-I205 PolarHBondContact N-O 3.5Å; L182-I205 HydrophobicContact CD1-CD1 3.65Å; L182-I205 HydrophobicContact CD1-CG1 4.4Å; L182-I205 HydrophobicContact CD2-CD1 4.11Å; L182-I205 HydrophobicContact CD2-CG1 3.98Å; L182-I205 HydrophobicContact CD2-CG2 4.37Å; S201-I205 WeakPolarHBondContact O-CG1 3.45Å; S201-I205 PolarHBondContact O-N 3.04Å; I205-W213 HydrophobicContact CG2-CD2 4.35Å; I205-W213 HydrophobicContact CG2-CE3 3.86Å; I205-L215 HydrophobicContact CG1-CD1 4.44Å; I205-I324 HydrophobicContact CD1-CD1 3.66Å; I205-I324 HydrophobicContact CD1-CG2 4.35Å
206	L	96.6	Very high	91.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.9	177.8	-58.2	-178.8	0	0	0	110.2	C61 F84 L123 I143 W213 R214	C61-L206 HydrophobicContact CB-CD2 3.55Å; F84-L206 HydrophobicContact CE1-CD1 3.91Å; F84-L206 HydrophobicContact CZ-CD1 3.75Å; L123-L206 HydrophobicContact CD1-CD1 4.04Å; L123-L206 HydrophobicContact CD2-CD1 3.93Å; I143-L206 HydrophobicContact CD1-CB 4.22Å; I143-L206 HydrophobicContact CD1-CD1 4.42Å; I143-L206 HydrophobicContact CG1-CD1 4.3Å; I143-L206 HydrophobicContact CG2-CB 4.23Å; L206-W213 CarbonylContact O-C 3.55Å; L206-W213 WeakPolarHBondContact O-CA 3.49Å; L206-R214 PolarHBondContact N-O 3.02Å; L206-R214 PolarHBondContact O-N 2.84Å
207	I	94.5	Very high	91.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.3	177.9	-55.3	-173.6	0	0	0	107.9	F144 S145 L147 I150 F170 Q212 W213	F144-I207 WeakPolarHBondContact CA-O 3.07Å; F144-I207 WeakPolarHBondContact CB-O 3.39Å; F144-I207 PolarHBondContact N-O 2.69Å; S145-I207 PolarHBondContact N-O 3.16Å; S145-I207 PolarHBondContact O-N 3.2Å; L147-I207 HydrophobicContact CD1-CD1 4.49Å; I150-I207 HydrophobicContact CD1-CD1 3.61Å; F170-I207 HydrophobicContact CE1-CD1 3.64Å; F170-I207 HydrophobicContact CZ-CD1 3.4Å; F170-I207 VanDerWaalsContact CZ-CD1 3.4Å; I207-Q212 CarbonylContact C-O 3.55Å; I207-Q212 WeakPolarHBondContact CA-O 3.41Å; I207-W213 HydrophobicContact CD1-CZ2 4.36Å; I207-W213 HydrophobicContact CG1-CG 4.4Å
208	T	92	Very high	91.3	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.018	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	165.2	177.3	71.9	0	0	0	0	111.1	E141 R142 I143 Q210 N211 Q212 R214	E141-T208 HydrophobicContact CG-CG2 4.36Å; R142-T208 WeakPolarHBondContact O-CA 3.47Å; I143-T208 HydrophobicContact CD1-CG2 4.04Å; T208-Q210 PolarHBondContact O-N 3.12Å; T208-Q210 VanDerWaalsContact O-N 3.1Å; T208-Q210 PolarHBondContact OG1-N 3.35Å; T208-N211 PolarHBondContact O-N 3Å; T208-Q212 HydrophobicContact CG2-CB 4.15Å; T208-Q212 PolarHBondContact N-O 3.47Å; T208-Q212 WeakPolarHBondContact OG1-CB 3.27Å; T208-Q212 PolarHBondContact OG1-N 2.85Å; T208-Q212 VanDerWaalsContact OG1-N 3.12Å; T208-R214 HydrophobicContact CG2-CG 3.69Å
209	H	85.4	Confident	91.1	Very high	79 Å²	79	15.7 Å²	15.7	37%	0.366	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.4	171.1	-87.2	-83.9	0	0	0	113.9	R142 I143 F144 N211	R142-H209 VanDerWaalsContact CD-CD2 3.41Å; R142-H209 WeakPolarHBondContact CD-CD2 3.5Å; R142-H209 PolarHBondContact O-N 3.01Å; I143-H209 PolarHBondContact O-CD2 3.47Å; I143-H209 VanDerWaalsContact O-CD2 3.26Å; I143-H209 PolarHBondContact O-NE2 2.79Å; F144-H209 AromaticContact CD2-CE1 3.91Å; H209-N211 VanDerWaalsContact C-N 3.27Å
210	Q	79.6	Confident	91	Very high	137 Å²	137	15.5 Å²	15.5	64%	0.64	8%	0.077	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	12.1	174.1	-63.7	171.1	-10	0	0	112.5	T208 Q212	T208-Q210 PolarHBondContact O-N 3.12Å; T208-Q210 VanDerWaalsContact O-N 3.1Å; T208-Q210 PolarHBondContact OG1-N 3.35Å; Q210-Q212 HydrophobicContact CB-CG 4.04Å; Q210-Q212 PolarHBondContact O-N 3.15Å; Q210-Q212 PolarHBondContact O-NE2 3.5Å
211	N	84.8	Confident	90.8	Very high	44 Å²	44	15.5 Å²	15.5	24%	0.235	8%	0.076	C	C	.	.	S	Bend	trans	59.6	28.1	-175.7	-62.4	-59.6	0	0	0	114.6	T208 H209 R515	T208-N211 PolarHBondContact O-N 3Å; H209-N211 VanDerWaalsContact C-N 3.27Å; N211-R515 VanDerWaalsContact CG-NH2 3.28Å; N211-R515 PolarHBondContact ND2-NH2 3.23Å
212	Q	88.9	Confident	90.6	Very high	5 Å²	5	17.2 Å²	17.2	2%	0.023	8%	0.084	C	C	.	.			trans	-91.1	137.2	175.8	-52.6	-53.2	-44	0	0	110.6	I207 T208 Q210 I483	I207-Q212 CarbonylContact C-O 3.55Å; I207-Q212 WeakPolarHBondContact CA-O 3.41Å; T208-Q212 HydrophobicContact CG2-CB 4.15Å; T208-Q212 PolarHBondContact N-O 3.47Å; T208-Q212 WeakPolarHBondContact OG1-CB 3.27Å; T208-Q212 PolarHBondContact OG1-N 2.85Å; T208-Q212 VanDerWaalsContact OG1-N 3.12Å; Q210-Q212 HydrophobicContact CB-CG 4.04Å; Q210-Q212 PolarHBondContact O-N 3.15Å; Q210-Q212 PolarHBondContact O-NE2 3.5Å; Q212-I483 VanDerWaalsContact CD-CG2 3.43Å; Q212-I483 HydrophobicContact CG-CG2 4Å
213	W	94.5	Very high	90.3	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.011	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.3	-179.8	-70.2	37.4	0	0	0	109.4	L147 F170 L182 I205 L206 I207 L328	L147-W213 HydrophobicContact CD1-CH2 4.2Å; L147-W213 HydrophobicContact CD1-CZ2 4.49Å; L147-W213 HydrophobicContact CD2-CH2 4.16Å; L147-W213 HydrophobicContact CD2-CZ3 3.88Å; F170-W213 AromaticContact CE1-CZ2 3.93Å; F170-W213 HydrophobicContact CE1-CZ2 3.93Å; F170-W213 AromaticContact CZ-CZ2 3.94Å; F170-W213 HydrophobicContact CZ-CZ2 3.94Å; L182-W213 HydrophobicContact CD1-CE3 3.72Å; L182-W213 HydrophobicContact CD1-CZ3 3.87Å; L182-W213 HydrophobicContact CG-CE3 4.08Å; I205-W213 HydrophobicContact CG2-CD2 4.35Å; I205-W213 HydrophobicContact CG2-CE3 3.86Å; L206-W213 CarbonylContact O-C 3.55Å; L206-W213 WeakPolarHBondContact O-CA 3.49Å; I207-W213 HydrophobicContact CD1-CZ2 4.36Å; I207-W213 HydrophobicContact CG1-CG 4.4Å; W213-L328 HydrophobicContact CH2-CD1 3.54Å; W213-L328 HydrophobicContact CH2-CD2 3.58Å; W213-L328 HydrophobicContact CH2-CG 4.2Å; W213-L328 HydrophobicContact CZ2-CD2 4.32Å; W213-L328 HydrophobicContact CZ3-CD1 3.95Å; W213-L328 HydrophobicContact CZ3-CD2 4.49Å
214	R	94.8	Very high	89.7	Confident	26 Å²	26	20.8 Å²	20.8	10%	0.098	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.6	-178.1	-59.1	-60.1	-179.8	110.2	-1.7	109.7	P120 N121 M122 E141 L206 T208 G216	P120-R214 PolarHBondContact O-NE 3.31Å; P120-R214 PolarHBondContact O-NH1 2.98Å; P120-R214 PolarHBondContact O-NH2 3.42Å; N121-R214 WeakPolarHBondContact O-CA 3.2Å; M122-R214 PolarHBondContact O-NH1 3.04Å; M122-R214 VanDerWaalsContact O-NH1 3.1Å; E141-R214 IonicContact OE1-CZ 3.78Å; E141-R214 IonicContact OE1-NE 2.77Å; E141-R214 IonicContact OE1-NH1 3.9Å; E141-R214 PolarHBondContact OE1-NH1 2.92Å; E141-R214 IonicContact OE2-CZ 2.63Å; E141-R214 VanDerWaalsContact OE2-CZ 3.23Å; E141-R214 IonicContact OE2-NE 3.83Å; E141-R214 IonicContact OE2-NH1 2.84Å; E141-R214 PolarHBondContact OE2-NH1 3.33Å; E141-R214 IonicContact OE2-NH2 2.73Å; E141-R214 PolarHBondContact OE2-NH2 3.21Å; L206-R214 PolarHBondContact N-O 3.02Å; L206-R214 PolarHBondContact O-N 2.84Å; T208-R214 HydrophobicContact CG2-CG 3.69Å; R214-G216 PolarHBondContact O-N 3.27Å
215	L	94.8	Very high	88.5	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	112	166	-169.6	69.6	0	0	0	108.8	N121 L123 L185 L189 I205 S217	N121-L215 PolarHBondContact O-N 3.36Å; N121-L215 VanDerWaalsContact O-N 3.09Å; L123-L215 WeakPolarHBondContact CB-O 3.35Å; L123-L215 PolarHBondContact N-O 3.02Å; L185-L215 HydrophobicContact CD2-CB 3.23Å; L185-L215 HydrophobicContact CD2-CD2 3.56Å; L185-L215 HydrophobicContact CD2-CG 4Å; L185-L215 HydrophobicContact CG-CD2 4.47Å; L189-L215 HydrophobicContact CD1-CD2 4.43Å; I205-L215 HydrophobicContact CG1-CD1 4.44Å; L215-S217 WeakPolarHBondContact CG-O 3.44Å
216	G	91	Very high	86.7	Confident	7 Å²	7	30.7 Å²	30.7	7%	0.072	16%	0.164	C	C	.	.			trans	-101.5	20.6	-176.6	0	0	0	0	0	114.2	S204 R214	S204-G216 PolarHBondContact O-N 3.03Å; R214-G216 PolarHBondContact O-N 3.27Å
217	S	88	Confident	84.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.			trans	-142.5	141.8	174.1	-178	0	0	0	0	108.1	D110 H197 L215	D110-S217 WeakPolarHBondContact OD1-CA 3.42Å; H197-S217 PolarHBondContact CD2-O 3.34Å; H197-S217 PolarHBondContact NE2-O 3.44Å; L215-S217 WeakPolarHBondContact CG-O 3.44Å
218	A	88.9	Confident	82.6	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.			trans	-137.6	1.6	172	0	0	0	0	0	111.1	D110 L113 L114 F220 I221	D110-A218 PolarHBondContact OD1-N 3.44Å; L113-A218 HydrophobicContact CB-CB 3.7Å; L113-A218 WeakPolarHBondContact CD1-O 3.31Å; L114-A218 HydrophobicContact CD2-CB 3.86Å; L114-A218 HydrophobicContact CG-CB 3.91Å; A218-F220 PolarHBondContact O-N 3.17Å; A218-I221 HydrophobicContact CB-CD1 3.58Å; A218-I221 HydrophobicContact CB-CG1 4.33Å; A218-I221 WeakPolarHBondContact O-CG1 3.41Å; A218-I221 PolarHBondContact O-N 3.33Å
219	A	85.7	Confident	80.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-18.2	-174.5	0	0	0	0	0	116.8	V106 R109 D110	V106-A219 HydrophobicContact CG1-CB 3.88Å; R109-A219 PolarHBondContact NE-O 3.22Å; R109-A219 PolarHBondContact NH2-O 3.46Å; D110-A219 HydrophobicContact CB-CB 3.7Å; D110-A219 PolarHBondContact OD1-N 2.95Å
220	F	90.4	Very high	78.6	Confident	1 Å²	1	58.1 Å²	58.1	0%	0.004	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	9.3	-171.6	-57.8	-58.8	0	0	0	114.1	P63 V106 H197 N198 N199 A218 E222 P240 A249 Q250 P251	P63-F220 HydrophobicContact CB-CE2 4.48Å; P63-F220 HydrophobicContact CG-CE2 3.77Å; P63-F220 HydrophobicContact CG-CZ 4.04Å; V106-F220 HydrophobicContact CG1-CE1 3.87Å; V106-F220 HydrophobicContact CG1-CZ 4.2Å; H197-F220 CarbonylContact O-C 3.46Å; N198-F220 HydrophobicContact CB-CB 4.41Å; N198-F220 WeakPolarHBondContact CB-O 3.48Å; N199-F220 HydrophobicContact CB-CB 4.17Å; N199-F220 HydrophobicContact CB-CD2 3.46Å; N199-F220 VanDerWaalsContact CB-CD2 3.46Å; N199-F220 HydrophobicContact CB-CE2 4.27Å; N199-F220 HydrophobicContact CB-CG 4.24Å; N199-F220 WeakPolarHBondContact ND2-CD2 3.25Å; N199-F220 WeakPolarHBondContact ND2-CE2 3.39Å; A218-F220 PolarHBondContact O-N 3.17Å; F220-E222 PolarHBondContact O-N 2.98Å; F220-P240 HydrophobicContact CB-CG 4.18Å; F220-P240 HydrophobicContact CD1-CB 3.49Å; F220-P240 VanDerWaalsContact CD1-CB 3.49Å; F220-P240 HydrophobicContact CD1-CG 4.06Å; F220-P240 HydrophobicContact CE1-CB 4.07Å; F220-P240 HydrophobicContact CG-CB 4.33Å; F220-P240 HydrophobicContact CG-CG 4.46Å; F220-A249 VanDerWaalsContact CE1-O 3.3Å; F220-A249 WeakPolarHBondContact CE1-O 3.44Å; F220-Q250 VanDerWaalsContact CZ-C 3.48Å; F220-Q250 WeakPolarHBondContact CZ-O 3.49Å; F220-P251 HydrophobicContact CB-CG 4.33Å; F220-P251 HydrophobicContact CD1-CG 4.19Å; F220-P251 HydrophobicContact CD2-CB 4.36Å; F220-P251 HydrophobicContact CD2-CG 4.22Å; F220-P251 HydrophobicContact CG-CG 3.99Å
221	I	91	Very high	77.2	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	27%	0.274	C	S	.	.			trans	-54.7	135.9	178.9	-69.7	175.2	0	0	0	110.8	L117 L195 F196 A218 L236	L117-I221 HydrophobicContact CD1-CD1 3.46Å; L117-I221 VanDerWaalsContact CD1-CD1 3.46Å; L195-I221 HydrophobicContact CB-CG2 3.92Å; L195-I221 HydrophobicContact CD1-CG2 3.95Å; L195-I221 HydrophobicContact CD2-CG2 4.03Å; L195-I221 HydrophobicContact CG-CG2 4.16Å; F196-I221 WeakPolarHBondContact O-CA 3.39Å; A218-I221 HydrophobicContact CB-CD1 3.58Å; A218-I221 HydrophobicContact CB-CG1 4.33Å; A218-I221 WeakPolarHBondContact O-CG1 3.41Å; A218-I221 PolarHBondContact O-N 3.33Å; I221-L236 HydrophobicContact CG2-CD2 4.16Å
222	E	87.6	Confident	75.7	Confident	35 Å²	35	57.3 Å²	57.3	16%	0.164	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	160.2	174.3	-78.7	-170.8	-166.2	0	0	110.5	L195 F196 F220 S239 P240	L195-E222 WeakPolarHBondContact CA-O 3.25Å; F196-E222 HydrophobicContact CD1-CB 4.19Å; F196-E222 WeakPolarHBondContact CD1-O 3.36Å; F196-E222 HydrophobicContact CE1-CB 3.44Å; F196-E222 VanDerWaalsContact CE1-CB 3.44Å; F196-E222 HydrophobicContact CE2-CB 4.08Å; F196-E222 HydrophobicContact CZ-CB 3.38Å; F196-E222 HydrophobicContact CZ-CG 4.25Å; F196-E222 WeakPolarHBondContact CZ-OE2 3.46Å; F196-E222 PolarHBondContact N-O 3.07Å; F196-E222 PolarHBondContact O-N 3.4Å; F196-E222 VanDerWaalsContact O-N 3.1Å; F220-E222 PolarHBondContact O-N 2.98Å; E222-S239 WeakPolarHBondContact OE1-CA 3.25Å; E222-S239 VanDerWaalsContact OE1-CB 3.26Å; E222-S239 WeakPolarHBondContact OE1-CB 3.41Å; E222-S239 PolarHBondContact OE1-OG 2.91Å; E222-P240 WeakPolarHBondContact OE1-CD 3.31Å
223	S	85.2	Confident	74.5	Confident	29 Å²	29	63.9 Å²	63.9	20%	0.203	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	142.3	177.7	173.9	0	0	0	0	111.6	C225 I231	S223-C225 PolarHBondContact OG-N 3Å; S223-C225 PolarHBondContact OG-O 3.31Å; S223-I231 WeakPolarHBondContact OG-CD1 3.35Å
224	T	79.9	Confident	73.2	Confident	62 Å²	62	65.5 Å²	65.5	38%	0.38	34%	0.339	S	S	.	.	S	Bend	trans	-77.1	-27.3	170.8	-50.1	0	0	0	0	111.4	S194 P314	S194-T224 VanDerWaalsContact O-CB 3.25Å; S194-T224 WeakPolarHBondContact O-CB 3.34Å; S194-T224 PolarHBondContact O-N 3.44Å; S194-T224 PolarHBondContact O-OG1 3.49Å; T224-P314 HydrophobicContact CG2-CG 3.88Å
225	C	69.2	Low	71.8	Confident	66 Å²	66	70.3 Å²	70.3	45%	0.446	36%	0.362	S	S	.	.			trans	-90.4	128.5	179.3	-59.9	0	0	0	0	110.9	S223	S223-C225 PolarHBondContact OG-N 3Å; S223-C225 PolarHBondContact OG-O 3.31Å
226	L	58.8	Low	70.8	Confident	143 Å²	143	72.6 Å²	72.6	75%	0.749	38%	0.375	S	S	*	.			trans	-82.7	-25.7	177.3	-71.9	165.6	0	0	0	112.9	K228	L226-K228 PolarHBondContact O-N 3.18Å
227	E	54.4	Low	69.6	Low	164 Å²	164	73.7 Å²	73.7	77%	0.766	39%	0.385	S	S	*	.			trans	-75.7	111.2	-178.9	-66.1	-178.1	-173.7	0	0	109.4	H229	E227-H229 PolarHBondContact O-N 2.92Å
228	K	49.8	Very low	68.5	Low	179 Å²	179	77.9 Å²	77.9	78%	0.778	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	4.7	-168.8	-70.1	-176.2	175.8	179.5	0	115.2	L226 D230	L226-K228 PolarHBondContact O-N 3.18Å; K228-D230 PolarHBondContact O-N 3.27Å
229	H	47.3	Very low	67.8	Low	172 Å²	172	80.3 Å²	80.3	80%	0.796	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-28.5	-164	-78.8	-67.5	0	0	0	114.5	E227	E227-H229 PolarHBondContact O-N 2.92Å
230	D	46.6	Very low	67.3	Low	143 Å²	143	80.4 Å²	80.4	77%	0.765	43%	0.43	S	S	*	.	S	Bend	trans	-111.8	-6.3	-173.9	-69	-30.5	0	0	0	115.8	K228 S232	K228-D230 PolarHBondContact O-N 3.27Å; D230-S232 PolarHBondContact O-N 3.4Å
231	I	50.2	Low	66.6	Low	47 Å²	47	80.5 Å²	80.5	24%	0.241	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-84.5	24.5	-171.5	-44.5	157.6	0	0	0	112.3	S223 Q233 Y234 L236	S223-I231 WeakPolarHBondContact OG-CD1 3.35Å; I231-Q233 PolarHBondContact O-N 3.39Å; I231-Y234 PolarHBondContact O-N 3.27Å; I231-L236 HydrophobicContact CG2-CD1 3.72Å; I231-L236 HydrophobicContact CG2-CG 4.42Å
232	S	52.7	Low	65.8	Low	117 Å²	117	81.5 Å²	81.5	82%	0.818	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-59.9	-17.1	178.7	62.4	0	0	0	0	113.8	D230	D230-S232 PolarHBondContact O-N 3.4Å
233	Q	63.2	Low	64.8	Low	142 Å²	142	84.4 Å²	84.4	66%	0.664	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-75	-32.7	-174.4	-62.1	-174.8	0.2	0	0	113.9	I231	I231-Q233 PolarHBondContact O-N 3.39Å
234	Y	67	Low	64.2	Low	38 Å²	38	91.9 Å²	91.9	15%	0.149	48%	0.475	C	S	.	.	S	Bend	trans	-121.8	124.2	-174.5	-53.3	-66.5	0	0	0	111.1	L113 Q116 L117 Q193 L195 I231 L236	L113-Y234 HydrophobicContact CD2-CD1 4.42Å; Q116-Y234 HydrophobicContact CB-CD1 4.44Å; Q116-Y234 HydrophobicContact CB-CE1 4.14Å; L117-Y234 HydrophobicContact CD2-CE1 3.94Å; L117-Y234 HydrophobicContact CD2-CE2 4.45Å; L117-Y234 HydrophobicContact CG-CE1 4.46Å; Q193-Y234 PolarHBondContact OE1-OH 2.91Å; L195-Y234 HydrophobicContact CD1-CD2 4.25Å; L195-Y234 HydrophobicContact CD1-CE2 4.23Å; I231-Y234 PolarHBondContact O-N 3.27Å; Y234-L236 VanDerWaalsContact C-N 3.25Å; Y234-L236 PolarHBondContact O-N 3.48Å
235	E	66.2	Low	64	Low	126 Å²	126	91.3 Å²	91.3	59%	0.589	47%	0.466	S	S	*	.			trans	-72.6	80.3	172.6	-76.8	175.6	-145.6	0	0	110.5	R112	R112-E235 IonicContact CZ-OE1 3.18Å; R112-E235 IonicContact CZ-OE2 3.99Å; R112-E235 IonicContact NH1-OE1 3.21Å; R112-E235 PolarHBondContact NH1-OE1 3.49Å; R112-E235 IonicContact NH1-OE2 3.32Å; R112-E235 PolarHBondContact NH1-OE2 3.48Å; R112-E235 VanDerWaalsContact NH2-CD 3.3Å; R112-E235 IonicContact NH2-OE1 2.78Å; R112-E235 PolarHBondContact NH2-OE1 3.05Å; R112-E235 IonicContact NH2-OE2 3.23Å
236	L	73.4	Confident	64.5	Low	52 Å²	52	88.6 Å²	88.6	27%	0.272	45%	0.448	S	S	.	.			trans	-73.6	129	176.4	-59.8	178.7	0	0	0	110.2	L195 I221 I231 Y234	L195-L236 HydrophobicContact CD2-CD1 4.2Å; I221-L236 HydrophobicContact CG2-CD2 4.16Å; I231-L236 HydrophobicContact CG2-CD1 3.72Å; I231-L236 HydrophobicContact CG2-CG 4.42Å; Y234-L236 VanDerWaalsContact C-N 3.25Å; Y234-L236 PolarHBondContact O-N 3.48Å
237	G	65.3	Low	65.4	Low	29 Å²	29	89.1 Å²	89.1	30%	0.299	44%	0.444	S	S	.	.			trans	-77.3	177.4	-179.7	0	0	0	0	0	113.6
238	P	66.4	Low	66.7	Low	88 Å²	88	81.8 Å²	81.8	57%	0.571	41%	0.41	S	S	*	.	S	Bend	trans	-63.3	157.9	171	30.6	-35.4	0	0	0	110.5	W245	P238-W245 HydrophobicContact CG-CH2 3.71Å; P238-W245 HydrophobicContact CG-CZ2 3.63Å
239	S	73.1	Confident	68.4	Low	52 Å²	52	73.2 Å²	73.2	36%	0.364	37%	0.373	S	S	.	.			trans	-56.2	131.2	-179.7	-171.7	0	0	0	0	111.1	E222 W241	E222-S239 WeakPolarHBondContact OE1-CA 3.25Å; E222-S239 VanDerWaalsContact OE1-CB 3.26Å; E222-S239 WeakPolarHBondContact OE1-CB 3.41Å; E222-S239 PolarHBondContact OE1-OG 2.91Å; S239-W241 PolarHBondContact O-N 3.33Å
240	P	76.4	Confident	70.1	Confident	1 Å²	1	67 Å²	67	1%	0.006	34%	0.344	C	S	.	.	S	Bend	trans	-77.7	-10.1	-171.3	35.8	-36.7	0	0	0	112	N198 F220 E222 T242 W245 P251	N198-P240 WeakPolarHBondContact ND2-CG 3.46Å; F220-P240 HydrophobicContact CB-CG 4.18Å; F220-P240 HydrophobicContact CD1-CB 3.49Å; F220-P240 VanDerWaalsContact CD1-CB 3.49Å; F220-P240 HydrophobicContact CD1-CG 4.06Å; F220-P240 HydrophobicContact CE1-CB 4.07Å; F220-P240 HydrophobicContact CG-CB 4.33Å; F220-P240 HydrophobicContact CG-CG 4.46Å; E222-P240 WeakPolarHBondContact OE1-CD 3.31Å; P240-T242 PolarHBondContact O-N 2.69Å; P240-W245 HydrophobicContact CB-CZ3 4.44Å; P240-P251 HydrophobicContact CB-CG 3.99Å; P240-P251 HydrophobicContact CG-CG 3.77Å
241	W	75.5	Confident	72	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.011	31%	0.31	C	S	.	.			trans	-77.8	64.7	178.6	-63.5	112.5	0	0	0	112.2	N198 S239 P251 S256 C260 L261 L263 I264 N267	N198-W241 PolarHBondContact ND2-NE1 3.2Å; N198-W241 PolarHBondContact OD1-NE1 2.95Å; S239-W241 PolarHBondContact O-N 3.33Å; W241-P251 HydrophobicContact CD2-CG 4.37Å; W241-P251 HydrophobicContact CH2-CB 3.64Å; W241-P251 HydrophobicContact CH2-CG 3.92Å; W241-P251 HydrophobicContact CZ2-CB 3.66Å; W241-P251 HydrophobicContact CZ2-CG 3.67Å; W241-P251 HydrophobicContact CZ3-CB 4.37Å; W241-P251 HydrophobicContact CZ3-CG 4.36Å; W241-S256 WeakPolarHBondContact CH2-OG 3.27Å; W241-C260 HydrophobicContact CD2-CB 4.3Å; W241-C260 HydrophobicContact CH2-CB 4.16Å; W241-C260 HydrophobicContact CZ2-CB 3.53Å; W241-L261 HydrophobicContact CE3-CD2 4.22Å; W241-L261 HydrophobicContact CH2-CD2 4.11Å; W241-L261 HydrophobicContact CZ3-CD2 3.6Å; W241-L263 HydrophobicContact CB-CB 4.14Å; W241-I264 HydrophobicContact CB-CG1 4.36Å; W241-I264 HydrophobicContact CE3-CD1 3.7Å; W241-I264 HydrophobicContact CE3-CG1 3.95Å; W241-I264 HydrophobicContact CZ3-CD1 4.04Å; W241-N267 PolarHBondContact O-ND2 3.2Å
242	T	72.8	Confident	73.6	Confident	24 Å²	24	60.2 Å²	60.2	15%	0.147	31%	0.309	C	S	.	.			trans	-131.5	133.8	-179.4	-178.6	0	0	0	0	113.4	P240 K244 W245 Q250	P240-T242 PolarHBondContact O-N 2.69Å; T242-K244 PolarHBondContact O-N 2.88Å; T242-K244 PolarHBondContact OG1-N 3.46Å; T242-W245 HydrophobicContact CG2-CB 3.92Å; T242-W245 HydrophobicContact CG2-CD2 3.62Å; T242-W245 HydrophobicContact CG2-CE3 4.15Å; T242-W245 HydrophobicContact CG2-CG 3.47Å; T242-W245 VanDerWaalsContact CG2-CG 3.47Å; T242-W245 PolarHBondContact O-N 3.19Å; T242-Q250 PolarHBondContact O-NE2 3.42Å; T242-Q250 VanDerWaalsContact O-NE2 3.09Å
243	R	67.6	Low	74.9	Confident	96 Å²	96	57.5 Å²	57.5	36%	0.362	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.2	175.1	-60.3	-175.7	-169.7	-169.4	-1.2	113.2	W245 I264 N265 W418	R243-W245 VanDerWaalsContact C-N 3.29Å; R243-W245 PolarHBondContact O-N 3.21Å; R243-I264 HydrophobicContact CG-CG2 3.67Å; R243-I264 PolarHBondContact NE-O 3.49Å; R243-I264 PolarHBondContact NH2-O 2.96Å; R243-N265 PolarHBondContact NH2-OD1 3.4Å; R243-W418 VanDerWaalsContact NH2-NE1 3.19Å
244	K	72.2	Confident	75.6	Confident	186 Å²	186	54 Å²	54	81%	0.809	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-23.4	-177.6	-64.1	-177.1	179.8	178.1	0	112.2	T242	T242-K244 PolarHBondContact O-N 2.88Å; T242-K244 PolarHBondContact OG1-N 3.46Å
245	W	76.3	Confident	76.6	Confident	49 Å²	49	52.7 Å²	52.7	19%	0.186	27%	0.267	C	S	.	.	S	Bend	trans	-91.4	151.8	-176.3	-71.9	6.3	0	0	0	111.8	I102 V106 P238 P240 T242 R243 A249 Q250	I102-W245 HydrophobicContact CG2-CD2 3.97Å; I102-W245 HydrophobicContact CG2-CG 3.95Å; V106-W245 HydrophobicContact CG2-CH2 4.34Å; V106-W245 HydrophobicContact CG2-CZ3 3.96Å; P238-W245 HydrophobicContact CG-CH2 3.71Å; P238-W245 HydrophobicContact CG-CZ2 3.63Å; P240-W245 HydrophobicContact CB-CZ3 4.44Å; T242-W245 HydrophobicContact CG2-CB 3.92Å; T242-W245 HydrophobicContact CG2-CD2 3.62Å; T242-W245 HydrophobicContact CG2-CE3 4.15Å; T242-W245 HydrophobicContact CG2-CG 3.47Å; T242-W245 VanDerWaalsContact CG2-CG 3.47Å; T242-W245 PolarHBondContact O-N 3.19Å; R243-W245 VanDerWaalsContact C-N 3.29Å; R243-W245 PolarHBondContact O-N 3.21Å; W245-A249 HydrophobicContact CB-CB 4.3Å; W245-A249 HydrophobicContact CE3-CB 4.27Å; W245-A249 VanDerWaalsContact CE3-O 3.28Å; W245-Q250 HydrophobicContact CB-CG 4.3Å; W245-Q250 PolarHBondContact O-NE2 3.04Å
246	P	79.2	Confident	77.5	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.058	24%	0.24	C	C	.	.			trans	-66.9	157.8	172	28.3	-33.2	0	0	0	111.5	R99 V103 M248 A249 Q250	R99-P246 HydrophobicContact CB-CB 4.31Å; R99-P246 HydrophobicContact CB-CG 4.08Å; R99-P246 HydrophobicContact CG-CB 3.94Å; R99-P246 HydrophobicContact CG-CG 4Å; V103-P246 HydrophobicContact CG2-CB 4.5Å; V103-P246 HydrophobicContact CG2-CG 3.58Å; P246-M248 PolarHBondContact O-N 3.29Å; P246-A249 HydrophobicContact CG-CB 3.91Å; P246-A249 CarbonylContact O-C 3.59Å; P246-A249 WeakPolarHBondContact O-CA 3.02Å; P246-A249 PolarHBondContact O-N 3.35Å; P246-Q250 PolarHBondContact O-N 3.37Å
247	K	77	Confident	78.1	Confident	155 Å²	155	44.4 Å²	44.4	67%	0.674	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-53.5	-38.8	177.8	-69.9	-173.3	176.6	-175.1	0	113.4	A249 Q250	K247-A249 PolarHBondContact O-N 3.12Å; K247-A249 VanDerWaalsContact O-N 3.12Å; K247-Q250 PolarHBondContact O-N 2.93Å
248	M	81.8	Confident	78.9	Confident	9 Å²	9	43.8 Å²	43.8	4%	0.044	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63.3	-14.8	176.7	-66.1	164.4	71	0	0	114	P63 E64 I66 F86 I90 A91 L94 V103 P246	P63-M248 WeakPolarHBondContact CB-O 3.35Å; E64-M248 HydrophobicContact CB-CG 4.07Å; E64-M248 HydrophobicContact CG-CG 4.07Å; I66-M248 HydrophobicContact CB-CE 4.26Å; I66-M248 HydrophobicContact CG2-CE 3.37Å; I66-M248 HydrophobicContact CG2-CG 4.03Å; I66-M248 HydrophobicContact CG2-SD 4.37Å; F86-M248 HydrophobicContact CE2-CE 3.83Å; F86-M248 HydrophobicContact CZ-CE 4.21Å; I90-M248 HydrophobicContact CG2-CE 4.04Å; A91-M248 HydrophobicContact CB-CE 4.17Å; L94-M248 HydrophobicContact CD1-SD 4.27Å; V103-M248 HydrophobicContact CG1-CB 4.28Å; V103-M248 HydrophobicContact CG1-CE 4.14Å; V103-M248 HydrophobicContact CG2-CB 3.87Å; P246-M248 PolarHBondContact O-N 3.29Å
249	A	85.4	Confident	79.6	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-111	14.3	176.5	0	0	0	0	0	111.9	I102 V103 V106 F220 W245 P246 K247	I102-A249 HydrophobicContact CG2-CB 3.98Å; V103-A249 HydrophobicContact CG2-CB 4.19Å; V106-A249 HydrophobicContact CG2-CB 4.18Å; F220-A249 VanDerWaalsContact CE1-O 3.3Å; F220-A249 WeakPolarHBondContact CE1-O 3.44Å; W245-A249 HydrophobicContact CB-CB 4.3Å; W245-A249 HydrophobicContact CE3-CB 4.27Å; W245-A249 VanDerWaalsContact CE3-O 3.28Å; P246-A249 HydrophobicContact CG-CB 3.91Å; P246-A249 CarbonylContact O-C 3.59Å; P246-A249 WeakPolarHBondContact O-CA 3.02Å; P246-A249 PolarHBondContact O-N 3.35Å; K247-A249 PolarHBondContact O-N 3.12Å; K247-A249 VanDerWaalsContact O-N 3.12Å
250	Q	84.7	Confident	80	Confident	40 Å²	40	37.6 Å²	37.6	19%	0.187	18%	0.176	C	C	.	.	S	Bend	trans	-117	155.9	176.5	-67.1	179.2	28.9	0	0	110.1	F220 T242 W245 P246 K247	F220-Q250 VanDerWaalsContact CZ-C 3.48Å; F220-Q250 WeakPolarHBondContact CZ-O 3.49Å; T242-Q250 PolarHBondContact O-NE2 3.42Å; T242-Q250 VanDerWaalsContact O-NE2 3.09Å; W245-Q250 HydrophobicContact CB-CG 4.3Å; W245-Q250 PolarHBondContact O-NE2 3.04Å; P246-Q250 PolarHBondContact O-N 3.37Å; K247-Q250 PolarHBondContact O-N 2.93Å
251	P	86	Confident	79.7	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.052	18%	0.177	C	C	.	.			trans	-67	158.5	173	-16.6	32.8	0	0	0	111.7	N198 N199 F220 P240 W241 C253	N198-P251 WeakPolarHBondContact O-CB 3.19Å; N199-P251 HydrophobicContact CB-CB 4.03Å; N199-P251 WeakPolarHBondContact OD1-CA 3.33Å; F220-P251 HydrophobicContact CB-CG 4.33Å; F220-P251 HydrophobicContact CD1-CG 4.19Å; F220-P251 HydrophobicContact CD2-CB 4.36Å; F220-P251 HydrophobicContact CD2-CG 4.22Å; F220-P251 HydrophobicContact CG-CG 3.99Å; P240-P251 HydrophobicContact CB-CG 3.99Å; P240-P251 HydrophobicContact CG-CG 3.77Å; W241-P251 HydrophobicContact CD2-CG 4.37Å; W241-P251 HydrophobicContact CH2-CB 3.64Å; W241-P251 HydrophobicContact CH2-CG 3.92Å; W241-P251 HydrophobicContact CZ2-CB 3.66Å; W241-P251 HydrophobicContact CZ2-CG 3.67Å; W241-P251 HydrophobicContact CZ3-CB 4.37Å; W241-P251 HydrophobicContact CZ3-CG 4.36Å; P251-C253 PolarHBondContact O-N 3.28Å; P251-C253 VanDerWaalsContact O-N 3.15Å
252	D	83.7	Confident	79.4	Confident	41 Å²	41	41 Å²	41	22%	0.219	19%	0.194	C	C	.	.			trans	-72.7	107.4	178.3	-170.8	-9.7	0	0	0	111.1	N199 H254 Y255 S256	N199-D252 PolarHBondContact OD1-N 3.25Å; D252-H254 PolarHBondContact O-N 3.47Å; D252-H254 WeakPolarHBondContact OD1-CB 3.23Å; D252-H254 IonicContact OD1-CE1 3.53Å; D252-H254 IonicContact OD1-CG 3.53Å; D252-H254 PolarHBondContact OD1-N 3.02Å; D252-H254 IonicContact OD1-ND1 2.87Å; D252-H254 PolarHBondContact OD1-ND1 3.46Å; D252-Y255 PolarHBondContact O-N 3.31Å; D252-S256 PolarHBondContact O-N 2.88Å; D252-S256 PolarHBondContact O-OG 3.13Å
253	C	79.9	Confident	78.8	Confident	59 Å²	59	42 Å²	42	40%	0.399	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.3	-179.6	64.9	0	0	0	0	114.1	P251 Y255 L261	P251-C253 PolarHBondContact O-N 3.28Å; P251-C253 VanDerWaalsContact O-N 3.15Å; C253-Y255 VanDerWaalsContact C-N 3.31Å; C253-L261 HydrophobicContact CB-CD2 3.92Å
254	H	78.7	Confident	78.3	Confident	69 Å²	69	38.3 Å²	38.3	32%	0.319	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.9	176.8	-54.2	100.3	0	0	0	113.3	D252 L342 F425	D252-H254 PolarHBondContact O-N 3.47Å; D252-H254 WeakPolarHBondContact OD1-CB 3.23Å; D252-H254 IonicContact OD1-CE1 3.53Å; D252-H254 IonicContact OD1-CG 3.53Å; D252-H254 PolarHBondContact OD1-N 3.02Å; D252-H254 IonicContact OD1-ND1 2.87Å; D252-H254 PolarHBondContact OD1-ND1 3.46Å; H254-L342 HydrophobicContact CB-CD1 4.11Å; H254-F425 WeakPolarHBondContact O-CE2 3.15Å; H254-F425 WeakPolarHBondContact O-CZ 3.42Å
255	Y	87	Confident	77.4	Confident	10 Å²	10	31.2 Å²	31.2	4%	0.039	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-2.1	176.2	-71	-87.6	0	0	0	112.4	P202 D252 C253 S320 L323 I324	P202-Y255 HydrophobicContact CG-CD1 4.47Å; P202-Y255 HydrophobicContact CG-CE1 3.77Å; P202-Y255 HydrophobicContact CG-CE2 3.86Å; P202-Y255 VanDerWaalsContact CG-CZ 3.43Å; P202-Y255 WeakPolarHBondContact CG-OH 3.49Å; D252-Y255 PolarHBondContact O-N 3.31Å; C253-Y255 VanDerWaalsContact C-N 3.31Å; Y255-S320 VanDerWaalsContact O-CA 3.31Å; Y255-S320 WeakPolarHBondContact O-CA 3.45Å; Y255-S320 VanDerWaalsContact O-CB 3.25Å; Y255-S320 WeakPolarHBondContact O-CB 3.33Å; Y255-S320 PolarHBondContact O-OG 3.04Å; Y255-L323 HydrophobicContact CD1-CB 3.82Å; Y255-L323 HydrophobicContact CD1-CD1 4.5Å; Y255-L323 HydrophobicContact CE1-CB 4.21Å; Y255-I324 HydrophobicContact CD1-CG1 3.98Å; Y255-I324 HydrophobicContact CE1-CG1 4.12Å
256	S	84.7	Confident	75.9	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.028	16%	0.162	C	C	.	.	S	Bend	trans	-82.9	147.6	-175	-64.3	0	0	0	0	113.1	W241 D252	W241-S256 WeakPolarHBondContact CH2-OG 3.27Å; D252-S256 PolarHBondContact O-N 2.88Å; D252-S256 PolarHBondContact O-OG 3.13Å
257	A	87.5	Confident	74	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.			trans	-69.5	156.1	176.7	0	0	0	0	0	112.4	E259 C260 F319	A257-E259 VanDerWaalsContact C-N 3.29Å; A257-E259 VanDerWaalsContact CB-CD 3.46Å; A257-E259 HydrophobicContact CB-CG 4.46Å; A257-E259 VanDerWaalsContact CB-OE1 3.29Å; A257-E259 WeakPolarHBondContact CB-OE1 3.19Å; A257-E259 WeakPolarHBondContact CB-OE2 3.5Å; A257-E259 PolarHBondContact O-N 2.88Å; A257-C260 WeakPolarHBondContact O-CB 3.4Å; A257-C260 PolarHBondContact O-N 3.39Å; A257-C260 VanDerWaalsContact O-N 3.15Å; A257-F319 VanDerWaalsContact CA-CD1 3.49Å; A257-F319 HydrophobicContact CB-CB 3.86Å; A257-F319 HydrophobicContact CB-CD1 3.83Å; A257-F319 HydrophobicContact CB-CE1 4.5Å; A257-F319 HydrophobicContact CB-CG 3.88Å
258	P	81.3	Confident	72	Confident	16 Å²	16	33.1 Å²	33.1	10%	0.104	18%	0.178	C	C	.	.	H	α-helix	trans	-57.3	-39.5	-178.1	-25.2	35.1	0	0	0	113.6	C260 L261 N262 F319 M426	P258-C260 VanDerWaalsContact C-N 3.28Å; P258-C260 PolarHBondContact O-N 3.44Å; P258-L261 PolarHBondContact O-N 3.3Å; P258-N262 PolarHBondContact O-N 3.48Å; P258-F319 HydrophobicContact CG-CZ 4.4Å; P258-M426 HydrophobicContact CB-CE 4.22Å; P258-M426 HydrophobicContact CB-SD 3.96Å; P258-M426 HydrophobicContact CG-CE 3.38Å; P258-M426 HydrophobicContact CG-SD 3.74Å
259	E	80.5	Confident	69.6	Low	8 Å²	8	38.8 Å²	38.8	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-28.2	-179.5	64.5	-85.7	-165.4	0	0	113.4	A257 L261 N262 R459	A257-E259 VanDerWaalsContact C-N 3.29Å; A257-E259 VanDerWaalsContact CB-CD 3.46Å; A257-E259 HydrophobicContact CB-CG 4.46Å; A257-E259 VanDerWaalsContact CB-OE1 3.29Å; A257-E259 WeakPolarHBondContact CB-OE1 3.19Å; A257-E259 WeakPolarHBondContact CB-OE2 3.5Å; A257-E259 PolarHBondContact O-N 2.88Å; E259-L261 PolarHBondContact O-N 3.31Å; E259-N262 PolarHBondContact O-N 2.94Å; E259-R459 IonicContact OE1-CZ 2.85Å; E259-R459 IonicContact OE1-NH1 3.44Å; E259-R459 PolarHBondContact OE1-NH1 3.27Å; E259-R459 IonicContact OE1-NH2 2.65Å; E259-R459 IonicContact OE2-CZ 3.39Å; E259-R459 IonicContact OE2-NH1 3.77Å; E259-R459 PolarHBondContact OE2-NH1 3.01Å; E259-R459 IonicContact OE2-NH2 3.74Å; E259-R459 PolarHBondContact OE2-NH2 3.16Å
260	C	81.8	Confident	67	Low	2 Å²	2	45.3 Å²	45.3	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-34	176.2	-59.1	0	0	0	0	111.8	W241 A257 P258 P312 S316	W241-C260 HydrophobicContact CD2-CB 4.3Å; W241-C260 HydrophobicContact CH2-CB 4.16Å; W241-C260 HydrophobicContact CZ2-CB 3.53Å; A257-C260 WeakPolarHBondContact O-CB 3.4Å; A257-C260 PolarHBondContact O-N 3.39Å; A257-C260 VanDerWaalsContact O-N 3.15Å; P258-C260 VanDerWaalsContact C-N 3.28Å; P258-C260 PolarHBondContact O-N 3.44Å; C260-P312 HydrophobicContact CB-CB 4.48Å; C260-S316 VanDerWaalsContact SG-CB 3.51Å
261	L	71.3	Confident	64.5	Low	6 Å²	6	46.6 Å²	46.6	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-86.8	-22.2	-173.1	-59.5	172.6	0	0	0	112.6	W241 C253 P258 E259 L263 I264 W418 H422	W241-L261 HydrophobicContact CE3-CD2 4.22Å; W241-L261 HydrophobicContact CH2-CD2 4.11Å; W241-L261 HydrophobicContact CZ3-CD2 3.6Å; C253-L261 HydrophobicContact CB-CD2 3.92Å; P258-L261 PolarHBondContact O-N 3.3Å; E259-L261 PolarHBondContact O-N 3.31Å; L261-L263 PolarHBondContact O-N 2.95Å; L261-I264 HydrophobicContact CD2-CD1 3.57Å; L261-I264 WeakPolarHBondContact O-CB 3.42Å; L261-I264 PolarHBondContact O-N 2.99Å; L261-W418 HydrophobicContact CB-CZ3 4.3Å; L261-W418 WeakPolarHBondContact O-CH2 3.33Å; L261-H422 HydrophobicContact CD1-CB 4.39Å; L261-H422 WeakPolarHBondContact CD1-CE1 2.92Å; L261-H422 WeakPolarHBondContact CD1-ND1 3.22Å
262	N	68.5	Low	61.9	Low	70 Å²	70	50.4 Å²	50.4	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-58.1	-31.3	172.9	-71.8	-16.9	0	0	0	111.9	P258 E259 I264 N265 N266	P258-N262 PolarHBondContact O-N 3.48Å; E259-N262 PolarHBondContact O-N 2.94Å; N262-I264 VanDerWaalsContact C-N 3.32Å; N262-I264 PolarHBondContact O-N 3.36Å; N262-N265 WeakPolarHBondContact O-CB 3.43Å; N262-N265 PolarHBondContact O-N 2.63Å; N262-N266 PolarHBondContact O-N 3.23Å
263	L	60.2	Low	59.3	Low	45 Å²	45	53.6 Å²	53.6	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-28.9	176.2	-66	179.8	0	0	0	113.7	W241 L261 N265 N267 P312	W241-L263 HydrophobicContact CB-CB 4.14Å; L261-L263 PolarHBondContact O-N 2.95Å; L263-N265 PolarHBondContact O-N 3.31Å; L263-N267 PolarHBondContact O-ND2 3.15Å; L263-P312 HydrophobicContact CD1-CG 3.63Å
264	I	57.2	Low	56.8	Low	18 Å²	18	57 Å²	57	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-27.4	177.1	-56.9	177.2	0	0	0	110.8	W241 R243 L261 N262 W418	W241-I264 HydrophobicContact CB-CG1 4.36Å; W241-I264 HydrophobicContact CE3-CD1 3.7Å; W241-I264 HydrophobicContact CE3-CG1 3.95Å; W241-I264 HydrophobicContact CZ3-CD1 4.04Å; R243-I264 HydrophobicContact CG-CG2 3.67Å; R243-I264 PolarHBondContact NE-O 3.49Å; R243-I264 PolarHBondContact NH2-O 2.96Å; L261-I264 HydrophobicContact CD2-CD1 3.57Å; L261-I264 WeakPolarHBondContact O-CB 3.42Å; L261-I264 PolarHBondContact O-N 2.99Å; N262-I264 VanDerWaalsContact C-N 3.32Å; N262-I264 PolarHBondContact O-N 3.36Å; I264-W418 HydrophobicContact CB-CH2 4.05Å; I264-W418 HydrophobicContact CB-CZ2 4.01Å; I264-W418 HydrophobicContact CG2-CH2 4.34Å; I264-W418 HydrophobicContact CG2-CZ2 3.84Å
265	N	52	Low	54.5	Low	37 Å²	37	62.2 Å²	62.2	20%	0.198	33%	0.326	C	S	.	.	H	α-helix	trans	-82	-45.4	179.9	-99.5	-23	0	0	0	113.3	R243 N262 L263 N267 N268 W418 E419	R243-N265 PolarHBondContact NH2-OD1 3.4Å; N262-N265 WeakPolarHBondContact O-CB 3.43Å; N262-N265 PolarHBondContact O-N 2.63Å; L263-N265 PolarHBondContact O-N 3.31Å; N265-N267 PolarHBondContact O-N 2.91Å; N265-N268 PolarHBondContact O-N 3.42Å; N265-W418 HydrophobicContact CB-CH2 3.99Å; N265-W418 HydrophobicContact CB-CZ2 3.98Å; N265-W418 WeakPolarHBondContact ND2-CH2 3.42Å; N265-W418 WeakPolarHBondContact ND2-CZ2 3.36Å; N265-W418 WeakPolarHBondContact OD1-CH2 3.32Å; N265-W418 WeakPolarHBondContact OD1-CZ2 3.5Å; N265-E419 PolarHBondContact ND2-OE1 3.31Å; N265-E419 PolarHBondContact OD1-OE1 2.93Å
266	N	45.4	Very low	51.8	Low	55 Å²	55	65.5 Å²	65.5	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-73.8	-11.3	-171.2	-70.6	-10.4	0	0	0	114.2	N262 N268 N269 M306	N262-N266 PolarHBondContact O-N 3.23Å; N266-N268 PolarHBondContact O-N 3.37Å; N266-N268 VanDerWaalsContact O-N 3.09Å; N266-N269 PolarHBondContact O-N 3.27Å; N266-N269 VanDerWaalsContact O-N 3.15Å; N266-M306 WeakPolarHBondContact ND2-CE 3.26Å; N266-M306 PolarHBondContact ND2-SD 2.96Å
267	N	38.5	Very low	49.1	Very low	92 Å²	92	69.6 Å²	69.6	49%	0.492	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.3	174	-81.3	-27.8	0	0	0	114.5	W241 L263 N265	W241-N267 PolarHBondContact O-ND2 3.2Å; L263-N267 PolarHBondContact O-ND2 3.15Å; N265-N267 PolarHBondContact O-N 2.91Å
268	N	35.5	Very low	46.2	Very low	107 Å²	107	79.4 Å²	79.4	57%	0.572	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.3	171.2	-78.7	6.1	0	0	0	113.7	N265 N266	N265-N268 PolarHBondContact O-N 3.42Å; N266-N268 PolarHBondContact O-N 3.37Å; N266-N268 VanDerWaalsContact O-N 3.09Å
269	N	32.1	Very low	43.6	Very low	127 Å²	127	88.4 Å²	88.4	68%	0.679	45%	0.446	S	S	*	.	S	Bend	trans	-109.9	90.3	-179.8	-70.4	-9	0	0	0	110.2	N266 I271	N266-N269 PolarHBondContact O-N 3.27Å; N266-N269 VanDerWaalsContact O-N 3.15Å; N269-I271 WeakPolarHBondContact O-CG1 3.42Å; N269-I271 PolarHBondContact O-N 3.23Å
270	N	30.8	Very low	41.1	Very low	138 Å²	138	95.2 Å²	95.2	74%	0.738	48%	0.483	S	S	*	.	S	Bend	trans	36.7	28	153	-71.2	-17.2	0	0	0	120.5	S272 N273	N270-S272 PolarHBondContact O-N 3.42Å; N270-N273 PolarHBondContact O-N 2.92Å
271	I	32.9	Very low	38.3	Very low	67 Å²	67	103.8 Å²	103.8	34%	0.344	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-79.9	2.3	172.6	-66.9	160.7	0	0	0	111.5	N269 N273 H274 F275	N269-I271 WeakPolarHBondContact O-CG1 3.42Å; N269-I271 PolarHBondContact O-N 3.23Å; I271-N273 PolarHBondContact O-N 2.93Å; I271-H274 HydrophobicContact CG2-CB 4.36Å; I271-H274 PolarHBondContact O-N 3.49Å; I271-F275 HydrophobicContact CG2-CD2 3.86Å; I271-F275 HydrophobicContact CG2-CE2 4.17Å
272	S	30.4	Very low	36.4	Very low	87 Å²	87	109.7 Å²	109.7	61%	0.608	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-59.9	-13.9	165.3	64.7	0	0	0	0	113.1	N270 T276	N270-S272 PolarHBondContact O-N 3.42Å; S272-T276 PolarHBondContact O-OG1 3.01Å
273	N	28.8	Very low	34.4	Very low	108 Å²	108	111.9 Å²	111.9	58%	0.578	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-105.9	-11.4	177.8	-69.2	-0.3	0	0	0	115	N270 I271 S277	N270-N273 PolarHBondContact O-N 2.92Å; I271-N273 PolarHBondContact O-N 2.93Å; N273-S277 VanDerWaalsContact O-CB 3.31Å; N273-S277 WeakPolarHBondContact O-CB 3.35Å; N273-S277 PolarHBondContact O-N 3.19Å
274	H	28.5	Very low	32.7	Very low	130 Å²	130	115.2 Å²	115.2	60%	0.602	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-17.9	172.9	-82.5	-60.4	0	0	0	114	I271 T276	I271-H274 HydrophobicContact CG2-CB 4.36Å; I271-H274 PolarHBondContact O-N 3.49Å; H274-T276 VanDerWaalsContact C-N 3.34Å
275	F	29.5	Very low	31.2	Very low	179 Å²	179	121.3 Å²	121.3	79%	0.785	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-11.1	170.2	-91.5	-81	0	0	0	114.1	I271	I271-F275 HydrophobicContact CG2-CD2 3.86Å; I271-F275 HydrophobicContact CG2-CE2 4.17Å
276	T	29.5	Very low	29.9	Very low	79 Å²	79	127.3 Å²	127.3	49%	0.485	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.6	-17.7	-180	49.2	0	0	0	0	114.5	S272 H274 R279	S272-T276 PolarHBondContact O-OG1 3.01Å; H274-T276 VanDerWaalsContact C-N 3.34Å; T276-R279 VanDerWaalsContact O-CB 3.29Å; T276-R279 WeakPolarHBondContact O-CB 3.33Å; T276-R279 PolarHBondContact O-N 2.94Å
277	S	28.5	Very low	28.7	Very low	91 Å²	91	134.7 Å²	134.7	64%	0.636	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-11.2	-176	-162.4	0	0	0	0	116.1	N273 R279	N273-S277 VanDerWaalsContact O-CB 3.31Å; N273-S277 WeakPolarHBondContact O-CB 3.35Å; N273-S277 PolarHBondContact O-N 3.19Å; S277-R279 PolarHBondContact O-N 2.96Å
278	Y	27.5	Very low	28	Very low	206 Å²	206	138.8 Å²	138.8	81%	0.808	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	12	169.2	-75.4	-76.9	0	0	0	113	N280	Y278-N280 VanDerWaalsContact C-N 3.3Å; Y278-N280 PolarHBondContact O-N 3.41Å
279	R	27.1	Very low	27.4	Very low	204 Å²	204	138.7 Å²	138.7	77%	0.77	71%	0.71	S	S	*	*	S	Bend	trans	-76.4	-8.9	-173.1	-153.8	172.9	-172.1	172.6	2.5	114.8	T276 S277	T276-R279 VanDerWaalsContact O-CB 3.29Å; T276-R279 WeakPolarHBondContact O-CB 3.33Å; T276-R279 PolarHBondContact O-N 2.94Å; S277-R279 PolarHBondContact O-N 2.96Å
280	N	26.7	Very low	27.1	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	72%	0.718	S	S	*	*	S	Bend	trans	-155.8	94.2	175.1	-82.1	-36.9	0	0	0	109.9	Y278	Y278-N280 VanDerWaalsContact C-N 3.3Å; Y278-N280 PolarHBondContact O-N 3.41Å
281	K	23.5	Very low	26.9	Very low	183 Å²	183	140.2 Å²	140.2	80%	0.796	72%	0.723	S	S	*	*			trans	-160	114.4	147.4	-107.4	167.9	-171.5	-172.6	0	107.6	T283	K281-T283 PolarHBondContact O-N 3.1Å
282	P	31.1	Very low	26.5	Very low	130 Å²	130	145.6 Å²	145.6	84%	0.844	74%	0.744	S	S	*	*			trans	-74.7	110.3	175.3	30.4	-27.6	0	0	0	106.5
283	T	26.3	Very low	26.3	Very low	116 Å²	116	148.4 Å²	148.4	71%	0.712	75%	0.752	S	S	*	*			trans	-113.2	90.1	169.7	50.9	0	0	0	0	107.3	K281	K281-T283 PolarHBondContact O-N 3.1Å
284	T	24.8	Very low	26.4	Very low	114 Å²	114	151 Å²	151	70%	0.699	77%	0.766	S	S	*	*			trans	-55.9	150.9	146	42	0	0	0	0	108.9
285	D	25.8	Very low	26.8	Very low	147 Å²	147	149.8 Å²	149.8	79%	0.786	77%	0.77	S	S	*	*			trans	81.7	79	162	-45	-33.2	0	0	0	116.5
286	L	24.2	Very low	26.7	Very low	162 Å²	162	148 Å²	148	85%	0.848	77%	0.769	S	S	*	*			trans	-124.3	63.4	159.2	-106.2	145.5	0	0	0	109.8
287	Y	20.6	Very low	26.7	Very low	211 Å²	211	153.1 Å²	153.1	83%	0.827	79%	0.787	S	S	*	*	S	Bend	trans	-134.3	125.1	157.5	-84.4	-80.4	0	0	0	109.8
288	H	23.3	Very low	26.6	Very low	178 Å²	178	155.4 Å²	155.4	82%	0.824	80%	0.797	S	S	*	*			trans	61.5	105.6	164.3	-62.6	-63.5	0	0	0	118.5
289	S	23.6	Very low	26.6	Very low	105 Å²	105	152.3 Å²	152.3	73%	0.734	79%	0.793	S	S	*	*			trans	-162.6	103.2	138.9	175.6	0	0	0	0	109.9
290	T	25.6	Very low	26.4	Very low	138 Å²	138	149.5 Å²	149.5	85%	0.847	79%	0.793	S	S	*	*			trans	-68	123.6	161.3	46.8	0	0	0	0	108.5
291	N	25.9	Very low	26.4	Very low	158 Å²	158	147 Å²	147	85%	0.845	79%	0.785	S	S	*	*			trans	-132.6	125.3	164.4	-120.2	-8.5	0	0	0	111.7
292	K	25.6	Very low	26.5	Very low	181 Å²	181	146.2 Å²	146.2	79%	0.787	79%	0.788	S	S	*	*			trans	-83.5	153.1	172.8	-71.7	178.2	173.1	176.6	0	108.9
293	N	26.8	Very low	26.3	Very low	146 Å²	146	144.8 Å²	144.8	78%	0.781	78%	0.777	S	S	*	*			trans	80.6	101	162.4	-49.3	-19.7	0	0	0	116.1
294	D	30	Very low	26.3	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	78%	0.78	S	S	*	*				-168.7	140.4	112.1	-92.5	-28.3	0	0	0	110.6
295	P	37.8	Very low	26.6	Very low	106 Å²	106	144.2 Å²	144.2	69%	0.688	78%	0.778	S	S	*	*			trans	-92.1	162.3	-178.8	36.6	-31.1	0	0	0	112.5
296	D	27.3	Very low	26.7	Very low	142 Å²	142	141.6 Å²	141.6	76%	0.759	76%	0.762	S	S	*	*			trans	67	84.8	166.3	-65.8	-18.6	0	0	0	117.6
297	H	29.3	Very low	27.5	Very low	186 Å²	186	141.1 Å²	141.1	86%	0.861	75%	0.753	S	S	*	*				-156.4	102.2	125.2	-89.5	-55.7	0	0	0	109.6	I299	H297-I299 PolarHBondContact O-N 3.3Å
298	T	25.9	Very low	28.9	Very low	138 Å²	138	135.9 Å²	135.9	85%	0.847	75%	0.747	S	S	*	*			trans	-63.5	91.9	167.4	23.4	0	0	0	0	109.8
299	I	27	Very low	30.4	Very low	142 Å²	142	130.1 Å²	130.1	73%	0.728	72%	0.722	S	S	*	*			trans	-119.2	98.8	159.8	-59.4	177.8	0	0	0	105.4	H297 P301	H297-I299 PolarHBondContact O-N 3.3Å; I299-P301 WeakPolarHBondContact O-CD 3.35Å
300	D	23.4	Very low	32.4	Very low	144 Å²	144	127.8 Å²	127.8	77%	0.77	70%	0.702	S	S	*	*			trans	-56.3	108.9	176.1	-75.1	-38	0	0	0	109.3	I302	D300-I302 PolarHBondContact O-N 3.03Å; D300-I302 VanDerWaalsContact O-N 3.15Å
301	P	26.6	Very low	34.7	Very low	98 Å²	98	126.7 Å²	126.7	64%	0.636	69%	0.685	S	S	*	*			trans	-77.8	111.8	177.9	17.5	-5.2	0	0	0	107.1	I299 T303	I299-P301 WeakPolarHBondContact O-CD 3.35Å; P301-T303 HydrophobicContact CB-CG2 4.42Å; P301-T303 PolarHBondContact O-N 3.15Å; P301-T303 PolarHBondContact O-OG1 2.87Å; P301-T303 VanDerWaalsContact O-OG1 3.06Å
302	I	26.4	Very low	37.4	Very low	168 Å²	168	119.9 Å²	119.9	86%	0.862	65%	0.65	S	S	*	*			trans	-53.8	86.7	167.1	-58	169.4	0	0	0	107.8	D300	D300-I302 PolarHBondContact O-N 3.03Å; D300-I302 VanDerWaalsContact O-N 3.15Å
303	T	25.6	Very low	40.4	Very low	100 Å²	100	111.7 Å²	111.7	61%	0.613	62%	0.616	S	S	*	*			trans	-105.3	79.9	176.1	37.8	0	0	0	0	106.9	P301 T305	P301-T303 HydrophobicContact CB-CG2 4.42Å; P301-T303 PolarHBondContact O-N 3.15Å; P301-T303 PolarHBondContact O-OG1 2.87Å; P301-T303 VanDerWaalsContact O-OG1 3.06Å; T303-T305 HydrophobicContact CG2-CG2 4.5Å; T303-T305 PolarHBondContact O-N 3.14Å
304	S	27.8	Very low	43.5	Very low	111 Å²	111	105.7 Å²	105.7	78%	0.776	59%	0.585	S	S	*	*			trans	-70.2	67.7	159.4	64.9	0	0	0	0	108.7	M306	S304-M306 PolarHBondContact O-N 3.27Å; S304-M306 VanDerWaalsContact O-N 3.14Å
305	T	29.9	Very low	46.5	Very low	106 Å²	106	102.6 Å²	102.6	65%	0.65	56%	0.562	S	S	*	*			trans	-77.1	93.7	171.5	47.3	0	0	0	0	106.7	T303 K307	T303-T305 HydrophobicContact CG2-CG2 4.5Å; T303-T305 PolarHBondContact O-N 3.14Å; T305-K307 PolarHBondContact O-N 3.2Å
306	M	28.4	Very low	49.1	Very low	92 Å²	92	97.6 Å²	97.6	45%	0.453	53%	0.529	S	S	.	.			trans	-55.5	117.5	165	-66.2	-161.7	83.8	0	0	107.1	N266 S304 D310	N266-M306 WeakPolarHBondContact ND2-CE 3.26Å; N266-M306 PolarHBondContact ND2-SD 2.96Å; S304-M306 PolarHBondContact O-N 3.27Å; S304-M306 VanDerWaalsContact O-N 3.14Å; M306-D310 HydrophobicContact CE-CB 4Å
307	K	40.6	Very low	52.4	Low	153 Å²	153	90.8 Å²	90.8	67%	0.665	49%	0.493	S	S	*	.			trans	-64	148.6	-176.7	-69.3	179.1	179	178.4	0	107.9	T305 N309 D310	T305-K307 PolarHBondContact O-N 3.2Å; K307-N309 PolarHBondContact O-N 3.22Å; K307-D310 PolarHBondContact O-N 3.3Å
308	S	49.8	Very low	55.5	Low	101 Å²	101	82 Å²	82	71%	0.706	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-48.8	-25.8	177.2	51	0	0	0	0	113.8	D310 K311	S308-D310 PolarHBondContact O-N 2.99Å; S308-K311 PolarHBondContact O-N 2.91Å
309	N	55.7	Low	58.8	Low	56 Å²	56	75.5 Å²	75.5	30%	0.299	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-66.5	-13.8	176.5	-64.1	-17.4	0	0	0	115.2	K307 Q457	K307-N309 PolarHBondContact O-N 3.22Å; N309-Q457 PolarHBondContact OD1-NE2 3.33Å
310	D	64.9	Low	62	Low	56 Å²	56	68.9 Å²	68.9	30%	0.299	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-91.5	-1.4	-177.9	-63.8	-34.6	0	0	0	113.4	M306 K307 S308	M306-D310 HydrophobicContact CE-CB 4Å; K307-D310 PolarHBondContact O-N 3.3Å; S308-D310 PolarHBondContact O-N 2.99Å
311	K	74.3	Confident	65.4	Low	116 Å²	116	62 Å²	62	50%	0.504	34%	0.342	S	S	.	.	S	Bend	trans	-99.7	143.4	179.2	-66.4	-178	-177.5	177.1	0	110.8	S308	S308-K311 PolarHBondContact O-N 2.91Å
312	P	83.4	Confident	68.6	Low	15 Å²	15	57.4 Å²	57.4	10%	0.097	31%	0.312	C	S	.	.			trans	-62.5	148	171.6	30.2	-35.9	0	0	0	110.2	F196 C260 L263	F196-P312 HydrophobicContact CE2-CB 4.04Å; F196-P312 HydrophobicContact CZ-CB 4.28Å; F196-P312 HydrophobicContact CZ-CG 4.42Å; C260-P312 HydrophobicContact CB-CB 4.48Å; L263-P312 HydrophobicContact CD1-CG 3.63Å
313	G	88.2	Confident	71.7	Confident	8 Å²	8	49.8 Å²	49.8	8%	0.082	27%	0.273	C	S	.	.			trans	-170.1	-162.7	-179.6	0	0	0	0	0	111	W315 S316	G313-W315 PolarHBondContact O-N 3.14Å; G313-W315 VanDerWaalsContact O-N 3.1Å; G313-S316 VanDerWaalsContact O-CB 3.31Å; G313-S316 WeakPolarHBondContact O-CB 3.49Å; G313-S316 PolarHBondContact O-N 2.9Å; G313-S316 PolarHBondContact O-OG 3.24Å
314	P	91.8	Very high	74.9	Confident	20 Å²	20	45 Å²	45	13%	0.13	24%	0.244	C	C	.	.	H	α-helix	trans	-51.1	-38.3	-178	-31.6	37.8	0	0	0	114.7	H190 F196 T224 S316 D317 M318	H190-P314 HydrophobicContact CB-CB 4.26Å; H190-P314 PolarHBondContact CE1-O 2.93Å; H190-P314 VanDerWaalsContact CE1-O 3.28Å; F196-P314 HydrophobicContact CB-CG 4.45Å; T224-P314 HydrophobicContact CG2-CG 3.88Å; P314-S316 PolarHBondContact O-N 3.34Å; P314-D317 WeakPolarHBondContact O-CB 3.44Å; P314-D317 PolarHBondContact O-N 2.67Å; P314-M318 PolarHBondContact O-N 3.01Å
315	W	93	Very high	78	Confident	96 Å²	96	39.7 Å²	39.7	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-65.8	-19.3	178.4	-58.3	-82.5	0	0	0	114.3	G313 F319 P456 R459	G313-W315 PolarHBondContact O-N 3.14Å; G313-W315 VanDerWaalsContact O-N 3.1Å; W315-F319 PolarHBondContact O-N 2.86Å; W315-P456 HydrophobicContact CB-CB 3.97Å; W315-P456 VanDerWaalsContact CD1-O 3.29Å; W315-P456 HydrophobicContact CG-CB 4.26Å; W315-R459 WeakPolarHBondContact O-CD 3.49Å; W315-R459 PolarHBondContact O-NH1 3.45Å
316	S	92.4	Very high	80.8	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-72.8	-38.1	175.2	70.4	0	0	0	0	111.8	C260 G313 P314 M318 F319 S320	C260-S316 VanDerWaalsContact SG-CB 3.51Å; G313-S316 VanDerWaalsContact O-CB 3.31Å; G313-S316 WeakPolarHBondContact O-CB 3.49Å; G313-S316 PolarHBondContact O-N 2.9Å; G313-S316 PolarHBondContact O-OG 3.24Å; P314-S316 PolarHBondContact O-N 3.34Å; S316-M318 VanDerWaalsContact C-N 3.32Å; S316-F319 PolarHBondContact O-N 3.28Å; S316-S320 PolarHBondContact O-N 3.06Å; S316-S320 VanDerWaalsContact O-N 3.07Å; S316-S320 PolarHBondContact O-OG 3.45Å
317	D	95.2	Very high	83.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-40.3	171.5	-68.1	-22.7	0	0	0	110.8	L186 H190 F196 H197 N198 V200 P314 F319 S320 L321	L186-D317 HydrophobicContact CD1-CB 4.24Å; L186-D317 HydrophobicContact CD2-CB 3.92Å; H190-D317 IonicContact CD2-OD2 3.65Å; H190-D317 IonicContact CE1-OD2 3.75Å; H190-D317 IonicContact NE2-OD2 3.17Å; H190-D317 PolarHBondContact NE2-OD2 3.23Å; F196-D317 WeakPolarHBondContact CA-OD2 3.3Å; F196-D317 WeakPolarHBondContact CB-OD2 3.47Å; H197-D317 PolarHBondContact N-OD1 3.36Å; H197-D317 PolarHBondContact N-OD2 3.49Å; N198-D317 PolarHBondContact N-OD1 2.99Å; V200-D317 HydrophobicContact CG2-CB 3.9Å; P314-D317 WeakPolarHBondContact O-CB 3.44Å; P314-D317 PolarHBondContact O-N 2.67Å; D317-F319 PolarHBondContact O-N 2.77Å; D317-S320 WeakPolarHBondContact O-CB 3.47Å; D317-S320 PolarHBondContact O-N 3.18Å; D317-S320 VanDerWaalsContact O-N 3.16Å; D317-L321 PolarHBondContact O-N 3.03Å
318	M	96	Very high	85.8	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.1	-40	178.6	-63.7	-50	-61.4	0	0	111.9	L186 P314 S316 S320 L321 G322 L451 F465	L186-M318 HydrophobicContact CD1-SD 4.03Å; P314-M318 PolarHBondContact O-N 3.01Å; S316-M318 VanDerWaalsContact C-N 3.32Å; M318-S320 VanDerWaalsContact C-N 3.33Å; M318-S320 PolarHBondContact O-N 3.45Å; M318-L321 HydrophobicContact CE-CD2 3.97Å; M318-L321 WeakPolarHBondContact O-CB 3.3Å; M318-L321 PolarHBondContact O-N 3.32Å; M318-G322 PolarHBondContact O-N 3.38Å; M318-L451 HydrophobicContact CB-CD2 3.73Å; M318-L451 HydrophobicContact CE-CD2 3.71Å; M318-L451 WeakPolarHBondContact O-CD2 3.47Å; M318-F465 HydrophobicContact CE-CB 3.91Å; M318-F465 HydrophobicContact CE-CG 4.17Å
319	F	94.3	Very high	87.5	Confident	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-61.3	-44.1	171.8	-178.1	-88.3	0	0	0	111.9	A257 P258 W315 S316 D317 L321 G322 L323 I429 L451 L452	A257-F319 VanDerWaalsContact CA-CD1 3.49Å; A257-F319 HydrophobicContact CB-CB 3.86Å; A257-F319 HydrophobicContact CB-CD1 3.83Å; A257-F319 HydrophobicContact CB-CE1 4.5Å; A257-F319 HydrophobicContact CB-CG 3.88Å; P258-F319 HydrophobicContact CG-CZ 4.4Å; W315-F319 PolarHBondContact O-N 2.86Å; S316-F319 PolarHBondContact O-N 3.28Å; D317-F319 PolarHBondContact O-N 2.77Å; F319-L321 VanDerWaalsContact C-N 3.32Å; F319-L321 PolarHBondContact O-N 3.22Å; F319-G322 PolarHBondContact O-N 3.01Å; F319-G322 VanDerWaalsContact O-N 3.11Å; F319-L323 HydrophobicContact CD1-CD1 4Å; F319-L323 HydrophobicContact CD1-CG 4.38Å; F319-L323 HydrophobicContact CE1-CD1 3.55Å; F319-L323 HydrophobicContact CE1-CG 4.09Å; F319-L323 HydrophobicContact CZ-CD1 4.42Å; F319-L323 PolarHBondContact O-N 2.8Å; F319-L323 VanDerWaalsContact O-N 3.1Å; F319-I429 HydrophobicContact CE1-CD1 4.42Å; F319-I429 HydrophobicContact CE2-CD1 4.46Å; F319-I429 HydrophobicContact CZ-CD1 3.61Å; F319-L451 WeakPolarHBondContact CA-O 3.21Å; F319-L451 WeakPolarHBondContact CD2-O 3.45Å; F319-L452 HydrophobicContact CE2-CD2 4.42Å
