X2JDD7_DROME Loading...

Tiggrin, isoform B

AlphaFold DB (Q9VMD9), UniProt , Accession X2JDD7, Species DROME (Drosophila melanogaster, Fruit fly), Gene Tig, Length 2,188 aa.

						>X2JDD7_DROME|X2JDD7|Tig
MRALGGITLLLAVAICQGYETYQRSSFRSSSSSSYGGGQTVPQLNSFASAHFNEVRELANQLKQKFNVLSQGSTNFAYTSPWSASILDLSGKSTLQLDQLSSEISRQLVQDMREGITNYHTIAQPNFFEAKAAELLERYSGAESASLQQTVGLGPYQPVDLSGFDEVKNYAYPAEVKVIDGKTYVVHRNCTEATKLSDYGSSGQLNSGFLGHQQTSLPLSSTTTTITRKKTIHDWVRENMEPSVVGYNSVVKLDGQLRNSALNQMVPLSPGSNVVIHRFNKTITTNPDGTSSVGGSEWQQRWQDGKLVYDHQQPFGQSTIPRDEQWKREERERLFWYLTTPQRLDDWQQQQEERLLGVVQRYQVSLPVLKEFHRRELARYEALLGQYQSRVQDTSSWQRQERGRLDWLIHQNGFTVQDIERWQNENARKLAEAARQHGISQNQLQQFQREELQRLYVHFNQVNESLAPQVPSVPQTTYNYQSSSSLTEDNTKEQQRLEELIRQHNATIAALQNSIKTDQQRLKNLSIKYQGDMQSQTQWLRGEVARIGDLIKEQNEQVSKITAWQSSERSRLENILLQHRGSVEEVQQRINMDRNYLQNLATKYQVSVEELEKWQKEELERLQVRGQQQLEEHIKDWQISVSSNLRDIATQNKLTIDEFQNYIINDRSHLEEMARLYKVKVEEIEQWIKSELKKFQSEGLLKGVEQELIQWQQKERERLQAIVQQNSLTVEQLEVRIKNDQDHFFKLADKYKINVEDIQDWLKKELLRLQSEGLVKAETLKEWQQQERAQISLLVQQNKYSLDEFERKMLADRARLQELSNTYNVKVSEIEQWIKSEGDRLQHEGQLRMESQLNNWQKIERQRLLDLINKNNLSIEEIESKISKDQTHLYSLAQQHQVRVEEIEQWIRQQIQKLQDQGLIEMQKLKNWQLEWRGNLTNMVQDRDFTVEEFHKWLLKDREQLQSLAMQHNVQIEEIEQFVKKEEQRFIGMGLLKPSEKLTNWQEVERLHLKNLAQQQYKSTEQLEARLRQDRELLERLARQYSVQVEEIESWMKQELARMRDEGQLQIDNLTSWQLAERERLEALIKQNKQWSAEELRAELEKDREHMQTMAFQYHTSVEEIEKWLQSEIERLKQQGKLNIEQLTAWQRTEQQRILSLLQQHSNITLEQFQAKVHNDRRFLMNLAEQHHVHIEEVDNYVKQVIEDLRKNGQFEIEQLQTWQRVERDYIKSLISEYKNSLSTAEYEEKLLADRAHLKHLADQYRINVEQIEEWMIAELKRLRGSTEETLKSLSAWQVSELERLQNLVKQQNHLTFVEFEMELNQERDRLQKLANQYSVNVVEIEEWLRQQLINLRTTGQAKVENLSKWQVEEQQRLIEMLLKKQQEMPYEQVERELTQDHARLQSLSQTHHVDIDHVDHWLREELRRLQSSGLVQIEQQTQWQQKISNGFNNWLEQQRNGASYQDFVDFLKRDKQRMDGIATDYHVTVEQVEKWVQKEAARLSLIGVIERPENNLKYEDISNIWVGDQTDSWKNELVTRLRSVTRQRPFTRQEFESYLIRNKPIFEQIARQYHVTIEDIHLWLDQSAKNEGLVTTEWQAKERLHIDNLINQQLRKQQRWTIEELELRLNNDQKHLQDAVAQYHVTVEELKVWYKDELNRLLEQRRIDRGSGISWQNIESQRIYLAIVNNPGISRQALENRLFRDVHVRASQYQITVEELRQFILSQLRRFSDMGLIVDNGRQANNWHDQERKRLREVVKGVVITEQELLDFISQDTSFQTQLAQSYQVGLEQLAPVQRIFIGNLAREQLLEQRRLNHLTTWQQRERDRLYEFIGNQNMTQTELKTWQIQDSKLLAEFAKRYEISVQQLSDWQKKELARINQLARYYGMSQSDLQQFREGELRQLAYINHRQLLSAAEAQKWEKRHQWTLSRLQSRYGKFGQELVAWRRTLYLLSQGLIDLPADSGSNGGYVVDAGSTNATAVYKPIFSKDRGDQPPHTYDESFVEGDEPGLEGETARPRPPNPAPIVSTPKPPLPYSRGGPSGGFEYRRQDYTFNVPVGSASASASGGPTGSSASASASLGKWNRASGDEPLQQEVDLGQQQQIEELGWNEKLEDLGQQTQVEDTDWNQQAEDLGQQQQVQVEDDLHFDQTQGHSSSSNSRSQPLQQATKVEVEATSEPSFWEKLKEKLG
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	31.9	Very low	211 Å²	211	151.2 Å²	151.2	100%	1.039	86%	0.86	S	S	*	*				0	139.5	0	-77	-140.1	-67.1	0	0	107.9
2	R	33.4	Very low	31.8	Very low	227 Å²	227	145.3 Å²	145.3	86%	0.857	84%	0.844	S	S	*	*			cis	-148.5	139.9	-13.8	-97.9	177.4	-178.9	150.5	0.7	105.7
3	A	28.1	Very low	31.6	Very low	98 Å²	98	144.8 Å²	144.8	81%	0.81	84%	0.843	S	S	*	*			trans	-92.8	150.4	176.9	0	0	0	0	0	111.9
4	L	35.6	Very low	31.2	Very low	184 Å²	184	140.2 Å²	140.2	96%	0.963	83%	0.831	S	S	*	*			trans	-174.1	142.3	163.9	-104.4	164.4	0	0	0	107.9
5	G	33	Very low	31	Very low	65 Å²	65	141.7 Å²	141.7	67%	0.67	83%	0.831	S	S	*	*			trans	157.6	-33.3	167.1	0	0	0	0	0	118.5	I7	G5-I7 PolarHBondContact O-N 2.87Å
6	G	31.2	Very low	31	Very low	82 Å²	82	139.9 Å²	139.9	85%	0.845	83%	0.827	S	S	*	*			trans	-76.9	83.1	-174.9	0	0	0	0	0	114.2
7	I	33.5	Very low	30.8	Very low	161 Å²	161	143.1 Å²	143.1	83%	0.826	83%	0.832	S	S	*	*			trans	-152.8	67.7	172.5	-91.4	137.9	0	0	0	109.9	G5	G5-I7 PolarHBondContact O-N 2.87Å
8	T	34.2	Very low	30.6	Very low	135 Å²	135	138.6 Å²	138.6	83%	0.828	82%	0.821	S	S	*	*			trans	-149.9	10	172.2	-1.5	0	0	0	0	115.7
9	L	28	Very low	30.4	Very low	168 Å²	168	142.4 Å²	142.4	88%	0.88	82%	0.821	S	S	*	*	S	Bend	trans	-110	61.6	178.5	-158.1	170.8	0	0	0	109.5
10	L	29.5	Very low	30.4	Very low	165 Å²	165	142.7 Å²	142.7	86%	0.864	82%	0.815	S	S	*	*	S	Bend	trans	-169.8	5.4	173.4	-113.6	164.5	0	0	0	118.2
11	L	30.9	Very low	30.2	Very low	167 Å²	167	140.4 Å²	140.4	87%	0.874	80%	0.804	S	S	*	*			trans	-144.5	135.7	178.9	-76.3	163.4	0	0	0	109.3
12	A	31	Very low	30	Very low	81 Å²	81	138.8 Å²	138.8	67%	0.669	79%	0.787	S	S	*	*			cis	-152.9	143.5	-18	0	0	0	0	0	105.4
13	V	28.3	Very low	29.8	Very low	138 Å²	138	134.8 Å²	134.8	84%	0.836	78%	0.778	S	S	*	*			cis	68	108.4	44.1	-175.1	0	0	0	0	113.5
14	A	26.7	Very low	29.8	Very low	81 Å²	81	140 Å²	140	67%	0.669	78%	0.777	S	S	*	*			trans	84.8	152.6	165.6	0	0	0	0	0	119.7
15	I	28.1	Very low	29.4	Very low	162 Å²	162	135.6 Å²	135.6	83%	0.831	76%	0.762	S	S	*	*			trans	72.7	119.1	163.7	-54.8	146.9	0	0	0	114.2
16	C	30.9	Very low	29.2	Very low	114 Å²	114	137.4 Å²	137.4	77%	0.77	76%	0.764	S	S	*	*			cis	-132.3	152	0.3	-88.3	0	0	0	0	108.2
17	Q	27.7	Very low	28.9	Very low	194 Å²	194	142.5 Å²	142.5	91%	0.907	76%	0.763	S	S	*	*			cis	64.9	106.7	29.9	-73.8	-163.6	-9.3	0	0	117.4
18	G	26.7	Very low	28.7	Very low	62 Å²	62	145.6 Å²	145.6	64%	0.639	76%	0.764	S	S	*	*			trans	162.9	127.8	143.5	0	0	0	0	0	118.4
19	Y	27.8	Very low	28.3	Very low	211 Å²	211	143.7 Å²	143.7	83%	0.827	76%	0.757	S	S	*	*			trans	49.4	133	136.4	-62.9	-96	0	0	0	120.3
20	E	29.1	Very low	28.1	Very low	147 Å²	147	140.6 Å²	140.6	69%	0.687	75%	0.749	S	S	*	*			cis	-159.6	163	-4.9	-133.8	-179.3	-175.9	0	0	113.8
21	T	26.5	Very low	28	Very low	96 Å²	96	138 Å²	138	59%	0.589	75%	0.745	S	S	*	*			trans	-32.7	161.3	164.8	51.6	0	0	0	0	119.4
22	Y	29.6	Very low	27.7	Very low	177 Å²	177	134.1 Å²	134.1	69%	0.694	73%	0.732	S	S	*	*				178.8	114.3	103.4	-106.3	-85.5	0	0	0	114.8
23	Q	29.4	Very low	27.5	Very low	142 Å²	142	134.6 Å²	134.6	66%	0.664	73%	0.73	S	S	*	*			trans	61.6	157	148.7	-69.6	-177.6	25.2	0	0	119.7
24	R	28.7	Very low	27.4	Very low	208 Å²	208	132.2 Å²	132.2	79%	0.785	72%	0.719	S	S	*	*			cis	-154.4	148.4	1.1	-130.6	171.4	-177.4	-171.1	2.3	112.3
25	S	26.8	Very low	27.4	Very low	92 Å²	92	138.1 Å²	138.1	64%	0.643	73%	0.726	S	S	*	*			trans	-19.6	149.7	154.5	62.8	0	0	0	0	118.4
26	S	28.5	Very low	27.4	Very low	102 Å²	102	132.6 Å²	132.6	71%	0.713	71%	0.709	S	S	*	*				-170	137.5	52.5	-73.9	0	0	0	0	115.9
27	F	26.1	Very low	27.2	Very low	189 Å²	189	129.8 Å²	129.8	83%	0.829	70%	0.699	S	S	*	*				25.9	142.8	124.1	-83.5	-79	0	0	0	123.8
28	R	27.5	Very low	27.1	Very low	226 Å²	226	121.3 Å²	121.3	85%	0.853	66%	0.664	S	S	*	*			trans	78.6	157.3	152	-68.1	166.1	-179.8	-153.5	0	118.2
29	S	25.9	Very low	27.2	Very low	96 Å²	96	126 Å²	126	67%	0.671	67%	0.669	S	S	*	*			cis	-176.1	138.7	-29.4	-93.3	0	0	0	0	110.4
30	S	24.8	Very low	27.3	Very low	103 Å²	103	121.6 Å²	121.6	72%	0.72	66%	0.664	S	S	*	*			trans	57.2	157.8	148	58	0	0	0	0	121.7
31	S	26.5	Very low	27.2	Very low	111 Å²	111	119.7 Å²	119.7	78%	0.776	66%	0.662	S	S	*	*			trans	66.5	154	167.3	19.6	0	0	0	0	116.2
32	S	25.4	Very low	27.6	Very low	85 Å²	85	119.8 Å²	119.8	59%	0.594	66%	0.664	S	S	*	*			cis	-175.4	168.6	-20.3	48.4	0	0	0	0	108.4
33	S	26.1	Very low	28.2	Very low	91 Å²	91	118.8 Å²	118.8	64%	0.636	67%	0.666	S	S	*	*			trans	63	121.2	166.4	47.3	0	0	0	0	115.8
34	S	25.6	Very low	29.2	Very low	87 Å²	87	114 Å²	114	61%	0.608	65%	0.645	S	S	*	*				81.4	141.8	75.9	-162.8	0	0	0	0	113
35	Y	28.5	Very low	30.9	Very low	206 Å²	206	106.9 Å²	106.9	81%	0.808	62%	0.623	S	S	*	*			trans	61.2	149.6	-163.3	-65.6	-94.7	0	0	0	113.9
36	G	26.7	Very low	32.8	Very low	45 Å²	45	107.5 Å²	107.5	46%	0.464	63%	0.627	S	S	.	*			cis	134	116.4	-0.3	0	0	0	0	0	109.5	T2068	G36-T2068 WeakPolarHBondContact CA-OG1 3.33Å; G36-T2068 PolarHBondContact N-OG1 2.73Å
37	G	27.3	Very low	35.1	Very low	55 Å²	55	104 Å²	104	57%	0.567	60%	0.599	S	S	*	*			trans	89.5	100.9	-177.7	0	0	0	0	0	111.7	P2067	G37-P2067 CarbonylContact C-O 3.47Å; G37-P2067 VanDerWaalsContact CA-O 3.29Å; G37-P2067 WeakPolarHBondContact CA-O 3.17Å; G37-P2067 PolarHBondContact N-O 3.36Å; G37-P2067 WeakPolarHBondContact O-CB 3.24Å; G37-P2067 WeakPolarHBondContact O-CG 3.33Å
38	G	26.1	Very low	37.2	Very low	16 Å²	16	95 Å²	95	17%	0.165	56%	0.559	C	S	.	*			trans	-93.9	-116.4	166	0	0	0	0	0	131.7	P2067	G38-P2067 PolarHBondContact N-O 3.46Å; G38-P2067 WeakPolarHBondContact O-CD 3.28Å; G38-P2067 WeakPolarHBondContact O-CG 3.28Å
39	Q	27.7	Very low	39.4	Very low	160 Å²	160	87.7 Å²	87.7	75%	0.748	54%	0.543	S	S	*	.			trans	57.3	171.8	-151.3	-44.4	162	-89.1	0	0	108.1
40	T	30.8	Very low	41.7	Very low	119 Å²	119	86.5 Å²	86.5	73%	0.73	54%	0.539	S	S	*	.			cis	-109	143.2	-8.2	47.5	0	0	0	0	109.6
41	V	27.5	Very low	44.5	Very low	107 Å²	107	84 Å²	84	65%	0.648	52%	0.516	S	S	*	.			trans	-51.3	146.7	155.8	178.1	0	0	0	0	108.1	Q43	V41-Q43 HydrophobicContact CB-CG 4.27Å; V41-Q43 HydrophobicContact CG1-CG 4.27Å; V41-Q43 PolarHBondContact O-N 3.32Å
42	P	34.6	Very low	47.1	Very low	98 Å²	98	82.1 Å²	82.1	64%	0.636	49%	0.493	S	S	*	.			trans	-69.7	64.7	167.4	31.4	-36.2	0	0	0	110.7
43	Q	42.7	Very low	49.8	Very low	157 Å²	157	83.8 Å²	83.8	73%	0.734	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-64.3	146	160.3	-69.5	179.3	-50.8	0	0	108.2	V41 N45	V41-Q43 HydrophobicContact CB-CG 4.27Å; V41-Q43 HydrophobicContact CG1-CG 4.27Å; V41-Q43 PolarHBondContact O-N 3.32Å; Q43-N45 PolarHBondContact O-N 3.07Å
44	L	49.6	Very low	52.7	Low	41 Å²	41	80.9 Å²	80.9	22%	0.215	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-51.9	129.6	155.9	-71.9	163.1	0	0	0	107.4	A48 F52 E129	L44-A48 HydrophobicContact CB-CB 3.96Å; L44-A48 HydrophobicContact CD2-CB 4.14Å; L44-F52 HydrophobicContact CD1-CD2 3.79Å; L44-F52 HydrophobicContact CD1-CE2 3.66Å; L44-E129 HydrophobicContact CD2-CB 4.03Å
45	N	64.9	Low	55.5	Low	59 Å²	59	76.7 Å²	76.7	32%	0.316	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-62.4	169.5	-173.3	67.3	8.1	0	0	0	111.7	Q43 F47 A48 S49 E137	Q43-N45 PolarHBondContact O-N 3.07Å; N45-F47 PolarHBondContact O-N 3.35Å; N45-F47 VanDerWaalsContact O-N 3.13Å; N45-A48 PolarHBondContact O-N 2.8Å; N45-A48 WeakPolarHBondContact OD1-CB 3.29Å; N45-A48 PolarHBondContact OD1-N 2.93Å; N45-S49 PolarHBondContact O-N 2.72Å; N45-S49 PolarHBondContact O-OG 2.8Å; N45-E137 VanDerWaalsContact ND2-CD 3.32Å; N45-E137 PolarHBondContact ND2-OE1 3.37Å; N45-E137 PolarHBondContact ND2-OE2 2.98Å
46	S	66.3	Low	58.2	Low	104 Å²	104	73.1 Å²	73.1	73%	0.727	43%	0.428	S	S	*	.	H	α-helix	trans	-56.6	-32.9	-176.3	49.5	0	0	0	0	112.8	S49 A50	S46-S49 WeakPolarHBondContact CA-OG 3.47Å; S46-S49 PolarHBondContact O-OG 3.29Å; S46-A50 WeakPolarHBondContact O-CB 3.29Å; S46-A50 PolarHBondContact O-N 3Å; S46-A50 VanDerWaalsContact O-N 3.14Å
47	F	77.4	Confident	61	Low	30 Å²	30	73.7 Å²	73.7	13%	0.132	42%	0.419	C	S	.	.	H	α-helix	trans	-66.1	-50.8	172.5	176.5	-91.5	0	0	0	111.9	N45 S49 A50 H51 L136 E137 S140	N45-F47 PolarHBondContact O-N 3.35Å; N45-F47 VanDerWaalsContact O-N 3.13Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-S49 PolarHBondContact O-N 2.99Å; F47-A50 PolarHBondContact O-N 2.82Å; F47-H51 AromaticContact CD2-CD2 3.6Å; F47-H51 AromaticContact CE2-CD2 3.29Å; F47-H51 WeakPolarHBondContact CE2-CD2 3.46Å; F47-H51 AromaticContact CE2-NE2 3.77Å; F47-H51 AromaticContact CZ-CD2 3.62Å; F47-H51 PolarHBondContact O-CD2 3.46Å; F47-H51 PolarHBondContact O-N 3.43Å; F47-L136 HydrophobicContact CE1-CB 3.59Å; F47-L136 HydrophobicContact CZ-CB 3.91Å; F47-E137 HydrophobicContact CD1-CB 3.73Å; F47-E137 HydrophobicContact CD1-CG 4.29Å; F47-E137 HydrophobicContact CE1-CB 3.94Å; F47-E137 VanDerWaalsContact CE1-N 3.27Å; F47-E137 HydrophobicContact CG-CB 4.21Å; F47-E137 HydrophobicContact CG-CG 4.3Å; F47-S140 WeakPolarHBondContact CE2-OG 3.2Å; F47-S140 VanDerWaalsContact CZ-OG 3.26Å; F47-S140 WeakPolarHBondContact CZ-OG 3.34Å
48	A	69.4	Low	63.9	Low	0 Å²	0	71.3 Å²	71.3	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-71.1	-23.6	-177.1	0	0	0	0	0	114.8	L44 N45 H51 F52 V55 A133	L44-A48 HydrophobicContact CB-CB 3.96Å; L44-A48 HydrophobicContact CD2-CB 4.14Å; N45-A48 PolarHBondContact O-N 2.8Å; N45-A48 WeakPolarHBondContact OD1-CB 3.29Å; N45-A48 PolarHBondContact OD1-N 2.93Å; A48-H51 CarbonylContact O-C 3.53Å; A48-F52 VanDerWaalsContact O-CA 3.22Å; A48-F52 WeakPolarHBondContact O-CA 3.47Å; A48-F52 PolarHBondContact O-N 3.07Å; A48-V55 HydrophobicContact CB-CG2 4.09Å; A48-A133 HydrophobicContact CB-CB 3.38Å
49	S	73	Confident	66.8	Low	72 Å²	72	70.7 Å²	70.7	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-81.3	-30.4	170.8	44.9	0	0	0	0	112.3	N45 S46 F47	N45-S49 PolarHBondContact O-N 2.72Å; N45-S49 PolarHBondContact O-OG 2.8Å; S46-S49 WeakPolarHBondContact CA-OG 3.47Å; S46-S49 PolarHBondContact O-OG 3.29Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-S49 PolarHBondContact O-N 2.99Å
50	A	75.3	Confident	69.6	Low	71 Å²	71	67.2 Å²	67.2	59%	0.587	37%	0.373	S	S	*	.	H	α-helix	trans	-70.6	-35.5	169.9	0	0	0	0	0	112.9	S46 F47	S46-A50 WeakPolarHBondContact O-CB 3.29Å; S46-A50 PolarHBondContact O-N 3Å; S46-A50 VanDerWaalsContact O-N 3.14Å; F47-A50 PolarHBondContact O-N 2.82Å