320	S	94.1	Very high	88.5	Confident	4 Å²	4	17 Å²	17	3%	0.028	8%	0.083	C	C	.	.	H	α-helix	trans	-61	-41.2	177.7	-50.1	0	0	0	0	111.7	V200 Y255 S316 D317 M318 G322 L323 I324	V200-S320 VanDerWaalsContact O-CB 3.31Å; V200-S320 WeakPolarHBondContact O-CB 3.49Å; Y255-S320 VanDerWaalsContact O-CA 3.31Å; Y255-S320 WeakPolarHBondContact O-CA 3.45Å; Y255-S320 VanDerWaalsContact O-CB 3.25Å; Y255-S320 WeakPolarHBondContact O-CB 3.33Å; Y255-S320 PolarHBondContact O-OG 3.04Å; S316-S320 PolarHBondContact O-N 3.06Å; S316-S320 VanDerWaalsContact O-N 3.07Å; S316-S320 PolarHBondContact O-OG 3.45Å; D317-S320 WeakPolarHBondContact O-CB 3.47Å; D317-S320 PolarHBondContact O-N 3.18Å; D317-S320 VanDerWaalsContact O-N 3.16Å; M318-S320 VanDerWaalsContact C-N 3.33Å; M318-S320 PolarHBondContact O-N 3.45Å; S320-G322 VanDerWaalsContact C-N 3.35Å; S320-G322 PolarHBondContact O-N 3.11Å; S320-L323 PolarHBondContact O-N 3.2Å; S320-I324 WeakPolarHBondContact O-CG1 3.43Å; S320-I324 PolarHBondContact O-N 3.35Å
321	L	95.8	Very high	88.5	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.5	-43.8	172.7	179.2	64.1	0	0	0	111.3	L182 L186 D317 M318 F319 L323 I324 I325 F465	L182-L321 HydrophobicContact CB-CD1 4.14Å; L182-L321 HydrophobicContact CD1-CD1 4.1Å; L186-L321 HydrophobicContact CD1-CB 4.36Å; L186-L321 HydrophobicContact CD1-CD2 4.21Å; D317-L321 PolarHBondContact O-N 3.03Å; M318-L321 HydrophobicContact CE-CD2 3.97Å; M318-L321 WeakPolarHBondContact O-CB 3.3Å; M318-L321 PolarHBondContact O-N 3.32Å; F319-L321 VanDerWaalsContact C-N 3.32Å; F319-L321 PolarHBondContact O-N 3.22Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 2.76Å; L321-I324 PolarHBondContact O-N 3.23Å; L321-I325 HydrophobicContact CD1-CD1 4.37Å; L321-I325 HydrophobicContact CD1-CG1 4.43Å; L321-I325 HydrophobicContact CG-CD1 4Å; L321-I325 HydrophobicContact CG-CG1 4.49Å; L321-I325 VanDerWaalsContact O-CG1 3.29Å; L321-I325 WeakPolarHBondContact O-CG1 3.28Å; L321-I325 PolarHBondContact O-N 2.92Å; L321-F465 HydrophobicContact CD2-CD1 4.24Å; L321-F465 HydrophobicContact CD2-CE1 4.14Å
322	G	94	Very high	87.4	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57	-43.5	175.1	0	0	0	0	0	112.8	M318 F319 S320 I325 C326	M318-G322 PolarHBondContact O-N 3.38Å; F319-G322 PolarHBondContact O-N 3.01Å; F319-G322 VanDerWaalsContact O-N 3.11Å; S320-G322 VanDerWaalsContact C-N 3.35Å; S320-G322 PolarHBondContact O-N 3.11Å; G322-I325 PolarHBondContact O-N 3.49Å; G322-C326 PolarHBondContact O-N 2.99Å; G322-C326 PolarHBondContact O-SG 2.75Å
323	L	91.3	Very high	85.2	Confident	8 Å²	8	16.4 Å²	16.4	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-65.8	-38.2	176.4	-70.5	177.8	0	0	0	112.7	Y255 F319 S320 L321 C326 A327 F425 I429 L452	Y255-L323 HydrophobicContact CD1-CB 3.82Å; Y255-L323 HydrophobicContact CD1-CD1 4.5Å; Y255-L323 HydrophobicContact CE1-CB 4.21Å; F319-L323 HydrophobicContact CD1-CD1 4Å; F319-L323 HydrophobicContact CD1-CG 4.38Å; F319-L323 HydrophobicContact CE1-CD1 3.55Å; F319-L323 HydrophobicContact CE1-CG 4.09Å; F319-L323 HydrophobicContact CZ-CD1 4.42Å; F319-L323 PolarHBondContact O-N 2.8Å; F319-L323 VanDerWaalsContact O-N 3.1Å; S320-L323 PolarHBondContact O-N 3.2Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 2.76Å; L323-C326 PolarHBondContact O-N 3.31Å; L323-A327 PolarHBondContact O-N 3.46Å; L323-F425 HydrophobicContact CD1-CE1 4.48Å; L323-F425 HydrophobicContact CD1-CZ 4.09Å; L323-I429 HydrophobicContact CD2-CD1 4.43Å; L323-I429 HydrophobicContact CD2-CG1 4.36Å; L323-I429 HydrophobicContact CD2-CG2 4.45Å; L323-L452 HydrophobicContact CD2-CD2 3.58Å; L323-L452 HydrophobicContact CG-CD2 3.75Å
324	I	92.1	Very high	82.6	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.8	-44.3	174.4	-70.9	158.4	0	0	0	110.5	L147 V200 P202 I205 Y255 S320 L321 C326 A327 L328	L147-I324 HydrophobicContact CD2-CG2 3.96Å; V200-I324 HydrophobicContact CG1-CD1 3.65Å; P202-I324 HydrophobicContact CG-CG1 4.33Å; I205-I324 HydrophobicContact CD1-CD1 3.66Å; I205-I324 HydrophobicContact CD1-CG2 4.35Å; Y255-I324 HydrophobicContact CD1-CG1 3.98Å; Y255-I324 HydrophobicContact CE1-CG1 4.12Å; S320-I324 WeakPolarHBondContact O-CG1 3.43Å; S320-I324 PolarHBondContact O-N 3.35Å; L321-I324 PolarHBondContact O-N 3.23Å; I324-C326 VanDerWaalsContact C-N 3.33Å; I324-C326 PolarHBondContact O-N 2.92Å; I324-A327 WeakPolarHBondContact O-CB 3.46Å; I324-A327 PolarHBondContact O-N 3.46Å; I324-L328 HydrophobicContact CG2-CD1 3.98Å; I324-L328 HydrophobicContact CG2-CG 4.34Å; I324-L328 VanDerWaalsContact O-CG 3.31Å; I324-L328 WeakPolarHBondContact O-CG 3.36Å; I324-L328 PolarHBondContact O-N 3.24Å
325	I	92.7	Very high	79.9	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.5	-46.4	176.8	-66.3	166.7	0	0	0	110.4	I179 L321 G322 A327 L328 Y329 M440 V448 L451 F465	I179-I325 HydrophobicContact CD1-CG1 4.04Å; I179-I325 HydrophobicContact CD1-CG2 4.37Å; I179-I325 HydrophobicContact CG1-CG1 4.11Å; I179-I325 HydrophobicContact CG2-CD1 3.91Å; I179-I325 HydrophobicContact CG2-CG1 4.14Å; L321-I325 HydrophobicContact CD1-CD1 4.37Å; L321-I325 HydrophobicContact CD1-CG1 4.43Å; L321-I325 HydrophobicContact CG-CD1 4Å; L321-I325 HydrophobicContact CG-CG1 4.49Å; L321-I325 VanDerWaalsContact O-CG1 3.29Å; L321-I325 WeakPolarHBondContact O-CG1 3.28Å; L321-I325 PolarHBondContact O-N 2.92Å; G322-I325 PolarHBondContact O-N 3.49Å; I325-A327 VanDerWaalsContact C-N 3.3Å; I325-A327 PolarHBondContact O-N 3.14Å; I325-L328 WeakPolarHBondContact O-CB 3.48Å; I325-L328 PolarHBondContact O-N 3.08Å; I325-L328 VanDerWaalsContact O-N 3.17Å; I325-Y329 HydrophobicContact CG2-CD2 3.84Å; I325-Y329 HydrophobicContact CG2-CE2 3.88Å; I325-Y329 VanDerWaalsContact O-CD2 3.32Å; I325-Y329 WeakPolarHBondContact O-CD2 3.19Å; I325-Y329 PolarHBondContact O-N 3.4Å; I325-M440 HydrophobicContact CG2-CE 3.9Å; I325-M440 HydrophobicContact CG2-SD 4.42Å; I325-V448 HydrophobicContact CB-CG2 4.33Å; I325-V448 HydrophobicContact CD1-CG2 3.98Å; I325-V448 HydrophobicContact CG2-CG1 4.47Å; I325-V448 HydrophobicContact CG2-CG2 3.77Å; I325-L451 HydrophobicContact CD1-CD1 4.26Å; I325-F465 HydrophobicContact CD1-CE1 4.19Å; I325-F465 HydrophobicContact CD1-CZ 3.79Å
326	C	89.2	Confident	76.9	Confident	2 Å²	2	18.8 Å²	18.8	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-58.8	-41	174.2	-69.7	0	0	0	0	112.5	G322 L323 I324 L328 Y329 T330 W341 S436	G322-C326 PolarHBondContact O-N 2.99Å; G322-C326 PolarHBondContact O-SG 2.75Å; L323-C326 PolarHBondContact O-N 3.31Å; I324-C326 VanDerWaalsContact C-N 3.33Å; I324-C326 PolarHBondContact O-N 2.92Å; C326-L328 VanDerWaalsContact C-N 3.31Å; C326-L328 PolarHBondContact O-N 3.37Å; C326-Y329 PolarHBondContact O-N 3.01Å; C326-T330 WeakPolarHBondContact O-CB 3.41Å; C326-T330 WeakPolarHBondContact O-CG2 3.32Å; C326-T330 PolarHBondContact O-N 3.37Å; C326-T330 PolarHBondContact O-OG1 3.15Å; C326-W341 HydrophobicContact CB-CH2 3.76Å; C326-W341 HydrophobicContact CB-CZ3 4.23Å; C326-S436 PolarHBondContact SG-OG 3.15Å
327	A	85.3	Confident	74.2	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-33	178.1	0	0	0	0	0	112.8	L151 L323 I324 I325 T330 N331 W341	L151-A327 HydrophobicContact CD1-CB 4.1Å; L323-A327 PolarHBondContact O-N 3.46Å; I324-A327 WeakPolarHBondContact O-CB 3.46Å; I324-A327 PolarHBondContact O-N 3.46Å; I325-A327 VanDerWaalsContact C-N 3.3Å; I325-A327 PolarHBondContact O-N 3.14Å; A327-T330 WeakPolarHBondContact CA-OG1 3.27Å; A327-T330 PolarHBondContact O-OG1 2.98Å; A327-N331 WeakPolarHBondContact O-CB 3.46Å; A327-N331 PolarHBondContact O-N 3.49Å; A327-N331 PolarHBondContact O-ND2 3.36Å; A327-N331 VanDerWaalsContact O-ND2 3.13Å; A327-W341 HydrophobicContact CB-CH2 3.89Å; A327-W341 HydrophobicContact CB-CZ2 3.7Å
328	L	88.2	Confident	71.7	Confident	2 Å²	2	19 Å²	19	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-71.6	-34.2	178.3	-70.8	167.3	0	0	0	113.5	L147 L151 F170 R175 I179 W213 I324 I325 C326	L147-L328 HydrophobicContact CD1-CD2 3.77Å; L147-L328 HydrophobicContact CD2-CD2 4.34Å; L151-L328 HydrophobicContact CD2-CD2 4.39Å; F170-L328 HydrophobicContact CE2-CD2 4.26Å; R175-L328 PolarHBondContact NE-O 3.26Å; I179-L328 HydrophobicContact CD1-CD1 4.33Å; I179-L328 HydrophobicContact CG1-CD1 4.06Å; W213-L328 HydrophobicContact CH2-CD1 3.54Å; W213-L328 HydrophobicContact CH2-CD2 3.58Å; W213-L328 HydrophobicContact CH2-CG 4.2Å; W213-L328 HydrophobicContact CZ2-CD2 4.32Å; W213-L328 HydrophobicContact CZ3-CD1 3.95Å; W213-L328 HydrophobicContact CZ3-CD2 4.49Å; I324-L328 HydrophobicContact CG2-CD1 3.98Å; I324-L328 HydrophobicContact CG2-CG 4.34Å; I324-L328 VanDerWaalsContact O-CG 3.31Å; I324-L328 WeakPolarHBondContact O-CG 3.36Å; I324-L328 PolarHBondContact O-N 3.24Å; I325-L328 WeakPolarHBondContact O-CB 3.48Å; I325-L328 PolarHBondContact O-N 3.08Å; I325-L328 VanDerWaalsContact O-N 3.17Å; C326-L328 VanDerWaalsContact C-N 3.31Å; C326-L328 PolarHBondContact O-N 3.37Å
329	Y	86	Confident	69.1	Low	5 Å²	5	21.9 Å²	21.9	2%	0.02	12%	0.123	C	C	.	.	H	α-helix	trans	-92.5	-20.1	-178.5	-74.2	-72.3	0	0	0	113.7	I179 I325 C326 R439 M440 P441 L444	I179-Y329 HydrophobicContact CD1-CE2 4.08Å; I325-Y329 HydrophobicContact CG2-CD2 3.84Å; I325-Y329 HydrophobicContact CG2-CE2 3.88Å; I325-Y329 VanDerWaalsContact O-CD2 3.32Å; I325-Y329 WeakPolarHBondContact O-CD2 3.19Å; I325-Y329 PolarHBondContact O-N 3.4Å; C326-Y329 PolarHBondContact O-N 3.01Å; Y329-R439 VanDerWaalsContact CD1-O 3.3Å; Y329-R439 WeakPolarHBondContact CD1-O 3.19Å; Y329-R439 WeakPolarHBondContact O-CD 3.35Å; Y329-M440 HydrophobicContact CD2-CB 4.43Å; Y329-M440 HydrophobicContact CD2-CE 4.16Å; Y329-M440 HydrophobicContact CD2-CG 4.08Å; Y329-M440 HydrophobicContact CE2-CG 4.16Å; Y329-M440 HydrophobicContact CG-CB 4.34Å; Y329-M440 HydrophobicContact CG-CG 4.46Å; Y329-P441 HydrophobicContact CE1-CG 4.33Å; Y329-P441 VanDerWaalsContact CZ-CD 3.49Å; Y329-P441 WeakPolarHBondContact OH-CD 3.44Å; Y329-L444 HydrophobicContact CE2-CD1 4.01Å
330	T	77.1	Confident	66.5	Low	21 Å²	21	25 Å²	25	13%	0.129	14%	0.137	C	C	.	.	H	α-helix	trans	-77.2	-36.7	171.4	45.9	0	0	0	0	113.1	C326 A327 N332 W341 L435 R439	C326-T330 WeakPolarHBondContact O-CB 3.41Å; C326-T330 WeakPolarHBondContact O-CG2 3.32Å; C326-T330 PolarHBondContact O-N 3.37Å; C326-T330 PolarHBondContact O-OG1 3.15Å; A327-T330 WeakPolarHBondContact CA-OG1 3.27Å; A327-T330 PolarHBondContact O-OG1 2.98Å; T330-N332 PolarHBondContact O-N 3.2Å; T330-W341 HydrophobicContact CG2-CE3 3.82Å; T330-W341 HydrophobicContact CG2-CZ3 3.57Å; T330-W341 WeakPolarHBondContact OG1-CZ3 3.41Å; T330-L435 HydrophobicContact CG2-CB 4.19Å; T330-R439 PolarHBondContact O-NH1 3.24Å
331	N	63.9	Low	64.2	Low	29 Å²	29	26 Å²	26	16%	0.155	14%	0.14	C	C	.	.			trans	-90	102.3	-176.1	-71.8	-43.9	0	0	0	112.4	L151 A327	L151-N331 HydrophobicContact CD2-CB 4.04Å; A327-N331 WeakPolarHBondContact O-CB 3.46Å; A327-N331 PolarHBondContact O-N 3.49Å; A327-N331 PolarHBondContact O-ND2 3.36Å; A327-N331 VanDerWaalsContact O-ND2 3.13Å
332	N	51.5	Low	61.8	Low	74 Å²	74	27.1 Å²	27.1	40%	0.396	15%	0.146	S	C	.	.			trans	-114.7	6.5	157.7	-96.7	-8.6	0	0	0	112.1	R169 R175 T330	R169-N332 VanDerWaalsContact CZ-O 3.27Å; R169-N332 PolarHBondContact NE-O 3.29Å; R169-N332 PolarHBondContact NH2-O 3.43Å; R175-N332 PolarHBondContact NH2-OD1 3.08Å; T330-N332 PolarHBondContact O-N 3.2Å
333	S	37.8	Very low	59.3	Low	72 Å²	72	31.4 Å²	31.4	50%	0.503	17%	0.166	S	C	.	.	S	Bend	trans	-97.5	140.5	176.4	-169.3	0	0	0	0	109.8	A335	S333-A335 PolarHBondContact O-N 3.23Å
334	P	33.1	Very low	56.8	Low	41 Å²	41	34.3 Å²	34.3	27%	0.266	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	105.1	177.7	-24.8	35.3	0	0	0	111.5	K166 R169 E336	K166-P334 HydrophobicContact CB-CB 3.56Å; K166-P334 HydrophobicContact CD-CB 4.3Å; K166-P334 HydrophobicContact CG-CB 3.63Å; K166-P334 WeakPolarHBondContact O-CA 3.2Å; K166-P334 WeakPolarHBondContact O-CB 3.31Å; K166-P334 WeakPolarHBondContact O-CG 3.33Å; R169-P334 VanDerWaalsContact NH2-CG 3.29Å; P334-E336 WeakPolarHBondContact O-CB 3.32Å; P334-E336 PolarHBondContact O-N 3.3Å
335	A	35.1	Very low	54.3	Low	6 Å²	6	35.4 Å²	35.4	5%	0.05	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	38.3	150.9	0	0	0	0	0	116.2	G152 H154 K166 S333	G152-A335 WeakPolarHBondContact CA-O 3.44Å; H154-A335 WeakPolarHBondContact CE1-CB 3.44Å; H154-A335 WeakPolarHBondContact NE2-CB 3.48Å; H154-A335 PolarHBondContact NE2-O 3.25Å; K166-A335 HydrophobicContact CG-CB 3.9Å; S333-A335 PolarHBondContact O-N 3.23Å
336	E	29.3	Very low	51.6	Low	127 Å²	127	39.8 Å²	39.8	59%	0.593	21%	0.206	S	C	*	.			trans	-129.7	54.1	179.6	-154.4	156.4	-135.5	0	0	107.8	P334	P334-E336 WeakPolarHBondContact O-CB 3.32Å; P334-E336 PolarHBondContact O-N 3.3Å
337	G	36.2	Very low	49	Very low	1 Å²	1	45.2 Å²	45.2	1%	0.01	23%	0.23	C	C	.	.			trans	156	49.6	155.8	0	0	0	0	0	122.2	L151 I339 Q340 W341	L151-G337 CarbonylContact O-C 3.56Å; L151-G337 PolarHBondContact O-N 3.41Å; G337-I339 VanDerWaalsContact C-N 3.25Å; G337-Q340 VanDerWaalsContact CA-N 3.32Å; G337-W341 WeakPolarHBondContact O-CA 3.38Å; G337-W341 WeakPolarHBondContact O-CB 3.31Å; G337-W341 PolarHBondContact O-N 3.1Å
338	S	41.9	Very low	46.5	Very low	5 Å²	5	53 Å²	53	4%	0.035	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-35	156.4	44.3	0	0	0	0	111.2	A148 L151 N153 W341	A148-S338 PolarHBondContact O-OG 3.4Å; L151-S338 PolarHBondContact O-N 3.45Å; N153-S338 WeakPolarHBondContact CB-OG 3.31Å; N153-S338 PolarHBondContact N-OG 2.95Å; S338-W341 PolarHBondContact O-NE1 2.93Å; S338-W341 VanDerWaalsContact O-NE1 3.08Å
339	I	42.6	Very low	43.9	Very low	62 Å²	62	57.5 Å²	57.5	32%	0.318	28%	0.283	S	S	.	.	H	α-helix	trans	-93.8	-38.5	167.3	-68.7	-174	0	0	0	110	N153 G337 W341 L342 Q343	N153-I339 WeakPolarHBondContact ND2-CD1 3.29Å; G337-I339 VanDerWaalsContact C-N 3.25Å; I339-W341 PolarHBondContact O-N 2.95Å; I339-L342 PolarHBondContact O-N 2.93Å; I339-Q343 HydrophobicContact CG2-CB 4.43Å; I339-Q343 HydrophobicContact CG2-CG 3.5Å; I339-Q343 VanDerWaalsContact CG2-CG 3.5Å; I339-Q343 WeakPolarHBondContact O-CA 3.45Å; I339-Q343 WeakPolarHBondContact O-CB 3.25Å; I339-Q343 VanDerWaalsContact O-CG 3.28Å; I339-Q343 WeakPolarHBondContact O-CG 3.36Å; I339-Q343 PolarHBondContact O-N 3.14Å
340	Q	39.5	Very low	41.3	Very low	66 Å²	66	66 Å²	66	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-67.7	-24	177.5	-143.5	109.3	-3.2	0	0	114.3	G337 N344	G337-Q340 VanDerWaalsContact CA-N 3.32Å; Q340-N344 WeakPolarHBondContact CG-ND2 3.36Å; Q340-N344 WeakPolarHBondContact CG-OD1 3.44Å; Q340-N344 VanDerWaalsContact O-CA 3.24Å; Q340-N344 WeakPolarHBondContact O-CA 3.47Å; Q340-N344 WeakPolarHBondContact O-CB 3.1Å; Q340-N344 PolarHBondContact O-N 3.32Å; Q340-N344 PolarHBondContact O-ND2 3.42Å; Q340-N344 VanDerWaalsContact O-ND2 3.1Å; Q340-N344 PolarHBondContact O-OD1 2.99Å
341	W	46	Very low	39	Very low	26 Å²	26	71.5 Å²	71.5	10%	0.098	35%	0.345	C	S	.	.	H	α-helix	trans	-69.3	-47.7	171.6	81.5	-38.4	0	0	0	109.8	C326 A327 T330 G337 S338 I339 N344 I345 A432	C326-W341 HydrophobicContact CB-CH2 3.76Å; C326-W341 HydrophobicContact CB-CZ3 4.23Å; A327-W341 HydrophobicContact CB-CH2 3.89Å; A327-W341 HydrophobicContact CB-CZ2 3.7Å; T330-W341 HydrophobicContact CG2-CE3 3.82Å; T330-W341 HydrophobicContact CG2-CZ3 3.57Å; T330-W341 WeakPolarHBondContact OG1-CZ3 3.41Å; G337-W341 WeakPolarHBondContact O-CA 3.38Å; G337-W341 WeakPolarHBondContact O-CB 3.31Å; G337-W341 PolarHBondContact O-N 3.1Å; S338-W341 PolarHBondContact O-NE1 2.93Å; S338-W341 VanDerWaalsContact O-NE1 3.08Å; I339-W341 PolarHBondContact O-N 2.95Å; W341-N344 PolarHBondContact O-N 2.88Å; W341-I345 WeakPolarHBondContact O-CD1 3.37Å; W341-I345 WeakPolarHBondContact O-CG1 3.45Å; W341-I345 PolarHBondContact O-N 3.37Å; W341-A432 HydrophobicContact CH2-CB 4.34Å; W341-A432 HydrophobicContact CZ3-CB 4.16Å
342	L	44.6	Very low	37.4	Very low	23 Å²	23	76.9 Å²	76.9	12%	0.12	37%	0.374	C	S	.	.	H	α-helix	trans	-68.4	-37.2	176.1	-76.4	167.4	0	0	0	112.2	H254 I339 I345 K346 F425	H254-L342 HydrophobicContact CB-CD1 4.11Å; I339-L342 PolarHBondContact O-N 2.93Å; L342-I345 HydrophobicContact CD2-CD1 4.49Å; L342-K346 PolarHBondContact O-N 3.04Å; L342-F425 HydrophobicContact CD1-CE2 3.9Å; L342-F425 HydrophobicContact CD2-CD2 3.8Å; L342-F425 HydrophobicContact CD2-CE2 3.36Å; L342-F425 HydrophobicContact CD2-CZ 4.43Å; L342-F425 HydrophobicContact CG-CE2 4.24Å
343	Q	41.6	Very low	36.2	Very low	89 Å²	89	79.2 Å²	79.2	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-77.1	-30.8	175	-73.6	-176.8	-10.2	0	0	112.5	I339 I345 K346 K347	I339-Q343 HydrophobicContact CG2-CB 4.43Å; I339-Q343 HydrophobicContact CG2-CG 3.5Å; I339-Q343 VanDerWaalsContact CG2-CG 3.5Å; I339-Q343 WeakPolarHBondContact O-CA 3.45Å; I339-Q343 WeakPolarHBondContact O-CB 3.25Å; I339-Q343 VanDerWaalsContact O-CG 3.28Å; I339-Q343 WeakPolarHBondContact O-CG 3.36Å; I339-Q343 PolarHBondContact O-N 3.14Å; Q343-I345 VanDerWaalsContact C-N 3.31Å; Q343-K346 CarbonylContact O-C 3.46Å; Q343-K346 WeakPolarHBondContact O-CA 3.29Å; Q343-K346 VanDerWaalsContact O-CB 3.31Å; Q343-K346 WeakPolarHBondContact O-CB 3.23Å; Q343-K346 PolarHBondContact O-N 3.35Å; Q343-K347 PolarHBondContact O-N 3.42Å
344	N	38.9	Very low	35.6	Very low	69 Å²	69	82.2 Å²	82.2	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-70.7	-34.5	171.7	-74.6	-19.9	0	0	0	109.4	Q340 W341 K346 K347 R348	Q340-N344 WeakPolarHBondContact CG-ND2 3.36Å; Q340-N344 WeakPolarHBondContact CG-OD1 3.44Å; Q340-N344 VanDerWaalsContact O-CA 3.24Å; Q340-N344 WeakPolarHBondContact O-CA 3.47Å; Q340-N344 WeakPolarHBondContact O-CB 3.1Å; Q340-N344 PolarHBondContact O-N 3.32Å; Q340-N344 PolarHBondContact O-ND2 3.42Å; Q340-N344 VanDerWaalsContact O-ND2 3.1Å; Q340-N344 PolarHBondContact O-OD1 2.99Å; W341-N344 PolarHBondContact O-N 2.88Å; N344-K346 VanDerWaalsContact C-N 3.25Å; N344-K346 PolarHBondContact O-N 2.9Å; N344-K347 PolarHBondContact O-N 3.44Å; N344-R348 PolarHBondContact O-N 3.26Å
345	I	40	Very low	35.2	Very low	24 Å²	24	90.3 Å²	90.3	12%	0.123	43%	0.428	C	S	.	.	H	α-helix	trans	-65.6	-33	168.2	-52.9	156	0	0	0	109.6	W341 L342 Q343 K428 A432	W341-I345 WeakPolarHBondContact O-CD1 3.37Å; W341-I345 WeakPolarHBondContact O-CG1 3.45Å; W341-I345 PolarHBondContact O-N 3.37Å; L342-I345 HydrophobicContact CD2-CD1 4.49Å; Q343-I345 VanDerWaalsContact C-N 3.31Å; I345-K428 HydrophobicContact CB-CD 4.05Å; I345-K428 HydrophobicContact CB-CG 4.45Å; I345-K428 HydrophobicContact CG2-CB 3.82Å; I345-K428 HydrophobicContact CG2-CD 3.29Å; I345-K428 HydrophobicContact CG2-CG 3.36Å; I345-K428 PolarHBondContact O-NZ 3.44Å; I345-A432 HydrophobicContact CD1-CB 4.38Å
346	K	36.6	Very low	34.7	Very low	91 Å²	91	94.8 Å²	94.8	40%	0.396	46%	0.46	S	S	.	.	H	α-helix	trans	-67.4	-36.6	167.5	-70.8	-178.2	178.6	176.5	0	114.1	L342 Q343 N344	L342-K346 PolarHBondContact O-N 3.04Å; Q343-K346 CarbonylContact O-C 3.46Å; Q343-K346 WeakPolarHBondContact O-CA 3.29Å; Q343-K346 VanDerWaalsContact O-CB 3.31Å; Q343-K346 WeakPolarHBondContact O-CB 3.23Å; Q343-K346 PolarHBondContact O-N 3.35Å; N344-K346 VanDerWaalsContact C-N 3.25Å; N344-K346 PolarHBondContact O-N 2.9Å
347	K	34.8	Very low	34.4	Very low	116 Å²	116	96.4 Å²	96.4	50%	0.504	47%	0.472	S	S	.	.	H	α-helix	trans	-76.4	-29.8	-177.7	-82.3	-175.4	172.1	-178.2	0	113.7	Q343 N344 D349 Y350	Q343-K347 PolarHBondContact O-N 3.42Å; N344-K347 PolarHBondContact O-N 3.44Å; K347-D349 PolarHBondContact O-N 2.92Å; K347-Y350 PolarHBondContact O-N 3.09Å
348	R	31.9	Very low	33.9	Very low	164 Å²	164	102.6 Å²	102.6	62%	0.619	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.9	178	-86.3	-172.9	177.4	176	-0.1	114.2	N344	N344-R348 PolarHBondContact O-N 3.26Å
349	D	33.3	Very low	32.9	Very low	96 Å²	96	109.8 Å²	109.8	51%	0.513	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.3	174.5	-64.4	-39.7	0	0	0	113.1	K347 K428	K347-D349 PolarHBondContact O-N 2.92Å; D349-K428 IonicContact OD2-NZ 3.36Å; D349-K428 PolarHBondContact OD2-NZ 3.32Å
350	Y	31.9	Very low	32	Very low	184 Å²	184	112.8 Å²	112.8	72%	0.722	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-25	-179.4	-82.2	-81.2	0	0	0	114	K347 N352 D353	K347-Y350 PolarHBondContact O-N 3.09Å; Y350-N352 PolarHBondContact O-N 3.23Å; Y350-D353 PolarHBondContact O-N 3.11Å
351	D	28.2	Very low	31.2	Very low	136 Å²	136	116.9 Å²	116.9	73%	0.727	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-8.7	-179	-73.4	-26.9	0	0	0	113.7
352	N	30.2	Very low	30	Very low	142 Å²	142	125.6 Å²	125.6	76%	0.759	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-3	173.8	-81.3	-11.4	0	0	0	114.4	Y350	Y350-N352 PolarHBondContact O-N 3.23Å
353	D	27.8	Very low	29	Very low	124 Å²	124	129.7 Å²	129.7	66%	0.663	65%	0.652	S	S	*	*	S	Bend	trans	-109.5	90	169.9	-76.4	-28.3	0	0	0	108.6	Y350 Y355	Y350-D353 PolarHBondContact O-N 3.11Å; D353-Y355 PolarHBondContact O-N 3.48Å
354	T	23.8	Very low	28	Very low	135 Å²	135	132.6 Å²	132.6	83%	0.828	67%	0.671	S	S	*	*			trans	-53.2	86.6	160.1	26.4	0	0	0	0	109.7
355	Y	26.1	Very low	27.3	Very low	210 Å²	210	134.6 Å²	134.6	82%	0.824	69%	0.689	S	S	*	*			trans	-136.5	105.7	158.8	-89.9	-81.2	0	0	0	109	D353	D353-Y355 PolarHBondContact O-N 3.48Å
356	S	23.3	Very low	26.4	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	72%	0.722	S	S	*	*			trans	-32.7	138.9	164.9	51	0	0	0	0	114.8
357	N	24.2	Very low	25.9	Very low	160 Å²	160	145.4 Å²	145.4	86%	0.856	74%	0.738	S	S	*	*			trans	46.8	85.5	155.8	-75.1	-8.6	0	0	0	116.3
358	T	24	Very low	25.4	Very low	132 Å²	132	146.7 Å²	146.7	81%	0.81	75%	0.75	S	S	*	*			trans	-133	120.8	144.6	39	0	0	0	0	109.9
359	D	22.4	Very low	24.9	Very low	155 Å²	155	146.7 Å²	146.7	83%	0.829	76%	0.76	S	S	*	*			trans	-50.1	145.9	177.9	-70	-58.8	0	0	0	112.6	L361	D359-L361 VanDerWaalsContact C-N 3.32Å; D359-L361 PolarHBondContact O-N 3.2Å
360	V	23.6	Very low	24.5	Very low	126 Å²	126	149.4 Å²	149.4	76%	0.764	77%	0.773	S	S	*	*			trans	-52.3	87.7	178.4	-177.4	0	0	0	0	110.6	Y362	V360-Y362 VanDerWaalsContact C-N 3.32Å; V360-Y362 HydrophobicContact CG1-CD2 3.91Å; V360-Y362 HydrophobicContact CG1-CE2 4.08Å; V360-Y362 PolarHBondContact O-N 3.15Å
361	L	21.3	Very low	24.1	Very low	152 Å²	152	148.6 Å²	148.6	80%	0.796	78%	0.776	S	S	*	*			trans	-72.6	88.6	171	-82.4	164.4	0	0	0	108.9	D359 V363	D359-L361 VanDerWaalsContact C-N 3.32Å; D359-L361 PolarHBondContact O-N 3.2Å; L361-V363 PolarHBondContact O-N 3.4Å
362	Y	22	Very low	23.9	Very low	208 Å²	208	151.7 Å²	151.7	82%	0.816	79%	0.786	S	S	*	*			trans	-55.9	102	155	-96.1	-93.6	0	0	0	107.7	V360 N364	V360-Y362 VanDerWaalsContact C-N 3.32Å; V360-Y362 HydrophobicContact CG1-CD2 3.91Å; V360-Y362 HydrophobicContact CG1-CE2 4.08Å; V360-Y362 PolarHBondContact O-N 3.15Å; Y362-N364 VanDerWaalsContact C-N 3.29Å; Y362-N364 PolarHBondContact O-N 3.31Å
363	V	23	Very low	23.6	Very low	109 Å²	109	151 Å²	151	66%	0.661	79%	0.788	S	S	*	*			trans	-66.9	89.2	-179.9	-179.6	0	0	0	0	109	L361 C365	L361-V363 PolarHBondContact O-N 3.4Å; V363-C365 PolarHBondContact O-N 2.75Å
364	N	21.8	Very low	23.5	Very low	151 Å²	151	153.1 Å²	153.1	81%	0.807	80%	0.799	S	S	*	*			trans	-73.5	103.8	167.7	-147.2	-6.8	0	0	0	106.9	Y362 K366	Y362-N364 VanDerWaalsContact C-N 3.29Å; Y362-N364 PolarHBondContact O-N 3.31Å; N364-K366 VanDerWaalsContact C-N 3.34Å; N364-K366 PolarHBondContact O-N 3.34Å
365	C	23.3	Very low	23.8	Very low	110 Å²	110	153.8 Å²	153.8	74%	0.743	80%	0.797	S	S	*	*			trans	-64.9	86.8	-178.6	-66.4	0	0	0	0	111	V363	V363-C365 PolarHBondContact O-N 2.75Å
366	K	22.1	Very low	23.8	Very low	189 Å²	189	151.1 Å²	151.1	82%	0.822	80%	0.797	S	S	*	*			trans	-83.2	117.4	158.4	-85.7	-174.6	173.9	-179.6	0	108.7	N364 N368	N364-K366 VanDerWaalsContact C-N 3.34Å; N364-K366 PolarHBondContact O-N 3.34Å; K366-N368 PolarHBondContact O-N 3.35Å; K366-N368 VanDerWaalsContact O-N 3.1Å
367	E	24.9	Very low	24	Very low	154 Å²	154	151.3 Å²	151.3	72%	0.72	79%	0.794	S	S	*	*			trans	-59.3	99.7	174.1	-69.2	168.3	170.3	0	0	109	K96	K96-E367 IonicContact NZ-OE1 2.8Å; K96-E367 PolarHBondContact NZ-OE1 3.15Å
368	N	23.5	Very low	24	Very low	143 Å²	143	152.8 Å²	152.8	77%	0.765	80%	0.796	S	S	*	*			trans	-88.6	115.7	164.7	-82.3	-8.3	0	0	0	108.2	K366 I370	K366-N368 PolarHBondContact O-N 3.35Å; K366-N368 VanDerWaalsContact O-N 3.1Å; N368-I370 PolarHBondContact O-N 2.94Å; N368-I370 VanDerWaalsContact O-N 3.14Å
369	I	22.2	Very low	24.2	Very low	163 Å²	163	156.3 Å²	156.3	84%	0.836	80%	0.795	S	S	*	*			trans	-60	106.5	171.6	-62.6	164.9	0	0	0	107.3
370	I	25.9	Very low	24.4	Very low	154 Å²	154	155.6 Å²	155.6	79%	0.79	79%	0.792	S	S	*	*			trans	-93.9	111.4	170.4	-61.8	174.7	0	0	0	106.1	N368 E372	N368-I370 PolarHBondContact O-N 2.94Å; N368-I370 VanDerWaalsContact O-N 3.14Å; I370-E372 PolarHBondContact O-N 2.83Å
371	Q	22.3	Very low	24.7	Very low	167 Å²	167	156.8 Å²	156.8	78%	0.78	79%	0.792	S	S	*	*			trans	-61	127.8	174.1	-76.3	174.6	-32.9	0	0	110	T373	Q371-T373 PolarHBondContact O-N 2.76Å
372	E	23.8	Very low	25	Very low	200 Å²	200	158 Å²	158	94%	0.935	79%	0.793	S	S	*	*			trans	-63.4	112.9	175.5	-69.8	175.5	154.4	0	0	110.3	I370	I370-E372 PolarHBondContact O-N 2.83Å
373	T	25.5	Very low	25.3	Very low	129 Å²	129	152.8 Å²	152.8	79%	0.791	79%	0.788	S	S	*	*			trans	-108.6	109.1	166.6	55.4	0	0	0	0	110.2	Q371	Q371-T373 PolarHBondContact O-N 2.76Å
374	N	25.6	Very low	25.6	Very low	167 Å²	167	154 Å²	154	89%	0.893	79%	0.789	S	S	*	*			trans	42.2	118	155.7	-82.2	-18.6	0	0	0	121.1
375	N	28.6	Very low	25.8	Very low	149 Å²	149	156.9 Å²	156.9	80%	0.797	79%	0.79	S	S	*	*			trans	-56.1	159.8	162.9	-69	-36.2	0	0	0	113.5
376	N	26.1	Very low	26	Very low	155 Å²	155	157.4 Å²	157.4	83%	0.829	79%	0.789	S	S	*	*			trans	100.9	70.2	168.9	-56.9	-15.9	0	0	0	116.2
377	V	27.7	Very low	26.3	Very low	104 Å²	104	157 Å²	157	63%	0.63	79%	0.79	S	S	*	*			trans	-147.9	106.7	136.4	-166.8	0	0	0	0	109.6	Y379	V377-Y379 HydrophobicContact CG1-CD2 3.16Å; V377-Y379 HydrophobicContact CG1-CE2 3.23Å; V377-Y379 HydrophobicContact CG1-CG 4.29Å
378	Q	24.3	Very low	26.5	Very low	192 Å²	192	156.9 Å²	156.9	90%	0.897	79%	0.793	S	S	*	*			trans	-94.4	94.8	178.4	-166.6	167	-6.5	0	0	107.8
379	Y	28.5	Very low	26.8	Very low	205 Å²	205	157.1 Å²	157.1	80%	0.804	79%	0.792	S	S	*	*			trans	-108.7	126.1	174.7	-89.1	-66.2	0	0	0	112.2	V377 I381	V377-Y379 HydrophobicContact CG1-CD2 3.16Å; V377-Y379 HydrophobicContact CG1-CE2 3.23Å; V377-Y379 HydrophobicContact CG1-CG 4.29Å; Y379-I381 PolarHBondContact O-N 2.74Å
380	N	26.7	Very low	27.1	Very low	141 Å²	141	157.7 Å²	157.7	75%	0.754	80%	0.796	S	S	*	*			trans	-59	107.9	-178.2	-73.1	-37.8	0	0	0	112.8	H382	N380-H382 PolarHBondContact O-N 2.76Å; N380-H382 VanDerWaalsContact O-N 3.07Å
381	I	30.5	Very low	27.3	Very low	151 Å²	151	153.5 Å²	153.5	77%	0.774	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-61.7	-11.8	175.7	-69.1	168.3	0	0	0	112.9	Y379 S383	Y379-I381 PolarHBondContact O-N 2.74Å; I381-S383 VanDerWaalsContact C-N 3.31Å; I381-S383 PolarHBondContact O-N 3.01Å
382	H	26.6	Very low	27.9	Very low	177 Å²	177	152.9 Å²	152.9	82%	0.819	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-70	-18.8	-176.3	-120.8	66.5	0	0	0	115.1	N380 I384	N380-H382 PolarHBondContact O-N 2.76Å; N380-H382 VanDerWaalsContact O-N 3.07Å; H382-I384 VanDerWaalsContact C-N 3.34Å; H382-I384 PolarHBondContact O-N 3.07Å
383	S	28.8	Very low	28.3	Very low	99 Å²	99	151.5 Å²	151.5	69%	0.692	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-76.3	-14.9	-176.7	-171.9	0	0	0	0	114.7	I381	I381-S383 VanDerWaalsContact C-N 3.31Å; I381-S383 PolarHBondContact O-N 3.01Å
384	I	29.3	Very low	29.2	Very low	134 Å²	134	153.4 Å²	153.4	69%	0.687	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-83.5	-14.4	-173	-64.8	175	0	0	0	112.3	H382 V386	H382-I384 VanDerWaalsContact C-N 3.34Å; H382-I384 PolarHBondContact O-N 3.07Å; I384-V386 PolarHBondContact O-N 3.11Å
385	Y	26.9	Very low	29.9	Very low	211 Å²	211	154.6 Å²	154.6	83%	0.827	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-82.5	-12.5	-171.7	-121.4	-91.8	0	0	0	115.9
386	V	26.9	Very low	30.7	Very low	121 Å²	121	152.7 Å²	152.7	73%	0.733	77%	0.772	S	S	*	*	S	Bend	trans	-93.4	-13.5	-168.2	178.6	0	0	0	0	114.7	I384 I388	I384-V386 PolarHBondContact O-N 3.11Å; V386-I388 PolarHBondContact O-N 3.4Å
387	H	27.6	Very low	31.4	Very low	181 Å²	181	152.9 Å²	152.9	84%	0.838	76%	0.762	S	S	*	*	S	Bend	trans	-92.1	8.9	-173.5	-90.9	-64.2	0	0	0	117	I389	H387-I389 PolarHBondContact O-N 2.98Å
388	I	28.9	Very low	32.2	Very low	152 Å²	152	158.3 Å²	158.3	78%	0.779	77%	0.771	S	S	*	*			trans	-98.2	33.8	-176.3	-48	178.3	0	0	0	112.7	V386	V386-I388 PolarHBondContact O-N 3.4Å
389	I	30.5	Very low	33.4	Very low	147 Å²	147	153.6 Å²	153.6	75%	0.754	75%	0.752	S	S	*	*			trans	-139.6	97.9	171	-55.8	-179.8	0	0	0	109.3	H387	H387-I389 PolarHBondContact O-N 2.98Å
390	L	27.4	Very low	34.5	Very low	175 Å²	175	148 Å²	148	92%	0.916	74%	0.735	S	S	*	*			trans	157.7	140.4	141.5	-86	153	0	0	0	110.4
391	G	30.7	Very low	35.4	Very low	66 Å²	66	144.8 Å²	144.8	68%	0.68	72%	0.716	S	S	*	*			trans	-76.5	178.7	-165.7	0	0	0	0	0	116.4
392	D	34.1	Very low	36.2	Very low	154 Å²	154	146.6 Å²	146.6	82%	0.824	71%	0.713	S	S	*	*			trans	70.6	101	172.9	-57.5	-21.8	0	0	0	115.8
393	F	34.2	Very low	37.3	Very low	172 Å²	172	142.6 Å²	142.6	75%	0.754	70%	0.697	S	S	*	*				170.3	103.2	127.2	-96.7	-76.6	0	0	0	108.6	F395 E396	F393-F395 PolarHBondContact O-N 3.36Å; F393-E396 PolarHBondContact O-N 3.14Å
394	I	43.2	Very low	38.1	Very low	168 Å²	168	144.4 Å²	144.4	86%	0.862	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	-13.9	179.1	-76.7	163.7	0	0	0	113.8
395	F	40.1	Very low	39	Very low	192 Å²	192	142 Å²	142	84%	0.842	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-27.9	176.7	-124.4	-94.8	0	0	0	114.2	F393 Y397	F393-F395 PolarHBondContact O-N 3.36Å; F395-Y397 VanDerWaalsContact C-N 3.3Å; F395-Y397 PolarHBondContact O-N 3.17Å
396	E	45.5	Very low	40.2	Very low	109 Å²	109	135.8 Å²	135.8	51%	0.509	66%	0.662	S	S	.	*	H	α-helix	trans	-70.3	-25.2	179.2	-84.3	-87.4	151	0	0	112.2	F393 R398 L399 I400	F393-E396 PolarHBondContact O-N 3.14Å; E396-R398 VanDerWaalsContact C-N 3.29Å; E396-R398 PolarHBondContact O-N 2.93Å; E396-L399 PolarHBondContact O-N 3.2Å; E396-I400 HydrophobicContact CB-CD1 4Å; E396-I400 WeakPolarHBondContact O-CB 3.31Å; E396-I400 VanDerWaalsContact O-CG1 3.3Å; E396-I400 WeakPolarHBondContact O-CG1 3.31Å; E396-I400 PolarHBondContact O-N 3.46Å
397	Y	41.1	Very low	41.3	Very low	159 Å²	159	133.3 Å²	133.3	62%	0.624	65%	0.647	S	S	*	*	H	α-helix	trans	-59.8	-35.4	-174.9	-158.4	-91.7	0	0	0	113.3	F395 M401	F395-Y397 VanDerWaalsContact C-N 3.3Å; F395-Y397 PolarHBondContact O-N 3.17Å; Y397-M401 HydrophobicContact CD1-CG 3.7Å; Y397-M401 HydrophobicContact CE1-CG 3.52Å; Y397-M401 HydrophobicContact CE1-SD 4.08Å; Y397-M401 VanDerWaalsContact O-CB 3.28Å; Y397-M401 WeakPolarHBondContact O-CB 3.25Å; Y397-M401 WeakPolarHBondContact O-CG 3.4Å; Y397-M401 PolarHBondContact O-N 2.79Å
398	R	45.2	Very low	42.3	Very low	219 Å²	219	126.7 Å²	126.7	83%	0.826	62%	0.617	S	S	*	*	H	α-helix	trans	-71.2	-36.1	176.8	-83	-173.1	170	179	-1.5	112.6	E396 R402	E396-R398 VanDerWaalsContact C-N 3.29Å; E396-R398 PolarHBondContact O-N 2.93Å; R398-R402 WeakPolarHBondContact O-CB 3.34Å; R398-R402 PolarHBondContact O-N 3.4Å
399	L	50	Low	43.1	Very low	93 Å²	93	128.7 Å²	128.7	49%	0.487	62%	0.615	S	S	.	*	H	α-helix	trans	-72.7	-43.7	176	-170.2	68.5	0	0	0	110	E396 M401 R402 I403	E396-L399 PolarHBondContact O-N 3.2Å; L399-M401 VanDerWaalsContact C-N 3.35Å; L399-M401 PolarHBondContact O-N 3.38Å; L399-R402 CarbonylContact O-C 3.57Å; L399-R402 PolarHBondContact O-N 3.13Å; L399-R402 VanDerWaalsContact O-N 3.14Å; L399-I403 HydrophobicContact CD2-CD1 4.45Å; L399-I403 HydrophobicContact CG-CD1 3.98Å; L399-I403 HydrophobicContact CG-CG1 4.49Å; L399-I403 WeakPolarHBondContact O-CB 3.45Å; L399-I403 VanDerWaalsContact O-CG1 3.31Å; L399-I403 WeakPolarHBondContact O-CG1 3.41Å; L399-I403 PolarHBondContact O-N 3.36Å
400	I	49.8	Very low	43.6	Very low	86 Å²	86	128.3 Å²	128.3	44%	0.441	61%	0.608	S	S	.	*	H	α-helix	trans	-57.9	-45.8	173	-67.5	168.2	0	0	0	110.4	E396 R402 I403 Y404	E396-I400 HydrophobicContact CB-CD1 4Å; E396-I400 WeakPolarHBondContact O-CB 3.31Å; E396-I400 VanDerWaalsContact O-CG1 3.3Å; E396-I400 WeakPolarHBondContact O-CG1 3.31Å; E396-I400 PolarHBondContact O-N 3.46Å; I400-R402 VanDerWaalsContact C-N 3.34Å; I400-R402 PolarHBondContact O-N 2.83Å; I400-I403 PolarHBondContact O-N 2.97Å; I400-Y404 WeakPolarHBondContact O-CA 3.48Å; I400-Y404 WeakPolarHBondContact O-CB 3.3Å; I400-Y404 PolarHBondContact O-N 3.15Å
401	M	46.2	Very low	44.2	Very low	75 Å²	75	122.6 Å²	122.6	37%	0.369	58%	0.581	S	S	.	*	H	α-helix	trans	-67.5	-32.9	177.1	-74.2	-63.8	-79.6	0	0	112.6	Y397 L399 N405	Y397-M401 HydrophobicContact CD1-CG 3.7Å; Y397-M401 HydrophobicContact CE1-CG 3.52Å; Y397-M401 HydrophobicContact CE1-SD 4.08Å; Y397-M401 VanDerWaalsContact O-CB 3.28Å; Y397-M401 WeakPolarHBondContact O-CB 3.25Å; Y397-M401 WeakPolarHBondContact O-CG 3.4Å; Y397-M401 PolarHBondContact O-N 2.79Å; L399-M401 VanDerWaalsContact C-N 3.35Å; L399-M401 PolarHBondContact O-N 3.38Å; M401-N405 WeakPolarHBondContact O-CB 3.36Å; M401-N405 VanDerWaalsContact O-CG 3.29Å; M401-N405 PolarHBondContact O-N 3.32Å; M401-N405 PolarHBondContact O-ND2 3.23Å; M401-N405 VanDerWaalsContact O-ND2 3.16Å
402	R	46.7	Very low	44.7	Very low	189 Å²	189	122.2 Å²	122.2	71%	0.713	57%	0.565	S	S	*	*	H	α-helix	trans	-68.4	-44.5	171.7	-90.2	179.5	162.3	166.9	-4.7	111.9	R398 L399 I400 N405 V406	R398-R402 WeakPolarHBondContact O-CB 3.34Å; R398-R402 PolarHBondContact O-N 3.4Å; L399-R402 CarbonylContact O-C 3.57Å; L399-R402 PolarHBondContact O-N 3.13Å; L399-R402 VanDerWaalsContact O-N 3.14Å; I400-R402 VanDerWaalsContact C-N 3.34Å; I400-R402 PolarHBondContact O-N 2.83Å; R402-N405 PolarHBondContact O-N 3.4Å; R402-V406 WeakPolarHBondContact O-CB 3.48Å; R402-V406 WeakPolarHBondContact O-CG2 3.36Å; R402-V406 PolarHBondContact O-N 3.34Å
403	I	49.9	Very low	45.2	Very low	93 Å²	93	122.5 Å²	122.5	48%	0.477	56%	0.561	S	S	.	*	H	α-helix	trans	-63.9	-44.7	175.3	-67.6	168.9	0	0	0	109.3	L399 I400 N405 V406 V407	L399-I403 HydrophobicContact CD2-CD1 4.45Å; L399-I403 HydrophobicContact CG-CD1 3.98Å; L399-I403 HydrophobicContact CG-CG1 4.49Å; L399-I403 WeakPolarHBondContact O-CB 3.45Å; L399-I403 VanDerWaalsContact O-CG1 3.31Å; L399-I403 WeakPolarHBondContact O-CG1 3.41Å; L399-I403 PolarHBondContact O-N 3.36Å; I400-I403 PolarHBondContact O-N 2.97Å; I403-N405 VanDerWaalsContact C-N 3.35Å; I403-N405 PolarHBondContact O-N 3.29Å; I403-V406 PolarHBondContact O-N 3.45Å; I403-V407 HydrophobicContact CG2-CG2 3.97Å; I403-V407 WeakPolarHBondContact O-CB 3.49Å; I403-V407 WeakPolarHBondContact O-CG2 3.41Å; I403-V407 PolarHBondContact O-N 3.2Å
404	Y	47.2	Very low	45.5	Very low	136 Å²	136	124.3 Å²	124.3	53%	0.533	56%	0.563	S	S	.	*	H	α-helix	trans	-58.8	-45	175.1	-171.7	-101.5	0	0	0	111	I400 I408	I400-Y404 WeakPolarHBondContact O-CA 3.48Å; I400-Y404 WeakPolarHBondContact O-CB 3.3Å; I400-Y404 PolarHBondContact O-N 3.15Å; Y404-I408 HydrophobicContact CD1-CD1 3.61Å; Y404-I408 HydrophobicContact CD1-CG1 4.38Å; Y404-I408 HydrophobicContact CE1-CD1 3.15Å; Y404-I408 HydrophobicContact CE1-CG1 4.22Å; Y404-I408 HydrophobicContact CE2-CD1 4.34Å; Y404-I408 HydrophobicContact CG-CD1 4.37Å; Y404-I408 VanDerWaalsContact O-CB 3.22Å; Y404-I408 WeakPolarHBondContact O-CB 3.13Å; Y404-I408 VanDerWaalsContact O-CG1 3.24Å; Y404-I408 WeakPolarHBondContact O-CG1 3.04Å; Y404-I408 PolarHBondContact O-N 3.07Å
405	N	47.2	Very low	45.2	Very low	83 Å²	83	119.2 Å²	119.2	44%	0.444	54%	0.537	S	S	.	.	H	α-helix	trans	-69.4	-36.1	176	-81.6	-35.6	0	0	0	113.4	M401 R402 I403 R409	M401-N405 WeakPolarHBondContact O-CB 3.36Å; M401-N405 VanDerWaalsContact O-CG 3.29Å; M401-N405 PolarHBondContact O-N 3.32Å; M401-N405 PolarHBondContact O-ND2 3.23Å; M401-N405 VanDerWaalsContact O-ND2 3.16Å; R402-N405 PolarHBondContact O-N 3.4Å; I403-N405 VanDerWaalsContact C-N 3.35Å; I403-N405 PolarHBondContact O-N 3.29Å; N405-R409 WeakPolarHBondContact O-CB 3.44Å; N405-R409 WeakPolarHBondContact O-CG 3.33Å; N405-R409 PolarHBondContact O-N 3.09Å
406	V	51.3	Low	45.6	Very low	81 Å²	81	113.2 Å²	113.2	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-70.9	-44	176	169.7	0	0	0	0	110.4	R402 I403 R409 F410	R402-V406 WeakPolarHBondContact O-CB 3.48Å; R402-V406 WeakPolarHBondContact O-CG2 3.36Å; R402-V406 PolarHBondContact O-N 3.34Å; I403-V406 PolarHBondContact O-N 3.45Å; V406-R409 PolarHBondContact O-N 3.11Å; V406-F410 HydrophobicContact CG1-CD2 4.17Å; V406-F410 WeakPolarHBondContact O-CB 3.45Å; V406-F410 PolarHBondContact O-N 3.2Å
407	V	50.8	Low	45.7	Very low	69 Å²	69	116.3 Å²	116.3	42%	0.418	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-41.3	174.6	172.5	0	0	0	0	109.9	I403 F410 T411	I403-V407 HydrophobicContact CG2-CG2 3.97Å; I403-V407 WeakPolarHBondContact O-CB 3.49Å; I403-V407 WeakPolarHBondContact O-CG2 3.41Å; I403-V407 PolarHBondContact O-N 3.2Å; V407-F410 PolarHBondContact O-N 2.9Å; V407-T411 HydrophobicContact CG1-CG2 4.14Å; V407-T411 VanDerWaalsContact O-CB 3.27Å; V407-T411 WeakPolarHBondContact O-CB 3.35Å; V407-T411 VanDerWaalsContact O-CG2 3.32Å; V407-T411 WeakPolarHBondContact O-CG2 3.36Å; V407-T411 PolarHBondContact O-N 3.26Å; V407-T411 PolarHBondContact O-OG1 2.9Å
408	I	48.8	Very low	45.9	Very low	42 Å²	42	111.9 Å²	111.9	22%	0.215	51%	0.508	C	S	.	.	H	α-helix	trans	-60.9	-47.9	170.6	-78.2	-179	0	0	0	110	Y404 F410 T411 V412 F420	Y404-I408 HydrophobicContact CD1-CD1 3.61Å; Y404-I408 HydrophobicContact CD1-CG1 4.38Å; Y404-I408 HydrophobicContact CE1-CD1 3.15Å; Y404-I408 HydrophobicContact CE1-CG1 4.22Å; Y404-I408 HydrophobicContact CE2-CD1 4.34Å; Y404-I408 HydrophobicContact CG-CD1 4.37Å; Y404-I408 VanDerWaalsContact O-CB 3.22Å; Y404-I408 WeakPolarHBondContact O-CB 3.13Å; Y404-I408 VanDerWaalsContact O-CG1 3.24Å; Y404-I408 WeakPolarHBondContact O-CG1 3.04Å; Y404-I408 PolarHBondContact O-N 3.07Å; I408-F410 VanDerWaalsContact C-N 3.34Å; I408-F410 PolarHBondContact O-N 2.76Å; I408-T411 VanDerWaalsContact CA-OG1 3.32Å; I408-T411 WeakPolarHBondContact CA-OG1 3.39Å; I408-T411 PolarHBondContact O-N 3.01Å; I408-T411 PolarHBondContact O-OG1 2.76Å; I408-V412 HydrophobicContact CG2-CG2 3.77Å; I408-V412 WeakPolarHBondContact O-CA 3.17Å; I408-V412 WeakPolarHBondContact O-CB 3.47Å; I408-V412 WeakPolarHBondContact O-CG2 3.42Å; I408-V412 PolarHBondContact O-N 2.96Å; I408-F420 HydrophobicContact CG2-CE2 4.26Å; I408-F420 HydrophobicContact CG2-CZ 4.11Å
409	R	44.4	Very low	45.9	Very low	195 Å²	195	103.6 Å²	103.6	74%	0.736	48%	0.478	S	S	*	.	H	α-helix	trans	-60.2	-43.5	178.2	-80.6	-174.6	-175.3	-168.6	2.6	112.3	N405 V406 Q413	N405-R409 WeakPolarHBondContact O-CB 3.44Å; N405-R409 WeakPolarHBondContact O-CG 3.33Å; N405-R409 PolarHBondContact O-N 3.09Å; V406-R409 PolarHBondContact O-N 3.11Å; R409-Q413 PolarHBondContact O-N 3.2Å
410	F	41.2	Very low	45.8	Very low	138 Å²	138	101.5 Å²	101.5	61%	0.605	47%	0.466	S	S	*	.	H	α-helix	trans	-69.2	-41	177.7	-103.8	-81.6	0	0	0	112.5	V406 V407 I408 Q413 R414	V406-F410 HydrophobicContact CG1-CD2 4.17Å; V406-F410 WeakPolarHBondContact O-CB 3.45Å; V406-F410 PolarHBondContact O-N 3.2Å; V407-F410 PolarHBondContact O-N 2.9Å; I408-F410 VanDerWaalsContact C-N 3.34Å; I408-F410 PolarHBondContact O-N 2.76Å; F410-Q413 PolarHBondContact O-N 3.38Å; F410-R414 PolarHBondContact O-N 2.94Å
411	T	41.8	Very low	46	Very low	56 Å²	56	99.2 Å²	99.2	34%	0.344	46%	0.46	S	S	.	.	H	α-helix	trans	-71.7	-33.2	175.7	51.2	0	0	0	0	111.6	V407 I408 Q413 R414 L415	V407-T411 HydrophobicContact CG1-CG2 4.14Å; V407-T411 VanDerWaalsContact O-CB 3.27Å; V407-T411 WeakPolarHBondContact O-CB 3.35Å; V407-T411 VanDerWaalsContact O-CG2 3.32Å; V407-T411 WeakPolarHBondContact O-CG2 3.36Å; V407-T411 PolarHBondContact O-N 3.26Å; V407-T411 PolarHBondContact O-OG1 2.9Å; I408-T411 VanDerWaalsContact CA-OG1 3.32Å; I408-T411 WeakPolarHBondContact CA-OG1 3.39Å; I408-T411 PolarHBondContact O-N 3.01Å; I408-T411 PolarHBondContact O-OG1 2.76Å; T411-Q413 VanDerWaalsContact C-N 3.32Å; T411-Q413 PolarHBondContact O-N 3.17Å; T411-R414 CarbonylContact O-C 3.59Å; T411-R414 PolarHBondContact O-N 3.46Å; T411-R414 VanDerWaalsContact O-N 3.11Å; T411-L415 WeakPolarHBondContact O-CB 3.39Å; T411-L415 VanDerWaalsContact O-CG 3.31Å; T411-L415 WeakPolarHBondContact O-CG 3.45Å; T411-L415 PolarHBondContact O-N 2.84Å
412	V	41.1	Very low	46.4	Very low	58 Å²	58	97.2 Å²	97.2	35%	0.352	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-31.4	172.9	167.5	0	0	0	0	111.6	I408 R414 F420	I408-V412 HydrophobicContact CG2-CG2 3.77Å; I408-V412 WeakPolarHBondContact O-CA 3.17Å; I408-V412 WeakPolarHBondContact O-CB 3.47Å; I408-V412 WeakPolarHBondContact O-CG2 3.42Å; I408-V412 PolarHBondContact O-N 2.96Å; V412-R414 VanDerWaalsContact C-N 3.31Å; V412-F420 HydrophobicContact CG2-CD1 4.11Å; V412-F420 HydrophobicContact CG2-CD2 3.7Å; V412-F420 HydrophobicContact CG2-CE1 4.08Å; V412-F420 HydrophobicContact CG2-CE2 3.68Å; V412-F420 HydrophobicContact CG2-CG 3.92Å; V412-F420 HydrophobicContact CG2-CZ 3.87Å
413	Q	43.8	Very low	46.9	Very low	160 Å²	160	93.3 Å²	93.3	75%	0.748	44%	0.438	S	S	*	.	H	α-helix	trans	-69.9	-29	170.5	-92.8	-177.3	-21.6	0	0	112.8	R409 F410 T411	R409-Q413 PolarHBondContact O-N 3.2Å; F410-Q413 PolarHBondContact O-N 3.38Å; T411-Q413 VanDerWaalsContact C-N 3.32Å; T411-Q413 PolarHBondContact O-N 3.17Å
414	R	40.8	Very low	47.3	Very low	210 Å²	210	91.2 Å²	91.2	79%	0.792	43%	0.427	S	S	*	.	H	α-helix	trans	-98.6	-32.6	-173.4	-128.4	174.8	179.1	159.4	-1	114.1	F410 T411 V412	F410-R414 PolarHBondContact O-N 2.94Å; T411-R414 CarbonylContact O-C 3.59Å; T411-R414 PolarHBondContact O-N 3.46Å; T411-R414 VanDerWaalsContact O-N 3.11Å; V412-R414 VanDerWaalsContact C-N 3.31Å
415	L	36.6	Very low	48	Very low	60 Å²	60	85.7 Å²	85.7	31%	0.314	41%	0.406	S	S	.	.	S	Bend	trans	-78.5	129.3	172.8	-69.7	168.8	0	0	0	107.7	T411 K417 E419	T411-L415 WeakPolarHBondContact O-CB 3.39Å; T411-L415 VanDerWaalsContact O-CG 3.31Å; T411-L415 WeakPolarHBondContact O-CG 3.45Å; T411-L415 PolarHBondContact O-N 2.84Å; L415-K417 PolarHBondContact O-N 3.43Å; L415-E419 VanDerWaalsContact CA-OE2 3.23Å; L415-E419 WeakPolarHBondContact CA-OE2 3.12Å; L415-E419 HydrophobicContact CB-CB 4.17Å; L415-E419 HydrophobicContact CD2-CB 4.08Å; L415-E419 WeakPolarHBondContact CD2-OE2 3.48Å
416	N	47.9	Very low	48.8	Very low	66 Å²	66	82.9 Å²	82.9	35%	0.353	39%	0.391	S	S	.	.			trans	-54.4	136.3	171	-66.9	-58.1	0	0	0	107.6	W418 E419 F420	N416-W418 HydrophobicContact CB-CG 4.24Å; N416-W418 VanDerWaalsContact CB-NE1 3.29Å; N416-W418 CarbonylContact O-C 3.55Å; N416-W418 PolarHBondContact O-N 3.27Å; N416-E419 HydrophobicContact CB-CG 4.32Å; N416-E419 PolarHBondContact N-OE2 3.48Å; N416-E419 WeakPolarHBondContact O-CB 3.18Å; N416-E419 PolarHBondContact O-N 3Å; N416-F420 PolarHBondContact O-N 3.34Å
417	K	47.9	Very low	49.5	Very low	174 Å²	174	84.8 Å²	84.8	76%	0.757	39%	0.392	S	S	*	.	H	α-helix	trans	-45	-27.3	-175.9	-74.1	-180	177.6	177.1	0	114.7	L415 A421	L415-K417 PolarHBondContact O-N 3.43Å; K417-A421 WeakPolarHBondContact O-CB 3.29Å; K417-A421 PolarHBondContact O-N 2.84Å
418	W	45.5	Very low	50.4	Low	67 Å²	67	82.7 Å²	82.7	25%	0.254	38%	0.378	S	S	.	.	H	α-helix	trans	-76.5	-35.5	176.5	72.3	-98.7	0	0	0	114.3	R243 L261 I264 N265 N416 F420 A421 H422	R243-W418 VanDerWaalsContact NH2-NE1 3.19Å; L261-W418 HydrophobicContact CB-CZ3 4.3Å; L261-W418 WeakPolarHBondContact O-CH2 3.33Å; I264-W418 HydrophobicContact CB-CH2 4.05Å; I264-W418 HydrophobicContact CB-CZ2 4.01Å; I264-W418 HydrophobicContact CG2-CH2 4.34Å; I264-W418 HydrophobicContact CG2-CZ2 3.84Å; N265-W418 HydrophobicContact CB-CH2 3.99Å; N265-W418 HydrophobicContact CB-CZ2 3.98Å; N265-W418 WeakPolarHBondContact ND2-CH2 3.42Å; N265-W418 WeakPolarHBondContact ND2-CZ2 3.36Å; N265-W418 WeakPolarHBondContact OD1-CH2 3.32Å; N265-W418 WeakPolarHBondContact OD1-CZ2 3.5Å; N416-W418 HydrophobicContact CB-CG 4.24Å; N416-W418 VanDerWaalsContact CB-NE1 3.29Å; N416-W418 CarbonylContact O-C 3.55Å; N416-W418 PolarHBondContact O-N 3.27Å; W418-F420 VanDerWaalsContact C-N 3.34Å; W418-A421 PolarHBondContact O-N 3.33Å; W418-H422 VanDerWaalsContact O-CB 3.3Å; W418-H422 WeakPolarHBondContact O-CB 3.48Å; W418-H422 PolarHBondContact O-N 3.12Å
419	E	45	Very low	51.7	Low	44 Å²	44	81.3 Å²	81.3	21%	0.206	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-44.5	176.4	-68.5	174.4	137.5	0	0	109.3	N265 L415 N416 H422 F423	N265-E419 PolarHBondContact ND2-OE1 3.31Å; N265-E419 PolarHBondContact OD1-OE1 2.93Å; L415-E419 VanDerWaalsContact CA-OE2 3.23Å; L415-E419 WeakPolarHBondContact CA-OE2 3.12Å; L415-E419 HydrophobicContact CB-CB 4.17Å; L415-E419 HydrophobicContact CD2-CB 4.08Å; L415-E419 WeakPolarHBondContact CD2-OE2 3.48Å; N416-E419 HydrophobicContact CB-CG 4.32Å; N416-E419 PolarHBondContact N-OE2 3.48Å; N416-E419 WeakPolarHBondContact O-CB 3.18Å; N416-E419 PolarHBondContact O-N 3Å; E419-H422 PolarHBondContact O-N 2.92Å; E419-F423 WeakPolarHBondContact O-CB 3.37Å; E419-F423 PolarHBondContact O-N 2.76Å
420	F	48.7	Very low	53.2	Low	50 Å²	50	75.9 Å²	75.9	22%	0.219	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-43.7	175.1	-170.8	-101.6	0	0	0	111.4	I408 V412 N416 W418 H422 F423 L424	I408-F420 HydrophobicContact CG2-CE2 4.26Å; I408-F420 HydrophobicContact CG2-CZ 4.11Å; V412-F420 HydrophobicContact CG2-CD1 4.11Å; V412-F420 HydrophobicContact CG2-CD2 3.7Å; V412-F420 HydrophobicContact CG2-CE1 4.08Å; V412-F420 HydrophobicContact CG2-CE2 3.68Å; V412-F420 HydrophobicContact CG2-CG 3.92Å; V412-F420 HydrophobicContact CG2-CZ 3.87Å; N416-F420 PolarHBondContact O-N 3.34Å; W418-F420 VanDerWaalsContact C-N 3.34Å; F420-H422 VanDerWaalsContact C-N 3.34Å; F420-H422 PolarHBondContact O-N 3.38Å; F420-F423 PolarHBondContact O-N 3.27Å; F420-L424 HydrophobicContact CD1-CD1 4.31Å; F420-L424 HydrophobicContact CE1-CD1 3.64Å; F420-L424 HydrophobicContact CE2-CD1 4.19Å; F420-L424 HydrophobicContact CZ-CD1 3.57Å; F420-L424 WeakPolarHBondContact O-CB 3.42Å; F420-L424 PolarHBondContact O-N 2.88Å
421	A	53.3	Low	54.7	Low	38 Å²	38	72.1 Å²	72.1	31%	0.314	35%	0.345	S	S	.	.	H	α-helix	trans	-63.4	-38.5	177.2	0	0	0	0	0	112.8	K417 W418 F425	K417-A421 WeakPolarHBondContact O-CB 3.29Å; K417-A421 PolarHBondContact O-N 2.84Å; W418-A421 PolarHBondContact O-N 3.33Å; A421-F425 WeakPolarHBondContact O-CB 3.44Å; A421-F425 PolarHBondContact O-N 3.46Å
422	H	55.5	Low	56.1	Low	33 Å²	33	69.8 Å²	69.8	15%	0.153	33%	0.331	C	S	.	.	H	α-helix	trans	-73.1	-40.7	176.3	-178.3	63.5	0	0	0	112	L261 W418 E419 F420 F425 M426	L261-H422 HydrophobicContact CD1-CB 4.39Å; L261-H422 WeakPolarHBondContact CD1-CE1 2.92Å; L261-H422 WeakPolarHBondContact CD1-ND1 3.22Å; W418-H422 VanDerWaalsContact O-CB 3.3Å; W418-H422 WeakPolarHBondContact O-CB 3.48Å; W418-H422 PolarHBondContact O-N 3.12Å; E419-H422 PolarHBondContact O-N 2.92Å; F420-H422 VanDerWaalsContact C-N 3.34Å; F420-H422 PolarHBondContact O-N 3.38Å; H422-F425 CarbonylContact O-C 3.54Å; H422-F425 WeakPolarHBondContact O-CA 3.25Å; H422-F425 WeakPolarHBondContact O-CB 3.47Å; H422-F425 PolarHBondContact O-N 2.8Å; H422-F425 VanDerWaalsContact O-N 3.11Å; H422-M426 WeakPolarHBondContact NE2-CG 3.42Å; H422-M426 PolarHBondContact O-N 3.21Å
423	F	56	Low	58.1	Low	106 Å²	106	68.3 Å²	68.3	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-57.5	-50.8	171.9	-177.1	-93.3	0	0	0	109.8	E419 F420 F425 M426 F427	E419-F423 WeakPolarHBondContact O-CB 3.37Å; E419-F423 PolarHBondContact O-N 2.76Å; F420-F423 PolarHBondContact O-N 3.27Å; F423-F425 VanDerWaalsContact C-N 3.25Å; F423-F425 PolarHBondContact O-N 2.92Å; F423-M426 PolarHBondContact O-N 2.75Å; F423-M426 VanDerWaalsContact O-N 3.14Å; F423-F427 AromaticContact CD1-CD2 3.92Å; F423-F427 HydrophobicContact CD1-CD2 3.92Å; F423-F427 AromaticContact CD1-CE2 3.93Å; F423-F427 HydrophobicContact CD1-CE2 3.93Å; F423-F427 HydrophobicContact CD2-CD2 4.47Å; F423-F427 HydrophobicContact CD2-CE2 4.04Å; F423-F427 AromaticContact CE1-CD2 3.72Å; F423-F427 HydrophobicContact CE1-CD2 3.72Å; F423-F427 AromaticContact CE1-CE2 3.34Å; F423-F427 HydrophobicContact CE1-CE2 3.34Å; F423-F427 HydrophobicContact CE1-CZ 4.03Å; F423-F427 HydrophobicContact CE2-CD2 4.31Å; F423-F427 AromaticContact CE2-CE2 3.48Å; F423-F427 HydrophobicContact CE2-CE2 3.48Å; F423-F427 VanDerWaalsContact CE2-CE2 3.48Å; F423-F427 HydrophobicContact CE2-CZ 4.3Å; F423-F427 HydrophobicContact CG-CD2 4.31Å; F423-F427 HydrophobicContact CG-CE2 4.26Å; F423-F427 AromaticContact CZ-CD2 3.95Å; F423-F427 HydrophobicContact CZ-CD2 3.95Å; F423-F427 AromaticContact CZ-CE2 3.11Å; F423-F427 HydrophobicContact CZ-CE2 3.11Å; F423-F427 AromaticContact CZ-CZ 3.67Å; F423-F427 HydrophobicContact CZ-CZ 3.67Å; F423-F427 VanDerWaalsContact O-CD2 3.31Å; F423-F427 WeakPolarHBondContact O-CD2 3.35Å; F423-F427 PolarHBondContact O-N 3.24Å
424	L	57.4	Low	59.8	Low	50 Å²	50	66.9 Å²	66.9	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-55.7	-42.3	173.6	-128	79.9	0	0	0	111.6	F420 F427 K428	F420-L424 HydrophobicContact CD1-CD1 4.31Å; F420-L424 HydrophobicContact CE1-CD1 3.64Å; F420-L424 HydrophobicContact CE2-CD1 4.19Å; F420-L424 HydrophobicContact CZ-CD1 3.57Å; F420-L424 WeakPolarHBondContact O-CB 3.42Å; F420-L424 PolarHBondContact O-N 2.88Å; L424-F427 PolarHBondContact O-N 2.98Å; L424-K428 WeakPolarHBondContact O-CD 3.39Å; L424-K428 WeakPolarHBondContact O-CG 3.41Å; L424-K428 PolarHBondContact O-N 3.06Å
425	F	62.9	Low	61.5	Low	20 Å²	20	60.2 Å²	60.2	9%	0.088	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-46	177.1	174.9	-92.8	0	0	0	112.1	H254 L323 L342 A421 H422 F423 F427 K428 I429	H254-F425 WeakPolarHBondContact O-CE2 3.15Å; H254-F425 WeakPolarHBondContact O-CZ 3.42Å; L323-F425 HydrophobicContact CD1-CE1 4.48Å; L323-F425 HydrophobicContact CD1-CZ 4.09Å; L342-F425 HydrophobicContact CD1-CE2 3.9Å; L342-F425 HydrophobicContact CD2-CD2 3.8Å; L342-F425 HydrophobicContact CD2-CE2 3.36Å; L342-F425 HydrophobicContact CD2-CZ 4.43Å; L342-F425 HydrophobicContact CG-CE2 4.24Å; A421-F425 WeakPolarHBondContact O-CB 3.44Å; A421-F425 PolarHBondContact O-N 3.46Å; H422-F425 CarbonylContact O-C 3.54Å; H422-F425 WeakPolarHBondContact O-CA 3.25Å; H422-F425 WeakPolarHBondContact O-CB 3.47Å; H422-F425 PolarHBondContact O-N 2.8Å; H422-F425 VanDerWaalsContact O-N 3.11Å; F423-F425 VanDerWaalsContact C-N 3.25Å; F423-F425 PolarHBondContact O-N 2.92Å; F425-F427 VanDerWaalsContact C-N 3.27Å; F425-F427 PolarHBondContact O-N 3.01Å; F425-K428 WeakPolarHBondContact O-CA 3.47Å; F425-K428 WeakPolarHBondContact O-CB 3.37Å; F425-K428 PolarHBondContact O-N 3.33Å; F425-I429 HydrophobicContact CD1-CD1 4.33Å; F425-I429 HydrophobicContact CE1-CD1 3.85Å; F425-I429 HydrophobicContact CE1-CG1 4.14Å; F425-I429 HydrophobicContact CZ-CG1 4.47Å; F425-I429 PolarHBondContact O-N 2.94Å