51	H	82.4	Confident	72.3	Confident	51 Å²	51	62 Å²	62	24%	0.236	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	36.5	-179	-60.6	-60.2	0	0	0	112.5	F47 A48 N53 E54 V55 L89	F47-H51 AromaticContact CD2-CD2 3.6Å; F47-H51 AromaticContact CE2-CD2 3.29Å; F47-H51 WeakPolarHBondContact CE2-CD2 3.46Å; F47-H51 AromaticContact CE2-NE2 3.77Å; F47-H51 AromaticContact CZ-CD2 3.62Å; F47-H51 PolarHBondContact O-CD2 3.46Å; F47-H51 PolarHBondContact O-N 3.43Å; A48-H51 CarbonylContact O-C 3.53Å; H51-N53 VanDerWaalsContact C-N 3.29Å; H51-N53 PolarHBondContact O-N 2.87Å; H51-E54 WeakPolarHBondContact CA-OE2 3.47Å; H51-E54 HydrophobicContact CB-CB 4.37Å; H51-E54 PolarHBondContact O-N 3.02Å; H51-V55 WeakPolarHBondContact O-CB 3.4Å; H51-V55 VanDerWaalsContact O-CG2 3.31Å; H51-V55 WeakPolarHBondContact O-CG2 3.46Å; H51-V55 PolarHBondContact O-N 3.18Å; H51-L89 HydrophobicContact CB-CD1 4.25Å; H51-L89 WeakPolarHBondContact ND1-CD1 3.26Å
52	F	81.5	Confident	75.2	Confident	70 Å²	70	57 Å²	57	31%	0.307	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-34	-171.3	-178	-107.5	0	0	0	113.8	L44 A48 R56	L44-F52 HydrophobicContact CD1-CD2 3.79Å; L44-F52 HydrophobicContact CD1-CE2 3.66Å; A48-F52 VanDerWaalsContact O-CA 3.22Å; A48-F52 WeakPolarHBondContact O-CA 3.47Å; A48-F52 PolarHBondContact O-N 3.07Å; F52-R56 WeakPolarHBondContact O-CB 3.18Å; F52-R56 PolarHBondContact O-N 3.07Å
53	N	82.6	Confident	77.7	Confident	121 Å²	121	57 Å²	57	65%	0.647	30%	0.3	S	S	*	.	H	α-helix	trans	-69	-44.7	177.9	-67.9	-35.4	0	0	0	111	H51 R56 E57	H51-N53 VanDerWaalsContact C-N 3.29Å; H51-N53 PolarHBondContact O-N 2.87Å; N53-R56 PolarHBondContact O-N 2.93Å; N53-E57 WeakPolarHBondContact O-CB 3.36Å; N53-E57 PolarHBondContact O-N 3.05Å
54	E	86.5	Confident	79.7	Confident	29 Å²	29	55 Å²	55	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-67.8	-42	179.1	-66.4	80.6	-172.2	0	0	111.6	H51 R56 L58 S85 I86 L89 L136	H51-E54 WeakPolarHBondContact CA-OE2 3.47Å; H51-E54 HydrophobicContact CB-CB 4.37Å; H51-E54 PolarHBondContact O-N 3.02Å; E54-R56 VanDerWaalsContact C-N 3.35Å; E54-L58 VanDerWaalsContact O-CB 3.29Å; E54-L58 WeakPolarHBondContact O-CB 3.31Å; E54-L58 PolarHBondContact O-N 2.96Å; E54-S85 WeakPolarHBondContact CG-OG 3.39Å; E54-S85 WeakPolarHBondContact OE1-CB 3.38Å; E54-S85 PolarHBondContact OE1-OG 3.03Å; E54-I86 HydrophobicContact CB-CD1 4.32Å; E54-I86 HydrophobicContact CB-CG1 3.68Å; E54-I86 HydrophobicContact CG-CG1 3.78Å; E54-L89 HydrophobicContact CB-CD1 4.15Å; E54-L89 HydrophobicContact CG-CD1 3.86Å; E54-L136 HydrophobicContact CB-CD1 4.13Å
55	V	85.9	Confident	81.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-44.8	170.5	166.3	0	0	0	0	110.6	A48 H51 A59 E129 A132 A133 L136	A48-V55 HydrophobicContact CB-CG2 4.09Å; H51-V55 WeakPolarHBondContact O-CB 3.4Å; H51-V55 VanDerWaalsContact O-CG2 3.31Å; H51-V55 WeakPolarHBondContact O-CG2 3.46Å; H51-V55 PolarHBondContact O-N 3.18Å; V55-A59 WeakPolarHBondContact O-CA 3.4Å; V55-A59 WeakPolarHBondContact O-CB 3.46Å; V55-A59 PolarHBondContact O-N 3.48Å; V55-E129 HydrophobicContact CG1-CB 4.18Å; V55-E129 VanDerWaalsContact CG1-O 3.26Å; V55-E129 WeakPolarHBondContact CG1-O 3.25Å; V55-A132 HydrophobicContact CG1-CB 4.11Å; V55-A132 VanDerWaalsContact O-CB 3.23Å; V55-A132 WeakPolarHBondContact O-CB 3.3Å; V55-A133 HydrophobicContact CG1-CB 4.36Å; V55-A133 HydrophobicContact CG2-CB 4.31Å; V55-L136 HydrophobicContact CB-CD1 4.46Å; V55-L136 HydrophobicContact CG2-CD1 3.83Å
56	R	84.5	Confident	82.6	Confident	131 Å²	131	50.6 Å²	50.6	49%	0.494	27%	0.267	S	S	.	.	H	α-helix	trans	-73.3	-34.5	-178.6	-174.3	168.6	170.2	-179.4	-3.8	113.1	F52 N53 E54 N60	F52-R56 WeakPolarHBondContact O-CB 3.18Å; F52-R56 PolarHBondContact O-N 3.07Å; N53-R56 PolarHBondContact O-N 2.93Å; E54-R56 VanDerWaalsContact C-N 3.35Å; R56-N60 VanDerWaalsContact O-CB 3.32Å; R56-N60 WeakPolarHBondContact O-CB 3.25Å; R56-N60 PolarHBondContact O-N 2.7Å; R56-N60 PolarHBondContact O-ND2 2.85Å; R56-N60 VanDerWaalsContact O-ND2 3.17Å
57	E	85.4	Confident	83.3	Confident	56 Å²	56	49.4 Å²	49.4	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-66.6	-46.5	171.4	178.4	-174.3	161.6	0	0	111	N53 A59 N60 Q61 W82 S83 I86	N53-E57 WeakPolarHBondContact O-CB 3.36Å; N53-E57 PolarHBondContact O-N 3.05Å; E57-A59 VanDerWaalsContact C-N 3.34Å; E57-A59 PolarHBondContact O-N 2.98Å; E57-N60 PolarHBondContact O-N 2.97Å; E57-Q61 PolarHBondContact O-N 3.01Å; E57-W82 WeakPolarHBondContact OE1-CA 3.4Å; E57-S83 PolarHBondContact OE1-N 3.46Å; E57-S83 PolarHBondContact OE1-OG 2.86Å; E57-S83 WeakPolarHBondContact OE2-CB 3.49Å; E57-S83 PolarHBondContact OE2-OG 3.24Å; E57-I86 HydrophobicContact CB-CD1 3.88Å; E57-I86 HydrophobicContact CG-CD1 3.77Å; E57-I86 WeakPolarHBondContact OE2-CD1 3.34Å
58	L	88.6	Confident	83.5	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-69.7	-30.8	177.1	-165.6	138.8	0	0	0	112.3	E54 Q61 L62 W82 I86 L97 A132 L135 L136	E54-L58 VanDerWaalsContact O-CB 3.29Å; E54-L58 WeakPolarHBondContact O-CB 3.31Å; E54-L58 PolarHBondContact O-N 2.96Å; L58-Q61 PolarHBondContact O-N 2.71Å; L58-L62 HydrophobicContact CD2-CD1 3.63Å; L58-L62 HydrophobicContact CD2-CG 4.13Å; L58-L62 WeakPolarHBondContact O-CB 3.4Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 2.91Å; L58-W82 HydrophobicContact CB-CZ3 3.98Å; L58-W82 HydrophobicContact CD1-CH2 4.03Å; L58-W82 HydrophobicContact CD1-CZ3 3.74Å; L58-W82 HydrophobicContact CG-CH2 4.01Å; L58-W82 HydrophobicContact CG-CZ3 3.83Å; L58-I86 HydrophobicContact CB-CD1 4.4Å; L58-I86 HydrophobicContact CD1-CG2 4.23Å; L58-L97 HydrophobicContact CD1-CD2 4.43Å; L58-A132 HydrophobicContact CB-CB 4.17Å; L58-A132 HydrophobicContact CD2-CB 3.51Å; L58-A132 HydrophobicContact CG-CB 4.46Å; L58-L135 HydrophobicContact CD2-CD1 4.42Å; L58-L136 HydrophobicContact CB-CD1 4.27Å; L58-L136 HydrophobicContact CD1-CD1 4.49Å; L58-L136 HydrophobicContact CD1-CD2 4.05Å; L58-L136 HydrophobicContact CD1-CG 4.15Å
59	A	87.2	Confident	84.1	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-41.8	169.7	0	0	0	0	0	111.9	V55 E57 L62 K63 F128 E129 A132	V55-A59 WeakPolarHBondContact O-CA 3.4Å; V55-A59 WeakPolarHBondContact O-CB 3.46Å; V55-A59 PolarHBondContact O-N 3.48Å; E57-A59 VanDerWaalsContact C-N 3.34Å; E57-A59 PolarHBondContact O-N 2.98Å; A59-L62 PolarHBondContact O-N 2.94Å; A59-K63 WeakPolarHBondContact O-CB 3.35Å; A59-K63 PolarHBondContact O-N 3.34Å; A59-F128 VanDerWaalsContact CB-C 3.47Å; A59-F128 HydrophobicContact CB-CB 3.97Å; A59-F128 VanDerWaalsContact CB-O 3.31Å; A59-F128 WeakPolarHBondContact CB-O 3.34Å; A59-E129 HydrophobicContact CB-CB 4.5Å; A59-E129 HydrophobicContact CB-CG 4.03Å; A59-A132 HydrophobicContact CB-CB 3.9Å
60	N	85.4	Confident	84.2	Confident	87 Å²	87	46.3 Å²	46.3	47%	0.465	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-41.5	173.8	-76.7	-28.7	0	0	0	111.4	R56 E57 K63 Q64	R56-N60 VanDerWaalsContact O-CB 3.32Å; R56-N60 WeakPolarHBondContact O-CB 3.25Å; R56-N60 PolarHBondContact O-N 2.7Å; R56-N60 PolarHBondContact O-ND2 2.85Å; R56-N60 VanDerWaalsContact O-ND2 3.17Å; E57-N60 PolarHBondContact O-N 2.97Å; N60-K63 PolarHBondContact O-N 3.02Å; N60-Q64 VanDerWaalsContact O-CB 3.29Å; N60-Q64 WeakPolarHBondContact O-CB 3.2Å; N60-Q64 WeakPolarHBondContact O-CG 3.22Å; N60-Q64 PolarHBondContact O-N 3.49Å
61	Q	87.4	Confident	84.2	Confident	10 Å²	10	46.4 Å²	46.4	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-47.8	171.6	-94.7	-101.7	10.5	0	0	111.8	E57 L58 K63 Q64 K65 S80 W82	E57-Q61 PolarHBondContact O-N 3.01Å; L58-Q61 PolarHBondContact O-N 2.71Å; Q61-K63 PolarHBondContact O-N 3.49Å; Q61-Q64 PolarHBondContact O-N 3.28Å; Q61-K65 VanDerWaalsContact O-CB 3.29Å; Q61-K65 WeakPolarHBondContact O-CB 3.31Å; Q61-K65 VanDerWaalsContact O-CG 3.29Å; Q61-K65 WeakPolarHBondContact O-CG 3.38Å; Q61-K65 PolarHBondContact O-N 3.28Å; Q61-K65 VanDerWaalsContact OE1-NZ 3.12Å; Q61-S80 PolarHBondContact NE2-O 2.74Å; Q61-W82 HydrophobicContact CB-CH2 3.5Å; Q61-W82 HydrophobicContact CB-CZ2 4.14Å; Q61-W82 HydrophobicContact CB-CZ3 3.99Å; Q61-W82 HydrophobicContact CG-CE3 4.35Å; Q61-W82 HydrophobicContact CG-CH2 3.49Å; Q61-W82 VanDerWaalsContact CG-CH2 3.49Å; Q61-W82 HydrophobicContact CG-CZ2 3.78Å; Q61-W82 HydrophobicContact CG-CZ3 3.79Å
62	L	89.1	Confident	83.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-38.5	176.8	-76.8	172.1	0	0	0	112.4	L58 A59 K65 F66 I104 S105 F128 A132 L135	L58-L62 HydrophobicContact CD2-CD1 3.63Å; L58-L62 HydrophobicContact CD2-CG 4.13Å; L58-L62 WeakPolarHBondContact O-CB 3.4Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 2.91Å; A59-L62 PolarHBondContact O-N 2.94Å; L62-K65 CarbonylContact O-C 3.49Å; L62-K65 PolarHBondContact O-N 3.08Å; L62-F66 WeakPolarHBondContact O-CB 3.42Å; L62-F66 PolarHBondContact O-N 3.47Å; L62-I104 HydrophobicContact CD2-CB 4.11Å; L62-I104 HydrophobicContact CD2-CG2 3.96Å; L62-S105 PolarHBondContact O-OG 2.79Å; L62-F128 HydrophobicContact CB-CD1 3.98Å; L62-A132 HydrophobicContact CD1-CB 4.3Å; L62-L135 HydrophobicContact CD1-CD1 3.74Å
63	K	87.6	Confident	82.7	Confident	99 Å²	99	44.3 Å²	44.3	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-71.4	-42.4	177.3	-172.2	173.5	-179.9	176.8	0	111.5	A59 N60 Q61 K65 F66 N67 F128	A59-K63 WeakPolarHBondContact O-CB 3.35Å; A59-K63 PolarHBondContact O-N 3.34Å; N60-K63 PolarHBondContact O-N 3.02Å; Q61-K63 PolarHBondContact O-N 3.49Å; K63-K65 VanDerWaalsContact C-N 3.27Å; K63-K65 PolarHBondContact O-N 2.85Å; K63-F66 PolarHBondContact O-N 2.77Å; K63-N67 WeakPolarHBondContact O-CA 3.21Å; K63-N67 VanDerWaalsContact O-CB 3.23Å; K63-N67 WeakPolarHBondContact O-CB 3.4Å; K63-N67 PolarHBondContact O-N 2.72Å; K63-N67 PolarHBondContact O-OD1 2.79Å; K63-F128 HydrophobicContact CB-CB 4.34Å; K63-F128 HydrophobicContact CB-CD1 3.97Å; K63-F128 HydrophobicContact CB-CD2 4.04Å; K63-F128 HydrophobicContact CB-CE1 4.28Å; K63-F128 HydrophobicContact CB-CE2 4.35Å; K63-F128 HydrophobicContact CB-CG 3.83Å; K63-F128 HydrophobicContact CB-CZ 4.46Å; K63-F128 HydrophobicContact CD-CD2 4.04Å; K63-F128 HydrophobicContact CD-CE2 4.37Å; K63-F128 HydrophobicContact CG-CD2 3.98Å; K63-F128 HydrophobicContact CG-CE2 4.01Å; K63-F128 HydrophobicContact CG-CG 4.3Å; K63-F128 HydrophobicContact CG-CZ 4.37Å
64	Q	84.6	Confident	82.1	Confident	115 Å²	115	42.3 Å²	42.3	54%	0.537	22%	0.22	S	C	.	.	H	α-helix	trans	-65	-29.2	169.4	-81.8	-168.3	-37.6	0	0	112.4	N60 Q61 N67 V68	N60-Q64 VanDerWaalsContact O-CB 3.29Å; N60-Q64 WeakPolarHBondContact O-CB 3.2Å; N60-Q64 WeakPolarHBondContact O-CG 3.22Å; N60-Q64 PolarHBondContact O-N 3.49Å; Q61-Q64 PolarHBondContact O-N 3.28Å; Q64-N67 CarbonylContact O-C 3.58Å; Q64-V68 VanDerWaalsContact O-CB 3.27Å; Q64-V68 WeakPolarHBondContact O-CB 3.46Å; Q64-V68 WeakPolarHBondContact O-CG2 3Å; Q64-V68 PolarHBondContact O-N 3.14Å
65	K	87.1	Confident	81.1	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-85.3	-19	175.3	-71.4	-179.4	174.2	176.2	0	113.2	Q61 L62 K63 V68 L69 F76 D98 S101 S105	Q61-K65 VanDerWaalsContact O-CB 3.29Å; Q61-K65 WeakPolarHBondContact O-CB 3.31Å; Q61-K65 VanDerWaalsContact O-CG 3.29Å; Q61-K65 WeakPolarHBondContact O-CG 3.38Å; Q61-K65 PolarHBondContact O-N 3.28Å; Q61-K65 VanDerWaalsContact OE1-NZ 3.12Å; L62-K65 CarbonylContact O-C 3.49Å; L62-K65 PolarHBondContact O-N 3.08Å; K63-K65 VanDerWaalsContact C-N 3.27Å; K63-K65 PolarHBondContact O-N 2.85Å; K65-V68 CarbonylContact O-C 3.45Å; K65-L69 WeakPolarHBondContact O-CD1 3.44Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.19Å; K65-F76 HydrophobicContact CB-CD1 4.46Å; K65-F76 HydrophobicContact CB-CE1 3.87Å; K65-F76 HydrophobicContact CD-CE1 4.38Å; K65-F76 HydrophobicContact CG-CD1 3.81Å; K65-F76 HydrophobicContact CG-CE1 3.64Å; K65-F76 HydrophobicContact CG-CZ 4.38Å; K65-D98 PolarHBondContact NZ-O 3.23Å; K65-D98 IonicContact NZ-OD1 3.51Å; K65-D98 PolarHBondContact NZ-OD1 2.97Å; K65-S101 PolarHBondContact NZ-OG 2.99Å; K65-S105 VanDerWaalsContact C-CB 3.47Å; K65-S105 WeakPolarHBondContact CB-OG 3.38Å; K65-S105 WeakPolarHBondContact O-CB 3.45Å
66	F	86.8	Confident	80	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-82.5	-42.9	170.3	-178.8	-78.6	0	0	0	110.8	L62 K63 V68 L69 S70 L108 V109 M112 I122 F128	L62-F66 WeakPolarHBondContact O-CB 3.42Å; L62-F66 PolarHBondContact O-N 3.47Å; K63-F66 PolarHBondContact O-N 2.77Å; F66-V68 PolarHBondContact O-N 3.23Å; F66-L69 CarbonylContact O-C 3.58Å; F66-L69 WeakPolarHBondContact O-CA 3.43Å; F66-L69 PolarHBondContact O-N 2.61Å; F66-S70 WeakPolarHBondContact CE1-OG 3.31Å; F66-S70 PolarHBondContact O-N 2.87Å; F66-L108 HydrophobicContact CD2-CB 3.94Å; F66-L108 HydrophobicContact CD2-CD1 4.41Å; F66-L108 HydrophobicContact CE2-CB 4.06Å; F66-V109 HydrophobicContact CD2-CG2 3.39Å; F66-V109 HydrophobicContact CE1-CG2 4.36Å; F66-V109 HydrophobicContact CE2-CB 4.47Å; F66-V109 HydrophobicContact CE2-CG2 3.08Å; F66-V109 HydrophobicContact CG-CG2 4.14Å; F66-V109 HydrophobicContact CZ-CG2 3.62Å; F66-M112 HydrophobicContact CZ-CE 4.22Å; F66-M112 HydrophobicContact CZ-SD 3.85Å; F66-I122 HydrophobicContact CD2-CG2 4.37Å; F66-I122 HydrophobicContact CE1-CG2 4.04Å; F66-I122 HydrophobicContact CE2-CD1 3.56Å; F66-I122 HydrophobicContact CE2-CG2 3.78Å; F66-I122 HydrophobicContact CZ-CB 4.42Å; F66-I122 HydrophobicContact CZ-CD1 3.75Å; F66-I122 HydrophobicContact CZ-CG2 3.62Å; F66-F128 HydrophobicContact CB-CE1 3.63Å; F66-F128 HydrophobicContact CB-CZ 3.78Å; F66-F128 HydrophobicContact CD1-CE1 4.49Å; F66-F128 AromaticContact CD1-CZ 3.8Å; F66-F128 HydrophobicContact CD1-CZ 3.8Å; F66-F128 HydrophobicContact CD2-CE1 4.1Å; F66-F128 AromaticContact CD2-CZ 3.98Å; F66-F128 HydrophobicContact CD2-CZ 3.98Å; F66-F128 HydrophobicContact CE1-CZ 4.4Å; F66-F128 AromaticContact CG-CE1 3.84Å; F66-F128 HydrophobicContact CG-CE1 3.84Å; F66-F128 AromaticContact CG-CZ 3.58Å; F66-F128 HydrophobicContact CG-CZ 3.58Å
67	N	82.6	Confident	78.3	Confident	79 Å²	79	47.7 Å²	47.7	42%	0.422	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	27.4	162.1	-61.4	37.7	0	0	0	112.1	K63 Q64	K63-N67 WeakPolarHBondContact O-CA 3.21Å; K63-N67 VanDerWaalsContact O-CB 3.23Å; K63-N67 WeakPolarHBondContact O-CB 3.4Å; K63-N67 PolarHBondContact O-N 2.72Å; K63-N67 PolarHBondContact O-OD1 2.79Å; Q64-N67 CarbonylContact O-C 3.58Å
68	V	80.6	Confident	76.8	Confident	27 Å²	27	55.7 Å²	55.7	16%	0.164	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.5	15.5	148.6	-179.5	0	0	0	0	109.3	Q64 K65 F66 F76 E2012	Q64-V68 VanDerWaalsContact O-CB 3.27Å; Q64-V68 WeakPolarHBondContact O-CB 3.46Å; Q64-V68 WeakPolarHBondContact O-CG2 3Å; Q64-V68 PolarHBondContact O-N 3.14Å; K65-V68 CarbonylContact O-C 3.45Å; F66-V68 PolarHBondContact O-N 3.23Å; V68-F76 HydrophobicContact CB-CD1 3.64Å; V68-F76 HydrophobicContact CB-CE1 3.79Å; V68-F76 HydrophobicContact CG1-CD1 3.42Å; V68-F76 VanDerWaalsContact CG1-CD1 3.42Å; V68-F76 HydrophobicContact CG1-CE1 3.72Å; V68-F76 HydrophobicContact CG1-CG 4.21Å; V68-F76 HydrophobicContact CG2-CD1 4.45Å; V68-E2012 VanDerWaalsContact CA-OE2 3.28Å; V68-E2012 WeakPolarHBondContact CA-OE2 3.47Å; V68-E2012 PolarHBondContact N-OE2 3Å
69	L	82.2	Confident	75.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-148	63.8	159.2	32.7	77.4	0	0	0	120.5	K65 F66 F76 S105 R106 V109 E2012 T2013 A2014	K65-L69 WeakPolarHBondContact O-CD1 3.44Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.19Å; F66-L69 CarbonylContact O-C 3.58Å; F66-L69 WeakPolarHBondContact O-CA 3.43Å; F66-L69 PolarHBondContact O-N 2.61Å; L69-F76 HydrophobicContact CD2-CE1 4.4Å; L69-F76 HydrophobicContact CD2-CZ 3.72Å; L69-F76 HydrophobicContact CG-CE1 4.27Å; L69-F76 HydrophobicContact CG-CZ 4.08Å; L69-S105 VanDerWaalsContact CD1-O 3.31Å; L69-S105 WeakPolarHBondContact CD1-O 3.18Å; L69-R106 HydrophobicContact CD1-CB 4.28Å; L69-R106 VanDerWaalsContact CD1-N 3.34Å; L69-R106 HydrophobicContact CD2-CB 4.33Å; L69-V109 VanDerWaalsContact O-CB 3.23Å; L69-V109 WeakPolarHBondContact O-CB 3.46Å; L69-V109 WeakPolarHBondContact O-CG1 3.4Å; L69-V109 WeakPolarHBondContact O-CG2 2.91Å; L69-E2012 VanDerWaalsContact C-C 3.46Å; L69-E2012 VanDerWaalsContact CA-O 3.24Å; L69-E2012 WeakPolarHBondContact CA-O 3.04Å; L69-T2013 HydrophobicContact CB-CG2 4.11Å; L69-T2013 WeakPolarHBondContact O-CB 3.44Å; L69-T2013 PolarHBondContact O-OG1 2.97Å; L69-A2014 HydrophobicContact CB-CB 4.44Å; L69-A2014 HydrophobicContact CD2-CB 3.9Å
70	S	75.5	Confident	74.3	Confident	9 Å²	9	62 Å²	62	6%	0.063	34%	0.339	C	S	.	.	S	Bend	trans	-108.4	-46.7	163.3	-77.2	0	0	0	0	124	F66 M112 R113 G2011 E2012 T2013	F66-S70 WeakPolarHBondContact CE1-OG 3.31Å; F66-S70 PolarHBondContact O-N 2.87Å; S70-M112 WeakPolarHBondContact OG-CE 3.43Å; S70-R113 PolarHBondContact O-NH2 3.06Å; S70-G2011 CarbonylContact C-O 3.53Å; S70-G2011 VanDerWaalsContact CA-C 3.41Å; S70-G2011 WeakPolarHBondContact CA-O 3.17Å; S70-G2011 WeakPolarHBondContact CB-O 3.4Å; S70-G2011 VanDerWaalsContact N-C 3.3Å; S70-E2012 VanDerWaalsContact N-CA 3.31Å; S70-T2013 VanDerWaalsContact CA-N 3.29Å; S70-T2013 WeakPolarHBondContact CA-OG1 3.33Å; S70-T2013 PolarHBondContact N-OG1 3.14Å; S70-T2013 PolarHBondContact O-OG1 3.15Å
71	Q	74.2	Confident	73.7	Confident	74 Å²	74	63.3 Å²	63.3	35%	0.346	35%	0.353	S	S	.	.	S	Bend	trans	-86.4	-74.9	165	55	81	-3.8	0	0	116.5	R113 E2010 G2011 E2012 T2013	Q71-R113 PolarHBondContact O-NH2 3.4Å; Q71-E2010 HydrophobicContact CG-CG 4.43Å; Q71-E2010 PolarHBondContact NE2-OE1 3.02Å; Q71-E2010 VanDerWaalsContact NE2-OE1 3.1Å; Q71-E2010 PolarHBondContact NE2-OE2 2.66Å; Q71-G2011 WeakPolarHBondContact CG-O 3.23Å; Q71-G2011 VanDerWaalsContact N-C 3.33Å; Q71-G2011 PolarHBondContact N-O 2.89Å; Q71-E2012 VanDerWaalsContact C-C 3.49Å; Q71-E2012 HydrophobicContact CG-CB 4Å; Q71-E2012 HydrophobicContact CG-CG 4.3Å; Q71-T2013 PolarHBondContact O-N 3.36Å
72	G	61.7	Low	73.4	Confident	40 Å²	40	63.5 Å²	63.5	41%	0.412	35%	0.353	S	S	.	.	S	Bend	trans	-151.7	-13.3	-176.4	0	0	0	0	0	122.7	E2012 T2013	G72-E2012 CarbonylContact C-O 3.35Å; G72-E2012 VanDerWaalsContact N-CA 3.34Å; G72-T2013 VanDerWaalsContact CA-C 3.49Å; G72-T2013 VanDerWaalsContact CA-O 3.31Å; G72-T2013 WeakPolarHBondContact CA-O 3.5Å
73	S	71.6	Confident	73.1	Confident	36 Å²	36	65.1 Å²	65.1	25%	0.252	37%	0.365	S	S	.	.			trans	-62.9	140.6	-179.2	-164.5	0	0	0	0	115	N75 E2012 A2014	S73-N75 PolarHBondContact OG-N 2.7Å; S73-N75 VanDerWaalsContact OG-N 3.16Å; S73-E2012 CarbonylContact C-O 3.58Å; S73-E2012 WeakPolarHBondContact CA-O 3.44Å; S73-E2012 VanDerWaalsContact CB-CB 3.42Å; S73-E2012 WeakPolarHBondContact CB-OE1 3.26Å; S73-E2012 VanDerWaalsContact N-C 3.29Å; S73-E2012 PolarHBondContact N-O 3.08Å; S73-A2014 VanDerWaalsContact O-CB 3.31Å; S73-A2014 WeakPolarHBondContact O-CB 3.4Å; S73-A2014 PolarHBondContact O-N 3.07Å
74	T	70.6	Confident	72.7	Confident	80 Å²	80	63.6 Å²	63.6	49%	0.491	37%	0.371	S	S	.	.			trans	-105.3	-4.2	167.4	54.9	0	0	0	0	113.3	A2014	T74-A2014 HydrophobicContact CG2-CB 3.38Å
75	N	64.8	Low	72.5	Confident	121 Å²	121	60.2 Å²	60.2	65%	0.647	36%	0.36	S	S	*	.			trans	-106	92.7	-162.2	-74.2	-7	0	0	0	111.6	S73 A77	S73-N75 PolarHBondContact OG-N 2.7Å; S73-N75 VanDerWaalsContact OG-N 3.16Å; N75-A77 PolarHBondContact O-N 2.77Å
76	F	63.2	Low	72.2	Confident	62 Å²	62	60 Å²	60	27%	0.272	36%	0.359	S	S	.	.			trans	-65.6	91.5	167.7	-52.9	-70.1	0	0	0	110.6	K65 V68 L69 Y78 T79 S102	K65-F76 HydrophobicContact CB-CD1 4.46Å; K65-F76 HydrophobicContact CB-CE1 3.87Å; K65-F76 HydrophobicContact CD-CE1 4.38Å; K65-F76 HydrophobicContact CG-CD1 3.81Å; K65-F76 HydrophobicContact CG-CE1 3.64Å; K65-F76 HydrophobicContact CG-CZ 4.38Å; V68-F76 HydrophobicContact CB-CD1 3.64Å; V68-F76 HydrophobicContact CB-CE1 3.79Å; V68-F76 HydrophobicContact CG1-CD1 3.42Å; V68-F76 VanDerWaalsContact CG1-CD1 3.42Å; V68-F76 HydrophobicContact CG1-CE1 3.72Å; V68-F76 HydrophobicContact CG1-CG 4.21Å; V68-F76 HydrophobicContact CG2-CD1 4.45Å; L69-F76 HydrophobicContact CD2-CE1 4.4Å; L69-F76 HydrophobicContact CD2-CZ 3.72Å; L69-F76 HydrophobicContact CG-CE1 4.27Å; L69-F76 HydrophobicContact CG-CZ 4.08Å; F76-Y78 PolarHBondContact O-N 3.46Å; F76-T79 HydrophobicContact CB-CG2 4.38Å; F76-S102 WeakPolarHBondContact CE2-OG 3.28Å
77	A	47.9	Very low	72	Confident	90 Å²	90	62.2 Å²	62.2	74%	0.744	37%	0.37	S	S	*	.			trans	-73.6	109.3	176.1	0	0	0	0	0	110.3	N75	N75-A77 PolarHBondContact O-N 2.77Å
78	Y	53.3	Low	71.9	Confident	224 Å²	224	65 Å²	65	88%	0.878	39%	0.385	S	S	*	.			trans	58.7	88.5	-176.4	-82.1	-88.3	0	0	0	115.3	F76	F76-Y78 PolarHBondContact O-N 3.46Å
79	T	57.2	Low	71.8	Confident	65 Å²	65	65.3 Å²	65.3	40%	0.399	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-68.2	131.1	157.9	44.9	0	0	0	0	110.4	F76	F76-T79 HydrophobicContact CB-CG2 4.38Å
80	S	66.9	Low	71.5	Confident	75 Å²	75	65.7 Å²	65.7	52%	0.524	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-73.7	140.4	170.4	-66	0	0	0	0	110.1	Q61 W82	Q61-S80 PolarHBondContact NE2-O 2.74Å; S80-W82 PolarHBondContact O-N 3.36Å
81	P	72.9	Confident	71.6	Confident	116 Å²	116	68.6 Å²	68.6	75%	0.753	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-67.7	129.4	177.8	28.5	-34	0	0	0	110.6
82	W	81.3	Confident	71.9	Confident	13 Å²	13	67.3 Å²	67.3	5%	0.049	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-58.2	139.5	178.3	-60.9	92.9	0	0	0	112.7	E57 L58 Q61 S80 I86 L87 T94 L97 D98	E57-W82 WeakPolarHBondContact OE1-CA 3.4Å; L58-W82 HydrophobicContact CB-CZ3 3.98Å; L58-W82 HydrophobicContact CD1-CH2 4.03Å; L58-W82 HydrophobicContact CD1-CZ3 3.74Å; L58-W82 HydrophobicContact CG-CH2 4.01Å; L58-W82 HydrophobicContact CG-CZ3 3.83Å; Q61-W82 HydrophobicContact CB-CH2 3.5Å; Q61-W82 HydrophobicContact CB-CZ2 4.14Å; Q61-W82 HydrophobicContact CB-CZ3 3.99Å; Q61-W82 HydrophobicContact CG-CE3 4.35Å; Q61-W82 HydrophobicContact CG-CH2 3.49Å; Q61-W82 VanDerWaalsContact CG-CH2 3.49Å; Q61-W82 HydrophobicContact CG-CZ2 3.78Å; Q61-W82 HydrophobicContact CG-CZ3 3.79Å; S80-W82 PolarHBondContact O-N 3.36Å; W82-I86 HydrophobicContact CE3-CD1 3.81Å; W82-I86 HydrophobicContact CE3-CG2 3.88Å; W82-I86 HydrophobicContact CZ3-CD1 4.13Å; W82-I86 HydrophobicContact CZ3-CG2 4.3Å; W82-L87 HydrophobicContact CB-CD2 4.49Å; W82-T94 HydrophobicContact CB-CG2 4.34Å; W82-L97 HydrophobicContact CB-CD1 4.3Å; W82-L97 HydrophobicContact CD2-CB 4.06Å; W82-L97 HydrophobicContact CD2-CD1 3.99Å; W82-L97 HydrophobicContact CE3-CD1 4.37Å; W82-L97 HydrophobicContact CG-CB 4.37Å; W82-L97 HydrophobicContact CG-CD1 3.97Å; W82-L97 HydrophobicContact CZ2-CB 3.87Å; W82-D98 PolarHBondContact NE1-OD1 3.46Å
83	S	82	Confident	72.8	Confident	34 Å²	34	68.1 Å²	68.1	24%	0.238	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-63.9	154	172.2	61.8	0	0	0	0	113.1	E57 S85 I86 L87	E57-S83 PolarHBondContact OE1-N 3.46Å; E57-S83 PolarHBondContact OE1-OG 2.86Å; E57-S83 WeakPolarHBondContact OE2-CB 3.49Å; E57-S83 PolarHBondContact OE2-OG 3.24Å; S83-S85 VanDerWaalsContact C-N 3.31Å; S83-S85 PolarHBondContact O-N 2.92Å; S83-I86 PolarHBondContact O-N 3.29Å; S83-L87 PolarHBondContact O-N 3.26Å
84	A	79.7	Confident	73.2	Confident	68 Å²	68	69.4 Å²	69.4	56%	0.562	42%	0.419	S	S	*	.	H	α-helix	trans	-61.6	-37.2	-178.9	0	0	0	0	0	112.7	I86 L87 D88	A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 3.48Å; A84-L87 WeakPolarHBondContact O-CB 3.46Å; A84-L87 PolarHBondContact O-N 3.05Å; A84-L87 VanDerWaalsContact O-N 3.16Å; A84-D88 PolarHBondContact O-N 2.97Å
85	S	81	Confident	73.7	Confident	43 Å²	43	71.3 Å²	71.3	30%	0.301	43%	0.425	S	S	.	.	H	α-helix	trans	-67.4	-30.9	179.3	46.7	0	0	0	0	113.1	E54 S83 L89	E54-S85 WeakPolarHBondContact CG-OG 3.39Å; E54-S85 WeakPolarHBondContact OE1-CB 3.38Å; E54-S85 PolarHBondContact OE1-OG 3.03Å; S83-S85 VanDerWaalsContact C-N 3.31Å; S83-S85 PolarHBondContact O-N 2.92Å; S85-L89 VanDerWaalsContact O-CB 3.23Å; S85-L89 WeakPolarHBondContact O-CB 3.41Å; S85-L89 WeakPolarHBondContact O-CD1 3.41Å; S85-L89 WeakPolarHBondContact O-CG 2.97Å; S85-L89 PolarHBondContact O-N 2.78Å
86	I	81	Confident	74.5	Confident	0 Å²	0	70 Å²	70	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-69	-39.1	171.1	-65.5	175.1	0	0	0	111.3	E54 E57 L58 W82 S83 A84 S90 L97 L136	E54-I86 HydrophobicContact CB-CD1 4.32Å; E54-I86 HydrophobicContact CB-CG1 3.68Å; E54-I86 HydrophobicContact CG-CG1 3.78Å; E57-I86 HydrophobicContact CB-CD1 3.88Å; E57-I86 HydrophobicContact CG-CD1 3.77Å; E57-I86 WeakPolarHBondContact OE2-CD1 3.34Å; L58-I86 HydrophobicContact CB-CD1 4.4Å; L58-I86 HydrophobicContact CD1-CG2 4.23Å; W82-I86 HydrophobicContact CE3-CD1 3.81Å; W82-I86 HydrophobicContact CE3-CG2 3.88Å; W82-I86 HydrophobicContact CZ3-CD1 4.13Å; W82-I86 HydrophobicContact CZ3-CG2 4.3Å; S83-I86 PolarHBondContact O-N 3.29Å; A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 3.48Å; I86-S90 VanDerWaalsContact O-CB 3.24Å; I86-S90 WeakPolarHBondContact O-CB 3.42Å; I86-S90 PolarHBondContact O-N 3.48Å; I86-S90 PolarHBondContact O-OG 3.15Å; I86-L97 HydrophobicContact CG2-CD1 3.66Å; I86-L97 HydrophobicContact CG2-CD2 4.14Å; I86-L136 HydrophobicContact CG2-CD2 4.29Å
87	L	82.6	Confident	75.4	Confident	50 Å²	50	67.2 Å²	67.2	26%	0.262	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-43.8	176.3	-63.8	169.1	0	0	0	110.8	W82 S83 A84 G91 K92 T94 L97	W82-L87 HydrophobicContact CB-CD2 4.49Å; S83-L87 PolarHBondContact O-N 3.26Å; A84-L87 WeakPolarHBondContact O-CB 3.46Å; A84-L87 PolarHBondContact O-N 3.05Å; A84-L87 VanDerWaalsContact O-N 3.16Å; L87-G91 PolarHBondContact O-N 2.85Å; L87-G91 VanDerWaalsContact O-N 3.08Å; L87-K92 VanDerWaalsContact CD2-O 3.23Å; L87-K92 WeakPolarHBondContact CD2-O 3.36Å; L87-T94 HydrophobicContact CD1-CG2 4.11Å; L87-T94 HydrophobicContact CD2-CG2 3.77Å; L87-L97 HydrophobicContact CD2-CD1 3.65Å; L87-L97 HydrophobicContact CG-CD1 4.48Å
88	D	79.7	Confident	77.1	Confident	138 Å²	138	64.6 Å²	64.6	74%	0.738	38%	0.377	S	S	*	.	H	α-helix	trans	-69.2	-42.1	177.5	-69.2	-23.8	0	0	0	112.6	A84	A84-D88 PolarHBondContact O-N 2.97Å
89	L	79.2	Confident	78.5	Confident	34 Å²	34	60.2 Å²	60.2	18%	0.178	36%	0.364	C	S	.	.	H	α-helix	trans	-70.6	-31.1	179.5	-77.6	166.6	0	0	0	114.1	H51 E54 S85 S140	H51-L89 HydrophobicContact CB-CD1 4.25Å; H51-L89 WeakPolarHBondContact ND1-CD1 3.26Å; E54-L89 HydrophobicContact CB-CD1 4.15Å; E54-L89 HydrophobicContact CG-CD1 3.86Å; S85-L89 VanDerWaalsContact O-CB 3.23Å; S85-L89 WeakPolarHBondContact O-CB 3.41Å; S85-L89 WeakPolarHBondContact O-CD1 3.41Å; S85-L89 WeakPolarHBondContact O-CG 2.97Å; S85-L89 PolarHBondContact O-N 2.78Å; L89-S140 WeakPolarHBondContact O-CA 3.14Å; L89-S140 PolarHBondContact O-N 3.27Å
90	S	75.6	Confident	79.7	Confident	8 Å²	8	57.9 Å²	57.9	6%	0.056	35%	0.35	C	S	.	.	H	α-helix	trans	-95.5	-16.2	-177.4	67	0	0	0	0	114	I86 K92	I86-S90 VanDerWaalsContact O-CB 3.24Å; I86-S90 WeakPolarHBondContact O-CB 3.42Å; I86-S90 PolarHBondContact O-N 3.48Å; I86-S90 PolarHBondContact O-OG 3.15Å; S90-K92 PolarHBondContact O-N 3.07Å; S90-K92 VanDerWaalsContact O-N 3.11Å; S90-K92 PolarHBondContact OG-N 2.82Å