426	M	64.9	Low	63.7	Low	24 Å²	24	57.4 Å²	57.4	12%	0.118	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-32.1	176.8	-77.8	-144.3	80.6	0	0	113.3	P258 H422 F423 K428 R454	P258-M426 HydrophobicContact CB-CE 4.22Å; P258-M426 HydrophobicContact CB-SD 3.96Å; P258-M426 HydrophobicContact CG-CE 3.38Å; P258-M426 HydrophobicContact CG-SD 3.74Å; H422-M426 WeakPolarHBondContact NE2-CG 3.42Å; H422-M426 PolarHBondContact O-N 3.21Å; F423-M426 PolarHBondContact O-N 2.75Å; F423-M426 VanDerWaalsContact O-N 3.14Å; M426-K428 PolarHBondContact O-N 3.35Å; M426-R454 HydrophobicContact CE-CB 4.37Å; M426-R454 HydrophobicContact CE-CG 3.54Å
427	F	66	Low	65.4	Low	121 Å²	121	56.3 Å²	56.3	53%	0.531	27%	0.268	S	S	.	.	H	α-helix	trans	-71.2	-20.4	173.2	-88.9	-96.9	0	0	0	112.8	F423 L424 F425	F423-F427 AromaticContact CD1-CD2 3.92Å; F423-F427 HydrophobicContact CD1-CD2 3.92Å; F423-F427 AromaticContact CD1-CE2 3.93Å; F423-F427 HydrophobicContact CD1-CE2 3.93Å; F423-F427 HydrophobicContact CD2-CD2 4.47Å; F423-F427 HydrophobicContact CD2-CE2 4.04Å; F423-F427 AromaticContact CE1-CD2 3.72Å; F423-F427 HydrophobicContact CE1-CD2 3.72Å; F423-F427 AromaticContact CE1-CE2 3.34Å; F423-F427 HydrophobicContact CE1-CE2 3.34Å; F423-F427 HydrophobicContact CE1-CZ 4.03Å; F423-F427 HydrophobicContact CE2-CD2 4.31Å; F423-F427 AromaticContact CE2-CE2 3.48Å; F423-F427 HydrophobicContact CE2-CE2 3.48Å; F423-F427 VanDerWaalsContact CE2-CE2 3.48Å; F423-F427 HydrophobicContact CE2-CZ 4.3Å; F423-F427 HydrophobicContact CG-CD2 4.31Å; F423-F427 HydrophobicContact CG-CE2 4.26Å; F423-F427 AromaticContact CZ-CD2 3.95Å; F423-F427 HydrophobicContact CZ-CD2 3.95Å; F423-F427 AromaticContact CZ-CE2 3.11Å; F423-F427 HydrophobicContact CZ-CE2 3.11Å; F423-F427 AromaticContact CZ-CZ 3.67Å; F423-F427 HydrophobicContact CZ-CZ 3.67Å; F423-F427 VanDerWaalsContact O-CD2 3.31Å; F423-F427 WeakPolarHBondContact O-CD2 3.35Å; F423-F427 PolarHBondContact O-N 3.24Å; L424-F427 PolarHBondContact O-N 2.98Å; F425-F427 VanDerWaalsContact C-N 3.27Å; F425-F427 PolarHBondContact O-N 3.01Å
428	K	68.6	Low	67.1	Low	24 Å²	24	53.4 Å²	53.4	10%	0.104	27%	0.269	C	S	.	.	H	α-helix	trans	-90.7	-16.9	-177.7	-70.9	170	175.9	-162.4	0	113	I345 D349 L424 F425 M426 E431 A432	I345-K428 HydrophobicContact CB-CD 4.05Å; I345-K428 HydrophobicContact CB-CG 4.45Å; I345-K428 HydrophobicContact CG2-CB 3.82Å; I345-K428 HydrophobicContact CG2-CD 3.29Å; I345-K428 HydrophobicContact CG2-CG 3.36Å; I345-K428 PolarHBondContact O-NZ 3.44Å; D349-K428 IonicContact OD2-NZ 3.36Å; D349-K428 PolarHBondContact OD2-NZ 3.32Å; L424-K428 WeakPolarHBondContact O-CD 3.39Å; L424-K428 WeakPolarHBondContact O-CG 3.41Å; L424-K428 PolarHBondContact O-N 3.06Å; F425-K428 WeakPolarHBondContact O-CA 3.47Å; F425-K428 WeakPolarHBondContact O-CB 3.37Å; F425-K428 PolarHBondContact O-N 3.33Å; M426-K428 PolarHBondContact O-N 3.35Å; K428-E431 PolarHBondContact O-N 3.33Å; K428-A432 PolarHBondContact O-N 2.78Å
429	I	75.9	Confident	68.9	Low	13 Å²	13	57 Å²	57	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-48.1	178.2	-62.7	176.5	0	0	0	112.7	F319 L323 F425 E431 A432 F433 L452	F319-I429 HydrophobicContact CE1-CD1 4.42Å; F319-I429 HydrophobicContact CE2-CD1 4.46Å; F319-I429 HydrophobicContact CZ-CD1 3.61Å; L323-I429 HydrophobicContact CD2-CD1 4.43Å; L323-I429 HydrophobicContact CD2-CG1 4.36Å; L323-I429 HydrophobicContact CD2-CG2 4.45Å; F425-I429 HydrophobicContact CD1-CD1 4.33Å; F425-I429 HydrophobicContact CE1-CD1 3.85Å; F425-I429 HydrophobicContact CE1-CG1 4.14Å; F425-I429 HydrophobicContact CZ-CG1 4.47Å; F425-I429 PolarHBondContact O-N 2.94Å; I429-E431 PolarHBondContact O-N 3.12Å; I429-A432 PolarHBondContact O-N 3.39Å; I429-F433 WeakPolarHBondContact O-CB 3.31Å; I429-F433 PolarHBondContact O-N 3.46Å; I429-L452 HydrophobicContact CG2-CB 4.21Å; I429-L452 HydrophobicContact CG2-CD1 4.05Å; I429-L452 HydrophobicContact CG2-CD2 4.31Å; I429-L452 HydrophobicContact CG2-CG 4.43Å
430	P	76.6	Confident	70.9	Confident	81 Å²	81	55.4 Å²	55.4	53%	0.526	28%	0.275	S	S	.	.	H	α-helix	trans	-58	-38	177.6	-25.8	35.6	0	0	0	112.7	R434	P430-R434 VanDerWaalsContact O-CB 3.31Å; P430-R434 WeakPolarHBondContact O-CB 3.24Å; P430-R434 PolarHBondContact O-N 3.42Å
431	E	72.7	Confident	72.9	Confident	60 Å²	60	54.8 Å²	54.8	28%	0.28	28%	0.276	S	S	.	.	H	α-helix	trans	-70.3	-42.4	177.4	-178	59.9	-167.1	0	0	111.9	K428 I429 F433 R434 L435	K428-E431 PolarHBondContact O-N 3.33Å; I429-E431 PolarHBondContact O-N 3.12Å; E431-F433 VanDerWaalsContact C-N 3.34Å; E431-F433 PolarHBondContact O-N 3.1Å; E431-R434 WeakPolarHBondContact O-CB 3.45Å; E431-R434 PolarHBondContact O-N 2.93Å; E431-R434 IonicContact OE1-CZ 2.77Å; E431-R434 IonicContact OE1-NE 3.46Å; E431-R434 PolarHBondContact OE1-NE 3.1Å; E431-R434 IonicContact OE1-NH2 3.55Å; E431-R434 PolarHBondContact OE1-NH2 2.96Å; E431-R434 IonicContact OE2-CZ 2.73Å; E431-R434 IonicContact OE2-NE 2.63Å; E431-R434 PolarHBondContact OE2-NE 3.46Å; E431-R434 IonicContact OE2-NH2 3.52Å; E431-L435 WeakPolarHBondContact O-CG 3.11Å; E431-L435 PolarHBondContact O-N 2.98Å
432	A	71.2	Confident	74.6	Confident	6 Å²	6	60.1 Å²	60.1	5%	0.05	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-42.6	174.6	0	0	0	0	0	111.8	W341 I345 K428 I429 L435 S436	W341-A432 HydrophobicContact CH2-CB 4.34Å; W341-A432 HydrophobicContact CZ3-CB 4.16Å; I345-A432 HydrophobicContact CD1-CB 4.38Å; K428-A432 PolarHBondContact O-N 2.78Å; I429-A432 PolarHBondContact O-N 3.39Å; A432-L435 PolarHBondContact O-N 3.48Å; A432-S436 PolarHBondContact O-N 3.45Å; A432-S436 VanDerWaalsContact O-N 3.09Å
433	F	83.3	Confident	76.3	Confident	28 Å²	28	63.6 Å²	63.6	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-51.5	172.7	178.9	-108.7	0	0	0	110.2	I429 E431 L435 S436 V437 V445 V448 E449 L452	I429-F433 WeakPolarHBondContact O-CB 3.31Å; I429-F433 PolarHBondContact O-N 3.46Å; E431-F433 VanDerWaalsContact C-N 3.34Å; E431-F433 PolarHBondContact O-N 3.1Å; F433-L435 VanDerWaalsContact C-N 3.27Å; F433-L435 PolarHBondContact O-N 3.12Å; F433-S436 WeakPolarHBondContact O-CA 3.49Å; F433-S436 WeakPolarHBondContact O-CB 3.25Å; F433-S436 PolarHBondContact O-N 3.31Å; F433-S436 PolarHBondContact O-OG 2.65Å; F433-V437 HydrophobicContact CD1-CG2 3.74Å; F433-V437 HydrophobicContact CD2-CG2 3.94Å; F433-V437 HydrophobicContact CE1-CG2 3.4Å; F433-V437 VanDerWaalsContact CE1-CG2 3.4Å; F433-V437 HydrophobicContact CE2-CG2 3.61Å; F433-V437 HydrophobicContact CG-CG2 4Å; F433-V437 HydrophobicContact CZ-CG2 3.33Å; F433-V437 VanDerWaalsContact O-CG2 3.24Å; F433-V437 WeakPolarHBondContact O-CG2 3.47Å; F433-V437 PolarHBondContact O-N 2.96Å; F433-V445 HydrophobicContact CZ-CG1 4.07Å; F433-V448 HydrophobicContact CD2-CG1 4.19Å; F433-V448 HydrophobicContact CE2-CB 4.23Å; F433-V448 HydrophobicContact CE2-CG1 3.97Å; F433-E449 HydrophobicContact CE1-CB 4.06Å; F433-E449 HydrophobicContact CE1-CG 4.04Å; F433-E449 HydrophobicContact CE2-CB 4.16Å; F433-E449 HydrophobicContact CZ-CB 3.59Å; F433-E449 HydrophobicContact CZ-CG 4.11Å; F433-L452 HydrophobicContact CB-CD1 4.14Å; F433-L452 HydrophobicContact CD2-CD1 3.87Å; F433-L452 HydrophobicContact CG-CD1 4.3Å
434	R	79.8	Confident	78.1	Confident	130 Å²	130	58.6 Å²	58.6	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-53.3	-41.5	177.9	-167.7	-168.5	70	73.8	-0.1	112.9	P430 E431 S436	P430-R434 VanDerWaalsContact O-CB 3.31Å; P430-R434 WeakPolarHBondContact O-CB 3.24Å; P430-R434 PolarHBondContact O-N 3.42Å; E431-R434 WeakPolarHBondContact O-CB 3.45Å; E431-R434 PolarHBondContact O-N 2.93Å; E431-R434 IonicContact OE1-CZ 2.77Å; E431-R434 IonicContact OE1-NE 3.46Å; E431-R434 PolarHBondContact OE1-NE 3.1Å; E431-R434 IonicContact OE1-NH2 3.55Å; E431-R434 PolarHBondContact OE1-NH2 2.96Å; E431-R434 IonicContact OE2-CZ 2.73Å; E431-R434 IonicContact OE2-NE 2.63Å; E431-R434 PolarHBondContact OE2-NE 3.46Å; E431-R434 IonicContact OE2-NH2 3.52Å; R434-S436 VanDerWaalsContact C-N 3.35Å
435	L	76.7	Confident	79.8	Confident	70 Å²	70	57.6 Å²	57.6	37%	0.366	29%	0.289	S	S	.	.	H	α-helix	trans	-69.6	-30.4	176.6	-68.1	173.3	0	0	0	113.2	T330 E431 A432 F433	T330-L435 HydrophobicContact CG2-CB 4.19Å; E431-L435 WeakPolarHBondContact O-CG 3.11Å; E431-L435 PolarHBondContact O-N 2.98Å; A432-L435 PolarHBondContact O-N 3.48Å; F433-L435 VanDerWaalsContact C-N 3.27Å; F433-L435 PolarHBondContact O-N 3.12Å
436	S	81.5	Confident	81.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-80.3	-34.3	179.1	76.8	0	0	0	0	113.3	C326 A432 F433 R434 C438 R439 M440	C326-S436 PolarHBondContact SG-OG 3.15Å; A432-S436 PolarHBondContact O-N 3.45Å; A432-S436 VanDerWaalsContact O-N 3.09Å; F433-S436 WeakPolarHBondContact O-CA 3.49Å; F433-S436 WeakPolarHBondContact O-CB 3.25Å; F433-S436 PolarHBondContact O-N 3.31Å; F433-S436 PolarHBondContact O-OG 2.65Å; R434-S436 VanDerWaalsContact C-N 3.35Å; S436-C438 VanDerWaalsContact C-N 3.29Å; S436-C438 PolarHBondContact O-N 3.48Å; S436-R439 PolarHBondContact O-N 3.28Å; S436-R439 VanDerWaalsContact O-N 3.09Å; S436-M440 PolarHBondContact O-N 3.25Å
437	V	84.8	Confident	82.7	Confident	43 Å²	43	61.8 Å²	61.8	26%	0.261	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-39	-172.2	165.1	0	0	0	0	112.1	F433 R439 M440 V445	F433-V437 HydrophobicContact CD1-CG2 3.74Å; F433-V437 HydrophobicContact CD2-CG2 3.94Å; F433-V437 HydrophobicContact CE1-CG2 3.4Å; F433-V437 VanDerWaalsContact CE1-CG2 3.4Å; F433-V437 HydrophobicContact CE2-CG2 3.61Å; F433-V437 HydrophobicContact CG-CG2 4Å; F433-V437 HydrophobicContact CZ-CG2 3.33Å; F433-V437 VanDerWaalsContact O-CG2 3.24Å; F433-V437 WeakPolarHBondContact O-CG2 3.47Å; F433-V437 PolarHBondContact O-N 2.96Å; V437-R439 PolarHBondContact O-N 3.06Å; V437-M440 PolarHBondContact O-N 3.38Å; V437-M440 VanDerWaalsContact O-N 3.12Å; V437-V445 HydrophobicContact CG1-CG1 4.11Å; V437-V445 HydrophobicContact CG1-CG2 4.26Å; V437-V445 HydrophobicContact CG2-CG1 4.26Å
438	C	82.1	Confident	84.1	Confident	114 Å²	114	56 Å²	56	77%	0.77	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.9	-179.1	-59.8	0	0	0	0	114.5	S436	S436-C438 VanDerWaalsContact C-N 3.29Å; S436-C438 PolarHBondContact O-N 3.48Å
439	R	83.5	Confident	85.2	Confident	141 Å²	141	60.5 Å²	60.5	53%	0.532	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-4.6	179.6	-65.4	176.8	-179.1	162.6	4.5	112.9	Y329 T330 S436 V437	Y329-R439 VanDerWaalsContact CD1-O 3.3Å; Y329-R439 WeakPolarHBondContact CD1-O 3.19Å; Y329-R439 WeakPolarHBondContact O-CD 3.35Å; T330-R439 PolarHBondContact O-NH1 3.24Å; S436-R439 PolarHBondContact O-N 3.28Å; S436-R439 VanDerWaalsContact O-N 3.09Å; V437-R439 PolarHBondContact O-N 3.06Å
440	M	86.6	Confident	86.1	Confident	11 Å²	11	64.4 Å²	64.4	5%	0.054	32%	0.322	C	S	.	.	S	Bend	trans	-84.3	139.4	-178.4	-169.1	178.6	-59.5	0	0	109.6	I325 Y329 S436 V437 L444 V445 V448	I325-M440 HydrophobicContact CG2-CE 3.9Å; I325-M440 HydrophobicContact CG2-SD 4.42Å; Y329-M440 HydrophobicContact CD2-CB 4.43Å; Y329-M440 HydrophobicContact CD2-CE 4.16Å; Y329-M440 HydrophobicContact CD2-CG 4.08Å; Y329-M440 HydrophobicContact CE2-CG 4.16Å; Y329-M440 HydrophobicContact CG-CB 4.34Å; Y329-M440 HydrophobicContact CG-CG 4.46Å; S436-M440 PolarHBondContact O-N 3.25Å; V437-M440 PolarHBondContact O-N 3.38Å; V437-M440 VanDerWaalsContact O-N 3.12Å; M440-L444 HydrophobicContact CG-CB 3.69Å; M440-L444 HydrophobicContact CG-CD1 4.32Å; M440-L444 HydrophobicContact SD-CB 3.64Å; M440-V445 HydrophobicContact CB-CG2 4.36Å; M440-V445 HydrophobicContact CG-CG2 4.47Å; M440-V445 HydrophobicContact SD-CG2 4.43Å; M440-V448 HydrophobicContact CE-CB 4.33Å; M440-V448 HydrophobicContact CE-CG1 4.06Å; M440-V448 HydrophobicContact CE-CG2 4.32Å; M440-V448 HydrophobicContact SD-CB 4.03Å; M440-V448 HydrophobicContact SD-CG1 4.42Å; M440-V448 HydrophobicContact SD-CG2 3.85Å
441	P	90.7	Very high	86.9	Confident	37 Å²	37	60.5 Å²	60.5	24%	0.24	30%	0.297	C	S	.	.			trans	-53.3	138.8	168.5	-26.3	34.7	0	0	0	111.2	Y329 E443 L444 V445 F470	Y329-P441 HydrophobicContact CE1-CG 4.33Å; Y329-P441 VanDerWaalsContact CZ-CD 3.49Å; Y329-P441 WeakPolarHBondContact OH-CD 3.44Å; P441-E443 WeakPolarHBondContact CB-OE2 3.41Å; P441-E443 PolarHBondContact O-N 3.45Å; P441-E443 VanDerWaalsContact O-N 3.14Å; P441-L444 HydrophobicContact CG-CD1 4.45Å; P441-L444 PolarHBondContact O-N 3.28Å; P441-V445 PolarHBondContact O-N 3.07Å; P441-F470 HydrophobicContact CB-CD2 4.06Å; P441-F470 HydrophobicContact CB-CE2 3.75Å; P441-F470 HydrophobicContact CG-CD2 4.42Å; P441-F470 HydrophobicContact CG-CE2 3.61Å; P441-F470 HydrophobicContact CG-CZ 4.25Å
442	L	89.8	Confident	87.8	Confident	150 Å²	150	58.5 Å²	58.5	79%	0.785	29%	0.288	S	S	*	.	H	α-helix	trans	-57.6	-33.7	-174.6	-66.5	175.9	0	0	0	112.1	L444 V445	L442-L444 PolarHBondContact O-N 3.49Å; L442-V445 PolarHBondContact O-N 3.48Å
443	E	91.9	Very high	88.6	Confident	107 Å²	107	59.5 Å²	59.5	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-66.6	-19.5	179.6	-55.6	83	176.8	0	0	113.3	P441 P447 F470	P441-E443 WeakPolarHBondContact CB-OE2 3.41Å; P441-E443 PolarHBondContact O-N 3.45Å; P441-E443 VanDerWaalsContact O-N 3.14Å; E443-P447 WeakPolarHBondContact O-CD 3.31Å; E443-P447 WeakPolarHBondContact O-CG 3.45Å; E443-F470 HydrophobicContact CB-CB 3.94Å; E443-F470 HydrophobicContact CB-CD2 4.42Å
444	L	93.8	Very high	88.5	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-96.5	-20.6	178	-75.8	-178.1	0	0	0	113.5	I179 Y329 M440 P441 L442 P447 V448 F465 L468 F470	I179-L444 HydrophobicContact CD1-CD1 4.44Å; Y329-L444 HydrophobicContact CE2-CD1 4.01Å; M440-L444 HydrophobicContact CG-CB 3.69Å; M440-L444 HydrophobicContact CG-CD1 4.32Å; M440-L444 HydrophobicContact SD-CB 3.64Å; P441-L444 HydrophobicContact CG-CD1 4.45Å; P441-L444 PolarHBondContact O-N 3.28Å; L442-L444 PolarHBondContact O-N 3.49Å; L444-P447 WeakPolarHBondContact O-CD 3.5Å; L444-V448 HydrophobicContact CB-CG2 4.29Å; L444-V448 VanDerWaalsContact O-CB 3.29Å; L444-V448 WeakPolarHBondContact O-CB 3.33Å; L444-V448 WeakPolarHBondContact O-CG2 3.08Å; L444-V448 PolarHBondContact O-N 3.43Å; L444-F465 HydrophobicContact CD2-CZ 4.13Å; L444-L468 HydrophobicContact CD2-CD1 4.13Å; L444-F470 HydrophobicContact CD1-CD1 3.96Å; L444-F470 HydrophobicContact CD1-CD2 4.33Å; L444-F470 HydrophobicContact CD1-CE1 3.58Å; L444-F470 HydrophobicContact CD1-CE2 4Å; L444-F470 HydrophobicContact CD1-CG 4.31Å; L444-F470 HydrophobicContact CD1-CZ 3.61Å; L444-F470 HydrophobicContact CD2-CB 4.31Å; L444-F470 HydrophobicContact CD2-CD1 3.61Å; L444-F470 HydrophobicContact CD2-CE1 4.06Å; L444-F470 HydrophobicContact CD2-CG 3.92Å; L444-F470 HydrophobicContact CG-CB 4.48Å; L444-F470 HydrophobicContact CG-CD1 3.79Å; L444-F470 HydrophobicContact CG-CD2 4.01Å; L444-F470 HydrophobicContact CG-CE1 3.97Å; L444-F470 HydrophobicContact CG-CE2 4.2Å; L444-F470 HydrophobicContact CG-CG 3.81Å; L444-F470 HydrophobicContact CG-CZ 4.17Å
445	V	92.8	Very high	88.8	Confident	30 Å²	30	62 Å²	62	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-57.7	-171.3	175.3	0	0	0	0	111.8	F433 V437 M440 P441 L442 V448 E449	F433-V445 HydrophobicContact CZ-CG1 4.07Å; V437-V445 HydrophobicContact CG1-CG1 4.11Å; V437-V445 HydrophobicContact CG1-CG2 4.26Å; V437-V445 HydrophobicContact CG2-CG1 4.26Å; M440-V445 HydrophobicContact CB-CG2 4.36Å; M440-V445 HydrophobicContact CG-CG2 4.47Å; M440-V445 HydrophobicContact SD-CG2 4.43Å; P441-V445 PolarHBondContact O-N 3.07Å; L442-V445 PolarHBondContact O-N 3.48Å; V445-V448 PolarHBondContact O-N 3.01Å; V445-E449 WeakPolarHBondContact O-CB 3.37Å; V445-E449 PolarHBondContact O-N 3.32Å
446	E	93.9	Very high	89.2	Confident	114 Å²	114	59.3 Å²	59.3	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-46.5	-179.5	176.1	-167.8	177.7	0	0	112.2	V448 E449 K450	E446-V448 PolarHBondContact O-N 2.89Å; E446-E449 PolarHBondContact O-N 3.01Å; E446-K450 HydrophobicContact CG-CD 4.48Å; E446-K450 WeakPolarHBondContact O-CG 3.45Å; E446-K450 PolarHBondContact O-N 3.48Å; E446-K450 VanDerWaalsContact OE1-CE 3.24Å; E446-K450 WeakPolarHBondContact OE1-CE 3.35Å; E446-K450 IonicContact OE1-NZ 3.13Å; E446-K450 PolarHBondContact OE1-NZ 2.99Å
447	P	95	Very high	89.4	Confident	18 Å²	18	64.3 Å²	64.3	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-57.9	-42	175	-28.4	35.7	0	0	0	114.2	E443 L444 K450 L451 F465 L468	E443-P447 WeakPolarHBondContact O-CD 3.31Å; E443-P447 WeakPolarHBondContact O-CG 3.45Å; L444-P447 WeakPolarHBondContact O-CD 3.5Å; P447-K450 PolarHBondContact O-N 2.98Å; P447-L451 WeakPolarHBondContact O-CG 3.22Å; P447-L451 PolarHBondContact O-N 3.28Å; P447-F465 HydrophobicContact CB-CD2 4.18Å; P447-F465 HydrophobicContact CB-CE2 3.71Å; P447-L468 HydrophobicContact CB-CD1 3.77Å; 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	94.2	Very high	89.6	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-70.7	-37.5	179.7	175.2	0	0	0	0	111.3	I325 F433 M440 L444 V445 E446 K450 L451 L452	I325-V448 HydrophobicContact CB-CG2 4.33Å; I325-V448 HydrophobicContact CD1-CG2 3.98Å; I325-V448 HydrophobicContact CG2-CG1 4.47Å; I325-V448 HydrophobicContact CG2-CG2 3.77Å; F433-V448 HydrophobicContact CD2-CG1 4.19Å; F433-V448 HydrophobicContact CE2-CB 4.23Å; F433-V448 HydrophobicContact CE2-CG1 3.97Å; M440-V448 HydrophobicContact CE-CB 4.33Å; M440-V448 HydrophobicContact CE-CG1 4.06Å; M440-V448 HydrophobicContact CE-CG2 4.32Å; M440-V448 HydrophobicContact SD-CB 4.03Å; M440-V448 HydrophobicContact SD-CG1 4.42Å; M440-V448 HydrophobicContact SD-CG2 3.85Å; L444-V448 HydrophobicContact CB-CG2 4.29Å; L444-V448 VanDerWaalsContact O-CB 3.29Å; L444-V448 WeakPolarHBondContact O-CB 3.33Å; L444-V448 WeakPolarHBondContact O-CG2 3.08Å; L444-V448 PolarHBondContact O-N 3.43Å; V445-V448 PolarHBondContact O-N 3.01Å; E446-V448 PolarHBondContact O-N 2.89Å; V448-K450 VanDerWaalsContact C-N 3.27Å; V448-K450 PolarHBondContact O-N 3.28Å; V448-L451 WeakPolarHBondContact O-CB 3.44Å; V448-L451 PolarHBondContact O-N 3.45Å; V448-L452 HydrophobicContact CG1-CD1 4.24Å; V448-L452 WeakPolarHBondContact O-CG 3.4Å; V448-L452 PolarHBondContact O-N 3.48Å; V448-L452 VanDerWaalsContact O-N 3.08Å
449	E	92.7	Very high	90.2	Very high	118 Å²	118	63.8 Å²	63.8	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-56.4	-44.4	171.1	-168.8	-179.1	178.1	0	0	111.2	F433 V445 E446 L452 S453	F433-E449 HydrophobicContact CE1-CB 4.06Å; F433-E449 HydrophobicContact CE1-CG 4.04Å; F433-E449 HydrophobicContact CE2-CB 4.16Å; F433-E449 HydrophobicContact CZ-CB 3.59Å; F433-E449 HydrophobicContact CZ-CG 4.11Å; V445-E449 WeakPolarHBondContact O-CB 3.37Å; V445-E449 PolarHBondContact O-N 3.32Å; E446-E449 PolarHBondContact O-N 3.01Å; E449-L452 PolarHBondContact O-N 3.37Å; E449-S453 PolarHBondContact O-N 2.86Å
450	K	94	Very high	90.7	Very high	94 Å²	94	57.9 Å²	57.9	41%	0.409	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-40	175.9	-69.9	176.7	-173.8	169.9	0	112.5	E446 P447 V448 L452 S453 R459	E446-K450 HydrophobicContact CG-CD 4.48Å; E446-K450 WeakPolarHBondContact O-CG 3.45Å; E446-K450 PolarHBondContact O-N 3.48Å; E446-K450 VanDerWaalsContact OE1-CE 3.24Å; E446-K450 WeakPolarHBondContact OE1-CE 3.35Å; E446-K450 IonicContact OE1-NZ 3.13Å; E446-K450 PolarHBondContact OE1-NZ 2.99Å; P447-K450 PolarHBondContact O-N 2.98Å; V448-K450 VanDerWaalsContact C-N 3.27Å; V448-K450 PolarHBondContact O-N 3.28Å; K450-L452 PolarHBondContact O-N 2.77Å; K450-S453 WeakPolarHBondContact O-CB 3.37Å; K450-S453 PolarHBondContact O-N 3.2Å; K450-S453 VanDerWaalsContact O-N 3.1Å; K450-R459 WeakPolarHBondContact O-CG 3.32Å
451	L	94	Very high	91.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-37.8	174.6	-72.8	176	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 3.71Å; M318-L451 WeakPolarHBondContact O-CD2 3.47Å; F319-L451 WeakPolarHBondContact CA-O 3.21Å; F319-L451 WeakPolarHBondContact CD2-O 3.45Å; I325-L451 HydrophobicContact CD1-CD1 4.26Å; P447-L451 WeakPolarHBondContact O-CG 3.22Å; P447-L451 PolarHBondContact O-N 3.28Å; V448-L451 WeakPolarHBondContact O-CB 3.44Å; V448-L451 PolarHBondContact O-N 3.45Å; L451-S453 PolarHBondContact O-N 2.87Å; L451-R459 VanDerWaalsContact O-CD 3.26Å; L451-R459 WeakPolarHBondContact O-CD 3.42Å; L451-R459 WeakPolarHBondContact O-CG 3.43Å; L451-P460 HydrophobicContact CD2-CG 3.64Å; L451-P460 HydrophobicContact CG-CG 4.07Å; L451-F465 HydrophobicContact CD1-CD2 4.03Å; L451-F465 HydrophobicContact CD1-CE2 3.49Å; L451-F465 VanDerWaalsContact CD1-CE2 3.49Å; L451-F465 HydrophobicContact CD1-CZ 3.82Å; L451-F465 HydrophobicContact CD2-CD2 4.42Å; L451-F465 HydrophobicContact CG-CD2 4.37Å; L451-F465 HydrophobicContact CG-CE2 4.16Å
452	L	90.8	Very high	91.3	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.094	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	8.3	180	-62.8	176.5	0	0	0	113.7	F319 L323 I429 F433 V448 E449 K450	F319-L452 HydrophobicContact CE2-CD2 4.42Å; L323-L452 HydrophobicContact CD2-CD2 3.58Å; L323-L452 HydrophobicContact CG-CD2 3.75Å; I429-L452 HydrophobicContact CG2-CB 4.21Å; I429-L452 HydrophobicContact CG2-CD1 4.05Å; I429-L452 HydrophobicContact CG2-CD2 4.31Å; I429-L452 HydrophobicContact CG2-CG 4.43Å; F433-L452 HydrophobicContact CB-CD1 4.14Å; F433-L452 HydrophobicContact CD2-CD1 3.87Å; F433-L452 HydrophobicContact CG-CD1 4.3Å; V448-L452 HydrophobicContact CG1-CD1 4.24Å; V448-L452 WeakPolarHBondContact O-CG 3.4Å; V448-L452 PolarHBondContact O-N 3.48Å; V448-L452 VanDerWaalsContact O-N 3.08Å; E449-L452 PolarHBondContact O-N 3.37Å; K450-L452 PolarHBondContact O-N 2.77Å
453	S	88	Confident	91.4	Very high	26 Å²	26	56.1 Å²	56.1	18%	0.182	27%	0.27	C	S	.	.			trans	-64.5	138.8	177.7	-163.6	0	0	0	0	111.8	E449 K450 L451 N455 R459	E449-S453 PolarHBondContact O-N 2.86Å; K450-S453 WeakPolarHBondContact O-CB 3.37Å; K450-S453 PolarHBondContact O-N 3.2Å; K450-S453 VanDerWaalsContact O-N 3.1Å; L451-S453 PolarHBondContact O-N 2.87Å; S453-N455 PolarHBondContact O-N 3.24Å; S453-R459 PolarHBondContact O-NE 3Å; S453-R459 PolarHBondContact O-NH2 3.28Å; S453-R459 VanDerWaalsContact O-NH2 3.17Å
454	R	82.9	Confident	91.5	Very high	145 Å²	145	56.1 Å²	56.1	55%	0.547	27%	0.273	S	S	.	.	S	Bend	trans	-63.1	-31.3	173.5	-53.4	-161.4	173.7	170.6	-5.8	112.3	M426 P456 R459	M426-R454 HydrophobicContact CE-CB 4.37Å; M426-R454 HydrophobicContact CE-CG 3.54Å; R454-P456 WeakPolarHBondContact O-CD 3.13Å; R454-R459 PolarHBondContact O-NH2 3.05Å
455	N	84.2	Confident	91.7	Very high	66 Å²	66	56.1 Å²	56.1	35%	0.353	27%	0.273	S	S	.	.	S	Bend	trans	-86.6	117.1	178.1	-177.9	-7.5	0	0	0	109.7	S453 Q457 K458	S453-N455 PolarHBondContact O-N 3.24Å; N455-Q457 PolarHBondContact O-N 3.1Å; N455-Q457 WeakPolarHBondContact OD1-CB 3.29Å; N455-Q457 PolarHBondContact OD1-N 2.85Å; N455-K458 HydrophobicContact CB-CD 4.34Å; N455-K458 HydrophobicContact CB-CG 4.23Å; N455-K458 PolarHBondContact O-N 3.09Å; N455-K458 VanDerWaalsContact O-N 3.1Å
456	P	86.5	Confident	91.7	Very high	13 Å²	13	55.4 Å²	55.4	8%	0.084	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.8	-35.8	179.2	-26.2	35.4	0	0	0	113.6	W315 R454 K458 R459	W315-P456 HydrophobicContact CB-CB 3.97Å; W315-P456 VanDerWaalsContact CD1-O 3.29Å; W315-P456 HydrophobicContact CG-CB 4.26Å; R454-P456 WeakPolarHBondContact O-CD 3.13Å; P456-K458 PolarHBondContact O-N 3.46Å; P456-R459 WeakPolarHBondContact O-CB 3.47Å; P456-R459 PolarHBondContact O-N 3.04Å
457	Q	84.8	Confident	91.6	Very high	106 Å²	106	55.8 Å²	55.8	50%	0.495	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-67.6	-17.1	-177.7	-61.4	-62.1	-22.5	0	0	113.9	N309 N455	N309-Q457 PolarHBondContact OD1-NE2 3.33Å; N455-Q457 PolarHBondContact O-N 3.1Å; N455-Q457 WeakPolarHBondContact OD1-CB 3.29Å; N455-Q457 PolarHBondContact OD1-N 2.85Å
458	K	90	Very high	91.6	Very high	138 Å²	138	56.6 Å²	56.6	60%	0.6	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-86.2	-14.3	175.3	-69.8	-173.1	174.7	-173.6	0	112.8	N455 P456	N455-K458 HydrophobicContact CB-CD 4.34Å; N455-K458 HydrophobicContact CB-CG 4.23Å; N455-K458 PolarHBondContact O-N 3.09Å; N455-K458 VanDerWaalsContact O-N 3.1Å; P456-K458 PolarHBondContact O-N 3.46Å
459	R	93.7	Very high	91.4	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.026	32%	0.315	C	S	.	.	S	Bend	trans	-80.8	132.5	-177	-53.1	-179.4	-164.6	147.3	8.6	108.9	E259 W315 K450 L451 S453 R454 P456	E259-R459 IonicContact OE1-CZ 2.85Å; E259-R459 IonicContact OE1-NH1 3.44Å; E259-R459 PolarHBondContact OE1-NH1 3.27Å; E259-R459 IonicContact OE1-NH2 2.65Å; E259-R459 IonicContact OE2-CZ 3.39Å; E259-R459 IonicContact OE2-NH1 3.77Å; E259-R459 PolarHBondContact OE2-NH1 3.01Å; E259-R459 IonicContact OE2-NH2 3.74Å; E259-R459 PolarHBondContact OE2-NH2 3.16Å; W315-R459 WeakPolarHBondContact O-CD 3.49Å; W315-R459 PolarHBondContact O-NH1 3.45Å; K450-R459 WeakPolarHBondContact O-CG 3.32Å; L451-R459 VanDerWaalsContact O-CD 3.26Å; L451-R459 WeakPolarHBondContact O-CD 3.42Å; L451-R459 WeakPolarHBondContact O-CG 3.43Å; S453-R459 PolarHBondContact O-NE 3Å; S453-R459 PolarHBondContact O-NH2 3.28Å; S453-R459 VanDerWaalsContact O-NH2 3.17Å; R454-R459 PolarHBondContact O-NH2 3.05Å; P456-R459 WeakPolarHBondContact O-CB 3.47Å; P456-R459 PolarHBondContact O-N 3.04Å
460	P	94.3	Very high	91.3	Very high	18 Å²	18	60 Å²	60	12%	0.117	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-63	148	174.8	27	-34.2	0	0	0	110.6	L451 L464 F465	L451-P460 HydrophobicContact CD2-CG 3.64Å; L451-P460 HydrophobicContact CG-CG 4.07Å; P460-L464 HydrophobicContact CB-CB 4.36Å; P460-L464 HydrophobicContact CB-CD2 4.05Å; P460-L464 HydrophobicContact CB-CG 4.34Å; P460-F465 HydrophobicContact CG-CD2 4.06Å
461	S	94.8	Very high	91.2	Very high	52 Å²	52	55.6 Å²	55.6	36%	0.364	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-68.6	160.2	169.1	63.5	0	0	0	0	110.6	Q463 L464 F465	S461-Q463 PolarHBondContact O-N 3.29Å; S461-L464 PolarHBondContact O-N 3.47Å; S461-L464 VanDerWaalsContact O-N 3.15Å; S461-L464 WeakPolarHBondContact OG-CB 3.15Å; S461-L464 PolarHBondContact OG-N 3.33Å; S461-L464 VanDerWaalsContact OG-N 3.14Å; S461-F465 WeakPolarHBondContact O-CB 3.33Å; S461-F465 PolarHBondContact O-N 3.02Å
462	S	94.5	Very high	90.9	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-55	-39.7	172.7	46	0	0	0	0	112	T183 R187 H190 F465 A466	T183-S462 WeakPolarHBondContact CG2-O 3.4Å; R187-S462 WeakPolarHBondContact CA-OG 3.27Å; H190-S462 PolarHBondContact ND1-OG 2.88Å; S462-F465 PolarHBondContact O-N 2.94Å; S462-A466 WeakPolarHBondContact O-CB 3.31Å; S462-A466 PolarHBondContact O-N 2.91Å
463	Q	93.7	Very high	90.6	Very high	107 Å²	107	61.2 Å²	61.2	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-45.4	174.8	-173.4	175.1	3.6	0	0	112.8	R187 S461 F465 A466 L467	R187-Q463 HydrophobicContact CG-CB 4.39Å; S461-Q463 PolarHBondContact O-N 3.29Å; Q463-F465 VanDerWaalsContact C-N 3.34Å; Q463-A466 PolarHBondContact O-N 3.37Å; Q463-L467 WeakPolarHBondContact O-CG 3.43Å
464	L	94.1	Very high	90.4	Very high	106 Å²	106	62.6 Å²	62.6	56%	0.555	31%	0.31	S	S	*	.	H	α-helix	trans	-68.6	-36.5	178.2	-177.1	61.7	0	0	0	111.6	P460 S461 L467	P460-L464 HydrophobicContact CB-CB 4.36Å; P460-L464 HydrophobicContact CB-CD2 4.05Å; P460-L464 HydrophobicContact CB-CG 4.34Å; S461-L464 PolarHBondContact O-N 3.47Å; S461-L464 VanDerWaalsContact O-N 3.15Å; S461-L464 WeakPolarHBondContact OG-CB 3.15Å; S461-L464 PolarHBondContact OG-N 3.33Å; S461-L464 VanDerWaalsContact OG-N 3.14Å; L464-L467 PolarHBondContact O-N 3.31Å
465	F	96.1	Very high	90.5	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-36.6	177.8	-163.5	-100.2	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 4.14Å; T183-F465 HydrophobicContact CG2-CB 4.22Å; T183-F465 HydrophobicContact CG2-CD1 3.74Å; T183-F465 HydrophobicContact CG2-CG 4.48Å; T183-F465 WeakPolarHBondContact OG1-CD1 3.26Å; M318-F465 HydrophobicContact CE-CB 3.91Å; M318-F465 HydrophobicContact CE-CG 4.17Å; L321-F465 HydrophobicContact CD2-CD1 4.24Å; L321-F465 HydrophobicContact CD2-CE1 4.14Å; I325-F465 HydrophobicContact CD1-CE1 4.19Å; I325-F465 HydrophobicContact CD1-CZ 3.79Å; L444-F465 HydrophobicContact CD2-CZ 4.13Å; P447-F465 HydrophobicContact CB-CD2 4.18Å; P447-F465 HydrophobicContact CB-CE2 3.71Å; L451-F465 HydrophobicContact CD1-CD2 4.03Å; L451-F465 HydrophobicContact CD1-CE2 3.49Å; L451-F465 VanDerWaalsContact CD1-CE2 3.49Å; L451-F465 HydrophobicContact CD1-CZ 3.82Å; L451-F465 HydrophobicContact CD2-CD2 4.42Å; L451-F465 HydrophobicContact CG-CD2 4.37Å; L451-F465 HydrophobicContact CG-CE2 4.16Å; P460-F465 HydrophobicContact CG-CD2 4.06Å; S461-F465 WeakPolarHBondContact O-CB 3.33Å; S461-F465 PolarHBondContact O-N 3.02Å; S462-F465 PolarHBondContact O-N 2.94Å; Q463-F465 VanDerWaalsContact C-N 3.34Å; F465-L467 PolarHBondContact O-N 3.03Å; F465-L468 HydrophobicContact CD1-CD1 4.4Å; F465-L468 HydrophobicContact CD2-CD1 3.62Å; F465-L468 HydrophobicContact CE1-CD1 4.32Å; F465-L468 HydrophobicContact CE2-CD1 3.51Å; F465-L468 HydrophobicContact CG-CD1 4.07Å; F465-L468 HydrophobicContact CZ-CD1 3.88Å; F465-L468 WeakPolarHBondContact O-CB 3.25Å; F465-L468 WeakPolarHBondContact O-CG 3.38Å; F465-L468 PolarHBondContact O-N 3.06Å; F465-F471 HydrophobicContact CD1-CE2 4.05Å; F465-F471 HydrophobicContact CD1-CZ 4.32Å; 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 3.43Å
466	A	93	Very high	90.6	Very high	14 Å²	14	53.6 Å²	53.6	12%	0.116	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-23.8	175.2	0	0	0	0	0	113.5	T183 S462 Q463 L468	T183-A466 HydrophobicContact CG2-CB 3.83Å; S462-A466 WeakPolarHBondContact O-CB 3.31Å; S462-A466 PolarHBondContact O-N 2.91Å; Q463-A466 PolarHBondContact O-N 3.37Å; A466-L468 VanDerWaalsContact C-N 3.31Å; A466-L468 PolarHBondContact O-N 3.33Å
467	L	92.9	Very high	90.6	Very high	122 Å²	122	55.8 Å²	55.8	64%	0.639	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	4.6	-178.8	-63.1	174.2	0	0	0	114.2	Q463 L464 F465 K469	Q463-L467 WeakPolarHBondContact O-CG 3.43Å; L464-L467 PolarHBondContact O-N 3.31Å; F465-L467 PolarHBondContact O-N 3.03Å; L467-K469 PolarHBondContact O-N 3.01Å
468	L	93.7	Very high	90.6	Very high	35 Å²	35	50.7 Å²	50.7	18%	0.183	26%	0.261	C	S	.	.			trans	-62	137	178	-70.8	174.6	0	0	0	111.1	L444 P447 F465 A466 F470 F471	L444-L468 HydrophobicContact CD2-CD1 4.13Å; P447-L468 HydrophobicContact CB-CD1 3.77Å; 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 4.4Å; F465-L468 HydrophobicContact CD2-CD1 3.62Å; F465-L468 HydrophobicContact CE1-CD1 4.32Å; F465-L468 HydrophobicContact CE2-CD1 3.51Å; F465-L468 HydrophobicContact CG-CD1 4.07Å; F465-L468 HydrophobicContact CZ-CD1 3.88Å; F465-L468 WeakPolarHBondContact O-CB 3.25Å; F465-L468 WeakPolarHBondContact O-CG 3.38Å; F465-L468 PolarHBondContact O-N 3.06Å; A466-L468 VanDerWaalsContact C-N 3.31Å; A466-L468 PolarHBondContact O-N 3.33Å; L468-F470 HydrophobicContact CB-CB 4.26Å; L468-F470 PolarHBondContact O-N 3.41Å; L468-F471 HydrophobicContact CB-CD2 4.03Å; L468-F471 HydrophobicContact CB-CE2 4.25Å; L468-F471 HydrophobicContact CD1-CE2 4.35Å; L468-F471 PolarHBondContact O-N 3.44Å
469	K	90.6	Very high	90.2	Very high	179 Å²	179	44.3 Å²	44.3	78%	0.778	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-53.5	-26.8	174	-67.2	-175.9	179.7	-178.8	0	112.9	L467 F471 N472	L467-K469 PolarHBondContact O-N 3.01Å; K469-F471 PolarHBondContact O-N 3.45Å; K469-N472 PolarHBondContact O-N 3.22Å
470	F	92	Very high	89.8	Confident	11 Å²	11	44.3 Å²	44.3	5%	0.048	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-52.3	-34.7	173.6	179.4	-109.2	0	0	0	113.7	K176 P441 E443 L444 L468	K176-F470 HydrophobicContact CB-CE1 4.07Å; K176-F470 HydrophobicContact CB-CZ 3.77Å; K176-F470 HydrophobicContact CD-CE1 4.43Å; K176-F470 HydrophobicContact CD-CE2 4.41Å; K176-F470 HydrophobicContact CD-CZ 4.18Å; K176-F470 VanDerWaalsContact CE-CE2 3.44Å; K176-F470 WeakPolarHBondContact CE-O 3.44Å; K176-F470 HydrophobicContact CG-CD1 4.33Å; K176-F470 HydrophobicContact CG-CE1 3.62Å; K176-F470 HydrophobicContact CG-CE2 4.34Å; K176-F470 HydrophobicContact CG-CZ 3.63Å; P441-F470 HydrophobicContact CB-CD2 4.06Å; P441-F470 HydrophobicContact CB-CE2 3.75Å; P441-F470 HydrophobicContact CG-CD2 4.42Å; P441-F470 HydrophobicContact CG-CE2 3.61Å; P441-F470 HydrophobicContact CG-CZ 4.25Å; E443-F470 HydrophobicContact CB-CB 3.94Å; E443-F470 HydrophobicContact CB-CD2 4.42Å; L444-F470 HydrophobicContact CD1-CD1 3.96Å; L444-F470 HydrophobicContact CD1-CD2 4.33Å; L444-F470 HydrophobicContact CD1-CE1 3.58Å; L444-F470 HydrophobicContact CD1-CE2 4Å; L444-F470 HydrophobicContact CD1-CG 4.31Å; L444-F470 HydrophobicContact CD1-CZ 3.61Å; L444-F470 HydrophobicContact CD2-CB 4.31Å; L444-F470 HydrophobicContact CD2-CD1 3.61Å; L444-F470 HydrophobicContact CD2-CE1 4.06Å; L444-F470 HydrophobicContact CD2-CG 3.92Å; L444-F470 HydrophobicContact CG-CB 4.48Å; L444-F470 HydrophobicContact CG-CD1 3.79Å; L444-F470 HydrophobicContact CG-CD2 4.01Å; L444-F470 HydrophobicContact CG-CE1 3.97Å; L444-F470 HydrophobicContact CG-CE2 4.2Å; L444-F470 HydrophobicContact CG-CG 3.81Å; L444-F470 HydrophobicContact CG-CZ 4.17Å; L468-F470 HydrophobicContact CB-CB 4.26Å; L468-F470 PolarHBondContact O-N 3.41Å
471	F	91	Very high	89.2	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-89.3	-14.1	179.2	-58.7	-55.2	0	0	0	113.6	I179 Y180 F465 L468 K469 D473	I179-F471 HydrophobicContact CB-CE1 4.4Å; I179-F471 HydrophobicContact CG2-CE1 4.12Å; I179-F471 HydrophobicContact CG2-CZ 3.84Å; Y180-F471 HydrophobicContact CD2-CB 3.83Å; Y180-F471 AromaticContact CD2-CD1 3.73Å; Y180-F471 HydrophobicContact CD2-CD1 3.73Å; Y180-F471 HydrophobicContact CD2-CD2 4.18Å; Y180-F471 HydrophobicContact CD2-CE1 4.32Å; 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 4.44Å; Y180-F471 HydrophobicContact CG-CD1 4.17Å; F465-F471 HydrophobicContact CD1-CE2 4.05Å; F465-F471 HydrophobicContact CD1-CZ 4.32Å; 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 3.43Å; L468-F471 HydrophobicContact CB-CD2 4.03Å; L468-F471 HydrophobicContact CB-CE2 4.25Å; L468-F471 HydrophobicContact CD1-CE2 4.35Å; L468-F471 PolarHBondContact O-N 3.44Å; K469-F471 PolarHBondContact O-N 3.45Å; F471-D473 PolarHBondContact O-N 3.49Å
472	N	86.9	Confident	88.6	Confident	103 Å²	103	41.3 Å²	41.3	55%	0.551	21%	0.214	S	C	*	.			trans	-79.9	41.8	176.8	-67.9	-13.3	0	0	0	112.2	K469	K469-N472 PolarHBondContact O-N 3.22Å
473	D	85.3	Confident	87.8	Confident	33 Å²	33	43.2 Å²	43.2	18%	0.176	22%	0.223	C	C	.	.			trans	-91.7	122.2	174.7	-180	-26.6	0	0	0	108.5	K176 F471 T475 M476 L477	K176-D473 HydrophobicContact CD-CB 4.16Å; K176-D473 IonicContact NZ-OD2 3.62Å; K176-D473 PolarHBondContact NZ-OD2 2.97Å; F471-D473 PolarHBondContact O-N 3.49Å; D473-T475 PolarHBondContact O-N 3.36Å; D473-T475 VanDerWaalsContact OD1-CB 3.31Å; D473-T475 WeakPolarHBondContact OD1-CB 3.19Å; D473-T475 PolarHBondContact OD1-N 3.25Å; D473-T475 PolarHBondContact OD1-OG1 3Å; D473-M476 HydrophobicContact CB-CB 3.83Å; D473-M476 WeakPolarHBondContact O-CA 2.93Å; D473-M476 WeakPolarHBondContact O-CB 3.45Å; D473-M476 PolarHBondContact O-N 3.26Å; D473-L477 WeakPolarHBondContact O-CG 3Å; D473-L477 PolarHBondContact O-N 3.39Å
474	P	84.4	Confident	87	Confident	55 Å²	55	38.8 Å²	38.8	36%	0.357	20%	0.203	S	C	.	.	H	α-helix	trans	-54.1	-37.7	-179.7	-25.6	33.5	0	0	0	113.1	M476 L477 L478 I499	P474-M476 VanDerWaalsContact C-N 3.31Å; P474-M476 PolarHBondContact O-N 3Å; P474-L477 PolarHBondContact O-N 3.14Å; P474-L478 WeakPolarHBondContact O-CB 3.41Å; P474-L478 PolarHBondContact O-N 3.43Å; P474-I499 HydrophobicContact CB-CG2 3.84Å; P474-I499 WeakPolarHBondContact O-CG2 3.3Å
475	T	84.3	Confident	86.3	Confident	23 Å²	23	34.1 Å²	34.1	14%	0.141	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-39.5	177.8	-54.6	0	0	0	0	111.1	M173 D473 L479 L507 I511	M173-T475 HydrophobicContact CE-CG2 3.81Å; M173-T475 HydrophobicContact SD-CG2 4.19Å; D473-T475 PolarHBondContact O-N 3.36Å; D473-T475 VanDerWaalsContact OD1-CB 3.31Å; D473-T475 WeakPolarHBondContact OD1-CB 3.19Å; D473-T475 PolarHBondContact OD1-N 3.25Å; D473-T475 PolarHBondContact OD1-OG1 3Å; T475-L479 HydrophobicContact CG2-CD1 4.14Å; T475-L479 WeakPolarHBondContact O-CB 3.47Å; T475-L479 WeakPolarHBondContact O-CD1 3.29Å; T475-L479 VanDerWaalsContact O-CG 3.25Å; T475-L479 WeakPolarHBondContact O-CG 3.37Å; T475-L479 PolarHBondContact O-N 3.2Å; T475-L479 VanDerWaalsContact O-N 3.11Å; T475-L507 HydrophobicContact CG2-CD2 3.62Å; T475-L507 WeakPolarHBondContact OG1-CD2 3.38Å; T475-I511 HydrophobicContact CG2-CD1 4.29Å; T475-I511 HydrophobicContact CG2-CG2 4.47Å
476	M	86.5	Confident	85.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-69.7	-48.8	179.5	-173.4	-82.8	122.8	0	0	110.8	M173 K176 L177 Y180 D473 P474 L478 L479 D480	M173-M476 HydrophobicContact SD-CB 4.26Å; K176-M476 HydrophobicContact CD-CB 4.14Å; K176-M476 HydrophobicContact CD-CG 4.1Å; K176-M476 HydrophobicContact CG-CG 4.08Å; L177-M476 HydrophobicContact CD2-CB 4.46Å; L177-M476 HydrophobicContact CD2-CE 3.57Å; L177-M476 HydrophobicContact CD2-CG 3.75Å; L177-M476 HydrophobicContact CG-CG 4.34Å; Y180-M476 HydrophobicContact CD1-CE 3.12Å; Y180-M476 HydrophobicContact CD1-SD 4.12Å; Y180-M476 HydrophobicContact CD2-CE 4.28Å; Y180-M476 HydrophobicContact CD2-SD 4.24Å; Y180-M476 HydrophobicContact CE1-CE 3.57Å; Y180-M476 HydrophobicContact CE1-SD 4.46Å; Y180-M476 HydrophobicContact CG-CE 3.51Å; Y180-M476 HydrophobicContact CG-SD 3.97Å; D473-M476 HydrophobicContact CB-CB 3.83Å; D473-M476 WeakPolarHBondContact O-CA 2.93Å; D473-M476 WeakPolarHBondContact O-CB 3.45Å; D473-M476 PolarHBondContact O-N 3.26Å; P474-M476 VanDerWaalsContact C-N 3.31Å; P474-M476 PolarHBondContact O-N 3Å; M476-L478 VanDerWaalsContact C-N 3.31Å; M476-L478 PolarHBondContact O-N 3.12Å; M476-L479 PolarHBondContact O-N 2.96Å; M476-D480 HydrophobicContact CE-CB 3.46Å; M476-D480 VanDerWaalsContact CE-CB 3.46Å; M476-D480 PolarHBondContact O-N 2.96Å
477	L	85.4	Confident	84.3	Confident	58 Å²	58	43.5 Å²	43.5	30%	0.304	23%	0.226	S	C	.	.	H	α-helix	trans	-60.8	-40	178	-66.2	175.8	0	0	0	112.1	D473 P474 G481 I499	D473-L477 WeakPolarHBondContact O-CG 3Å; D473-L477 PolarHBondContact O-N 3.39Å; P474-L477 PolarHBondContact O-N 3.14Å; L477-G481 PolarHBondContact O-N 3.32Å; L477-I499 HydrophobicContact CB-CD1 3.93Å; L477-I499 HydrophobicContact CD1-CD1 4.45Å
478	L	85.4	Confident	83.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-50.1	173.5	174	62.5	0	0	0	111.5	P474 M476 G481 I482 A496 I499 L500 L507 I516	P474-L478 WeakPolarHBondContact O-CB 3.41Å; P474-L478 PolarHBondContact O-N 3.43Å; M476-L478 VanDerWaalsContact C-N 3.31Å; M476-L478 PolarHBondContact O-N 3.12Å; L478-G481 PolarHBondContact O-N 3.49Å; L478-I482 HydrophobicContact CD1-CD1 3.35Å; L478-I482 HydrophobicContact CD1-CG1 4.05Å; L478-I482 HydrophobicContact CG-CD1 3.98Å; L478-I482 WeakPolarHBondContact O-CB 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.34Å; L478-I482 PolarHBondContact O-N 3.29Å; L478-A496 WeakPolarHBondContact CD1-O 3.48Å; L478-I499 HydrophobicContact CB-CG2 3.96Å; L478-L500 HydrophobicContact CD1-CB 3.77Å; L478-L500 HydrophobicContact CD2-CB 4.43Å; L478-L500 HydrophobicContact CD2-CD1 4.1Å; L478-L507 HydrophobicContact CD2-CD1 3.63Å; L478-L507 HydrophobicContact CD2-CD2 4.23Å; L478-I516 HydrophobicContact CD2-CD1 3.72Å; L478-I516 HydrophobicContact CG-CD1 4.33Å
479	L	82.6	Confident	82.8	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-47.5	-178.8	-75.3	169.2	0	0	0	111.3	M173 L177 T475 M476 G481 I482 I483 I511 R515 I516	M173-L479 HydrophobicContact CG-CD1 4.19Å; L177-L479 HydrophobicContact CD1-CB 4.34Å; L177-L479 HydrophobicContact CD1-CD1 3.63Å; L177-L479 HydrophobicContact CD2-CB 3.91Å; L177-L479 HydrophobicContact CD2-CD1 4.43Å; T475-L479 HydrophobicContact CG2-CD1 4.14Å; T475-L479 WeakPolarHBondContact O-CB 3.47Å; T475-L479 WeakPolarHBondContact O-CD1 3.29Å; T475-L479 VanDerWaalsContact O-CG 3.25Å; T475-L479 WeakPolarHBondContact O-CG 3.37Å; T475-L479 PolarHBondContact O-N 3.2Å; T475-L479 VanDerWaalsContact O-N 3.11Å; M476-L479 PolarHBondContact O-N 2.96Å; L479-G481 VanDerWaalsContact C-N 3.34Å; L479-G481 PolarHBondContact O-N 3.12Å; L479-I482 PolarHBondContact O-N 3.16Å; L479-I483 HydrophobicContact CB-CD1 4.19Å; L479-I483 WeakPolarHBondContact O-CB 3.29Å; L479-I483 WeakPolarHBondContact O-CD1 3.34Å; L479-I483 WeakPolarHBondContact O-CG1 3.04Å; L479-I483 PolarHBondContact O-N 2.73Å; L479-I511 HydrophobicContact CD1-CG2 3.79Å; L479-I511 HydrophobicContact CD2-CG2 3.96Å; L479-I511 HydrophobicContact CG-CG2 4.28Å; L479-R515 HydrophobicContact CD2-CB 4.46Å; L479-I516 HydrophobicContact CD2-CD1 4.07Å; L479-I516 HydrophobicContact CD2-CG1 3.62Å
480	D	84.2	Confident	81.9	Confident	8 Å²	8	34.3 Å²	34.3	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-40.2	178.2	177.7	66.9	0	0	0	112.8	Y180 M476 N484 K488	Y180-D480 HydrophobicContact CE1-CB 4.28Å; M476-D480 HydrophobicContact CE-CB 3.46Å; M476-D480 VanDerWaalsContact CE-CB 3.46Å; M476-D480 PolarHBondContact O-N 2.96Å; D480-N484 PolarHBondContact O-N 3.21Å; D480-K488 IonicContact OD1-NZ 2.66Å; D480-K488 WeakPolarHBondContact OD2-CE 3.22Å; D480-K488 IonicContact OD2-NZ 3.13Å; D480-K488 PolarHBondContact OD2-NZ 2.91Å
481	G	82.9	Confident	81.2	Confident	4 Å²	4	39.7 Å²	39.7	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-38.3	176.1	0	0	0	0	0	113.5	L477 L478 L479 F485	L477-G481 PolarHBondContact O-N 3.32Å; L478-G481 PolarHBondContact O-N 3.49Å; L479-G481 VanDerWaalsContact C-N 3.34Å; L479-G481 PolarHBondContact O-N 3.12Å; G481-F485 VanDerWaalsContact O-CA 3.29Å; G481-F485 WeakPolarHBondContact O-CA 3.3Å; G481-F485 PolarHBondContact O-N 3.27Å
482	I	81.4	Confident	80.6	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-79.5	-40.8	-179.4	-72.4	178.5	0	0	0	112.3	L478 L479 F485 I516 T519 L520 L523	L478-I482 HydrophobicContact CD1-CD1 3.35Å; L478-I482 HydrophobicContact CD1-CG1 4.05Å; L478-I482 HydrophobicContact CG-CD1 3.98Å; L478-I482 WeakPolarHBondContact O-CB 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.34Å; L478-I482 PolarHBondContact O-N 3.29Å; L479-I482 PolarHBondContact O-N 3.16Å; I482-F485 WeakPolarHBondContact O-CB 3.41Å; I482-F485 PolarHBondContact O-N 2.99Å; I482-I516 HydrophobicContact CD1-CG2 4.08Å; I482-T519 HydrophobicContact CG2-CG2 3.4Å; I482-L520 HydrophobicContact CD1-CD2 3.88Å; I482-L520 HydrophobicContact CD1-CG 4.45Å; I482-L523 HydrophobicContact CG2-CD1 4.17Å
483	I	78.5	Confident	80.4	Confident	42 Å²	42	38.8 Å²	38.8	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-45.7	-177.2	-72.4	158.2	0	0	0	110.9	Q212 L479	Q212-I483 VanDerWaalsContact CD-CG2 3.43Å; Q212-I483 HydrophobicContact CG-CG2 4Å; L479-I483 HydrophobicContact CB-CD1 4.19Å; L479-I483 WeakPolarHBondContact O-CB 3.29Å; L479-I483 WeakPolarHBondContact O-CD1 3.34Å; L479-I483 WeakPolarHBondContact O-CG1 3.04Å; L479-I483 PolarHBondContact O-N 2.73Å
484	N	76.5	Confident	80.1	Confident	14 Å²	14	38.9 Å²	38.9	8%	0.075	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	27.7	-177.4	-69.6	-45	0	0	0	111.9	P120 D480 Q486 V487 K488	P120-N484 HydrophobicContact CB-CB 4.45Å; D480-N484 PolarHBondContact O-N 3.21Å; N484-Q486 PolarHBondContact O-N 2.74Å; N484-V487 PolarHBondContact O-N 2.94Å; N484-K488 HydrophobicContact CB-CG 4.24Å; N484-K488 WeakPolarHBondContact O-CG 3.33Å; N484-K488 PolarHBondContact O-N 3.22Å; N484-K488 VanDerWaalsContact O-N 3.11Å
485	F	78.4	Confident	80.1	Confident	7 Å²	7	42.1 Å²	42.1	3%	0.031	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.2	-170	-169.4	-94.3	0	0	0	114	G481 I482 V487 R493 L497 L523 L562	G481-F485 VanDerWaalsContact O-CA 3.29Å; G481-F485 WeakPolarHBondContact O-CA 3.3Å; G481-F485 PolarHBondContact O-N 3.27Å; I482-F485 WeakPolarHBondContact O-CB 3.41Å; I482-F485 PolarHBondContact O-N 2.99Å; F485-V487 VanDerWaalsContact C-N 3.32Å; F485-V487 PolarHBondContact O-N 2.83Å; F485-R493 HydrophobicContact CD2-CB 4.14Å; F485-R493 HydrophobicContact CD2-CG 3.86Å; F485-R493 HydrophobicContact CE2-CB 3.7Å; F485-R493 HydrophobicContact CE2-CG 3.89Å; F485-R493 HydrophobicContact CG-CG 4.25Å; F485-R493 HydrophobicContact CZ-CB 4.13Å; F485-R493 HydrophobicContact CZ-CG 4.3Å; F485-R493 WeakPolarHBondContact O-CD 3.49Å; F485-L497 HydrophobicContact CE2-CD1 4.16Å; F485-L497 HydrophobicContact CE2-CD2 4.47Å; F485-L497 HydrophobicContact CE2-CG 4.32Å; F485-L497 HydrophobicContact CZ-CD1 4.35Å; F485-L523 HydrophobicContact CB-CD1 4.04Å; F485-L523 HydrophobicContact CB-CD2 3.83Å; F485-L523 HydrophobicContact CD1-CD1 4.29Å; F485-L523 HydrophobicContact CD1-CD2 3.64Å; F485-L523 HydrophobicContact CD2-CD1 4.12Å; F485-L523 HydrophobicContact CE1-CD2 4.38Å; F485-L523 HydrophobicContact CG-CD1 3.91Å; F485-L523 HydrophobicContact CG-CD2 3.88Å; F485-L562 HydrophobicContact CE2-CD2 4.27Å; F485-L562 HydrophobicContact CZ-CD2 3.71Å
486	Q	72.6	Confident	80.1	Confident	115 Å²	115	41.1 Å²	41.1	54%	0.537	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.9	179.5	-63.8	-175.3	-0.5	0	0	114	N484 E526	N484-Q486 PolarHBondContact O-N 2.74Å; Q486-E526 PolarHBondContact NE2-OE2 2.9Å
487	V	74.3	Confident	79.9	Confident	98 Å²	98	41.1 Å²	41.1	59%	0.594	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-23.2	-176	-172.9	0	0	0	0	111.7	P120 N484 F485	P120-V487 HydrophobicContact CB-CG2 4.46Å; P120-V487 HydrophobicContact CG-CB 4.37Å; P120-V487 HydrophobicContact CG-CG1 3.85Å; N484-V487 PolarHBondContact O-N 2.94Å; F485-V487 VanDerWaalsContact C-N 3.32Å; F485-V487 PolarHBondContact O-N 2.83Å
488	K	78.1	Confident	79.7	Confident	41 Å²	41	42.7 Å²	42.7	18%	0.178	21%	0.213	C	C	.	.	S	Bend	trans	-71.1	151.4	-179.9	-68.4	-66.7	-173.6	170.6	0	112.1	D480 N484 D492 R493	D480-K488 IonicContact OD1-NZ 2.66Å; D480-K488 WeakPolarHBondContact OD2-CE 3.22Å; D480-K488 IonicContact OD2-NZ 3.13Å; D480-K488 PolarHBondContact OD2-NZ 2.91Å; N484-K488 HydrophobicContact CB-CG 4.24Å; N484-K488 WeakPolarHBondContact O-CG 3.33Å; N484-K488 PolarHBondContact O-N 3.22Å; N484-K488 VanDerWaalsContact O-N 3.11Å; K488-D492 HydrophobicContact CB-CB 4.17Å; K488-R493 HydrophobicContact CB-CG 3.93Å
489	S	77	Confident	79.7	Confident	50 Å²	50	43.8 Å²	43.8	35%	0.35	22%	0.219	S	C	.	.			trans	-66.9	162.8	175.2	82.9	0	0	0	0	111.4	E491 D492 R493	S489-E491 VanDerWaalsContact C-N 3.27Å; S489-E491 VanDerWaalsContact CB-OE2 3.27Å; S489-E491 WeakPolarHBondContact CB-OE2 3.14Å; S489-E491 PolarHBondContact O-N 3.5Å; S489-E491 PolarHBondContact OG-OE2 3.4Å; S489-D492 PolarHBondContact O-N 3.22Å; S489-D492 PolarHBondContact OG-N 3.33Å; S489-R493 VanDerWaalsContact O-CG 3.27Å; S489-R493 WeakPolarHBondContact O-CG 3.46Å; S489-R493 PolarHBondContact O-N 3Å
490	D	72.3	Confident	79.7	Confident	51 Å²	51	43.6 Å²	43.6	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-35.1	-176.4	-59.2	-17.9	0	0	0	112	R493 T494 I558	D490-R493 IonicContact OD1-CZ 3.38Å; D490-R493 IonicContact OD1-NE 3.56Å; D490-R493 PolarHBondContact OD1-NE 3.03Å; D490-R493 IonicContact OD1-NH2 3.55Å; D490-R493 PolarHBondContact OD1-NH2 2.7Å; D490-T494 WeakPolarHBondContact O-CB 3.39Å; D490-T494 PolarHBondContact O-N 2.91Å; D490-T494 PolarHBondContact O-OG1 2.97Å; D490-I558 HydrophobicContact CB-CG2 4.06Å; D490-I558 WeakPolarHBondContact OD2-CG2 3.17Å
491	E	76.7	Confident	79.3	Confident	124 Å²	124	46.5 Å²	46.5	58%	0.579	23%	0.231	S	C	*	.	H	α-helix	trans	-66.4	-42.5	175.2	-52.9	83.5	-175.3	0	0	111.6	S489 T494 R495	S489-E491 VanDerWaalsContact C-N 3.27Å; S489-E491 VanDerWaalsContact CB-OE2 3.27Å; S489-E491 WeakPolarHBondContact CB-OE2 3.14Å; S489-E491 PolarHBondContact O-N 3.5Å; S489-E491 PolarHBondContact OG-OE2 3.4Å; E491-T494 PolarHBondContact O-N 3.45Å; E491-R495 VanDerWaalsContact O-CB 3.29Å; E491-R495 WeakPolarHBondContact O-CB 3.32Å; E491-R495 PolarHBondContact O-N 3.07Å
492	D	79.9	Confident	79.2	Confident	54 Å²	54	51.7 Å²	51.7	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-67.2	-40.3	179.5	-76.7	-10.9	0	0	0	111.6	K488 S489 R495 A496	K488-D492 HydrophobicContact CB-CB 4.17Å; S489-D492 PolarHBondContact O-N 3.22Å; S489-D492 PolarHBondContact OG-N 3.33Å; D492-R495 PolarHBondContact O-N 3.42Å; D492-R495 IonicContact OD1-CZ 3.4Å; D492-R495 IonicContact OD1-NH1 2.58Å; D492-R495 PolarHBondContact OD1-NH1 3.41Å; D492-R495 IonicContact OD1-NH2 2.86Å; D492-R495 PolarHBondContact OD1-NH2 3.36Å; D492-A496 WeakPolarHBondContact O-CB 3.46Å; D492-A496 PolarHBondContact O-N 3.4Å
493	R	82.2	Confident	79.1	Confident	31 Å²	31	53.8 Å²	53.8	12%	0.117	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-47.8	174.9	-66.7	-179.1	-45.3	173.2	2.1	111.1	F485 K488 S489 D490 R495 A496 L497 L562	F485-R493 HydrophobicContact CD2-CB 4.14Å; F485-R493 HydrophobicContact CD2-CG 3.86Å; F485-R493 HydrophobicContact CE2-CB 3.7Å; F485-R493 HydrophobicContact CE2-CG 3.89Å; F485-R493 HydrophobicContact CG-CG 4.25Å; F485-R493 HydrophobicContact CZ-CB 4.13Å; F485-R493 HydrophobicContact CZ-CG 4.3Å; F485-R493 WeakPolarHBondContact O-CD 3.49Å; K488-R493 HydrophobicContact CB-CG 3.93Å; S489-R493 VanDerWaalsContact O-CG 3.27Å; S489-R493 WeakPolarHBondContact O-CG 3.46Å; S489-R493 PolarHBondContact O-N 3Å; D490-R493 IonicContact OD1-CZ 3.38Å; D490-R493 IonicContact OD1-NE 3.56Å; D490-R493 PolarHBondContact OD1-NE 3.03Å; D490-R493 IonicContact OD1-NH2 3.55Å; D490-R493 PolarHBondContact OD1-NH2 2.7Å; R493-R495 VanDerWaalsContact C-N 3.33Å; R493-R495 PolarHBondContact O-N 2.91Å; R493-A496 PolarHBondContact O-N 3.04Å; R493-L497 WeakPolarHBondContact O-CG 3.48Å; R493-L497 PolarHBondContact O-N 2.86Å; R493-L497 VanDerWaalsContact O-N 3.07Å; R493-L562 HydrophobicContact CB-CD2 3.71Å
494	T	79.4	Confident	78.9	Confident	35 Å²	35	52 Å²	52	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-45.3	177.5	-58.5	0	0	0	0	110.9	D490 E491 A496 L497 Q498 L565	D490-T494 WeakPolarHBondContact O-CB 3.39Å; D490-T494 PolarHBondContact O-N 2.91Å; D490-T494 PolarHBondContact O-OG1 2.97Å; E491-T494 PolarHBondContact O-N 3.45Å; T494-A496 PolarHBondContact O-N 3.26Å; T494-L497 PolarHBondContact O-N 3.18Å; T494-Q498 HydrophobicContact CG2-CG 4.45Å; T494-Q498 VanDerWaalsContact O-CG 3.31Å; T494-Q498 WeakPolarHBondContact O-CG 3.45Å; T494-Q498 PolarHBondContact O-N 3.11Å; T494-L565 HydrophobicContact CG2-CD1 3.9Å
495	R	83.1	Confident	78.8	Confident	123 Å²	123	57.7 Å²	57.7	46%	0.464	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-42.6	177.5	-164.1	-174.3	-53.4	118.4	9.6	111.9	E491 D492 R493 L497 Q498 I499	E491-R495 VanDerWaalsContact O-CB 3.29Å; E491-R495 WeakPolarHBondContact O-CB 3.32Å; E491-R495 PolarHBondContact O-N 3.07Å; D492-R495 PolarHBondContact O-N 3.42Å; D492-R495 IonicContact OD1-CZ 3.4Å; D492-R495 IonicContact OD1-NH1 2.58Å; D492-R495 PolarHBondContact OD1-NH1 3.41Å; D492-R495 IonicContact OD1-NH2 2.86Å; D492-R495 PolarHBondContact OD1-NH2 3.36Å; R493-R495 VanDerWaalsContact C-N 3.33Å; R493-R495 PolarHBondContact O-N 2.91Å; R495-L497 PolarHBondContact O-N 3.25Å; R495-Q498 PolarHBondContact O-N 2.91Å; R495-I499 HydrophobicContact CG-CD1 4.3Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.36Å; R495-I499 PolarHBondContact O-N 3.17Å