91	G	76.5	Confident	80.6	Confident	70 Å²	70	54.4 Å²	54.4	72%	0.722	33%	0.325	S	S	*	.			trans	60.9	12.7	-171.7	0	0	0	0	0	114.5	L87	L87-G91 PolarHBondContact O-N 2.85Å; L87-G91 VanDerWaalsContact O-N 3.08Å
92	K	80.4	Confident	81.2	Confident	47 Å²	47	49.6 Å²	49.6	20%	0.204	29%	0.294	C	S	.	.			trans	-110.4	144.2	-172.6	-77.9	177.9	-178.3	-179.5	0	111.3	L87 S90 Q96 L97 L100	L87-K92 VanDerWaalsContact CD2-O 3.23Å; L87-K92 WeakPolarHBondContact CD2-O 3.36Å; S90-K92 PolarHBondContact O-N 3.07Å; S90-K92 VanDerWaalsContact O-N 3.11Å; S90-K92 PolarHBondContact OG-N 2.82Å; K92-Q96 HydrophobicContact CB-CB 3.91Å; K92-Q96 HydrophobicContact CD-CB 4.43Å; K92-Q96 HydrophobicContact CG-CB 4.22Å; K92-L97 HydrophobicContact CB-CD2 4.36Å; K92-L97 HydrophobicContact CB-CG 4.08Å; K92-L100 HydrophobicContact CD-CD1 4.38Å
93	S	81.6	Confident	81.5	Confident	56 Å²	56	54.8 Å²	54.8	39%	0.392	32%	0.319	S	S	.	.			trans	-67.8	159.2	173.7	69.4	0	0	0	0	111.4	L95 Q96 L97	S93-L95 PolarHBondContact O-N 3.12Å; S93-L95 VanDerWaalsContact O-N 3.17Å; S93-Q96 WeakPolarHBondContact O-CA 3.44Å; S93-Q96 WeakPolarHBondContact O-CB 3.46Å; S93-Q96 PolarHBondContact O-N 3.35Å; S93-Q96 WeakPolarHBondContact OG-CG 2.97Å; S93-Q96 PolarHBondContact OG-N 3.13Å; S93-Q96 PolarHBondContact OG-OE1 2.69Å; S93-L97 PolarHBondContact O-N 3.34Å
94	T	80.7	Confident	81.6	Confident	64 Å²	64	54.3 Å²	54.3	39%	0.393	31%	0.314	S	S	.	.	H	α-helix	trans	-48.7	-43.3	174.5	47.6	0	0	0	0	112.3	W82 L87 Q96 L97 D98	W82-T94 HydrophobicContact CB-CG2 4.34Å; L87-T94 HydrophobicContact CD1-CG2 4.11Å; L87-T94 HydrophobicContact CD2-CG2 3.77Å; T94-Q96 PolarHBondContact O-N 3.03Å; T94-L97 PolarHBondContact O-N 2.79Å; T94-D98 WeakPolarHBondContact O-CB 3.49Å; T94-D98 PolarHBondContact O-N 2.86Å
95	L	79.5	Confident	81.9	Confident	119 Å²	119	51.1 Å²	51.1	62%	0.623	29%	0.287	S	S	*	.	H	α-helix	trans	-63.6	-37.8	176	-102.2	165.6	0	0	0	113.5	S93 Q99	S93-L95 PolarHBondContact O-N 3.12Å; S93-L95 VanDerWaalsContact O-N 3.17Å; L95-Q99 WeakPolarHBondContact O-CB 3.16Å; L95-Q99 VanDerWaalsContact O-CG 3.3Å; L95-Q99 WeakPolarHBondContact O-CG 3.12Å; L95-Q99 PolarHBondContact O-N 3.11Å
96	Q	81.5	Confident	82.1	Confident	95 Å²	95	53.1 Å²	53.1	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-73.7	-37.8	177	-74.4	170.1	-30.2	0	0	111.8	K92 S93 T94 L100	K92-Q96 HydrophobicContact CB-CB 3.91Å; K92-Q96 HydrophobicContact CD-CB 4.43Å; K92-Q96 HydrophobicContact CG-CB 4.22Å; S93-Q96 WeakPolarHBondContact O-CA 3.44Å; S93-Q96 WeakPolarHBondContact O-CB 3.46Å; S93-Q96 PolarHBondContact O-N 3.35Å; S93-Q96 WeakPolarHBondContact OG-CG 2.97Å; S93-Q96 PolarHBondContact OG-N 3.13Å; S93-Q96 PolarHBondContact OG-OE1 2.69Å; T94-Q96 PolarHBondContact O-N 3.03Å; Q96-L100 WeakPolarHBondContact O-CB 3.46Å; Q96-L100 PolarHBondContact O-N 2.84Å
97	L	83.6	Confident	82.4	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-40.3	171.7	-74.7	168.9	0	0	0	111.9	L58 W82 I86 L87 K92 S93 T94 L100 S101	L58-L97 HydrophobicContact CD1-CD2 4.43Å; W82-L97 HydrophobicContact CB-CD1 4.3Å; W82-L97 HydrophobicContact CD2-CB 4.06Å; W82-L97 HydrophobicContact CD2-CD1 3.99Å; W82-L97 HydrophobicContact CE3-CD1 4.37Å; W82-L97 HydrophobicContact CG-CB 4.37Å; W82-L97 HydrophobicContact CG-CD1 3.97Å; W82-L97 HydrophobicContact CZ2-CB 3.87Å; I86-L97 HydrophobicContact CG2-CD1 3.66Å; I86-L97 HydrophobicContact CG2-CD2 4.14Å; L87-L97 HydrophobicContact CD2-CD1 3.65Å; L87-L97 HydrophobicContact CG-CD1 4.48Å; K92-L97 HydrophobicContact CB-CD2 4.36Å; K92-L97 HydrophobicContact CB-CG 4.08Å; S93-L97 PolarHBondContact O-N 3.34Å; T94-L97 PolarHBondContact O-N 2.79Å; L97-L100 PolarHBondContact O-N 3.1Å; L97-S101 WeakPolarHBondContact O-CB 3.37Å; L97-S101 PolarHBondContact O-N 3.45Å; L97-S101 PolarHBondContact O-OG 3.32Å
98	D	82	Confident	82.5	Confident	34 Å²	34	55.5 Å²	55.5	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-43.5	176	-90.9	-41.7	0	0	0	112.1	K65 W82 T94 S101 S102	K65-D98 PolarHBondContact NZ-O 3.23Å; K65-D98 IonicContact NZ-OD1 3.51Å; K65-D98 PolarHBondContact NZ-OD1 2.97Å; W82-D98 PolarHBondContact NE1-OD1 3.46Å; T94-D98 WeakPolarHBondContact O-CB 3.49Å; T94-D98 PolarHBondContact O-N 2.86Å; D98-S101 PolarHBondContact O-OG 3.28Å; D98-S102 WeakPolarHBondContact O-CB 3.48Å; D98-S102 PolarHBondContact O-N 2.67Å; D98-S102 PolarHBondContact O-OG 2.7Å
99	Q	82.8	Confident	82.7	Confident	132 Å²	132	49 Å²	49	62%	0.617	26%	0.263	S	S	*	.	H	α-helix	trans	-59.7	-47.1	171.7	-78.4	176.9	-15.1	0	0	111.4	L95 S102 E103	L95-Q99 WeakPolarHBondContact O-CB 3.16Å; L95-Q99 VanDerWaalsContact O-CG 3.3Å; L95-Q99 WeakPolarHBondContact O-CG 3.12Å; L95-Q99 PolarHBondContact O-N 3.11Å; Q99-S102 PolarHBondContact O-N 2.93Å; Q99-E103 VanDerWaalsContact O-CB 3.24Å; Q99-E103 WeakPolarHBondContact O-CB 3.23Å; Q99-E103 PolarHBondContact O-N 2.62Å
100	L	83.8	Confident	82.9	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-43.3	-175.2	-172.7	130.8	0	0	0	112.9	K92 Q96 L97 E103 I104 Y139	K92-L100 HydrophobicContact CD-CD1 4.38Å; Q96-L100 WeakPolarHBondContact O-CB 3.46Å; Q96-L100 PolarHBondContact O-N 2.84Å; L97-L100 PolarHBondContact O-N 3.1Å; L100-E103 PolarHBondContact O-N 3.36Å; L100-I104 HydrophobicContact CD2-CD1 3.46Å; L100-I104 VanDerWaalsContact CD2-CD1 3.46Å; L100-I104 HydrophobicContact CG-CD1 3.74Å; L100-I104 WeakPolarHBondContact O-CB 3.2Å; L100-I104 WeakPolarHBondContact O-CD1 3.42Å; L100-I104 VanDerWaalsContact O-CG1 3.28Å; L100-I104 WeakPolarHBondContact O-CG1 3.22Å; L100-I104 PolarHBondContact O-N 3.31Å; L100-Y139 HydrophobicContact CD1-CD2 4.45Å; L100-Y139 HydrophobicContact CD1-CE2 3.51Å; L100-Y139 HydrophobicContact CD2-CE2 4Å; L100-Y139 HydrophobicContact CG-CE2 4.4Å
101	S	85.9	Confident	83.1	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-37.1	174.1	50.8	0	0	0	0	112.1	K65 L97 D98 S105	K65-S101 PolarHBondContact NZ-OG 2.99Å; L97-S101 WeakPolarHBondContact O-CB 3.37Å; L97-S101 PolarHBondContact O-N 3.45Å; L97-S101 PolarHBondContact O-OG 3.32Å; D98-S101 PolarHBondContact O-OG 3.28Å; S101-S105 WeakPolarHBondContact O-CB 3.39Å; S101-S105 PolarHBondContact O-N 3.42Å; S101-S105 PolarHBondContact O-OG 3.11Å
102	S	84.5	Confident	83.2	Confident	15 Å²	15	49.2 Å²	49.2	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-32.1	171.6	-71.4	0	0	0	0	113.4	F76 D98 Q99 R106	F76-S102 WeakPolarHBondContact CE2-OG 3.28Å; D98-S102 WeakPolarHBondContact O-CB 3.48Å; D98-S102 PolarHBondContact O-N 2.67Å; D98-S102 PolarHBondContact O-OG 2.7Å; Q99-S102 PolarHBondContact O-N 2.93Å; S102-R106 WeakPolarHBondContact O-CB 3.31Å; S102-R106 PolarHBondContact O-N 3.32Å
103	E	86.9	Confident	83	Confident	121 Å²	121	51.3 Å²	51.3	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-72.6	-39.7	176.4	-174.3	160.8	-112.6	0	0	111.2	Q99 L100 R106 Q107	Q99-E103 VanDerWaalsContact O-CB 3.24Å; Q99-E103 WeakPolarHBondContact O-CB 3.23Å; Q99-E103 PolarHBondContact O-N 2.62Å; L100-E103 PolarHBondContact O-N 3.36Å; E103-R106 CarbonylContact O-C 3.59Å; E103-R106 PolarHBondContact O-N 3.04Å; E103-Q107 WeakPolarHBondContact O-CB 3.48Å; E103-Q107 PolarHBondContact O-N 3.11Å
104	I	85.3	Confident	82.8	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.128	25%	0.254	C	S	.	.	H	α-helix	trans	-78	-39.2	179.9	-68.2	161.3	0	0	0	112.4	L62 L100 R106 Q107 L108 L135	L62-I104 HydrophobicContact CD2-CB 4.11Å; L62-I104 HydrophobicContact CD2-CG2 3.96Å; L100-I104 HydrophobicContact CD2-CD1 3.46Å; L100-I104 VanDerWaalsContact CD2-CD1 3.46Å; L100-I104 HydrophobicContact CG-CD1 3.74Å; L100-I104 WeakPolarHBondContact O-CB 3.2Å; L100-I104 WeakPolarHBondContact O-CD1 3.42Å; L100-I104 VanDerWaalsContact O-CG1 3.28Å; L100-I104 WeakPolarHBondContact O-CG1 3.22Å; L100-I104 PolarHBondContact O-N 3.31Å; I104-R106 PolarHBondContact O-N 3.03Å; I104-Q107 WeakPolarHBondContact O-CB 3.05Å; I104-Q107 PolarHBondContact O-N 3.35Å; I104-L108 HydrophobicContact CG2-CD1 4.24Å; I104-L108 HydrophobicContact CG2-CG 4.39Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 WeakPolarHBondContact O-CG 3.28Å; I104-L108 PolarHBondContact O-N 3.32Å; I104-L135 HydrophobicContact CD1-CD1 3.63Å; I104-L135 HydrophobicContact CD1-CD2 3.41Å; I104-L135 VanDerWaalsContact CD1-CD2 3.41Å; I104-L135 HydrophobicContact CD1-CG 4.12Å; I104-L135 HydrophobicContact CG2-CD1 4.08Å
105	S	85.6	Confident	81.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-30.7	170.9	-61.8	0	0	0	0	111	L62 K65 L69 S101 V109	L62-S105 PolarHBondContact O-OG 2.79Å; K65-S105 VanDerWaalsContact C-CB 3.47Å; K65-S105 WeakPolarHBondContact CB-OG 3.38Å; K65-S105 WeakPolarHBondContact O-CB 3.45Å; L69-S105 VanDerWaalsContact CD1-O 3.31Å; L69-S105 WeakPolarHBondContact CD1-O 3.18Å; S101-S105 WeakPolarHBondContact O-CB 3.39Å; S101-S105 PolarHBondContact O-N 3.42Å; S101-S105 PolarHBondContact O-OG 3.11Å; S105-V109 PolarHBondContact O-N 2.96Å
106	R	85.6	Confident	81.2	Confident	86 Å²	86	52 Å²	52	33%	0.325	26%	0.256	S	S	.	.	H	α-helix	trans	-71	-38.3	171.2	-171.5	-171.9	-60.3	129.8	4.9	112.5	L69 S102 E103 I104 Q110	L69-R106 HydrophobicContact CD1-CB 4.28Å; L69-R106 VanDerWaalsContact CD1-N 3.34Å; L69-R106 HydrophobicContact CD2-CB 4.33Å; S102-R106 WeakPolarHBondContact O-CB 3.31Å; S102-R106 PolarHBondContact O-N 3.32Å; E103-R106 CarbonylContact O-C 3.59Å; E103-R106 PolarHBondContact O-N 3.04Å; I104-R106 PolarHBondContact O-N 3.03Å; R106-Q110 VanDerWaalsContact O-CB 3.29Å; R106-Q110 WeakPolarHBondContact O-CB 3.4Å; R106-Q110 PolarHBondContact O-N 2.92Å
107	Q	86.6	Confident	80.7	Confident	96 Å²	96	48.9 Å²	48.9	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-52.4	171.1	-175.2	77	57.9	0	0	109.8	E103 I104 V109 Q110 D111	E103-Q107 WeakPolarHBondContact O-CB 3.48Å; E103-Q107 PolarHBondContact O-N 3.11Å; I104-Q107 WeakPolarHBondContact O-CB 3.05Å; I104-Q107 PolarHBondContact O-N 3.35Å; Q107-V109 PolarHBondContact O-N 2.82Å; Q107-V109 VanDerWaalsContact O-N 3.15Å; Q107-Q110 CarbonylContact O-C 3.58Å; Q107-Q110 WeakPolarHBondContact O-CB 3.15Å; Q107-Q110 PolarHBondContact O-N 2.67Å; Q107-Q110 VanDerWaalsContact O-N 3.14Å; Q107-D111 PolarHBondContact NE2-OD1 3.38Å; Q107-D111 VanDerWaalsContact O-CB 3.3Å; Q107-D111 WeakPolarHBondContact O-CB 3.09Å; Q107-D111 PolarHBondContact O-N 2.9Å
108	L	84.6	Confident	80	Confident	4 Å²	4	51 Å²	51	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-55.7	-34	-180	-76.6	171.3	0	0	0	113.5	F66 I104 M112 T117 F127 F128	F66-L108 HydrophobicContact CD2-CB 3.94Å; F66-L108 HydrophobicContact CD2-CD1 4.41Å; F66-L108 HydrophobicContact CE2-CB 4.06Å; I104-L108 HydrophobicContact CG2-CD1 4.24Å; I104-L108 HydrophobicContact CG2-CG 4.39Å; I104-L108 WeakPolarHBondContact O-CB 3.34Å; I104-L108 WeakPolarHBondContact O-CG 3.28Å; I104-L108 PolarHBondContact O-N 3.32Å; L108-M112 WeakPolarHBondContact O-CB 3.44Å; L108-M112 PolarHBondContact O-N 2.87Å; L108-T117 PolarHBondContact O-OG1 3.21Å; L108-F127 HydrophobicContact CD1-CE1 4.17Å; L108-F127 HydrophobicContact CD2-CE1 3.86Å; L108-F127 HydrophobicContact CD2-CZ 3.65Å; L108-F128 HydrophobicContact CD1-CE1 4.35Å
109	V	84.5	Confident	79	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-95.1	-22.4	177.2	-175.4	0	0	0	0	114.1	F66 L69 S105 Q107 D111 M112 R113 T2013	F66-V109 HydrophobicContact CD2-CG2 3.39Å; F66-V109 HydrophobicContact CE1-CG2 4.36Å; F66-V109 HydrophobicContact CE2-CB 4.47Å; F66-V109 HydrophobicContact CE2-CG2 3.08Å; F66-V109 HydrophobicContact CG-CG2 4.14Å; F66-V109 HydrophobicContact CZ-CG2 3.62Å; L69-V109 VanDerWaalsContact O-CB 3.23Å; L69-V109 WeakPolarHBondContact O-CB 3.46Å; L69-V109 WeakPolarHBondContact O-CG1 3.4Å; L69-V109 WeakPolarHBondContact O-CG2 2.91Å; S105-V109 PolarHBondContact O-N 2.96Å; Q107-V109 PolarHBondContact O-N 2.82Å; Q107-V109 VanDerWaalsContact O-N 3.15Å; V109-D111 VanDerWaalsContact C-N 3.3Å; V109-M112 HydrophobicContact CG1-CB 4.49Å; V109-M112 HydrophobicContact CG1-CE 4Å; V109-M112 HydrophobicContact CG2-CE 4.48Å; V109-M112 PolarHBondContact O-N 3.37Å; V109-R113 HydrophobicContact CG1-CG 4.03Å; V109-R113 VanDerWaalsContact O-CB 3.25Å; V109-R113 WeakPolarHBondContact O-CB 3.43Å; V109-R113 WeakPolarHBondContact O-CD 3.45Å; V109-R113 WeakPolarHBondContact O-CG 3.22Å; V109-R113 PolarHBondContact O-N 2.85Å; V109-T2013 HydrophobicContact CB-CG2 4.45Å; V109-T2013 HydrophobicContact CG1-CG2 4.11Å; V109-T2013 WeakPolarHBondContact CG1-OG1 3.17Å
110	Q	83.1	Confident	78	Confident	54 Å²	54	48.3 Å²	48.3	25%	0.252	24%	0.239	S	C	.	.	H	α-helix	trans	-57.5	-51.8	158.6	175.8	175.9	-26.4	0	0	109.4	R106 Q107 M112 R113 E114 R2015	R106-Q110 VanDerWaalsContact O-CB 3.29Å; R106-Q110 WeakPolarHBondContact O-CB 3.4Å; R106-Q110 PolarHBondContact O-N 2.92Å; Q107-Q110 CarbonylContact O-C 3.58Å; Q107-Q110 WeakPolarHBondContact O-CB 3.15Å; Q107-Q110 PolarHBondContact O-N 2.67Å; Q107-Q110 VanDerWaalsContact O-N 3.14Å; Q110-M112 VanDerWaalsContact C-N 3.3Å; Q110-M112 PolarHBondContact O-N 2.75Å; Q110-R113 PolarHBondContact O-N 2.79Å; Q110-R113 VanDerWaalsContact O-N 3.16Å; Q110-E114 HydrophobicContact CG-CG 4.29Å; Q110-E114 VanDerWaalsContact CG-OE1 3.24Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.18Å; Q110-E114 WeakPolarHBondContact CG-OE2 3.2Å; Q110-E114 PolarHBondContact NE2-OE1 3.49Å; Q110-E114 VanDerWaalsContact NE2-OE1 3.17Å; Q110-E114 PolarHBondContact NE2-OE2 3.09Å; Q110-E114 VanDerWaalsContact O-CB 3.3Å; Q110-E114 WeakPolarHBondContact O-CB 3.1Å; Q110-E114 WeakPolarHBondContact O-CG 3.08Å; Q110-E114 PolarHBondContact O-N 3.3Å; Q110-R2015 VanDerWaalsContact NE2-NH2 3.11Å
111	D	79.4	Confident	77.4	Confident	25 Å²	25	49.8 Å²	49.8	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-37.1	178.9	-63.6	-6	0	0	0	111	Q107 V109 G115 I116 T117	Q107-D111 PolarHBondContact NE2-OD1 3.38Å; Q107-D111 VanDerWaalsContact O-CB 3.3Å; Q107-D111 WeakPolarHBondContact O-CB 3.09Å; Q107-D111 PolarHBondContact O-N 2.9Å; V109-D111 VanDerWaalsContact C-N 3.3Å; D111-G115 CarbonylContact O-C 3.58Å; D111-G115 PolarHBondContact O-N 3.3Å; D111-I116 HydrophobicContact CB-CB 4.03Å; D111-I116 HydrophobicContact CB-CG2 4.43Å; D111-I116 WeakPolarHBondContact O-CA 2.9Å; D111-I116 PolarHBondContact O-N 3.11Å; D111-T117 HydrophobicContact CB-CG2 3.86Å; D111-T117 WeakPolarHBondContact CB-OG1 3.09Å; D111-T117 PolarHBondContact O-N 2.89Å; D111-T117 VanDerWaalsContact O-N 3.1Å
112	M	79.1	Confident	76.8	Confident	38 Å²	38	49.9 Å²	49.9	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-69.5	-39.6	173.2	-167.9	179.2	75.5	0	0	113.5	F66 S70 L108 V109 Q110 G115 T117 Y119 I122	F66-M112 HydrophobicContact CZ-CE 4.22Å; F66-M112 HydrophobicContact CZ-SD 3.85Å; S70-M112 WeakPolarHBondContact OG-CE 3.43Å; L108-M112 WeakPolarHBondContact O-CB 3.44Å; L108-M112 PolarHBondContact O-N 2.87Å; V109-M112 HydrophobicContact CG1-CB 4.49Å; V109-M112 HydrophobicContact CG1-CE 4Å; V109-M112 HydrophobicContact CG2-CE 4.48Å; V109-M112 PolarHBondContact O-N 3.37Å; Q110-M112 VanDerWaalsContact C-N 3.3Å; Q110-M112 PolarHBondContact O-N 2.75Å; M112-G115 PolarHBondContact O-N 3.25Å; M112-T117 WeakPolarHBondContact CA-O 3.16Å; M112-T117 PolarHBondContact N-OG1 2.85Å; M112-Y119 HydrophobicContact SD-CD2 3.63Å; M112-Y119 HydrophobicContact SD-CG 4.19Å; M112-I122 HydrophobicContact CB-CD1 4.25Å; M112-I122 HydrophobicContact CG-CD1 4.41Å; M112-I122 HydrophobicContact SD-CD1 4.17Å
113	R	76.7	Confident	75.8	Confident	91 Å²	91	50.9 Å²	50.9	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-73	-33.5	178.1	-74.1	170	171.3	-121.7	-9.7	112.8	S70 Q71 V109 Q110 G115 T2013	S70-R113 PolarHBondContact O-NH2 3.06Å; Q71-R113 PolarHBondContact O-NH2 3.4Å; V109-R113 HydrophobicContact CG1-CG 4.03Å; V109-R113 VanDerWaalsContact O-CB 3.25Å; V109-R113 WeakPolarHBondContact O-CB 3.43Å; V109-R113 WeakPolarHBondContact O-CD 3.45Å; V109-R113 WeakPolarHBondContact O-CG 3.22Å; V109-R113 PolarHBondContact O-N 2.85Å; Q110-R113 PolarHBondContact O-N 2.79Å; Q110-R113 VanDerWaalsContact O-N 3.16Å; R113-G115 VanDerWaalsContact C-N 3.29Å; R113-T2013 VanDerWaalsContact CZ-CB 3.49Å; R113-T2013 PolarHBondContact NE-OG1 2.91Å; R113-T2013 VanDerWaalsContact NH2-CB 3.28Å; R113-T2013 PolarHBondContact NH2-OG1 3.19Å; R113-T2013 VanDerWaalsContact NH2-OG1 3.13Å
114	E	78	Confident	74.7	Confident	95 Å²	95	46.6 Å²	46.6	44%	0.444	24%	0.238	S	C	.	.	H	α-helix	trans	-83.5	-9.1	176.5	-68.3	170	-168.6	0	0	111.3	Q110 I116 R2015	Q110-E114 HydrophobicContact CG-CG 4.29Å; Q110-E114 VanDerWaalsContact CG-OE1 3.24Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.18Å; Q110-E114 WeakPolarHBondContact CG-OE2 3.2Å; Q110-E114 PolarHBondContact NE2-OE1 3.49Å; Q110-E114 VanDerWaalsContact NE2-OE1 3.17Å; Q110-E114 PolarHBondContact NE2-OE2 3.09Å; Q110-E114 VanDerWaalsContact O-CB 3.3Å; Q110-E114 WeakPolarHBondContact O-CB 3.1Å; Q110-E114 WeakPolarHBondContact O-CG 3.08Å; Q110-E114 PolarHBondContact O-N 3.3Å; E114-I116 HydrophobicContact CB-CD1 4.07Å; E114-I116 HydrophobicContact CB-CG1 4.18Å; E114-R2015 IonicContact OE1-CZ 3.88Å; E114-R2015 IonicContact OE1-NH1 2.71Å; E114-R2015 PolarHBondContact OE1-NH1 3.36Å; E114-R2015 IonicContact OE1-NH2 2.78Å; E114-R2015 PolarHBondContact OE1-NH2 3.28Å
115	G	49.9	Very low	73.7	Confident	45 Å²	45	49.3 Å²	49.3	46%	0.464	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	24.9	175.9	0	0	0	0	0	114.3	D111 M112 R113	D111-G115 CarbonylContact O-C 3.58Å; D111-G115 PolarHBondContact O-N 3.3Å; M112-G115 PolarHBondContact O-N 3.25Å; R113-G115 VanDerWaalsContact C-N 3.29Å
116	I	75.5	Confident	73.2	Confident	115 Å²	115	52.3 Å²	52.3	59%	0.59	27%	0.273	S	S	*	.	S	Bend	trans	-85.5	-50.5	178	-56.8	172.7	0	0	0	110	D111 E114	D111-I116 HydrophobicContact CB-CB 4.03Å; D111-I116 HydrophobicContact CB-CG2 4.43Å; D111-I116 WeakPolarHBondContact O-CA 2.9Å; D111-I116 PolarHBondContact O-N 3.11Å; E114-I116 HydrophobicContact CB-CD1 4.07Å; E114-I116 HydrophobicContact CB-CG1 4.18Å
117	T	70.2	Confident	73.1	Confident	29 Å²	29	48.9 Å²	48.9	18%	0.178	26%	0.261	C	S	.	.	S	Bend	trans	-102.3	108.7	169.8	52.8	0	0	0	0	109.5	L108 D111 M112 Y119	L108-T117 PolarHBondContact O-OG1 3.21Å; D111-T117 HydrophobicContact CB-CG2 3.86Å; D111-T117 WeakPolarHBondContact CB-OG1 3.09Å; D111-T117 PolarHBondContact O-N 2.89Å; D111-T117 VanDerWaalsContact O-N 3.1Å; M112-T117 WeakPolarHBondContact CA-O 3.16Å; M112-T117 PolarHBondContact N-OG1 2.85Å; T117-Y119 PolarHBondContact O-N 3.17Å
118	N	69.1	Low	73	Confident	48 Å²	48	45 Å²	45	26%	0.257	24%	0.242	S	C	.	.			trans	-56.5	129.7	175.3	-106.9	33.8	0	0	0	110.6	H120 T121 I122 E1940	N118-H120 PolarHBondContact O-N 3.03Å; N118-H120 VanDerWaalsContact O-N 3.11Å; N118-T121 WeakPolarHBondContact CB-OG1 3.26Å; N118-T121 WeakPolarHBondContact O-CA 3.13Å; N118-T121 WeakPolarHBondContact O-CB 3.34Å; N118-T121 PolarHBondContact O-N 3.36Å; N118-T121 PolarHBondContact O-OG1 3.44Å; N118-I122 PolarHBondContact O-N 3.14Å; N118-E1940 VanDerWaalsContact C-CD 3.49Å; N118-E1940 VanDerWaalsContact C-OE1 3.27Å; N118-E1940 WeakPolarHBondContact CA-OE1 3.22Å; N118-E1940 VanDerWaalsContact CA-OE2 3.31Å; N118-E1940 WeakPolarHBondContact CA-OE2 3.44Å; N118-E1940 WeakPolarHBondContact CB-OE1 3.25Å; N118-E1940 WeakPolarHBondContact CB-OE2 3.21Å; N118-E1940 VanDerWaalsContact CG-CD 3.4Å; N118-E1940 VanDerWaalsContact CG-OE1 3.22Å; N118-E1940 PolarHBondContact ND2-OE2 2.86Å; N118-E1940 PolarHBondContact OD1-OE1 2.89Å
119	Y	61.7	Low	73	Confident	45 Å²	45	46.4 Å²	46.4	18%	0.176	25%	0.249	C	C	.	.	H	α-helix	trans	-49.2	-37.4	176.1	170.3	-97.3	0	0	0	113.1	M112 T117 T121 I122 A123 Q1939 E1940 L2009	M112-Y119 HydrophobicContact SD-CD2 3.63Å; M112-Y119 HydrophobicContact SD-CG 4.19Å; T117-Y119 PolarHBondContact O-N 3.17Å; Y119-T121 VanDerWaalsContact C-N 3.26Å; Y119-T121 PolarHBondContact O-N 2.82Å; Y119-I122 CarbonylContact O-C 3.55Å; Y119-I122 WeakPolarHBondContact O-CA 3.48Å; Y119-I122 WeakPolarHBondContact O-CB 3.41Å; Y119-I122 PolarHBondContact O-N 3.49Å; Y119-A123 HydrophobicContact CD1-CB 4.22Å; Y119-A123 HydrophobicContact CE1-CB 3.66Å; Y119-A123 HydrophobicContact CE2-CB 4.5Å; Y119-A123 PolarHBondContact O-N 2.77Å; Y119-Q1939 HydrophobicContact CD1-CB 3.74Å; Y119-Q1939 HydrophobicContact CD1-CG 4.09Å; Y119-Q1939 HydrophobicContact CE1-CB 3.95Å; Y119-Q1939 HydrophobicContact CE1-CG 3.76Å; Y119-E1940 PolarHBondContact N-OE1 3.48Å; Y119-E1940 PolarHBondContact N-OE2 3.38Å; Y119-L2009 HydrophobicContact CD1-CD1 4.36Å; Y119-L2009 HydrophobicContact CD2-CD1 3.8Å; Y119-L2009 HydrophobicContact CD2-CD2 4.34Å; Y119-L2009 HydrophobicContact CE1-CD1 4.14Å; Y119-L2009 HydrophobicContact CE2-CD1 3.58Å; Y119-L2009 HydrophobicContact CE2-CD2 3.5Å; Y119-L2009 VanDerWaalsContact CE2-CD2 3.5Å; Y119-L2009 HydrophobicContact CE2-CG 4.18Å; Y119-L2009 HydrophobicContact CG-CD1 4.18Å
120	H	62.6	Low	72.7	Confident	63 Å²	63	47.7 Å²	47.7	29%	0.292	26%	0.259	S	S	.	.	H	α-helix	trans	-76.4	-14.3	-179.9	-154.7	75	0	0	0	114	N118 I122 A123 F1937 G1938 Q1939 E1940	N118-H120 PolarHBondContact O-N 3.03Å; N118-H120 VanDerWaalsContact O-N 3.11Å; H120-I122 VanDerWaalsContact C-N 3.29Å; H120-A123 WeakPolarHBondContact CE1-CB 3.4Å; H120-F1937 HydrophobicContact CB-CB 3.96Å; H120-F1937 VanDerWaalsContact CB-O 3.24Å; H120-F1937 WeakPolarHBondContact CB-O 3.38Å; H120-F1937 WeakPolarHBondContact CD2-CB 3.3Å; H120-G1938 VanDerWaalsContact ND1-CA 3.34Å; H120-G1938 WeakPolarHBondContact ND1-CA 3.44Å; H120-Q1939 PolarHBondContact CE1-N 3.49Å; H120-E1940 PolarHBondContact N-OE2 3.37Å
121	T	71.3	Confident	72.7	Confident	49 Å²	49	47.9 Å²	47.9	30%	0.301	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-41.4	161.1	-47.4	0	0	0	0	109.6	N118 Y119 F127 L153	N118-T121 WeakPolarHBondContact CB-OG1 3.26Å; N118-T121 WeakPolarHBondContact O-CA 3.13Å; N118-T121 WeakPolarHBondContact O-CB 3.34Å; N118-T121 PolarHBondContact O-N 3.36Å; N118-T121 PolarHBondContact O-OG1 3.44Å; Y119-T121 VanDerWaalsContact C-N 3.26Å; Y119-T121 PolarHBondContact O-N 2.82Å; T121-F127 HydrophobicContact CG2-CD2 4.17Å; T121-F127 HydrophobicContact CG2-CE2 3.93Å; T121-F127 WeakPolarHBondContact O-CB 3.4Å; T121-F127 WeakPolarHBondContact O-CD2 3.26Å; T121-F127 WeakPolarHBondContact O-CG 3.42Å; T121-L153 HydrophobicContact CG2-CD1 3.41Å; T121-L153 VanDerWaalsContact CG2-CD1 3.41Å
122	I	71.8	Confident	73	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-76.9	-31.3	-178.4	-47.9	-176.2	0	0	0	112.6	F66 M112 N118 Y119 H120 Q124 F127 F128	F66-I122 HydrophobicContact CD2-CG2 4.37Å; F66-I122 HydrophobicContact CE1-CG2 4.04Å; F66-I122 HydrophobicContact CE2-CD1 3.56Å; F66-I122 HydrophobicContact CE2-CG2 3.78Å; F66-I122 HydrophobicContact CZ-CB 4.42Å; F66-I122 HydrophobicContact CZ-CD1 3.75Å; F66-I122 HydrophobicContact CZ-CG2 3.62Å; M112-I122 HydrophobicContact CB-CD1 4.25Å; M112-I122 HydrophobicContact CG-CD1 4.41Å; M112-I122 HydrophobicContact SD-CD1 4.17Å; N118-I122 PolarHBondContact O-N 3.14Å; Y119-I122 CarbonylContact O-C 3.55Å; Y119-I122 WeakPolarHBondContact O-CA 3.48Å; Y119-I122 WeakPolarHBondContact O-CB 3.41Å; Y119-I122 PolarHBondContact O-N 3.49Å; H120-I122 VanDerWaalsContact C-N 3.29Å; I122-Q124 VanDerWaalsContact C-N 3.26Å; I122-Q124 PolarHBondContact O-N 3.07Å; I122-F127 HydrophobicContact CB-CD1 4.12Å; I122-F127 HydrophobicContact CB-CE1 4.12Å; I122-F127 HydrophobicContact CG1-CD1 4.43Å; I122-F127 HydrophobicContact CG1-CE1 3.95Å; I122-F127 HydrophobicContact CG1-CE2 4.44Å; I122-F127 HydrophobicContact CG1-CZ 3.95Å; I122-F127 HydrophobicContact CG2-CD1 3.73Å; I122-F127 HydrophobicContact CG2-CE1 3.78Å; I122-F128 HydrophobicContact CG2-CE1 4.45Å; I122-F128 HydrophobicContact CG2-CE2 3.71Å; I122-F128 HydrophobicContact CG2-CZ 3.5Å; I122-F128 VanDerWaalsContact CG2-CZ 3.5Å
123	A	65.1	Low	73.2	Confident	35 Å²	35	45.1 Å²	45.1	29%	0.289	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-5.7	178.9	0	0	0	0	0	114.3	Y119 H120	Y119-A123 HydrophobicContact CD1-CB 4.22Å; Y119-A123 HydrophobicContact CE1-CB 3.66Å; Y119-A123 HydrophobicContact CE2-CB 4.5Å; Y119-A123 PolarHBondContact O-N 2.77Å; H120-A123 WeakPolarHBondContact CE1-CB 3.4Å
124	Q	62.4	Low	73.4	Confident	32 Å²	32	43 Å²	43	15%	0.15	24%	0.24	C	C	.	.	S	Bend	trans	-66.5	135.7	170.7	-65.5	-147.5	-6.3	0	0	109.8	I122 N126 F127 G154	I122-Q124 VanDerWaalsContact C-N 3.26Å; I122-Q124 PolarHBondContact O-N 3.07Å; Q124-N126 PolarHBondContact O-N 2.8Å; Q124-N126 VanDerWaalsContact O-N 3.11Å; Q124-F127 HydrophobicContact CB-CB 4.48Å; Q124-F127 WeakPolarHBondContact O-CB 3.33Å; Q124-F127 PolarHBondContact O-N 3.09Å; Q124-G154 PolarHBondContact NE2-O 3.11Å
125	P	64.9	Low	73.7	Confident	82 Å²	82	39 Å²	39	53%	0.532	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.5	-169.8	18.3	-30.4	0	0	0	113.2	Y156	P125-Y156 HydrophobicContact CG-CE2 3.78Å
126	N	76	Confident	75.3	Confident	62 Å²	62	37 Å²	37	33%	0.332	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	5.2	-177.4	-53.6	47.1	0	0	0	113.2	Q124 F128 E129 A130	Q124-N126 PolarHBondContact O-N 2.8Å; Q124-N126 VanDerWaalsContact O-N 3.11Å; N126-F128 PolarHBondContact O-N 3.01Å; N126-E129 PolarHBondContact O-N 3.47Å; N126-A130 WeakPolarHBondContact O-CB 3.47Å; N126-A130 PolarHBondContact O-N 2.89Å
127	F	81.8	Confident	75.6	Confident	14 Å²	14	35.2 Å²	35.2	6%	0.061	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-48.7	-175.2	175.2	-96.8	0	0	0	112.6	L108 T121 I122 Q124 E129 A130 K131 L153	L108-F127 HydrophobicContact CD1-CE1 4.17Å; L108-F127 HydrophobicContact CD2-CE1 3.86Å; L108-F127 HydrophobicContact CD2-CZ 3.65Å; T121-F127 HydrophobicContact CG2-CD2 4.17Å; T121-F127 HydrophobicContact CG2-CE2 3.93Å; T121-F127 WeakPolarHBondContact O-CB 3.4Å; T121-F127 WeakPolarHBondContact O-CD2 3.26Å; T121-F127 WeakPolarHBondContact O-CG 3.42Å; I122-F127 HydrophobicContact CB-CD1 4.12Å; I122-F127 HydrophobicContact CB-CE1 4.12Å; I122-F127 HydrophobicContact CG1-CD1 4.43Å; I122-F127 HydrophobicContact CG1-CE1 3.95Å; I122-F127 HydrophobicContact CG1-CE2 4.44Å; I122-F127 HydrophobicContact CG1-CZ 3.95Å; I122-F127 HydrophobicContact CG2-CD1 3.73Å; I122-F127 HydrophobicContact CG2-CE1 3.78Å; Q124-F127 HydrophobicContact CB-CB 4.48Å; Q124-F127 WeakPolarHBondContact O-CB 3.33Å; Q124-F127 PolarHBondContact O-N 3.09Å; F127-E129 VanDerWaalsContact C-N 3.26Å; F127-E129 PolarHBondContact O-N 3.49Å; F127-A130 PolarHBondContact O-N 3.37Å; F127-K131 WeakPolarHBondContact O-CB 3.42Å; F127-K131 PolarHBondContact O-N 2.89Å; F127-L153 HydrophobicContact CD2-CD1 3.84Å; F127-L153 HydrophobicContact CE2-CD1 4.34Å