496	A	83.9	Confident	78.8	Confident	2 Å²	2	63.3 Å²	63.3	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-44.8	176.7	0	0	0	0	0	111.5	L478 D492 R493 T494 I499 L500	L478-A496 WeakPolarHBondContact CD1-O 3.48Å; D492-A496 WeakPolarHBondContact O-CB 3.46Å; D492-A496 PolarHBondContact O-N 3.4Å; R493-A496 PolarHBondContact O-N 3.04Å; T494-A496 PolarHBondContact O-N 3.26Å; A496-I499 PolarHBondContact O-N 3.48Å; A496-L500 PolarHBondContact O-N 2.74Å
497	L	82.6	Confident	79.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-35.8	178.2	-61.8	178.3	0	0	0	112.9	F485 R493 T494 R495 I499 L500 Q501 L520 L562 L565 L566	F485-L497 HydrophobicContact CE2-CD1 4.16Å; F485-L497 HydrophobicContact CE2-CD2 4.47Å; F485-L497 HydrophobicContact CE2-CG 4.32Å; F485-L497 HydrophobicContact CZ-CD1 4.35Å; R493-L497 WeakPolarHBondContact O-CG 3.48Å; R493-L497 PolarHBondContact O-N 2.86Å; R493-L497 VanDerWaalsContact O-N 3.07Å; T494-L497 PolarHBondContact O-N 3.18Å; R495-L497 PolarHBondContact O-N 3.25Å; L497-I499 VanDerWaalsContact C-N 3.35Å; L497-L500 WeakPolarHBondContact O-CB 3.39Å; L497-L500 PolarHBondContact O-N 2.92Å; L497-Q501 PolarHBondContact O-N 3.42Å; L497-L520 HydrophobicContact CD2-CD2 4.38Å; L497-L562 HydrophobicContact CD1-CD2 4Å; L497-L565 HydrophobicContact CB-CB 4.03Å; L497-L565 HydrophobicContact CD1-CB 3.72Å; L497-L566 HydrophobicContact CD1-CD2 4.16Å; L497-L566 HydrophobicContact CD1-CG 3.82Å; L497-L566 HydrophobicContact CD2-CD2 3.4Å; L497-L566 VanDerWaalsContact CD2-CD2 3.4Å; L497-L566 HydrophobicContact CD2-CG 3.99Å; L497-L566 HydrophobicContact CG-CD2 4.43Å
498	Q	82.2	Confident	79.4	Confident	90 Å²	90	56.7 Å²	56.7	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-38.3	172.1	-73	172.2	-15.4	0	0	111.9	T494 R495 L500 Q501 N502 L565	T494-Q498 HydrophobicContact CG2-CG 4.45Å; T494-Q498 VanDerWaalsContact O-CG 3.31Å; T494-Q498 WeakPolarHBondContact O-CG 3.45Å; T494-Q498 PolarHBondContact O-N 3.11Å; R495-Q498 PolarHBondContact O-N 2.91Å; Q498-L500 VanDerWaalsContact C-N 3.31Å; Q498-L500 PolarHBondContact O-N 3.49Å; Q498-Q501 PolarHBondContact O-N 2.77Å; Q498-N502 WeakPolarHBondContact O-CB 3.34Å; Q498-N502 VanDerWaalsContact O-CG 3.3Å; Q498-N502 PolarHBondContact O-N 3.35Å; Q498-N502 PolarHBondContact O-ND2 3.43Å; Q498-L565 HydrophobicContact CG-CD2 4.37Å
499	I	83.8	Confident	79.3	Confident	23 Å²	23	60.1 Å²	60.1	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-41.6	174.3	-69.8	164.6	0	0	0	110.4	P474 L477 L478 R495 A496 L497 N502 N503	P474-I499 HydrophobicContact CB-CG2 3.84Å; P474-I499 WeakPolarHBondContact O-CG2 3.3Å; L477-I499 HydrophobicContact CB-CD1 3.93Å; L477-I499 HydrophobicContact CD1-CD1 4.45Å; L478-I499 HydrophobicContact CB-CG2 3.96Å; R495-I499 HydrophobicContact CG-CD1 4.3Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.36Å; R495-I499 PolarHBondContact O-N 3.17Å; A496-I499 PolarHBondContact O-N 3.48Å; L497-I499 VanDerWaalsContact C-N 3.35Å; I499-N502 PolarHBondContact O-N 2.96Å; I499-N503 VanDerWaalsContact O-CB 3.32Å; I499-N503 WeakPolarHBondContact O-CB 3.41Å; I499-N503 PolarHBondContact O-N 3.37Å; I499-N503 PolarHBondContact O-ND2 2.66Å
500	L	82.7	Confident	79.2	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-48.2	174.5	-179.2	65.2	0	0	0	111.2	L478 A496 L497 Q498 N502 A504 L507 I516 L520	L478-L500 HydrophobicContact CD1-CB 3.77Å; L478-L500 HydrophobicContact CD2-CB 4.43Å; L478-L500 HydrophobicContact CD2-CD1 4.1Å; A496-L500 PolarHBondContact O-N 2.74Å; L497-L500 WeakPolarHBondContact O-CB 3.39Å; L497-L500 PolarHBondContact O-N 2.92Å; Q498-L500 VanDerWaalsContact C-N 3.31Å; Q498-L500 PolarHBondContact O-N 3.49Å; L500-N502 PolarHBondContact O-N 3.44Å; L500-A504 WeakPolarHBondContact O-CB 3.49Å; L500-A504 PolarHBondContact O-N 3.44Å; L500-A504 VanDerWaalsContact O-N 3.16Å; L500-L507 HydrophobicContact CD1-CD1 4.3Å; L500-I516 HydrophobicContact CD1-CG2 4.19Å; L500-L520 HydrophobicContact CD2-CD1 3.53Å; L500-L520 HydrophobicContact CD2-CD2 4.06Å; L500-L520 HydrophobicContact CD2-CG 4.44Å
501	Q	77.6	Confident	79.4	Confident	68 Å²	68	59.5 Å²	59.5	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-32.1	-179.8	-171.8	-179.2	5.1	0	0	112.6	L497 Q498 S568 H572	L497-Q501 PolarHBondContact O-N 3.42Å; Q498-Q501 PolarHBondContact O-N 2.77Å; Q501-S568 PolarHBondContact NE2-OG 3.28Å; Q501-S568 VanDerWaalsContact NE2-OG 3.12Å; Q501-H572 PolarHBondContact O-CD2 2.91Å; Q501-H572 PolarHBondContact O-NE2 3.21Å
502	N	80.3	Confident	79.5	Confident	114 Å²	114	54.1 Å²	54.1	61%	0.61	27%	0.273	S	S	*	.	H	α-helix	trans	-99.3	-16.7	-174.1	-64.7	-21.3	0	0	0	114.2	Q498 I499 L500	Q498-N502 WeakPolarHBondContact O-CB 3.34Å; Q498-N502 VanDerWaalsContact O-CG 3.3Å; Q498-N502 PolarHBondContact O-N 3.35Å; Q498-N502 PolarHBondContact O-ND2 3.43Å; I499-N502 PolarHBondContact O-N 2.96Å; L500-N502 PolarHBondContact O-N 3.44Å
503	N	78.1	Confident	79.4	Confident	47 Å²	47	52.6 Å²	52.6	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-130.1	11.8	-171.6	-64.8	-70.9	0	0	0	114.5	I499 E505 N506	I499-N503 VanDerWaalsContact O-CB 3.32Å; I499-N503 WeakPolarHBondContact O-CB 3.41Å; I499-N503 PolarHBondContact O-N 3.37Å; I499-N503 PolarHBondContact O-ND2 2.66Å; N503-E505 PolarHBondContact O-N 3.08Å; N503-E505 VanDerWaalsContact O-N 3.12Å; N503-N506 PolarHBondContact O-N 3.35Å
504	A	74.2	Confident	79	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.025	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-53	-36.4	-178.4	0	0	0	0	0	113	L500 N506 L507	L500-A504 WeakPolarHBondContact O-CB 3.49Å; L500-A504 PolarHBondContact O-N 3.44Å; L500-A504 VanDerWaalsContact O-N 3.16Å; A504-N506 VanDerWaalsContact C-N 3.27Å; A504-N506 PolarHBondContact O-N 3.22Å; A504-L507 PolarHBondContact O-N 2.67Å
505	E	75.2	Confident	78.8	Confident	134 Å²	134	53.7 Å²	53.7	63%	0.626	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-64.8	-27.9	-178.6	-34.5	-164	148.3	0	0	113.8	N503 V576	N503-E505 PolarHBondContact O-N 3.08Å; N503-E505 VanDerWaalsContact O-N 3.12Å; E505-V576 HydrophobicContact CB-CG1 3.86Å; E505-V576 HydrophobicContact CG-CB 4.37Å; E505-V576 HydrophobicContact CG-CG1 3.61Å; E505-V576 HydrophobicContact CG-CG2 3.8Å; E505-V576 WeakPolarHBondContact OE1-CG2 3.45Å
506	N	78.3	Confident	78.7	Confident	126 Å²	126	47.8 Å²	47.8	67%	0.674	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-88.2	-6.1	-175.5	-67.2	-36.8	0	0	0	112.9	N503 A504	N503-N506 PolarHBondContact O-N 3.35Å; A504-N506 VanDerWaalsContact C-N 3.27Å; A504-N506 PolarHBondContact O-N 3.22Å
507	L	79.5	Confident	78.6	Confident	15 Å²	15	48 Å²	48	8%	0.079	25%	0.254	C	S	.	.	S	Bend	trans	-82.6	131.6	-175.7	-61.5	173.3	0	0	0	110.9	T475 L478 L500 A504 L512 I516	T475-L507 HydrophobicContact CG2-CD2 3.62Å; T475-L507 WeakPolarHBondContact OG1-CD2 3.38Å; L478-L507 HydrophobicContact CD2-CD1 3.63Å; L478-L507 HydrophobicContact CD2-CD2 4.23Å; L500-L507 HydrophobicContact CD1-CD1 4.3Å; A504-L507 PolarHBondContact O-N 2.67Å; L507-L512 HydrophobicContact CB-CB 4.35Å; L507-L512 HydrophobicContact CB-CD1 4.31Å; L507-L512 HydrophobicContact CD1-CD1 3.81Å; L507-I516 HydrophobicContact CD1-CD1 3.81Å
508	S	79.5	Confident	78.4	Confident	59 Å²	59	51.2 Å²	51.2	41%	0.413	27%	0.274	S	S	.	.			trans	-63.4	140.1	174.8	73.6	0	0	0	0	111.3	P510 I511 L512	S508-P510 VanDerWaalsContact C-CD 3.43Å; S508-P510 VanDerWaalsContact C-N 3.35Å; S508-I511 PolarHBondContact O-N 3.45Å; S508-I511 WeakPolarHBondContact OG-CD1 3.41Å; S508-I511 WeakPolarHBondContact OG-CG1 3.48Å; S508-L512 PolarHBondContact O-N 2.91Å
509	K	77	Confident	78.3	Confident	113 Å²	113	49 Å²	49	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-49.8	-43.7	179.6	-61.6	-169.8	176.5	-160.5	0	114.3	I511 L512 Y513 D581	K509-I511 VanDerWaalsContact C-N 3.3Å; K509-I511 PolarHBondContact O-N 3.14Å; K509-L512 PolarHBondContact O-N 3.3Å; K509-Y513 HydrophobicContact CB-CD2 4.03Å; K509-Y513 HydrophobicContact CB-CE2 4.22Å; K509-Y513 HydrophobicContact CG-CD2 4.46Å; K509-Y513 HydrophobicContact CG-CE2 4.15Å; K509-Y513 WeakPolarHBondContact O-CD2 3.3Å; K509-Y513 PolarHBondContact O-N 3.18Å; K509-D581 VanDerWaalsContact CE-OD2 3.25Å; K509-D581 WeakPolarHBondContact CE-OD2 3.2Å; K509-D581 IonicContact NZ-OD1 3.5Å; K509-D581 PolarHBondContact NZ-OD1 3.21Å; K509-D581 IonicContact NZ-OD2 3.48Å; K509-D581 PolarHBondContact NZ-OD2 3.11Å
510	P	73.6	Confident	78.1	Confident	67 Å²	67	48 Å²	48	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-32.6	-180	-22.9	35.1	0	0	0	113.6	S508 G514	S508-P510 VanDerWaalsContact C-CD 3.43Å; S508-P510 VanDerWaalsContact C-N 3.35Å; P510-G514 WeakPolarHBondContact O-CA 3.44Å; P510-G514 PolarHBondContact O-N 2.73Å; P510-G514 VanDerWaalsContact O-N 3.1Å
511	I	76.5	Confident	77.9	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-77	-46.4	176.3	-64.6	174.9	0	0	0	109.7	M173 T475 L479 S508 K509 R515 I516	M173-I511 HydrophobicContact CB-CD1 4.1Å; M173-I511 HydrophobicContact CG-CD1 3.85Å; T475-I511 HydrophobicContact CG2-CD1 4.29Å; T475-I511 HydrophobicContact CG2-CG2 4.47Å; L479-I511 HydrophobicContact CD1-CG2 3.79Å; L479-I511 HydrophobicContact CD2-CG2 3.96Å; L479-I511 HydrophobicContact CG-CG2 4.28Å; S508-I511 PolarHBondContact O-N 3.45Å; S508-I511 WeakPolarHBondContact OG-CD1 3.41Å; S508-I511 WeakPolarHBondContact OG-CG1 3.48Å; K509-I511 VanDerWaalsContact C-N 3.3Å; K509-I511 PolarHBondContact O-N 3.14Å; I511-R515 WeakPolarHBondContact O-CB 3.4Å; I511-R515 PolarHBondContact O-N 2.86Å; I511-I516 HydrophobicContact CG2-CD1 3.85Å; I511-I516 HydrophobicContact CG2-CG1 4.27Å; I511-I516 PolarHBondContact O-N 3.38Å
512	L	79	Confident	78	Confident	11 Å²	11	49.4 Å²	49.4	6%	0.058	27%	0.268	C	S	.	.	I	π-helix	trans	-61.4	-59	-176.8	-171.7	62.4	0	0	0	111.6	L507 S508 K509 I516 M517 L573	L507-L512 HydrophobicContact CB-CB 4.35Å; L507-L512 HydrophobicContact CB-CD1 4.31Å; L507-L512 HydrophobicContact CD1-CD1 3.81Å; S508-L512 PolarHBondContact O-N 2.91Å; K509-L512 PolarHBondContact O-N 3.3Å; L512-I516 HydrophobicContact CD1-CD1 4.42Å; L512-I516 HydrophobicContact CD1-CG2 4.47Å; L512-I516 WeakPolarHBondContact O-CB 3.39Å; L512-I516 PolarHBondContact O-N 3.5Å; L512-M517 WeakPolarHBondContact O-CB 3.33Å; L512-M517 PolarHBondContact O-N 3.01Å; L512-L573 HydrophobicContact CD1-CD1 3.54Å; L512-L573 HydrophobicContact CD1-CG 4.37Å; L512-L573 HydrophobicContact CD2-CD1 4.31Å; L512-L573 HydrophobicContact CD2-CG 4.37Å; L512-L573 HydrophobicContact CG-CD1 3.99Å
513	Y	79	Confident	77.8	Confident	21 Å²	21	44.4 Å²	44.4	8%	0.082	24%	0.242	C	C	.	.	I	π-helix	trans	-85.8	-27.1	-176.2	-56.5	-59.4	0	0	0	113.1	K509 P518 L573 C577 D581 Y585 I586	K509-Y513 HydrophobicContact CB-CD2 4.03Å; K509-Y513 HydrophobicContact CB-CE2 4.22Å; K509-Y513 HydrophobicContact CG-CD2 4.46Å; K509-Y513 HydrophobicContact CG-CE2 4.15Å; K509-Y513 WeakPolarHBondContact O-CD2 3.3Å; K509-Y513 PolarHBondContact O-N 3.18Å; Y513-P518 WeakPolarHBondContact O-CD 3.3Å; Y513-L573 HydrophobicContact CE1-CD2 4.21Å; Y513-C577 WeakPolarHBondContact OH-CB 3.17Å; Y513-D581 HydrophobicContact CE2-CB 3.82Å; Y513-D581 WeakPolarHBondContact OH-CB 3.26Å; Y513-Y585 HydrophobicContact CD1-CD2 4.31Å; Y513-Y585 HydrophobicContact CD1-CG 4.14Å; Y513-Y585 AromaticContact CD2-CD2 3.97Å; Y513-Y585 HydrophobicContact CD2-CD2 3.97Å; Y513-Y585 HydrophobicContact CD2-CE2 4.3Å; Y513-Y585 HydrophobicContact CD2-CG 4.4Å; Y513-Y585 HydrophobicContact CE2-CD2 4.4Å; Y513-Y585 HydrophobicContact CG-CD1 4.47Å; Y513-Y585 AromaticContact CG-CD2 3.92Å; Y513-Y585 HydrophobicContact CG-CD2 3.92Å; Y513-Y585 AromaticContact CG-CG 3.89Å; Y513-Y585 HydrophobicContact CG-CG 3.89Å; Y513-I586 HydrophobicContact CE1-CD1 3.97Å; Y513-I586 HydrophobicContact CE1-CG1 4.09Å
514	G	72.9	Confident	77.7	Confident	37 Å²	37	42.3 Å²	42.3	38%	0.381	23%	0.23	S	C	.	.	I	π-helix	trans	-84.6	-24.6	-178.8	0	0	0	0	0	114.8	P510	P510-G514 WeakPolarHBondContact O-CA 3.44Å; P510-G514 PolarHBondContact O-N 2.73Å; P510-G514 VanDerWaalsContact O-N 3.1Å
515	R	75.9	Confident	77.7	Confident	52 Å²	52	46.4 Å²	46.4	20%	0.196	25%	0.245	C	C	.	.	I	π-helix	trans	-128.7	-50.5	-177.3	-63.4	-170.9	-179.3	172.9	6.4	114	D174 N211 L479 I511 T519	D174-R515 IonicContact OD1-CZ 2.83Å; D174-R515 IonicContact OD1-NH1 3.64Å; D174-R515 PolarHBondContact OD1-NH1 3.29Å; D174-R515 IonicContact OD1-NH2 2.79Å; D174-R515 PolarHBondContact OD1-NH2 2.94Å; D174-R515 IonicContact OD2-NH2 3.81Å; N211-R515 VanDerWaalsContact CG-NH2 3.28Å; N211-R515 PolarHBondContact ND2-NH2 3.23Å; L479-R515 HydrophobicContact CD2-CB 4.46Å; I511-R515 WeakPolarHBondContact O-CB 3.4Å; I511-R515 PolarHBondContact O-N 2.86Å; R515-T519 WeakPolarHBondContact O-CB 3.33Å; R515-T519 PolarHBondContact O-N 3.04Å; R515-T519 PolarHBondContact O-OG1 3.46Å
516	I	81.6	Confident	77.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-70.3	-54.2	-172.7	-66.3	170.4	0	0	0	110.2	L478 L479 I482 L500 L507 I511 L512 T519 L520	L478-I516 HydrophobicContact CD2-CD1 3.72Å; L478-I516 HydrophobicContact CG-CD1 4.33Å; L479-I516 HydrophobicContact CD2-CD1 4.07Å; L479-I516 HydrophobicContact CD2-CG1 3.62Å; I482-I516 HydrophobicContact CD1-CG2 4.08Å; L500-I516 HydrophobicContact CD1-CG2 4.19Å; L507-I516 HydrophobicContact CD1-CD1 3.81Å; I511-I516 HydrophobicContact CG2-CD1 3.85Å; I511-I516 HydrophobicContact CG2-CG1 4.27Å; I511-I516 PolarHBondContact O-N 3.38Å; L512-I516 HydrophobicContact CD1-CD1 4.42Å; L512-I516 HydrophobicContact CD1-CG2 4.47Å; L512-I516 WeakPolarHBondContact O-CB 3.39Å; L512-I516 PolarHBondContact O-N 3.5Å; I516-T519 PolarHBondContact O-N 3.41Å; I516-T519 VanDerWaalsContact O-N 3.09Å; I516-L520 HydrophobicContact CG2-CD1 3.6Å; I516-L520 HydrophobicContact CG2-CG 3.99Å; I516-L520 WeakPolarHBondContact O-CG 3.47Å; I516-L520 PolarHBondContact O-N 3.14Å
517	M	80.9	Confident	77.1	Confident	7 Å²	7	37 Å²	37	3%	0.034	20%	0.198	C	C	.	.	H	α-helix	trans	-57.7	-50.2	-175.2	-171.4	65.9	-177.5	0	0	113	L512 T519 L520 I521 L570 L573 I586	L512-M517 WeakPolarHBondContact O-CB 3.33Å; L512-M517 PolarHBondContact O-N 3.01Å; M517-T519 PolarHBondContact O-N 2.88Å; M517-L520 PolarHBondContact O-N 3.28Å; M517-I521 HydrophobicContact CE-CD1 3.9Å; M517-I521 HydrophobicContact CE-CG1 4.06Å; M517-I521 HydrophobicContact CG-CD1 3.88Å; M517-I521 WeakPolarHBondContact O-CD1 3.33Å; M517-I521 VanDerWaalsContact O-CG1 3.31Å; M517-I521 WeakPolarHBondContact O-CG1 3.27Å; M517-I521 PolarHBondContact O-N 3.4Å; M517-I521 HydrophobicContact SD-CD1 4.42Å; M517-L570 HydrophobicContact CE-CD2 3.87Å; M517-L570 HydrophobicContact SD-CD2 3.63Å; M517-L573 HydrophobicContact SD-CD1 4.24Å; M517-L573 HydrophobicContact SD-CD2 4.49Å; M517-I586 HydrophobicContact CE-CG2 4.02Å
518	P	79	Confident	76.5	Confident	67 Å²	67	37.6 Å²	37.6	44%	0.435	20%	0.2	S	C	.	.	H	α-helix	trans	-59.5	-35.8	177.1	-23.9	35.2	0	0	0	112.9	Y513 Q522	Y513-P518 WeakPolarHBondContact O-CD 3.3Å; P518-Q522 WeakPolarHBondContact O-CB 3.46Å; P518-Q522 PolarHBondContact O-N 3.35Å; P518-Q522 VanDerWaalsContact O-N 3.07Å
519	T	79.1	Confident	75.9	Confident	45 Å²	45	38.6 Å²	38.6	28%	0.276	20%	0.204	S	C	.	.	H	α-helix	trans	-71.9	-41	179.1	-48.4	0	0	0	0	111.3	I482 R515 I516 M517 I521 Q522 L523	I482-T519 HydrophobicContact CG2-CG2 3.4Å; R515-T519 WeakPolarHBondContact O-CB 3.33Å; R515-T519 PolarHBondContact O-N 3.04Å; R515-T519 PolarHBondContact O-OG1 3.46Å; I516-T519 PolarHBondContact O-N 3.41Å; I516-T519 VanDerWaalsContact O-N 3.09Å; M517-T519 PolarHBondContact O-N 2.88Å; T519-I521 PolarHBondContact O-N 3.38Å; T519-Q522 PolarHBondContact O-N 3.22Å; T519-L523 HydrophobicContact CG2-CD1 4.25Å; T519-L523 HydrophobicContact CG2-CG 4.43Å; T519-L523 WeakPolarHBondContact O-CB 3.28Å; T519-L523 VanDerWaalsContact O-CG 3.25Å; T519-L523 WeakPolarHBondContact O-CG 3.4Å; T519-L523 PolarHBondContact O-N 2.91Å
520	L	80.3	Confident	75	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-43	175.3	-69.6	174.7	0	0	0	112.1	I482 L497 L500 I516 M517 Q522 L523 H524 L566 L570	I482-L520 HydrophobicContact CD1-CD2 3.88Å; I482-L520 HydrophobicContact CD1-CG 4.45Å; L497-L520 HydrophobicContact CD2-CD2 4.38Å; L500-L520 HydrophobicContact CD2-CD1 3.53Å; L500-L520 HydrophobicContact CD2-CD2 4.06Å; L500-L520 HydrophobicContact CD2-CG 4.44Å; I516-L520 HydrophobicContact CG2-CD1 3.6Å; I516-L520 HydrophobicContact CG2-CG 3.99Å; I516-L520 WeakPolarHBondContact O-CG 3.47Å; I516-L520 PolarHBondContact O-N 3.14Å; M517-L520 PolarHBondContact O-N 3.28Å; L520-Q522 VanDerWaalsContact C-N 3.33Å; L520-Q522 PolarHBondContact O-N 3.42Å; L520-L523 PolarHBondContact O-N 2.77Å; L520-H524 WeakPolarHBondContact O-CB 3.33Å; L520-H524 PolarHBondContact O-N 2.77Å; L520-L566 HydrophobicContact CD2-CD2 3.57Å; L520-L570 HydrophobicContact CB-CD2 4.13Å; L520-L570 HydrophobicContact CD1-CD2 3.92Å
521	I	78.2	Confident	74.1	Confident	7 Å²	7	38 Å²	38	4%	0.036	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-43.8	176.8	-65.1	155.3	0	0	0	110.4	M517 T519 H524 R525 D589	M517-I521 HydrophobicContact CE-CD1 3.9Å; M517-I521 HydrophobicContact CE-CG1 4.06Å; M517-I521 HydrophobicContact CG-CD1 3.88Å; M517-I521 WeakPolarHBondContact O-CD1 3.33Å; M517-I521 VanDerWaalsContact O-CG1 3.31Å; M517-I521 WeakPolarHBondContact O-CG1 3.27Å; M517-I521 PolarHBondContact O-N 3.4Å; M517-I521 HydrophobicContact SD-CD1 4.42Å; T519-I521 PolarHBondContact O-N 3.38Å; I521-H524 PolarHBondContact O-N 3.37Å; I521-R525 WeakPolarHBondContact O-CG 3.42Å; I521-R525 PolarHBondContact O-N 3.31Å; I521-D589 HydrophobicContact CD1-CB 3.44Å; I521-D589 VanDerWaalsContact CD1-CB 3.44Å; I521-D589 VanDerWaalsContact CD1-OD2 3.25Å; I521-D589 WeakPolarHBondContact CD1-OD2 3.46Å; I521-D589 HydrophobicContact CG1-CB 4.04Å
522	Q	79.3	Confident	72.5	Confident	90 Å²	90	42.4 Å²	42.4	42%	0.421	21%	0.21	S	C	.	.	H	α-helix	trans	-62.4	-45	176.7	180	59.6	24.1	0	0	111.4	P518 T519 L520 H524 R525 E526	P518-Q522 WeakPolarHBondContact O-CB 3.46Å; P518-Q522 PolarHBondContact O-N 3.35Å; P518-Q522 VanDerWaalsContact O-N 3.07Å; T519-Q522 PolarHBondContact O-N 3.22Å; L520-Q522 VanDerWaalsContact C-N 3.33Å; L520-Q522 PolarHBondContact O-N 3.42Å; Q522-H524 PolarHBondContact O-N 3.22Å; Q522-R525 PolarHBondContact O-N 3.27Å; Q522-E526 PolarHBondContact NE2-OE1 2.85Å; Q522-E526 WeakPolarHBondContact O-CG 3.14Å; Q522-E526 PolarHBondContact O-N 3.42Å
523	L	77.4	Confident	70.9	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-43.4	177.3	-73.4	172.7	0	0	0	112.1	I482 F485 T519 L520 R525 E526 L527	I482-L523 HydrophobicContact CG2-CD1 4.17Å; F485-L523 HydrophobicContact CB-CD1 4.04Å; F485-L523 HydrophobicContact CB-CD2 3.83Å; F485-L523 HydrophobicContact CD1-CD1 4.29Å; F485-L523 HydrophobicContact CD1-CD2 3.64Å; F485-L523 HydrophobicContact CD2-CD1 4.12Å; F485-L523 HydrophobicContact CE1-CD2 4.38Å; F485-L523 HydrophobicContact CG-CD1 3.91Å; F485-L523 HydrophobicContact CG-CD2 3.88Å; T519-L523 HydrophobicContact CG2-CD1 4.25Å; T519-L523 HydrophobicContact CG2-CG 4.43Å; T519-L523 WeakPolarHBondContact O-CB 3.28Å; T519-L523 VanDerWaalsContact O-CG 3.25Å; T519-L523 WeakPolarHBondContact O-CG 3.4Å; T519-L523 PolarHBondContact O-N 2.91Å; L520-L523 PolarHBondContact O-N 2.77Å; L523-R525 PolarHBondContact O-N 3.46Å; L523-E526 PolarHBondContact O-N 2.84Å; L523-L527 WeakPolarHBondContact O-CG 3.44Å; L523-L527 PolarHBondContact O-N 3.45Å
524	H	76	Confident	69.2	Low	2 Å²	2	49.8 Å²	49.8	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-45.7	176.2	179	64.2	0	0	0	111.7	L520 I521 Q522 E526 L527 E528	L520-H524 WeakPolarHBondContact O-CB 3.33Å; L520-H524 PolarHBondContact O-N 2.77Å; I521-H524 PolarHBondContact O-N 3.37Å; Q522-H524 PolarHBondContact O-N 3.22Å; H524-E526 VanDerWaalsContact C-N 3.31Å; H524-E526 PolarHBondContact O-N 2.63Å; H524-L527 PolarHBondContact O-N 3.48Å; H524-E528 IonicContact CE1-OE1 2.83Å; H524-E528 IonicContact NE2-OE1 3.52Å; H524-E528 PolarHBondContact NE2-OE1 2.81Å; H524-E528 IonicContact NE2-OE2 2.7Å; H524-E528 WeakPolarHBondContact O-CG 3.45Å; H524-E528 PolarHBondContact O-N 3.14Å
525	R	73.8	Confident	67.6	Low	89 Å²	89	53.9 Å²	53.9	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-39.9	175.3	-70.3	174.9	-174.7	171.5	6	112.1	I521 Q522 L523 T529 D589 N592	I521-R525 WeakPolarHBondContact O-CG 3.42Å; I521-R525 PolarHBondContact O-N 3.31Å; Q522-R525 PolarHBondContact O-N 3.27Å; L523-R525 PolarHBondContact O-N 3.46Å; R525-T529 VanDerWaalsContact O-CG2 3.3Å; R525-T529 WeakPolarHBondContact O-CG2 3.37Å; R525-T529 PolarHBondContact O-N 2.95Å; R525-T529 VanDerWaalsContact O-N 3.12Å; R525-T529 PolarHBondContact O-OG1 2.97Å; R525-D589 IonicContact NH2-OD1 2.79Å; R525-N592 PolarHBondContact NH2-ND2 3.46Å; R525-N592 VanDerWaalsContact NH2-ND2 3.2Å
526	E	72.7	Confident	65.8	Low	48 Å²	48	55.1 Å²	55.1	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-39.4	177.3	-74.8	176.6	-167.9	0	0	112.6	Q486 Q522 L523 H524 T529 R530	Q486-E526 PolarHBondContact NE2-OE2 2.9Å; Q522-E526 PolarHBondContact NE2-OE1 2.85Å; Q522-E526 WeakPolarHBondContact O-CG 3.14Å; Q522-E526 PolarHBondContact O-N 3.42Å; L523-E526 PolarHBondContact O-N 2.84Å; H524-E526 VanDerWaalsContact C-N 3.31Å; H524-E526 PolarHBondContact O-N 2.63Å; E526-T529 WeakPolarHBondContact CA-OG1 3.27Å; E526-T529 PolarHBondContact O-OG1 3.03Å; E526-R530 VanDerWaalsContact O-CG 3.32Å; E526-R530 WeakPolarHBondContact O-CG 3.5Å; E526-R530 PolarHBondContact O-N 3.46Å; E526-R530 VanDerWaalsContact O-N 3.12Å
527	L	68.9	Low	63.8	Low	15 Å²	15	59.5 Å²	59.5	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-73.1	-39.6	179.4	-68.6	168.8	0	0	0	112.2	L523 H524 T529 R530 Q531 D563 L566	L523-L527 WeakPolarHBondContact O-CG 3.44Å; L523-L527 PolarHBondContact O-N 3.45Å; H524-L527 PolarHBondContact O-N 3.48Å; L527-T529 PolarHBondContact O-N 2.87Å; L527-R530 PolarHBondContact O-N 2.53Å; L527-Q531 PolarHBondContact O-N 3.25Å; L527-Q531 VanDerWaalsContact O-N 3.16Å; L527-D563 WeakPolarHBondContact CB-OD1 3.49Å; L527-D563 WeakPolarHBondContact CD1-OD1 3.48Å; L527-L566 HydrophobicContact CD1-CD1 3.2Å
528	E	65.7	Low	61.7	Low	28 Å²	28	63.6 Å²	63.6	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-45.2	173.5	-74.4	-161.5	141.6	0	0	111.9	H524 R530 Q531 F532 S597	H524-E528 IonicContact CE1-OE1 2.83Å; H524-E528 IonicContact NE2-OE1 3.52Å; H524-E528 PolarHBondContact NE2-OE1 2.81Å; H524-E528 IonicContact NE2-OE2 2.7Å; H524-E528 WeakPolarHBondContact O-CG 3.45Å; H524-E528 PolarHBondContact O-N 3.14Å; E528-R530 VanDerWaalsContact C-N 3.35Å; E528-R530 PolarHBondContact O-N 3.25Å; E528-Q531 PolarHBondContact O-N 3.18Å; E528-F532 PolarHBondContact O-N 3.27Å; E528-F532 VanDerWaalsContact O-N 3.12Å; E528-S597 WeakPolarHBondContact OE1-CA 3.43Å
529	T	66.9	Low	59.9	Low	79 Å²	79	69.8 Å²	69.8	49%	0.485	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-33.9	179.1	52.1	0	0	0	0	113	R525 E526 L527 F532 N533	R525-T529 VanDerWaalsContact O-CG2 3.3Å; R525-T529 WeakPolarHBondContact O-CG2 3.37Å; R525-T529 PolarHBondContact O-N 2.95Å; R525-T529 VanDerWaalsContact O-N 3.12Å; R525-T529 PolarHBondContact O-OG1 2.97Å; E526-T529 WeakPolarHBondContact CA-OG1 3.27Å; E526-T529 PolarHBondContact O-OG1 3.03Å; L527-T529 PolarHBondContact O-N 2.87Å; T529-F532 PolarHBondContact O-N 2.98Å; T529-N533 PolarHBondContact O-N 3.3Å; T529-N533 PolarHBondContact O-ND2 3.26Å
530	R	59.4	Low	58	Low	133 Å²	133	73.4 Å²	73.4	50%	0.502	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-38.7	174.7	-77	-176.5	-169.8	-157.6	5.1	112.6	E526 L527 E528 K534	E526-R530 VanDerWaalsContact O-CG 3.32Å; E526-R530 WeakPolarHBondContact O-CG 3.5Å; E526-R530 PolarHBondContact O-N 3.46Å; E526-R530 VanDerWaalsContact O-N 3.12Å; L527-R530 PolarHBondContact O-N 2.53Å; E528-R530 VanDerWaalsContact C-N 3.35Å; E528-R530 PolarHBondContact O-N 3.25Å; R530-K534 PolarHBondContact O-N 3.27Å
531	Q	54.2	Low	55.9	Low	36 Å²	36	76.4 Å²	76.4	17%	0.168	36%	0.363	C	S	.	.	H	α-helix	trans	-69	-36.4	176.7	-70.9	176	-2.4	0	0	111.7	L527 E528 Q535 D563 N599	L527-Q531 PolarHBondContact O-N 3.25Å; L527-Q531 VanDerWaalsContact O-N 3.16Å; E528-Q531 PolarHBondContact O-N 3.18Å; Q531-Q535 PolarHBondContact O-N 3.39Å; Q531-D563 PolarHBondContact NE2-OD2 3.36Å; Q531-N599 PolarHBondContact OE1-ND2 3.29Å
532	F	43.2	Very low	53.8	Low	113 Å²	113	81.3 Å²	81.3	50%	0.496	39%	0.393	S	S	.	.	H	α-helix	trans	-66.6	-44.2	175.1	-167.3	-98.2	0	0	0	112.7	E528 T529 K534 Q535 I536	E528-F532 PolarHBondContact O-N 3.27Å; E528-F532 VanDerWaalsContact O-N 3.12Å; T529-F532 PolarHBondContact O-N 2.98Å; F532-K534 VanDerWaalsContact C-N 3.3Å; F532-K534 PolarHBondContact O-N 3.35Å; F532-Q535 PolarHBondContact O-N 3.18Å; F532-I536 HydrophobicContact CD1-CD1 4.01Å; F532-I536 HydrophobicContact CE1-CD1 3.68Å; F532-I536 PolarHBondContact O-N 3.27Å
533	N	44	Very low	51.8	Low	93 Å²	93	85 Å²	85	50%	0.497	41%	0.413	S	S	.	.	H	α-helix	trans	-67.7	-27.4	-179.3	-73.2	-20.8	0	0	0	113.3	T529 N537	T529-N533 PolarHBondContact O-N 3.3Å; T529-N533 PolarHBondContact O-ND2 3.26Å; N533-N537 PolarHBondContact O-N 2.76Å; N533-N537 PolarHBondContact O-ND2 3.45Å
534	K	42.9	Very low	49.5	Very low	94 Å²	94	90.8 Å²	90.8	41%	0.409	44%	0.443	S	S	.	.	H	α-helix	trans	-67.6	-42.7	172.6	-83.1	-173	172.8	-170.9	0	112.3	R530 F532 I536 N537 D538	R530-K534 PolarHBondContact O-N 3.27Å; F532-K534 VanDerWaalsContact C-N 3.3Å; F532-K534 PolarHBondContact O-N 3.35Å; K534-I536 PolarHBondContact O-N 3.07Å; K534-N537 PolarHBondContact O-N 2.88Å; K534-D538 PolarHBondContact O-N 3.43Å
535	Q	40.1	Very low	47.3	Very low	122 Å²	122	95.9 Å²	95.9	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-59.9	-33.1	179	-71	-177.9	-2.9	0	0	113.1	Q531 F532 Y539	Q531-Q535 PolarHBondContact O-N 3.39Å; F532-Q535 PolarHBondContact O-N 3.18Å; Q535-Y539 PolarHBondContact O-N 2.89Å
536	I	38	Very low	45.3	Very low	79 Å²	79	96.9 Å²	96.9	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-71.2	-38.1	175.6	-62.9	173.5	0	0	0	111.1	F532 K534 Y539 N540	F532-I536 HydrophobicContact CD1-CD1 4.01Å; F532-I536 HydrophobicContact CE1-CD1 3.68Å; F532-I536 PolarHBondContact O-N 3.27Å; K534-I536 PolarHBondContact O-N 3.07Å; I536-Y539 PolarHBondContact O-N 3.45Å; I536-N540 PolarHBondContact O-N 2.97Å
537	N	39.8	Very low	43.2	Very low	92 Å²	92	103 Å²	103	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-73.3	-32.4	-179.8	-70.3	-20.5	0	0	0	112.4	N533 K534 Y539 N540 T541	N533-N537 PolarHBondContact O-N 2.76Å; N533-N537 PolarHBondContact O-ND2 3.45Å; K534-N537 PolarHBondContact O-N 2.88Å; N537-Y539 VanDerWaalsContact C-N 3.28Å; N537-Y539 PolarHBondContact O-N 2.77Å; N537-N540 PolarHBondContact O-N 3.25Å; N537-N540 VanDerWaalsContact O-N 3.14Å; N537-T541 WeakPolarHBondContact O-CB 3.03Å; N537-T541 PolarHBondContact O-N 3.12Å; N537-T541 PolarHBondContact O-OG1 3.33Å
538	D	37.7	Very low	41.4	Very low	92 Å²	92	108.7 Å²	108.7	49%	0.492	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-34.3	174.3	-67.7	-23.4	0	0	0	111.7	K534 N540 T541 T542	K534-D538 PolarHBondContact O-N 3.43Å; D538-N540 VanDerWaalsContact C-N 3.31Å; D538-N540 PolarHBondContact O-N 3.1Å; D538-T541 PolarHBondContact O-N 2.94Å; D538-T542 WeakPolarHBondContact O-CB 3.48Å; D538-T542 WeakPolarHBondContact O-CG2 3.47Å; D538-T542 PolarHBondContact O-N 3.3Å; D538-T542 PolarHBondContact O-OG1 2.98Å
539	Y	40.1	Very low	39.7	Very low	197 Å²	197	113.3 Å²	113.3	77%	0.773	57%	0.573	S	S	*	*	H	α-helix	trans	-65.9	-32.7	172.4	-108.9	-82.7	0	0	0	113.1	Q535 I536 N537 T542	Q535-Y539 PolarHBondContact O-N 2.89Å; I536-Y539 PolarHBondContact O-N 3.45Å; N537-Y539 VanDerWaalsContact C-N 3.28Å; N537-Y539 PolarHBondContact O-N 2.77Å; Y539-T542 PolarHBondContact O-OG1 2.92Å
540	N	40.3	Very low	38.1	Very low	121 Å²	121	116.7 Å²	116.7	65%	0.647	59%	0.587	S	S	*	*	H	α-helix	trans	-84.8	-23.5	177.9	-70.1	-25.9	0	0	0	113	I536 N537 D538	I536-N540 PolarHBondContact O-N 2.97Å; N537-N540 PolarHBondContact O-N 3.25Å; N537-N540 VanDerWaalsContact O-N 3.14Å; D538-N540 VanDerWaalsContact C-N 3.31Å; D538-N540 PolarHBondContact O-N 3.1Å
541	T	34.4	Very low	36.9	Very low	65 Å²	65	114.1 Å²	114.1	40%	0.399	59%	0.589	S	S	.	*	H	α-helix	trans	-94.3	-19.2	-176.4	-42.4	0	0	0	0	112.6	N537 D538 M543 L544 F548	N537-T541 WeakPolarHBondContact O-CB 3.03Å; N537-T541 PolarHBondContact O-N 3.12Å; N537-T541 PolarHBondContact O-OG1 3.33Å; D538-T541 PolarHBondContact O-N 2.94Å; T541-M543 PolarHBondContact O-N 3.44Å; T541-L544 PolarHBondContact O-N 2.98Å; T541-F548 HydrophobicContact CG2-CE2 4.12Å
542	T	35.8	Very low	35.8	Very low	110 Å²	110	117.5 Å²	117.5	68%	0.675	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-7.5	176.9	33.7	0	0	0	0	114.6	D538 Y539	D538-T542 WeakPolarHBondContact O-CB 3.48Å; D538-T542 WeakPolarHBondContact O-CG2 3.47Å; D538-T542 PolarHBondContact O-N 3.3Å; D538-T542 PolarHBondContact O-OG1 2.98Å; Y539-T542 PolarHBondContact O-OG1 2.92Å
543	M	36.2	Very low	35.1	Very low	167 Å²	167	117.7 Å²	117.7	82%	0.823	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-8.2	172.1	-80.6	-70.7	150.1	0	0	115	T541	T541-M543 PolarHBondContact O-N 3.44Å
544	L	29.7	Very low	34.8	Very low	131 Å²	131	116 Å²	116	69%	0.686	61%	0.606	S	S	*	*	S	Bend	trans	-139.3	110.3	179.3	-70.9	171.6	0	0	0	112.5	T541	T541-L544 PolarHBondContact O-N 2.98Å
545	T	29.1	Very low	34.7	Very low	110 Å²	110	115.5 Å²	115.5	68%	0.675	61%	0.607	S	S	*	*			trans	81.1	104.8	156.1	66.5	0	0	0	0	118.5	H547	T545-H547 VanDerWaalsContact C-N 3.32Å; T545-H547 PolarHBondContact O-N 2.94Å
546	S	32.1	Very low	34.6	Very low	109 Å²	109	113.7 Å²	113.7	76%	0.762	60%	0.599	S	S	*	*	S	Bend	trans	-73.7	70.1	168	56.3	0	0	0	0	111.9
547	H	29.3	Very low	35	Very low	177 Å²	177	117.2 Å²	117.2	82%	0.819	61%	0.614	S	S	*	*			trans	-157.7	75.7	161.6	-76.7	-59.4	0	0	0	109.3	T545	T545-H547 VanDerWaalsContact C-N 3.32Å; T545-H547 PolarHBondContact O-N 2.94Å
548	F	31.3	Very low	35.6	Very low	135 Å²	135	115.3 Å²	115.3	59%	0.592	60%	0.603	S	S	*	*			trans	-110	131.2	173.9	-95.6	-83.3	0	0	0	112.1	T541	T541-F548 HydrophobicContact CG2-CE2 4.12Å
549	N	30.1	Very low	36.2	Very low	124 Å²	124	113 Å²	113	66%	0.663	59%	0.594	S	S	*	*			trans	-69.9	145	-168.1	-74.2	-48.7	0	0	0	114.1	S551 Q552	N549-S551 PolarHBondContact O-N 2.94Å; N549-Q552 PolarHBondContact O-N 3.43Å
550	I	33.3	Very low	36.9	Very low	151 Å²	151	106.2 Å²	106.2	77%	0.774	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-17.1	177.1	-67	167.7	0	0	0	113.8	Q552	I550-Q552 VanDerWaalsContact C-N 3.27Å; I550-Q552 PolarHBondContact O-N 3.49Å
551	S	32.5	Very low	38.2	Very low	78 Å²	78	105 Å²	105	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-71.6	-11.1	179.2	59.3	0	0	0	0	115.4	N549 S554 N555	N549-S551 PolarHBondContact O-N 2.94Å; S551-S554 PolarHBondContact O-OG 3.24Å; S551-N555 PolarHBondContact O-ND2 3.18Å
552	Q	32.4	Very low	40	Very low	107 Å²	107	102 Å²	102	50%	0.5	55%	0.545	S	S	.	.	H	α-helix	trans	-85	-29.2	177	-70.5	-170.2	-6	0	0	113.6	N549 I550 S554 N555 E556	N549-Q552 PolarHBondContact O-N 3.43Å; I550-Q552 VanDerWaalsContact C-N 3.27Å; I550-Q552 PolarHBondContact O-N 3.49Å; Q552-S554 PolarHBondContact O-N 3.02Å; Q552-N555 PolarHBondContact O-N 3.36Å; Q552-E556 PolarHBondContact O-N 3.08Å
553	L	28.2	Very low	41.6	Very low	117 Å²	117	97.1 Å²	97.1	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-64.6	-39.8	-178.3	-79.9	155.7	0	0	0	112.5	N555 E556 E557	L553-N555 VanDerWaalsContact C-N 3.34Å; L553-N555 PolarHBondContact O-N 3.11Å; L553-E556 PolarHBondContact O-N 3.23Å; L553-E557 PolarHBondContact O-N 2.94Å
554	S	36.6	Very low	43.5	Very low	58 Å²	58	90.8 Å²	90.8	41%	0.406	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-40.2	178.4	57.9	0	0	0	0	112.4	S551 Q552 E556 E557 I558	S551-S554 PolarHBondContact O-OG 3.24Å; Q552-S554 PolarHBondContact O-N 3.02Å; S554-E556 VanDerWaalsContact C-N 3.26Å; S554-E556 PolarHBondContact O-N 3.41Å; S554-E557 PolarHBondContact O-N 3.31Å; S554-I558 VanDerWaalsContact O-CD1 3.25Å; S554-I558 WeakPolarHBondContact O-CD1 3.33Å; S554-I558 WeakPolarHBondContact O-CG1 3.44Å; S554-I558 PolarHBondContact O-N 3.16Å
555	N	41.1	Very low	45.7	Very low	83 Å²	83	85.5 Å²	85.5	44%	0.444	46%	0.46	S	S	.	.	H	α-helix	trans	-66.2	-27.6	-179.8	-75.7	-45.1	0	0	0	113	S551 Q552 L553 C559	S551-N555 PolarHBondContact O-ND2 3.18Å; Q552-N555 PolarHBondContact O-N 3.36Å; L553-N555 VanDerWaalsContact C-N 3.34Å; L553-N555 PolarHBondContact O-N 3.11Å; N555-C559 WeakPolarHBondContact O-CB 3.42Å; N555-C559 PolarHBondContact O-N 3.47Å; N555-C559 VanDerWaalsContact O-N 3.14Å; N555-C559 PolarHBondContact O-SG 3.25Å
556	E	37.8	Very low	47.9	Very low	84 Å²	84	80.3 Å²	80.3	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-70.6	-53	176.6	-67.2	-164.7	156	0	0	111.5	Q552 L553 S554 I558 C559 I560	Q552-E556 PolarHBondContact O-N 3.08Å; L553-E556 PolarHBondContact O-N 3.23Å; S554-E556 VanDerWaalsContact C-N 3.26Å; S554-E556 PolarHBondContact O-N 3.41Å; E556-I558 PolarHBondContact O-N 2.93Å; E556-C559 PolarHBondContact O-N 2.96Å; E556-I560 HydrophobicContact CB-CD1 4.41Å; E556-I560 WeakPolarHBondContact O-CB 3.37Å; E556-I560 WeakPolarHBondContact O-CD1 2.98Å; E556-I560 WeakPolarHBondContact O-CG1 3.46Å; E556-I560 PolarHBondContact O-N 3.37Å
557	E	47.5	Very low	50.2	Low	153 Å²	153	75.3 Å²	75.3	72%	0.715	39%	0.392	S	S	*	.	H	α-helix	trans	-57.4	-38.9	179	-69	-172.2	161.6	0	0	111.7	L553 S554 I560 N561	L553-E557 PolarHBondContact O-N 2.94Å; S554-E557 PolarHBondContact O-N 3.31Å; E557-I560 PolarHBondContact O-N 2.98Å; E557-N561 PolarHBondContact O-N 2.75Å; E557-N561 VanDerWaalsContact O-N 3.07Å
558	I	51.6	Low	52.5	Low	53 Å²	53	67.4 Å²	67.4	27%	0.272	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-50.6	177.4	-66.5	165	0	0	0	111.5	D490 S554 E556 I560 N561 L562	D490-I558 HydrophobicContact CB-CG2 4.06Å; D490-I558 WeakPolarHBondContact OD2-CG2 3.17Å; S554-I558 VanDerWaalsContact O-CD1 3.25Å; S554-I558 WeakPolarHBondContact O-CD1 3.33Å; S554-I558 WeakPolarHBondContact O-CG1 3.44Å; S554-I558 PolarHBondContact O-N 3.16Å; E556-I558 PolarHBondContact O-N 2.93Å; I558-I560 PolarHBondContact O-N 2.91Å; I558-N561 PolarHBondContact O-N 2.72Å; I558-L562 HydrophobicContact CG2-CD1 3.94Å; I558-L562 WeakPolarHBondContact O-CD1 3.28Å; I558-L562 PolarHBondContact O-N 3.46Å
559	C	51.7	Low	54.7	Low	43 Å²	43	61 Å²	61	29%	0.291	33%	0.329	S	S	.	.	H	α-helix	trans	-59.4	-38.9	178	-73.7	0	0	0	0	111.7	N555 E556 N561 L562 D563	N555-C559 WeakPolarHBondContact O-CB 3.42Å; N555-C559 PolarHBondContact O-N 3.47Å; N555-C559 VanDerWaalsContact O-N 3.14Å; N555-C559 PolarHBondContact O-SG 3.25Å; E556-C559 PolarHBondContact O-N 2.96Å; C559-N561 VanDerWaalsContact C-N 3.35Å; C559-N561 PolarHBondContact O-N 2.78Å; C559-L562 PolarHBondContact O-N 3.12Å; C559-D563 PolarHBondContact O-N 2.89Å
560	I	55.1	Low	57.1	Low	55 Å²	55	55.7 Å²	55.7	28%	0.282	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-37.9	-179.7	-66.6	157.6	0	0	0	111.3	E556 E557 I558 S564 K601	E556-I560 HydrophobicContact CB-CD1 4.41Å; E556-I560 WeakPolarHBondContact O-CB 3.37Å; E556-I560 WeakPolarHBondContact O-CD1 2.98Å; E556-I560 WeakPolarHBondContact O-CG1 3.46Å; E556-I560 PolarHBondContact O-N 3.37Å; E557-I560 PolarHBondContact O-N 2.98Å; I558-I560 PolarHBondContact O-N 2.91Å; I560-S564 PolarHBondContact O-N 2.89Å; I560-K601 HydrophobicContact CG1-CD 4.47Å; I560-K601 HydrophobicContact CG2-CD 3.92Å
561	N	67.3	Low	59.4	Low	94 Å²	94	48.5 Å²	48.5	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-68.4	-37.7	179.6	-159.6	-6.7	0	0	0	111.8	E557 I558 C559 S564 L565	E557-N561 PolarHBondContact O-N 2.75Å; E557-N561 VanDerWaalsContact O-N 3.07Å; I558-N561 PolarHBondContact O-N 2.72Å; C559-N561 VanDerWaalsContact C-N 3.35Å; C559-N561 PolarHBondContact O-N 2.78Å; N561-S564 PolarHBondContact O-N 3.43Å; N561-L565 WeakPolarHBondContact O-CD1 3.31Å; N561-L565 WeakPolarHBondContact O-CG 3.48Å; N561-L565 PolarHBondContact O-N 2.94Å
562	L	70.6	Confident	61.6	Low	3 Å²	3	46.7 Å²	46.7	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-43.1	179.4	-72.1	149.7	0	0	0	112.7	F485 R493 L497 I558 C559 S564 L565 L566	F485-L562 HydrophobicContact CE2-CD2 4.27Å; F485-L562 HydrophobicContact CZ-CD2 3.71Å; R493-L562 HydrophobicContact CB-CD2 3.71Å; L497-L562 HydrophobicContact CD1-CD2 4Å; I558-L562 HydrophobicContact CG2-CD1 3.94Å; I558-L562 WeakPolarHBondContact O-CD1 3.28Å; I558-L562 PolarHBondContact O-N 3.46Å; C559-L562 PolarHBondContact O-N 3.12Å; L562-S564 VanDerWaalsContact C-N 3.32Å; L562-S564 PolarHBondContact O-N 3.32Å; L562-L565 PolarHBondContact O-N 3.26Å; L562-L566 WeakPolarHBondContact O-CB 3.38Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 2.85Å
563	D	71.1	Confident	63.8	Low	7 Å²	7	41.8 Å²	41.8	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-41.7	175.1	-82.1	-30.1	0	0	0	112	L527 Q531 C559 L565 L566 I567	L527-D563 WeakPolarHBondContact CB-OD1 3.49Å; L527-D563 WeakPolarHBondContact CD1-OD1 3.48Å; Q531-D563 PolarHBondContact NE2-OD2 3.36Å; C559-D563 PolarHBondContact O-N 2.89Å; D563-L565 VanDerWaalsContact C-N 3.34Å; D563-L565 PolarHBondContact O-N 3.31Å; D563-L566 PolarHBondContact O-N 3.04Å; D563-I567 VanDerWaalsContact O-CG1 3.31Å; D563-I567 WeakPolarHBondContact O-CG1 3.21Å; D563-I567 PolarHBondContact O-N 2.69Å
564	S	75	Confident	66.4	Low	35 Å²	35	36.3 Å²	36.3	25%	0.245	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-41.4	177.4	-172.4	0	0	0	0	111.8	I560 N561 L562 S568	I560-S564 PolarHBondContact O-N 2.89Å; N561-S564 PolarHBondContact O-N 3.43Å; L562-S564 VanDerWaalsContact C-N 3.32Å; L562-S564 PolarHBondContact O-N 3.32Å; S564-S568 WeakPolarHBondContact O-CB 3.14Å; S564-S568 PolarHBondContact O-N 3.27Å
565	L	75.5	Confident	68.5	Low	20 Å²	20	36.6 Å²	36.6	11%	0.105	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-39.9	176.7	-77.2	158.6	0	0	0	112.1	T494 L497 Q498 N561 L562 D563 S568 G569	T494-L565 HydrophobicContact CG2-CD1 3.9Å; L497-L565 HydrophobicContact CB-CB 4.03Å; L497-L565 HydrophobicContact CD1-CB 3.72Å; Q498-L565 HydrophobicContact CG-CD2 4.37Å; N561-L565 WeakPolarHBondContact O-CD1 3.31Å; N561-L565 WeakPolarHBondContact O-CG 3.48Å; N561-L565 PolarHBondContact O-N 2.94Å; L562-L565 PolarHBondContact O-N 3.26Å; D563-L565 VanDerWaalsContact C-N 3.34Å; D563-L565 PolarHBondContact O-N 3.31Å; L565-S568 PolarHBondContact O-N 3.06Å; L565-G569 PolarHBondContact O-N 3.39Å
566	L	77.1	Confident	70.3	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-48.5	175.4	-79.8	165.7	0	0	0	111.4	L497 L520 L527 L562 D563 S568 G569 L570	L497-L566 HydrophobicContact CD1-CD2 4.16Å; L497-L566 HydrophobicContact CD1-CG 3.82Å; L497-L566 HydrophobicContact CD2-CD2 3.4Å; L497-L566 VanDerWaalsContact CD2-CD2 3.4Å; L497-L566 HydrophobicContact CD2-CG 3.99Å; L497-L566 HydrophobicContact CG-CD2 4.43Å; L520-L566 HydrophobicContact CD2-CD2 3.57Å; L527-L566 HydrophobicContact CD1-CD1 3.2Å; L562-L566 WeakPolarHBondContact O-CB 3.38Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 2.85Å; D563-L566 PolarHBondContact O-N 3.04Å; L566-S568 VanDerWaalsContact C-N 3.34Å; L566-G569 PolarHBondContact O-N 3.01Å; L566-L570 WeakPolarHBondContact O-CG 3.3Å; L566-L570 PolarHBondContact O-N 2.98Å
567	I	79.9	Confident	72.5	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-39.8	178.7	-65.3	164.3	0	0	0	110.7	D563 L570 A571 T602 C605 L606	D563-I567 VanDerWaalsContact O-CG1 3.31Å; D563-I567 WeakPolarHBondContact O-CG1 3.21Å; D563-I567 PolarHBondContact O-N 2.69Å; I567-L570 PolarHBondContact O-N 3.17Å; I567-A571 WeakPolarHBondContact O-CB 3.24Å; I567-A571 PolarHBondContact O-N 3.28Å; I567-T602 HydrophobicContact CD1-CG2 3.79Å; I567-C605 HydrophobicContact CB-CB 4.49Å; I567-C605 HydrophobicContact CD1-CB 3.89Å; I567-C605 HydrophobicContact CG2-CB 4.26Å; I567-L606 HydrophobicContact CG2-CD2 3.85Å; I567-L606 HydrophobicContact CG2-CG 4.35Å
568	S	77.5	Confident	74.1	Confident	11 Å²	11	26.4 Å²	26.4	8%	0.077	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-46.2	173.5	-178.7	0	0	0	0	111.7	Q501 S564 L565 L566 L570 A571 H572 H609	Q501-S568 PolarHBondContact NE2-OG 3.28Å; Q501-S568 VanDerWaalsContact NE2-OG 3.12Å; S564-S568 WeakPolarHBondContact O-CB 3.14Å; S564-S568 PolarHBondContact O-N 3.27Å; L565-S568 PolarHBondContact O-N 3.06Å; L566-S568 VanDerWaalsContact C-N 3.34Å; S568-L570 PolarHBondContact O-N 3.26Å; S568-A571 PolarHBondContact O-N 3.39Å; S568-H572 PolarHBondContact O-N 2.96Å; S568-H609 PolarHBondContact OG-NE2 3.12Å
569	G	77.2	Confident	75.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-40.7	176.1	0	0	0	0	0	113.1	L565 L566 L573	L565-G569 PolarHBondContact O-N 3.39Å; L566-G569 PolarHBondContact O-N 3.01Å; G569-L573 WeakPolarHBondContact O-CB 3.46Å; G569-L573 PolarHBondContact O-N 2.92Å
570	L	80	Confident	76.9	Confident	13 Å²	13	30.4 Å²	30.4	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-41.7	174.1	-72.8	173.7	0	0	0	112.2	M517 L520 L566 I567 S568 L573 I574 I593	M517-L570 HydrophobicContact CE-CD2 3.87Å; M517-L570 HydrophobicContact SD-CD2 3.63Å; L520-L570 HydrophobicContact CB-CD2 4.13Å; L520-L570 HydrophobicContact CD1-CD2 3.92Å; L566-L570 WeakPolarHBondContact O-CG 3.3Å; L566-L570 PolarHBondContact O-N 2.98Å; I567-L570 PolarHBondContact O-N 3.17Å; S568-L570 PolarHBondContact O-N 3.26Å; L570-L573 WeakPolarHBondContact O-CB 3.45Å; L570-L573 PolarHBondContact O-N 3.36Å; L570-I574 WeakPolarHBondContact O-CD1 3.44Å; L570-I574 WeakPolarHBondContact O-CG1 3.32Å; L570-I574 PolarHBondContact O-N 3.48Å; L570-I593 HydrophobicContact CD1-CD1 4.11Å
571	A	81.8	Confident	78.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-44.1	177.8	0	0	0	0	0	111.7	I567 S568 L573 I574 E575 H609 S612 F613	I567-A571 WeakPolarHBondContact O-CB 3.24Å; I567-A571 PolarHBondContact O-N 3.28Å; S568-A571 PolarHBondContact O-N 3.39Å; A571-L573 VanDerWaalsContact C-N 3.33Å; A571-L573 PolarHBondContact O-N 3.11Å; A571-I574 PolarHBondContact O-N 2.99Å; A571-E575 PolarHBondContact O-N 2.82Å; A571-H609 HydrophobicContact CB-CB 3.45Å; A571-H609 VanDerWaalsContact CB-CB 3.45Å; A571-S612 WeakPolarHBondContact O-CB 3.32Å; A571-F613 HydrophobicContact CB-CE1 3.91Å; A571-F613 HydrophobicContact CB-CZ 4.15Å
572	H	79.7	Confident	79	Confident	40 Å²	40	24.1 Å²	24.1	19%	0.185	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-40.2	175.2	-175.6	60.5	0	0	0	111.9	Q501 S568 I574 E575 V576	Q501-H572 PolarHBondContact O-CD2 2.91Å; Q501-H572 PolarHBondContact O-NE2 3.21Å; S568-H572 PolarHBondContact O-N 2.96Å; H572-I574 VanDerWaalsContact C-N 3.31Å; H572-I574 PolarHBondContact O-N 2.88Å; H572-E575 WeakPolarHBondContact O-CB 3.37Å; H572-E575 PolarHBondContact O-N 3.16Å; H572-E575 VanDerWaalsContact O-N 3.17Å; H572-V576 VanDerWaalsContact O-CG2 3.31Å; H572-V576 WeakPolarHBondContact O-CG2 3.49Å; H572-V576 PolarHBondContact O-N 2.86Å; H572-V576 VanDerWaalsContact O-N 3.14Å
573	L	78.9	Confident	79.6	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-43.3	173.9	-175.8	158.1	0	0	0	111.6	L512 Y513 M517 G569 L570 A571 E575 V576 C577 I586	L512-L573 HydrophobicContact CD1-CD1 3.54Å; L512-L573 HydrophobicContact CD1-CG 4.37Å; L512-L573 HydrophobicContact CD2-CD1 4.31Å; L512-L573 HydrophobicContact CD2-CG 4.37Å; L512-L573 HydrophobicContact CG-CD1 3.99Å; Y513-L573 HydrophobicContact CE1-CD2 4.21Å; M517-L573 HydrophobicContact SD-CD1 4.24Å; M517-L573 HydrophobicContact SD-CD2 4.49Å; G569-L573 WeakPolarHBondContact O-CB 3.46Å; G569-L573 PolarHBondContact O-N 2.92Å; L570-L573 WeakPolarHBondContact O-CB 3.45Å; L570-L573 PolarHBondContact O-N 3.36Å; A571-L573 VanDerWaalsContact C-N 3.33Å; A571-L573 PolarHBondContact O-N 3.11Å; L573-E575 VanDerWaalsContact C-N 3.34Å; L573-V576 PolarHBondContact O-N 3.11Å; L573-C577 WeakPolarHBondContact O-CB 3.06Å; L573-C577 PolarHBondContact O-N 2.9Å; L573-I586 HydrophobicContact CD2-CD1 3.4Å; L573-I586 HydrophobicContact CD2-CG1 4.25Å
574	I	80.8	Confident	80	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-38.1	176.3	-69.4	158.7	0	0	0	111.3	L570 A571 H572 V576 C577 Y582 I586 L590 F613 Q616 V617	L570-I574 WeakPolarHBondContact O-CD1 3.44Å; L570-I574 WeakPolarHBondContact O-CG1 3.32Å; L570-I574 PolarHBondContact O-N 3.48Å; A571-I574 PolarHBondContact O-N 2.99Å; H572-I574 VanDerWaalsContact C-N 3.31Å; H572-I574 PolarHBondContact O-N 2.88Å; I574-V576 VanDerWaalsContact C-N 3.28Å; I574-V576 PolarHBondContact O-N 3.32Å; I574-C577 PolarHBondContact O-SG 2.99Å; I574-Y582 HydrophobicContact CG2-CD2 4.46Å; I574-I586 HydrophobicContact CD1-CG2 4.21Å; I574-I586 HydrophobicContact CG1-CD1 4.42Å; I574-I586 HydrophobicContact CG1-CG2 3.91Å; I574-L590 HydrophobicContact CD1-CD1 3.85Å; I574-L590 HydrophobicContact CD1-CD2 3.83Å; I574-L590 HydrophobicContact CD1-CG 4.4Å; I574-F613 HydrophobicContact CD1-CD1 3.88Å; I574-F613 HydrophobicContact CD1-CE1 3.67Å; I574-F613 HydrophobicContact CG2-CD1 4.22Å; I574-Q616 HydrophobicContact CG2-CB 4.25Å; I574-Q616 WeakPolarHBondContact O-CG 2.85Å; I574-V617 HydrophobicContact CG2-CG2 4.5Å
575	E	81.5	Confident	80.2	Confident	65 Å²	65	34.9 Å²	34.9	30%	0.304	19%	0.191	S	C	.	.	H	α-helix	trans	-62.8	-35.8	178.7	-168.9	171.1	168.5	0	0	113	A571 H572 L573 S612	A571-E575 PolarHBondContact O-N 2.82Å; H572-E575 WeakPolarHBondContact O-CB 3.37Å; H572-E575 PolarHBondContact O-N 3.16Å; H572-E575 VanDerWaalsContact O-N 3.17Å; L573-E575 VanDerWaalsContact C-N 3.34Å; E575-S612 PolarHBondContact OE2-OG 3.09Å
576	V	80	Confident	80.5	Confident	53 Å²	53	34 Å²	34	32%	0.321	19%	0.186	S	C	.	.	H	α-helix	trans	-90.2	-27.1	-174.8	175.1	0	0	0	0	112.4	E505 H572 L573 I574	E505-V576 HydrophobicContact CB-CG1 3.86Å; E505-V576 HydrophobicContact CG-CB 4.37Å; E505-V576 HydrophobicContact CG-CG1 3.61Å; E505-V576 HydrophobicContact CG-CG2 3.8Å; E505-V576 WeakPolarHBondContact OE1-CG2 3.45Å; H572-V576 VanDerWaalsContact O-CG2 3.31Å; H572-V576 WeakPolarHBondContact O-CG2 3.49Å; H572-V576 PolarHBondContact O-N 2.86Å; H572-V576 VanDerWaalsContact O-N 3.14Å; L573-V576 PolarHBondContact O-N 3.11Å; I574-V576 VanDerWaalsContact C-N 3.28Å; I574-V576 PolarHBondContact O-N 3.32Å
577	C	82.1	Confident	80.9	Confident	7 Å²	7	36.5 Å²	36.5	5%	0.047	20%	0.198	C	C	.	.	S	Bend	trans	-62.6	156.3	-174.4	74.1	0	0	0	0	112.7	Y513 L573 I574 I586 Q616	Y513-C577 WeakPolarHBondContact OH-CB 3.17Å; L573-C577 WeakPolarHBondContact O-CB 3.06Å; L573-C577 PolarHBondContact O-N 2.9Å; I574-C577 PolarHBondContact O-SG 2.99Å; C577-I586 HydrophobicContact CB-CD1 3.95Å; C577-Q616 PolarHBondContact O-NE2 3.21Å
578	S	82.3	Confident	81.1	Confident	45 Å²	45	44.6 Å²	44.6	32%	0.315	23%	0.233	S	C	.	.			trans	-80.2	155.6	170.6	72.3	0	0	0	0	110.7	I580 D581 Y582	S578-I580 PolarHBondContact O-N 3.37Å; S578-D581 PolarHBondContact O-N 3Å; S578-D581 PolarHBondContact OG-N 3.1Å; S578-D581 PolarHBondContact OG-OD2 2.85Å; S578-Y582 PolarHBondContact O-N 3.18Å
579	S	79.9	Confident	81.2	Confident	72 Å²	72	46.1 Å²	46.1	50%	0.503	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-36.2	178.4	53.4	0	0	0	0	113.1	Y582 T583	S579-Y582 PolarHBondContact O-N 3.34Å; S579-T583 WeakPolarHBondContact O-CG2 3.41Å; S579-T583 PolarHBondContact O-N 3.13Å; S579-T583 VanDerWaalsContact O-N 3.14Å; S579-T583 PolarHBondContact O-OG1 2.9Å
580	I	81.6	Confident	81.5	Confident	109 Å²	109	46.4 Å²	46.4	56%	0.559	24%	0.242	S	C	*	.	H	α-helix	trans	-65.1	-48.4	175.1	-61.5	163.2	0	0	0	109.9	S578 Y582 T583 D584	S578-I580 PolarHBondContact O-N 3.37Å; I580-Y582 VanDerWaalsContact C-N 3.27Å; I580-Y582 PolarHBondContact O-N 3.39Å; I580-T583 PolarHBondContact O-N 2.88Å; I580-T583 PolarHBondContact O-OG1 2.83Å; I580-D584 WeakPolarHBondContact O-CB 3.49Å; I580-D584 PolarHBondContact O-N 3.32Å
581	D	82.5	Confident	81.7	Confident	14 Å²	14	47.4 Å²	47.4	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-34.5	179.8	-59.4	-40.9	0	0	0	111.8	K509 Y513 S578 Y585	K509-D581 VanDerWaalsContact CE-OD2 3.25Å; K509-D581 WeakPolarHBondContact CE-OD2 3.2Å; K509-D581 IonicContact NZ-OD1 3.5Å; K509-D581 PolarHBondContact NZ-OD1 3.21Å; K509-D581 IonicContact NZ-OD2 3.48Å; K509-D581 PolarHBondContact NZ-OD2 3.11Å; Y513-D581 HydrophobicContact CE2-CB 3.82Å; Y513-D581 WeakPolarHBondContact OH-CB 3.26Å; S578-D581 PolarHBondContact O-N 3Å; S578-D581 PolarHBondContact OG-N 3.1Å; S578-D581 PolarHBondContact OG-OD2 2.85Å; D581-Y585 HydrophobicContact CB-CD2 4.29Å; D581-Y585 WeakPolarHBondContact O-CB 3.15Å; D581-Y585 WeakPolarHBondContact O-CD2 3.39Å; D581-Y585 PolarHBondContact O-N 2.78Å
582	Y	84.1	Confident	81.7	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.008	25%	0.253	C	S	.	.	I	π-helix	trans	-59.6	-53.6	174.8	174.2	-94.8	0	0	0	111.5	I574 S578 S579 I580 D584 I586 E587 L590 Q616 V617	I574-Y582 HydrophobicContact CG2-CD2 4.46Å; S578-Y582 PolarHBondContact O-N 3.18Å; S579-Y582 PolarHBondContact O-N 3.34Å; I580-Y582 VanDerWaalsContact C-N 3.27Å; I580-Y582 PolarHBondContact O-N 3.39Å; Y582-D584 PolarHBondContact O-N 2.71Å; Y582-I586 HydrophobicContact CD2-CB 4Å; Y582-I586 HydrophobicContact CD2-CD1 4.46Å; Y582-I586 HydrophobicContact CD2-CG2 4.08Å; Y582-I586 HydrophobicContact CE2-CB 4.45Å; Y582-I586 HydrophobicContact CE2-CG2 4.18Å; Y582-I586 WeakPolarHBondContact O-CA 3.16Å; Y582-I586 PolarHBondContact O-N 2.82Å; Y582-E587 HydrophobicContact CD1-CB 4.33Å; Y582-E587 HydrophobicContact CE1-CB 3.8Å; Y582-E587 HydrophobicContact CE1-CG 3.95Å; Y582-E587 PolarHBondContact O-N 3.26Å; Y582-L590 HydrophobicContact CE2-CD2 3.86Å; Y582-Q616 HydrophobicContact CD2-CB 4.29Å; Y582-Q616 HydrophobicContact CG-CB 4.33Å; Y582-V617 HydrophobicContact CE2-CG2 3.9Å
583	T	82.3	Confident	81.7	Confident	77 Å²	77	47 Å²	47	47%	0.472	25%	0.246	S	C	.	.	I	π-helix	trans	-64.1	-39.8	-178.9	53.5	0	0	0	0	112.6	S579 I580	S579-T583 WeakPolarHBondContact O-CG2 3.41Å; S579-T583 PolarHBondContact O-N 3.13Å; S579-T583 VanDerWaalsContact O-N 3.14Å; S579-T583 PolarHBondContact O-OG1 2.9Å; I580-T583 PolarHBondContact O-N 2.88Å; I580-T583 PolarHBondContact O-OG1 2.83Å
584	D	80.6	Confident	81.8	Confident	107 Å²	107	47.6 Å²	47.6	57%	0.572	25%	0.248	S	C	*	.	I	π-helix	trans	-75.4	-37	-176.8	-76.9	-15.8	0	0	0	113.4	I580 Y582	I580-D584 WeakPolarHBondContact O-CB 3.49Å; I580-D584 PolarHBondContact O-N 3.32Å; Y582-D584 PolarHBondContact O-N 2.71Å
585	Y	78	Confident	81.8	Confident	88 Å²	88	53.4 Å²	53.4	35%	0.345	28%	0.275	S	S	.	.	I	π-helix	trans	-122.3	-26.1	-167.3	-57.1	-73.1	0	0	0	115.6	T23 Y513 D581	T23-Y585 WeakPolarHBondContact CG2-OH 3.41Å; Y513-Y585 HydrophobicContact CD1-CD2 4.31Å; Y513-Y585 HydrophobicContact CD1-CG 4.14Å; Y513-Y585 AromaticContact CD2-CD2 3.97Å; Y513-Y585 HydrophobicContact CD2-CD2 3.97Å; Y513-Y585 HydrophobicContact CD2-CE2 4.3Å; Y513-Y585 HydrophobicContact CD2-CG 4.4Å; Y513-Y585 HydrophobicContact CE2-CD2 4.4Å; Y513-Y585 HydrophobicContact CG-CD1 4.47Å; Y513-Y585 AromaticContact CG-CD2 3.92Å; Y513-Y585 HydrophobicContact CG-CD2 3.92Å; Y513-Y585 AromaticContact CG-CG 3.89Å; Y513-Y585 HydrophobicContact CG-CG 3.89Å; D581-Y585 HydrophobicContact CB-CD2 4.29Å; D581-Y585 WeakPolarHBondContact O-CB 3.15Å; D581-Y585 WeakPolarHBondContact O-CD2 3.39Å; D581-Y585 PolarHBondContact O-N 2.78Å