128	F	85.5	Confident	76	Confident	14 Å²	14	41.4 Å²	41.4	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-29.3	179.2	-69.3	-82.1	0	0	0	112.1	A59 L62 K63 F66 L108 I122 N126 A132	A59-F128 VanDerWaalsContact CB-C 3.47Å; A59-F128 HydrophobicContact CB-CB 3.97Å; A59-F128 VanDerWaalsContact CB-O 3.31Å; A59-F128 WeakPolarHBondContact CB-O 3.34Å; L62-F128 HydrophobicContact CB-CD1 3.98Å; K63-F128 HydrophobicContact CB-CB 4.34Å; K63-F128 HydrophobicContact CB-CD1 3.97Å; K63-F128 HydrophobicContact CB-CD2 4.04Å; K63-F128 HydrophobicContact CB-CE1 4.28Å; K63-F128 HydrophobicContact CB-CE2 4.35Å; K63-F128 HydrophobicContact CB-CG 3.83Å; K63-F128 HydrophobicContact CB-CZ 4.46Å; K63-F128 HydrophobicContact CD-CD2 4.04Å; K63-F128 HydrophobicContact CD-CE2 4.37Å; K63-F128 HydrophobicContact CG-CD2 3.98Å; K63-F128 HydrophobicContact CG-CE2 4.01Å; K63-F128 HydrophobicContact CG-CG 4.3Å; K63-F128 HydrophobicContact CG-CZ 4.37Å; F66-F128 HydrophobicContact CB-CE1 3.63Å; F66-F128 HydrophobicContact CB-CZ 3.78Å; F66-F128 HydrophobicContact CD1-CE1 4.49Å; F66-F128 AromaticContact CD1-CZ 3.8Å; F66-F128 HydrophobicContact CD1-CZ 3.8Å; F66-F128 HydrophobicContact CD2-CE1 4.1Å; F66-F128 AromaticContact CD2-CZ 3.98Å; F66-F128 HydrophobicContact CD2-CZ 3.98Å; F66-F128 HydrophobicContact CE1-CZ 4.4Å; F66-F128 AromaticContact CG-CE1 3.84Å; F66-F128 HydrophobicContact CG-CE1 3.84Å; F66-F128 AromaticContact CG-CZ 3.58Å; F66-F128 HydrophobicContact CG-CZ 3.58Å; L108-F128 HydrophobicContact CD1-CE1 4.35Å; I122-F128 HydrophobicContact CG2-CE1 4.45Å; I122-F128 HydrophobicContact CG2-CE2 3.71Å; I122-F128 HydrophobicContact CG2-CZ 3.5Å; I122-F128 VanDerWaalsContact CG2-CZ 3.5Å; N126-F128 PolarHBondContact O-N 3.01Å; F128-A132 WeakPolarHBondContact O-CB 3.37Å; F128-A132 PolarHBondContact O-N 3.21Å
129	E	84.7	Confident	76.3	Confident	34 Å²	34	43.8 Å²	43.8	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-46	173.9	-57.1	179.9	147	0	0	110.8	L44 V55 A59 N126 F127 K131 A132 A133	L44-E129 HydrophobicContact CD2-CB 4.03Å; V55-E129 HydrophobicContact CG1-CB 4.18Å; V55-E129 VanDerWaalsContact CG1-O 3.26Å; V55-E129 WeakPolarHBondContact CG1-O 3.25Å; A59-E129 HydrophobicContact CB-CB 4.5Å; A59-E129 HydrophobicContact CB-CG 4.03Å; N126-E129 PolarHBondContact O-N 3.47Å; F127-E129 VanDerWaalsContact C-N 3.26Å; F127-E129 PolarHBondContact O-N 3.49Å; E129-K131 VanDerWaalsContact C-N 3.31Å; E129-K131 PolarHBondContact O-N 3.49Å; E129-A132 PolarHBondContact O-N 2.82Å; E129-A133 VanDerWaalsContact O-CB 3.22Å; E129-A133 WeakPolarHBondContact O-CB 3.49Å; E129-A133 PolarHBondContact O-N 3.26Å
130	A	78.2	Confident	76.6	Confident	27 Å²	27	43.9 Å²	43.9	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-35.2	174.2	0	0	0	0	0	112.4	N126 F127 A133 E134	N126-A130 WeakPolarHBondContact O-CB 3.47Å; N126-A130 PolarHBondContact O-N 2.89Å; F127-A130 PolarHBondContact O-N 3.37Å; A130-A133 WeakPolarHBondContact O-CB 3.3Å; A130-E134 PolarHBondContact O-N 2.91Å; A130-E134 VanDerWaalsContact O-N 3.1Å
131	K	83	Confident	76.2	Confident	59 Å²	59	43.4 Å²	43.4	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-75.6	-38.4	175.6	-155.1	72	-171.4	167.2	0	112.3	F127 E129 A133 E134 L135	F127-K131 WeakPolarHBondContact O-CB 3.42Å; F127-K131 PolarHBondContact O-N 2.89Å; E129-K131 VanDerWaalsContact C-N 3.31Å; E129-K131 PolarHBondContact O-N 3.49Å; K131-A133 VanDerWaalsContact C-N 3.35Å; K131-E134 WeakPolarHBondContact CD-OE2 3.46Å; K131-E134 WeakPolarHBondContact CE-OE2 3.27Å; K131-E134 IonicContact NZ-OE1 2.68Å; K131-E134 IonicContact NZ-OE2 2.73Å; K131-E134 PolarHBondContact NZ-OE2 3.44Å; K131-E134 PolarHBondContact O-N 2.96Å; K131-L135 HydrophobicContact CG-CD1 4.38Å; K131-L135 VanDerWaalsContact O-CD1 3.25Å; K131-L135 WeakPolarHBondContact O-CD1 3.33Å; K131-L135 WeakPolarHBondContact O-CG 3.39Å; K131-L135 PolarHBondContact O-N 2.95Å; K131-L135 VanDerWaalsContact O-N 3.16Å
132	A	85.8	Confident	75	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-39.6	173.2	0	0	0	0	0	112.1	V55 L58 A59 L62 F128 E129 L135 L136	V55-A132 HydrophobicContact CG1-CB 4.11Å; V55-A132 VanDerWaalsContact O-CB 3.23Å; V55-A132 WeakPolarHBondContact O-CB 3.3Å; L58-A132 HydrophobicContact CB-CB 4.17Å; L58-A132 HydrophobicContact CD2-CB 3.51Å; L58-A132 HydrophobicContact CG-CB 4.46Å; A59-A132 HydrophobicContact CB-CB 3.9Å; L62-A132 HydrophobicContact CD1-CB 4.3Å; F128-A132 WeakPolarHBondContact O-CB 3.37Å; F128-A132 PolarHBondContact O-N 3.21Å; E129-A132 PolarHBondContact O-N 2.82Å; A132-L135 PolarHBondContact O-N 3.48Å; A132-L136 WeakPolarHBondContact O-CB 3.15Å; A132-L136 PolarHBondContact O-N 3.28Å
133	A	82.8	Confident	73.7	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-54.8	-57.3	170.1	0	0	0	0	0	112	A48 V55 E129 A130 K131 L135 L136 E137	A48-A133 HydrophobicContact CB-CB 3.38Å; V55-A133 HydrophobicContact CG1-CB 4.36Å; V55-A133 HydrophobicContact CG2-CB 4.31Å; E129-A133 VanDerWaalsContact O-CB 3.22Å; E129-A133 WeakPolarHBondContact O-CB 3.49Å; E129-A133 PolarHBondContact O-N 3.26Å; A130-A133 WeakPolarHBondContact O-CB 3.3Å; K131-A133 VanDerWaalsContact C-N 3.35Å; A133-L135 PolarHBondContact O-N 3.3Å; A133-L135 VanDerWaalsContact O-N 3.11Å; A133-L136 PolarHBondContact O-N 2.61Å; A133-E137 VanDerWaalsContact O-CB 3.25Å; A133-E137 WeakPolarHBondContact O-CB 3.27Å; A133-E137 PolarHBondContact O-N 3.09Å
134	E	81.7	Confident	72.4	Confident	46 Å²	46	58.3 Å²	58.3	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-55	-33.6	179.4	-165.9	-162.2	153.1	0	0	112.2	A130 K131 R138	A130-E134 PolarHBondContact O-N 2.91Å; A130-E134 VanDerWaalsContact O-N 3.1Å; K131-E134 WeakPolarHBondContact CD-OE2 3.46Å; K131-E134 WeakPolarHBondContact CE-OE2 3.27Å; K131-E134 IonicContact NZ-OE1 2.68Å; K131-E134 IonicContact NZ-OE2 2.73Å; K131-E134 PolarHBondContact NZ-OE2 3.44Å; K131-E134 PolarHBondContact O-N 2.96Å; E134-R138 VanDerWaalsContact O-CB 3.24Å; E134-R138 WeakPolarHBondContact O-CB 3.07Å; E134-R138 VanDerWaalsContact O-CD 3.28Å; E134-R138 WeakPolarHBondContact O-CD 3.49Å; E134-R138 WeakPolarHBondContact O-CG 3.42Å; E134-R138 PolarHBondContact O-N 3.25Å; E134-R138 IonicContact OE1-CZ 3.74Å; E134-R138 IonicContact OE1-NE 2.64Å; E134-R138 PolarHBondContact OE1-NE 3.47Å; E134-R138 IonicContact OE1-NH2 3.73Å; E134-R138 PolarHBondContact OE1-NH2 2.95Å
135	L	83.1	Confident	71	Confident	12 Å²	12	61.1 Å²	61.1	6%	0.063	35%	0.351	C	S	.	.	H	α-helix	trans	-82.1	-42.4	-178	-68	164.2	0	0	0	113.7	L58 L62 I104 K131 A132 A133 E137 R138 Y139	L58-L135 HydrophobicContact CD2-CD1 4.42Å; L62-L135 HydrophobicContact CD1-CD1 3.74Å; I104-L135 HydrophobicContact CD1-CD1 3.63Å; I104-L135 HydrophobicContact CD1-CD2 3.41Å; I104-L135 VanDerWaalsContact CD1-CD2 3.41Å; I104-L135 HydrophobicContact CD1-CG 4.12Å; I104-L135 HydrophobicContact CG2-CD1 4.08Å; K131-L135 HydrophobicContact CG-CD1 4.38Å; K131-L135 VanDerWaalsContact O-CD1 3.25Å; K131-L135 WeakPolarHBondContact O-CD1 3.33Å; K131-L135 WeakPolarHBondContact O-CG 3.39Å; K131-L135 PolarHBondContact O-N 2.95Å; K131-L135 VanDerWaalsContact O-N 3.16Å; A132-L135 PolarHBondContact O-N 3.48Å; A133-L135 PolarHBondContact O-N 3.3Å; A133-L135 VanDerWaalsContact O-N 3.11Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-R138 PolarHBondContact O-N 2.95Å; L135-Y139 WeakPolarHBondContact O-CD2 3.29Å; L135-Y139 PolarHBondContact O-N 3.16Å
136	L	83.6	Confident	69.8	Low	2 Å²	2	63 Å²	63	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-39.3	174.1	-75.9	167.3	0	0	0	110.1	F47 E54 V55 L58 I86 A132 A133 Y139 S140	F47-L136 HydrophobicContact CE1-CB 3.59Å; F47-L136 HydrophobicContact CZ-CB 3.91Å; E54-L136 HydrophobicContact CB-CD1 4.13Å; V55-L136 HydrophobicContact CB-CD1 4.46Å; V55-L136 HydrophobicContact CG2-CD1 3.83Å; L58-L136 HydrophobicContact CB-CD1 4.27Å; L58-L136 HydrophobicContact CD1-CD1 4.49Å; L58-L136 HydrophobicContact CD1-CD2 4.05Å; L58-L136 HydrophobicContact CD1-CG 4.15Å; I86-L136 HydrophobicContact CG2-CD2 4.29Å; A132-L136 WeakPolarHBondContact O-CB 3.15Å; A132-L136 PolarHBondContact O-N 3.28Å; A133-L136 PolarHBondContact O-N 2.61Å; L136-Y139 PolarHBondContact O-N 3.02Å; L136-Y139 VanDerWaalsContact O-N 3.15Å; L136-S140 WeakPolarHBondContact O-CB 3.34Å; L136-S140 PolarHBondContact O-N 2.84Å; L136-S140 PolarHBondContact O-OG 3.38Å
137	E	81.3	Confident	67.9	Low	78 Å²	78	66.7 Å²	66.7	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-43.5	174.4	-170.7	169.5	-145.7	0	0	112	N45 F47 A133 L135 Y139 S140 G141	N45-E137 VanDerWaalsContact ND2-CD 3.32Å; N45-E137 PolarHBondContact ND2-OE1 3.37Å; N45-E137 PolarHBondContact ND2-OE2 2.98Å; F47-E137 HydrophobicContact CD1-CB 3.73Å; F47-E137 HydrophobicContact CD1-CG 4.29Å; F47-E137 HydrophobicContact CE1-CB 3.94Å; F47-E137 VanDerWaalsContact CE1-N 3.27Å; F47-E137 HydrophobicContact CG-CB 4.21Å; F47-E137 HydrophobicContact CG-CG 4.3Å; A133-E137 VanDerWaalsContact O-CB 3.25Å; A133-E137 WeakPolarHBondContact O-CB 3.27Å; A133-E137 PolarHBondContact O-N 3.09Å; L135-E137 VanDerWaalsContact C-N 3.3Å; E137-Y139 PolarHBondContact O-N 3.29Å; E137-S140 PolarHBondContact O-OG 3.36Å; E137-G141 WeakPolarHBondContact O-CA 3.34Å; E137-G141 PolarHBondContact O-N 2.87Å
138	R	79.3	Confident	65.5	Low	159 Å²	159	75.7 Å²	75.7	60%	0.6	43%	0.428	S	S	*	.	H	α-helix	trans	-62.8	-16	173.4	-80.8	168.1	-179.4	-115.3	9.5	114.7	E134 L135	E134-R138 VanDerWaalsContact O-CB 3.24Å; E134-R138 WeakPolarHBondContact O-CB 3.07Å; E134-R138 VanDerWaalsContact O-CD 3.28Å; E134-R138 WeakPolarHBondContact O-CD 3.49Å; E134-R138 WeakPolarHBondContact O-CG 3.42Å; E134-R138 PolarHBondContact O-N 3.25Å; E134-R138 IonicContact OE1-CZ 3.74Å; E134-R138 IonicContact OE1-NE 2.64Å; E134-R138 PolarHBondContact OE1-NE 3.47Å; E134-R138 IonicContact OE1-NH2 3.73Å; E134-R138 PolarHBondContact OE1-NH2 2.95Å; L135-R138 PolarHBondContact O-N 2.95Å
139	Y	75	Confident	63.1	Low	98 Å²	98	82.6 Å²	82.6	38%	0.384	46%	0.46	S	S	.	.	H	α-helix	trans	-113.4	-22.9	179	-68.7	-53.9	0	0	0	115	L100 L135 L136 E137	L100-Y139 HydrophobicContact CD1-CD2 4.45Å; L100-Y139 HydrophobicContact CD1-CE2 3.51Å; L100-Y139 HydrophobicContact CD2-CE2 4Å; L100-Y139 HydrophobicContact CG-CE2 4.4Å; L135-Y139 WeakPolarHBondContact O-CD2 3.29Å; L135-Y139 PolarHBondContact O-N 3.16Å; L136-Y139 PolarHBondContact O-N 3.02Å; L136-Y139 VanDerWaalsContact O-N 3.15Å; E137-Y139 PolarHBondContact O-N 3.29Å
140	S	69	Low	60.8	Low	46 Å²	46	87.5 Å²	87.5	32%	0.322	49%	0.493	S	S	.	.	H	α-helix	trans	-79.3	-27.4	165.5	62.3	0	0	0	0	112.4	F47 L89 L136 E137 A142	F47-S140 WeakPolarHBondContact CE2-OG 3.2Å; F47-S140 VanDerWaalsContact CZ-OG 3.26Å; F47-S140 WeakPolarHBondContact CZ-OG 3.34Å; L89-S140 WeakPolarHBondContact O-CA 3.14Å; L89-S140 PolarHBondContact O-N 3.27Å; L136-S140 WeakPolarHBondContact O-CB 3.34Å; L136-S140 PolarHBondContact O-N 2.84Å; L136-S140 PolarHBondContact O-OG 3.38Å; E137-S140 PolarHBondContact O-OG 3.36Å; S140-A142 PolarHBondContact O-N 3.01Å
141	G	53.7	Low	58.8	Low	53 Å²	53	90.5 Å²	90.5	55%	0.546	51%	0.508	S	S	.	.			trans	-73.9	81.7	-178.5	0	0	0	0	0	113.7	E137	E137-G141 WeakPolarHBondContact O-CA 3.34Å; E137-G141 PolarHBondContact O-N 2.87Å
142	A	46.8	Very low	56.4	Low	84 Å²	84	90.6 Å²	90.6	69%	0.694	53%	0.525	S	S	*	.			trans	-66.5	142.6	168.5	0	0	0	0	0	112.1	S140 S144	S140-A142 PolarHBondContact O-N 3.01Å; A142-S144 PolarHBondContact O-N 2.77Å
143	E	43.2	Very low	53.8	Low	197 Å²	197	92.8 Å²	92.8	92%	0.921	54%	0.537	S	S	*	.	S	Bend	trans	66.2	21.8	160.2	-52.5	-163.9	130.4	0	0	120.6
144	S	38.7	Very low	51.3	Low	120 Å²	120	94.2 Å²	94.2	84%	0.839	55%	0.552	S	S	*	*			trans	-141.1	128.1	171.9	-78.9	0	0	0	0	116.1	A142	A142-S144 PolarHBondContact O-N 2.77Å
145	A	32.7	Very low	48.9	Very low	91 Å²	91	96.3 Å²	96.3	75%	0.752	57%	0.57	S	S	*	*			trans	-102.3	172.5	178.9	0	0	0	0	0	112.3
146	S	39.2	Very low	46.2	Very low	121 Å²	121	104 Å²	104	85%	0.846	60%	0.599	S	S	*	*			trans	64.3	79.7	176.7	62.2	0	0	0	0	116.8
147	L	37.3	Very low	43.7	Very low	141 Å²	141	112 Å²	112	74%	0.738	64%	0.637	S	S	*	*			trans	-150.3	90.5	155.6	-109.3	165	0	0	0	110.1	Q149	L147-Q149 HydrophobicContact CD2-CG 3.71Å; L147-Q149 PolarHBondContact O-N 3.36Å
148	Q	30.8	Very low	41.3	Very low	202 Å²	202	114.1 Å²	114.1	94%	0.944	66%	0.657	S	S	*	*			trans	-84.4	83.3	165.2	-80.5	-177.1	-41.1	0	0	108.7
149	Q	36.2	Very low	39.2	Very low	159 Å²	159	112.4 Å²	112.4	74%	0.743	66%	0.664	S	S	*	*			trans	-98.6	111.9	169	-89.8	-178.6	-14.1	0	0	110.5	L147 V151	L147-Q149 HydrophobicContact CD2-CG 3.71Å; L147-Q149 PolarHBondContact O-N 3.36Å; Q149-V151 PolarHBondContact O-N 3.46Å
150	T	34.7	Very low	37.4	Very low	138 Å²	138	113.4 Å²	113.4	85%	0.847	68%	0.676	S	S	*	*			trans	-73.1	111	177	-40.3	0	0	0	0	109.6	G152	T150-G152 PolarHBondContact O-N 3.27Å
151	V	36.6	Very low	36.1	Very low	90 Å²	90	115.5 Å²	115.5	55%	0.545	68%	0.683	S	S	.	*			trans	-68.9	100	178.1	-178.7	0	0	0	0	109.7	Q149 L153	Q149-V151 PolarHBondContact O-N 3.46Å; V151-L153 PolarHBondContact O-N 2.91Å
152	G	32.2	Very low	35.8	Very low	60 Å²	60	117.7 Å²	117.7	62%	0.619	69%	0.69	S	S	*	*			trans	-76.7	106.9	-177.9	0	0	0	0	0	112.7	T150 G154	T150-G152 PolarHBondContact O-N 3.27Å; G152-G154 PolarHBondContact O-N 3.44Å
153	L	31.6	Very low	35.8	Very low	47 Å²	47	115.4 Å²	115.4	25%	0.246	68%	0.675	C	S	.	*			trans	-89.2	90.9	-179.8	-72.1	159.9	0	0	0	110.8	T121 F127 V151	T121-L153 HydrophobicContact CG2-CD1 3.41Å; T121-L153 VanDerWaalsContact CG2-CD1 3.41Å; F127-L153 HydrophobicContact CD2-CD1 3.84Å; F127-L153 HydrophobicContact CE2-CD1 4.34Å; V151-L153 PolarHBondContact O-N 2.91Å
154	G	31.4	Very low	35.6	Very low	35 Å²	35	110.1 Å²	110.1	36%	0.361	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-75.4	170.6	177.3	0	0	0	0	0	114	Q124 G152	Q124-G154 PolarHBondContact NE2-O 3.11Å; G152-G154 PolarHBondContact O-N 3.44Å
155	P	30	Very low	36.1	Very low	90 Å²	90	109.9 Å²	109.9	58%	0.584	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-72.2	145.2	172.2	30.5	-34	0	0	0	111.7	F1937	P155-F1937 HydrophobicContact CB-CE1 4.34Å
156	Y	27.3	Very low	36.4	Very low	173 Å²	173	108.4 Å²	108.4	68%	0.678	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-61.9	134.6	173.3	-116.7	-105	0	0	0	111.1	P125	P125-Y156 HydrophobicContact CG-CE2 3.78Å
157	Q	29.9	Very low	36.4	Very low	171 Å²	171	105 Å²	105	80%	0.799	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-74	147.8	158.6	-79.5	178.7	-79.3	0	0	109.5
158	P	32.5	Very low	36.5	Very low	121 Å²	121	99.4 Å²	99.4	79%	0.786	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-61.4	153.3	168.2	28.9	-34.8	0	0	0	110.2	D160	P158-D160 PolarHBondContact O-N 2.94Å
159	V	34.2	Very low	36.9	Very low	123 Å²	123	95.3 Å²	95.3	75%	0.745	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-60.4	122.2	174.6	177.2	0	0	0	0	108.7	L161	V159-L161 HydrophobicContact CG1-CD2 4.44Å; V159-L161 PolarHBondContact O-N 2.91Å
160	D	38	Very low	36.8	Very low	120 Å²	120	91.3 Å²	91.3	64%	0.642	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-72	121.1	175.4	-171.3	8	0	0	0	109.7	P158 S162	P158-D160 PolarHBondContact O-N 2.94Å; D160-S162 WeakPolarHBondContact OD1-CB 3.47Å; D160-S162 PolarHBondContact OD1-N 3.32Å; D160-S162 PolarHBondContact OD1-OG 2.77Å; D160-S162 VanDerWaalsContact OD1-OG 3.07Å; D160-S162 PolarHBondContact OD2-OG 2.91Å
161	L	40.8	Very low	37.1	Very low	89 Å²	89	88.9 Å²	88.9	47%	0.466	52%	0.516	S	S	.	.			trans	-97.1	7.5	178.7	-66.7	175.6	0	0	0	112.2	V159 G163 F164	V159-L161 HydrophobicContact CG1-CD2 4.44Å; V159-L161 PolarHBondContact O-N 2.91Å; L161-G163 PolarHBondContact O-N 3.08Å; L161-F164 HydrophobicContact CD2-CD2 4.26Å; L161-F164 HydrophobicContact CD2-CE2 4.19Å; L161-F164 PolarHBondContact O-N 2.96Å
162	S	47.9	Very low	37	Very low	99 Å²	99	89.9 Å²	89.9	69%	0.692	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-10.9	179.2	65.7	0	0	0	0	115.6	D160	D160-S162 WeakPolarHBondContact OD1-CB 3.47Å; D160-S162 PolarHBondContact OD1-N 3.32Å; D160-S162 PolarHBondContact OD1-OG 2.77Å; D160-S162 VanDerWaalsContact OD1-OG 3.07Å; D160-S162 PolarHBondContact OD2-OG 2.91Å
163	G	46.2	Very low	37.2	Very low	37 Å²	37	92.6 Å²	92.6	38%	0.381	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	13.9	-178.2	0	0	0	0	0	117.1	L161 K195	L161-G163 PolarHBondContact O-N 3.08Å; G163-K195 PolarHBondContact O-NZ 2.8Å
164	F	40.1	Very low	37.7	Very low	86 Å²	86	92.4 Å²	92.4	38%	0.377	52%	0.523	S	S	.	.			trans	-126.6	122.8	178.9	-64.8	-87.4	0	0	0	110.9	L161 V167 A193 K195	L161-F164 HydrophobicContact CD2-CD2 4.26Å; L161-F164 HydrophobicContact CD2-CE2 4.19Å; L161-F164 PolarHBondContact O-N 2.96Å; F164-V167 HydrophobicContact CB-CG2 3.75Å; F164-A193 HydrophobicContact CB-CB 4.29Å; F164-A193 HydrophobicContact CD1-CB 3.52Å; F164-A193 HydrophobicContact CD2-CB 4.38Å; F164-A193 HydrophobicContact CE1-CB 3.82Å; F164-A193 HydrophobicContact CG-CB 3.83Å; F164-A193 HydrophobicContact CZ-CB 4.38Å; F164-K195 HydrophobicContact CD1-CB 4.36Å
165	D	48.5	Very low	37.9	Very low	115 Å²	115	95 Å²	95	62%	0.615	53%	0.526	S	S	*	.	S	Bend	trans	-76.5	-29.8	-172.5	-45.7	-78.3	0	0	0	112.8
166	E	38.5	Very low	38.4	Very low	60 Å²	60	94.4 Å²	94.4	28%	0.28	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.7	166.4	-71.4	-167.8	153.6	0	0	110.4	K168 A193 T194	E166-K168 HydrophobicContact CB-CG 4.47Å; E166-K168 WeakPolarHBondContact OE1-CE 3.43Å; E166-K168 IonicContact OE1-NZ 2.64Å; E166-K168 PolarHBondContact OE1-NZ 3.08Å; E166-K168 VanDerWaalsContact OE2-CE 3.26Å; E166-K168 WeakPolarHBondContact OE2-CE 3.4Å; E166-K168 IonicContact OE2-NZ 2.69Å; E166-K168 PolarHBondContact OE2-NZ 2.8Å; E166-A193 CarbonylContact O-C 3.59Å; E166-A193 VanDerWaalsContact O-CA 3.31Å; E166-A193 WeakPolarHBondContact O-CA 2.95Å; E166-T194 VanDerWaalsContact CB-OG1 3.32Å; E166-T194 WeakPolarHBondContact CB-OG1 3.36Å; E166-T194 PolarHBondContact N-O 3.37Å; E166-T194 VanDerWaalsContact N-O 3.12Å; E166-T194 PolarHBondContact O-N 2.8Å; E166-T194 WeakPolarHBondContact OE2-CB 3.24Å; E166-T194 PolarHBondContact OE2-OG1 3.25Å
167	V	40.3	Very low	38.8	Very low	49 Å²	49	90.4 Å²	90.4	30%	0.297	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	77.8	165.1	-175	0	0	0	0	108.8	F164 N169	F164-V167 HydrophobicContact CB-CG2 3.75Å; V167-N169 VanDerWaalsContact C-N 3.33Å; V167-N169 PolarHBondContact O-N 2.8Å
168	K	39.3	Very low	39.3	Very low	23 Å²	23	87 Å²	87	10%	0.1	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	90.1	175.7	-74.5	178.6	-177.3	167.9	0	109.6	E166 Y170 E192	E166-K168 HydrophobicContact CB-CG 4.47Å; E166-K168 WeakPolarHBondContact OE1-CE 3.43Å; E166-K168 IonicContact OE1-NZ 2.64Å; E166-K168 PolarHBondContact OE1-NZ 3.08Å; E166-K168 VanDerWaalsContact OE2-CE 3.26Å; E166-K168 WeakPolarHBondContact OE2-CE 3.4Å; E166-K168 IonicContact OE2-NZ 2.69Å; E166-K168 PolarHBondContact OE2-NZ 2.8Å; K168-Y170 HydrophobicContact CB-CD2 3.95Å; K168-Y170 HydrophobicContact CB-CE2 3.59Å; K168-Y170 HydrophobicContact CD-CE2 4.35Å; K168-Y170 WeakPolarHBondContact O-CD2 3.4Å; K168-Y170 PolarHBondContact O-N 2.9Å; K168-E192 CarbonylContact C-O 3.6Å; K168-E192 WeakPolarHBondContact CA-O 3.49Å; K168-E192 PolarHBondContact N-O 2.72Å; K168-E192 PolarHBondContact O-N 3.22Å
169	N	38.5	Very low	39.3	Very low	117 Å²	117	85.6 Å²	85.6	63%	0.626	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	92.7	154.6	-78.2	-63.4	0	0	0	108	V167 A171 T191	V167-N169 VanDerWaalsContact C-N 3.33Å; V167-N169 PolarHBondContact O-N 2.8Å; N169-A171 PolarHBondContact O-N 2.89Å; N169-T191 WeakPolarHBondContact OD1-CG2 3.11Å
170	Y	35.5	Very low	39	Very low	75 Å²	75	83.3 Å²	83.3	29%	0.294	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	81.9	167	-75.6	-84	0	0	0	108.7	K168 Y172 C190 E192	K168-Y170 HydrophobicContact CB-CD2 3.95Å; K168-Y170 HydrophobicContact CB-CE2 3.59Å; K168-Y170 HydrophobicContact CD-CE2 4.35Å; K168-Y170 WeakPolarHBondContact O-CD2 3.4Å; K168-Y170 PolarHBondContact O-N 2.9Å; Y170-Y172 HydrophobicContact CD1-CE2 4.2Å; Y170-Y172 HydrophobicContact CG-CD2 4.48Å; Y170-Y172 HydrophobicContact CG-CE2 4.03Å; Y170-Y172 PolarHBondContact O-N 3.39Å; Y170-C190 PolarHBondContact N-O 3.17Å; Y170-C190 VanDerWaalsContact N-O 3.09Å; Y170-E192 HydrophobicContact CD2-CB 3.93Å; Y170-E192 HydrophobicContact CD2-CG 3.93Å; Y170-E192 HydrophobicContact CE2-CB 3.84Å; Y170-E192 HydrophobicContact CE2-CG 4.04Å; Y170-E192 VanDerWaalsContact CE2-OE2 3.3Å; Y170-E192 WeakPolarHBondContact CE2-OE2 3.47Å
171	A	39.3	Very low	38.7	Very low	86 Å²	86	81 Å²	81	71%	0.711	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	73.3	148.6	0	0	0	0	0	107.4	N169	N169-A171 PolarHBondContact O-N 2.89Å
172	Y	34.9	Very low	38.1	Very low	112 Å²	112	83.2 Å²	83.2	44%	0.439	48%	0.476	S	S	.	.			trans	-50.2	127.5	167.9	-86.8	-82.1	0	0	0	107.2	Y170 A174 R188	Y170-Y172 HydrophobicContact CD1-CE2 4.2Å; Y170-Y172 HydrophobicContact CG-CD2 4.48Å; Y170-Y172 HydrophobicContact CG-CE2 4.03Å; Y170-Y172 PolarHBondContact O-N 3.39Å; Y172-A174 PolarHBondContact O-N 2.97Å; Y172-A174 VanDerWaalsContact O-N 3.13Å; Y172-R188 HydrophobicContact CD2-CB 4.2Å
173	P	37.2	Very low	37.4	Very low	116 Å²	116	83.2 Å²	83.2	75%	0.753	47%	0.472	S	S	*	.			trans	-54.3	127.6	170.7	24.6	-32.8	0	0	0	106.7	E175	P173-E175 PolarHBondContact O-N 3.22Å
174	A	40.9	Very low	36.8	Very low	44 Å²	44	86.9 Å²	86.9	36%	0.364	48%	0.475	S	S	.	.			trans	-37.8	113.6	-170.3	0	0	0	0	0	111	Y172 V176 V185	Y172-A174 PolarHBondContact O-N 2.97Å; Y172-A174 VanDerWaalsContact O-N 3.13Å; A174-V176 HydrophobicContact CB-CG2 4.17Å; A174-V176 WeakPolarHBondContact O-CG2 3.46Å; A174-V176 PolarHBondContact O-N 3.18Å; A174-V185 HydrophobicContact CB-CB 4.43Å; A174-V185 HydrophobicContact CB-CG1 3.63Å; A174-V185 HydrophobicContact CB-CG2 4.21Å
175	E	35.5	Very low	36.8	Very low	90 Å²	90	86 Å²	86	42%	0.421	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	84.7	179.6	-166.2	-167.2	-154.9	0	0	107.4	P173 K177 V186	P173-E175 PolarHBondContact O-N 3.22Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 3.45Å; E175-K177 IonicContact OE1-NZ 3.49Å; E175-K177 PolarHBondContact OE1-NZ 2.89Å; E175-K177 WeakPolarHBondContact OE2-CE 3.46Å; E175-K177 IonicContact OE2-NZ 2.63Å; E175-K177 PolarHBondContact OE2-NZ 3.3Å; E175-V186 HydrophobicContact CB-CB 4.38Å; E175-V186 PolarHBondContact O-N 3.07Å
176	V	40.4	Very low	36.2	Very low	77 Å²	77	83.1 Å²	83.1	47%	0.467	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	86.7	-174.3	-175.5	0	0	0	0	109.5	A174 V178 T183 Y184 V185	A174-V176 HydrophobicContact CB-CG2 4.17Å; A174-V176 WeakPolarHBondContact O-CG2 3.46Å; A174-V176 PolarHBondContact O-N 3.18Å; V176-V178 PolarHBondContact O-N 3.28Å; V176-T183 HydrophobicContact CG1-CG2 3.56Å; V176-Y184 WeakPolarHBondContact CA-O 3.47Å; V176-V185 HydrophobicContact CG2-CG2 4.39Å
177	K	35.8	Very low	36.2	Very low	89 Å²	89	86.3 Å²	86.3	39%	0.387	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.1	173.6	-84.4	170.3	171.4	148.4	0	109.2	E175 I179 Y184 V186	E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 3.45Å; E175-K177 IonicContact OE1-NZ 3.49Å; E175-K177 PolarHBondContact OE1-NZ 2.89Å; E175-K177 WeakPolarHBondContact OE2-CE 3.46Å; E175-K177 IonicContact OE2-NZ 2.63Å; E175-K177 PolarHBondContact OE2-NZ 3.3Å; K177-I179 HydrophobicContact CB-CD1 4.19Å; K177-I179 HydrophobicContact CB-CG1 4.26Å; K177-I179 PolarHBondContact O-N 2.78Å; K177-Y184 PolarHBondContact N-O 2.83Å; K177-Y184 WeakPolarHBondContact O-CB 3.23Å; K177-Y184 PolarHBondContact O-N 2.85Å; K177-V186 HydrophobicContact CB-CG2 4.46Å; K177-V186 HydrophobicContact CD-CG2 4.13Å
178	V	41.8	Very low	36	Very low	99 Å²	99	91.8 Å²	91.8	60%	0.6	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	109.3	167.8	-176	0	0	0	0	108.4	V176 K182 T183	V176-V178 PolarHBondContact O-N 3.28Å; V178-K182 WeakPolarHBondContact CA-O 3.25Å; V178-T183 HydrophobicContact CG2-CG2 3.98Å
179	I	31.2	Very low	35.9	Very low	92 Å²	92	96.6 Å²	96.6	47%	0.472	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131	176.2	-54.4	173	0	0	0	106.9	K177 G181 K182 Y184	K177-I179 HydrophobicContact CB-CD1 4.19Å; K177-I179 HydrophobicContact CB-CG1 4.26Å; K177-I179 PolarHBondContact O-N 2.78Å; I179-G181 PolarHBondContact O-N 3.31Å; I179-G181 VanDerWaalsContact O-N 3.1Å; I179-K182 PolarHBondContact N-O 3.15Å; I179-K182 WeakPolarHBondContact O-CB 3.46Å; I179-K182 PolarHBondContact O-N 2.8Å; I179-Y184 HydrophobicContact CB-CD2 3.83Å; I179-Y184 HydrophobicContact CB-CE2 3.82Å; I179-Y184 HydrophobicContact CD1-CD2 4.28Å; I179-Y184 HydrophobicContact CG1-CD2 4.23Å
180	D	29.2	Very low	35.7	Very low	75 Å²	75	93.3 Å²	93.3	40%	0.401	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	30.8	-173.8	-84.7	35.4	0	0	0	114	K182 I276 R278	D180-K182 PolarHBondContact O-N 3.37Å; D180-I276 WeakPolarHBondContact OD1-CG2 3.39Å; D180-R278 IonicContact OD2-CZ 2.73Å; D180-R278 IonicContact OD2-NE 2.96Å; D180-R278 PolarHBondContact OD2-NE 3.3Å; D180-R278 IonicContact OD2-NH2 3.59Å; D180-R278 PolarHBondContact OD2-NH2 3.36Å
181	G	31	Very low	35.9	Very low	70 Å²	70	94.4 Å²	94.4	72%	0.722	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	2.3	-175.7	0	0	0	0	0	114.8	I179	I179-G181 PolarHBondContact O-N 3.31Å; I179-G181 VanDerWaalsContact O-N 3.1Å
182	K	29.1	Very low	35.7	Very low	137 Å²	137	94.9 Å²	94.9	60%	0.596	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.4	172.2	-62.7	-175.5	176.4	-171.3	0	110.2	V178 I179 D180 Y184	V178-K182 WeakPolarHBondContact CA-O 3.25Å; I179-K182 PolarHBondContact N-O 3.15Å; I179-K182 WeakPolarHBondContact O-CB 3.46Å; I179-K182 PolarHBondContact O-N 2.8Å; D180-K182 PolarHBondContact O-N 3.37Å; K182-Y184 HydrophobicContact CB-CD2 4.2Å; K182-Y184 HydrophobicContact CB-CE2 3.74Å; K182-Y184 WeakPolarHBondContact O-CD2 3.44Å; K182-Y184 PolarHBondContact O-N 2.61Å
183	T	32.9	Very low	35.8	Very low	98 Å²	98	91.5 Å²	91.5	60%	0.601	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	88.5	174.9	33.7	0	0	0	0	110.7	V176 V178 V185	V176-T183 HydrophobicContact CG1-CG2 3.56Å; V178-T183 HydrophobicContact CG2-CG2 3.98Å; T183-V185 PolarHBondContact O-N 3.21Å; T183-V185 VanDerWaalsContact O-N 3.16Å