586	I	82.8	Confident	81.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	I	π-helix	trans	-109.7	-42.5	-166	-55.4	174.8	0	0	0	112.3	Y513 M517 L573 I574 C577 Y582 K588 D589 L590	Y513-I586 HydrophobicContact CE1-CD1 3.97Å; Y513-I586 HydrophobicContact CE1-CG1 4.09Å; M517-I586 HydrophobicContact CE-CG2 4.02Å; L573-I586 HydrophobicContact CD2-CD1 3.4Å; L573-I586 HydrophobicContact CD2-CG1 4.25Å; I574-I586 HydrophobicContact CD1-CG2 4.21Å; I574-I586 HydrophobicContact CG1-CD1 4.42Å; I574-I586 HydrophobicContact CG1-CG2 3.91Å; C577-I586 HydrophobicContact CB-CD1 3.95Å; Y582-I586 HydrophobicContact CD2-CB 4Å; Y582-I586 HydrophobicContact CD2-CD1 4.46Å; Y582-I586 HydrophobicContact CD2-CG2 4.08Å; Y582-I586 HydrophobicContact CE2-CB 4.45Å; Y582-I586 HydrophobicContact CE2-CG2 4.18Å; Y582-I586 WeakPolarHBondContact O-CA 3.16Å; Y582-I586 PolarHBondContact O-N 2.82Å; I586-K588 PolarHBondContact O-N 3.38Å; I586-D589 PolarHBondContact O-N 2.69Å; I586-D589 VanDerWaalsContact O-N 3.09Å; I586-L590 HydrophobicContact CG2-CB 4.25Å; I586-L590 WeakPolarHBondContact O-CB 3.4Å; I586-L590 PolarHBondContact O-N 3.45Å
587	E	84.8	Confident	81.2	Confident	55 Å²	55	53.5 Å²	53.5	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-50.6	-51.6	-167.9	-176.5	179.7	168	0	0	112.9	Y582 D589 L590 I591	Y582-E587 HydrophobicContact CD1-CB 4.33Å; Y582-E587 HydrophobicContact CE1-CB 3.8Å; Y582-E587 HydrophobicContact CE1-CG 3.95Å; Y582-E587 PolarHBondContact O-N 3.26Å; E587-D589 VanDerWaalsContact C-N 3.34Å; E587-D589 PolarHBondContact O-N 2.88Å; E587-L590 PolarHBondContact O-N 2.81Å; E587-I591 HydrophobicContact CG-CD1 3.87Å; E587-I591 VanDerWaalsContact O-CG1 3.31Å; E587-I591 WeakPolarHBondContact O-CG1 3.48Å; E587-I591 PolarHBondContact O-N 2.65Å
588	K	83.9	Confident	80.7	Confident	173 Å²	173	57.2 Å²	57.2	75%	0.752	30%	0.298	S	S	*	.	H	α-helix	trans	-60.1	-42.6	-178.1	-176.9	179.4	178.8	179.4	0	112.9	I586 N592	I586-K588 PolarHBondContact O-N 3.38Å; K588-N592 PolarHBondContact O-N 2.88Å
589	D	80.1	Confident	80.3	Confident	44 Å²	44	56.9 Å²	56.9	24%	0.235	29%	0.292	C	S	.	.	H	α-helix	trans	-75.9	-35.8	-178.1	-74.2	-51.6	0	0	0	111.5	I521 R525 I586 E587 N592 I593	I521-D589 HydrophobicContact CD1-CB 3.44Å; I521-D589 VanDerWaalsContact CD1-CB 3.44Å; I521-D589 VanDerWaalsContact CD1-OD2 3.25Å; I521-D589 WeakPolarHBondContact CD1-OD2 3.46Å; I521-D589 HydrophobicContact CG1-CB 4.04Å; R525-D589 IonicContact NH2-OD1 2.79Å; I586-D589 PolarHBondContact O-N 2.69Å; I586-D589 VanDerWaalsContact O-N 3.09Å; E587-D589 VanDerWaalsContact C-N 3.34Å; E587-D589 PolarHBondContact O-N 2.88Å; D589-N592 PolarHBondContact O-N 3.49Å; D589-I593 WeakPolarHBondContact O-CG1 3.4Å; D589-I593 PolarHBondContact O-N 3.27Å
590	L	83.6	Confident	80.3	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-44.7	174.6	-177.2	64.4	0	0	0	111.9	I574 Y582 I586 E587 N592 I593 F594 F613 V617	I574-L590 HydrophobicContact CD1-CD1 3.85Å; I574-L590 HydrophobicContact CD1-CD2 3.83Å; I574-L590 HydrophobicContact CD1-CG 4.4Å; Y582-L590 HydrophobicContact CE2-CD2 3.86Å; I586-L590 HydrophobicContact CG2-CB 4.25Å; I586-L590 WeakPolarHBondContact O-CB 3.4Å; I586-L590 PolarHBondContact O-N 3.45Å; E587-L590 PolarHBondContact O-N 2.81Å; L590-N592 VanDerWaalsContact C-N 3.29Å; L590-N592 PolarHBondContact O-N 3.48Å; L590-I593 WeakPolarHBondContact O-CB 3.29Å; L590-I593 PolarHBondContact O-N 3.32Å; L590-I593 VanDerWaalsContact O-N 3.1Å; L590-F594 HydrophobicContact CD1-CD2 4.3Å; L590-F594 HydrophobicContact CD1-CE2 3.72Å; L590-F594 HydrophobicContact CD1-CZ 4.1Å; L590-F594 HydrophobicContact CD2-CE2 3.92Å; L590-F594 HydrophobicContact CG-CD2 3.97Å; L590-F594 HydrophobicContact CG-CE2 3.51Å; L590-F594 HydrophobicContact CG-CZ 4.34Å; L590-F594 VanDerWaalsContact O-CD2 3.27Å; L590-F594 WeakPolarHBondContact O-CD2 3.3Å; L590-F594 PolarHBondContact O-N 3.11Å; L590-F613 HydrophobicContact CD1-CE1 4.49Å; L590-V617 HydrophobicContact CD2-CG2 3.93Å
591	I	84.2	Confident	80.1	Confident	34 Å²	34	56.4 Å²	56.4	17%	0.174	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-45.8	174.1	-70.1	167.3	0	0	0	110.2	E587 I593 F594 E595 V621 Y625	E587-I591 HydrophobicContact CG-CD1 3.87Å; E587-I591 VanDerWaalsContact O-CG1 3.31Å; E587-I591 WeakPolarHBondContact O-CG1 3.48Å; E587-I591 PolarHBondContact O-N 2.65Å; I591-I593 VanDerWaalsContact C-N 3.27Å; I591-I593 PolarHBondContact O-N 3.01Å; I591-F594 PolarHBondContact O-N 2.97Å; I591-F594 VanDerWaalsContact O-N 3.14Å; I591-E595 HydrophobicContact CG2-CG 4.42Å; I591-E595 WeakPolarHBondContact O-CG 3.48Å; I591-E595 PolarHBondContact O-N 2.95Å; I591-V621 HydrophobicContact CD1-CG2 4.38Å; I591-V621 HydrophobicContact CG1-CG1 4.43Å; I591-Y625 HydrophobicContact CG1-CE2 4.41Å; I591-Y625 HydrophobicContact CG2-CE1 4.43Å; I591-Y625 HydrophobicContact CG2-CE2 4.1Å
592	N	81.1	Confident	79.8	Confident	26 Å²	26	56 Å²	56	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-29.9	177.7	168.7	85.6	0	0	0	113	R525 K588 D589 L590 K596	R525-N592 PolarHBondContact NH2-ND2 3.46Å; R525-N592 VanDerWaalsContact NH2-ND2 3.2Å; K588-N592 PolarHBondContact O-N 2.88Å; D589-N592 PolarHBondContact O-N 3.49Å; L590-N592 VanDerWaalsContact C-N 3.29Å; L590-N592 PolarHBondContact O-N 3.48Å; N592-K596 WeakPolarHBondContact O-CB 3.47Å; N592-K596 WeakPolarHBondContact O-CG 3.38Å; N592-K596 PolarHBondContact O-N 2.89Å; N592-K596 WeakPolarHBondContact OD1-CD 3.4Å; N592-K596 WeakPolarHBondContact OD1-CE 3.19Å; N592-K596 PolarHBondContact OD1-NZ 3.49Å
593	I	79.9	Confident	79.8	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-48.1	171.6	-70.2	166.3	0	0	0	109.9	L570 D589 L590 I591 E595 K596 S597 L606	L570-I593 HydrophobicContact CD1-CD1 4.11Å; D589-I593 WeakPolarHBondContact O-CG1 3.4Å; D589-I593 PolarHBondContact O-N 3.27Å; L590-I593 WeakPolarHBondContact O-CB 3.29Å; L590-I593 PolarHBondContact O-N 3.32Å; L590-I593 VanDerWaalsContact O-N 3.1Å; I591-I593 VanDerWaalsContact C-N 3.27Å; I591-I593 PolarHBondContact O-N 3.01Å; I593-E595 PolarHBondContact O-N 3.36Å; I593-K596 PolarHBondContact O-N 3.23Å; I593-S597 VanDerWaalsContact O-CB 3.29Å; I593-S597 WeakPolarHBondContact O-CB 3.46Å; I593-S597 PolarHBondContact O-N 3.07Å; I593-S597 PolarHBondContact O-OG 3.08Å; I593-L606 HydrophobicContact CG2-CD2 4.44Å
594	F	82.5	Confident	79.8	Confident	14 Å²	14	54.5 Å²	54.5	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-45.4	177.8	-73.2	-57.5	0	0	0	112.3	L590 I591 K596 S597 L606 F613 Y625 I626	L590-F594 HydrophobicContact CD1-CD2 4.3Å; L590-F594 HydrophobicContact CD1-CE2 3.72Å; L590-F594 HydrophobicContact CD1-CZ 4.1Å; L590-F594 HydrophobicContact CD2-CE2 3.92Å; L590-F594 HydrophobicContact CG-CD2 3.97Å; L590-F594 HydrophobicContact CG-CE2 3.51Å; L590-F594 HydrophobicContact CG-CZ 4.34Å; L590-F594 VanDerWaalsContact O-CD2 3.27Å; L590-F594 WeakPolarHBondContact O-CD2 3.3Å; L590-F594 PolarHBondContact O-N 3.11Å; I591-F594 PolarHBondContact O-N 2.97Å; I591-F594 VanDerWaalsContact O-N 3.14Å; F594-K596 PolarHBondContact O-N 3.45Å; F594-S597 PolarHBondContact O-OG 3.39Å; F594-L606 HydrophobicContact CD1-CD1 3.97Å; F594-L606 HydrophobicContact CE1-CB 4.35Å; F594-L606 HydrophobicContact CE1-CD1 4.08Å; F594-L606 HydrophobicContact CE1-CD2 4.05Å; F594-L606 HydrophobicContact CE1-CG 4.4Å; F594-F613 HydrophobicContact CE1-CE2 4.47Å; F594-F613 HydrophobicContact CZ-CD2 4.21Å; F594-F613 HydrophobicContact CZ-CE2 4.14Å; F594-Y625 HydrophobicContact CB-CD1 3.96Å; F594-Y625 HydrophobicContact CB-CG 4.09Å; F594-I626 HydrophobicContact CE1-CG1 4.28Å; F594-I626 HydrophobicContact CE2-CG1 4.42Å; F594-I626 HydrophobicContact CZ-CD1 4.26Å; F594-I626 HydrophobicContact CZ-CG1 3.94Å
595	E	80.5	Confident	79.9	Confident	124 Å²	124	49.8 Å²	49.8	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-63.8	-37.7	179.7	-73.8	-177.3	160.1	0	0	113.8	I591 I593 Y625	I591-E595 HydrophobicContact CG2-CG 4.42Å; I591-E595 WeakPolarHBondContact O-CG 3.48Å; I591-E595 PolarHBondContact O-N 2.95Å; I593-E595 PolarHBondContact O-N 3.36Å; E595-Y625 HydrophobicContact CG-CD1 4.47Å; E595-Y625 HydrophobicContact CG-CE1 3.67Å; E595-Y625 PolarHBondContact OE1-OH 2.93Å
596	K	74.4	Confident	80.2	Confident	114 Å²	114	45.8 Å²	45.8	50%	0.496	23%	0.225	S	C	.	.	H	α-helix	trans	-92	-14.3	-174	-70.9	179.4	175.7	163.6	0	114.3	N592 I593 F594 S598	N592-K596 WeakPolarHBondContact O-CB 3.47Å; N592-K596 WeakPolarHBondContact O-CG 3.38Å; N592-K596 PolarHBondContact O-N 2.89Å; N592-K596 WeakPolarHBondContact OD1-CD 3.4Å; N592-K596 WeakPolarHBondContact OD1-CE 3.19Å; N592-K596 PolarHBondContact OD1-NZ 3.49Å; I593-K596 PolarHBondContact O-N 3.23Å; F594-K596 PolarHBondContact O-N 3.45Å; K596-S598 VanDerWaalsContact C-N 3.31Å; K596-S598 PolarHBondContact O-N 3.2Å
597	S	74.5	Confident	80.3	Confident	7 Å²	7	45.9 Å²	45.9	5%	0.049	23%	0.225	C	C	.	.			trans	-63.6	84.6	179.7	66.6	0	0	0	0	112.5	E528 I593 F594 K603	E528-S597 WeakPolarHBondContact OE1-CA 3.43Å; I593-S597 VanDerWaalsContact O-CB 3.29Å; I593-S597 WeakPolarHBondContact O-CB 3.46Å; I593-S597 PolarHBondContact O-N 3.07Å; I593-S597 PolarHBondContact O-OG 3.08Å; F594-S597 PolarHBondContact O-OG 3.39Å; S597-K603 WeakPolarHBondContact O-CE 3.2Å
598	S	71.6	Confident	80.4	Confident	85 Å²	85	48.8 Å²	48.8	59%	0.594	23%	0.234	S	C	*	.			trans	-83.2	-31.3	178	58.3	0	0	0	0	112	K596 L600	K596-S598 VanDerWaalsContact C-N 3.31Å; K596-S598 PolarHBondContact O-N 3.2Å; S598-L600 PolarHBondContact O-N 3.49Å
599	N	74.2	Confident	80.4	Confident	38 Å²	38	42.1 Å²	42.1	20%	0.203	21%	0.205	C	C	.	.	S	Bend	trans	-72.7	124.7	-176.4	-175.1	-11.3	0	0	0	112	Q531 K601 T602 K603	Q531-N599 PolarHBondContact OE1-ND2 3.29Å; N599-K601 PolarHBondContact O-N 3.38Å; N599-K601 PolarHBondContact OD1-N 3.5Å; N599-T602 WeakPolarHBondContact O-CB 3.5Å; N599-T602 PolarHBondContact O-N 2.92Å; N599-T602 VanDerWaalsContact O-N 3.11Å; N599-K603 WeakPolarHBondContact O-CG 3.44Å; N599-K603 PolarHBondContact O-N 3.48Å; N599-K603 VanDerWaalsContact O-N 3.09Å
600	L	79.7	Confident	80.7	Confident	60 Å²	60	40 Å²	40	31%	0.314	19%	0.194	S	C	.	.	H	α-helix	trans	-53.6	-36.7	176	-175.1	62.4	0	0	0	112.9	S598 K603 I604 N638	S598-L600 PolarHBondContact O-N 3.49Å; L600-K603 WeakPolarHBondContact O-CB 3.26Å; L600-K603 PolarHBondContact O-N 3.28Å; L600-I604 HydrophobicContact CG-CD1 4.22Å; L600-I604 VanDerWaalsContact O-CG1 3.23Å; L600-I604 WeakPolarHBondContact O-CG1 3.44Å; L600-I604 PolarHBondContact O-N 2.94Å; L600-N638 HydrophobicContact CD2-CB 3.91Å
601	K	76.2	Confident	80.8	Confident	111 Å²	111	48.2 Å²	48.2	48%	0.483	22%	0.224	S	C	.	.	H	α-helix	trans	-65.7	-42.3	177.9	-69.4	-177.3	-178.4	175.6	0	112.4	I560 N599 K603 I604 C605	I560-K601 HydrophobicContact CG1-CD 4.47Å; I560-K601 HydrophobicContact CG2-CD 3.92Å; N599-K601 PolarHBondContact O-N 3.38Å; N599-K601 PolarHBondContact OD1-N 3.5Å; K601-K603 VanDerWaalsContact C-N 3.3Å; K601-K603 PolarHBondContact O-N 3.03Å; K601-I604 PolarHBondContact O-N 2.93Å; K601-C605 PolarHBondContact O-N 3.35Å
602	T	76.9	Confident	80.7	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-45.9	172.1	-55.6	0	0	0	0	110	I567 N599 I604 C605 L606	I567-T602 HydrophobicContact CD1-CG2 3.79Å; N599-T602 WeakPolarHBondContact O-CB 3.5Å; N599-T602 PolarHBondContact O-N 2.92Å; N599-T602 VanDerWaalsContact O-N 3.11Å; T602-I604 PolarHBondContact O-N 3.05Å; T602-C605 PolarHBondContact O-N 2.75Å; T602-L606 HydrophobicContact CG2-CD1 4.06Å; T602-L606 HydrophobicContact CG2-CG 4.45Å; T602-L606 WeakPolarHBondContact O-CG 3.47Å; T602-L606 PolarHBondContact O-N 3.13Å
603	K	83.3	Confident	80.8	Confident	37 Å²	37	46 Å²	46	16%	0.161	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-45.3	176.6	-57.8	-176	179.7	-178	0	112.2	S597 N599 L600 K601 C605 L606 V607 L629	S597-K603 WeakPolarHBondContact O-CE 3.2Å; N599-K603 WeakPolarHBondContact O-CG 3.44Å; N599-K603 PolarHBondContact O-N 3.48Å; N599-K603 VanDerWaalsContact O-N 3.09Å; L600-K603 WeakPolarHBondContact O-CB 3.26Å; L600-K603 PolarHBondContact O-N 3.28Å; K601-K603 VanDerWaalsContact C-N 3.3Å; K601-K603 PolarHBondContact O-N 3.03Å; K603-C605 VanDerWaalsContact C-N 3.33Å; K603-C605 PolarHBondContact O-N 3.22Å; K603-L606 PolarHBondContact O-N 2.94Å; K603-V607 WeakPolarHBondContact O-CG2 3.42Å; K603-V607 PolarHBondContact O-N 3.43Å; K603-L629 HydrophobicContact CB-CD1 3.79Å; K603-L629 HydrophobicContact CB-CG 4.21Å; K603-L629 HydrophobicContact CD-CD1 4.03Å; K603-L629 HydrophobicContact CG-CD1 3.6Å
604	I	83.6	Confident	80.9	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.062	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-45.3	176.1	-64.8	166.6	0	0	0	110.6	L600 K601 T602 V607 R608 T640 A641 V644	L600-I604 HydrophobicContact CG-CD1 4.22Å; L600-I604 VanDerWaalsContact O-CG1 3.23Å; L600-I604 WeakPolarHBondContact O-CG1 3.44Å; L600-I604 PolarHBondContact O-N 2.94Å; K601-I604 PolarHBondContact O-N 2.93Å; T602-I604 PolarHBondContact O-N 3.05Å; I604-V607 PolarHBondContact O-N 3.17Å; I604-R608 WeakPolarHBondContact O-CB 3.5Å; I604-R608 PolarHBondContact O-N 3Å; I604-T640 HydrophobicContact CG2-CG2 4.42Å; I604-A641 HydrophobicContact CD1-CB 3.69Å; I604-A641 HydrophobicContact CG1-CB 3.61Å; I604-V644 HydrophobicContact CG2-CB 4.18Å; I604-V644 HydrophobicContact CG2-CG1 4.3Å; I604-V644 HydrophobicContact CG2-CG2 3.92Å
605	C	82.4	Confident	80.8	Confident	7 Å²	7	55.5 Å²	55.5	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-38.3	-179.4	-166.4	0	0	0	0	112.4	I567 K601 T602 K603 R608 H609	I567-C605 HydrophobicContact CB-CB 4.49Å; I567-C605 HydrophobicContact CD1-CB 3.89Å; I567-C605 HydrophobicContact CG2-CB 4.26Å; K601-C605 PolarHBondContact O-N 3.35Å; T602-C605 PolarHBondContact O-N 2.75Å; K603-C605 VanDerWaalsContact C-N 3.33Å; K603-C605 PolarHBondContact O-N 3.22Å; C605-R608 WeakPolarHBondContact O-CB 3.46Å; C605-R608 PolarHBondContact O-N 3.4Å; C605-H609 PolarHBondContact O-N 2.81Å; C605-H609 PolarHBondContact O-ND1 3.42Å
606	L	84.9	Confident	80.8	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-49.1	172.7	-71.5	169.8	0	0	0	111	I567 I593 F594 T602 K603 R608 H609 T610 F613 L629	I567-L606 HydrophobicContact CG2-CD2 3.85Å; I567-L606 HydrophobicContact CG2-CG 4.35Å; I593-L606 HydrophobicContact CG2-CD2 4.44Å; F594-L606 HydrophobicContact CD1-CD1 3.97Å; F594-L606 HydrophobicContact CE1-CB 4.35Å; F594-L606 HydrophobicContact CE1-CD1 4.08Å; F594-L606 HydrophobicContact CE1-CD2 4.05Å; F594-L606 HydrophobicContact CE1-CG 4.4Å; T602-L606 HydrophobicContact CG2-CD1 4.06Å; T602-L606 HydrophobicContact CG2-CG 4.45Å; T602-L606 WeakPolarHBondContact O-CG 3.47Å; T602-L606 PolarHBondContact O-N 3.13Å; K603-L606 PolarHBondContact O-N 2.94Å; L606-R608 VanDerWaalsContact C-N 3.26Å; L606-R608 PolarHBondContact O-N 3.24Å; L606-H609 PolarHBondContact O-N 2.79Å; L606-H609 VanDerWaalsContact O-N 3.15Å; L606-T610 PolarHBondContact O-N 3.24Å; L606-F613 HydrophobicContact CD2-CE2 4.2Å; L606-F613 HydrophobicContact CD2-CZ 3.99Å; L606-F613 VanDerWaalsContact O-CE2 3.3Å; L606-F613 WeakPolarHBondContact O-CE2 3.45Å; L606-L629 HydrophobicContact CB-CD2 3.74Å; L606-L629 HydrophobicContact CD1-CD2 4.42Å
607	V	85.4	Confident	81.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-37.2	177.1	178.3	0	0	0	0	111.3	K603 I604 H609 T610 L629 M630 C633 V644 N648	K603-V607 WeakPolarHBondContact O-CG2 3.42Å; K603-V607 PolarHBondContact O-N 3.43Å; I604-V607 PolarHBondContact O-N 3.17Å; V607-H609 PolarHBondContact O-N 3.04Å; V607-T610 WeakPolarHBondContact CA-OG1 3.45Å; V607-T610 WeakPolarHBondContact O-CB 3.29Å; V607-T610 PolarHBondContact O-N 3.48Å; V607-T610 VanDerWaalsContact O-N 3.11Å; V607-T610 PolarHBondContact O-OG1 2.96Å; V607-L629 HydrophobicContact CG2-CD2 3.5Å; V607-L629 VanDerWaalsContact CG2-CD2 3.5Å; V607-L629 HydrophobicContact CG2-CG 4.04Å; V607-M630 HydrophobicContact CG2-CB 4.5Å; V607-C633 HydrophobicContact CG2-CB 4.44Å; V607-V644 HydrophobicContact CB-CG1 4.04Å; V607-V644 HydrophobicContact CG1-CG1 3.88Å; V607-N648 HydrophobicContact CG1-CB 4.05Å; V607-N648 PolarHBondContact O-ND2 3.46Å; V607-N648 PolarHBondContact O-OD1 3.24Å
608	R	85.3	Confident	81.7	Confident	117 Å²	117	48.4 Å²	48.4	44%	0.442	23%	0.225	S	C	.	.	H	α-helix	trans	-57	-34.2	178.2	-176.4	179.6	-65	170.6	-0.6	112.9	I604 C605 L606 V644	I604-R608 WeakPolarHBondContact O-CB 3.5Å; I604-R608 PolarHBondContact O-N 3Å; C605-R608 WeakPolarHBondContact O-CB 3.46Å; C605-R608 PolarHBondContact O-N 3.4Å; L606-R608 VanDerWaalsContact C-N 3.26Å; L606-R608 PolarHBondContact O-N 3.24Å; R608-V644 HydrophobicContact CB-CG1 3.87Å
609	H	85.1	Confident	82.3	Confident	32 Å²	32	49.1 Å²	49.1	15%	0.148	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	22.5	-178.4	-57.1	93.4	0	0	0	113.1	S568 A571 C605 L606 V607 R611 S612 F613	S568-H609 PolarHBondContact OG-NE2 3.12Å; A571-H609 HydrophobicContact CB-CB 3.45Å; A571-H609 VanDerWaalsContact CB-CB 3.45Å; C605-H609 PolarHBondContact O-N 2.81Å; C605-H609 PolarHBondContact O-ND1 3.42Å; L606-H609 PolarHBondContact O-N 2.79Å; L606-H609 VanDerWaalsContact O-N 3.15Å; V607-H609 PolarHBondContact O-N 3.04Å; H609-R611 PolarHBondContact O-N 3.14Å; H609-R611 VanDerWaalsContact O-N 3.15Å; H609-S612 WeakPolarHBondContact O-CB 3.2Å; H609-S612 PolarHBondContact O-N 3.26Å; H609-F613 HydrophobicContact CB-CE2 4.45Å; H609-F613 HydrophobicContact CB-CZ 4.42Å; H609-F613 PolarHBondContact O-N 3.26Å
610	T	85.5	Confident	82.8	Confident	1 Å²	1	52 Å²	52	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-52.9	-38.3	178.8	-62.9	0	0	0	0	112.2	L606 V607 S612 F613 L614 I626 L652	L606-T610 PolarHBondContact O-N 3.24Å; V607-T610 WeakPolarHBondContact CA-OG1 3.45Å; V607-T610 WeakPolarHBondContact O-CB 3.29Å; V607-T610 PolarHBondContact O-N 3.48Å; V607-T610 VanDerWaalsContact O-N 3.11Å; V607-T610 PolarHBondContact O-OG1 2.96Å; T610-S612 VanDerWaalsContact C-N 3.28Å; T610-S612 PolarHBondContact O-N 3Å; T610-F613 PolarHBondContact O-N 2.9Å; T610-F613 VanDerWaalsContact O-N 3.1Å; T610-L614 HydrophobicContact CG2-CD1 3.94Å; T610-L614 HydrophobicContact CG2-CG 4.04Å; T610-L614 WeakPolarHBondContact O-CG 3.41Å; T610-L614 PolarHBondContact O-N 2.98Å; T610-I626 HydrophobicContact CG2-CG2 4.13Å; T610-L652 HydrophobicContact CG2-CD1 3.88Å; T610-L652 HydrophobicContact CG2-CD2 4.1Å; T610-L652 HydrophobicContact CG2-CG 3.97Å
611	R	85	Confident	83.1	Confident	177 Å²	177	49.2 Å²	49.2	67%	0.668	22%	0.222	S	C	*	.	H	α-helix	trans	-55.9	-42.1	178	-163.5	176.9	-138.7	141.3	9.2	113	H609 F613 L651	H609-R611 PolarHBondContact O-N 3.14Å; H609-R611 VanDerWaalsContact O-N 3.15Å; R611-F613 VanDerWaalsContact C-N 3.33Å; R611-L651 HydrophobicContact CB-CD1 3.65Å; R611-L651 HydrophobicContact CG-CD1 4.1Å
612	S	82.6	Confident	83.5	Confident	12 Å²	12	43.9 Å²	43.9	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-68.2	-35.2	179.6	-58.3	0	0	0	0	111.3	A571 E575 H609 T610	A571-S612 WeakPolarHBondContact O-CB 3.32Å; E575-S612 PolarHBondContact OE2-OG 3.09Å; H609-S612 WeakPolarHBondContact O-CB 3.2Å; H609-S612 PolarHBondContact O-N 3.26Å; T610-S612 VanDerWaalsContact C-N 3.28Å; T610-S612 PolarHBondContact O-N 3Å
613	F	83.4	Confident	83.9	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-71.7	-42.9	178	-57.8	-37.3	0	0	0	113	A571 I574 L590 F594 L606 H609 T610 R611 R615 Q616 V617 I626	A571-F613 HydrophobicContact CB-CE1 3.91Å; A571-F613 HydrophobicContact CB-CZ 4.15Å; I574-F613 HydrophobicContact CD1-CD1 3.88Å; I574-F613 HydrophobicContact CD1-CE1 3.67Å; I574-F613 HydrophobicContact CG2-CD1 4.22Å; L590-F613 HydrophobicContact CD1-CE1 4.49Å; F594-F613 HydrophobicContact CE1-CE2 4.47Å; F594-F613 HydrophobicContact CZ-CD2 4.21Å; F594-F613 HydrophobicContact CZ-CE2 4.14Å; L606-F613 HydrophobicContact CD2-CE2 4.2Å; L606-F613 HydrophobicContact CD2-CZ 3.99Å; L606-F613 VanDerWaalsContact O-CE2 3.3Å; L606-F613 WeakPolarHBondContact O-CE2 3.45Å; H609-F613 HydrophobicContact CB-CE2 4.45Å; H609-F613 HydrophobicContact CB-CZ 4.42Å; H609-F613 PolarHBondContact O-N 3.26Å; T610-F613 PolarHBondContact O-N 2.9Å; T610-F613 VanDerWaalsContact O-N 3.1Å; R611-F613 VanDerWaalsContact C-N 3.33Å; F613-R615 PolarHBondContact O-N 3.08Å; F613-Q616 PolarHBondContact O-N 2.76Å; F613-V617 HydrophobicContact CB-CG2 3.93Å; F613-V617 VanDerWaalsContact O-CB 3.23Å; F613-V617 WeakPolarHBondContact O-CB 3.24Å; F613-V617 WeakPolarHBondContact O-CG2 3.43Å; F613-V617 PolarHBondContact O-N 3.16Å; F613-I626 HydrophobicContact CB-CD1 3.9Å; F613-I626 HydrophobicContact CD2-CD1 4.25Å; F613-I626 HydrophobicContact CG-CD1 4.45Å
614	L	82.8	Confident	84.1	Confident	45 Å²	45	51.1 Å²	51.1	24%	0.236	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.4	-176.5	-73	176.7	0	0	0	114.7	T610 I622 L651 L652 Y655	T610-L614 HydrophobicContact CG2-CD1 3.94Å; T610-L614 HydrophobicContact CG2-CG 4.04Å; T610-L614 WeakPolarHBondContact O-CG 3.41Å; T610-L614 PolarHBondContact O-N 2.98Å; L614-I622 HydrophobicContact CD2-CD1 3.46Å; L614-I622 VanDerWaalsContact CD2-CD1 3.46Å; L614-I622 HydrophobicContact CD2-CG1 3.99Å; L614-I622 HydrophobicContact CD2-CG2 4.08Å; L614-L651 HydrophobicContact CD1-CB 3.57Å; L614-L652 HydrophobicContact CD1-CD2 4.1Å; L614-L652 HydrophobicContact CD2-CD2 3.73Å; L614-L652 HydrophobicContact CG-CD2 4.37Å; L614-Y655 HydrophobicContact CD2-CE2 4.32Å
615	R	80.1	Confident	84.2	Confident	173 Å²	173	52.3 Å²	52.3	65%	0.653	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-32.8	-179.6	-169.8	172.2	-176.4	161.6	-1.3	113.8	F613	F613-R615 PolarHBondContact O-N 3.08Å
616	Q	80.5	Confident	84.4	Confident	45 Å²	45	52 Å²	52	21%	0.21	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-25.3	-173.4	-62.3	-62	-8.6	0	0	113.7	I574 C577 Y582 F613	I574-Q616 HydrophobicContact CG2-CB 4.25Å; I574-Q616 WeakPolarHBondContact O-CG 2.85Å; C577-Q616 PolarHBondContact O-NE2 3.21Å; Y582-Q616 HydrophobicContact CD2-CB 4.29Å; Y582-Q616 HydrophobicContact CG-CB 4.33Å; F613-Q616 PolarHBondContact O-N 2.76Å
617	V	83.6	Confident	84.5	Confident	6 Å²	6	52.6 Å²	52.6	4%	0.036	24%	0.241	C	C	.	.	S	Bend	trans	-75	131.4	-176.7	179.1	0	0	0	0	109.5	I574 Y582 L590 F613 V621 I622	I574-V617 HydrophobicContact CG2-CG2 4.5Å; Y582-V617 HydrophobicContact CE2-CG2 3.9Å; L590-V617 HydrophobicContact CD2-CG2 3.93Å; F613-V617 HydrophobicContact CB-CG2 3.93Å; F613-V617 VanDerWaalsContact O-CB 3.23Å; F613-V617 WeakPolarHBondContact O-CB 3.24Å; F613-V617 WeakPolarHBondContact O-CG2 3.43Å; F613-V617 PolarHBondContact O-N 3.16Å; V617-V621 HydrophobicContact CG1-CB 3.59Å; V617-V621 HydrophobicContact CG1-CG1 3.48Å; V617-V621 VanDerWaalsContact CG1-CG1 3.48Å; V617-I622 HydrophobicContact CB-CG1 4.43Å; V617-I622 HydrophobicContact CG1-CG1 4.03Å; V617-I622 WeakPolarHBondContact O-CD1 3.48Å
618	P	84.1	Confident	84.6	Confident	46 Å²	46	55 Å²	55	30%	0.299	26%	0.256	S	S	.	.			trans	-71.7	152.2	-179.5	30.5	-36.7	0	0	0	112.5	N620 V621 I622	P618-N620 WeakPolarHBondContact CB-OD1 3.13Å; P618-N620 VanDerWaalsContact CG-OD1 3.23Å; P618-N620 WeakPolarHBondContact CG-OD1 3.06Å; P618-N620 PolarHBondContact O-N 3.2Å; P618-N620 VanDerWaalsContact O-N 3.13Å; P618-V621 HydrophobicContact CG-CB 4.29Å; P618-V621 HydrophobicContact CG-CG2 3.86Å; P618-V621 PolarHBondContact O-N 3.12Å; P618-I622 PolarHBondContact O-N 2.66Å
619	D	84.2	Confident	84.6	Confident	100 Å²	100	49.9 Å²	49.9	54%	0.535	24%	0.238	S	C	.	.	H	α-helix	trans	-52.7	-37.6	-173.9	-60.3	-6.8	0	0	0	113.7	V621 I622 D623 Y655	D619-V621 VanDerWaalsContact C-N 3.33Å; D619-V621 PolarHBondContact O-N 3.04Å; D619-I622 WeakPolarHBondContact O-CB 3.28Å; D619-I622 PolarHBondContact O-N 2.88Å; D619-D623 PolarHBondContact O-N 3.18Å; D619-Y655 HydrophobicContact CB-CE1 4.1Å; D619-Y655 PolarHBondContact OD1-OH 3.36Å; D619-Y655 VanDerWaalsContact OD1-OH 3.14Å
620	N	85.1	Confident	84.7	Confident	97 Å²	97	48.5 Å²	48.5	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-38.5	177.5	64	-37.1	0	0	0	113	P618 Q624	P618-N620 WeakPolarHBondContact CB-OD1 3.13Å; P618-N620 VanDerWaalsContact CG-OD1 3.23Å; P618-N620 WeakPolarHBondContact CG-OD1 3.06Å; P618-N620 PolarHBondContact O-N 3.2Å; P618-N620 VanDerWaalsContact O-N 3.13Å; N620-Q624 WeakPolarHBondContact O-CB 3.29Å; N620-Q624 PolarHBondContact O-N 2.84Å
621	V	84.7	Confident	84.7	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-75	-34.6	178.5	175.5	0	0	0	0	110.1	I591 V617 P618 D619 Y625	I591-V621 HydrophobicContact CD1-CG2 4.38Å; I591-V621 HydrophobicContact CG1-CG1 4.43Å; V617-V621 HydrophobicContact CG1-CB 3.59Å; V617-V621 HydrophobicContact CG1-CG1 3.48Å; V617-V621 VanDerWaalsContact CG1-CG1 3.48Å; P618-V621 HydrophobicContact CG-CB 4.29Å; P618-V621 HydrophobicContact CG-CG2 3.86Å; P618-V621 PolarHBondContact O-N 3.12Å; D619-V621 VanDerWaalsContact C-N 3.33Å; D619-V621 PolarHBondContact O-N 3.04Å; V621-Y625 HydrophobicContact CB-CD2 4.48Å; V621-Y625 HydrophobicContact CG1-CD2 3.86Å; V621-Y625 HydrophobicContact CG1-CE2 4.5Å; V621-Y625 PolarHBondContact O-N 3.42Å
622	I	85.6	Confident	84.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-60.4	-50.2	174	-62.7	164.8	0	0	0	109.9	L614 V617 P618 D619 I626 L627 L652 Y655	L614-I622 HydrophobicContact CD2-CD1 3.46Å; L614-I622 VanDerWaalsContact CD2-CD1 3.46Å; L614-I622 HydrophobicContact CD2-CG1 3.99Å; L614-I622 HydrophobicContact CD2-CG2 4.08Å; V617-I622 HydrophobicContact CB-CG1 4.43Å; V617-I622 HydrophobicContact CG1-CG1 4.03Å; V617-I622 WeakPolarHBondContact O-CD1 3.48Å; P618-I622 PolarHBondContact O-N 2.66Å; D619-I622 WeakPolarHBondContact O-CB 3.28Å; D619-I622 PolarHBondContact O-N 2.88Å; I622-I626 HydrophobicContact CG1-CD1 4.18Å; I622-I626 HydrophobicContact CG2-CB 4.44Å; I622-I626 PolarHBondContact O-N 2.88Å; I622-I626 VanDerWaalsContact O-N 3.1Å; I622-L627 PolarHBondContact O-N 3.37Å; I622-L652 HydrophobicContact CG2-CD2 3.83Å; I622-Y655 HydrophobicContact CG2-CD1 4.29Å; I622-Y655 HydrophobicContact CG2-CD2 4.21Å; I622-Y655 HydrophobicContact CG2-CE1 4.33Å; I622-Y655 HydrophobicContact CG2-CE2 4.24Å; I622-Y655 HydrophobicContact CG2-CG 4.24Å
623	D	85.6	Confident	84.8	Confident	74 Å²	74	47.1 Å²	47.1	40%	0.396	23%	0.23	S	C	.	.	I	π-helix	trans	-66.1	-39.9	180	-76.4	-20.3	0	0	0	112.8	D619 P628 Y655	D619-D623 PolarHBondContact O-N 3.18Å; D623-P628 VanDerWaalsContact O-CD 3.24Å; D623-P628 WeakPolarHBondContact O-CD 3.49Å; D623-Y655 WeakPolarHBondContact OD1-CD1 3.17Å
624	Q	86.1	Confident	84.9	Confident	118 Å²	118	47.2 Å²	47.2	55%	0.551	23%	0.231	S	C	*	.	I	π-helix	trans	-77.5	-33.1	-175.1	-173.7	176.2	4.3	0	0	113.3	N620 P628	N620-Q624 WeakPolarHBondContact O-CB 3.29Å; N620-Q624 PolarHBondContact O-N 2.84Å; Q624-P628 WeakPolarHBondContact O-CG 3.39Å
625	Y	86.8	Confident	85	Confident	37 Å²	37	48.9 Å²	48.9	15%	0.145	24%	0.243	C	C	.	.	I	π-helix	trans	-122.3	-52.5	-170.5	-60.1	-77.8	0	0	0	113.5	I591 F594 E595 V621 L629	I591-Y625 HydrophobicContact CG1-CE2 4.41Å; I591-Y625 HydrophobicContact CG2-CE1 4.43Å; I591-Y625 HydrophobicContact CG2-CE2 4.1Å; F594-Y625 HydrophobicContact CB-CD1 3.96Å; F594-Y625 HydrophobicContact CB-CG 4.09Å; E595-Y625 HydrophobicContact CG-CD1 4.47Å; E595-Y625 HydrophobicContact CG-CE1 3.67Å; E595-Y625 PolarHBondContact OE1-OH 2.93Å; V621-Y625 HydrophobicContact CB-CD2 4.48Å; V621-Y625 HydrophobicContact CG1-CD2 3.86Å; V621-Y625 HydrophobicContact CG1-CE2 4.5Å; V621-Y625 PolarHBondContact O-N 3.42Å; Y625-L629 WeakPolarHBondContact O-CB 3.43Å; Y625-L629 PolarHBondContact O-N 3.03Å; Y625-L629 VanDerWaalsContact O-N 3.07Å
626	I	87.2	Confident	85.2	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.218	C	C	.	.	I	π-helix	trans	-69.5	-44.2	-173.3	-58.5	-177.7	0	0	0	110.6	F594 T610 F613 I622 L629 M630 L652	F594-I626 HydrophobicContact CE1-CG1 4.28Å; F594-I626 HydrophobicContact CE2-CG1 4.42Å; F594-I626 HydrophobicContact CZ-CD1 4.26Å; F594-I626 HydrophobicContact CZ-CG1 3.94Å; T610-I626 HydrophobicContact CG2-CG2 4.13Å; F613-I626 HydrophobicContact CB-CD1 3.9Å; F613-I626 HydrophobicContact CD2-CD1 4.25Å; F613-I626 HydrophobicContact CG-CD1 4.45Å; I622-I626 HydrophobicContact CG1-CD1 4.18Å; I622-I626 HydrophobicContact CG2-CB 4.44Å; I622-I626 PolarHBondContact O-N 2.88Å; I622-I626 VanDerWaalsContact O-N 3.1Å; I626-L629 WeakPolarHBondContact O-CB 3.37Å; I626-L629 PolarHBondContact O-N 2.93Å; I626-M630 WeakPolarHBondContact O-CB 3.09Å; I626-M630 PolarHBondContact O-N 3.06Å; I626-L652 HydrophobicContact CG2-CD1 3.98Å
627	L	87	Confident	85.2	Confident	16 Å²	16	47 Å²	47	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-47.5	-179	176.7	66	0	0	0	112.4	I622 L629 M630 K631 I656	I622-L627 PolarHBondContact O-N 3.37Å; L627-L629 PolarHBondContact O-N 2.88Å; L627-M630 HydrophobicContact CD1-CE 3.63Å; L627-M630 PolarHBondContact O-N 2.86Å; L627-K631 WeakPolarHBondContact O-CG 3.46Å; L627-K631 PolarHBondContact O-N 3.23Å; L627-I656 HydrophobicContact CD1-CD1 4.31Å; L627-I656 HydrophobicContact CD1-CG1 3.69Å
628	P	87.2	Confident	85.3	Confident	51 Å²	51	49.5 Å²	49.5	33%	0.331	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-40.6	171.9	-29	37.8	0	0	0	113.8	D623 Q624 M630 K631 Q632	D623-P628 VanDerWaalsContact O-CD 3.24Å; D623-P628 WeakPolarHBondContact O-CD 3.49Å; Q624-P628 WeakPolarHBondContact O-CG 3.39Å; P628-M630 VanDerWaalsContact C-N 3.35Å; P628-M630 PolarHBondContact O-N 3.32Å; P628-K631 PolarHBondContact O-N 3.22Å; P628-Q632 WeakPolarHBondContact O-CG 3.31Å; P628-Q632 PolarHBondContact O-N 3.34Å
629	L	85.6	Confident	85.3	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-45.5	177.4	-173.1	95.9	0	0	0	111.2	K603 L606 V607 Y625 I626 L627 Q632 C633	K603-L629 HydrophobicContact CB-CD1 3.79Å; K603-L629 HydrophobicContact CB-CG 4.21Å; K603-L629 HydrophobicContact CD-CD1 4.03Å; K603-L629 HydrophobicContact CG-CD1 3.6Å; L606-L629 HydrophobicContact CB-CD2 3.74Å; L606-L629 HydrophobicContact CD1-CD2 4.42Å; V607-L629 HydrophobicContact CG2-CD2 3.5Å; V607-L629 VanDerWaalsContact CG2-CD2 3.5Å; V607-L629 HydrophobicContact CG2-CG 4.04Å; Y625-L629 WeakPolarHBondContact O-CB 3.43Å; Y625-L629 PolarHBondContact O-N 3.03Å; Y625-L629 VanDerWaalsContact O-N 3.07Å; I626-L629 WeakPolarHBondContact O-CB 3.37Å; I626-L629 PolarHBondContact O-N 2.93Å; L627-L629 PolarHBondContact O-N 2.88Å; L629-Q632 WeakPolarHBondContact O-CB 3.24Å; L629-Q632 PolarHBondContact O-N 2.77Å; L629-C633 PolarHBondContact O-N 3.38Å; L629-C633 PolarHBondContact O-SG 3.11Å
630	M	86.7	Confident	85.3	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-43.1	175.9	-179.1	-155.1	75	0	0	111.8	V607 I626 L627 P628 Q632 C633 L634 A645 L649 L652 I656	V607-M630 HydrophobicContact CG2-CB 4.5Å; I626-M630 WeakPolarHBondContact O-CB 3.09Å; I626-M630 PolarHBondContact O-N 3.06Å; L627-M630 HydrophobicContact CD1-CE 3.63Å; L627-M630 PolarHBondContact O-N 2.86Å; P628-M630 VanDerWaalsContact C-N 3.35Å; P628-M630 PolarHBondContact O-N 3.32Å; M630-Q632 VanDerWaalsContact C-N 3.3Å; M630-Q632 PolarHBondContact O-N 3.09Å; M630-C633 PolarHBondContact O-N 3.02Å; M630-L634 WeakPolarHBondContact O-CB 3.37Å; M630-L634 PolarHBondContact O-N 3.14Å; M630-A645 HydrophobicContact CG-CB 4.4Å; M630-L649 HydrophobicContact CE-CD1 3.34Å; M630-L649 HydrophobicContact SD-CD1 3.31Å; M630-L649 WeakPolarHBondContact SD-CD1 3.49Å; M630-L652 HydrophobicContact CB-CD1 4.45Å; M630-L652 HydrophobicContact CG-CD1 4.42Å; M630-L652 HydrophobicContact SD-CB 4.26Å; M630-L652 HydrophobicContact SD-CD1 3.49Å; M630-L652 WeakPolarHBondContact SD-CD1 3.32Å; M630-L652 HydrophobicContact SD-CG 4.48Å; M630-I656 HydrophobicContact CE-CD1 3.78Å
631	K	85.8	Confident	85.3	Confident	62 Å²	62	44.8 Å²	44.8	27%	0.27	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-41.6	174.1	-74.3	178.4	174.8	-173.6	0	111.4	L627 P628 L634 V635 D660	L627-K631 WeakPolarHBondContact O-CG 3.46Å; L627-K631 PolarHBondContact O-N 3.23Å; P628-K631 PolarHBondContact O-N 3.22Å; K631-L634 PolarHBondContact O-N 3Å; K631-V635 VanDerWaalsContact O-CG2 3.31Å; K631-V635 WeakPolarHBondContact O-CG2 3.32Å; K631-V635 PolarHBondContact O-N 3.48Å; K631-D660 IonicContact NZ-OD2 3.98Å; K631-D660 PolarHBondContact NZ-OD2 3.17Å
632	Q	85.1	Confident	85.4	Confident	98 Å²	98	45.3 Å²	45.3	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-43.7	175.1	-70.9	174.8	15.5	0	0	112.1	P628 L629 M630 V635 S636	P628-Q632 WeakPolarHBondContact O-CG 3.31Å; P628-Q632 PolarHBondContact O-N 3.34Å; L629-Q632 WeakPolarHBondContact O-CB 3.24Å; L629-Q632 PolarHBondContact O-N 2.77Å; M630-Q632 VanDerWaalsContact C-N 3.3Å; M630-Q632 PolarHBondContact O-N 3.09Å; Q632-V635 PolarHBondContact O-N 2.79Å; Q632-S636 WeakPolarHBondContact O-CB 3.46Å; Q632-S636 PolarHBondContact O-N 3.45Å
633	C	84.6	Confident	85.3	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-41.2	176.6	-72.6	0	0	0	0	112.1	V607 L629 M630 S636 A641 A645	V607-C633 HydrophobicContact CG2-CB 4.44Å; L629-C633 PolarHBondContact O-N 3.38Å; L629-C633 PolarHBondContact O-SG 3.11Å; M630-C633 PolarHBondContact O-N 3.02Å; C633-S636 PolarHBondContact O-N 2.7Å; C633-S636 PolarHBondContact O-OG 3.21Å; C633-A641 HydrophobicContact CB-CB 4.27Å; C633-A645 HydrophobicContact CB-CB 3.96Å
634	L	85.3	Confident	85.3	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-38	178.2	-173.8	68	0	0	0	112.8	M630 K631 S636 A645 L646 I664 V665 K668	M630-L634 WeakPolarHBondContact O-CB 3.37Å; M630-L634 PolarHBondContact O-N 3.14Å; K631-L634 PolarHBondContact O-N 3Å; L634-S636 VanDerWaalsContact C-N 3.35Å; L634-A645 HydrophobicContact CB-CB 4.2Å; L634-A645 HydrophobicContact CD1-CB 4.48Å; L634-L646 HydrophobicContact CD1-CD2 3.77Å; L634-L646 HydrophobicContact CD1-CG 4.02Å; L634-I664 HydrophobicContact CD2-CG2 4.49Å; L634-V665 HydrophobicContact CD2-CG2 4.06Å; L634-K668 HydrophobicContact CD1-CB 4.06Å; L634-K668 HydrophobicContact CD2-CB 4.28Å; L634-K668 HydrophobicContact CD2-CG 4.33Å; L634-K668 HydrophobicContact CG-CB 4.07Å; L634-K668 HydrophobicContact CG-CG 4.07Å
635	V	85.1	Confident	85.4	Confident	80 Å²	80	37.9 Å²	37.9	49%	0.485	20%	0.203	S	C	.	.	H	α-helix	trans	-79.6	-20	179.6	175.7	0	0	0	0	112.2	K631 Q632	K631-V635 VanDerWaalsContact O-CG2 3.31Å; K631-V635 WeakPolarHBondContact O-CG2 3.32Å; K631-V635 PolarHBondContact O-N 3.48Å; Q632-V635 PolarHBondContact O-N 2.79Å
636	S	83.6	Confident	85.4	Confident	20 Å²	20	36.2 Å²	36.2	14%	0.14	20%	0.197	C	C	.	.	S	Bend	trans	-63.3	151.5	-176.8	78.3	0	0	0	0	113.2	Q632 C633 L634 N638 A641 Q642	Q632-S636 WeakPolarHBondContact O-CB 3.46Å; Q632-S636 PolarHBondContact O-N 3.45Å; C633-S636 PolarHBondContact O-N 2.7Å; C633-S636 PolarHBondContact O-OG 3.21Å; L634-S636 VanDerWaalsContact C-N 3.35Å; S636-N638 PolarHBondContact O-N 3.07Å; S636-A641 VanDerWaalsContact OG-CB 3.22Å; S636-A641 WeakPolarHBondContact OG-CB 3.5Å; S636-Q642 PolarHBondContact O-NE2 3.05Å
637	N	81.3	Confident	85.3	Confident	158 Å²	158	39.6 Å²	39.6	85%	0.845	22%	0.215	S	C	*	.	S	Bend	trans	-75.5	2.6	176	-64.7	-16.6	0	0	0	113.3
638	N	83.9	Confident	85.4	Confident	59 Å²	59	39.7 Å²	39.7	32%	0.316	22%	0.215	S	C	.	.			trans	-90.4	119.5	-176	-174.4	-57	0	0	0	110.6	L600 S636 T640 A641 Q642	L600-N638 HydrophobicContact CD2-CB 3.91Å; S636-N638 PolarHBondContact O-N 3.07Å; N638-T640 VanDerWaalsContact C-N 3.34Å; N638-T640 PolarHBondContact O-N 2.84Å; N638-T640 WeakPolarHBondContact OD1-CB 3.39Å; N638-T640 PolarHBondContact OD1-N 2.98Å; N638-A641 HydrophobicContact CB-CB 3.91Å; N638-A641 WeakPolarHBondContact O-CB 3.48Å; N638-A641 PolarHBondContact O-N 3.49Å; N638-A641 VanDerWaalsContact O-N 3.15Å; N638-A641 PolarHBondContact OD1-N 3.36Å; N638-A641 VanDerWaalsContact OD1-N 3.14Å; N638-Q642 PolarHBondContact O-N 2.86Å; N638-Q642 VanDerWaalsContact O-N 3.08Å
639	I	84.1	Confident	85.3	Confident	71 Å²	71	37.4 Å²	37.4	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-58.1	-44.8	-177.8	-61	172.1	0	0	0	111.5	A641 Q642 I643 L680	I639-A641 VanDerWaalsContact C-N 3.31Å; I639-A641 PolarHBondContact O-N 2.8Å; I639-Q642 PolarHBondContact O-N 3.28Å; I639-I643 HydrophobicContact CG2-CD1 3.85Å; I639-I643 HydrophobicContact CG2-CG1 4.41Å; I639-I643 WeakPolarHBondContact O-CG1 3.19Å; I639-I643 PolarHBondContact O-N 3.03Å; I639-L680 HydrophobicContact CG2-CB 4.45Å; I639-L680 HydrophobicContact CG2-CD2 4.41Å
640	T	84.7	Confident	85.1	Confident	73 Å²	73	41 Å²	41	45%	0.448	22%	0.217	S	C	.	.	H	α-helix	trans	-63.2	-38.4	179.4	-49.4	0	0	0	0	111.6	I604 N638 I643 V644	I604-T640 HydrophobicContact CG2-CG2 4.42Å; N638-T640 VanDerWaalsContact C-N 3.34Å; N638-T640 PolarHBondContact O-N 2.84Å; N638-T640 WeakPolarHBondContact OD1-CB 3.39Å; N638-T640 PolarHBondContact OD1-N 2.98Å; T640-I643 PolarHBondContact O-N 2.96Å; T640-V644 WeakPolarHBondContact O-CB 3.36Å; T640-V644 VanDerWaalsContact O-CG2 3.3Å; T640-V644 WeakPolarHBondContact O-CG2 3.43Å; T640-V644 PolarHBondContact O-N 3.38Å
641	A	84.9	Confident	85	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-42	176.4	0	0	0	0	0	112.2	I604 C633 S636 N638 I639 V644 A645	I604-A641 HydrophobicContact CD1-CB 3.69Å; I604-A641 HydrophobicContact CG1-CB 3.61Å; C633-A641 HydrophobicContact CB-CB 4.27Å; S636-A641 VanDerWaalsContact OG-CB 3.22Å; S636-A641 WeakPolarHBondContact OG-CB 3.5Å; N638-A641 HydrophobicContact CB-CB 3.91Å; N638-A641 WeakPolarHBondContact O-CB 3.48Å; N638-A641 PolarHBondContact O-N 3.49Å; N638-A641 VanDerWaalsContact O-N 3.15Å; N638-A641 PolarHBondContact OD1-N 3.36Å; N638-A641 VanDerWaalsContact OD1-N 3.14Å; I639-A641 VanDerWaalsContact C-N 3.31Å; I639-A641 PolarHBondContact O-N 2.8Å; A641-V644 PolarHBondContact O-N 2.76Å; A641-A645 VanDerWaalsContact O-CB 3.26Å; A641-A645 WeakPolarHBondContact O-CB 3.45Å; A641-A645 PolarHBondContact O-N 3.18Å
642	Q	86.7	Confident	84.9	Confident	12 Å²	12	40.1 Å²	40.1	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-45.8	176.8	-67.4	178.8	25.9	0	0	111.5	S636 N638 I639 V644 A645 L646 L680	S636-Q642 PolarHBondContact O-NE2 3.05Å; N638-Q642 PolarHBondContact O-N 2.86Å; N638-Q642 VanDerWaalsContact O-N 3.08Å; I639-Q642 PolarHBondContact O-N 3.28Å; Q642-V644 PolarHBondContact O-N 2.84Å; Q642-A645 PolarHBondContact O-N 2.68Å; Q642-L646 WeakPolarHBondContact O-CB 3.35Å; Q642-L646 VanDerWaalsContact O-CG 3.25Å; Q642-L646 WeakPolarHBondContact O-CG 3.44Å; Q642-L646 PolarHBondContact O-N 3.29Å; Q642-L680 HydrophobicContact CB-CD1 3.8Å
643	I	84.7	Confident	84.7	Confident	22 Å²	22	36.1 Å²	36.1	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-50.2	176.7	-68.2	167.4	0	0	0	110.6	I639 T640 A645 L646 N647 Q679 L680 A683	I639-I643 HydrophobicContact CG2-CD1 3.85Å; I639-I643 HydrophobicContact CG2-CG1 4.41Å; I639-I643 WeakPolarHBondContact O-CG1 3.19Å; I639-I643 PolarHBondContact O-N 3.03Å; T640-I643 PolarHBondContact O-N 2.96Å; I643-A645 PolarHBondContact O-N 3.21Å; I643-L646 PolarHBondContact O-N 3.45Å; I643-N647 WeakPolarHBondContact O-CB 3.23Å; I643-N647 VanDerWaalsContact O-CG 3.31Å; I643-N647 PolarHBondContact O-N 2.95Å; I643-Q679 HydrophobicContact CD1-CB 3.88Å; I643-L680 HydrophobicContact CD1-CB 4.4Å; I643-L680 HydrophobicContact CG1-CB 4.09Å; I643-L680 HydrophobicContact CG1-CD1 3.86Å; I643-A683 HydrophobicContact CG2-CB 4.21Å
644	V	85.6	Confident	84.5	Confident	14 Å²	14	39.2 Å²	39.2	9%	0.085	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-40	-178.4	171.4	0	0	0	0	111.5	I604 V607 R608 T640 A641 Q642 N648	I604-V644 HydrophobicContact CG2-CB 4.18Å; I604-V644 HydrophobicContact CG2-CG1 4.3Å; I604-V644 HydrophobicContact CG2-CG2 3.92Å; V607-V644 HydrophobicContact CB-CG1 4.04Å; V607-V644 HydrophobicContact CG1-CG1 3.88Å; R608-V644 HydrophobicContact CB-CG1 3.87Å; T640-V644 WeakPolarHBondContact O-CB 3.36Å; T640-V644 VanDerWaalsContact O-CG2 3.3Å; T640-V644 WeakPolarHBondContact O-CG2 3.43Å; T640-V644 PolarHBondContact O-N 3.38Å; A641-V644 PolarHBondContact O-N 2.76Å; Q642-V644 PolarHBondContact O-N 2.84Å; V644-N648 WeakPolarHBondContact O-CB 3.49Å; V644-N648 PolarHBondContact O-N 3.46Å; V644-N648 VanDerWaalsContact O-N 3.13Å; V644-N648 PolarHBondContact O-ND2 2.83Å
645	A	87.7	Confident	84.3	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-45.3	176.5	0	0	0	0	0	112.1	M630 C633 L634 A641 Q642 I643 N648 L649	M630-A645 HydrophobicContact CG-CB 4.4Å; C633-A645 HydrophobicContact CB-CB 3.96Å; L634-A645 HydrophobicContact CB-CB 4.2Å; L634-A645 HydrophobicContact CD1-CB 4.48Å; A641-A645 VanDerWaalsContact O-CB 3.26Å; A641-A645 WeakPolarHBondContact O-CB 3.45Å; A641-A645 PolarHBondContact O-N 3.18Å; Q642-A645 PolarHBondContact O-N 2.68Å; I643-A645 PolarHBondContact O-N 3.21Å; A645-N648 PolarHBondContact O-N 3.42Å; A645-L649 WeakPolarHBondContact O-CB 3.38Å; A645-L649 PolarHBondContact O-N 2.85Å
646	L	87.1	Confident	84.3	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-43.7	179.6	-72.5	168.8	0	0	0	112	L634 Q642 I643 N648 L649 I669 A672 L680 A683 C687	L634-L646 HydrophobicContact CD1-CD2 3.77Å; L634-L646 HydrophobicContact CD1-CG 4.02Å; Q642-L646 WeakPolarHBondContact O-CB 3.35Å; Q642-L646 VanDerWaalsContact O-CG 3.25Å; Q642-L646 WeakPolarHBondContact O-CG 3.44Å; Q642-L646 PolarHBondContact O-N 3.29Å; I643-L646 PolarHBondContact O-N 3.45Å; L646-N648 VanDerWaalsContact C-N 3.34Å; L646-N648 PolarHBondContact O-N 3.12Å; L646-L649 WeakPolarHBondContact O-CB 3.3Å; L646-L649 PolarHBondContact O-N 2.75Å; L646-I669 HydrophobicContact CD2-CG1 3.96Å; L646-A672 HydrophobicContact CD1-CB 4.22Å; L646-L680 HydrophobicContact CD1-CD1 3.85Å; L646-A683 HydrophobicContact CB-CB 4.16Å; L646-A683 HydrophobicContact CD1-CB 4.39Å; L646-C687 HydrophobicContact CB-CB 4.2Å; L646-C687 HydrophobicContact CD2-CB 4.09Å
647	N	85.6	Confident	84.2	Confident	73 Å²	73	40.9 Å²	40.9	39%	0.39	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-35.8	178.1	-71.8	-8.8	0	0	0	112.6	I643 A683	I643-N647 WeakPolarHBondContact O-CB 3.23Å; I643-N647 VanDerWaalsContact O-CG 3.31Å; I643-N647 PolarHBondContact O-N 2.95Å; N647-A683 VanDerWaalsContact OD1-CB 3.25Å; N647-A683 WeakPolarHBondContact OD1-CB 3.43Å
648	N	87	Confident	84.3	Confident	18 Å²	18	36.2 Å²	36.2	10%	0.096	21%	0.209	C	C	.	.	H	α-helix	trans	-85.6	-11.5	178.6	-75.5	-85.4	0	0	0	113.1	V607 V644 A645 L646 E650 L651	V607-N648 HydrophobicContact CG1-CB 4.05Å; V607-N648 PolarHBondContact O-ND2 3.46Å; V607-N648 PolarHBondContact O-OD1 3.24Å; V644-N648 WeakPolarHBondContact O-CB 3.49Å; V644-N648 PolarHBondContact O-N 3.46Å; V644-N648 VanDerWaalsContact O-N 3.13Å; V644-N648 PolarHBondContact O-ND2 2.83Å; A645-N648 PolarHBondContact O-N 3.42Å; L646-N648 VanDerWaalsContact C-N 3.34Å; L646-N648 PolarHBondContact O-N 3.12Å; N648-E650 PolarHBondContact O-N 3.2Å; N648-L651 WeakPolarHBondContact O-CB 3.46Å; N648-L651 PolarHBondContact O-N 3.47Å; N648-L651 VanDerWaalsContact O-N 3.09Å
649	L	85.4	Confident	84.3	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-35.8	179.3	-162.6	75.2	0	0	0	111.5	M630 A645 L646 L651 L652 V653 I656 V665 C687 I691	M630-L649 HydrophobicContact CE-CD1 3.34Å; M630-L649 HydrophobicContact SD-CD1 3.31Å; M630-L649 WeakPolarHBondContact SD-CD1 3.49Å; A645-L649 WeakPolarHBondContact O-CB 3.38Å; A645-L649 PolarHBondContact O-N 2.85Å; L646-L649 WeakPolarHBondContact O-CB 3.3Å; L646-L649 PolarHBondContact O-N 2.75Å; L649-L651 PolarHBondContact O-N 3.46Å; L649-L651 VanDerWaalsContact O-N 3.14Å; L649-L652 CarbonylContact O-C 3.42Å; L649-L652 PolarHBondContact O-N 3.29Å; L649-V653 WeakPolarHBondContact O-CG2 3.44Å; L649-V653 PolarHBondContact O-N 3.42Å; L649-I656 HydrophobicContact CD1-CD1 3.33Å; L649-I656 HydrophobicContact CG-CD1 4.04Å; L649-V665 HydrophobicContact CD1-CG2 4.43Å; L649-V665 HydrophobicContact CD2-CB 4.22Å; L649-V665 HydrophobicContact CD2-CG1 3.3Å; L649-V665 HydrophobicContact CD2-CG2 3.9Å; L649-C687 WeakPolarHBondContact CD2-SG 3.1Å; L649-I691 HydrophobicContact CD2-CG2 4.21Å
650	E	82.8	Confident	84.3	Confident	88 Å²	88	36 Å²	36	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-49.3	-39.5	175.5	165.5	173.6	-158.1	0	0	112.4	N648 L652 H686 T690	N648-E650 PolarHBondContact O-N 3.2Å; E650-L652 VanDerWaalsContact C-N 3.31Å; E650-L652 PolarHBondContact O-N 3.08Å; E650-H686 IonicContact OE2-NE2 2.71Å; E650-T690 HydrophobicContact CB-CG2 3.83Å; E650-T690 HydrophobicContact CG-CG2 3.66Å
651	L	83.5	Confident	84.3	Confident	46 Å²	46	32.5 Å²	32.5	24%	0.241	19%	0.19	C	C	.	.	H	α-helix	trans	-76	-22.6	-177.2	-55.1	174.7	0	0	0	112.6	R611 L614 N648 L649	R611-L651 HydrophobicContact CB-CD1 3.65Å; R611-L651 HydrophobicContact CG-CD1 4.1Å; L614-L651 HydrophobicContact CD1-CB 3.57Å; N648-L651 WeakPolarHBondContact O-CB 3.46Å; N648-L651 PolarHBondContact O-N 3.47Å; N648-L651 VanDerWaalsContact O-N 3.09Å; L649-L651 PolarHBondContact O-N 3.46Å; L649-L651 VanDerWaalsContact O-N 3.14Å
652	L	83.5	Confident	84.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-108.7	-1.4	-173.1	-67	175.7	0	0	0	113.6	T610 L614 I622 I626 M630 L649 E650 G654 Y655 I656	T610-L652 HydrophobicContact CG2-CD1 3.88Å; T610-L652 HydrophobicContact CG2-CD2 4.1Å; T610-L652 HydrophobicContact CG2-CG 3.97Å; L614-L652 HydrophobicContact CD1-CD2 4.1Å; L614-L652 HydrophobicContact CD2-CD2 3.73Å; L614-L652 HydrophobicContact CG-CD2 4.37Å; I622-L652 HydrophobicContact CG2-CD2 3.83Å; I626-L652 HydrophobicContact CG2-CD1 3.98Å; M630-L652 HydrophobicContact CB-CD1 4.45Å; M630-L652 HydrophobicContact CG-CD1 4.42Å; M630-L652 HydrophobicContact SD-CB 4.26Å; M630-L652 HydrophobicContact SD-CD1 3.49Å; M630-L652 WeakPolarHBondContact SD-CD1 3.32Å; M630-L652 HydrophobicContact SD-CG 4.48Å; L649-L652 CarbonylContact O-C 3.42Å; L649-L652 PolarHBondContact O-N 3.29Å; E650-L652 VanDerWaalsContact C-N 3.31Å; E650-L652 PolarHBondContact O-N 3.08Å; L652-G654 PolarHBondContact O-N 3.07Å; L652-Y655 HydrophobicContact CD2-CD2 4.03Å; L652-Y655 HydrophobicContact CD2-CE2 4.46Å; L652-Y655 PolarHBondContact O-N 2.99Å; L652-I656 WeakPolarHBondContact O-CG1 3.4Å
653	V	81.3	Confident	84.2	Confident	13 Å²	13	39.2 Å²	39.2	8%	0.079	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-52.2	-32.1	-176.5	-176.7	0	0	0	0	112.4	L649 Y655 I656 L661 T690 I691 R694	L649-V653 WeakPolarHBondContact O-CG2 3.44Å; L649-V653 PolarHBondContact O-N 3.42Å; V653-Y655 VanDerWaalsContact C-N 3.31Å; V653-Y655 PolarHBondContact O-N 3.42Å; V653-I656 PolarHBondContact O-N 3.21Å; V653-L661 HydrophobicContact CG1-CD1 4.1Å; V653-T690 HydrophobicContact CG2-CG2 4.29Å; V653-I691 HydrophobicContact CG1-CG2 4.48Å; V653-I691 HydrophobicContact CG2-CG2 4.09Å; V653-R694 HydrophobicContact CG1-CG 4.04Å
654	G	80.5	Confident	84.2	Confident	66 Å²	66	40.9 Å²	40.9	68%	0.68	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-66.6	-25.1	177.8	0	0	0	0	0	115.5	L652	L652-G654 PolarHBondContact O-N 3.07Å
655	Y	81.9	Confident	84.2	Confident	78 Å²	78	40.4 Å²	40.4	31%	0.306	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-93.6	-10.9	-178.2	-62.9	-84.6	0	0	0	112.9	L614 D619 I622 D623 L652 V653	L614-Y655 HydrophobicContact CD2-CE2 4.32Å; D619-Y655 HydrophobicContact CB-CE1 4.1Å; D619-Y655 PolarHBondContact OD1-OH 3.36Å; D619-Y655 VanDerWaalsContact OD1-OH 3.14Å; I622-Y655 HydrophobicContact CG2-CD1 4.29Å; I622-Y655 HydrophobicContact CG2-CD2 4.21Å; I622-Y655 HydrophobicContact CG2-CE1 4.33Å; I622-Y655 HydrophobicContact CG2-CE2 4.24Å; I622-Y655 HydrophobicContact CG2-CG 4.24Å; D623-Y655 WeakPolarHBondContact OD1-CD1 3.17Å; L652-Y655 HydrophobicContact CD2-CD2 4.03Å; L652-Y655 HydrophobicContact CD2-CE2 4.46Å; L652-Y655 PolarHBondContact O-N 2.99Å; V653-Y655 VanDerWaalsContact C-N 3.31Å; V653-Y655 PolarHBondContact O-N 3.42Å
656	I	83.6	Confident	84.1	Confident	13 Å²	13	40.5 Å²	40.5	7%	0.067	23%	0.23	C	C	.	.	S	Bend	trans	-94.2	132.8	-175.4	-52.2	171.9	0	0	0	109.3	L627 M630 L649 L652 V653 D660 L661	L627-I656 HydrophobicContact CD1-CD1 4.31Å; L627-I656 HydrophobicContact CD1-CG1 3.69Å; M630-I656 HydrophobicContact CE-CD1 3.78Å; L649-I656 HydrophobicContact CD1-CD1 3.33Å; L649-I656 HydrophobicContact CG-CD1 4.04Å; L652-I656 WeakPolarHBondContact O-CG1 3.4Å; V653-I656 PolarHBondContact O-N 3.21Å; I656-D660 HydrophobicContact CG2-CB 3.78Å; I656-L661 HydrophobicContact CB-CD2 4.01Å; I656-L661 HydrophobicContact CB-CG 4.04Å; I656-L661 HydrophobicContact CD1-CD2 4.05Å; I656-L661 HydrophobicContact CG2-CD2 3.8Å; I656-L661 HydrophobicContact CG2-CG 3.71Å
657	S	82.9	Confident	84.1	Confident	50 Å²	50	45.5 Å²	45.5	35%	0.35	25%	0.253	S	S	.	.			trans	-62.5	144.4	173.8	68.7	0	0	0	0	110.7	T659 D660 L661	S657-T659 PolarHBondContact O-N 3.1Å; S657-T659 PolarHBondContact OG-OG1 2.67Å; S657-T659 VanDerWaalsContact OG-OG1 3.12Å; S657-D660 PolarHBondContact O-N 3.5Å; S657-D660 VanDerWaalsContact OG-CB 3.25Å; S657-D660 WeakPolarHBondContact OG-CB 3.43Å; S657-D660 PolarHBondContact OG-N 2.89Å; S657-D660 PolarHBondContact OG-OD1 3.46Å; S657-D660 PolarHBondContact OG-OD2 3.33Å; S657-L661 PolarHBondContact O-N 3.32Å
658	V	83.2	Confident	84	Confident	60 Å²	60	43.9 Å²	43.9	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-37	179	-178.9	0	0	0	0	110.8	D660 L661 E662	V658-D660 PolarHBondContact O-N 3.31Å; V658-L661 WeakPolarHBondContact O-CB 3.47Å; V658-L661 PolarHBondContact O-N 3.4Å; V658-E662 HydrophobicContact CG1-CG 4.32Å; V658-E662 VanDerWaalsContact O-CG 3.29Å; V658-E662 WeakPolarHBondContact O-CG 3.31Å; V658-E662 PolarHBondContact O-N 2.71Å
659	T	84.2	Confident	83.9	Confident	82 Å²	82	43 Å²	43	50%	0.503	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-41.5	175.8	51.5	0	0	0	0	112.9	S657 E662 I663	S657-T659 PolarHBondContact O-N 3.1Å; S657-T659 PolarHBondContact OG-OG1 2.67Å; S657-T659 VanDerWaalsContact OG-OG1 3.12Å; T659-E662 PolarHBondContact O-N 2.62Å; T659-I663 WeakPolarHBondContact O-CB 3.46Å; T659-I663 WeakPolarHBondContact O-CG1 3.46Å; T659-I663 PolarHBondContact O-N 3.43Å
660	D	84	Confident	84	Confident	42 Å²	42	45.6 Å²	45.6	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-70.7	-34.5	177.9	-73.8	-0.7	0	0	0	111.2	K631 I656 S657 V658 I664 V665	K631-D660 IonicContact NZ-OD2 3.98Å; K631-D660 PolarHBondContact NZ-OD2 3.17Å; I656-D660 HydrophobicContact CG2-CB 3.78Å; S657-D660 PolarHBondContact O-N 3.5Å; S657-D660 VanDerWaalsContact OG-CB 3.25Å; S657-D660 WeakPolarHBondContact OG-CB 3.43Å; S657-D660 PolarHBondContact OG-N 2.89Å; S657-D660 PolarHBondContact OG-OD1 3.46Å; S657-D660 PolarHBondContact OG-OD2 3.33Å; V658-D660 PolarHBondContact O-N 3.31Å; D660-I664 HydrophobicContact CB-CD1 4.16Å; D660-I664 WeakPolarHBondContact O-CA 3.41Å; D660-I664 VanDerWaalsContact O-CB 3.28Å; D660-I664 WeakPolarHBondContact O-CB 3.45Å; D660-I664 PolarHBondContact O-N 3.39Å; D660-V665 PolarHBondContact O-N 2.88Å; D660-V665 VanDerWaalsContact O-N 3.14Å
661	L	83.8	Confident	84	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.243	C	C	.	.	I	π-helix	trans	-62.7	-46.4	173.4	-71.2	172.3	0	0	0	111.2	V653 I656 S657 V658 V665 L666 I691 R694 L695	V653-L661 HydrophobicContact CG1-CD1 4.1Å; I656-L661 HydrophobicContact CB-CD2 4.01Å; I656-L661 HydrophobicContact CB-CG 4.04Å; I656-L661 HydrophobicContact CD1-CD2 4.05Å; I656-L661 HydrophobicContact CG2-CD2 3.8Å; I656-L661 HydrophobicContact CG2-CG 3.71Å; S657-L661 PolarHBondContact O-N 3.32Å; V658-L661 WeakPolarHBondContact O-CB 3.47Å; V658-L661 PolarHBondContact O-N 3.4Å; L661-V665 HydrophobicContact CD2-CB 4.45Å; L661-V665 HydrophobicContact CD2-CG2 4.12Å; L661-V665 WeakPolarHBondContact O-CB 3.41Å; L661-L666 PolarHBondContact O-N 3.09Å; L661-I691 HydrophobicContact CD2-CG2 4.2Å; L661-R694 HydrophobicContact CD1-CB 4.37Å; L661-L695 HydrophobicContact CB-CD2 4.32Å
662	E	85.2	Confident	83.9	Confident	42 Å²	42	42 Å²	42	20%	0.196	23%	0.231	C	C	.	.	I	π-helix	trans	-72.2	-38.2	-177.2	-70	-178.4	146.7	0	0	113.1	V658 T659 L666 L695 S696 T699	V658-E662 HydrophobicContact CG1-CG 4.32Å; V658-E662 VanDerWaalsContact O-CG 3.29Å; V658-E662 WeakPolarHBondContact O-CG 3.31Å; V658-E662 PolarHBondContact O-N 2.71Å; T659-E662 PolarHBondContact O-N 2.62Å; E662-L666 WeakPolarHBondContact O-CB 3.4Å; E662-L695 HydrophobicContact CG-CD2 3.76Å; E662-S696 WeakPolarHBondContact OE1-CB 3.36Å; E662-S696 PolarHBondContact OE1-N 2.92Å; E662-S696 PolarHBondContact OE1-OG 2.95Å; E662-T699 HydrophobicContact CB-CG2 4.36Å; E662-T699 HydrophobicContact CG-CG2 4.1Å; E662-T699 PolarHBondContact OE1-OG1 2.87Å
663	I	84.6	Confident	83.7	Confident	111 Å²	111	42.1 Å²	42.1	57%	0.569	23%	0.232	S	C	*	.	I	π-helix	trans	-90.9	-54.5	-175.5	-61	171.1	0	0	0	110.7	T659 Q667	T659-I663 WeakPolarHBondContact O-CB 3.46Å; T659-I663 WeakPolarHBondContact O-CG1 3.46Å; T659-I663 PolarHBondContact O-N 3.43Å; I663-Q667 WeakPolarHBondContact O-CB 3.44Å
664	I	84	Confident	83.6	Confident	56 Å²	56	48.8 Å²	48.8	29%	0.287	26%	0.262	S	S	.	.	I	π-helix	trans	-83.7	-53.8	-169.1	-54.3	175.2	0	0	0	110.2	L634 D660 K668	L634-I664 HydrophobicContact CD2-CG2 4.49Å; D660-I664 HydrophobicContact CB-CD1 4.16Å; D660-I664 WeakPolarHBondContact O-CA 3.41Å; D660-I664 VanDerWaalsContact O-CB 3.28Å; D660-I664 WeakPolarHBondContact O-CB 3.45Å; D660-I664 PolarHBondContact O-N 3.39Å; I664-K668 WeakPolarHBondContact O-CB 3.33Å; I664-K668 VanDerWaalsContact O-CG 3.29Å; I664-K668 WeakPolarHBondContact O-CG 3.36Å; I664-K668 PolarHBondContact O-N 3.49Å; I664-K668 VanDerWaalsContact O-N 3.13Å
665	V	85.5	Confident	83.4	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.03	25%	0.253	C	S	.	.	I	π-helix	trans	-69.8	-50.2	-173.4	174.6	0	0	0	0	110.9	L634 L649 D660 L661 Q667 K668 I669 I691	L634-V665 HydrophobicContact CD2-CG2 4.06Å; L649-V665 HydrophobicContact CD1-CG2 4.43Å; L649-V665 HydrophobicContact CD2-CB 4.22Å; L649-V665 HydrophobicContact CD2-CG1 3.3Å; L649-V665 HydrophobicContact CD2-CG2 3.9Å; D660-V665 PolarHBondContact O-N 2.88Å; D660-V665 VanDerWaalsContact O-N 3.14Å; L661-V665 HydrophobicContact CD2-CB 4.45Å; L661-V665 HydrophobicContact CD2-CG2 4.12Å; L661-V665 WeakPolarHBondContact O-CB 3.41Å; V665-Q667 VanDerWaalsContact C-N 3.34Å; V665-Q667 PolarHBondContact O-N 3.21Å; V665-K668 CarbonylContact O-C 3.55Å; V665-K668 WeakPolarHBondContact O-CA 3.31Å; V665-K668 PolarHBondContact O-N 2.84Å; V665-I669 HydrophobicContact CG1-CD1 3.8Å; V665-I669 HydrophobicContact CG1-CG1 4.3Å; V665-I669 WeakPolarHBondContact O-CG1 3.24Å; V665-I669 PolarHBondContact O-N 2.89Å; V665-I691 HydrophobicContact CG1-CD1 4.08Å
666	L	86.1	Confident	82.9	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-40.4	-178.3	-176.6	61.5	0	0	0	112.1	L661 E662 K668 I669 K670 L688 T699 D703 V704	L661-L666 PolarHBondContact O-N 3.09Å; E662-L666 WeakPolarHBondContact O-CB 3.4Å; L666-K668 VanDerWaalsContact C-N 3.26Å; L666-K668 PolarHBondContact O-N 2.9Å; L666-I669 PolarHBondContact O-N 3.4Å; L666-K670 WeakPolarHBondContact O-CG 3.44Å; L666-K670 PolarHBondContact O-N 2.96Å; 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 3.89Å; L666-V704 HydrophobicContact CD1-CG2 4.15Å; L666-V704 HydrophobicContact CD2-CG2 4.22Å
667	Q	87.6	Confident	82.8	Confident	106 Å²	106	57 Å²	57	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-40.9	173.7	-175.6	-178.3	14.3	0	0	111.1	I663 V665 K670 Q671	I663-Q667 WeakPolarHBondContact O-CB 3.44Å; V665-Q667 VanDerWaalsContact C-N 3.34Å; V665-Q667 PolarHBondContact O-N 3.21Å; Q667-K670 PolarHBondContact O-N 2.88Å; Q667-Q671 WeakPolarHBondContact O-CG 3.46Å; Q667-Q671 PolarHBondContact O-N 2.8Å
668	K	83.8	Confident	82.6	Confident	40 Å²	40	59.3 Å²	59.3	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-70.6	-35.6	177.7	-73.9	-73.7	171.1	-166.8	0	113.1	L634 I664 V665 L666 Q671 A672	L634-K668 HydrophobicContact CD1-CB 4.06Å; L634-K668 HydrophobicContact CD2-CB 4.28Å; L634-K668 HydrophobicContact CD2-CG 4.33Å; L634-K668 HydrophobicContact CG-CB 4.07Å; L634-K668 HydrophobicContact CG-CG 4.07Å; I664-K668 WeakPolarHBondContact O-CB 3.33Å; I664-K668 VanDerWaalsContact O-CG 3.29Å; I664-K668 WeakPolarHBondContact O-CG 3.36Å; I664-K668 PolarHBondContact O-N 3.49Å; I664-K668 VanDerWaalsContact O-N 3.13Å; V665-K668 CarbonylContact O-C 3.55Å; V665-K668 WeakPolarHBondContact O-CA 3.31Å; V665-K668 PolarHBondContact O-N 2.84Å; L666-K668 VanDerWaalsContact C-N 3.26Å; L666-K668 PolarHBondContact O-N 2.9Å; K668-Q671 PolarHBondContact O-N 3.45Å; K668-A672 WeakPolarHBondContact O-CB 3.43Å; K668-A672 PolarHBondContact O-N 3.28Å
669	I	85.4	Confident	82.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-46.6	171.5	-72.1	170	0	0	0	110.4	L646 V665 L666 Q671 A672 F673 C687 L688 I691 F707	L646-I669 HydrophobicContact CD2-CG1 3.96Å; V665-I669 HydrophobicContact CG1-CD1 3.8Å; V665-I669 HydrophobicContact CG1-CG1 4.3Å; V665-I669 WeakPolarHBondContact O-CG1 3.24Å; V665-I669 PolarHBondContact O-N 2.89Å; L666-I669 PolarHBondContact O-N 3.4Å; I669-Q671 PolarHBondContact O-N 3.31Å; I669-A672 PolarHBondContact O-N 3.37Å; I669-F673 PolarHBondContact O-N 2.71Å; I669-C687 HydrophobicContact CD1-CB 4.37Å; I669-L688 HydrophobicContact CD1-CB 4.29Å; I669-L688 HydrophobicContact CG2-CB 4.32Å; I669-I691 HydrophobicContact CD1-CD1 3.58Å; I669-F707 HydrophobicContact CG2-CE1 4.09Å; I669-F707 HydrophobicContact CG2-CZ 4.19Å
670	K	85.7	Confident	82.4	Confident	55 Å²	55	58.3 Å²	58.3	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-44.5	176.8	-69.7	178.6	178.7	-175.1	0	111.6	L666 Q667 Q674 D703 F707	L666-K670 WeakPolarHBondContact O-CG 3.44Å; L666-K670 PolarHBondContact O-N 2.96Å; Q667-K670 PolarHBondContact O-N 2.88Å; K670-Q674 WeakPolarHBondContact O-CG 3.25Å; K670-Q674 PolarHBondContact O-N 2.68Å; K670-D703 VanDerWaalsContact NZ-CB 3.31Å; K670-D703 IonicContact NZ-OD1 2.69Å; K670-D703 PolarHBondContact NZ-OD1 3.44Å; K670-F707 HydrophobicContact CB-CD2 4.45Å; K670-F707 HydrophobicContact CB-CE2 4.36Å; K670-F707 HydrophobicContact CG-CD2 3.83Å; K670-F707 HydrophobicContact CG-CE2 4.11Å; K670-F707 HydrophobicContact CG-CG 4.23Å
671	Q	83.2	Confident	82.4	Confident	59 Å²	59	57.1 Å²	57.1	28%	0.276	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-42.9	175.5	-72.3	175.2	-0.4	0	0	112.3	Q667 K668 I669 F673 Q674 Y675	Q667-Q671 WeakPolarHBondContact O-CG 3.46Å; Q667-Q671 PolarHBondContact O-N 2.8Å; K668-Q671 PolarHBondContact O-N 3.45Å; I669-Q671 PolarHBondContact O-N 3.31Å; Q671-F673 VanDerWaalsContact C-N 3.26Å; Q671-F673 PolarHBondContact O-N 2.92Å; Q671-Q674 WeakPolarHBondContact O-CB 3.3Å; Q671-Q674 PolarHBondContact O-N 3.37Å; Q671-Y675 WeakPolarHBondContact O-CD2 3.43Å; Q671-Y675 PolarHBondContact O-N 2.82Å
672	A	81.1	Confident	82.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-37.8	-180	0	0	0	0	0	111.8	L646 K668 I669 Y675 L680	L646-A672 HydrophobicContact CD1-CB 4.22Å; K668-A672 WeakPolarHBondContact O-CB 3.43Å; K668-A672 PolarHBondContact O-N 3.28Å; I669-A672 PolarHBondContact O-N 3.37Å; A672-Y675 PolarHBondContact O-N 3.49Å; A672-L680 HydrophobicContact CB-CD1 3.89Å; A672-L680 HydrophobicContact CB-CD2 4.08Å; A672-L680 HydrophobicContact CB-CG 3.79Å; A672-L680 WeakPolarHBondContact O-CD2 3.38Å
673	F	80.1	Confident	82.3	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-72	-33	178.2	-165.4	-90.5	0	0	0	113.4	I669 Q671 Y675 Q681 L685 F707 V711 E714	I669-F673 PolarHBondContact O-N 2.71Å; Q671-F673 VanDerWaalsContact C-N 3.26Å; Q671-F673 PolarHBondContact O-N 2.92Å; F673-Y675 PolarHBondContact O-N 2.92Å; F673-Q681 HydrophobicContact CD2-CB 3.88Å; F673-Q681 HydrophobicContact CD2-CG 3.76Å; F673-Q681 HydrophobicContact CE2-CB 3.93Å; F673-Q681 HydrophobicContact CE2-CG 3.94Å; F673-Q681 HydrophobicContact CG-CG 4.23Å; F673-Q681 PolarHBondContact O-NE2 3.49Å; F673-L685 HydrophobicContact CD2-CD1 4.48Å; F673-L685 HydrophobicContact CD2-CD2 4.42Å; F673-L685 HydrophobicContact CD2-CG 4.26Å; F673-L685 HydrophobicContact CE2-CD1 3.97Å; F673-L685 HydrophobicContact CE2-CD2 4.47Å; F673-L685 HydrophobicContact CE2-CG 4.24Å; F673-F707 HydrophobicContact CB-CE2 3.88Å; F673-F707 HydrophobicContact CB-CZ 3.7Å; F673-F707 HydrophobicContact CD1-CE2 4.35Å; F673-F707 HydrophobicContact CD1-CZ 4.48Å; F673-F707 HydrophobicContact CD2-CZ 4.38Å; F673-F707 HydrophobicContact CG-CE2 4.17Å; F673-F707 AromaticContact CG-CZ 3.93Å; F673-F707 HydrophobicContact CG-CZ 3.93Å; F673-V711 HydrophobicContact CD1-CG2 3.89Å; F673-V711 HydrophobicContact CD2-CG2 4.12Å; F673-V711 HydrophobicContact CE1-CB 4.17Å; F673-V711 HydrophobicContact CE1-CG1 4.27Å; F673-V711 HydrophobicContact CE1-CG2 3.64Å; F673-V711 HydrophobicContact CE2-CB 4.41Å; F673-V711 HydrophobicContact CE2-CG1 3.8Å; F673-V711 HydrophobicContact CE2-CG2 3.89Å; F673-V711 HydrophobicContact CG-CG2 4.14Å; F673-V711 HydrophobicContact CZ-CB 3.95Å; F673-V711 HydrophobicContact CZ-CG1 3.54Å; F673-V711 HydrophobicContact CZ-CG2 3.67Å; F673-E714 WeakPolarHBondContact CE1-OE2 3.46Å
674	Q	79.9	Confident	82.3	Confident	152 Å²	152	51.1 Å²	51.1	71%	0.71	24%	0.243	S	C	*	.	H	α-helix	trans	-66.3	-23.5	177	-70.4	174.7	-18.9	0	0	112.9	K670 Q671	K670-Q674 WeakPolarHBondContact O-CG 3.25Å; K670-Q674 PolarHBondContact O-N 2.68Å; Q671-Q674 WeakPolarHBondContact O-CB 3.3Å; Q671-Q674 PolarHBondContact O-N 3.37Å
675	Y	76.5	Confident	82.4	Confident	123 Å²	123	48.5 Å²	48.5	48%	0.482	23%	0.229	S	C	.	.	S	Bend	trans	-72.2	128.8	170	-69.1	-72.5	0	0	0	109.4	Q671 A672 F673 N677 L680 Q681	Q671-Y675 WeakPolarHBondContact O-CD2 3.43Å; Q671-Y675 PolarHBondContact O-N 2.82Å; A672-Y675 PolarHBondContact O-N 3.49Å; F673-Y675 PolarHBondContact O-N 2.92Å; Y675-N677 PolarHBondContact O-N 2.88Å; Y675-L680 HydrophobicContact CD2-CD2 4.02Å; Y675-L680 HydrophobicContact CG-CD2 4.33Å; Y675-Q681 PolarHBondContact O-NE2 3.03Å
676	N	71.2	Confident	82.5	Confident	158 Å²	158	51.1 Å²	51.1	85%	0.845	24%	0.241	S	C	*	.	S	Bend	trans	-74	47.9	179.7	-165.6	24.7	0	0	0	112.6
677	N	80	Confident	82.5	Confident	50 Å²	50	51 Å²	51	27%	0.267	24%	0.24	S	C	.	.			trans	-117.7	111.5	176.4	-174.7	-43.3	0	0	0	109.3	Y675 Q679 L680 Q681	Y675-N677 PolarHBondContact O-N 2.88Å; N677-Q679 VanDerWaalsContact C-N 3.28Å; N677-Q679 PolarHBondContact O-N 2.92Å; N677-Q679 PolarHBondContact OD1-N 2.77Å; N677-L680 HydrophobicContact CB-CB 4.1Å; N677-L680 PolarHBondContact O-N 3.42Å; N677-L680 VanDerWaalsContact O-N 3.15Å; N677-L680 PolarHBondContact OD1-N 3.42Å; N677-Q681 WeakPolarHBondContact O-CG 3.34Å; N677-Q681 PolarHBondContact O-N 2.78Å
678	Q	80	Confident	82.5	Confident	98 Å²	98	46 Å²	46	46%	0.458	22%	0.217	S	C	.	.	H	α-helix	trans	-57.3	-37.4	-175.8	-171.6	177.6	-4.1	0	0	113.1	L682 P756	Q678-L682 HydrophobicContact CG-CD1 4.19Å; Q678-L682 WeakPolarHBondContact O-CB 3.33Å; Q678-L682 WeakPolarHBondContact O-CD1 3.34Å; Q678-L682 WeakPolarHBondContact O-CG 3.22Å; Q678-L682 PolarHBondContact O-N 3.2Å; Q678-P756 HydrophobicContact CG-CG 4.47Å
679	Q	80.3	Confident	82.7	Confident	120 Å²	120	45 Å²	45	56%	0.561	21%	0.214	S	C	*	.	H	α-helix	trans	-70.9	-38.3	179.9	-67.9	-177.1	-17.8	0	0	112.1	I643 N677 L682 A683	I643-Q679 HydrophobicContact CD1-CB 3.88Å; N677-Q679 VanDerWaalsContact C-N 3.28Å; N677-Q679 PolarHBondContact O-N 2.92Å; N677-Q679 PolarHBondContact OD1-N 2.77Å; Q679-L682 PolarHBondContact O-N 2.98Å; Q679-A683 WeakPolarHBondContact O-CB 3.48Å; Q679-A683 PolarHBondContact O-N 3.3Å
680	L	82.6	Confident	82.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-40.8	177	-177.6	62.2	0	0	0	111.2	I639 Q642 I643 L646 A672 Y675 N677 L682 A683 S684	I639-L680 HydrophobicContact CG2-CB 4.45Å; I639-L680 HydrophobicContact CG2-CD2 4.41Å; Q642-L680 HydrophobicContact CB-CD1 3.8Å; I643-L680 HydrophobicContact CD1-CB 4.4Å; I643-L680 HydrophobicContact CG1-CB 4.09Å; I643-L680 HydrophobicContact CG1-CD1 3.86Å; L646-L680 HydrophobicContact CD1-CD1 3.85Å; A672-L680 HydrophobicContact CB-CD1 3.89Å; A672-L680 HydrophobicContact CB-CD2 4.08Å; A672-L680 HydrophobicContact CB-CG 3.79Å; A672-L680 WeakPolarHBondContact O-CD2 3.38Å; Y675-L680 HydrophobicContact CD2-CD2 4.02Å; Y675-L680 HydrophobicContact CG-CD2 4.33Å; N677-L680 HydrophobicContact CB-CB 4.1Å; N677-L680 PolarHBondContact O-N 3.42Å; N677-L680 VanDerWaalsContact O-N 3.15Å; N677-L680 PolarHBondContact OD1-N 3.42Å; L680-L682 VanDerWaalsContact C-N 3.35Å; L680-L682 PolarHBondContact O-N 3.12Å; L680-A683 PolarHBondContact O-N 2.83Å; L680-S684 VanDerWaalsContact O-CB 3.27Å; L680-S684 WeakPolarHBondContact O-CB 3.14Å; L680-S684 PolarHBondContact O-N 2.88Å; L680-S684 PolarHBondContact O-OG 3.19Å
681	Q	84.7	Confident	82.6	Confident	18 Å²	18	44 Å²	44	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-47.4	172.5	-74	175.8	-16.5	0	0	111.2	F673 Y675 N677 S684 L685	F673-Q681 HydrophobicContact CD2-CB 3.88Å; F673-Q681 HydrophobicContact CD2-CG 3.76Å; F673-Q681 HydrophobicContact CE2-CB 3.93Å; F673-Q681 HydrophobicContact CE2-CG 3.94Å; F673-Q681 HydrophobicContact CG-CG 4.23Å; F673-Q681 PolarHBondContact O-NE2 3.49Å; Y675-Q681 PolarHBondContact O-NE2 3.03Å; N677-Q681 WeakPolarHBondContact O-CG 3.34Å; N677-Q681 PolarHBondContact O-N 2.78Å; Q681-S684 PolarHBondContact O-N 3.02Å; Q681-S684 PolarHBondContact O-OG 3.04Å; Q681-L685 WeakPolarHBondContact O-CG 3.4Å; Q681-L685 PolarHBondContact O-N 2.69Å
682	L	83.2	Confident	82.7	Confident	25 Å²	25	41.1 Å²	41.1	13%	0.131	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-51.1	176.3	-75.9	167	0	0	0	112.7	Q678 Q679 L680 S684 L685 H686 V753 E754 P756	Q678-L682 HydrophobicContact CG-CD1 4.19Å; Q678-L682 WeakPolarHBondContact O-CB 3.33Å; Q678-L682 WeakPolarHBondContact O-CD1 3.34Å; Q678-L682 WeakPolarHBondContact O-CG 3.22Å; Q678-L682 PolarHBondContact O-N 3.2Å; Q679-L682 PolarHBondContact O-N 2.98Å; L680-L682 VanDerWaalsContact C-N 3.35Å; L680-L682 PolarHBondContact O-N 3.12Å; L682-S684 PolarHBondContact O-N 3.39Å; L682-L685 PolarHBondContact O-N 2.89Å; L682-H686 WeakPolarHBondContact O-CB 3.34Å; L682-H686 PolarHBondContact O-N 2.92Å; L682-V753 HydrophobicContact CD1-CG1 3.84Å; L682-E754 WeakPolarHBondContact CD1-O 3.19Å; L682-E754 WeakPolarHBondContact CD2-O 3.4Å; L682-P756 HydrophobicContact CD2-CB 4.27Å; L682-P756 HydrophobicContact CD2-CG 4Å; L682-P756 HydrophobicContact CG-CG 4.22Å
683	A	82.4	Confident	82.8	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-38.4	177.6	0	0	0	0	0	111.9	I643 L646 N647 Q679 L680 C687	I643-A683 HydrophobicContact CG2-CB 4.21Å; L646-A683 HydrophobicContact CB-CB 4.16Å; L646-A683 HydrophobicContact CD1-CB 4.39Å; N647-A683 VanDerWaalsContact OD1-CB 3.25Å; N647-A683 WeakPolarHBondContact OD1-CB 3.43Å; Q679-A683 WeakPolarHBondContact O-CB 3.48Å; Q679-A683 PolarHBondContact O-N 3.3Å; L680-A683 PolarHBondContact O-N 2.83Å; A683-C687 WeakPolarHBondContact O-CB 3.39Å; A683-C687 PolarHBondContact O-N 2.8Å
684	S	85.8	Confident	83	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-41	178.5	76.1	0	0	0	0	112.8	L680 Q681 L682 L688	L680-S684 VanDerWaalsContact O-CB 3.27Å; L680-S684 WeakPolarHBondContact O-CB 3.14Å; L680-S684 PolarHBondContact O-N 2.88Å; L680-S684 PolarHBondContact O-OG 3.19Å; Q681-S684 PolarHBondContact O-N 3.02Å; Q681-S684 PolarHBondContact O-OG 3.04Å; L682-S684 PolarHBondContact O-N 3.39Å; S684-L688 WeakPolarHBondContact O-CB 3.43Å; S684-L688 PolarHBondContact O-N 3.25Å
685	L	86.4	Confident	83.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.5	-44.9	177.3	-71.3	176.6	0	0	0	111.2	F673 Q681 L682 C687 L688 V689 F707 L708 V711 P756 E759	F673-L685 HydrophobicContact CD2-CD1 4.48Å; F673-L685 HydrophobicContact CD2-CD2 4.42Å; F673-L685 HydrophobicContact CD2-CG 4.26Å; F673-L685 HydrophobicContact CE2-CD1 3.97Å; F673-L685 HydrophobicContact CE2-CD2 4.47Å; F673-L685 HydrophobicContact CE2-CG 4.24Å; Q681-L685 WeakPolarHBondContact O-CG 3.4Å; Q681-L685 PolarHBondContact O-N 2.69Å; L682-L685 PolarHBondContact O-N 2.89Å; L685-C687 VanDerWaalsContact C-N 3.32Å; L685-C687 PolarHBondContact O-N 3.42Å; L685-L688 WeakPolarHBondContact O-CA 3.47Å; L685-L688 WeakPolarHBondContact O-CB 3.38Å; L685-L688 PolarHBondContact O-N 2.93Å; L685-L688 VanDerWaalsContact O-N 3.1Å; L685-V689 VanDerWaalsContact O-CG2 3.32Å; L685-V689 WeakPolarHBondContact O-CG2 3.44Å; L685-V689 PolarHBondContact O-N 2.99Å; L685-F707 HydrophobicContact CD2-CE1 4.27Å; L685-L708 HydrophobicContact CD2-CD2 4.48Å; L685-V711 HydrophobicContact CD1-CG1 4.24Å; L685-V711 HydrophobicContact CD2-CG1 4.26Å; L685-V711 HydrophobicContact CD2-CG2 4.28Å; L685-P756 HydrophobicContact CD1-CB 4.07Å; L685-E759 HydrophobicContact CB-CB 3.81Å; L685-E759 HydrophobicContact CD1-CB 4.44Å
686	H	87	Confident	83.9	Confident	60 Å²	60	39.9 Å²	39.9	28%	0.278	20%	0.202	S	C	.	.	H	α-helix	trans	-57.4	-47.2	175.3	-173.2	78	0	0	0	111.2	E650 L682 L688 V689 T690 E759	E650-H686 IonicContact OE2-NE2 2.71Å; L682-H686 WeakPolarHBondContact O-CB 3.34Å; L682-H686 PolarHBondContact O-N 2.92Å; H686-L688 VanDerWaalsContact C-N 3.32Å; H686-L688 PolarHBondContact O-N 3.34Å; H686-V689 WeakPolarHBondContact O-CB 3.37Å; H686-V689 PolarHBondContact O-N 2.61Å; H686-T690 PolarHBondContact O-N 3.48Å; H686-T690 PolarHBondContact O-OG1 3.33Å; H686-E759 IonicContact CE1-OE1 2.66Å; H686-E759 IonicContact CG-OE1 3.58Å; H686-E759 IonicContact ND1-OE1 2.71Å; H686-E759 PolarHBondContact ND1-OE1 3.14Å; H686-E759 IonicContact ND1-OE2 2.69Å
687	C	85.4	Confident	84.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-42.5	174.7	-172	0	0	0	0	112.1	L646 L649 I669 A683 L685 T690 I691	L646-C687 HydrophobicContact CB-CB 4.2Å; L646-C687 HydrophobicContact CD2-CB 4.09Å; L649-C687 WeakPolarHBondContact CD2-SG 3.1Å; I669-C687 HydrophobicContact CD1-CB 4.37Å; A683-C687 WeakPolarHBondContact O-CB 3.39Å; A683-C687 PolarHBondContact O-N 2.8Å; L685-C687 VanDerWaalsContact C-N 3.32Å; L685-C687 PolarHBondContact O-N 3.42Å; C687-T690 PolarHBondContact O-N 2.96Å; C687-I691 WeakPolarHBondContact O-CG1 3.43Å; C687-I691 PolarHBondContact O-N 3.47Å; C687-I691 VanDerWaalsContact O-N 3.08Å
688	L	88.1	Confident	84.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-48.9	176.1	-177.2	61	0	0	0	111.5	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 3.43Å; S684-L688 PolarHBondContact O-N 3.25Å; L685-L688 WeakPolarHBondContact O-CA 3.47Å; L685-L688 WeakPolarHBondContact O-CB 3.38Å; L685-L688 PolarHBondContact O-N 2.93Å; L685-L688 VanDerWaalsContact O-N 3.1Å; H686-L688 VanDerWaalsContact C-N 3.32Å; H686-L688 PolarHBondContact O-N 3.34Å; L688-T690 PolarHBondContact O-N 3.42Å; L688-I691 HydrophobicContact CD1-CD1 4.16Å; L688-I691 HydrophobicContact CD1-CG1 4.19Å; L688-I691 WeakPolarHBondContact O-CG1 3.47Å; L688-I691 PolarHBondContact O-N 2.86Å; L688-I691 VanDerWaalsContact O-N 3.17Å; L688-L692 HydrophobicContact CD1-CD2 4.5Å; L688-L692 HydrophobicContact CG-CG 4.41Å; L688-L692 VanDerWaalsContact O-CG 3.26Å; L688-L692 WeakPolarHBondContact O-CG 3.25Å; L688-L692 PolarHBondContact O-N 3.29Å; L688-V704 HydrophobicContact CD1-CG1 4.08Å; L688-V704 HydrophobicContact CD1-CG2 4.46Å; L688-V704 HydrophobicContact CD2-CG1 4.13Å; L688-V704 HydrophobicContact CG-CG1 4.45Å; L688-F707 HydrophobicContact CD2-CD1 3.81Å; L688-F707 HydrophobicContact CD2-CE1 3.74Å; L688-L708 HydrophobicContact CD2-CD2 3.71Å; L688-L708 HydrophobicContact CD2-CG 4.4Å
689	V	87.3	Confident	85.3	Confident	19 Å²	19	32 Å²	32	12%	0.115	17%	0.172	C	C	.	.	H	α-helix	trans	-51.5	-43.2	178.7	175.7	0	0	0	0	111	L685 H686 N762 A763 Q766	L685-V689 VanDerWaalsContact O-CG2 3.32Å; L685-V689 WeakPolarHBondContact O-CG2 3.44Å; L685-V689 PolarHBondContact O-N 2.99Å; H686-V689 WeakPolarHBondContact O-CB 3.37Å; H686-V689 PolarHBondContact O-N 2.61Å; V689-N762 HydrophobicContact CG1-CB 4.27Å; V689-N762 HydrophobicContact CG2-CB 4.13Å; V689-A763 HydrophobicContact CG2-CB 3.79Å; V689-Q766 HydrophobicContact CG1-CB 4.4Å
690	T	84	Confident	85.6	Confident	34 Å²	34	26.3 Å²	26.3	21%	0.209	15%	0.145	C	C	.	.	H	α-helix	trans	-70.2	-45.8	-179.4	-53.1	0	0	0	0	112.6	E650 V653 H686 C687 L688 L692 T693	E650-T690 HydrophobicContact CB-CG2 3.83Å; E650-T690 HydrophobicContact CG-CG2 3.66Å; V653-T690 HydrophobicContact CG2-CG2 4.29Å; H686-T690 PolarHBondContact O-N 3.48Å; H686-T690 PolarHBondContact O-OG1 3.33Å; C687-T690 PolarHBondContact O-N 2.96Å; L688-T690 PolarHBondContact O-N 3.42Å; T690-L692 VanDerWaalsContact C-N 3.33Å; T690-L692 PolarHBondContact O-N 2.99Å; T690-T693 PolarHBondContact O-OG1 3.07Å
691	I	85.4	Confident	85.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-75.3	-20.4	-176.8	67.1	173.3	0	0	0	113.3	L649 V653 L661 V665 I669 C687 L688 T693 R694 L695	L649-I691 HydrophobicContact CD2-CG2 4.21Å; V653-I691 HydrophobicContact CG1-CG2 4.48Å; V653-I691 HydrophobicContact CG2-CG2 4.09Å; L661-I691 HydrophobicContact CD2-CG2 4.2Å; V665-I691 HydrophobicContact CG1-CD1 4.08Å; I669-I691 HydrophobicContact CD1-CD1 3.58Å; C687-I691 WeakPolarHBondContact O-CG1 3.43Å; C687-I691 PolarHBondContact O-N 3.47Å; C687-I691 VanDerWaalsContact O-N 3.08Å; L688-I691 HydrophobicContact CD1-CD1 4.16Å; L688-I691 HydrophobicContact CD1-CG1 4.19Å; L688-I691 WeakPolarHBondContact O-CG1 3.47Å; L688-I691 PolarHBondContact O-N 2.86Å; L688-I691 VanDerWaalsContact O-N 3.17Å; I691-T693 PolarHBondContact O-N 2.91Å; I691-R694 PolarHBondContact O-N 3.03Å; I691-L695 HydrophobicContact CD1-CD1 4.33Å; I691-L695 HydrophobicContact CD1-CD2 4.44Å; I691-L695 HydrophobicContact CG1-CD1 4.27Å; I691-L695 PolarHBondContact O-N 2.92Å
692	L	85.5	Confident	85.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-37.3	-177.9	-89.7	176.2	0	0	0	113.5	L688 T690 R694 V704 A763 Q766 L767	L688-L692 HydrophobicContact CD1-CD2 4.5Å; L688-L692 HydrophobicContact CG-CG 4.41Å; L688-L692 VanDerWaalsContact O-CG 3.26Å; L688-L692 WeakPolarHBondContact O-CG 3.25Å; L688-L692 PolarHBondContact O-N 3.29Å; T690-L692 VanDerWaalsContact C-N 3.33Å; T690-L692 PolarHBondContact O-N 2.99Å; L692-R694 PolarHBondContact O-N 2.99Å; L692-V704 HydrophobicContact CD2-CG1 3.67Å; L692-A763 HydrophobicContact CD1-CB 4.18Å; L692-Q766 HydrophobicContact CB-CG 4.33Å; L692-Q766 HydrophobicContact CD1-CB 4.09Å; L692-Q766 HydrophobicContact CD1-CG 4.32Å; L692-L767 HydrophobicContact CD1-CD2 4.44Å; L692-L767 HydrophobicContact CD1-CG 4.04Å; L692-L767 HydrophobicContact CD2-CD1 4.5Å; L692-L767 HydrophobicContact CD2-CD2 3.74Å; L692-L767 HydrophobicContact CD2-CG 4.12Å
693	T	83.8	Confident	86.1	Confident	68 Å²	68	35.5 Å²	35.5	42%	0.417	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.5	-178.9	63.7	0	0	0	0	113.9	T690 I691 Q766 T770	T690-T693 PolarHBondContact O-OG1 3.07Å; I691-T693 PolarHBondContact O-N 2.91Å; T693-Q766 HydrophobicContact CG2-CG 4.29Å; T693-T770 HydrophobicContact CG2-CG2 4.13Å
694	R	83.3	Confident	86.4	Confident	135 Å²	135	35.4 Å²	35.4	51%	0.509	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-14.8	-174.1	-61.6	-136.3	69.2	125.5	-1	114.6	V653 L661 I691 L692	V653-R694 HydrophobicContact CG1-CG 4.04Å; L661-R694 HydrophobicContact CD1-CB 4.37Å; I691-R694 PolarHBondContact O-N 3.03Å; L692-R694 PolarHBondContact O-N 2.99Å
695	L	87.5	Confident	86.5	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	20%	0.199	C	C	.	.	S	Bend	trans	-70.7	149.9	179.5	-60.8	176.2	0	0	0	110.8	L661 E662 I691 I700 V704 K771	L661-L695 HydrophobicContact CB-CD2 4.32Å; E662-L695 HydrophobicContact CG-CD2 3.76Å; I691-L695 HydrophobicContact CD1-CD1 4.33Å; I691-L695 HydrophobicContact CD1-CD2 4.44Å; I691-L695 HydrophobicContact CG1-CD1 4.27Å; I691-L695 PolarHBondContact O-N 2.92Å; L695-I700 HydrophobicContact CB-CD1 4.14Å; L695-I700 HydrophobicContact CB-CG1 3.89Å; L695-V704 HydrophobicContact CD1-CG2 3.8Å; L695-K771 PolarHBondContact O-NZ 2.84Å
696	S	87.6	Confident	86.6	Confident	46 Å²	46	39 Å²	39	32%	0.322	22%	0.219	S	C	.	.			trans	-69.6	156.5	173.5	71.2	0	0	0	0	111.6	E662 A698 T699 I700	E662-S696 WeakPolarHBondContact OE1-CB 3.36Å; E662-S696 PolarHBondContact OE1-N 2.92Å; E662-S696 PolarHBondContact OE1-OG 2.95Å; S696-A698 VanDerWaalsContact C-N 3.27Å; S696-A698 PolarHBondContact O-N 2.84Å; S696-T699 PolarHBondContact O-N 3.35Å; S696-T699 PolarHBondContact OG-N 3.17Å; S696-T699 PolarHBondContact OG-OG1 3.31Å; S696-I700 WeakPolarHBondContact O-CG1 3.32Å; S696-I700 PolarHBondContact O-N 3.15Å
697	D	87	Confident	86.7	Confident	65 Å²	65	37 Å²	37	35%	0.348	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-36.6	-177.9	-62.2	-11	0	0	0	111.7	I700 V701 K771 Y773 L774	D697-I700 PolarHBondContact O-N 3.14Å; D697-V701 WeakPolarHBondContact O-CG2 3.25Å; D697-V701 PolarHBondContact O-N 2.85Å; D697-K771 WeakPolarHBondContact OD1-CD 3.5Å; D697-K771 WeakPolarHBondContact OD1-CE 2.97Å; D697-K771 IonicContact OD1-NZ 3.38Å; D697-K771 PolarHBondContact OD1-NZ 3.26Å; D697-Y773 PolarHBondContact OD2-OH 2.91Å; D697-L774 HydrophobicContact CB-CD1 4Å; D697-L774 HydrophobicContact CB-CD2 4.01Å
698	A	86.1	Confident	86.8	Confident	59 Å²	59	37 Å²	37	49%	0.488	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-46.3	176.1	0	0	0	0	0	111.7	S696 I700 V701 N702	S696-A698 VanDerWaalsContact C-N 3.27Å; S696-A698 PolarHBondContact O-N 2.84Å; A698-I700 VanDerWaalsContact C-N 3.34Å; A698-I700 PolarHBondContact O-N 3.17Å; A698-V701 PolarHBondContact O-N 3.44Å; A698-N702 VanDerWaalsContact O-CB 3.26Å; A698-N702 WeakPolarHBondContact O-CB 3.49Å; A698-N702 VanDerWaalsContact O-CG 3.24Å; A698-N702 PolarHBondContact O-N 3.03Å; A698-N702 PolarHBondContact O-ND2 3.39Å; A698-N702 VanDerWaalsContact O-ND2 3.11Å
699	T	87.5	Confident	86.7	Confident	16 Å²	16	38 Å²	38	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-39	177.4	-53.1	0	0	0	0	111.2	E662 L666 S696 D703 V704	E662-T699 HydrophobicContact CB-CG2 4.36Å; E662-T699 HydrophobicContact CG-CG2 4.1Å; E662-T699 PolarHBondContact OE1-OG1 2.87Å; L666-T699 HydrophobicContact CD2-CG2 3.43Å; L666-T699 VanDerWaalsContact CD2-CG2 3.43Å; S696-T699 PolarHBondContact O-N 3.35Å; S696-T699 PolarHBondContact OG-N 3.17Å; S696-T699 PolarHBondContact OG-OG1 3.31Å; T699-D703 HydrophobicContact CG2-CB 4.19Å; T699-D703 WeakPolarHBondContact O-CA 3.26Å; T699-D703 VanDerWaalsContact O-CB 3.23Å; T699-D703 WeakPolarHBondContact O-CB 3.47Å; T699-D703 PolarHBondContact O-N 3.25Å; T699-V704 PolarHBondContact O-N 3.42Å
700	I	86.5	Confident	86.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.	I	π-helix	trans	-63.9	-47.3	178.7	-69	170.7	0	0	0	111.2	L695 S696 D697 A698 V704 I705 L767 K771 L774	L695-I700 HydrophobicContact CB-CD1 4.14Å; L695-I700 HydrophobicContact CB-CG1 3.89Å; S696-I700 WeakPolarHBondContact O-CG1 3.32Å; S696-I700 PolarHBondContact O-N 3.15Å; D697-I700 PolarHBondContact O-N 3.14Å; A698-I700 VanDerWaalsContact C-N 3.34Å; A698-I700 PolarHBondContact O-N 3.17Å; I700-V704 HydrophobicContact CG1-CG2 4.4Å; I700-V704 PolarHBondContact O-N 3.04Å; I700-I705 HydrophobicContact CG2-CD1 4.42Å; I700-I705 HydrophobicContact CG2-CG1 4.32Å; I700-I705 WeakPolarHBondContact O-CG1 3.4Å; I700-I705 PolarHBondContact O-N 3.04Å; I700-L767 HydrophobicContact CD1-CD2 4.38Å; I700-L767 HydrophobicContact CG2-CD2 3.59Å; I700-K771 HydrophobicContact CD1-CD 3.56Å; I700-K771 VanDerWaalsContact CD1-NZ 3.28Å; I700-L774 HydrophobicContact CB-CD1 4.25Å; I700-L774 HydrophobicContact CD1-CD1 4.45Å; I700-L774 HydrophobicContact CG2-CD1 4.03Å
701	V	86	Confident	86.7	Confident	63 Å²	63	39.1 Å²	39.1	38%	0.382	22%	0.219	S	C	.	.	I	π-helix	trans	-67.5	-45.4	-178.8	173.9	0	0	0	0	111.7	D697 A698 P706 L774	D697-V701 WeakPolarHBondContact O-CG2 3.25Å; D697-V701 PolarHBondContact O-N 2.85Å; A698-V701 PolarHBondContact O-N 3.44Å; V701-P706 WeakPolarHBondContact O-CD 3.31Å; V701-L774 HydrophobicContact CG2-CB 4.27Å; V701-L774 HydrophobicContact CG2-CD1 4.43Å; V701-L774 HydrophobicContact CG2-CD2 4.06Å; V701-L774 HydrophobicContact CG2-CG 4.49Å
702	N	87.1	Confident	86.6	Confident	110 Å²	110	39.3 Å²	39.3	59%	0.588	22%	0.22	S	C	*	.	I	π-helix	trans	-84.1	-32.4	-172.1	-63.8	-30.7	0	0	0	113.4	A698 P706	A698-N702 VanDerWaalsContact O-CB 3.26Å; A698-N702 WeakPolarHBondContact O-CB 3.49Å; A698-N702 VanDerWaalsContact O-CG 3.24Å; A698-N702 PolarHBondContact O-N 3.03Å; A698-N702 PolarHBondContact O-ND2 3.39Å; A698-N702 VanDerWaalsContact O-ND2 3.11Å; N702-P706 WeakPolarHBondContact O-CG 3.44Å
703	D	87.5	Confident	86.3	Confident	64 Å²	64	42.7 Å²	42.7	34%	0.342	24%	0.238	S	C	.	.	I	π-helix	trans	-116.2	-42.4	-170	-74.5	-60.5	0	0	0	113.9	L666 K670 T699 F707	L666-D703 HydrophobicContact CD2-CB 3.89Å; K670-D703 VanDerWaalsContact NZ-CB 3.31Å; K670-D703 IonicContact NZ-OD1 2.69Å; K670-D703 PolarHBondContact NZ-OD1 3.44Å; T699-D703 HydrophobicContact CG2-CB 4.19Å; T699-D703 WeakPolarHBondContact O-CA 3.26Å; T699-D703 VanDerWaalsContact O-CB 3.23Å; T699-D703 WeakPolarHBondContact O-CB 3.47Å; T699-D703 PolarHBondContact O-N 3.25Å; D703-F707 WeakPolarHBondContact O-CB 3.46Å; D703-F707 PolarHBondContact O-N 3.1Å
704	V	89.1	Confident	85.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-83.3	-47.4	-171.6	-176.2	0	0	0	0	112	L666 L688 L692 L695 T699 I700 F707 L708	L666-V704 HydrophobicContact CD1-CG2 4.15Å; L666-V704 HydrophobicContact CD2-CG2 4.22Å; L688-V704 HydrophobicContact CD1-CG1 4.08Å; L688-V704 HydrophobicContact CD1-CG2 4.46Å; L688-V704 HydrophobicContact CD2-CG1 4.13Å; L688-V704 HydrophobicContact CG-CG1 4.45Å; L692-V704 HydrophobicContact CD2-CG1 3.67Å; L695-V704 HydrophobicContact CD1-CG2 3.8Å; T699-V704 PolarHBondContact O-N 3.42Å; I700-V704 HydrophobicContact CG1-CG2 4.4Å; I700-V704 PolarHBondContact O-N 3.04Å; V704-F707 WeakPolarHBondContact O-CB 3.4Å; V704-F707 PolarHBondContact O-N 3.49Å; V704-F707 VanDerWaalsContact O-N 3.17Å; V704-L708 HydrophobicContact CG1-CD1 4.1Å; V704-L708 HydrophobicContact CG1-CG 4.19Å; V704-L708 WeakPolarHBondContact O-CG 3.34Å; V704-L708 PolarHBondContact O-N 3.11Å
705	I	88.4	Confident	85.5	Confident	10 Å²	10	37 Å²	37	5%	0.051	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-50.8	178.8	-73.4	176.1	0	0	0	111	I700 F707 L708 L709 W764 L767 L775 L779	I700-I705 HydrophobicContact CG2-CD1 4.42Å; I700-I705 HydrophobicContact CG2-CG1 4.32Å; I700-I705 WeakPolarHBondContact O-CG1 3.4Å; I700-I705 PolarHBondContact O-N 3.04Å; I705-F707 VanDerWaalsContact C-N 3.25Å; I705-F707 PolarHBondContact O-N 3.5Å; I705-L708 PolarHBondContact O-N 3.19Å; I705-L709 HydrophobicContact CG2-CD1 4.25Å; I705-L709 WeakPolarHBondContact O-CG 3.32Å; I705-L709 PolarHBondContact O-N 2.93Å; I705-W764 HydrophobicContact CG2-CH2 4.43Å; I705-L767 HydrophobicContact CG1-CD1 4.47Å; I705-L775 HydrophobicContact CD1-CD2 3.71Å; I705-L775 HydrophobicContact CG1-CD2 4.28Å; I705-L779 HydrophobicContact CD1-CD2 4.36Å; I705-L779 HydrophobicContact CG2-CD2 3.73Å
706	P	87.7	Confident	84.5	Confident	66 Å²	66	40.4 Å²	40.4	43%	0.429	23%	0.228	S	C	.	.	H	α-helix	trans	-60.2	-35.8	176.3	-27	37.9	0	0	0	113	V701 N702 N710	V701-P706 WeakPolarHBondContact O-CD 3.31Å; N702-P706 WeakPolarHBondContact O-CG 3.44Å; P706-N710 PolarHBondContact O-N 3.38Å
707	F	89.3	Confident	82.9	Confident	18 Å²	18	43.1 Å²	43.1	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-48.3	176	173	-106.1	0	0	0	112.3	I669 K670 F673 L685 L688 D703 V704 I705 L709 N710 V711	I669-F707 HydrophobicContact CG2-CE1 4.09Å; I669-F707 HydrophobicContact CG2-CZ 4.19Å; K670-F707 HydrophobicContact CB-CD2 4.45Å; K670-F707 HydrophobicContact CB-CE2 4.36Å; K670-F707 HydrophobicContact CG-CD2 3.83Å; K670-F707 HydrophobicContact CG-CE2 4.11Å; K670-F707 HydrophobicContact CG-CG 4.23Å; F673-F707 HydrophobicContact CB-CE2 3.88Å; F673-F707 HydrophobicContact CB-CZ 3.7Å; F673-F707 HydrophobicContact CD1-CE2 4.35Å; F673-F707 HydrophobicContact CD1-CZ 4.48Å; F673-F707 HydrophobicContact CD2-CZ 4.38Å; F673-F707 HydrophobicContact CG-CE2 4.17Å; F673-F707 AromaticContact CG-CZ 3.93Å; F673-F707 HydrophobicContact CG-CZ 3.93Å; L685-F707 HydrophobicContact CD2-CE1 4.27Å; L688-F707 HydrophobicContact CD2-CD1 3.81Å; L688-F707 HydrophobicContact CD2-CE1 3.74Å; D703-F707 WeakPolarHBondContact O-CB 3.46Å; D703-F707 PolarHBondContact O-N 3.1Å; V704-F707 WeakPolarHBondContact O-CB 3.4Å; V704-F707 PolarHBondContact O-N 3.49Å; V704-F707 VanDerWaalsContact O-N 3.17Å; I705-F707 VanDerWaalsContact C-N 3.25Å; I705-F707 PolarHBondContact O-N 3.5Å; F707-L709 VanDerWaalsContact C-N 3.29Å; F707-L709 PolarHBondContact O-N 3.29Å; F707-N710 WeakPolarHBondContact O-CB 3.19Å; F707-N710 PolarHBondContact O-N 3.43Å; F707-N710 VanDerWaalsContact O-N 3.13Å; F707-V711 HydrophobicContact CD1-CG2 4.36Å; 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 3.35Å; F707-V711 PolarHBondContact O-N 3.3Å
708	L	88.9	Confident	81.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-34.6	178.3	-68.1	178.7	0	0	0	112.5	L685 L688 V704 I705 V711 S712 L760 A763 W764 L767	L685-L708 HydrophobicContact CD2-CD2 4.48Å; L688-L708 HydrophobicContact CD2-CD2 3.71Å; L688-L708 HydrophobicContact CD2-CG 4.4Å; V704-L708 HydrophobicContact CG1-CD1 4.1Å; V704-L708 HydrophobicContact CG1-CG 4.19Å; V704-L708 WeakPolarHBondContact O-CG 3.34Å; V704-L708 PolarHBondContact O-N 3.11Å; I705-L708 PolarHBondContact O-N 3.19Å; L708-V711 PolarHBondContact O-N 3.06Å; L708-S712 PolarHBondContact O-N 3.46Å; L708-L760 HydrophobicContact CB-CD1 4.24Å; L708-L760 HydrophobicContact CD2-CD1 3.95Å; L708-A763 HydrophobicContact CD1-CB 4.04Å; L708-A763 HydrophobicContact CD2-CB 3.91Å; L708-W764 HydrophobicContact CB-CH2 3.94Å; L708-W764 HydrophobicContact CB-CZ2 3.46Å; L708-W764 VanDerWaalsContact CB-CZ2 3.46Å; L708-W764 HydrophobicContact CD1-CD2 4.31Å; L708-W764 HydrophobicContact CD1-CE3 4.35Å; L708-W764 HydrophobicContact CD1-CH2 4.23Å; L708-W764 HydrophobicContact CD1-CZ2 4.19Å; L708-W764 HydrophobicContact CD1-CZ3 4.3Å; L708-W764 HydrophobicContact CG-CZ2 4.49Å; L708-L767 HydrophobicContact CD1-CD1 3.75Å
709	L	86.1	Confident	79.8	Confident	22 Å²	22	44 Å²	44	12%	0.115	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-42.7	172.8	-69.7	176.8	0	0	0	111.8	I705 F707 V711 S712 N713 W764 L779 E783 I784	I705-L709 HydrophobicContact CG2-CD1 4.25Å; I705-L709 WeakPolarHBondContact O-CG 3.32Å; I705-L709 PolarHBondContact O-N 2.93Å; F707-L709 VanDerWaalsContact C-N 3.29Å; F707-L709 PolarHBondContact O-N 3.29Å; L709-V711 VanDerWaalsContact C-N 3.34Å; L709-V711 PolarHBondContact O-N 2.97Å; L709-S712 WeakPolarHBondContact O-CB 3.18Å; L709-S712 PolarHBondContact O-N 3.35Å; L709-N713 PolarHBondContact O-N 3.08Å; L709-N713 PolarHBondContact O-ND2 2.86Å; L709-W764 HydrophobicContact CD2-CH2 4.25Å; L709-W764 HydrophobicContact CD2-CZ2 3.97Å; L709-W764 HydrophobicContact CG-CH2 4.35Å; L709-W764 HydrophobicContact CG-CZ2 4.3Å; L709-L779 HydrophobicContact CD1-CD1 4.14Å; L709-E783 HydrophobicContact CD1-CB 4.06Å; L709-E783 HydrophobicContact CD1-CG 4.35Å; L709-E783 HydrophobicContact CD2-CB 3.69Å; L709-I784 HydrophobicContact CD2-CG1 3.88Å
710	N	86.1	Confident	77.8	Confident	77 Å²	77	47.9 Å²	47.9	41%	0.412	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-45.2	173.8	-173	65.3	0	0	0	111.6	P706 F707 S712 N713 E714	P706-N710 PolarHBondContact O-N 3.38Å; F707-N710 WeakPolarHBondContact O-CB 3.19Å; F707-N710 PolarHBondContact O-N 3.43Å; F707-N710 VanDerWaalsContact O-N 3.13Å; N710-S712 VanDerWaalsContact C-N 3.33Å; N710-S712 PolarHBondContact O-N 3.41Å; N710-N713 PolarHBondContact O-N 2.63Å; N710-N713 VanDerWaalsContact O-N 3.13Å; N710-E714 PolarHBondContact ND2-OE1 3.36Å; N710-E714 PolarHBondContact O-N 2.73Å
711	V	84.7	Confident	75.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-46.5	175	170.9	0	0	0	0	111.1	F673 L685 F707 L708 L709 N713 E714 L715 L760	F673-V711 HydrophobicContact CD1-CG2 3.89Å; F673-V711 HydrophobicContact CD2-CG2 4.12Å; F673-V711 HydrophobicContact CE1-CB 4.17Å; F673-V711 HydrophobicContact CE1-CG1 4.27Å; F673-V711 HydrophobicContact CE1-CG2 3.64Å; F673-V711 HydrophobicContact CE2-CB 4.41Å; F673-V711 HydrophobicContact CE2-CG1 3.8Å; F673-V711 HydrophobicContact CE2-CG2 3.89Å; F673-V711 HydrophobicContact CG-CG2 4.14Å; F673-V711 HydrophobicContact CZ-CB 3.95Å; F673-V711 HydrophobicContact CZ-CG1 3.54Å; F673-V711 HydrophobicContact CZ-CG2 3.67Å; L685-V711 HydrophobicContact CD1-CG1 4.24Å; L685-V711 HydrophobicContact CD2-CG1 4.26Å; L685-V711 HydrophobicContact CD2-CG2 4.28Å; F707-V711 HydrophobicContact CD1-CG2 4.36Å; 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 3.35Å; F707-V711 PolarHBondContact O-N 3.3Å; L708-V711 PolarHBondContact O-N 3.06Å; L709-V711 VanDerWaalsContact C-N 3.34Å; L709-V711 PolarHBondContact O-N 2.97Å; V711-N713 VanDerWaalsContact C-N 3.28Å; V711-N713 PolarHBondContact O-N 3.05Å; V711-E714 PolarHBondContact O-N 3.04Å; V711-L715 HydrophobicContact CG1-CD1 4.02Å; V711-L715 WeakPolarHBondContact O-CG 3.34Å; V711-L715 PolarHBondContact O-N 2.72Å; V711-L760 HydrophobicContact CB-CD1 4.33Å; V711-L760 HydrophobicContact CG1-CD1 3.95Å; V711-L760 HydrophobicContact CG1-CD2 4.33Å
712	S	82.4	Confident	73.1	Confident	3 Å²	3	56 Å²	56	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-38.7	177.5	-167.3	0	0	0	0	112.2	L708 L709 N710 K716 G787	L708-S712 PolarHBondContact O-N 3.46Å; L709-S712 WeakPolarHBondContact O-CB 3.18Å; L709-S712 PolarHBondContact O-N 3.35Å; N710-S712 VanDerWaalsContact C-N 3.33Å; N710-S712 PolarHBondContact O-N 3.41Å; S712-K716 WeakPolarHBondContact O-CB 3.39Å; S712-K716 PolarHBondContact O-N 3.19Å; S712-K716 VanDerWaalsContact O-N 3.16Å; S712-G787 PolarHBondContact OG-O 2.92Å
713	N	79.7	Confident	70.2	Confident	71 Å²	71	59.1 Å²	59.1	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-71.6	-40.8	179.1	-73.4	-35.1	0	0	0	112.5	L709 N710 V711 K716 L717	L709-N713 PolarHBondContact O-N 3.08Å; L709-N713 PolarHBondContact O-ND2 2.86Å; N710-N713 PolarHBondContact O-N 2.63Å; N710-N713 VanDerWaalsContact O-N 3.13Å; V711-N713 VanDerWaalsContact C-N 3.28Å; V711-N713 PolarHBondContact O-N 3.05Å; N713-K716 WeakPolarHBondContact O-CB 3.46Å; N713-K716 PolarHBondContact O-N 3.28Å; N713-L717 WeakPolarHBondContact O-CG 2.97Å; N713-L717 PolarHBondContact O-N 3.29Å; N713-L717 VanDerWaalsContact O-N 3.08Å
714	E	76.4	Confident	67.5	Low	67 Å²	67	61.2 Å²	61.2	31%	0.313	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-41.2	175.9	-74.4	-172.9	-160.3	0	0	112	F673 N710 V711 K716 L717 N718	F673-E714 WeakPolarHBondContact CE1-OE2 3.46Å; N710-E714 PolarHBondContact ND2-OE1 3.36Å; N710-E714 PolarHBondContact O-N 2.73Å; V711-E714 PolarHBondContact O-N 3.04Å; E714-K716 VanDerWaalsContact C-N 3.29Å; E714-K716 PolarHBondContact O-N 3.49Å; E714-L717 PolarHBondContact O-N 3.03Å; E714-N718 PolarHBondContact O-N 2.74Å
715	L	73.7	Confident	64.5	Low	17 Å²	17	67.6 Å²	67.6	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-34.1	175.6	-67	173.9	0	0	0	112.3	V711 N718 P756 I757 L760	V711-L715 HydrophobicContact CG1-CD1 4.02Å; V711-L715 WeakPolarHBondContact O-CG 3.34Å; V711-L715 PolarHBondContact O-N 2.72Å; L715-N718 PolarHBondContact O-N 3.32Å; L715-P756 HydrophobicContact CD1-CB 4.16Å; L715-P756 HydrophobicContact CD2-CB 3.93Å; L715-P756 HydrophobicContact CD2-CG 4.34Å; L715-I757 HydrophobicContact CD1-CG1 3.96Å; L715-L760 HydrophobicContact CD1-CD2 4.01Å
716	K	66.1	Low	61.6	Low	75 Å²	75	74.3 Å²	74.3	33%	0.326	40%	0.396	S	S	.	.	H	α-helix	trans	-66.5	-37.5	173.9	-174.5	176.1	-179.9	171.8	0	112.5	S712 N713 E714 I719 P790	S712-K716 WeakPolarHBondContact O-CB 3.39Å; S712-K716 PolarHBondContact O-N 3.19Å; S712-K716 VanDerWaalsContact O-N 3.16Å; N713-K716 WeakPolarHBondContact O-CB 3.46Å; N713-K716 PolarHBondContact O-N 3.28Å; E714-K716 VanDerWaalsContact C-N 3.29Å; E714-K716 PolarHBondContact O-N 3.49Å; K716-I719 PolarHBondContact O-N 3.23Å; K716-P790 HydrophobicContact CD-CG 4.15Å; K716-P790 HydrophobicContact CG-CG 4.36Å
717	L	54.3	Low	58.8	Low	102 Å²	102	80 Å²	80	53%	0.534	41%	0.414	S	S	.	.	H	α-helix	trans	-67.8	-34.8	177.1	-70.4	173.8	0	0	0	112.4	N713 E714 I719 N720 N721	N713-L717 WeakPolarHBondContact O-CG 2.97Å; N713-L717 PolarHBondContact O-N 3.29Å; N713-L717 VanDerWaalsContact O-N 3.08Å; E714-L717 PolarHBondContact O-N 3.03Å; L717-I719 PolarHBondContact O-N 2.79Å; L717-N720 PolarHBondContact O-N 2.73Å; L717-N721 PolarHBondContact O-N 2.89Å; L717-N721 VanDerWaalsContact O-N 3.12Å
718	N	56.5	Low	55.9	Low	92 Å²	92	89.6 Å²	89.6	49%	0.492	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-24.6	176.1	-77.2	-17.2	0	0	0	113.5	E714 L715 N722	E714-N718 PolarHBondContact O-N 2.74Å; L715-N718 PolarHBondContact O-N 3.32Å; N718-N722 PolarHBondContact O-ND2 2.83Å
719	I	52.9	Low	53	Low	52 Å²	52	95.9 Å²	95.9	27%	0.267	49%	0.489	S	S	.	.	H	α-helix	trans	-70.7	-40.5	171	-63.6	173.4	0	0	0	110.6	K716 L717 H791 D794	K716-I719 PolarHBondContact O-N 3.23Å; L717-I719 PolarHBondContact O-N 2.79Å; I719-H791 VanDerWaalsContact CD1-CE1 3.46Å; I719-H791 WeakPolarHBondContact CD1-CE1 3.48Å; I719-H791 WeakPolarHBondContact CD1-ND1 3.46Å; I719-D794 HydrophobicContact CD1-CB 4.42Å
720	N	44.3	Very low	50.1	Low	96 Å²	96	102.8 Å²	102.8	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-76.4	-29.4	-173.9	-68.4	-31.5	0	0	0	114	L717 N722	L717-N720 PolarHBondContact O-N 2.73Å; N720-N722 PolarHBondContact O-N 3.43Å
721	N	41.3	Very low	47.1	Very low	125 Å²	125	105.5 Å²	105.5	67%	0.668	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.1	-178.9	-72.7	-14.4	0	0	0	114	L717 K723	L717-N721 PolarHBondContact O-N 2.89Å; L717-N721 VanDerWaalsContact O-N 3.12Å; N721-K723 PolarHBondContact O-N 3.12Å
722	N	32	Very low	44.3	Very low	110 Å²	110	114.8 Å²	114.8	59%	0.588	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	22.1	177	-75.2	-37.4	0	0	0	114.1	N718 N720 K796	N718-N722 PolarHBondContact O-ND2 2.83Å; N720-N722 PolarHBondContact O-N 3.43Å; N722-K796 PolarHBondContact ND2-NZ 3.33Å
723	K	27	Very low	41.6	Very low	174 Å²	174	121.6 Å²	121.6	76%	0.757	61%	0.612	S	S	*	*	S	Bend	trans	-72.7	132.2	169	-79.2	-174	177.1	-178.8	0	109.3	N721 T725	N721-K723 PolarHBondContact O-N 3.12Å; K723-T725 PolarHBondContact O-N 3.47Å
724	P	30.5	Very low	39.1	Very low	109 Å²	109	125.4 Å²	125.4	71%	0.708	63%	0.631	S	S	*	*			trans	-64.9	114.7	-170.5	27.6	-32.4	0	0	0	108.9	D726	P724-D726 VanDerWaalsContact C-N 3.29Å; P724-D726 PolarHBondContact O-N 3.31Å
725	T	27.5	Very low	36.6	Very low	133 Å²	133	129 Å²	129	82%	0.816	65%	0.653	S	S	*	*			trans	-74.7	87.4	172.5	47.7	0	0	0	0	108.6	K723 K727	K723-T725 PolarHBondContact O-N 3.47Å; T725-K727 VanDerWaalsContact C-N 3.27Å; T725-K727 PolarHBondContact O-N 2.94Å
726	D	27.5	Very low	34.4	Very low	151 Å²	151	134.2 Å²	134.2	81%	0.807	69%	0.686	S	S	*	*			trans	-64.6	85.4	161.9	-79.6	-32.9	0	0	0	109.2	P724	P724-D726 VanDerWaalsContact C-N 3.29Å; P724-D726 PolarHBondContact O-N 3.31Å
727	K	28.3	Very low	32.5	Very low	185 Å²	185	136.9 Å²	136.9	80%	0.804	71%	0.708	S	S	*	*			trans	-142.2	101	162.8	-74.9	-165.8	178	176.4	0	111	T725	T725-K727 VanDerWaalsContact C-N 3.27Å; T725-K727 PolarHBondContact O-N 2.94Å
728	Y	28.2	Very low	31.1	Very low	220 Å²	220	136.5 Å²	136.5	86%	0.863	71%	0.706	S	S	*	*			trans	42.7	94.7	149.6	-71.5	-87.8	0	0	0	116.9	Q730	Y728-Q730 PolarHBondContact O-N 3.13Å; Y728-Q730 VanDerWaalsContact O-N 3.14Å
729	V	27.1	Very low	29.7	Very low	133 Å²	133	140.1 Å²	140.1	81%	0.806	73%	0.725	S	S	*	*			trans	-58.1	107.9	156.6	179.5	0	0	0	0	107.8
730	Q	25.6	Very low	28.4	Very low	166 Å²	166	144.4 Å²	144.4	78%	0.776	74%	0.742	S	S	*	*			trans	-112.1	114.9	160.3	-105.6	174.6	-14.5	0	0	107.4	Y728 F732	Y728-Q730 PolarHBondContact O-N 3.13Å; Y728-Q730 VanDerWaalsContact O-N 3.14Å; Q730-F732 PolarHBondContact O-N 3.39Å
731	D	23.8	Very low	27.4	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	75%	0.749	S	S	*	*			trans	-54.5	119.3	-176.6	-59.1	-50.7	0	0	0	112.1
732	F	26	Very low	26.8	Very low	195 Å²	195	149 Å²	149	86%	0.855	76%	0.762	S	S	*	*			trans	-125.1	93.3	155.3	-78.3	-76.7	0	0	0	108.3	Q730 I734	Q730-F732 PolarHBondContact O-N 3.39Å; F732-I734 PolarHBondContact O-N 2.88Å
733	N	24.2	Very low	26.5	Very low	145 Å²	145	151 Å²	151	78%	0.775	77%	0.772	S	S	*	*			trans	-56.7	120.5	161.5	-87.5	-19.7	0	0	0	109.8
734	I	28.7	Very low	26.5	Very low	152 Å²	152	151.3 Å²	151.3	78%	0.779	78%	0.776	S	S	*	*			trans	-134.7	102.1	148.2	-61	-178.4	0	0	0	106.6	F732	F732-I734 PolarHBondContact O-N 2.88Å
735	D	23.9	Very low	26.1	Very low	142 Å²	142	154.5 Å²	154.5	76%	0.759	78%	0.781	S	S	*	*			trans	-58.3	128.3	164.3	-70.6	-54.7	0	0	0	110.2
736	T	27.4	Very low	26	Very low	127 Å²	127	155 Å²	155	78%	0.779	78%	0.779	S	S	*	*			trans	-161.5	104.8	143.6	35	0	0	0	0	112.2
737	V	25.5	Very low	25.8	Very low	130 Å²	130	156.7 Å²	156.7	79%	0.788	78%	0.782	S	S	*	*			trans	62.9	107.9	133.9	-166.5	0	0	0	0	119.6
738	D	24.5	Very low	25.6	Very low	95 Å²	95	154.1 Å²	154.1	51%	0.508	78%	0.782	S	S	.	*			trans	-47.2	124	157.2	-78.1	-60.1	0	0	0	112.6	K959	D738-K959 IonicContact OD2-NZ 3.42Å; D738-K959 PolarHBondContact OD2-NZ 3.12Å
739	D	28.1	Very low	25.5	Very low	167 Å²	167	151.4 Å²	151.4	89%	0.893	78%	0.777	S	S	*	*			trans	-131.2	104.2	149.5	-99.2	-28.1	0	0	0	108.7
740	K	25.3	Very low	25.5	Very low	143 Å²	143	150.1 Å²	150.1	62%	0.622	77%	0.774	S	S	*	*			trans	-91.6	151	177.3	-71.7	-178.1	174.3	-178.3	0	109.9
741	A	23.8	Very low	25.6	Very low	79 Å²	79	149 Å²	149	65%	0.653	77%	0.774	S	S	*	*			trans	85.9	93.8	156.7	0	0	0	0	0	117.7
742	Y	27.9	Very low	26	Very low	238 Å²	238	152 Å²	152	93%	0.933	78%	0.775	S	S	*	*			trans	-129	116.6	137.7	-86.9	-81.1	0	0	0	108.6
743	D	26.7	Very low	26.6	Very low	151 Å²	151	146.9 Å²	146.9	81%	0.807	76%	0.759	S	S	*	*			trans	-66.6	142.6	-177.1	-83.7	-44.9	0	0	0	112.8	H745	D743-H745 PolarHBondContact O-N 2.84Å
744	E	25.7	Very low	27.9	Very low	181 Å²	181	145.1 Å²	145.1	85%	0.846	75%	0.746	S	S	*	*			trans	-63.6	115.1	177	-62.6	173.8	148.6	0	0	111.7
745	H	23.5	Very low	29.6	Very low	176 Å²	176	140.5 Å²	140.5	82%	0.815	72%	0.721	S	S	*	*			trans	-135.4	128.9	158.5	-87.9	-69.1	0	0	0	110.3	D743	D743-H745 PolarHBondContact O-N 2.84Å
746	D	24.1	Very low	31.9	Very low	143 Å²	143	134.2 Å²	134.2	77%	0.765	69%	0.688	S	S	*	*			trans	71.8	64.8	169	-68.2	-21	0	0	0	119.2
747	Q	24.1	Very low	34.4	Very low	187 Å²	187	128.8 Å²	128.8	87%	0.874	65%	0.654	S	S	*	*			trans	-98.4	77.3	151.1	-67	-173.4	15.2	0	0	110.6
748	T	24.7	Very low	37.2	Very low	131 Å²	131	122.7 Å²	122.7	80%	0.804	62%	0.618	S	S	*	*			trans	-113.2	42.2	162.2	53.4	0	0	0	0	111.4
749	Q	25.5	Very low	40	Very low	163 Å²	163	119 Å²	119	76%	0.762	60%	0.598	S	S	*	*	S	Bend	trans	-133	110	151.6	-71.2	-176.1	2.3	0	0	105.3	N751	Q749-N751 PolarHBondContact O-N 3.02Å
750	S	26.9	Very low	42.7	Very low	106 Å²	106	111 Å²	111	74%	0.741	56%	0.555	S	S	*	*			trans	-66.4	86	-176.7	61.5	0	0	0	0	109.7	R752	S750-R752 PolarHBondContact O-N 3.24Å
751	N	28	Very low	45.6	Very low	144 Å²	144	104.2 Å²	104.2	77%	0.77	53%	0.525	S	S	*	.			trans	-70.5	49.6	161.3	-74.1	-19.5	0	0	0	109.4	Q749 V753	Q749-N751 PolarHBondContact O-N 3.02Å; N751-V753 VanDerWaalsContact C-N 3.35Å; N751-V753 PolarHBondContact O-N 3.17Å
752	R	31.8	Very low	48.6	Very low	198 Å²	198	102.6 Å²	102.6	75%	0.747	51%	0.506	S	S	*	.			trans	-63.3	107	162.8	-82.1	-173.5	-178.6	-172.3	1.4	104.3	S750 E754	S750-R752 PolarHBondContact O-N 3.24Å; R752-E754 PolarHBondContact O-N 3.16Å
753	V	38.8	Very low	51.5	Low	87 Å²	87	91.3 Å²	91.3	53%	0.527	46%	0.462	S	S	.	.			trans	-60	90.5	174.1	-176.5	0	0	0	0	106.4	L682 N751 Q755	L682-V753 HydrophobicContact CD1-CG1 3.84Å; N751-V753 VanDerWaalsContact C-N 3.35Å; N751-V753 PolarHBondContact O-N 3.17Å; V753-Q755 PolarHBondContact O-N 3.38Å
754	E	50.3	Low	54.5	Low	107 Å²	107	84.2 Å²	84.2	50%	0.5	42%	0.423	S	S	.	.			trans	-58.9	129	171.2	-64	-167.5	173.1	0	0	106.7	L682 R752	L682-E754 WeakPolarHBondContact CD1-O 3.19Å; L682-E754 WeakPolarHBondContact CD2-O 3.4Å; R752-E754 PolarHBondContact O-N 3.16Å
755	Q	65.1	Low	57.4	Low	55 Å²	55	77.9 Å²	77.9	26%	0.257	39%	0.393	S	S	.	.			trans	-73.5	154.4	-176.1	-66.4	-179.1	13.5	0	0	111.2	V753 I757 S758 E801	V753-Q755 PolarHBondContact O-N 3.38Å; Q755-I757 PolarHBondContact O-N 3.34Å; Q755-S758 WeakPolarHBondContact O-CB 3.43Å; Q755-S758 PolarHBondContact O-N 2.65Å; Q755-E801 VanDerWaalsContact CB-OE1 3.27Å; Q755-E801 WeakPolarHBondContact CB-OE1 3.48Å; Q755-E801 VanDerWaalsContact CG-OE1 3.28Å; Q755-E801 WeakPolarHBondContact CG-OE1 3.3Å; Q755-E801 PolarHBondContact N-OE1 2.93Å; Q755-E801 VanDerWaalsContact N-OE1 3.15Å
756	P	72.3	Confident	60.5	Low	10 Å²	10	72.4 Å²	72.4	7%	0.065	37%	0.368	C	S	.	.	H	α-helix	trans	-54.4	-22.8	-176.9	-27.5	33.9	0	0	0	115	Q678 L682 L685 L715 S758 E759 L760	Q678-P756 HydrophobicContact CG-CG 4.47Å; L682-P756 HydrophobicContact CD2-CB 4.27Å; L682-P756 HydrophobicContact CD2-CG 4Å; L682-P756 HydrophobicContact CG-CG 4.22Å; L685-P756 HydrophobicContact CD1-CB 4.07Å; L715-P756 HydrophobicContact CD1-CB 4.16Å; L715-P756 HydrophobicContact CD2-CB 3.93Å; L715-P756 HydrophobicContact CD2-CG 4.34Å; P756-S758 VanDerWaalsContact C-N 3.34Å; P756-E759 PolarHBondContact O-N 3.44Å; P756-L760 WeakPolarHBondContact O-CB 3.32Å; P756-L760 PolarHBondContact O-N 2.97Å
757	I	80.5	Confident	63.5	Low	13 Å²	13	65.6 Å²	65.6	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-37.3	178	-60.9	159.4	0	0	0	111.6	L715 Q755 L760 C761 H791	L715-I757 HydrophobicContact CD1-CG1 3.96Å; Q755-I757 PolarHBondContact O-N 3.34Å; I757-L760 PolarHBondContact O-N 3.3Å; I757-C761 WeakPolarHBondContact O-CB 3.5Å; I757-C761 PolarHBondContact O-N 3.1Å; I757-C761 PolarHBondContact O-SG 2.87Å; I757-H791 VanDerWaalsContact CD1-ND1 3.25Å; I757-H791 WeakPolarHBondContact CD1-ND1 3.42Å; I757-H791 HydrophobicContact CG2-CB 4.46Å
758	S	82.9	Confident	66.5	Low	3 Å²	3	57.2 Å²	57.2	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-48.1	178.2	-172.5	0	0	0	0	110.5	Q755 P756 C761 N762 I804	Q755-S758 WeakPolarHBondContact O-CB 3.43Å; Q755-S758 PolarHBondContact O-N 2.65Å; P756-S758 VanDerWaalsContact C-N 3.34Å; S758-C761 WeakPolarHBondContact O-CB 3.32Å; S758-C761 PolarHBondContact O-N 3.39Å; S758-N762 VanDerWaalsContact O-CG 3.26Å; S758-N762 PolarHBondContact O-N 3.25Å; S758-N762 PolarHBondContact O-ND2 3.4Å; S758-I804 VanDerWaalsContact OG-CD1 3.26Å; S758-I804 WeakPolarHBondContact OG-CD1 3.36Å
759	E	83.6	Confident	69.4	Low	17 Å²	17	60.6 Å²	60.6	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-71.7	-34.7	179.7	-66.3	-65.8	-169.4	0	0	113.1	L685 H686 P756 C761 N762 A763	L685-E759 HydrophobicContact CB-CB 3.81Å; L685-E759 HydrophobicContact CD1-CB 4.44Å; H686-E759 IonicContact CE1-OE1 2.66Å; H686-E759 IonicContact CG-OE1 3.58Å; H686-E759 IonicContact ND1-OE1 2.71Å; H686-E759 PolarHBondContact ND1-OE1 3.14Å; H686-E759 IonicContact ND1-OE2 2.69Å; P756-E759 PolarHBondContact O-N 3.44Å; E759-C761 VanDerWaalsContact C-N 3.29Å; E759-C761 PolarHBondContact O-N 2.92Å; E759-N762 PolarHBondContact O-N 2.91Å; E759-N762 PolarHBondContact OE2-ND2 3.01Å; E759-N762 VanDerWaalsContact OE2-ND2 3.09Å; E759-A763 PolarHBondContact O-N 3.35Å
760	L	85.8	Confident	72.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-44.7	169.6	178.5	65	0	0	0	111.1	L708 V711 L715 P756 I757 A763 W764 L788	L708-L760 HydrophobicContact CB-CD1 4.24Å; L708-L760 HydrophobicContact CD2-CD1 3.95Å; V711-L760 HydrophobicContact CB-CD1 4.33Å; V711-L760 HydrophobicContact CG1-CD1 3.95Å; V711-L760 HydrophobicContact CG1-CD2 4.33Å; L715-L760 HydrophobicContact CD1-CD2 4.01Å; P756-L760 WeakPolarHBondContact O-CB 3.32Å; P756-L760 PolarHBondContact O-N 2.97Å; I757-L760 PolarHBondContact O-N 3.3Å; L760-A763 WeakPolarHBondContact O-CB 3.49Å; L760-A763 PolarHBondContact O-N 2.84Å; L760-W764 PolarHBondContact O-N 3.37Å; L760-W764 VanDerWaalsContact O-N 3.11Å; L760-L788 HydrophobicContact CD2-CD2 3.97Å; L760-L788 HydrophobicContact CG-CD2 4.48Å
761	C	86.5	Confident	75	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-41	176.3	-78.7	0	0	0	0	112.2	I757 S758 E759 A763 W764 K765 I804 T808	I757-C761 WeakPolarHBondContact O-CB 3.5Å; I757-C761 PolarHBondContact O-N 3.1Å; I757-C761 PolarHBondContact O-SG 2.87Å; S758-C761 WeakPolarHBondContact O-CB 3.32Å; S758-C761 PolarHBondContact O-N 3.39Å; E759-C761 VanDerWaalsContact C-N 3.29Å; E759-C761 PolarHBondContact O-N 2.92Å; C761-A763 VanDerWaalsContact C-N 3.33Å; C761-W764 PolarHBondContact O-N 2.87Å; C761-K765 WeakPolarHBondContact O-CG 3.37Å; C761-K765 PolarHBondContact O-N 3.04Å; C761-I804 HydrophobicContact CB-CG2 3.68Å; C761-T808 HydrophobicContact CB-CG2 4.39Å; C761-T808 VanDerWaalsContact CB-OG1 3.3Å; C761-T808 WeakPolarHBondContact CB-OG1 3.49Å
762	N	87	Confident	77.6	Confident	45 Å²	45	46.2 Å²	46.2	24%	0.241	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-39.3	175.2	-66.9	-24.3	0	0	0	111.4	V689 S758 E759 K765 Q766	V689-N762 HydrophobicContact CG1-CB 4.27Å; V689-N762 HydrophobicContact CG2-CB 4.13Å; S758-N762 VanDerWaalsContact O-CG 3.26Å; S758-N762 PolarHBondContact O-N 3.25Å; S758-N762 PolarHBondContact O-ND2 3.4Å; E759-N762 PolarHBondContact O-N 2.91Å; E759-N762 PolarHBondContact OE2-ND2 3.01Å; E759-N762 VanDerWaalsContact OE2-ND2 3.09Å; N762-K765 PolarHBondContact O-N 3.34Å; N762-Q766 WeakPolarHBondContact O-CB 3.4Å; N762-Q766 PolarHBondContact O-N 2.93Å
763	A	87.9	Confident	80.1	Confident	1 Å²	1	44 Å²	44	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-46	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 4.18Å; L708-A763 HydrophobicContact CD1-CB 4.04Å; L708-A763 HydrophobicContact CD2-CB 3.91Å; E759-A763 PolarHBondContact O-N 3.35Å; L760-A763 WeakPolarHBondContact O-CB 3.49Å; L760-A763 PolarHBondContact O-N 2.84Å; C761-A763 VanDerWaalsContact C-N 3.33Å; A763-Q766 PolarHBondContact O-N 2.82Å; A763-L767 PolarHBondContact O-N 3.18Å
764	W	89	Confident	82.2	Confident	1 Å²	1	41.3 Å²	41.3	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-44.5	175.1	-73.5	120.4	0	0	0	112.4	I705 L708 L709 L760 C761 Q766 L767 L768 L775 I784 T808	I705-W764 HydrophobicContact CG2-CH2 4.43Å; L708-W764 HydrophobicContact CB-CH2 3.94Å; L708-W764 HydrophobicContact CB-CZ2 3.46Å; L708-W764 VanDerWaalsContact CB-CZ2 3.46Å; L708-W764 HydrophobicContact CD1-CD2 4.31Å; L708-W764 HydrophobicContact CD1-CE3 4.35Å; L708-W764 HydrophobicContact CD1-CH2 4.23Å; L708-W764 HydrophobicContact CD1-CZ2 4.19Å; L708-W764 HydrophobicContact CD1-CZ3 4.3Å; L708-W764 HydrophobicContact CG-CZ2 4.49Å; L709-W764 HydrophobicContact CD2-CH2 4.25Å; L709-W764 HydrophobicContact CD2-CZ2 3.97Å; L709-W764 HydrophobicContact CG-CH2 4.35Å; L709-W764 HydrophobicContact CG-CZ2 4.3Å; L760-W764 PolarHBondContact O-N 3.37Å; L760-W764 VanDerWaalsContact O-N 3.11Å; C761-W764 PolarHBondContact O-N 2.87Å; W764-Q766 VanDerWaalsContact C-N 3.31Å; W764-Q766 PolarHBondContact O-N 2.88Å; W764-L767 HydrophobicContact CE3-CD1 3.99Å; W764-L767 HydrophobicContact CZ3-CD1 3.99Å; W764-L767 PolarHBondContact O-N 3.01Å; W764-L768 WeakPolarHBondContact O-CB 3.35Å; W764-L768 WeakPolarHBondContact O-CG 3.4Å; W764-L768 PolarHBondContact O-N 3.1Å; W764-L775 HydrophobicContact CE3-CD2 4.46Å; W764-L775 HydrophobicContact CZ3-CD2 3.88Å; W764-I784 HydrophobicContact CD2-CD1 4.49Å; W764-I784 HydrophobicContact CD2-CG2 3.88Å; W764-I784 HydrophobicContact CE3-CD1 3.85Å; W764-I784 HydrophobicContact CE3-CG1 4.47Å; W764-I784 HydrophobicContact CE3-CG2 4.24Å; W764-I784 HydrophobicContact CG-CG2 4.25Å; W764-I784 HydrophobicContact CH2-CD1 3.57Å; W764-I784 HydrophobicContact CH2-CG1 3.7Å; W764-I784 HydrophobicContact CZ2-CD1 4.22Å; W764-I784 HydrophobicContact CZ2-CG1 3.92Å; W764-I784 HydrophobicContact CZ2-CG2 4.21Å; W764-I784 HydrophobicContact CZ3-CD1 3.35Å; W764-I784 HydrophobicContact CZ3-CG1 4Å; W764-T808 HydrophobicContact CB-CG2 4.09Å
765	K	88	Confident	83.9	Confident	49 Å²	49	36.7 Å²	36.7	21%	0.213	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-42.1	174.6	-80.4	176.7	174.1	147.5	0	112.6	C761 N762 L767 L768 Y769 I804 S807 T808	C761-K765 WeakPolarHBondContact O-CG 3.37Å; C761-K765 PolarHBondContact O-N 3.04Å; N762-K765 PolarHBondContact O-N 3.34Å; K765-L767 VanDerWaalsContact C-N 3.34Å; K765-L767 PolarHBondContact O-N 3.27Å; K765-L768 PolarHBondContact O-N 2.76Å; K765-Y769 WeakPolarHBondContact O-CB 3.25Å; K765-Y769 PolarHBondContact O-N 2.84Å; K765-I804 PolarHBondContact NZ-O 3.35Å; K765-S807 WeakPolarHBondContact CE-OG 3.36Å; K765-S807 PolarHBondContact NZ-OG 3.4Å; K765-T808 VanDerWaalsContact CE-CA 3.5Å; K765-T808 VanDerWaalsContact CE-N 3.29Å; K765-T808 WeakPolarHBondContact CE-OG1 3.34Å; K765-T808 HydrophobicContact CG-CG2 4.17Å; K765-T808 PolarHBondContact NZ-OG1 2.97Å; K765-T808 VanDerWaalsContact NZ-OG1 3.15Å
766	Q	87	Confident	84.7	Confident	60 Å²	60	40 Å²	40	28%	0.28	19%	0.186	S	C	.	.	H	α-helix	trans	-63	-43.4	179	-166.3	68.8	-1.3	0	0	110.6	V689 L692 T693 N762 A763 W764 Y769 T770	V689-Q766 HydrophobicContact CG1-CB 4.4Å; L692-Q766 HydrophobicContact CB-CG 4.33Å; L692-Q766 HydrophobicContact CD1-CB 4.09Å; L692-Q766 HydrophobicContact CD1-CG 4.32Å; T693-Q766 HydrophobicContact CG2-CG 4.29Å; N762-Q766 WeakPolarHBondContact O-CB 3.4Å; N762-Q766 PolarHBondContact O-N 2.93Å; A763-Q766 PolarHBondContact O-N 2.82Å; W764-Q766 VanDerWaalsContact C-N 3.31Å; W764-Q766 PolarHBondContact O-N 2.88Å; Q766-Y769 PolarHBondContact O-N 2.85Å; Q766-T770 HydrophobicContact CG-CG2 4.5Å; Q766-T770 WeakPolarHBondContact O-CB 3.44Å; Q766-T770 WeakPolarHBondContact O-CG2 3.41Å; Q766-T770 PolarHBondContact O-N 3.1Å; Q766-T770 PolarHBondContact O-OG1 2.81Å
767	L	88	Confident	85.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-44.3	173.2	-75.7	173.9	0	0	0	112.4	L692 I700 I705 L708 A763 W764 K765 Y769 K771 S772 L775	L692-L767 HydrophobicContact CD1-CD2 4.44Å; L692-L767 HydrophobicContact CD1-CG 4.04Å; L692-L767 HydrophobicContact CD2-CD1 4.5Å; L692-L767 HydrophobicContact CD2-CD2 3.74Å; L692-L767 HydrophobicContact CD2-CG 4.12Å; I700-L767 HydrophobicContact CD1-CD2 4.38Å; I700-L767 HydrophobicContact CG2-CD2 3.59Å; I705-L767 HydrophobicContact CG1-CD1 4.47Å; L708-L767 HydrophobicContact CD1-CD1 3.75Å; A763-L767 PolarHBondContact O-N 3.18Å; W764-L767 HydrophobicContact CE3-CD1 3.99Å; W764-L767 HydrophobicContact CZ3-CD1 3.99Å; W764-L767 PolarHBondContact O-N 3.01Å; K765-L767 VanDerWaalsContact C-N 3.34Å; K765-L767 PolarHBondContact O-N 3.27Å; L767-Y769 VanDerWaalsContact C-N 3.31Å; L767-Y769 PolarHBondContact O-N 3.41Å; L767-K771 CarbonylContact O-C 3.58Å; L767-K771 WeakPolarHBondContact O-CA 3.35Å; L767-K771 PolarHBondContact O-N 3.4Å; L767-S772 PolarHBondContact O-N 3.28Å; L767-S772 VanDerWaalsContact O-N 3.16Å; L767-L775 HydrophobicContact CB-CD1 4.1Å
768	L	86.7	Confident	85	Confident	10 Å²	10	45.3 Å²	45.3	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-37.6	177.5	-70.2	163.5	0	0	0	112.3	W764 K765 S772 L775 A811 L812 Q815	W764-L768 WeakPolarHBondContact O-CB 3.35Å; W764-L768 WeakPolarHBondContact O-CG 3.4Å; W764-L768 PolarHBondContact O-N 3.1Å; K765-L768 PolarHBondContact O-N 2.76Å; L768-S772 VanDerWaalsContact O-CB 3.26Å; L768-S772 WeakPolarHBondContact O-CB 3.46Å; L768-L775 HydrophobicContact CD2-CD1 3.59Å; L768-L775 HydrophobicContact CG-CD1 3.93Å; L768-A811 HydrophobicContact CD1-CB 4.13Å; L768-L812 HydrophobicContact CD1-CD2 3.63Å; L768-L812 HydrophobicContact CD1-CG 3.87Å; L768-L812 HydrophobicContact CD2-CD2 3.83Å; L768-L812 HydrophobicContact CG-CD2 4.18Å; L768-Q815 HydrophobicContact CD2-CG 3.73Å
769	Y	85.6	Confident	85.1	Confident	202 Å²	202	47.1 Å²	47.1	79%	0.792	22%	0.222	S	C	*	.	H	α-helix	trans	-77.9	-41.4	-179.2	-176.9	-105.1	0	0	0	112.3	K765 Q766 L767	K765-Y769 WeakPolarHBondContact O-CB 3.25Å; K765-Y769 PolarHBondContact O-N 2.84Å; Q766-Y769 PolarHBondContact O-N 2.85Å; L767-Y769 VanDerWaalsContact C-N 3.31Å; L767-Y769 PolarHBondContact O-N 3.41Å
770	T	83.8	Confident	85	Confident	49 Å²	49	46.4 Å²	46.4	30%	0.301	22%	0.219	S	C	.	.	H	α-helix	trans	-92.1	-35.4	-170.8	59.5	0	0	0	0	113.5	T693 Q766	T693-T770 HydrophobicContact CG2-CG2 4.13Å; Q766-T770 HydrophobicContact CG-CG2 4.5Å; Q766-T770 WeakPolarHBondContact O-CB 3.44Å; Q766-T770 WeakPolarHBondContact O-CG2 3.41Å; Q766-T770 PolarHBondContact O-N 3.1Å; Q766-T770 PolarHBondContact O-OG1 2.81Å
771	K	86.1	Confident	84.7	Confident	22 Å²	22	46.4 Å²	46.4	10%	0.096	22%	0.219	C	C	.	.	H	α-helix	trans	-144.8	44.3	-171.6	-56.2	-168.4	-174.9	-167.4	0	112.4	L695 D697 I700 L767 Y773 L774	L695-K771 PolarHBondContact O-NZ 2.84Å; D697-K771 WeakPolarHBondContact OD1-CD 3.5Å; D697-K771 WeakPolarHBondContact OD1-CE 2.97Å; D697-K771 IonicContact OD1-NZ 3.38Å; D697-K771 PolarHBondContact OD1-NZ 3.26Å; I700-K771 HydrophobicContact CD1-CD 3.56Å; I700-K771 VanDerWaalsContact CD1-NZ 3.28Å; L767-K771 CarbonylContact O-C 3.58Å; L767-K771 WeakPolarHBondContact O-CA 3.35Å; L767-K771 PolarHBondContact O-N 3.4Å; K771-Y773 HydrophobicContact CB-CE1 4.02Å; K771-Y773 HydrophobicContact CG-CE1 4.33Å; K771-Y773 PolarHBondContact O-N 3.38Å; K771-L774 HydrophobicContact CB-CD1 3.79Å; K771-L774 HydrophobicContact CB-CG 4.09Å; K771-L774 HydrophobicContact CD-CD1 3.65Å; K771-L774 HydrophobicContact CG-CD1 4.36Å; K771-L774 WeakPolarHBondContact O-CB 3.3Å; K771-L774 PolarHBondContact O-N 3.05Å
772	S	83.7	Confident	84.4	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-51.3	-32.8	179.5	50.9	0	0	0	0	113.9	L767 L768 L774 L775	L767-S772 PolarHBondContact O-N 3.28Å; L767-S772 VanDerWaalsContact O-N 3.16Å; L768-S772 VanDerWaalsContact O-CB 3.26Å; L768-S772 WeakPolarHBondContact O-CB 3.46Å; S772-L774 PolarHBondContact O-N 3.37Å; S772-L775 PolarHBondContact O-N 3.15Å
773	Y	83.3	Confident	84.2	Confident	152 Å²	152	52.4 Å²	52.4	60%	0.596	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-63.2	-19.2	179.1	62.1	-91	0	0	0	114	D697 K771 L775	D697-Y773 PolarHBondContact OD2-OH 2.91Å; K771-Y773 HydrophobicContact CB-CE1 4.02Å; K771-Y773 HydrophobicContact CG-CE1 4.33Å; K771-Y773 PolarHBondContact O-N 3.38Å; Y773-L775 VanDerWaalsContact C-N 3.32Å
774	L	83.9	Confident	84	Confident	31 Å²	31	52.4 Å²	52.4	16%	0.162	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-80.6	-13.8	173.8	-61.4	-178.7	0	0	0	112.8	D697 I700 V701 K771 S772	D697-L774 HydrophobicContact CB-CD1 4Å; D697-L774 HydrophobicContact CB-CD2 4.01Å; I700-L774 HydrophobicContact CB-CD1 4.25Å; I700-L774 HydrophobicContact CD1-CD1 4.45Å; I700-L774 HydrophobicContact CG2-CD1 4.03Å; V701-L774 HydrophobicContact CG2-CB 4.27Å; V701-L774 HydrophobicContact CG2-CD1 4.43Å; V701-L774 HydrophobicContact CG2-CD2 4.06Å; V701-L774 HydrophobicContact CG2-CG 4.49Å; K771-L774 HydrophobicContact CB-CD1 3.79Å; K771-L774 HydrophobicContact CB-CG 4.09Å; K771-L774 HydrophobicContact CD-CD1 3.65Å; K771-L774 HydrophobicContact CG-CD1 4.36Å; K771-L774 WeakPolarHBondContact O-CB 3.3Å; K771-L774 PolarHBondContact O-N 3.05Å; S772-L774 PolarHBondContact O-N 3.37Å
775	L	85.1	Confident	83.7	Confident	9 Å²	9	52.9 Å²	52.9	5%	0.047	25%	0.253	C	S	.	.	S	Bend	trans	-99.4	97	-178.4	-63.4	174	0	0	0	109.8	I705 W764 L767 L768 S772 Y773 L779 I780 I784	I705-L775 HydrophobicContact CD1-CD2 3.71Å; I705-L775 HydrophobicContact CG1-CD2 4.28Å; W764-L775 HydrophobicContact CE3-CD2 4.46Å; W764-L775 HydrophobicContact CZ3-CD2 3.88Å; L767-L775 HydrophobicContact CB-CD1 4.1Å; L768-L775 HydrophobicContact CD2-CD1 3.59Å; L768-L775 HydrophobicContact CG-CD1 3.93Å; S772-L775 PolarHBondContact O-N 3.15Å; Y773-L775 VanDerWaalsContact C-N 3.32Å; L775-L779 HydrophobicContact CD2-CD2 4.37Å; L775-I780 HydrophobicContact CB-CD1 4.1Å; L775-I780 HydrophobicContact CB-CG1 4.23Å; L775-I784 HydrophobicContact CD2-CD1 4.13Å
776	E	82.6	Confident	83.5	Confident	126 Å²	126	51.5 Å²	51.5	59%	0.589	25%	0.249	S	C	*	.			trans	-61.2	138.3	176.6	-67.9	-172.2	174.4	0	0	111.3	Q778 L779 I780	E776-Q778 PolarHBondContact O-N 2.93Å; E776-L779 HydrophobicContact CB-CB 4.39Å; E776-L779 WeakPolarHBondContact O-CB 3.48Å; E776-L779 PolarHBondContact O-N 2.77Å; E776-I780 PolarHBondContact O-N 2.72Å; E776-I780 VanDerWaalsContact O-N 3.14Å
777	P	79.7	Confident	83.1	Confident	49 Å²	49	48.8 Å²	48.8	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-55.3	-29.8	178.3	-28.9	35.6	0	0	0	114	V781 L816	P777-V781 VanDerWaalsContact O-CG2 3.3Å; P777-V781 WeakPolarHBondContact O-CG2 3.17Å; P777-V781 PolarHBondContact O-N 2.9Å; P777-L816 HydrophobicContact CB-CD2 3.77Å
778	Q	79.2	Confident	83	Confident	84 Å²	84	48.7 Å²	48.7	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-49.5	175	-71	-175.7	-21.9	0	0	111.1	E776 I780 V781 T782	E776-Q778 PolarHBondContact O-N 2.93Å; Q778-I780 VanDerWaalsContact C-N 3.33Å; Q778-I780 PolarHBondContact O-N 3.32Å; Q778-V781 PolarHBondContact O-N 2.76Å; Q778-V781 VanDerWaalsContact O-N 3.1Å; Q778-T782 WeakPolarHBondContact O-CG2 3.35Å; Q778-T782 PolarHBondContact O-N 3.16Å; Q778-T782 PolarHBondContact O-OG1 3.48Å
779	L	84.6	Confident	82.7	Confident	41 Å²	41	49.2 Å²	49.2	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-43.7	178.3	-177.5	70.4	0	0	0	112.4	I705 L709 L775 E776 V781 E783 I784	I705-L779 HydrophobicContact CD1-CD2 4.36Å; I705-L779 HydrophobicContact CG2-CD2 3.73Å; L709-L779 HydrophobicContact CD1-CD1 4.14Å; L775-L779 HydrophobicContact CD2-CD2 4.37Å; E776-L779 HydrophobicContact CB-CB 4.39Å; E776-L779 WeakPolarHBondContact O-CB 3.48Å; E776-L779 PolarHBondContact O-N 2.77Å; L779-V781 PolarHBondContact O-N 3.24Å; L779-E783 HydrophobicContact CD1-CB 4.23Å; L779-E783 HydrophobicContact CD1-CG 4.13Å; L779-E783 PolarHBondContact O-N 3.21Å; L779-E783 VanDerWaalsContact O-N 3.12Å; L779-I784 HydrophobicContact CD2-CD1 4.28Å; L779-I784 HydrophobicContact CG-CD1 4.14Å; L779-I784 HydrophobicContact CG-CG1 4.47Å; L779-I784 PolarHBondContact O-N 3.19Å
780	I	81.6	Confident	82.4	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.015	21%	0.209	C	C	.	.	I	π-helix	trans	-56	-45	177	-69.3	172.8	0	0	0	110.5	L775 E776 Q778 I784 F785 L812 Q815 L816	L775-I780 HydrophobicContact CB-CD1 4.1Å; L775-I780 HydrophobicContact CB-CG1 4.23Å; E776-I780 PolarHBondContact O-N 2.72Å; E776-I780 VanDerWaalsContact O-N 3.14Å; Q778-I780 VanDerWaalsContact C-N 3.33Å; Q778-I780 PolarHBondContact O-N 3.32Å; I780-I784 HydrophobicContact CG1-CD1 4.2Å; I780-F785 WeakPolarHBondContact O-CB 3.33Å; I780-F785 PolarHBondContact O-N 3.21Å; I780-L812 HydrophobicContact CG1-CD2 4.28Å; I780-L812 HydrophobicContact CG2-CB 4.13Å; I780-L812 HydrophobicContact CG2-CD2 3.88Å; I780-Q815 HydrophobicContact CD1-CB 4.35Å; I780-L816 HydrophobicContact CB-CD2 4.39Å; I780-L816 HydrophobicContact CG2-CD1 4.04Å; I780-L816 HydrophobicContact CG2-CD2 4.24Å; I780-L816 HydrophobicContact CG2-CG 4.24Å
781	V	79.9	Confident	82.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-78.9	-40.1	-174	162.6	0	0	0	0	113.6	P777 Q778 L779 P786 L816 S1063 A1066 I1067	P777-V781 VanDerWaalsContact O-CG2 3.3Å; P777-V781 WeakPolarHBondContact O-CG2 3.17Å; P777-V781 PolarHBondContact O-N 2.9Å; Q778-V781 PolarHBondContact O-N 2.76Å; Q778-V781 VanDerWaalsContact O-N 3.1Å; L779-V781 PolarHBondContact O-N 3.24Å; V781-P786 WeakPolarHBondContact O-CD 3.29Å; V781-P786 WeakPolarHBondContact O-CG 3.38Å; V781-L816 HydrophobicContact CG2-CD1 3.58Å; V781-L816 HydrophobicContact CG2-CD2 3.95Å; V781-L816 HydrophobicContact CG2-CG 4.44Å; V781-S1063 WeakPolarHBondContact CG1-O 3.4Å; V781-S1063 VanDerWaalsContact CG2-CB 3.48Å; V781-A1066 HydrophobicContact CG1-CB 3.76Å; V781-I1067 HydrophobicContact CB-CD1 4.47Å; V781-I1067 HydrophobicContact CB-CG1 4.17Å; V781-I1067 HydrophobicContact CG1-CD1 4.46Å; V781-I1067 HydrophobicContact CG1-CG1 3.69Å; V781-I1067 HydrophobicContact CG2-CD1 3.64Å; V781-I1067 HydrophobicContact CG2-CG1 3.84Å
782	T	80.2	Confident	81.7	Confident	80 Å²	80	39.3 Å²	39.3	49%	0.491	20%	0.203	S	C	.	.	I	π-helix	trans	-83.2	-34.9	-171	54.1	0	0	0	0	111.9	Q778	Q778-T782 WeakPolarHBondContact O-CG2 3.35Å; Q778-T782 PolarHBondContact O-N 3.16Å; Q778-T782 PolarHBondContact O-OG1 3.48Å
783	E	81.9	Confident	81.3	Confident	90 Å²	90	42.4 Å²	42.4	42%	0.421	22%	0.219	S	C	.	.	I	π-helix	trans	-117.1	-57	-169.4	-64.4	-72.8	155	0	0	111.3	L709 L779 G787	L709-E783 HydrophobicContact CD1-CB 4.06Å; L709-E783 HydrophobicContact CD1-CG 4.35Å; L709-E783 HydrophobicContact CD2-CB 3.69Å; L779-E783 HydrophobicContact CD1-CB 4.23Å; L779-E783 HydrophobicContact CD1-CG 4.13Å; L779-E783 PolarHBondContact O-N 3.21Å; L779-E783 VanDerWaalsContact O-N 3.12Å; E783-G787 PolarHBondContact O-N 3.07Å
784	I	84.4	Confident	80.8	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.201	C	C	.	.	I	π-helix	trans	-69.7	-54.6	-168.2	-56.1	172.5	0	0	0	111.5	L709 W764 L775 L779 I780 G787 L788 L812	L709-I784 HydrophobicContact CD2-CG1 3.88Å; W764-I784 HydrophobicContact CD2-CD1 4.49Å; W764-I784 HydrophobicContact CD2-CG2 3.88Å; W764-I784 HydrophobicContact CE3-CD1 3.85Å; W764-I784 HydrophobicContact CE3-CG1 4.47Å; W764-I784 HydrophobicContact CE3-CG2 4.24Å; W764-I784 HydrophobicContact CG-CG2 4.25Å; W764-I784 HydrophobicContact CH2-CD1 3.57Å; W764-I784 HydrophobicContact CH2-CG1 3.7Å; W764-I784 HydrophobicContact CZ2-CD1 4.22Å; W764-I784 HydrophobicContact CZ2-CG1 3.92Å; W764-I784 HydrophobicContact CZ2-CG2 4.21Å; W764-I784 HydrophobicContact CZ3-CD1 3.35Å; W764-I784 HydrophobicContact CZ3-CG1 4Å; L775-I784 HydrophobicContact CD2-CD1 4.13Å; L779-I784 HydrophobicContact CD2-CD1 4.28Å; L779-I784 HydrophobicContact CG-CD1 4.14Å; L779-I784 HydrophobicContact CG-CG1 4.47Å; L779-I784 PolarHBondContact O-N 3.19Å; I780-I784 HydrophobicContact CG1-CD1 4.2Å; I784-G787 PolarHBondContact O-N 3.41Å; I784-L788 HydrophobicContact CG2-CD1 4.37Å; I784-L788 WeakPolarHBondContact O-CG 3.31Å; I784-L788 PolarHBondContact O-N 3.29Å; I784-L812 HydrophobicContact CG2-CD1 3.86Å; I784-L812 HydrophobicContact CG2-CD2 4.07Å
785	F	83.2	Confident	80.1	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-47.7	-176.5	-165.3	-85.5	0	0	0	111.9	I780 G787 L788 L789 L809 L812 L813 I1067	I780-F785 WeakPolarHBondContact O-CB 3.33Å; I780-F785 PolarHBondContact O-N 3.21Å; F785-G787 VanDerWaalsContact C-N 3.26Å; F785-G787 PolarHBondContact O-N 2.88Å; F785-L788 PolarHBondContact O-N 2.96Å; F785-L789 HydrophobicContact CD1-CD1 3.74Å; F785-L789 HydrophobicContact CD1-CD2 4.49Å; F785-L789 HydrophobicContact CD1-CG 3.94Å; F785-L789 HydrophobicContact CE1-CD1 3.71Å; F785-L789 HydrophobicContact CE1-CD2 3.86Å; F785-L789 HydrophobicContact CE1-CG 3.81Å; F785-L789 HydrophobicContact CZ-CD2 4.42Å; F785-L789 WeakPolarHBondContact O-CG 3.05Å; F785-L789 PolarHBondContact O-N 3.06Å; F785-L789 VanDerWaalsContact O-N 3.16Å; F785-L809 HydrophobicContact CD2-CD2 3.76Å; F785-L809 HydrophobicContact CE2-CB 4.03Å; F785-L809 HydrophobicContact CE2-CD2 3.65Å; F785-L809 HydrophobicContact CE2-CG 4.42Å; F785-L809 HydrophobicContact CG-CD2 4.3Å; F785-L809 HydrophobicContact CZ-CD2 4.12Å; F785-L812 HydrophobicContact CD2-CB 4.21Å; F785-L812 HydrophobicContact CD2-CD1 4.33Å; F785-L813 HydrophobicContact CE2-CD1 4.03Å; F785-L813 HydrophobicContact CE2-CD2 3.81Å; F785-L813 HydrophobicContact CE2-CG 3.66Å; F785-L813 HydrophobicContact CZ-CD1 4.15Å; F785-L813 HydrophobicContact CZ-CD2 4.04Å; F785-L813 HydrophobicContact CZ-CG 4.16Å; F785-I1067 HydrophobicContact CD1-CG2 4.03Å; F785-I1067 HydrophobicContact CE1-CG2 3.72Å; F785-I1067 HydrophobicContact CZ-CG2 4.45Å
786	P	82.6	Confident	79.4	Confident	20 Å²	20	51.3 Å²	51.3	13%	0.13	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-24	176.3	-19.8	35.6	0	0	0	113.8	V781 P790	V781-P786 WeakPolarHBondContact O-CD 3.29Å; V781-P786 WeakPolarHBondContact O-CG 3.38Å; P786-P790 VanDerWaalsContact O-CD 3.25Å; P786-P790 WeakPolarHBondContact O-CD 3.17Å
787	G	80	Confident	78.9	Confident	3 Å²	3	46.6 Å²	46.6	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-38.1	173	0	0	0	0	0	112.9	S712 E783 I784 F785 P790	S712-G787 PolarHBondContact OG-O 2.92Å; E783-G787 PolarHBondContact O-N 3.07Å; I784-G787 PolarHBondContact O-N 3.41Å; F785-G787 VanDerWaalsContact C-N 3.26Å; F785-G787 PolarHBondContact O-N 2.88Å; G787-P790 WeakPolarHBondContact O-CD 3.38Å
788	L	84	Confident	78.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-86.6	-28.1	-176.9	-66.9	177.5	0	0	0	114.1	L760 I784 F785 P790 H791 L805 T808 L809 L812	L760-L788 HydrophobicContact CD2-CD2 3.97Å; L760-L788 HydrophobicContact CG-CD2 4.48Å; I784-L788 HydrophobicContact CG2-CD1 4.37Å; I784-L788 WeakPolarHBondContact O-CG 3.31Å; I784-L788 PolarHBondContact O-N 3.29Å; F785-L788 PolarHBondContact O-N 2.96Å; L788-P790 VanDerWaalsContact C-CD 3.47Å; L788-H791 WeakPolarHBondContact O-CB 3.3Å; L788-H791 PolarHBondContact O-N 2.93Å; L788-L805 HydrophobicContact CB-CD1 4.06Å; L788-L805 HydrophobicContact CD2-CD1 4.34Å; L788-T808 HydrophobicContact CD1-CG2 4.13Å; L788-L809 HydrophobicContact CB-CD2 3.92Å; L788-L809 HydrophobicContact CD1-CD2 4.41Å; L788-L812 HydrophobicContact CD1-CD1 4.01Å
789	L	81	Confident	78.7	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.11	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-52.9	-43.7	-177.9	-85.3	174	0	0	0	115.7	F785 H791 V792 V1071 L1074	F785-L789 HydrophobicContact CD1-CD1 3.74Å; F785-L789 HydrophobicContact CD1-CD2 4.49Å; F785-L789 HydrophobicContact CD1-CG 3.94Å; F785-L789 HydrophobicContact CE1-CD1 3.71Å; F785-L789 HydrophobicContact CE1-CD2 3.86Å; F785-L789 HydrophobicContact CE1-CG 3.81Å; F785-L789 HydrophobicContact CZ-CD2 4.42Å; F785-L789 WeakPolarHBondContact O-CG 3.05Å; F785-L789 PolarHBondContact O-N 3.06Å; F785-L789 VanDerWaalsContact O-N 3.16Å; L789-H791 PolarHBondContact O-N 2.76Å; L789-H791 VanDerWaalsContact O-N 3.16Å; L789-V792 VanDerWaalsContact O-CB 3.31Å; L789-V792 WeakPolarHBondContact O-CB 3.38Å; L789-V792 WeakPolarHBondContact O-CG2 3.31Å; L789-V792 PolarHBondContact O-N 3.34Å; L789-V1071 HydrophobicContact CD1-CG2 3.73Å; L789-V1071 HydrophobicContact CD2-CG2 4.36Å; L789-L1074 HydrophobicContact CB-CD2 4.4Å
790	P	80	Confident	78.4	Confident	23 Å²	23	49.7 Å²	49.7	15%	0.149	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.8	-29.8	-179.1	-24.8	34	0	0	0	113.7	K716 P786 G787 L788 V792 V793 L1074	K716-P790 HydrophobicContact CD-CG 4.15Å; K716-P790 HydrophobicContact CG-CG 4.36Å; P786-P790 VanDerWaalsContact O-CD 3.25Å; P786-P790 WeakPolarHBondContact O-CD 3.17Å; G787-P790 WeakPolarHBondContact O-CD 3.38Å; L788-P790 VanDerWaalsContact C-CD 3.47Å; P790-V792 PolarHBondContact O-N 2.86Å; P790-V793 PolarHBondContact O-N 2.94Å; P790-L1074 HydrophobicContact CB-CD1 4.21Å; P790-L1074 HydrophobicContact CG-CD1 3.91Å
791	H	77.7	Confident	78.1	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-71.4	-17.8	179.8	-63.4	-76.8	0	0	0	112.9	I719 I757 L788 L789 V793 D794 L805	I719-H791 VanDerWaalsContact CD1-CE1 3.46Å; I719-H791 WeakPolarHBondContact CD1-CE1 3.48Å; I719-H791 WeakPolarHBondContact CD1-ND1 3.46Å; I757-H791 VanDerWaalsContact CD1-ND1 3.25Å; I757-H791 WeakPolarHBondContact CD1-ND1 3.42Å; I757-H791 HydrophobicContact CG2-CB 4.46Å; L788-H791 WeakPolarHBondContact O-CB 3.3Å; L788-H791 PolarHBondContact O-N 2.93Å; L789-H791 PolarHBondContact O-N 2.76Å; L789-H791 VanDerWaalsContact O-N 3.16Å; H791-V793 PolarHBondContact O-N 3.32Å; H791-D794 PolarHBondContact O-N 3.1Å; H791-L805 HydrophobicContact CB-CD2 3.86Å
792	V	77.8	Confident	78.2	Confident	41 Å²	41	54.3 Å²	54.3	25%	0.248	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-67.4	-28.1	178.3	-178.2	0	0	0	0	111.6	L789 P790 F802 L805 M806 L809	L789-V792 VanDerWaalsContact O-CB 3.31Å; L789-V792 WeakPolarHBondContact O-CB 3.38Å; L789-V792 WeakPolarHBondContact O-CG2 3.31Å; L789-V792 PolarHBondContact O-N 3.34Å; P790-V792 PolarHBondContact O-N 2.86Å; V792-F802 HydrophobicContact CG1-CE2 3.73Å; V792-F802 HydrophobicContact CG1-CZ 4.43Å; V792-L805 HydrophobicContact CB-CD2 4.25Å; V792-L805 HydrophobicContact CG2-CD2 3.57Å; V792-L805 HydrophobicContact CG2-CG 4.13Å; V792-M806 HydrophobicContact CG1-SD 4.06Å; V792-M806 HydrophobicContact CG2-SD 4.43Å; V792-L809 HydrophobicContact CG2-CD1 3.59Å
793	V	74.6	Confident	78.3	Confident	105 Å²	105	58.6 Å²	58.6	64%	0.636	29%	0.29	S	S	*	.	S	Bend	trans	-97.6	-7.5	-175.8	-168.8	0	0	0	0	111.8	P790 H791 K795 L1074	P790-V793 PolarHBondContact O-N 2.94Å; H791-V793 PolarHBondContact O-N 3.32Å; V793-K795 PolarHBondContact O-N 3.27Å; V793-L1074 HydrophobicContact CG2-CD2 4.02Å
794	D	72.6	Confident	78.4	Confident	38 Å²	38	56.3 Å²	56.3	20%	0.203	28%	0.281	C	S	.	.			trans	-69.7	118.5	-177.7	-174.9	-2.4	0	0	0	111.1	I719 H791 K796 V797	I719-D794 HydrophobicContact CD1-CB 4.42Å; H791-D794 PolarHBondContact O-N 3.1Å; D794-K796 PolarHBondContact O-N 3.48Å; D794-K796 VanDerWaalsContact O-N 3.15Å; D794-K796 WeakPolarHBondContact OD1-CB 3.14Å; D794-K796 PolarHBondContact OD1-N 2.79Å; D794-V797 HydrophobicContact CB-CG2 3.85Å; D794-V797 PolarHBondContact O-N 3.14Å
795	K	68.7	Low	78.4	Confident	209 Å²	209	56.4 Å²	56.4	91%	0.909	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.3	-180	-65.1	-177	-179	178.5	0	113.3	V793	V793-K795 PolarHBondContact O-N 3.27Å
796	K	71.1	Confident	78.7	Confident	132 Å²	132	57.8 Å²	57.8	57%	0.574	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.1	179.1	-66.2	-177	177.6	179.3	0	113.6	N722 D794	N722-K796 PolarHBondContact ND2-NZ 3.33Å; D794-K796 PolarHBondContact O-N 3.48Å; D794-K796 VanDerWaalsContact O-N 3.15Å; D794-K796 WeakPolarHBondContact OD1-CB 3.14Å; D794-K796 PolarHBondContact OD1-N 2.79Å
797	V	73.1	Confident	78.8	Confident	26 Å²	26	59.3 Å²	59.3	16%	0.158	30%	0.299	C	S	.	.			trans	-76.1	125.6	-177.2	176.7	0	0	0	0	110.1	D794 E801 F802	D794-V797 HydrophobicContact CB-CG2 3.85Å; D794-V797 PolarHBondContact O-N 3.14Å; V797-E801 HydrophobicContact CG1-CB 3.55Å; V797-F802 HydrophobicContact CG1-CB 4.11Å
798	S	75.7	Confident	79.1	Confident	45 Å²	45	59.2 Å²	59.2	32%	0.315	30%	0.298	S	S	.	.			trans	-67.8	158.5	175.9	68.7	0	0	0	0	111.6	T800 E801 F802	S798-T800 PolarHBondContact O-N 3.27Å; S798-T800 PolarHBondContact OG-OG1 3.32Å; S798-T800 VanDerWaalsContact OG-OG1 3.07Å; S798-E801 WeakPolarHBondContact CB-OE2 3.28Å; S798-E801 PolarHBondContact N-OE2 2.58Å; S798-E801 PolarHBondContact O-N 3.28Å; S798-E801 VanDerWaalsContact O-N 3.14Å; S798-E801 WeakPolarHBondContact OG-CB 3.21Å; S798-E801 WeakPolarHBondContact OG-CG 3.2Å; S798-E801 PolarHBondContact OG-N 3.11Å; S798-E801 PolarHBondContact OG-OE2 2.75Å; S798-F802 PolarHBondContact O-N 3.39Å
799	I	77.5	Confident	79.3	Confident	124 Å²	124	59.6 Å²	59.6	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-61.9	-30.5	-179.3	-155.3	160.9	0	0	0	112.9	R803	I799-R803 VanDerWaalsContact O-CG 3.27Å; I799-R803 WeakPolarHBondContact O-CG 3.43Å; I799-R803 PolarHBondContact O-N 2.95Å; I799-R803 VanDerWaalsContact O-N 3.15Å
800	T	77.8	Confident	79.6	Confident	70 Å²	70	65 Å²	65	43%	0.429	32%	0.32	S	S	.	.	H	α-helix	trans	-68.9	-46.6	175	34.6	0	0	0	0	111	S798 R803 I804	S798-T800 PolarHBondContact O-N 3.27Å; S798-T800 PolarHBondContact OG-OG1 3.32Å; S798-T800 VanDerWaalsContact OG-OG1 3.07Å; T800-R803 WeakPolarHBondContact O-CB 3.18Å; T800-R803 PolarHBondContact O-N 2.71Å; T800-I804 WeakPolarHBondContact O-CG1 3.47Å; T800-I804 PolarHBondContact O-N 3.48Å
801	E	77	Confident	79.8	Confident	16 Å²	16	65.4 Å²	65.4	8%	0.075	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-42.2	176.8	-71.2	159.7	165.3	0	0	111.3	Q755 V797 S798 R803 I804 L805	Q755-E801 VanDerWaalsContact CB-OE1 3.27Å; Q755-E801 WeakPolarHBondContact CB-OE1 3.48Å; Q755-E801 VanDerWaalsContact CG-OE1 3.28Å; Q755-E801 WeakPolarHBondContact CG-OE1 3.3Å; Q755-E801 PolarHBondContact N-OE1 2.93Å; Q755-E801 VanDerWaalsContact N-OE1 3.15Å; V797-E801 HydrophobicContact CG1-CB 3.55Å; S798-E801 WeakPolarHBondContact CB-OE2 3.28Å; S798-E801 PolarHBondContact N-OE2 2.58Å; S798-E801 PolarHBondContact O-N 3.28Å; S798-E801 VanDerWaalsContact O-N 3.14Å; S798-E801 WeakPolarHBondContact OG-CB 3.21Å; S798-E801 WeakPolarHBondContact OG-CG 3.2Å; S798-E801 PolarHBondContact OG-N 3.11Å; S798-E801 PolarHBondContact OG-OE2 2.75Å; E801-R803 VanDerWaalsContact C-N 3.29Å; E801-R803 PolarHBondContact O-N 3.36Å; E801-I804 PolarHBondContact O-N 3.06Å; E801-I804 VanDerWaalsContact O-N 3.12Å; E801-L805 WeakPolarHBondContact O-CB 2.92Å; E801-L805 PolarHBondContact O-N 3.5Å
802	F	81	Confident	80.2	Confident	85 Å²	85	65.3 Å²	65.3	37%	0.373	32%	0.324	S	S	.	.	H	α-helix	trans	-58.6	-41.5	175.2	-178	-94.1	0	0	0	111.6	V792 V797 S798 L805 M806	V792-F802 HydrophobicContact CG1-CE2 3.73Å; V792-F802 HydrophobicContact CG1-CZ 4.43Å; V797-F802 HydrophobicContact CG1-CB 4.11Å; S798-F802 PolarHBondContact O-N 3.39Å; F802-L805 PolarHBondContact O-N 2.86Å; F802-M806 HydrophobicContact CD1-CG 3.94Å; F802-M806 HydrophobicContact CD2-CG 4.41Å; F802-M806 HydrophobicContact CE1-CG 3.52Å; F802-M806 HydrophobicContact CE1-SD 4.5Å; F802-M806 HydrophobicContact CE2-CG 4.05Å; F802-M806 HydrophobicContact CE2-SD 4.32Å; F802-M806 HydrophobicContact CG-CG 4.37Å; F802-M806 HydrophobicContact CZ-CG 3.58Å; F802-M806 HydrophobicContact CZ-SD 3.99Å; F802-M806 VanDerWaalsContact O-CB 3.3Å; F802-M806 WeakPolarHBondContact O-CB 3.43Å; F802-M806 VanDerWaalsContact O-CG 3.25Å; F802-M806 WeakPolarHBondContact O-CG 3.45Å; F802-M806 PolarHBondContact O-N 2.87Å
803	R	83.4	Confident	80.5	Confident	170 Å²	170	65.5 Å²	65.5	64%	0.642	32%	0.324	S	S	*	.	H	α-helix	trans	-64.6	-41.2	175.2	-74.9	172.1	178.5	-173.6	0.7	112.2	I799 T800 E801 S807	I799-R803 VanDerWaalsContact O-CG 3.27Å; I799-R803 WeakPolarHBondContact O-CG 3.43Å; I799-R803 PolarHBondContact O-N 2.95Å; I799-R803 VanDerWaalsContact O-N 3.15Å; T800-R803 WeakPolarHBondContact O-CB 3.18Å; T800-R803 PolarHBondContact O-N 2.71Å; E801-R803 VanDerWaalsContact C-N 3.29Å; E801-R803 PolarHBondContact O-N 3.36Å; R803-S807 WeakPolarHBondContact O-CB 3.26Å; R803-S807 PolarHBondContact O-N 3.41Å; R803-S807 PolarHBondContact O-OG 3.4Å
804	I	83.4	Confident	80.8	Confident	42 Å²	42	65.6 Å²	65.6	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-49.4	176.9	-67.4	169.4	0	0	0	109.6	S758 C761 K765 T800 E801 S807 T808	S758-I804 VanDerWaalsContact OG-CD1 3.26Å; S758-I804 WeakPolarHBondContact OG-CD1 3.36Å; C761-I804 HydrophobicContact CB-CG2 3.68Å; K765-I804 PolarHBondContact NZ-O 3.35Å; T800-I804 WeakPolarHBondContact O-CG1 3.47Å; T800-I804 PolarHBondContact O-N 3.48Å; E801-I804 PolarHBondContact O-N 3.06Å; E801-I804 VanDerWaalsContact O-N 3.12Å; I804-S807 PolarHBondContact O-N 3.17Å; I804-S807 PolarHBondContact O-OG 2.73Å; I804-T808 PolarHBondContact O-N 3.31Å; I804-T808 PolarHBondContact O-OG1 3.42Å
805	L	85	Confident	81	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-52.6	177.7	-179.8	65.1	0	0	0	111.7	L788 H791 V792 E801 F802 S807 T808 L809	L788-L805 HydrophobicContact CB-CD1 4.06Å; L788-L805 HydrophobicContact CD2-CD1 4.34Å; H791-L805 HydrophobicContact CB-CD2 3.86Å; V792-L805 HydrophobicContact CB-CD2 4.25Å; V792-L805 HydrophobicContact CG2-CD2 3.57Å; V792-L805 HydrophobicContact CG2-CG 4.13Å; E801-L805 WeakPolarHBondContact O-CB 2.92Å; E801-L805 PolarHBondContact O-N 3.5Å; F802-L805 PolarHBondContact O-N 2.86Å; L805-S807 VanDerWaalsContact C-N 3.34Å; L805-S807 PolarHBondContact O-N 3.22Å; L805-T808 WeakPolarHBondContact O-CB 3.41Å; L805-T808 PolarHBondContact O-N 3.04Å; L805-T808 VanDerWaalsContact O-N 3.08Å; L805-L809 HydrophobicContact CG-CD1 4.33Å; L805-L809 WeakPolarHBondContact O-CG 3.37Å; L805-L809 PolarHBondContact O-N 2.91Å
806	M	87.7	Confident	81.5	Confident	41 Å²	41	57.8 Å²	57.8	20%	0.202	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-42.7	179.3	-73.6	-57.2	-60.4	0	0	111.8	V792 F802 T808 L809 Y810	V792-M806 HydrophobicContact CG1-SD 4.06Å; V792-M806 HydrophobicContact CG2-SD 4.43Å; F802-M806 HydrophobicContact CD1-CG 3.94Å; F802-M806 HydrophobicContact CD2-CG 4.41Å; F802-M806 HydrophobicContact CE1-CG 3.52Å; F802-M806 HydrophobicContact CE1-SD 4.5Å; F802-M806 HydrophobicContact CE2-CG 4.05Å; F802-M806 HydrophobicContact CE2-SD 4.32Å; F802-M806 HydrophobicContact CG-CG 4.37Å; F802-M806 HydrophobicContact CZ-CG 3.58Å; F802-M806 HydrophobicContact CZ-SD 3.99Å; F802-M806 VanDerWaalsContact O-CB 3.3Å; F802-M806 WeakPolarHBondContact O-CB 3.43Å; F802-M806 VanDerWaalsContact O-CG 3.25Å; F802-M806 WeakPolarHBondContact O-CG 3.45Å; F802-M806 PolarHBondContact O-N 2.87Å; M806-T808 VanDerWaalsContact C-N 3.29Å; M806-T808 PolarHBondContact O-N 3Å; M806-L809 PolarHBondContact O-N 3.45Å; M806-L809 HydrophobicContact SD-CD1 4.16Å; M806-Y810 HydrophobicContact CB-CD2 4.49Å; M806-Y810 HydrophobicContact CB-CE2 4.28Å; M806-Y810 HydrophobicContact CE-CE2 3.72Å; M806-Y810 WeakPolarHBondContact O-CD2 3.19Å; M806-Y810 PolarHBondContact O-N 3.33Å
807	S	86.3	Confident	81.4	Confident	52 Å²	52	56.4 Å²	56.4	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-28.8	176	53.8	0	0	0	0	113.2	K765 R803 I804 L805 A811	K765-S807 WeakPolarHBondContact CE-OG 3.36Å; K765-S807 PolarHBondContact NZ-OG 3.4Å; R803-S807 WeakPolarHBondContact O-CB 3.26Å; R803-S807 PolarHBondContact O-N 3.41Å; R803-S807 PolarHBondContact O-OG 3.4Å; I804-S807 PolarHBondContact O-N 3.17Å; I804-S807 PolarHBondContact O-OG 2.73Å; L805-S807 VanDerWaalsContact C-N 3.34Å; L805-S807 PolarHBondContact O-N 3.22Å; S807-A811 WeakPolarHBondContact O-CB 3.46Å; S807-A811 PolarHBondContact O-N 3.25Å
808	T	86.3	Confident	80.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.2	-45.4	170.9	-52.4	0	0	0	0	111	C761 W764 K765 L788 I804 L805 M806 Y810 A811 L812	C761-T808 HydrophobicContact CB-CG2 4.39Å; C761-T808 VanDerWaalsContact CB-OG1 3.3Å; C761-T808 WeakPolarHBondContact CB-OG1 3.49Å; W764-T808 HydrophobicContact CB-CG2 4.09Å; K765-T808 VanDerWaalsContact CE-CA 3.5Å; K765-T808 VanDerWaalsContact CE-N 3.29Å; K765-T808 WeakPolarHBondContact CE-OG1 3.34Å; K765-T808 HydrophobicContact CG-CG2 4.17Å; K765-T808 PolarHBondContact NZ-OG1 2.97Å; K765-T808 VanDerWaalsContact NZ-OG1 3.15Å; L788-T808 HydrophobicContact CD1-CG2 4.13Å; I804-T808 PolarHBondContact O-N 3.31Å; I804-T808 PolarHBondContact O-OG1 3.42Å; L805-T808 WeakPolarHBondContact O-CB 3.41Å; L805-T808 PolarHBondContact O-N 3.04Å; L805-T808 VanDerWaalsContact O-N 3.08Å; M806-T808 VanDerWaalsContact C-N 3.29Å; M806-T808 PolarHBondContact O-N 3Å; T808-Y810 VanDerWaalsContact C-N 3.33Å; T808-Y810 PolarHBondContact O-N 3.41Å; T808-A811 PolarHBondContact O-N 3.2Å; T808-L812 HydrophobicContact CG2-CD1 4.28Å; T808-L812 WeakPolarHBondContact O-CG 3.38Å; T808-L812 PolarHBondContact O-N 2.85Å
809	L	87.1	Confident	79	Confident	8 Å²	8	62 Å²	62	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-42.6	177.1	-68	173.1	0	0	0	111.4	F785 L788 V792 L805 M806 L812 L813	F785-L809 HydrophobicContact CD2-CD2 3.76Å; F785-L809 HydrophobicContact CE2-CB 4.03Å; F785-L809 HydrophobicContact CE2-CD2 3.65Å; F785-L809 HydrophobicContact CE2-CG 4.42Å; F785-L809 HydrophobicContact CG-CD2 4.3Å; F785-L809 HydrophobicContact CZ-CD2 4.12Å; L788-L809 HydrophobicContact CB-CD2 3.92Å; L788-L809 HydrophobicContact CD1-CD2 4.41Å; V792-L809 HydrophobicContact CG2-CD1 3.59Å; L805-L809 HydrophobicContact CG-CD1 4.33Å; L805-L809 WeakPolarHBondContact O-CG 3.37Å; L805-L809 PolarHBondContact O-N 2.91Å; M806-L809 PolarHBondContact O-N 3.45Å; M806-L809 HydrophobicContact SD-CD1 4.16Å; L809-L812 PolarHBondContact O-N 2.96Å; L809-L813 WeakPolarHBondContact O-CG 3.46Å; L809-L813 PolarHBondContact O-N 3.1Å
810	Y	87.2	Confident	77.3	Confident	136 Å²	136	61.6 Å²	61.6	53%	0.533	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-44.4	173.8	-72.2	-57.3	0	0	0	112.2	M806 T808 L812 L813 D814	M806-Y810 HydrophobicContact CB-CD2 4.49Å; M806-Y810 HydrophobicContact CB-CE2 4.28Å; M806-Y810 HydrophobicContact CE-CE2 3.72Å; M806-Y810 WeakPolarHBondContact O-CD2 3.19Å; M806-Y810 PolarHBondContact O-N 3.33Å; T808-Y810 VanDerWaalsContact C-N 3.33Å; T808-Y810 PolarHBondContact O-N 3.41Å; Y810-L812 VanDerWaalsContact C-N 3.27Å; Y810-L812 PolarHBondContact O-N 2.6Å; Y810-L813 HydrophobicContact CD1-CD1 4.43Å; Y810-L813 PolarHBondContact O-N 3.34Å; Y810-L813 VanDerWaalsContact O-N 3.1Å; Y810-D814 VanDerWaalsContact O-CG 3.31Å; Y810-D814 PolarHBondContact O-N 2.85Å
811	A	85.1	Confident	75.4	Confident	30 Å²	30	62 Å²	62	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-34.3	176.5	0	0	0	0	0	113	L768 S807 T808 Q815	L768-A811 HydrophobicContact CD1-CB 4.13Å; S807-A811 WeakPolarHBondContact O-CB 3.46Å; S807-A811 PolarHBondContact O-N 3.25Å; T808-A811 PolarHBondContact O-N 3.2Å; A811-Q815 PolarHBondContact O-N 2.72Å
812	L	85.4	Confident	73.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-68	-41.7	173.2	-71.8	166	0	0	0	111.5	L768 I780 I784 F785 L788 T808 L809 Y810 Q815 L816	L768-L812 HydrophobicContact CD1-CD2 3.63Å; L768-L812 HydrophobicContact CD1-CG 3.87Å; L768-L812 HydrophobicContact CD2-CD2 3.83Å; L768-L812 HydrophobicContact CG-CD2 4.18Å; I780-L812 HydrophobicContact CG1-CD2 4.28Å; I780-L812 HydrophobicContact CG2-CB 4.13Å; I780-L812 HydrophobicContact CG2-CD2 3.88Å; I784-L812 HydrophobicContact CG2-CD1 3.86Å; I784-L812 HydrophobicContact CG2-CD2 4.07Å; F785-L812 HydrophobicContact CD2-CB 4.21Å; F785-L812 HydrophobicContact CD2-CD1 4.33Å; L788-L812 HydrophobicContact CD1-CD1 4.01Å; T808-L812 HydrophobicContact CG2-CD1 4.28Å; T808-L812 WeakPolarHBondContact O-CG 3.38Å; T808-L812 PolarHBondContact O-N 2.85Å; L809-L812 PolarHBondContact O-N 2.96Å; Y810-L812 VanDerWaalsContact C-N 3.27Å; Y810-L812 PolarHBondContact O-N 2.6Å; L812-Q815 PolarHBondContact O-N 3.44Å; L812-L816 WeakPolarHBondContact O-CG 3.15Å; L812-L816 PolarHBondContact O-N 2.94Å
813	L	83.8	Confident	71.5	Confident	45 Å²	45	70.6 Å²	70.6	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-65.5	-41.4	176.3	-70.4	168.8	0	0	0	111.8	F785 L809 Y810 Q815 L816 D817 I1067	F785-L813 HydrophobicContact CE2-CD1 4.03Å; F785-L813 HydrophobicContact CE2-CD2 3.81Å; F785-L813 HydrophobicContact CE2-CG 3.66Å; F785-L813 HydrophobicContact CZ-CD1 4.15Å; F785-L813 HydrophobicContact CZ-CD2 4.04Å; F785-L813 HydrophobicContact CZ-CG 4.16Å; L809-L813 WeakPolarHBondContact O-CG 3.46Å; L809-L813 PolarHBondContact O-N 3.1Å; Y810-L813 HydrophobicContact CD1-CD1 4.43Å; Y810-L813 PolarHBondContact O-N 3.34Å; Y810-L813 VanDerWaalsContact O-N 3.1Å; L813-Q815 PolarHBondContact O-N 2.88Å; L813-L816 HydrophobicContact CD2-CD1 4.48Å; L813-L816 CarbonylContact O-C 3.57Å; L813-L816 WeakPolarHBondContact O-CA 3.02Å; L813-L816 WeakPolarHBondContact O-CB 3.1Å; L813-L816 PolarHBondContact O-N 3.21Å; L813-D817 PolarHBondContact O-N 3.01Å; L813-I1067 HydrophobicContact CD2-CD1 4.22Å
814	D	80.8	Confident	69.1	Low	107 Å²	107	68.2 Å²	68.2	57%	0.572	37%	0.37	S	S	*	.	H	α-helix	trans	-58.6	-34.7	178	-72.4	-19.6	0	0	0	112	Y810 L816 D817	Y810-D814 VanDerWaalsContact O-CG 3.31Å; Y810-D814 PolarHBondContact O-N 2.85Å; D814-L816 VanDerWaalsContact C-N 3.32Å; D814-D817 PolarHBondContact O-N 3.01Å
815	Q	78.2	Confident	67	Low	62 Å²	62	73.5 Å²	73.5	29%	0.29	40%	0.399	S	S	.	.	H	α-helix	trans	-69.1	-28.2	173.6	-71.8	-63.5	-28.1	0	0	113.3	L768 I780 A811 L812 L813 I818	L768-Q815 HydrophobicContact CD2-CG 3.73Å; I780-Q815 HydrophobicContact CD1-CB 4.35Å; A811-Q815 PolarHBondContact O-N 2.72Å; L812-Q815 PolarHBondContact O-N 3.44Å; L813-Q815 PolarHBondContact O-N 2.88Å; Q815-I818 WeakPolarHBondContact O-CG1 3.32Å
816	L	78	Confident	64.5	Low	21 Å²	21	80.6 Å²	80.6	11%	0.11	44%	0.436	C	S	.	.	H	α-helix	trans	-81.5	-26.6	176.3	-60.3	173.1	0	0	0	111.9	P777 I780 V781 L812 L813 D814 I818 I1067	P777-L816 HydrophobicContact CB-CD2 3.77Å; I780-L816 HydrophobicContact CB-CD2 4.39Å; I780-L816 HydrophobicContact CG2-CD1 4.04Å; I780-L816 HydrophobicContact CG2-CD2 4.24Å; I780-L816 HydrophobicContact CG2-CG 4.24Å; V781-L816 HydrophobicContact CG2-CD1 3.58Å; V781-L816 HydrophobicContact CG2-CD2 3.95Å; V781-L816 HydrophobicContact CG2-CG 4.44Å; L812-L816 WeakPolarHBondContact O-CG 3.15Å; L812-L816 PolarHBondContact O-N 2.94Å; L813-L816 HydrophobicContact CD2-CD1 4.48Å; L813-L816 CarbonylContact O-C 3.57Å; L813-L816 WeakPolarHBondContact O-CA 3.02Å; L813-L816 WeakPolarHBondContact O-CB 3.1Å; L813-L816 PolarHBondContact O-N 3.21Å; D814-L816 VanDerWaalsContact C-N 3.32Å; L816-I818 VanDerWaalsContact C-N 3.29Å; L816-I818 PolarHBondContact O-N 3.47Å; L816-I1067 HydrophobicContact CD1-CD1 3.61Å
817	D	68.8	Low	61.9	Low	103 Å²	103	85.7 Å²	85.7	55%	0.551	46%	0.464	S	S	*	.			trans	-81.4	4.9	-175.9	-81.7	-15	0	0	0	114.5	L813 D814 P819	L813-D817 PolarHBondContact O-N 3.01Å; D814-D817 PolarHBondContact O-N 3.01Å; D817-P819 VanDerWaalsContact O-CD 3.27Å; D817-P819 WeakPolarHBondContact O-CD 3.47Å
818	I	55.6	Low	59.2	Low	85 Å²	85	90.1 Å²	90.1	44%	0.436	48%	0.484	S	S	.	.			trans	-55.4	113	-178.4	-59.3	172	0	0	0	110.5	Q815 L816 R1060	Q815-I818 WeakPolarHBondContact O-CG1 3.32Å; L816-I818 VanDerWaalsContact C-N 3.29Å; L816-I818 PolarHBondContact O-N 3.47Å; I818-R1060 PolarHBondContact O-NH1 3.25Å
819	P	44.6	Very low	56.7	Low	103 Å²	103	95.4 Å²	95.4	67%	0.669	52%	0.521	S	S	*	.			trans	-72.8	143.8	-166.8	26.9	-32.6	0	0	0	111.6	D817 A821	D817-P819 VanDerWaalsContact O-CD 3.27Å; D817-P819 WeakPolarHBondContact O-CD 3.47Å; P819-A821 VanDerWaalsContact C-N 3.28Å; P819-A821 PolarHBondContact O-N 3.12Å
820	N	40	Very low	54	Low	115 Å²	115	104.3 Å²	104.3	62%	0.615	56%	0.559	S	S	*	*			trans	-60.8	78.3	177.2	-65.7	-29.9	0	0	0	111.5
821	A	38.8	Very low	51.1	Low	80 Å²	80	103 Å²	103	66%	0.661	57%	0.565	S	S	*	*			trans	-94.3	10.8	-175	0	0	0	0	0	115.1	P819	P819-A821 VanDerWaalsContact C-N 3.28Å; P819-A821 PolarHBondContact O-N 3.12Å
822	E	38.3	Very low	48.3	Very low	177 Å²	177	110.6 Å²	110.6	83%	0.827	60%	0.596	S	S	*	*	S	Bend	trans	-127.4	19.8	-176.5	-70.7	-167.1	168	0	0	115.5
823	N	36.9	Very low	45.4	Very low	103 Å²	103	121.2 Å²	121.2	55%	0.551	64%	0.637	S	S	*	*	S	Bend	trans	-140.5	18.4	176.5	-70.2	-79.4	0	0	0	116.1	R1057	N823-R1057 VanDerWaalsContact CG-NH2 3.29Å; N823-R1057 PolarHBondContact ND2-NH2 3.43Å
824	D	34.6	Very low	42.6	Very low	121 Å²	121	129.8 Å²	129.8	65%	0.647	67%	0.667	S	S	*	*			trans	-98.1	8.2	177.8	-77.8	-0.3	0	0	0	113.8	L826	D824-L826 PolarHBondContact O-N 2.89Å
825	D	37.8	Very low	39.9	Very low	153 Å²	153	130.7 Å²	130.7	82%	0.818	68%	0.676	S	S	*	*	S	Bend	trans	-83.5	109.8	157.8	-73.3	-22	0	0	0	107.3
826	L	33.8	Very low	37.3	Very low	150 Å²	150	133.7 Å²	133.7	79%	0.785	70%	0.699	S	S	*	*	S	Bend	trans	84.8	76.5	-175.4	-60	100.5	0	0	0	116.1	D824	D824-L826 PolarHBondContact O-N 2.89Å
827	N	33.1	Very low	34.7	Very low	148 Å²	148	137.7 Å²	137.7	79%	0.791	73%	0.726	S	S	*	*				173.2	110.4	114.5	-87	-30.4	0	0	0	111.2
828	D	29.7	Very low	32.6	Very low	145 Å²	145	136.6 Å²	136.6	78%	0.775	73%	0.731	S	S	*	*			trans	26.9	101.8	149.6	-72.3	-20.5	0	0	0	119	K830	D828-K830 PolarHBondContact O-N 2.93Å
829	S	32.4	Very low	31.1	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	75%	0.754	S	S	*	*	S	Bend	trans	28.7	68.9	133.2	67.3	0	0	0	0	116.7
830	K	30.6	Very low	30.1	Very low	196 Å²	196	140.7 Å²	140.7	85%	0.852	75%	0.751	S	S	*	*			trans	-170.6	38	157.2	-109	164	-168.5	176.2	0	113.3	D828 Q832	D828-K830 PolarHBondContact O-N 2.93Å; K830-Q832 PolarHBondContact O-N 2.61Å
831	T	28	Very low	29.4	Very low	108 Å²	108	141.7 Å²	141.7	66%	0.663	76%	0.761	S	S	*	*			trans	-88	102.5	173.1	39.3	0	0	0	0	110.6	Y833	T831-Y833 PolarHBondContact O-N 3.42Å
832	Q	25.9	Very low	28.8	Very low	190 Å²	190	144.6 Å²	144.6	89%	0.888	77%	0.765	S	S	*	*			trans	-60.4	112.7	174.5	-66	170	-23.2	0	0	110.3	K830 R834	K830-Q832 PolarHBondContact O-N 2.61Å; Q832-R834 PolarHBondContact O-N 3.1Å
833	Y	23.7	Very low	28.3	Very low	222 Å²	222	141.4 Å²	141.4	87%	0.871	76%	0.76	S	S	*	*			trans	-62	120.7	159.6	-71.1	-86.1	0	0	0	108.6	T831 T835	T831-Y833 PolarHBondContact O-N 3.42Å; Y833-T835 PolarHBondContact O-N 2.88Å
834	R	24.5	Very low	27.8	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	77%	0.773	S	S	*	*			trans	-78.7	96.7	175.7	-175.6	176.7	-172.8	162.5	0.1	109	Q832 V836	Q832-R834 PolarHBondContact O-N 3.1Å; R834-V836 PolarHBondContact O-N 3.24Å
835	T	24.7	Very low	27.4	Very low	127 Å²	127	142.7 Å²	142.7	78%	0.779	78%	0.783	S	S	*	*			trans	-66	116	163.4	-29.5	0	0	0	0	107.7	Y833 P837	Y833-T835 PolarHBondContact O-N 2.88Å; T835-P837 WeakPolarHBondContact O-CD 3.35Å; T835-P837 VanDerWaalsContact O-N 3.15Å
836	V	23.3	Very low	27	Very low	125 Å²	125	142.2 Å²	142.2	76%	0.758	79%	0.786	S	S	*	*			trans	-57.8	118.4	171.6	-177.4	0	0	0	0	106.9	R834 A838	R834-V836 PolarHBondContact O-N 3.24Å; V836-A838 PolarHBondContact O-N 2.85Å
837	P	24.3	Very low	26.7	Very low	105 Å²	105	138.7 Å²	138.7	68%	0.682	79%	0.785	S	S	*	*			trans	-69.9	108.8	-175.3	26.1	-29.5	0	0	0	107.9	T835 L839	T835-P837 WeakPolarHBondContact O-CD 3.35Å; T835-P837 VanDerWaalsContact O-N 3.15Å; P837-L839 PolarHBondContact O-N 3.15Å; P837-L839 VanDerWaalsContact O-N 3.16Å
838	A	24.6	Very low	26.3	Very low	79 Å²	79	137.6 Å²	137.6	65%	0.653	79%	0.789	S	S	*	*			trans	-53.5	123.1	159.4	0	0	0	0	0	106.5	V836 T840	V836-A838 PolarHBondContact O-N 2.85Å; A838-T840 PolarHBondContact O-N 2.8Å
839	L	23.3	Very low	26.1	Very low	175 Å²	175	134.4 Å²	134.4	92%	0.916	79%	0.791	S	S	*	*			trans	-56.3	84.2	175.7	-83.8	144.1	0	0	0	109.6	P837 V841	P837-L839 PolarHBondContact O-N 3.15Å; P837-L839 VanDerWaalsContact O-N 3.16Å; L839-V841 PolarHBondContact O-N 2.87Å
840	T	23.9	Very low	25.7	Very low	99 Å²	99	137.8 Å²	137.8	61%	0.607	80%	0.795	S	S	*	*			trans	-85.4	99.5	170.3	47.6	0	0	0	0	107.2	A838 N842	A838-T840 PolarHBondContact O-N 2.8Å; T840-N842 PolarHBondContact O-N 3.29Å; T840-N842 VanDerWaalsContact O-N 3.14Å
841	V	24.8	Very low	25.5	Very low	136 Å²	136	136.4 Å²	136.4	82%	0.824	80%	0.795	S	S	*	*			trans	-59.6	113.2	166.6	-176.8	0	0	0	0	107.2	L839 P843	L839-V841 PolarHBondContact O-N 2.87Å; V841-P843 WeakPolarHBondContact O-CD 3.39Å
842	N	26.2	Very low	25.3	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.1	124.4	-175.6	-70.8	-42.5	0	0	0	110.6	T840	T840-N842 PolarHBondContact O-N 3.29Å; T840-N842 VanDerWaalsContact O-N 3.14Å
843	P	27.7	Very low	25.2	Very low	111 Å²	111	137.1 Å²	137.1	72%	0.721	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73	154.9	169.5	29.7	-31.1	0	0	0	110.9	V841 S845	V841-P843 WeakPolarHBondContact O-CD 3.39Å; P843-S845 PolarHBondContact O-N 3.43Å
844	P	26.8	Very low	25.1	Very low	128 Å²	128	137.9 Å²	137.9	83%	0.831	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.9	127	-168.8	-16	29	0	0	0	112.4
845	S	26.7	Very low	25	Very low	122 Å²	122	132 Å²	132	85%	0.853	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-62.8	123.1	178.4	40.5	0	0	0	0	113.2	P843	P843-S845 PolarHBondContact O-N 3.43Å
846	V	28.9	Very low	24.9	Very low	144 Å²	144	131.6 Å²	131.6	87%	0.873	80%	0.797	S	S	*	*			trans	-114.3	117.7	163.7	-177.8	0	0	0	0	109.3
847	G	27.7	Very low	24.9	Very low	75 Å²	75	133 Å²	133	77%	0.773	80%	0.801	S	S	*	*			trans	62.5	89.9	141	0	0	0	0	0	118.6
848	S	24.8	Very low	24.8	Very low	125 Å²	125	132.8 Å²	132.8	87%	0.874	80%	0.801	S	S	*	*			trans	-58.6	125.1	165.8	51.1	0	0	0	0	114
849	G	25.8	Very low	24.7	Very low	79 Å²	79	136.9 Å²	136.9	81%	0.814	81%	0.806	S	S	*	*			trans	-116.5	114.6	161.5	0	0	0	0	0	110.1
850	Q	23.9	Very low	24.7	Very low	182 Å²	182	135.4 Å²	135.4	85%	0.85	80%	0.799	S	S	*	*			trans	-69.3	150	174.4	-64.5	171.2	-20.2	0	0	110.5
851	I	25.4	Very low	24.7	Very low	167 Å²	167	138.9 Å²	138.9	86%	0.856	81%	0.813	S	S	*	*			trans	-174.4	121.4	131.6	-91.6	148.8	0	0	0	111.7
852	S	24.5	Very low	24.6	Very low	118 Å²	118	140.4 Å²	140.4	83%	0.825	81%	0.812	S	S	*	*			trans	45.6	136.1	142.1	-143.1	0	0	0	0	124.3
853	K	23.2	Very low	24.5	Very low	195 Å²	195	140.9 Å²	140.9	85%	0.848	81%	0.814	S	S	*	*			trans	-102.2	149.3	-175.9	-63.5	168.4	174.6	177.2	0	110.9
854	R	21.2	Very low	24.2	Very low	237 Å²	237	141.3 Å²	141.3	89%	0.894	82%	0.815	S	S	*	*			trans	-168	107.4	151.9	-137.4	170.5	-177.4	-178.7	0.1	106.3
855	S	22.9	Very low	24	Very low	103 Å²	103	147.3 Å²	147.3	72%	0.72	82%	0.821	S	S	*	*				74.2	101.5	60.7	78.8	0	0	0	0	115.1
856	S	24	Very low	23.8	Very low	117 Å²	117	150.1 Å²	150.1	82%	0.818	82%	0.823	S	S	*	*			trans	168.9	116.4	145.1	36.4	0	0	0	0	106.9
857	N	22.7	Very low	23.5	Very low	155 Å²	155	147.2 Å²	147.2	83%	0.829	82%	0.822	S	S	*	*				86.8	132.9	63.3	-91.5	17.2	0	0	0	114.8
858	C	21.6	Very low	23.3	Very low	101 Å²	101	148.4 Å²	148.4	68%	0.682	82%	0.824	S	S	*	*			trans	79.6	141.9	163.2	-60.8	0	0	0	0	116.5
859	E	22.5	Very low	23.2	Very low	165 Å²	165	152.6 Å²	152.6	77%	0.771	83%	0.827	S	S	*	*			cis	-167.8	163	-1.7	-118.7	161.3	-152.1	0	0	109.3
860	N	22.9	Very low	23.1	Very low	143 Å²	143	158.6 Å²	158.6	77%	0.765	83%	0.831	S	S	*	*			trans	-33.5	153.9	175.5	-54.8	-42.3	0	0	0	118.5
861	L	24.6	Very low	23.1	Very low	172 Å²	172	154.6 Å²	154.6	90%	0.901	82%	0.823	S	S	*	*				-166.4	133.9	124.2	-99.2	155.3	0	0	0	111.3
862	E	22	Very low	23	Very low	169 Å²	169	155 Å²	155	79%	0.79	83%	0.825	S	S	*	*			trans	-69.1	152.4	177.5	-62.2	163	142	0	0	111.5
863	D	24.6	Very low	23.1	Very low	150 Å²	150	155 Å²	155	80%	0.802	82%	0.82	S	S	*	*				-178	109.2	126.5	-100.2	-35.9	0	0	0	113.8
864	T	22.1	Very low	23.1	Very low	121 Å²	121	157 Å²	157	74%	0.742	82%	0.822	S	S	*	*			trans	20.6	118.3	130.5	-6.6	0	0	0	0	119.2
865	R	23.1	Very low	23.4	Very low	253 Å²	253	152.5 Å²	152.5	96%	0.955	82%	0.821	S	S	*	*			trans	-162.4	140.1	141	-111.9	166	-163	-161	5	116
866	M	22.1	Very low	23.5	Very low	182 Å²	182	154 Å²	154	90%	0.897	83%	0.826	S	S	*	*			trans	-65.3	147.4	-170.4	-72.6	-92.7	-76	0	0	115.5
867	G	22	Very low	23.5	Very low	82 Å²	82	152.7 Å²	152.7	85%	0.845	82%	0.822	S	S	*	*			trans	-65.5	142.8	-178.9	0	0	0	0	0	115.2
868	A	24.2	Very low	23.7	Very low	101 Å²	101	150.8 Å²	150.8	84%	0.835	82%	0.821	S	S	*	*			trans	-128.2	143	172.2	0	0	0	0	0	111
869	K	22.4	Very low	23.9	Very low	212 Å²	212	155.3 Å²	155.3	92%	0.922	83%	0.83	S	S	*	*			trans	-65.1	141.5	-162.7	-66.1	169.3	176	176.9	0	113.8	S871	K869-S871 PolarHBondContact O-N 3.17Å
870	K	23.5	Very low	24.2	Very low	206 Å²	206	153.8 Å²	153.8	90%	0.896	83%	0.831	S	S	*	*			trans	-54.8	112.7	177.9	-68.1	175.5	177.3	175.8	0	111.6
871	S	23.2	Very low	24.5	Very low	98 Å²	98	152.5 Å²	152.5	69%	0.685	83%	0.831	S	S	*	*			trans	-94.4	133.8	167	73.2	0	0	0	0	110.7	K869 T873	K869-S871 PolarHBondContact O-N 3.17Å; S871-T873 PolarHBondContact O-N 3.5Å
872	I	24.5	Very low	24.8	Very low	175 Å²	175	153.2 Å²	153.2	90%	0.897	83%	0.832	S	S	*	*			trans	-58.1	108.2	178.2	-64.2	155.4	0	0	0	110.4
873	T	26.5	Very low	25.2	Very low	118 Å²	118	150 Å²	150	72%	0.724	82%	0.82	S	S	*	*			trans	-103.8	117.8	170.8	43.5	0	0	0	0	109.9	S871 T875	S871-T873 PolarHBondContact O-N 3.5Å; T873-T875 PolarHBondContact O-N 2.67Å
874	R	23	Very low	25.6	Very low	238 Å²	238	148.2 Å²	148.2	90%	0.898	81%	0.806	S	S	*	*			trans	-58.7	118	170	-88	177.5	167.2	-179.6	-4.2	109.3	T876	R874-T876 PolarHBondContact O-N 2.82Å
875	T	26.9	Very low	26.3	Very low	142 Å²	142	146.5 Å²	146.5	87%	0.871	80%	0.797	S	S	*	*			trans	-67.4	106.3	176.6	39.2	0	0	0	0	111.3	T873	T873-T875 PolarHBondContact O-N 2.67Å
876	T	24.4	Very low	27	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	78%	0.778	S	S	*	*			trans	-85.7	118.4	164.6	50.5	0	0	0	0	109.2	R874 S878	R874-T876 PolarHBondContact O-N 2.82Å; T876-S878 PolarHBondContact O-N 3.18Å
877	A	25.6	Very low	27.8	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	76%	0.756	S	S	*	*			trans	-57.7	128.1	178.3	0	0	0	0	0	111.9	F879	A877-F879 PolarHBondContact O-N 3.04Å
878	S	26.6	Very low	28.8	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	74%	0.736	S	S	*	*			trans	-70.6	103.3	179.2	52.3	0	0	0	0	111.2	T876	T876-S878 PolarHBondContact O-N 3.18Å
879	F	24.3	Very low	29.6	Very low	196 Å²	196	137 Å²	137	86%	0.86	73%	0.725	S	S	*	*			trans	-81.6	122.4	168.9	-104.5	-91.9	0	0	0	110.1	A877	A877-F879 PolarHBondContact O-N 3.04Å
880	V	30.6	Very low	30.7	Very low	133 Å²	133	133.7 Å²	133.7	81%	0.806	71%	0.713	S	S	*	*			trans	-93	113.2	165.7	180	0	0	0	0	107.5	M882	V880-M882 PolarHBondContact O-N 3.06Å
881	P	27.9	Very low	31.5	Very low	115 Å²	115	129.4 Å²	129.4	75%	0.747	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-71.8	126.4	-179.1	-10.3	25.4	0	0	0	110.4	L883	P881-L883 PolarHBondContact O-N 3.19Å
882	M	30.6	Very low	32.7	Very low	188 Å²	188	131.5 Å²	131.5	93%	0.926	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-68.6	125.2	175.3	-155.5	174.8	76.3	0	0	109.7	V880	V880-M882 PolarHBondContact O-N 3.06Å
883	L	31.6	Very low	33.6	Very low	102 Å²	102	129.8 Å²	129.8	53%	0.534	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-63.1	140.9	179.3	-75.5	161.2	0	0	0	111.1	P881 Q887	P881-L883 PolarHBondContact O-N 3.19Å; L883-Q887 VanDerWaalsContact CD2-OE1 3.23Å
884	H	32.8	Very low	34.2	Very low	112 Å²	112	126.9 Å²	126.9	52%	0.519	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-67.1	141.5	-177.9	-174.1	-88.1	0	0	0	110.7	N886 Q887 I888	H884-N886 PolarHBondContact ND1-N 3.44Å; H884-N886 PolarHBondContact O-N 2.94Å; H884-Q887 WeakPolarHBondContact O-CB 3.24Å; H884-Q887 PolarHBondContact O-N 3.39Å; H884-I888 PolarHBondContact O-N 2.8Å
885	P	36.4	Very low	35	Very low	85 Å²	85	121.1 Å²	121.1	55%	0.552	67%	0.668	S	S	*	*	H	α-helix	trans	-53.9	-31.9	-173.6	-27.6	33.4	0	0	0	115.1	Q887 I888 K889	P885-Q887 VanDerWaalsContact C-N 3.35Å; P885-I888 PolarHBondContact O-N 3.1Å; P885-K889 PolarHBondContact O-N 2.84Å
886	N	38.8	Very low	35.3	Very low	104 Å²	104	121.6 Å²	121.6	56%	0.556	67%	0.666	S	S	*	*	H	α-helix	trans	-68.6	-32	177.3	-63.7	-7.8	0	0	0	112.9	H884 I888 K889 E890	H884-N886 PolarHBondContact ND1-N 3.44Å; H884-N886 PolarHBondContact O-N 2.94Å; N886-I888 VanDerWaalsContact C-N 3.32Å; N886-K889 PolarHBondContact O-N 3Å; N886-E890 PolarHBondContact O-N 3.34Å
887	Q	38.8	Very low	35.7	Very low	92 Å²	92	122.1 Å²	122.1	43%	0.43	66%	0.662	S	S	.	*	H	α-helix	trans	-70.7	-32	175.7	-66.3	-179.4	-45	0	0	111.2	L883 H884 P885 E890 L891	L883-Q887 VanDerWaalsContact CD2-OE1 3.23Å; H884-Q887 WeakPolarHBondContact O-CB 3.24Å; H884-Q887 PolarHBondContact O-N 3.39Å; P885-Q887 VanDerWaalsContact C-N 3.35Å; Q887-E890 PolarHBondContact O-N 2.83Å; Q887-L891 WeakPolarHBondContact O-CB 3.2Å; Q887-L891 WeakPolarHBondContact O-CD1 3.11Å; Q887-L891 VanDerWaalsContact O-CG 3.3Å; Q887-L891 WeakPolarHBondContact O-CG 3.36Å; Q887-L891 PolarHBondContact O-N 3.39Å
888	I	43.1	Very low	36.1	Very low	83 Å²	83	124.2 Å²	124.2	43%	0.426	67%	0.665	S	S	.	*	H	α-helix	trans	-65.5	-43.6	173.5	-58.8	174.6	0	0	0	110	H884 P885 N886 E890 L891 E892	H884-I888 PolarHBondContact O-N 2.8Å; P885-I888 PolarHBondContact O-N 3.1Å; N886-I888 VanDerWaalsContact C-N 3.32Å; I888-E890 PolarHBondContact O-N 2.76Å; I888-L891 WeakPolarHBondContact O-CB 3.22Å; I888-L891 PolarHBondContact O-N 3.16Å; I888-E892 PolarHBondContact O-N 3.42Å
889	K	41.1	Very low	36.1	Very low	140 Å²	140	130.2 Å²	130.2	61%	0.609	67%	0.67	S	S	*	*	H	α-helix	trans	-65.8	-34.8	175.7	-77.9	-173.5	174.3	-176.5	0	113.8	P885 N886 N893	P885-K889 PolarHBondContact O-N 2.84Å; N886-K889 PolarHBondContact O-N 3Å; K889-N893 PolarHBondContact O-N 2.82Å; K889-N893 PolarHBondContact O-ND2 3.44Å
890	E	45.2	Very low	36.3	Very low	141 Å²	141	132.2 Å²	132.2	66%	0.659	67%	0.672	S	S	*	*	H	α-helix	trans	-67.9	-36.7	172.7	-86.1	-178.5	155.6	0	0	112.2	N886 Q887 I888 N893 S894	N886-E890 PolarHBondContact O-N 3.34Å; Q887-E890 PolarHBondContact O-N 2.83Å; I888-E890 PolarHBondContact O-N 2.76Å; E890-N893 PolarHBondContact O-N 3.04Å; E890-S894 PolarHBondContact O-OG 2.88Å
891	L	39.4	Very low	36.1	Very low	116 Å²	116	131 Å²	131	61%	0.607	68%	0.677	S	S	*	*	H	α-helix	trans	-68.3	-34	176	-77.3	163.6	0	0	0	112.7	Q887 I888 N893	Q887-L891 WeakPolarHBondContact O-CB 3.2Å; Q887-L891 WeakPolarHBondContact O-CD1 3.11Å; Q887-L891 VanDerWaalsContact O-CG 3.3Å; Q887-L891 WeakPolarHBondContact O-CG 3.36Å; Q887-L891 PolarHBondContact O-N 3.39Å; I888-L891 WeakPolarHBondContact O-CB 3.22Å; I888-L891 PolarHBondContact O-N 3.16Å; L891-N893 VanDerWaalsContact C-N 3.31Å; L891-N893 PolarHBondContact O-N 3.18Å
892	E	48.4	Very low	36	Very low	142 Å²	142	129.8 Å²	129.8	66%	0.664	67%	0.671	S	S	*	*	H	α-helix	trans	-67.2	-31.4	174.2	-75	177.8	168.8	0	0	112.5	I888	I888-E892 PolarHBondContact O-N 3.42Å
893	N	44.5	Very low	35.9	Very low	140 Å²	140	125.5 Å²	125.5	75%	0.749	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	4	-175.2	-71.6	-29.8	0	0	0	114.9	K889 E890 L891	K889-N893 PolarHBondContact O-N 2.82Å; K889-N893 PolarHBondContact O-ND2 3.44Å; E890-N893 PolarHBondContact O-N 3.04Å; L891-N893 VanDerWaalsContact C-N 3.31Å; L891-N893 PolarHBondContact O-N 3.18Å
894	S	37.6	Very low	35.6	Very low	56 Å²	56	128.8 Å²	128.8	39%	0.392	68%	0.678	S	S	.	*			trans	-134	76.4	-176.6	48.1	0	0	0	0	112.3	E890 N896	E890-S894 PolarHBondContact O-OG 2.88Å; S894-N896 PolarHBondContact O-N 3.02Å
895	P	40.3	Very low	35.2	Very low	117 Å²	117	129.5 Å²	129.5	76%	0.76	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-1.5	-167.6	27.3	-33.4	0	0	0	115.6
896	N	34.4	Very low	34.6	Very low	152 Å²	152	132.7 Å²	132.7	81%	0.813	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	17.4	-167.9	-76	-18.8	0	0	0	116.3	S894	S894-N896 PolarHBondContact O-N 3.02Å
897	I	32.6	Very low	33.9	Very low	146 Å²	146	132.9 Å²	132.9	75%	0.749	71%	0.708	S	S	*	*	S	Bend	trans	-106.6	122.6	172	-67.4	174.1	0	0	0	110.8	R899	I897-R899 PolarHBondContact O-N 3.21Å
898	T	33.1	Very low	33.2	Very low	133 Å²	133	134.1 Å²	134.1	82%	0.816	72%	0.724	S	S	*	*			trans	-65.9	123.8	-178.1	34.8	0	0	0	0	111.6	R900	T898-R900 PolarHBondContact O-N 2.84Å
899	R	27.5	Very low	32.3	Very low	241 Å²	241	138 Å²	138	91%	0.909	75%	0.745	S	S	*	*			trans	-59.1	111.2	-175.5	-58.5	177.9	-169	-167.7	2	111.4	I897	I897-R899 PolarHBondContact O-N 3.21Å
900	R	26.9	Very low	31.6	Very low	238 Å²	238	136.3 Å²	136.3	90%	0.898	75%	0.748	S	S	*	*			trans	-140.2	83.4	164.9	-144	179.8	-169.4	-174.1	2.4	109.6	T898	T898-R900 PolarHBondContact O-N 2.84Å
901	A	27.1	Very low	30.8	Very low	109 Å²	109	135.2 Å²	135.2	90%	0.901	75%	0.754	S	S	*	*			trans	-102.7	90.9	170.4	0	0	0	0	0	108.7
902	S	26.8	Very low	30.2	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	77%	0.765	S	S	*	*			trans	-104.3	94.4	164	51.1	0	0	0	0	107.5	H904	S902-H904 PolarHBondContact O-N 3.02Å
903	A	27	Very low	29.1	Very low	99 Å²	99	139.7 Å²	139.7	82%	0.818	78%	0.777	S	S	*	*			trans	-88.5	103.9	176.1	0	0	0	0	0	109.1
904	H	25.2	Very low	28.2	Very low	171 Å²	171	137.5 Å²	137.5	79%	0.792	77%	0.773	S	S	*	*			trans	-82.3	121.6	169.9	-71.4	-65.8	0	0	0	109.6	S902	S902-H904 PolarHBondContact O-N 3.02Å
905	V	25.3	Very low	27.7	Very low	126 Å²	126	142.4 Å²	142.4	76%	0.764	79%	0.794	S	S	*	*			trans	-85.4	114.2	170	176.9	0	0	0	0	108.1	C907	V905-C907 PolarHBondContact O-N 2.99Å
906	I	23.7	Very low	27	Very low	153 Å²	153	145 Å²	145	79%	0.785	80%	0.801	S	S	*	*			trans	-79	108	170.4	-62.8	170	0	0	0	107	P908	I906-P908 WeakPolarHBondContact O-CD 3.48Å
907	C	23.4	Very low	26.5	Very low	107 Å²	107	148.9 Å²	148.9	72%	0.723	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.8	116.3	169.1	-71.8	0	0	0	0	108.9	V905 L909	V905-C907 PolarHBondContact O-N 2.99Å; C907-L909 PolarHBondContact O-N 3.45Å
908	P	24.5	Very low	26.1	Very low	118 Å²	118	152 Å²	152	77%	0.766	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.2	123.1	174.9	-9.2	25	0	0	0	109	I906	I906-P908 WeakPolarHBondContact O-CD 3.48Å
909	L	25	Very low	25.7	Very low	165 Å²	165	152.8 Å²	152.8	86%	0.864	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-63.2	135.3	171.6	-81.7	153	0	0	0	109.6	C907	C907-L909 PolarHBondContact O-N 3.45Å
910	P	25.9	Very low	25.5	Very low	104 Å²	104	150.5 Å²	150.5	68%	0.675	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.2	143.1	179.4	26.5	-31.5	0	0	0	110.3	Q912	P910-Q912 PolarHBondContact O-N 3.31Å
911	P	27.4	Very low	25.5	Very low	119 Å²	119	145.5 Å²	145.5	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-63.8	122.7	-168.6	25.5	-32.6	0	0	0	110.1	N913	P911-N913 PolarHBondContact O-N 3.04Å
912	Q	27.1	Very low	25.3	Very low	181 Å²	181	146.1 Å²	146.1	85%	0.846	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.1	118.8	172.8	-66.5	-157.6	-9	0	0	108.8	P910 S914	P910-Q912 PolarHBondContact O-N 3.31Å; Q912-S914 PolarHBondContact O-N 3.02Å
913	N	25	Very low	25.3	Very low	170 Å²	170	146.6 Å²	146.6	91%	0.909	80%	0.804	S	S	*	*			trans	-63.8	94.9	169.4	-75.8	-24.9	0	0	0	108.8	P911	P911-N913 PolarHBondContact O-N 3.04Å
914	S	27.5	Very low	25.2	Very low	95 Å²	95	149 Å²	149	66%	0.664	80%	0.803	S	S	*	*			trans	-111.4	103.1	162.2	59.2	0	0	0	0	108.6	Q912	Q912-S914 PolarHBondContact O-N 3.02Å
915	D	25.6	Very low	25.3	Very low	158 Å²	158	148.8 Å²	148.8	85%	0.845	81%	0.806	S	S	*	*			trans	25.5	97.2	145.9	-60.6	-33.6	0	0	0	117.4
916	L	25.7	Very low	25.3	Very low	173 Å²	173	149.9 Å²	149.9	91%	0.906	81%	0.807	S	S	*	*			trans	-125.7	111.3	158.1	-78.6	169.3	0	0	0	110
917	R	23.6	Very low	25.2	Very low	233 Å²	233	151 Å²	151	88%	0.879	81%	0.813	S	S	*	*			trans	-53.8	141.4	-179.5	-70.6	172.8	173.9	172.4	-2.6	111.8	D919	R917-D919 PolarHBondContact O-N 3.02Å; R917-D919 VanDerWaalsContact O-N 3.17Å
918	F	24.5	Very low	25.3	Very low	211 Å²	211	150.9 Å²	150.9	93%	0.925	81%	0.814	S	S	*	*			trans	-63.8	104.1	165.7	-73	-91	0	0	0	110
919	D	25.7	Very low	25.4	Very low	149 Å²	149	152.1 Å²	152.1	80%	0.797	81%	0.814	S	S	*	*			trans	-114.5	125	157	-83.7	-40.3	0	0	0	109.9	R917	R917-D919 PolarHBondContact O-N 3.02Å; R917-D919 VanDerWaalsContact O-N 3.17Å
920	K	23.4	Very low	25.5	Very low	193 Å²	193	153.9 Å²	153.9	84%	0.839	82%	0.815	S	S	*	*			trans	-56.5	129.8	-177.6	-80.5	170	170.6	172.3	0	111.3	T922	K920-T922 PolarHBondContact O-N 2.89Å
921	P	25.7	Very low	25.5	Very low	133 Å²	133	157.7 Å²	157.7	86%	0.864	82%	0.821	S	S	*	*			trans	-82.5	107.3	167.4	30.6	-26.5	0	0	0	109.2
922	T	24.1	Very low	25.6	Very low	122 Å²	122	158.7 Å²	158.7	75%	0.748	82%	0.82	S	S	*	*			trans	-84	149.6	163	43.7	0	0	0	0	110.8	K920	K920-T922 PolarHBondContact O-N 2.89Å
923	S	25.9	Very low	25.7	Very low	99 Å²	99	160.5 Å²	160.5	69%	0.692	82%	0.821	S	S	*	*			trans	70.5	102.7	162	60.3	0	0	0	0	118.7
924	D	24.1	Very low	25.8	Very low	150 Å²	150	158.9 Å²	158.9	80%	0.802	82%	0.817	S	S	*	*				43.1	116.4	115.1	-54.9	-32.8	0	0	0	118
925	I	27.6	Very low	25.8	Very low	166 Å²	166	159.1 Å²	159.1	85%	0.851	82%	0.819	S	S	*	*			trans	-161	109.9	131.6	-88	137.4	0	0	0	109.3
926	N	26.5	Very low	26	Very low	148 Å²	148	160.9 Å²	160.9	79%	0.791	82%	0.819	S	S	*	*			trans	30	108.4	144.3	-66.9	-31.1	0	0	0	121.5
927	L	22.1	Very low	26.4	Very low	176 Å²	176	159.4 Å²	159.4	92%	0.921	81%	0.811	S	S	*	*			trans	-27.9	122.1	138.9	-71.9	132.5	0	0	0	114.5
928	S	24	Very low	26.7	Very low	105 Å²	105	152 Å²	152	73%	0.734	81%	0.808	S	S	*	*			trans	-155.3	115.9	138.9	50.8	0	0	0	0	111
929	D	26.4	Very low	26.9	Very low	145 Å²	145	149.2 Å²	149.2	78%	0.775	80%	0.802	S	S	*	*			trans	40	104.5	146.6	-61.5	-35.8	0	0	0	120.3
930	K	28.6	Very low	27.3	Very low	202 Å²	202	151.4 Å²	151.4	88%	0.878	81%	0.807	S	S	*	*				-163.7	97.6	126.7	-104.5	159.7	-171.3	-179.9	0	110.6	N932	K930-N932 PolarHBondContact O-N 2.76Å; K930-N932 VanDerWaalsContact O-N 3.1Å
931	K	25.2	Very low	27.6	Very low	183 Å²	183	149.7 Å²	149.7	80%	0.796	81%	0.806	S	S	*	*			trans	-62.5	100.6	168.3	-69.1	176.8	178	176.3	0	109.4
932	N	28.6	Very low	28	Very low	141 Å²	141	148.1 Å²	148.1	75%	0.754	80%	0.796	S	S	*	*			trans	-118.8	111.3	162.6	-87.4	-14.1	0	0	0	108.6	K930 T934	K930-N932 PolarHBondContact O-N 2.76Å; K930-N932 VanDerWaalsContact O-N 3.1Å; N932-T934 PolarHBondContact O-N 3.44Å; N932-T934 VanDerWaalsContact O-N 3.1Å
933	Y	29.6	Very low	28.5	Very low	219 Å²	219	145.8 Å²	145.8	86%	0.859	79%	0.785	S	S	*	*			trans	-55.7	106.4	176.6	-69.4	-92.3	0	0	0	110.6
934	T	27	Very low	28.9	Very low	136 Å²	136	147.3 Å²	147.3	83%	0.834	79%	0.79	S	S	*	*			trans	-97.9	91.6	164.6	47.3	0	0	0	0	108.1	N932 F936	N932-T934 PolarHBondContact O-N 3.44Å; N932-T934 VanDerWaalsContact O-N 3.1Å; T934-F936 PolarHBondContact O-N 3.5Å
935	S	28.2	Very low	29.6	Very low	100 Å²	100	145.1 Å²	145.1	70%	0.699	79%	0.786	S	S	*	*			trans	-75.3	121.2	167	56.5	0	0	0	0	109.4	L937	S935-L937 PolarHBondContact O-N 3.21Å
936	F	30.4	Very low	29.9	Very low	194 Å²	194	145.6 Å²	145.6	85%	0.851	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.3	123.5	174.4	-167	-106.4	0	0	0	111.4	T934	T934-F936 PolarHBondContact O-N 3.5Å
937	L	33.5	Very low	30.1	Very low	142 Å²	142	145.9 Å²	145.9	74%	0.743	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.1	14.2	179.7	-55.2	175.7	0	0	0	119.6	S935 L939	S935-L937 PolarHBondContact O-N 3.21Å; L937-L939 PolarHBondContact O-N 3.09Å
938	G	29.3	Very low	30.5	Very low	79 Å²	79	148.4 Å²	148.4	81%	0.814	78%	0.78	S	S	*	*			trans	58.5	16.3	148.1	0	0	0	0	0	118.2
939	L	30	Very low	30.8	Very low	151 Å²	151	154.4 Å²	154.4	79%	0.791	79%	0.787	S	S	*	*			trans	-94.1	111.5	176.4	-70.5	172.8	0	0	0	109.2	L937 L941	L937-L939 PolarHBondContact O-N 3.09Å; L939-L941 PolarHBondContact O-N 2.91Å
940	Q	32.2	Very low	30.9	Very low	195 Å²	195	156.9 Å²	156.9	91%	0.911	79%	0.793	S	S	*	*			trans	-72.8	92.6	177.9	-167.7	168.3	-5	0	0	109.5
941	L	31.1	Very low	30.8	Very low	157 Å²	157	152.5 Å²	152.5	82%	0.822	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.1	127.3	173.9	-79.1	156.8	0	0	0	109.9	L939 S943	L939-L941 PolarHBondContact O-N 2.91Å; L941-S943 PolarHBondContact O-N 2.76Å
942	P	33	Very low	31	Very low	100 Å²	100	149.2 Å²	149.2	65%	0.649	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-62.5	137.7	178.3	-17.5	28.9	0	0	0	111	V944	P942-V944 PolarHBondContact O-N 3.28Å
943	S	34.4	Very low	30.9	Very low	74 Å²	74	150.1 Å²	150.1	52%	0.517	79%	0.792	S	S	.	*	P	Polyproline II helix	trans	-57.1	132.4	180	64.6	0	0	0	0	111.7	L941 S945 K946	L941-S943 PolarHBondContact O-N 2.76Å; S943-S945 PolarHBondContact O-N 3.44Å; S943-S945 PolarHBondContact OG-OG 3.1Å; S943-K946 PolarHBondContact O-N 3.03Å
944	V	34.6	Very low	30.9	Very low	130 Å²	130	144.4 Å²	144.4	79%	0.788	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-48.1	-23	-174.9	179.5	0	0	0	0	114.5	P942 K946 L947	P942-V944 PolarHBondContact O-N 3.28Å; V944-K946 PolarHBondContact O-N 3.22Å; V944-L947 PolarHBondContact O-N 3.48Å
945	S	38.3	Very low	31	Very low	105 Å²	105	146.4 Å²	146.4	73%	0.734	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-64.4	-18.7	174.1	38	0	0	0	0	115.1	S943	S943-S945 PolarHBondContact O-N 3.44Å; S943-S945 PolarHBondContact OG-OG 3.1Å
946	K	35.4	Very low	30.9	Very low	176 Å²	176	153.1 Å²	153.1	77%	0.765	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-88.9	-4.2	176.4	-81.7	-175.5	176.5	178.4	0	115	S943 V944	S943-K946 PolarHBondContact O-N 3.03Å; V944-K946 PolarHBondContact O-N 3.22Å
947	L	30.2	Very low	30.7	Very low	154 Å²	154	151 Å²	151	81%	0.806	79%	0.792	S	S	*	*	S	Bend	trans	-95.9	20.7	-175.7	-93.5	164.1	0	0	0	115.2	V944	V944-L947 PolarHBondContact O-N 3.48Å
948	R	30.4	Very low	30.4	Very low	229 Å²	229	152.7 Å²	152.7	86%	0.864	80%	0.797	S	S	*	*	S	Bend	trans	-123.1	33.6	-179.1	-153.3	-177.4	-83.9	177.5	-5.7	115.8
949	R	29.7	Very low	30.3	Very low	231 Å²	231	156 Å²	156	87%	0.872	79%	0.788	S	S	*	*	S	Bend	trans	-136.2	24.6	176.4	-79.9	-164.2	180	-169.1	0.3	117.4
950	H	29	Very low	30	Very low	197 Å²	197	156.2 Å²	156.2	91%	0.912	79%	0.791	S	S	*	*			trans	-124.5	50.8	174.1	-72.4	-71.1	0	0	0	113.3
951	S	27.2	Very low	29.7	Very low	110 Å²	110	153 Å²	153	77%	0.769	78%	0.784	S	S	*	*	S	Bend	trans	-130.7	131.7	163	-168.3	0	0	0	0	107.9
952	C	28	Very low	29.4	Very low	113 Å²	113	151.3 Å²	151.3	76%	0.764	79%	0.786	S	S	*	*			trans	90.1	72.3	-179.2	-50.5	0	0	0	0	115.9
953	D	28.1	Very low	29.1	Very low	160 Å²	160	151.8 Å²	151.8	86%	0.856	79%	0.791	S	S	*	*			trans	-145.8	69	141.9	-91.8	-31	0	0	0	108.3	Q955	D953-Q955 VanDerWaalsContact C-N 3.27Å; D953-Q955 PolarHBondContact O-N 3.45Å
954	A	29.5	Very low	28.6	Very low	99 Å²	99	157.4 Å²	157.4	82%	0.818	81%	0.809	S	S	*	*			trans	-76	84.8	167.7	0	0	0	0	0	108.1	R956	A954-R956 PolarHBondContact O-N 3.33Å; A954-R956 VanDerWaalsContact O-N 3.07Å
955	Q	29.3	Very low	28	Very low	178 Å²	178	160.3 Å²	160.3	83%	0.832	82%	0.816	S	S	*	*			trans	-62.5	107.5	169.6	-75.3	-177.4	-16.7	0	0	108.9	D953 Q957	D953-Q955 VanDerWaalsContact C-N 3.27Å; D953-Q955 PolarHBondContact O-N 3.45Å; Q955-Q957 PolarHBondContact O-N 3.19Å
956	R	26.3	Very low	27.4	Very low	241 Å²	241	163.7 Å²	163.7	91%	0.909	82%	0.821	S	S	*	*			trans	-62.6	119.9	172.9	-75.6	178.7	172.1	-167.4	-3.2	108.9	A954 E958	A954-R956 PolarHBondContact O-N 3.33Å; A954-R956 VanDerWaalsContact O-N 3.07Å; R956-E958 PolarHBondContact O-N 3.34Å
957	Q	25.9	Very low	27	Very low	149 Å²	149	162.3 Å²	162.3	70%	0.696	83%	0.827	S	S	*	*			trans	-62.5	111.4	170.1	-70.9	174.6	-23.8	0	0	109.3	Q955 K959	Q955-Q957 PolarHBondContact O-N 3.19Å; Q957-K959 PolarHBondContact O-N 3.3Å
958	E	25.5	Very low	26.7	Very low	179 Å²	179	160.8 Å²	160.8	84%	0.836	82%	0.819	S	S	*	*			trans	-71.1	100.9	169	-71	-179.5	161.7	0	0	108.8	R956 N960	R956-E958 PolarHBondContact O-N 3.34Å; E958-N960 PolarHBondContact O-N 2.97Å
959	K	27.4	Very low	26.3	Very low	147 Å²	147	158.5 Å²	158.5	64%	0.639	82%	0.816	S	S	*	*			trans	-75.5	108.6	164.6	-82.8	-173.3	176.7	-176.4	0	107.9	D738 Q957 T961	D738-K959 IonicContact OD2-NZ 3.42Å; D738-K959 PolarHBondContact OD2-NZ 3.12Å; Q957-K959 PolarHBondContact O-N 3.3Å; K959-T961 PolarHBondContact O-N 2.76Å; K959-T961 VanDerWaalsContact O-N 3.12Å
960	N	24.5	Very low	26.2	Very low	157 Å²	157	157.1 Å²	157.1	84%	0.84	82%	0.821	S	S	*	*			trans	-67.4	98.6	171	-76.1	-31.9	0	0	0	110.1	E958	E958-N960 PolarHBondContact O-N 2.97Å
961	T	26.8	Very low	26	Very low	126 Å²	126	153.4 Å²	153.4	77%	0.773	81%	0.808	S	S	*	*			trans	-112.6	111	162.1	50.4	0	0	0	0	109.2	K959 S963	K959-T961 PolarHBondContact O-N 2.76Å; K959-T961 VanDerWaalsContact O-N 3.12Å; T961-S963 PolarHBondContact O-N 3.32Å
962	S	23.6	Very low	26	Very low	123 Å²	123	156.3 Å²	156.3	86%	0.86	82%	0.815	S	S	*	*			trans	-66.4	117.4	168.7	52.1	0	0	0	0	111.1
963	S	26.8	Very low	25.8	Very low	110 Å²	110	156.6 Å²	156.6	77%	0.769	81%	0.809	S	S	*	*			trans	-162.6	108.3	148.2	55.5	0	0	0	0	110	T961 M965	T961-S963 PolarHBondContact O-N 3.32Å; S963-M965 PolarHBondContact O-N 2.75Å
964	H	23.5	Very low	25.8	Very low	191 Å²	191	157.5 Å²	157.5	88%	0.884	81%	0.813	S	S	*	*			trans	-33.4	122.6	156.8	-113.8	-59.6	0	0	0	112.2
965	M	23.7	Very low	25.5	Very low	191 Å²	191	157.7 Å²	157.7	94%	0.941	81%	0.808	S	S	*	*			trans	-167.8	143	131.3	-104.1	-174.7	96	0	0	111.1	S963	S963-M965 PolarHBondContact O-N 2.75Å
966	Q	23.9	Very low	25.3	Very low	177 Å²	177	160.8 Å²	160.8	83%	0.827	81%	0.812	S	S	*	*			trans	-93.1	123.9	-163.2	179.9	-178.3	11.5	0	0	109.7
967	V	27.7	Very low	25.2	Very low	147 Å²	147	160.3 Å²	160.3	89%	0.891	81%	0.811	S	S	*	*			trans	-145.9	133.1	158.7	-176.5	0	0	0	0	110.3
968	D	23.7	Very low	25.1	Very low	121 Å²	121	158.6 Å²	158.6	65%	0.647	82%	0.815	S	S	*	*			trans	-59.3	146.4	-172.3	-77.9	-71.7	0	0	0	117.7
969	K	23.1	Very low	25.2	Very low	182 Å²	182	156 Å²	156	79%	0.791	82%	0.817	S	S	*	*			trans	41.2	108.9	134.7	-61.6	172.6	-179.1	168.4	0	117.8
970	M	25.9	Very low	25	Very low	201 Å²	201	156 Å²	156	99%	0.99	82%	0.824	S	S	*	*			trans	-141.2	140.5	130.2	-108.3	167.6	-178.7	0	0	110.1
971	N	25.1	Very low	25	Very low	120 Å²	120	157.3 Å²	157.3	64%	0.642	83%	0.825	S	S	*	*			trans	-120.6	101.4	-147.5	179.5	35.7	0	0	0	106.3
972	D	26.9	Very low	25	Very low	170 Å²	170	157 Å²	157	91%	0.909	83%	0.828	S	S	*	*			trans	-123	96.2	168.8	-88	-31.1	0	0	0	110.7	L974	D972-L974 PolarHBondContact O-N 3.17Å
973	N	24.7	Very low	25	Very low	119 Å²	119	159.1 Å²	159.1	64%	0.636	83%	0.829	S	S	*	*			trans	-58	117.7	169.1	-60.7	-67.6	0	0	0	111
974	L	28.1	Very low	25.1	Very low	179 Å²	179	163.2 Å²	163.2	94%	0.937	84%	0.835	S	S	*	*			trans	-140.5	78.1	142.5	-79.4	-178.4	0	0	0	110	D972	D972-L974 PolarHBondContact O-N 3.17Å
975	S	22.7	Very low	25.1	Very low	103 Å²	103	160.9 Å²	160.9	72%	0.72	83%	0.83	S	S	*	*			trans	-67.9	119.3	158.5	65.8	0	0	0	0	110.4
976	R	26.6	Very low	25.1	Very low	243 Å²	243	158.5 Å²	158.5	92%	0.917	82%	0.82	S	S	*	*			trans	-144.4	88.9	145.2	-74.8	-165.3	175.5	-167	-1.5	107.1
977	R	24.3	Very low	25.1	Very low	232 Å²	232	156.4 Å²	156.4	88%	0.875	82%	0.815	S	S	*	*				54.8	95.3	101.8	-89.6	-171.5	168.6	-167.6	-2.9	113.7
978	S	22.4	Very low	24.9	Very low	112 Å²	112	160.2 Å²	160.2	78%	0.783	81%	0.814	S	S	*	*				47.3	108.2	113.9	-42.6	0	0	0	0	117.7
979	S	27.5	Very low	25	Very low	126 Å²	126	160.3 Å²	160.3	88%	0.881	82%	0.818	S	S	*	*			trans	-134.7	86.3	139.8	62.2	0	0	0	0	108.2
980	D	23.7	Very low	25	Very low	147 Å²	147	158.9 Å²	158.9	79%	0.786	82%	0.82	S	S	*	*			trans	-71.2	153.6	157.1	-90.9	-39.1	0	0	0	109.9
981	Q	25.2	Very low	24.8	Very low	184 Å²	184	160.3 Å²	160.3	86%	0.86	81%	0.814	S	S	*	*			trans	74.2	103.3	159.2	-67.8	172.2	7.9	0	0	119
982	S	27.2	Very low	24.9	Very low	119 Å²	119	164 Å²	164	83%	0.832	82%	0.821	S	S	*	*				-158.8	104	117.7	50.5	0	0	0	0	111.2
983	L	23.2	Very low	24.8	Very low	168 Å²	168	163 Å²	163	88%	0.88	82%	0.821	S	S	*	*			trans	-59.2	130.9	150.6	-77.2	154.4	0	0	0	108.1
984	Q	27.8	Very low	24.8	Very low	195 Å²	195	164.5 Å²	164.5	91%	0.911	83%	0.827	S	S	*	*			trans	-163.4	120.2	141.8	-110.9	169.8	17.8	0	0	111.1
985	D	23.5	Very low	24.8	Very low	143 Å²	143	161.8 Å²	161.8	77%	0.765	82%	0.82	S	S	*	*			trans	-52.6	139.2	165.9	-62.6	-59.9	0	0	0	112.3
986	N	24.2	Very low	25	Very low	140 Å²	140	166.5 Å²	166.5	75%	0.749	83%	0.828	S	S	*	*				163.8	128.8	114.8	-89.7	-27.4	0	0	0	111.8
987	D	24.1	Very low	25	Very low	134 Å²	134	160.5 Å²	160.5	72%	0.717	82%	0.823	S	S	*	*			trans	51.3	104	136.3	-67.5	-21.7	0	0	0	119.3
988	R	23.3	Very low	25	Very low	227 Å²	227	160.9 Å²	160.9	86%	0.857	82%	0.824	S	S	*	*				167.5	140.3	104.5	-93.5	165.8	-173.3	-169.1	2	113.9
989	T	24.7	Very low	25.2	Very low	122 Å²	122	159.3 Å²	159.3	75%	0.748	83%	0.826	S	S	*	*			trans	75.5	95.7	143.1	50.5	0	0	0	0	119.9
990	N	24.7	Very low	25.1	Very low	153 Å²	153	161.1 Å²	161.1	82%	0.818	83%	0.825	S	S	*	*				31.8	114.3	119.2	-76.1	-14.8	0	0	0	117.3
991	W	22.2	Very low	25.2	Very low	230 Å²	230	162 Å²	162	87%	0.871	83%	0.829	S	S	*	*			trans	-140.2	117.8	146.5	-93.3	-0.9	0	0	0	112.7
992	Y	25.4	Very low	25.3	Very low	199 Å²	199	161.2 Å²	161.2	78%	0.78	83%	0.83	S	S	*	*			trans	58.2	85.8	145	-60.7	-73.4	0	0	0	119.8
993	T	25.3	Very low	25.3	Very low	148 Å²	148	161 Å²	161	91%	0.908	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-88.5	128.5	149.1	-20.1	0	0	0	0	109.8
994	I	25.4	Very low	25.5	Very low	150 Å²	150	161.8 Å²	161.8	77%	0.769	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.5	140.7	-174.9	-66.9	163.9	0	0	0	111	K996	I994-K996 PolarHBondContact O-N 3.46Å
995	P	27.1	Very low	25.5	Very low	122 Å²	122	161.9 Å²	161.9	79%	0.792	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-75.9	122.3	-163.6	29.4	-34	0	0	0	112.5
996	K	27.3	Very low	25.6	Very low	203 Å²	203	164.3 Å²	164.3	88%	0.883	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-71	130.6	166.5	-73.5	-178.7	177.5	177.7	0	109.6	I994	I994-K996 PolarHBondContact O-N 3.46Å
997	S	26.1	Very low	25.8	Very low	116 Å²	116	165.1 Å²	165.1	81%	0.811	84%	0.837	S	S	*	*			trans	-32.3	127.5	173.2	47.9	0	0	0	0	114.5	G999	S997-G999 PolarHBondContact O-N 2.7Å; S997-G999 VanDerWaalsContact O-N 3.15Å
998	R	26	Very low	25.8	Very low	240 Å²	240	166.3 Å²	166.3	91%	0.906	84%	0.842	S	S	*	*			trans	-38.4	111.1	170.5	-74.5	173.4	169.9	163.1	-4.5	111.9	L1000	R998-L1000 VanDerWaalsContact C-N 3.32Å; R998-L1000 PolarHBondContact O-N 3.39Å
999	G	26.2	Very low	25.8	Very low	80 Å²	80	163.7 Å²	163.7	83%	0.825	84%	0.844	S	S	*	*			trans	-64.5	95	158.8	0	0	0	0	0	108.6	S997 L1001	S997-G999 PolarHBondContact O-N 2.7Å; S997-G999 VanDerWaalsContact O-N 3.15Å; G999-L1001 PolarHBondContact O-N 3.34Å
1000	L	24.7	Very low	25.8	Very low	164 Å²	164	163.9 Å²	163.9	86%	0.859	85%	0.846	S	S	*	*			trans	-66.9	108.9	155.1	-83.8	158.7	0	0	0	106.1	R998	R998-L1000 VanDerWaalsContact C-N 3.32Å; R998-L1000 PolarHBondContact O-N 3.39Å
1001	L	25.5	Very low	25.7	Very low	166 Å²	166	161 Å²	161	87%	0.869	84%	0.843	S	S	*	*			trans	-178.6	82.3	146.2	-92.5	165.8	0	0	0	105.3	G999 S1003	G999-L1001 PolarHBondContact O-N 3.34Å; L1001-S1003 PolarHBondContact O-N 3.18Å
1002	N	26.9	Very low	25.8	Very low	166 Å²	166	158.7 Å²	158.7	89%	0.888	84%	0.842	S	S	*	*			trans	-58.8	106	162.3	-90	-7	0	0	0	106.9	E1004	N1002-E1004 VanDerWaalsContact C-N 3.26Å; N1002-E1004 PolarHBondContact O-N 2.63Å
1003	S	28.1	Very low	25.8	Very low	115 Å²	115	154.8 Å²	154.8	80%	0.804	84%	0.838	S	S	*	*	S	Bend	trans	-69.7	81.3	169.5	163.7	0	0	0	0	108.5	L1001	L1001-S1003 PolarHBondContact O-N 3.18Å
1004	E	28.2	Very low	25.7	Very low	184 Å²	184	153.8 Å²	153.8	86%	0.86	84%	0.836	S	S	*	*			trans	-168.3	53.8	161.5	-114.1	172.8	-140.9	0	0	111.8	N1002	N1002-E1004 VanDerWaalsContact C-N 3.26Å; N1002-E1004 PolarHBondContact O-N 2.63Å
1005	E	26.6	Very low	25.7	Very low	198 Å²	198	154.6 Å²	154.6	93%	0.925	84%	0.836	S	S	*	*			trans	-153.7	116.5	154.7	-115.3	163.6	-153	0	0	111.9
1006	K	26.5	Very low	25.5	Very low	193 Å²	193	151.2 Å²	151.2	84%	0.839	82%	0.824	S	S	*	*			trans	-68.3	129.3	-178.7	-62.8	163.7	177.9	172	0	109.2
1007	N	26.8	Very low	25.6	Very low	157 Å²	157	147.6 Å²	147.6	84%	0.84	82%	0.821	S	S	*	*			trans	-161.8	68.7	141.2	-88.9	-26.6	0	0	0	108.1	L1009	N1007-L1009 PolarHBondContact O-N 2.82Å
1008	L	24.1	Very low	25.5	Very low	160 Å²	160	151.3 Å²	151.3	84%	0.838	82%	0.823	S	S	*	*			trans	-63.1	99.1	163.5	-72.5	165	0	0	0	107.2	T1010	L1008-T1010 PolarHBondContact O-N 3.22Å
1009	L	23.4	Very low	25.5	Very low	171 Å²	171	147.2 Å²	147.2	90%	0.895	82%	0.818	S	S	*	*			trans	-67.2	89.3	160.6	-73	168.5	0	0	0	106.9	N1007 A1011	N1007-L1009 PolarHBondContact O-N 2.82Å; L1009-A1011 VanDerWaalsContact C-N 3.31Å; L1009-A1011 PolarHBondContact O-N 2.75Å
1010	T	26	Very low	25.4	Very low	127 Å²	127	154.7 Å²	154.7	78%	0.779	82%	0.821	S	S	*	*			trans	-62.6	91.3	170.2	47.4	0	0	0	0	108.5	L1008 Q1012	L1008-T1010 PolarHBondContact O-N 3.22Å; T1010-Q1012 PolarHBondContact O-N 2.8Å; T1010-Q1012 VanDerWaalsContact O-N 3.17Å
1011	A	22.8	Very low	25.5	Very low	92 Å²	92	152.9 Å²	152.9	76%	0.76	82%	0.817	S	S	*	*			trans	-65.8	111.3	163.2	0	0	0	0	0	107.3	L1009 V1013	L1009-A1011 VanDerWaalsContact C-N 3.31Å; L1009-A1011 PolarHBondContact O-N 2.75Å; A1011-V1013 PolarHBondContact O-N 3.34Å
1012	Q	24.1	Very low	25.5	Very low	182 Å²	182	149.8 Å²	149.8	85%	0.85	81%	0.809	S	S	*	*			trans	-54.5	119.8	-178.7	-129.2	170	-13	0	0	109.6	T1010 C1014	T1010-Q1012 PolarHBondContact O-N 2.8Å; T1010-Q1012 VanDerWaalsContact O-N 3.17Å; Q1012-C1014 PolarHBondContact O-N 3.23Å; Q1012-C1014 VanDerWaalsContact O-N 3.07Å
1013	V	25.3	Very low	25.4	Very low	116 Å²	116	149.5 Å²	149.5	70%	0.703	81%	0.808	S	S	*	*			trans	-63.1	103.6	173.6	-179.1	0	0	0	0	107.6	A1011 E1015	A1011-V1013 PolarHBondContact O-N 3.34Å; V1013-E1015 VanDerWaalsContact C-N 3.31Å; V1013-E1015 HydrophobicContact CG1-CG 3.61Å; V1013-E1015 PolarHBondContact O-N 3.44Å
1014	C	23	Very low	25.3	Very low	128 Å²	128	150.7 Å²	150.7	87%	0.865	80%	0.804	S	S	*	*			trans	-74.4	90.2	165.4	-69.8	0	0	0	0	108.1	Q1012 G1016	Q1012-C1014 PolarHBondContact O-N 3.23Å; Q1012-C1014 VanDerWaalsContact O-N 3.07Å; C1014-G1016 PolarHBondContact O-N 2.7Å; C1014-G1016 VanDerWaalsContact O-N 3.16Å
1015	E	24.4	Very low	25.1	Very low	166 Å²	166	150.2 Å²	150.2	78%	0.776	80%	0.801	S	S	*	*			trans	-68.1	102	171.6	-65.2	-171	164.6	0	0	109.6	V1013	V1013-E1015 VanDerWaalsContact C-N 3.31Å; V1013-E1015 HydrophobicContact CG1-CG 3.61Å; V1013-E1015 PolarHBondContact O-N 3.44Å
1016	G	24.5	Very low	25.1	Very low	52 Å²	52	146 Å²	146	54%	0.536	79%	0.789	S	S	.	*			trans	-78.3	148.9	169.1	0	0	0	0	0	111.9	C1014	C1014-G1016 PolarHBondContact O-N 2.7Å; C1014-G1016 VanDerWaalsContact O-N 3.16Å
1017	P	28.6	Very low	24.9	Very low	126 Å²	126	146.1 Å²	146.1	82%	0.818	79%	0.79	S	S	*	*			trans	-78.5	127.8	-161.2	29.9	-33.4	0	0	0	113.6	I1019	P1017-I1019 PolarHBondContact O-N 3.32Å
1018	F	24.5	Very low	24.8	Very low	194 Å²	194	145.7 Å²	145.7	85%	0.851	79%	0.786	S	S	*	*			trans	-71.1	110.2	176.8	-69	-91.5	0	0	0	112.1	R1020	F1018-R1020 PolarHBondContact O-N 2.77Å
1019	I	24.9	Very low	24.8	Very low	155 Å²	155	144.9 Å²	144.9	80%	0.795	78%	0.783	S	S	*	*			trans	-87.7	106.5	168	-58.5	177.3	0	0	0	108.8	P1017 T1021	P1017-I1019 PolarHBondContact O-N 3.32Å; I1019-T1021 PolarHBondContact O-N 3.45Å
1020	R	24.7	Very low	24.8	Very low	237 Å²	237	148 Å²	148	89%	0.894	78%	0.783	S	S	*	*			trans	-73.8	108.9	172.4	-78.3	-175.9	178.8	-177.4	0.3	110.3	F1018	F1018-R1020 PolarHBondContact O-N 2.77Å
1021	T	26.4	Very low	24.7	Very low	126 Å²	126	148.4 Å²	148.4	77%	0.773	78%	0.78	S	S	*	*			trans	-78.5	129.2	168.7	54.1	0	0	0	0	110.5	I1019	I1019-T1021 PolarHBondContact O-N 3.45Å
1022	S	25.9	Very low	24.8	Very low	100 Å²	100	149.7 Å²	149.7	70%	0.699	78%	0.784	S	S	*	*			trans	-65.1	130.5	179.4	45.1	0	0	0	0	112.8	I1024	S1022-I1024 PolarHBondContact O-N 3.14Å
1023	N	25.3	Very low	24.8	Very low	161 Å²	161	146 Å²	146	86%	0.861	78%	0.778	S	S	*	*			trans	-53.2	103.4	170	-76.6	-17.5	0	0	0	111.5
1024	I	25.8	Very low	24.7	Very low	140 Å²	140	149.3 Å²	149.3	72%	0.718	79%	0.786	S	S	*	*			trans	-90.8	98.5	159.1	-65.1	173.6	0	0	0	106	S1022 T1026	S1022-I1024 PolarHBondContact O-N 3.14Å; I1024-T1026 VanDerWaalsContact C-N 3.34Å; I1024-T1026 HydrophobicContact CG2-CG2 3.97Å; I1024-T1026 PolarHBondContact O-N 2.8Å; I1024-T1026 VanDerWaalsContact O-N 3.1Å
1025	Q	23.9	Very low	24.9	Very low	174 Å²	174	149.1 Å²	149.1	81%	0.813	78%	0.781	S	S	*	*			trans	-73.2	86.9	167.9	-82.4	179.9	-25.1	0	0	109	K1027	Q1025-K1027 PolarHBondContact O-N 3.49Å
1026	T	25.3	Very low	24.8	Very low	108 Å²	108	148.4 Å²	148.4	66%	0.663	78%	0.782	S	S	*	*			trans	-84.5	92.4	160.4	40.4	0	0	0	0	108.6	I1024 L1028	I1024-T1026 VanDerWaalsContact C-N 3.34Å; I1024-T1026 HydrophobicContact CG2-CG2 3.97Å; I1024-T1026 PolarHBondContact O-N 2.8Å; I1024-T1026 VanDerWaalsContact O-N 3.1Å; T1026-L1028 PolarHBondContact O-N 3.45Å
1027	K	23.5	Very low	25	Very low	197 Å²	197	154.5 Å²	154.5	86%	0.857	80%	0.797	S	S	*	*			trans	-63.4	96.3	161.7	-83.7	-177.6	174	180	0	108.1	Q1025 N1029	Q1025-K1027 PolarHBondContact O-N 3.49Å; K1027-N1029 PolarHBondContact O-N 3.47Å
1028	L	25.1	Very low	25.1	Very low	147 Å²	147	154 Å²	154	77%	0.77	79%	0.794	S	S	*	*			trans	-78.1	103.4	166.9	-89.6	148.5	0	0	0	108.1	T1026 W1030	T1026-L1028 PolarHBondContact O-N 3.45Å; L1028-W1030 PolarHBondContact O-N 3.02Å
1029	N	24.5	Very low	25	Very low	143 Å²	143	151.5 Å²	151.5	77%	0.765	79%	0.794	S	S	*	*			trans	-79.2	109.5	179.6	-148.1	11.2	0	0	0	108.7	K1027 N1031	K1027-N1029 PolarHBondContact O-N 3.47Å; N1029-N1031 PolarHBondContact O-N 3.28Å
1030	W	22	Very low	25	Very low	238 Å²	238	153.4 Å²	153.4	90%	0.902	80%	0.796	S	S	*	*			trans	-79.7	89.8	175.8	-79.4	62.6	0	0	0	109.4	L1028	L1028-W1030 PolarHBondContact O-N 3.02Å
1031	N	25.3	Very low	24.8	Very low	135 Å²	135	151.1 Å²	151.1	72%	0.722	80%	0.795	S	S	*	*			trans	-111.1	96.2	162.7	-83.5	-6.6	0	0	0	108.9	N1029 S1033	N1029-N1031 PolarHBondContact O-N 3.28Å; N1031-S1033 PolarHBondContact O-N 3.3Å
1032	S	23.6	Very low	24.8	Very low	118 Å²	118	152.8 Å²	152.8	83%	0.825	80%	0.798	S	S	*	*			trans	-61	105.6	167.4	53.2	0	0	0	0	109.8
1033	S	24.4	Very low	24.6	Very low	105 Å²	105	153.6 Å²	153.6	73%	0.734	80%	0.799	S	S	*	*			trans	-92.2	109.2	163.7	21.8	0	0	0	0	107.8	N1031 V1035	N1031-S1033 PolarHBondContact O-N 3.3Å; S1033-V1035 PolarHBondContact O-N 2.8Å
1034	Q	22.6	Very low	24.5	Very low	185 Å²	185	150.5 Å²	150.5	86%	0.864	79%	0.79	S	S	*	*			trans	-61.2	116.1	166.9	-75.3	174.1	-30	0	0	108.6
1035	V	28.1	Very low	24.4	Very low	125 Å²	125	150.7 Å²	150.7	76%	0.758	79%	0.793	S	S	*	*			trans	-117.5	96.4	164	-179.7	0	0	0	0	106.7	S1033	S1033-V1035 PolarHBondContact O-N 2.8Å
1036	N	22.7	Very low	24.6	Very low	151 Å²	151	150.2 Å²	150.2	81%	0.807	80%	0.795	S	S	*	*			trans	-78.9	118.1	161	-81.8	-27.3	0	0	0	107.2
1037	E	27	Very low	24.5	Very low	180 Å²	180	155.1 Å²	155.1	84%	0.841	81%	0.807	S	S	*	*			trans	-153.1	145.1	154.6	-112.3	178.2	-160.2	0	0	111.1
1038	P	30.8	Very low	24.6	Very low	116 Å²	116	153.9 Å²	153.9	75%	0.753	81%	0.81	S	S	*	*			trans	-99.4	154	-148.8	37	-33.7	0	0	0	115.1	K1040	P1038-K1040 PolarHBondContact O-N 3.44Å
1039	V	23.3	Very low	24.6	Very low	141 Å²	141	150.1 Å²	150.1	86%	0.855	81%	0.806	S	S	*	*			trans	-38.5	115.2	169.6	-178.2	0	0	0	0	113
1040	K	24	Very low	24.7	Very low	195 Å²	195	150.7 Å²	150.7	85%	0.848	81%	0.809	S	S	*	*			trans	-119.5	117.4	157.1	-85.4	-174.5	177.2	177.2	0	110	P1038 I1042	P1038-K1040 PolarHBondContact O-N 3.44Å; K1040-I1042 PolarHBondContact O-N 3.31Å
1041	Q	22.3	Very low	24.8	Very low	188 Å²	188	148.7 Å²	148.7	88%	0.879	81%	0.81	S	S	*	*			trans	-52.8	125.6	165	-70.2	167.1	-29.3	0	0	110.2
1042	I	24.7	Very low	24.9	Very low	161 Å²	161	149.4 Å²	149.4	83%	0.826	81%	0.813	S	S	*	*			trans	-135.4	125.4	153.5	-61.8	-177.1	0	0	0	108.7	K1040	K1040-I1042 PolarHBondContact O-N 3.31Å
1043	T	23.3	Very low	25	Very low	118 Å²	118	149.3 Å²	149.3	72%	0.724	81%	0.812	S	S	*	*			trans	-61.8	143.5	179.3	40.8	0	0	0	0	114.5
1044	S	22.4	Very low	25.3	Very low	95 Å²	95	149.1 Å²	149.1	66%	0.664	81%	0.806	S	S	*	*			trans	7	115.3	145.1	57.9	0	0	0	0	118.4
1045	N	22.9	Very low	25.6	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	79%	0.785	S	S	*	*				164.2	113.5	119.9	-84.8	-19.9	0	0	0	110.1
1046	N	28	Very low	25.8	Very low	163 Å²	163	141.1 Å²	141.1	87%	0.872	78%	0.78	S	S	*	*				175.8	94.2	129.8	-87.2	-17.4	0	0	0	108.6	L1048	N1046-L1048 PolarHBondContact O-N 3.31Å
1047	K	24.7	Very low	26.3	Very low	211 Å²	211	141.6 Å²	141.6	92%	0.917	77%	0.771	S	S	*	*			trans	-68.8	112.4	163.8	-75.8	178.5	174.4	179.8	0	107.9
1048	L	25.1	Very low	26.7	Very low	172 Å²	172	137.1 Å²	137.1	90%	0.901	76%	0.756	S	S	*	*			trans	-143.1	108.4	152.4	-109.4	144.7	0	0	0	106.5	N1046 N1050	N1046-L1048 PolarHBondContact O-N 3.31Å; L1048-N1050 PolarHBondContact O-N 3.29Å
1049	G	24.8	Very low	27	Very low	68 Å²	68	132.5 Å²	132.5	70%	0.701	73%	0.726	S	S	*	*			trans	-66.8	126.4	-175.1	0	0	0	0	0	110.9
1050	N	26.1	Very low	27.7	Very low	154 Å²	154	129.9 Å²	129.9	82%	0.824	70%	0.701	S	S	*	*			trans	-110.9	102.1	144.7	-81.7	-19.2	0	0	0	105.2	L1048 L1052	L1048-N1050 PolarHBondContact O-N 3.29Å; N1050-L1052 PolarHBondContact O-N 3.49Å
1051	E	25.3	Very low	28.5	Very low	197 Å²	197	130.1 Å²	130.1	92%	0.921	70%	0.697	S	S	*	*			trans	-60.5	89.7	164.4	-73.3	179.7	159.8	0	0	107.5	S1053	E1051-S1053 PolarHBondContact O-N 3.02Å
1052	L	27.7	Very low	29.8	Very low	150 Å²	150	124.2 Å²	124.2	79%	0.785	68%	0.676	S	S	*	*			trans	-68.3	101.4	163.9	-87.3	152.5	0	0	0	106.2	N1050 V1054	N1050-L1052 PolarHBondContact O-N 3.49Å; L1052-V1054 VanDerWaalsContact C-N 3.27Å; L1052-V1054 WeakPolarHBondContact O-CG2 3.16Å; L1052-V1054 PolarHBondContact O-N 3.27Å
1053	S	24.7	Very low	30.8	Very low	116 Å²	116	116.9 Å²	116.9	81%	0.811	64%	0.639	S	S	*	*			trans	-57.3	93.7	164.2	60.7	0	0	0	0	108.2	E1051 G1055	E1051-S1053 PolarHBondContact O-N 3.02Å; S1053-G1055 PolarHBondContact O-N 2.92Å
1054	V	30	Very low	32.1	Very low	100 Å²	100	115.8 Å²	115.8	61%	0.606	63%	0.629	S	S	*	*			trans	-70.9	96.9	178.7	-176.8	0	0	0	0	107.4	L1052 T1058	L1052-V1054 VanDerWaalsContact C-N 3.27Å; L1052-V1054 WeakPolarHBondContact O-CG2 3.16Å; L1052-V1054 PolarHBondContact O-N 3.27Å; V1054-T1058 WeakPolarHBondContact CG1-OG1 3.48Å
1055	G	28.6	Very low	33.7	Very low	40 Å²	40	116 Å²	116	41%	0.412	62%	0.621	S	S	.	*			trans	-60.5	148.2	176.2	0	0	0	0	0	111.6	S1053 R1057 T1058	S1053-G1055 PolarHBondContact O-N 2.92Å; G1055-R1057 PolarHBondContact O-N 3.24Å; G1055-T1058 PolarHBondContact O-N 3.36Å; G1055-T1058 PolarHBondContact O-OG1 2.85Å
1056	P	34.3	Very low	35.3	Very low	102 Å²	102	110.7 Å²	110.7	66%	0.662	60%	0.597	S	S	*	*	H	α-helix	trans	-61.6	-7	-168.9	20.5	-32.1	0	0	0	116.1	S1059	P1056-S1059 PolarHBondContact O-OG 3.27Å
1057	R	31.4	Very low	36.3	Very low	162 Å²	162	103.7 Å²	103.7	61%	0.611	56%	0.56	S	S	*	*	H	α-helix	trans	-78.7	-34.9	178.7	-71.8	-174.1	177.4	-178.6	0.9	113.4	N823 G1055	N823-R1057 VanDerWaalsContact CG-NH2 3.29Å; N823-R1057 PolarHBondContact ND2-NH2 3.43Å; G1055-R1057 PolarHBondContact O-N 3.24Å
1058	T	36	Very low	37.8	Very low	86 Å²	86	95 Å²	95	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-74.9	-37.3	-179.5	49.4	0	0	0	0	111.1	V1054 G1055 R1060 R1061 S1062	V1054-T1058 WeakPolarHBondContact CG1-OG1 3.48Å; G1055-T1058 PolarHBondContact O-N 3.36Å; G1055-T1058 PolarHBondContact O-OG1 2.85Å; T1058-R1060 PolarHBondContact O-N 2.71Å; T1058-R1061 PolarHBondContact O-N 2.92Å; T1058-S1062 PolarHBondContact O-N 2.9Å; T1058-S1062 VanDerWaalsContact O-N 3.1Å; T1058-S1062 PolarHBondContact O-OG 3.49Å
1059	S	37	Very low	39.4	Very low	19 Å²	19	91 Å²	91	13%	0.133	51%	0.51	C	S	.	.	H	α-helix	trans	-58.7	-45.3	175.8	57.9	0	0	0	0	112.2	P1056 R1061 S1062 S1063	P1056-S1059 PolarHBondContact O-OG 3.27Å; S1059-R1061 PolarHBondContact O-N 3.11Å; S1059-S1062 WeakPolarHBondContact CA-OG 3.43Å; S1059-S1062 PolarHBondContact O-N 3.39Å; S1059-S1062 PolarHBondContact O-OG 2.74Å; S1059-S1063 VanDerWaalsContact O-CB 3.29Å; S1059-S1063 WeakPolarHBondContact O-CB 3.5Å; S1059-S1063 PolarHBondContact O-N 2.82Å; S1059-S1063 PolarHBondContact O-OG 3.09Å
1060	R	39.2	Very low	40.8	Very low	85 Å²	85	89.5 Å²	89.5	32%	0.321	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-39.9	177.3	-76.3	-174.7	178.8	-170.2	-5.5	114	I818 T1058 S1063 L1064	I818-R1060 PolarHBondContact O-NH1 3.25Å; T1058-R1060 PolarHBondContact O-N 2.71Å; R1060-S1063 WeakPolarHBondContact O-CB 3.23Å; R1060-S1063 PolarHBondContact O-N 3.42Å; R1060-L1064 PolarHBondContact O-N 3.38Å; R1060-L1064 VanDerWaalsContact O-N 3.09Å
1061	R	40.9	Very low	42	Very low	200 Å²	200	84.4 Å²	84.4	76%	0.755	46%	0.463	S	S	*	.	H	α-helix	trans	-72.5	-40.8	-178.1	-154.1	-179	-169.9	-171.4	3.6	111.3	T1058 S1059 S1063 I1065	T1058-R1061 PolarHBondContact O-N 2.92Å; S1059-R1061 PolarHBondContact O-N 3.11Å; R1061-S1063 PolarHBondContact O-N 2.72Å; R1061-I1065 WeakPolarHBondContact O-CD1 3.3Å; R1061-I1065 VanDerWaalsContact O-CG1 3.31Å; R1061-I1065 WeakPolarHBondContact O-CG1 3.31Å; R1061-I1065 PolarHBondContact O-N 2.7Å
1062	S	49.2	Very low	43.3	Very low	65 Å²	65	79.7 Å²	79.7	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-61.6	-35.3	169.3	46.9	0	0	0	0	111.5	T1058 S1059 A1066	T1058-S1062 PolarHBondContact O-N 2.9Å; T1058-S1062 VanDerWaalsContact O-N 3.1Å; T1058-S1062 PolarHBondContact O-OG 3.49Å; S1059-S1062 WeakPolarHBondContact CA-OG 3.43Å; S1059-S1062 PolarHBondContact O-N 3.39Å; S1059-S1062 PolarHBondContact O-OG 2.74Å; S1062-A1066 WeakPolarHBondContact O-CB 2.81Å; S1062-A1066 PolarHBondContact O-N 3.04Å
1063	S	44.6	Very low	44.6	Very low	7 Å²	7	77.4 Å²	77.4	5%	0.049	43%	0.432	C	S	.	.	H	α-helix	trans	-64	-54.4	-179.5	-74.3	0	0	0	0	112.7	V781 S1059 R1060 R1061 I1065 A1066 I1067	V781-S1063 WeakPolarHBondContact CG1-O 3.4Å; V781-S1063 VanDerWaalsContact CG2-CB 3.48Å; S1059-S1063 VanDerWaalsContact O-CB 3.29Å; S1059-S1063 WeakPolarHBondContact O-CB 3.5Å; S1059-S1063 PolarHBondContact O-N 2.82Å; S1059-S1063 PolarHBondContact O-OG 3.09Å; R1060-S1063 WeakPolarHBondContact O-CB 3.23Å; R1060-S1063 PolarHBondContact O-N 3.42Å; R1061-S1063 PolarHBondContact O-N 2.72Å; S1063-I1065 PolarHBondContact O-N 3.49Å; S1063-A1066 PolarHBondContact O-N 3.06Å; S1063-A1066 VanDerWaalsContact O-N 3.1Å; S1063-I1067 PolarHBondContact O-N 3.14Å
1064	L	51	Low	45.6	Very low	95 Å²	95	74.3 Å²	74.3	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-32.5	-179.7	-76.7	165.6	0	0	0	113.3	R1060 G1068	R1060-L1064 PolarHBondContact O-N 3.38Å; R1060-L1064 VanDerWaalsContact O-N 3.09Å; L1064-G1068 PolarHBondContact O-N 3.2Å
1065	I	56.8	Low	46.4	Very low	99 Å²	99	76 Å²	76	51%	0.508	41%	0.411	S	S	.	.	H	α-helix	trans	-65.5	-47.1	174.1	-66	168.6	0	0	0	110.1	R1061 S1063 I1067 G1068 D1069	R1061-I1065 WeakPolarHBondContact O-CD1 3.3Å; R1061-I1065 VanDerWaalsContact O-CG1 3.31Å; R1061-I1065 WeakPolarHBondContact O-CG1 3.31Å; R1061-I1065 PolarHBondContact O-N 2.7Å; S1063-I1065 PolarHBondContact O-N 3.49Å; I1065-I1067 VanDerWaalsContact C-N 3.3Å; I1065-I1067 PolarHBondContact O-N 3.29Å; I1065-G1068 WeakPolarHBondContact O-CA 3.34Å; I1065-G1068 PolarHBondContact O-N 3.15Å; I1065-D1069 PolarHBondContact O-N 3.18Å
1066	A	55.8	Low	47.4	Very low	33 Å²	33	79.1 Å²	79.1	27%	0.273	42%	0.422	S	S	.	.	H	α-helix	trans	-61.7	-34.5	177.9	0	0	0	0	0	113.3	V781 S1062 S1063 S1070	V781-A1066 HydrophobicContact CG1-CB 3.76Å; S1062-A1066 WeakPolarHBondContact O-CB 2.81Å; S1062-A1066 PolarHBondContact O-N 3.04Å; S1063-A1066 PolarHBondContact O-N 3.06Å; S1063-A1066 VanDerWaalsContact O-N 3.1Å; A1066-S1070 WeakPolarHBondContact O-CB 3.27Å; A1066-S1070 PolarHBondContact O-N 3.14Å; A1066-S1070 PolarHBondContact O-OG 3.3Å
1067	I	50	Low	47.6	Very low	16 Å²	16	85.4 Å²	85.4	8%	0.082	44%	0.439	C	S	.	.	H	α-helix	trans	-63.4	-50.1	170.1	-62.7	-175.5	0	0	0	110.1	V781 F785 L813 L816 S1063 I1065 D1069 S1070 V1071	V781-I1067 HydrophobicContact CB-CD1 4.47Å; V781-I1067 HydrophobicContact CB-CG1 4.17Å; V781-I1067 HydrophobicContact CG1-CD1 4.46Å; V781-I1067 HydrophobicContact CG1-CG1 3.69Å; V781-I1067 HydrophobicContact CG2-CD1 3.64Å; V781-I1067 HydrophobicContact CG2-CG1 3.84Å; F785-I1067 HydrophobicContact CD1-CG2 4.03Å; F785-I1067 HydrophobicContact CE1-CG2 3.72Å; F785-I1067 HydrophobicContact CZ-CG2 4.45Å; L813-I1067 HydrophobicContact CD2-CD1 4.22Å; L816-I1067 HydrophobicContact CD1-CD1 3.61Å; S1063-I1067 PolarHBondContact O-N 3.14Å; I1065-I1067 VanDerWaalsContact C-N 3.3Å; I1065-I1067 PolarHBondContact O-N 3.29Å; I1067-D1069 VanDerWaalsContact C-N 3.32Å; I1067-D1069 PolarHBondContact O-N 3.07Å; I1067-S1070 PolarHBondContact O-N 3.25Å; I1067-V1071 HydrophobicContact CG2-CG2 4.28Å; I1067-V1071 WeakPolarHBondContact O-CG2 3.31Å; I1067-V1071 PolarHBondContact O-N 3.4Å
1068	G	55	Low	48.4	Very low	30 Å²	30	81.6 Å²	81.6	31%	0.309	43%	0.43	S	S	.	.	H	α-helix	trans	-55.7	-46.8	178.9	0	0	0	0	0	112.2	L1064 I1065 V1071 I1072	L1064-G1068 PolarHBondContact O-N 3.2Å; I1065-G1068 WeakPolarHBondContact O-CA 3.34Å; I1065-G1068 PolarHBondContact O-N 3.15Å; G1068-V1071 PolarHBondContact O-N 3.27Å; G1068-I1072 WeakPolarHBondContact O-CB 3.2Å; G1068-I1072 VanDerWaalsContact O-CG1 3.23Å; G1068-I1072 WeakPolarHBondContact O-CG1 3.32Å; G1068-I1072 PolarHBondContact O-N 3.47Å
1069	D	59.4	Low	49	Very low	86 Å²	86	81.4 Å²	81.4	46%	0.46	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-39.7	178.2	-68.2	-19.5	0	0	0	111.9	I1065 I1067 I1072 N1073	I1065-D1069 PolarHBondContact O-N 3.18Å; I1067-D1069 VanDerWaalsContact C-N 3.32Å; I1067-D1069 PolarHBondContact O-N 3.07Å; D1069-I1072 PolarHBondContact O-N 3.48Å; D1069-N1073 VanDerWaalsContact O-CB 3.26Å; D1069-N1073 WeakPolarHBondContact O-CB 3.08Å; D1069-N1073 VanDerWaalsContact O-CG 3.3Å; D1069-N1073 PolarHBondContact O-N 3.25Å; D1069-N1073 PolarHBondContact O-ND2 2.8Å
1070	S	53.4	Low	49.7	Very low	37 Å²	37	84.8 Å²	84.8	26%	0.259	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-41.8	176.1	-67.3	0	0	0	0	112.3	A1066 I1067 N1073 L1074	A1066-S1070 WeakPolarHBondContact O-CB 3.27Å; A1066-S1070 PolarHBondContact O-N 3.14Å; A1066-S1070 PolarHBondContact O-OG 3.3Å; I1067-S1070 PolarHBondContact O-N 3.25Å; S1070-N1073 PolarHBondContact O-N 3.49Å; S1070-L1074 WeakPolarHBondContact O-CB 3.29Å; S1070-L1074 PolarHBondContact O-N 3.47Å
1071	V	51.1	Low	50.3	Low	48 Å²	48	84.8 Å²	84.8	29%	0.291	45%	0.448	S	S	.	.	H	α-helix	trans	-66.9	-43.1	176.4	172.9	0	0	0	0	110.8	L789 I1067 G1068 L1074 L1075	L789-V1071 HydrophobicContact CD1-CG2 3.73Å; L789-V1071 HydrophobicContact CD2-CG2 4.36Å; I1067-V1071 HydrophobicContact CG2-CG2 4.28Å; I1067-V1071 WeakPolarHBondContact O-CG2 3.31Å; I1067-V1071 PolarHBondContact O-N 3.4Å; G1068-V1071 PolarHBondContact O-N 3.27Å; V1071-L1074 PolarHBondContact O-N 3.27Å; V1071-L1075 HydrophobicContact CG1-CD1 3.96Å; V1071-L1075 HydrophobicContact CG1-CG 4.46Å; V1071-L1075 WeakPolarHBondContact O-CG 3.4Å; V1071-L1075 PolarHBondContact O-N 2.7Å
1072	I	53.3	Low	50.9	Low	97 Å²	97	77.6 Å²	77.6	50%	0.497	43%	0.429	S	S	.	.	H	α-helix	trans	-62.6	-45.1	176.1	-70.8	168.6	0	0	0	110.6	G1068 D1069 L1074 L1075 T1076	G1068-I1072 WeakPolarHBondContact O-CB 3.2Å; G1068-I1072 VanDerWaalsContact O-CG1 3.23Å; G1068-I1072 WeakPolarHBondContact O-CG1 3.32Å; G1068-I1072 PolarHBondContact O-N 3.47Å; D1069-I1072 PolarHBondContact O-N 3.48Å; I1072-L1074 VanDerWaalsContact C-N 3.26Å; I1072-L1074 PolarHBondContact O-N 3.32Å; I1072-L1075 PolarHBondContact O-N 3.26Å; I1072-T1076 HydrophobicContact CG2-CG2 4.42Å; I1072-T1076 WeakPolarHBondContact O-CB 3.45Å; I1072-T1076 WeakPolarHBondContact O-CG2 3.31Å; I1072-T1076 PolarHBondContact O-N 3.03Å; I1072-T1076 PolarHBondContact O-OG1 3.15Å
1073	N	54.5	Low	51	Low	103 Å²	103	78.5 Å²	78.5	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-62.8	-31.3	176	-81.4	-31.2	0	0	0	112.9	D1069 S1070 T1076 K1077	D1069-N1073 VanDerWaalsContact O-CB 3.26Å; D1069-N1073 WeakPolarHBondContact O-CB 3.08Å; D1069-N1073 VanDerWaalsContact O-CG 3.3Å; D1069-N1073 PolarHBondContact O-N 3.25Å; D1069-N1073 PolarHBondContact O-ND2 2.8Å; S1070-N1073 PolarHBondContact O-N 3.49Å; N1073-T1076 VanDerWaalsContact CA-OG1 3.23Å; N1073-T1076 WeakPolarHBondContact CA-OG1 3.22Å; N1073-T1076 PolarHBondContact O-OG1 2.99Å; N1073-K1077 WeakPolarHBondContact O-CG 3.15Å; N1073-K1077 PolarHBondContact O-N 2.68Å
1074	L	46.3	Very low	51.5	Low	51 Å²	51	83.6 Å²	83.6	27%	0.267	46%	0.455	S	S	.	.	H	α-helix	trans	-74	-41.8	174.7	-161.9	94.5	0	0	0	111.7	L789 P790 V793 S1070 V1071 I1072 T1076 K1077	L789-L1074 HydrophobicContact CB-CD2 4.4Å; P790-L1074 HydrophobicContact CB-CD1 4.21Å; P790-L1074 HydrophobicContact CG-CD1 3.91Å; V793-L1074 HydrophobicContact CG2-CD2 4.02Å; S1070-L1074 WeakPolarHBondContact O-CB 3.29Å; S1070-L1074 PolarHBondContact O-N 3.47Å; V1071-L1074 PolarHBondContact O-N 3.27Å; I1072-L1074 VanDerWaalsContact C-N 3.26Å; I1072-L1074 PolarHBondContact O-N 3.32Å; L1074-T1076 VanDerWaalsContact C-N 3.29Å; L1074-T1076 PolarHBondContact O-N 3.22Å; L1074-K1077 PolarHBondContact O-N 3.06Å
1075	L	46.8	Very low	51.5	Low	136 Å²	136	82.7 Å²	82.7	71%	0.712	45%	0.451	S	S	*	.	H	α-helix	trans	-71.5	-24.3	178.6	-72.4	170.3	0	0	0	113.2	V1071 I1072	V1071-L1075 HydrophobicContact CG1-CD1 3.96Å; V1071-L1075 HydrophobicContact CG1-CG 4.46Å; V1071-L1075 WeakPolarHBondContact O-CG 3.4Å; V1071-L1075 PolarHBondContact O-N 2.7Å; I1072-L1075 PolarHBondContact O-N 3.26Å
1076	T	49.6	Very low	51.1	Low	104 Å²	104	81.3 Å²	81.3	64%	0.638	45%	0.447	S	S	*	.	H	α-helix	trans	-85.2	-18.9	176.6	42.6	0	0	0	0	113.4	I1072 N1073 L1074	I1072-T1076 HydrophobicContact CG2-CG2 4.42Å; I1072-T1076 WeakPolarHBondContact O-CB 3.45Å; I1072-T1076 WeakPolarHBondContact O-CG2 3.31Å; I1072-T1076 PolarHBondContact O-N 3.03Å; I1072-T1076 PolarHBondContact O-OG1 3.15Å; N1073-T1076 VanDerWaalsContact CA-OG1 3.23Å; N1073-T1076 WeakPolarHBondContact CA-OG1 3.22Å; N1073-T1076 PolarHBondContact O-OG1 2.99Å; L1074-T1076 VanDerWaalsContact C-N 3.29Å; L1074-T1076 PolarHBondContact O-N 3.22Å
1077	K	37.7	Very low	50.6	Low	235 Å²	235	85.7 Å²	85.7	100%	1.022	46%	0.463	S	S	*	.			trans	-88.6	0	169.8	-79.6	-177.2	177.2	179.4	0	110.7	N1073 L1074	N1073-K1077 WeakPolarHBondContact O-CG 3.15Å; N1073-K1077 PolarHBondContact O-N 2.68Å; L1074-K1077 PolarHBondContact O-N 3.06Å

Retrieved 1,077 of 1,077 residues in 1513.6 ms (Link to these results)

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