184	Y	33.9	Very low	35.8	Very low	115 Å²	115	88.7 Å²	88.7	45%	0.451	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	105.7	172.6	-69.3	-94.4	0	0	0	110	V176 K177 I179 K182 V186	V176-Y184 WeakPolarHBondContact CA-O 3.47Å; K177-Y184 PolarHBondContact N-O 2.83Å; K177-Y184 WeakPolarHBondContact O-CB 3.23Å; K177-Y184 PolarHBondContact O-N 2.85Å; I179-Y184 HydrophobicContact CB-CD2 3.83Å; I179-Y184 HydrophobicContact CB-CE2 3.82Å; I179-Y184 HydrophobicContact CD1-CD2 4.28Å; I179-Y184 HydrophobicContact CG1-CD2 4.23Å; K182-Y184 HydrophobicContact CB-CD2 4.2Å; K182-Y184 HydrophobicContact CB-CE2 3.74Å; K182-Y184 WeakPolarHBondContact O-CD2 3.44Å; K182-Y184 PolarHBondContact O-N 2.61Å; Y184-V186 PolarHBondContact O-N 3.28Å
185	V	39.6	Very low	35.6	Very low	68 Å²	68	92 Å²	92	41%	0.412	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	99.9	167.3	168.9	0	0	0	0	108.6	A174 V176 T183 H187	A174-V185 HydrophobicContact CB-CB 4.43Å; A174-V185 HydrophobicContact CB-CG1 3.63Å; A174-V185 HydrophobicContact CB-CG2 4.21Å; V176-V185 HydrophobicContact CG2-CG2 4.39Å; T183-V185 PolarHBondContact O-N 3.21Å; T183-V185 VanDerWaalsContact O-N 3.16Å; V185-H187 WeakPolarHBondContact CG1-NE2 3.36Å; V185-H187 PolarHBondContact O-N 3.26Å; V185-H187 VanDerWaalsContact O-N 3.16Å
186	V	36.5	Very low	35.7	Very low	54 Å²	54	94 Å²	94	33%	0.327	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	89.4	178.5	-175.6	0	0	0	0	110.1	E175 K177 Y184 R188	E175-V186 HydrophobicContact CB-CB 4.38Å; E175-V186 PolarHBondContact O-N 3.07Å; K177-V186 HydrophobicContact CB-CG2 4.46Å; K177-V186 HydrophobicContact CD-CG2 4.13Å; Y184-V186 PolarHBondContact O-N 3.28Å; V186-R188 PolarHBondContact O-N 3.28Å
187	H	37.6	Very low	35.5	Very low	126 Å²	126	93 Å²	93	58%	0.583	50%	0.499	S	S	*	.			trans	-70.6	91.8	172.7	-78.8	-61.7	0	0	0	112	V185 N189	V185-H187 WeakPolarHBondContact CG1-NE2 3.36Å; V185-H187 PolarHBondContact O-N 3.26Å; V185-H187 VanDerWaalsContact O-N 3.16Å; H187-N189 VanDerWaalsContact C-N 3.3Å; H187-N189 PolarHBondContact O-N 3.38Å; H187-N189 VanDerWaalsContact O-N 3.13Å
188	R	36.8	Very low	35.4	Very low	164 Å²	164	95.9 Å²	95.9	62%	0.619	52%	0.518	S	S	*	.			trans	-79.4	78.8	160.6	-79.2	-173.4	169.5	-173.6	-2.6	110.3	Y172 V186 C190	Y172-R188 HydrophobicContact CD2-CB 4.2Å; V186-R188 PolarHBondContact O-N 3.28Å; R188-C190 VanDerWaalsContact C-N 3.27Å; R188-C190 PolarHBondContact O-N 3.28Å
189	N	35.9	Very low	34.8	Very low	125 Å²	125	102.5 Å²	102.5	67%	0.668	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	86	169.5	-74	-7.9	0	0	0	109.6	H187	H187-N189 VanDerWaalsContact C-N 3.3Å; H187-N189 PolarHBondContact O-N 3.38Å; H187-N189 VanDerWaalsContact O-N 3.13Å
190	C	34.3	Very low	34.6	Very low	48 Å²	48	102 Å²	102	32%	0.324	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	106.7	176.6	-64.6	0	0	0	0	109.3	Y170 R188 E192	Y170-C190 PolarHBondContact N-O 3.17Å; Y170-C190 VanDerWaalsContact N-O 3.09Å; R188-C190 VanDerWaalsContact C-N 3.27Å; R188-C190 PolarHBondContact O-N 3.28Å; C190-E192 PolarHBondContact O-N 2.84Å
191	T	40.1	Very low	34.6	Very low	97 Å²	97	103.7 Å²	103.7	60%	0.595	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.2	91.4	161.1	14.9	0	0	0	0	108.4	N169 A193	N169-T191 WeakPolarHBondContact OD1-CG2 3.11Å; T191-A193 PolarHBondContact O-N 3.48Å
192	E	35.3	Very low	34.4	Very low	97 Å²	97	106.1 Å²	106.1	45%	0.453	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84	107.5	166.1	-67.1	-163.6	167.9	0	0	108.2	K168 Y170 C190 T194	K168-E192 CarbonylContact C-O 3.6Å; K168-E192 WeakPolarHBondContact CA-O 3.49Å; K168-E192 PolarHBondContact N-O 2.72Å; K168-E192 PolarHBondContact O-N 3.22Å; Y170-E192 HydrophobicContact CD2-CB 3.93Å; Y170-E192 HydrophobicContact CD2-CG 3.93Å; Y170-E192 HydrophobicContact CE2-CB 3.84Å; Y170-E192 HydrophobicContact CE2-CG 4.04Å; Y170-E192 VanDerWaalsContact CE2-OE2 3.3Å; Y170-E192 WeakPolarHBondContact CE2-OE2 3.47Å; C190-E192 PolarHBondContact O-N 2.84Å; E192-T194 PolarHBondContact O-N 2.94Å
193	A	37.5	Very low	34.4	Very low	41 Å²	41	103.1 Å²	103.1	34%	0.339	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	82.2	174.3	0	0	0	0	0	108.6	F164 E166 T191 K195	F164-A193 HydrophobicContact CB-CB 4.29Å; F164-A193 HydrophobicContact CD1-CB 3.52Å; F164-A193 HydrophobicContact CD2-CB 4.38Å; F164-A193 HydrophobicContact CE1-CB 3.82Å; F164-A193 HydrophobicContact CG-CB 3.83Å; F164-A193 HydrophobicContact CZ-CB 4.38Å; E166-A193 CarbonylContact O-C 3.59Å; E166-A193 VanDerWaalsContact O-CA 3.31Å; E166-A193 WeakPolarHBondContact O-CA 2.95Å; T191-A193 PolarHBondContact O-N 3.48Å; A193-K195 PolarHBondContact O-N 2.93Å
194	T	37.4	Very low	34.3	Very low	57 Å²	57	106.5 Å²	106.5	35%	0.35	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.1	126.3	177.4	-4.4	0	0	0	0	109.9	E166 E192	E166-T194 VanDerWaalsContact CB-OG1 3.32Å; E166-T194 WeakPolarHBondContact CB-OG1 3.36Å; E166-T194 PolarHBondContact N-O 3.37Å; E166-T194 VanDerWaalsContact N-O 3.12Å; E166-T194 PolarHBondContact O-N 2.8Å; E166-T194 WeakPolarHBondContact OE2-CB 3.24Å; E166-T194 PolarHBondContact OE2-OG1 3.25Å; E192-T194 PolarHBondContact O-N 2.94Å
195	K	36.4	Very low	34.1	Very low	112 Å²	112	106.9 Å²	106.9	49%	0.487	60%	0.602	S	S	.	*			trans	-112.7	109.2	171.3	-171.5	164.2	-170.6	146.2	0	109.8	G163 F164 A193 S197	G163-K195 PolarHBondContact O-NZ 2.8Å; F164-K195 HydrophobicContact CD1-CB 4.36Å; A193-K195 PolarHBondContact O-N 2.93Å; K195-S197 PolarHBondContact O-N 2.99Å
196	L	37	Very low	33.6	Very low	133 Å²	133	110.5 Å²	110.5	70%	0.696	62%	0.619	S	S	*	*			trans	-70.3	112.3	-176.2	-80.9	157.9	0	0	0	110.4
197	S	36.8	Very low	33.3	Very low	55 Å²	55	113.2 Å²	113.2	39%	0.385	64%	0.64	S	S	.	*			trans	-153.9	97.6	172.7	41.4	0	0	0	0	113.1	K195	K195-S197 PolarHBondContact O-N 2.99Å
198	D	33.2	Very low	32.8	Very low	150 Å²	150	110.6 Å²	110.6	80%	0.802	65%	0.647	S	S	*	*			trans	41.9	116.2	150.2	-62	-27.7	0	0	0	123.4
199	Y	28.4	Very low	32.5	Very low	238 Å²	238	111.7 Å²	111.7	93%	0.933	66%	0.657	S	S	*	*				34.6	106.4	126.8	-80.4	-92.1	0	0	0	119.6
200	G	28.4	Very low	32.2	Very low	83 Å²	83	112.8 Å²	112.8	86%	0.856	66%	0.662	S	S	*	*			trans	-159.8	103.3	168	0	0	0	0	0	114.7
201	S	27.9	Very low	32	Very low	110 Å²	110	113.3 Å²	113.3	77%	0.769	68%	0.676	S	S	*	*			trans	-74	146.4	-170.2	-52.7	0	0	0	0	117.1
202	S	26.7	Very low	31.5	Very low	121 Å²	121	116.2 Å²	116.2	85%	0.846	68%	0.682	S	S	*	*			trans	75.1	130.6	134.4	68	0	0	0	0	122.9
203	G	30.7	Very low	31.1	Very low	73 Å²	73	118.3 Å²	118.3	75%	0.753	69%	0.692	S	S	*	*			trans	87	166.4	147.7	0	0	0	0	0	117.5
204	Q	29.5	Very low	30.7	Very low	169 Å²	169	122 Å²	122	79%	0.79	70%	0.702	S	S	*	*			cis	-169.7	154.3	-15.8	-132.3	-171.9	-5.7	0	0	109.7
205	L	31	Very low	30.3	Very low	124 Å²	124	122.4 Å²	122.4	65%	0.649	70%	0.704	S	S	*	*			trans	69.1	118.2	155.7	-57.3	166.8	0	0	0	117.2
206	N	27.9	Very low	30	Very low	143 Å²	143	119.9 Å²	119.9	77%	0.765	70%	0.701	S	S	*	*				81.6	151.1	94.1	-74	-1.4	0	0	0	115.5
207	S	30.3	Very low	29.5	Very low	112 Å²	112	120.1 Å²	120.1	78%	0.783	70%	0.702	S	S	*	*			cis	-171.2	151.7	-4.3	43	0	0	0	0	113
208	G	28.3	Very low	29.4	Very low	71 Å²	71	120.9 Å²	120.9	73%	0.732	71%	0.706	S	S	*	*			trans	91.6	164.5	152.1	0	0	0	0	0	117.6
209	F	28.8	Very low	29.4	Very low	187 Å²	187	118.7 Å²	118.7	82%	0.82	69%	0.694	S	S	*	*			cis	-160.3	134.1	-2.5	-147.8	-119.6	0	0	0	111.5
210	L	31	Very low	29.5	Very low	147 Å²	147	110.7 Å²	110.7	77%	0.77	67%	0.673	S	S	*	*			trans	62.6	138.3	168.7	-57.9	168.9	0	0	0	119.3
211	G	28.8	Very low	29.3	Very low	60 Å²	60	111.9 Å²	111.9	62%	0.619	67%	0.668	S	S	*	*			cis	162.9	162.1	-13.1	0	0	0	0	0	115.8
212	H	29.8	Very low	29.4	Very low	158 Å²	158	113 Å²	113	73%	0.731	67%	0.67	S	S	*	*			trans	68.6	144.9	170.3	-62.8	55.4	0	0	0	117
213	Q	28.3	Very low	29.3	Very low	141 Å²	141	113.4 Å²	113.4	66%	0.659	67%	0.668	S	S	*	*			cis	-162.2	155.8	-20.4	-101.9	-173.5	25.9	0	0	104.4
214	Q	28.3	Very low	29.2	Very low	119 Å²	119	117 Å²	117	56%	0.556	68%	0.675	S	S	*	*			cis	-161.9	141.9	17	-135.3	-176.3	70.9	0	0	110.7	K252	Q214-K252 VanDerWaalsContact OE1-NZ 3.13Å
215	T	29.8	Very low	29	Very low	64 Å²	64	115.6 Å²	115.6	39%	0.393	68%	0.678	S	S	.	*			trans	61.4	144.8	155.9	47.7	0	0	0	0	122.8	K252	T215-K252 WeakPolarHBondContact OG1-CD 3.45Å; T215-K252 WeakPolarHBondContact OG1-CE 3.19Å; T215-K252 PolarHBondContact OG1-NZ 3.18Å
216	S	29.4	Very low	28.8	Very low	60 Å²	60	118 Å²	118	42%	0.42	69%	0.69	S	S	.	*			cis	177.3	93.2	-27	48.3	0	0	0	0	115	V250	S216-V250 WeakPolarHBondContact O-CB 3.47Å; S216-V250 WeakPolarHBondContact O-CG2 3.33Å
217	L	27.3	Very low	28.8	Very low	137 Å²	137	115.7 Å²	115.7	72%	0.717	68%	0.681	S	S	*	*			trans	70.5	164.1	137.2	-64	169.6	0	0	0	122.1	S249	L217-S249 CarbonylContact C-O 3.56Å; L217-S249 VanDerWaalsContact C-O 3.31Å; L217-S249 CarbonylContact O-C 3.6Å; L217-S249 PolarHBondContact O-OG 3.24Å
218	P	34.7	Very low	28.7	Very low	72 Å²	72	120.5 Å²	120.5	47%	0.468	68%	0.682	S	S	.	*			trans	-122.9	-148.6	-159.7	45.4	-30.1	0	0	0	113.8	N248	P218-N248 WeakPolarHBondContact CA-O 3.34Å; P218-N248 WeakPolarHBondContact CB-O 3.38Å
219	L	32.9	Very low	28.6	Very low	104 Å²	104	124.9 Å²	124.9	55%	0.545	68%	0.681	S	S	.	*			trans	-170.7	148.2	141.4	-123.7	73.2	0	0	0	116.5	Y247	L219-Y247 HydrophobicContact CB-CD1 3.71Å; L219-Y247 HydrophobicContact CB-CE1 3.49Å; L219-Y247 VanDerWaalsContact CB-CE1 3.49Å; L219-Y247 HydrophobicContact CB-CG 4.46Å; L219-Y247 WeakPolarHBondContact O-CB 3.39Å; L219-Y247 WeakPolarHBondContact O-CD1 3.22Å; L219-Y247 WeakPolarHBondContact O-CD2 3.26Å
220	S	28.8	Very low	28.6	Very low	70 Å²	70	126 Å²	126	49%	0.49	69%	0.685	S	S	.	*			trans	29.5	119.5	134.2	-63.1	0	0	0	0	123.2	Y247	S220-Y247 WeakPolarHBondContact O-CE2 3.47Å
221	S	25.7	Very low	28.6	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	69%	0.688	S	S	*	*				85.6	156.9	84.2	79.1	0	0	0	0	115.5
222	T	30	Very low	28.7	Very low	132 Å²	132	130 Å²	130	81%	0.81	70%	0.697	S	S	*	*			cis	-151.4	170	21.2	35.3	0	0	0	0	113.4
223	T	24.4	Very low	28.7	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	70%	0.699	S	S	*	*			trans	-78.3	151.8	172.1	43.7	0	0	0	0	116.5
224	T	29	Very low	28.8	Very low	149 Å²	149	131.3 Å²	131.3	91%	0.914	71%	0.708	S	S	*	*			trans	-165.3	151.1	145.1	20.1	0	0	0	0	112.5
225	T	24.9	Very low	28.9	Very low	139 Å²	139	137.8 Å²	137.8	85%	0.853	73%	0.728	S	S	*	*			trans	-114	131.4	-178.6	37.1	0	0	0	0	113.4
226	I	27.5	Very low	29	Very low	175 Å²	175	141 Å²	141	90%	0.897	75%	0.747	S	S	*	*			trans	-146	153.3	161.9	-62.9	-171.3	0	0	0	109.6
227	T	27.7	Very low	29	Very low	94 Å²	94	148.9 Å²	148.9	58%	0.577	77%	0.767	S	S	*	*			trans	-112.8	177.6	-172.1	51.9	0	0	0	0	114.8
228	R	27.2	Very low	29.2	Very low	213 Å²	213	150.7 Å²	150.7	80%	0.804	77%	0.772	S	S	*	*			trans	100.3	99.4	162.9	-61.1	-177.2	168	-175.8	-3.3	120.5
229	K	25.9	Very low	29	Very low	163 Å²	163	153.1 Å²	153.1	71%	0.709	78%	0.781	S	S	*	*			trans	30.1	119.5	133.8	-61.4	-176.6	177.9	-175.3	0	120.4
230	K	30.4	Very low	28.7	Very low	210 Å²	210	156.7 Å²	156.7	91%	0.913	80%	0.798	S	S	*	*				-157.5	165.2	125.6	-116.5	176	-177.5	-175.9	0	112.9
231	T	29.6	Very low	28.5	Very low	133 Å²	133	162.2 Å²	162.2	82%	0.816	82%	0.816	S	S	*	*			trans	-90.1	153.6	-155	43.5	0	0	0	0	116.8
232	I	31.7	Very low	28.6	Very low	158 Å²	158	162.5 Å²	162.5	81%	0.81	82%	0.815	S	S	*	*			trans	-44.2	129.8	168.5	-57.5	153.1	0	0	0	113.4
233	H	28.8	Very low	28.3	Very low	169 Å²	169	161 Å²	161	78%	0.782	81%	0.81	S	S	*	*			trans	-166.7	-22.3	138.6	-112.6	60.8	0	0	0	116.1	W235	H233-W235 PolarHBondContact O-N 2.85Å
234	D	30.9	Very low	28.5	Very low	159 Å²	159	161.4 Å²	161.4	85%	0.85	81%	0.812	S	S	*	*	S	Bend	trans	-89.7	2.1	-165.2	-58.7	-44.3	0	0	0	117.1	V236	D234-V236 PolarHBondContact O-N 3.41Å
235	W	30.2	Very low	28.5	Very low	254 Å²	254	161 Å²	161	96%	0.962	81%	0.809	S	S	*	*			trans	-93.8	13.7	-158.3	-149.2	61.7	0	0	0	117.6	H233	H233-W235 PolarHBondContact O-N 2.85Å
236	V	32.1	Very low	28.5	Very low	131 Å²	131	157.5 Å²	157.5	79%	0.794	80%	0.8	S	S	*	*	S	Bend	trans	-109.3	-21.8	-170.6	179.2	0	0	0	0	114.5	D234	D234-V236 PolarHBondContact O-N 3.41Å
237	R	28.9	Very low	28.5	Very low	226 Å²	226	155.9 Å²	155.9	85%	0.853	78%	0.784	S	S	*	*	S	Bend	trans	-150.5	90.3	179.9	-62	-175	-166.7	168.5	5.6	112.9
238	E	32.2	Very low	28.5	Very low	176 Å²	176	157.4 Å²	157.4	82%	0.822	79%	0.788	S	S	*	*			trans	176.9	138	131	-101.8	178.1	-157.2	0	0	112.5
239	N	30	Very low	28.4	Very low	122 Å²	122	150.2 Å²	150.2	65%	0.652	77%	0.77	S	S	*	*			trans	55	100.7	147.3	-55.1	-38	0	0	0	120.7
240	M	27.8	Very low	28.5	Very low	180 Å²	180	145.2 Å²	145.2	89%	0.887	75%	0.754	S	S	*	*				49.4	140	121.4	-60.5	-176.7	179.1	0	0	122
241	E	24.3	Very low	28.3	Very low	186 Å²	186	140.6 Å²	140.6	87%	0.869	74%	0.743	S	S	*	*			trans	-8.4	139	155.5	-68.1	-167.4	166.7	0	0	118.3
242	P	26.8	Very low	28.1	Very low	114 Å²	114	140.2 Å²	140.2	74%	0.74	73%	0.73	S	S	*	*				-155.9	146.6	75.2	42.3	-22.4	0	0	0	120.7
243	S	25	Very low	27.9	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	73%	0.727	S	S	*	*				54.1	121.5	129.7	79	0	0	0	0	125.5
244	V	27.4	Very low	27.7	Very low	138 Å²	138	139.5 Å²	139.5	84%	0.836	73%	0.733	S	S	*	*				64.1	141.3	117.5	-177.4	0	0	0	0	122.4
245	V	28.9	Very low	27.4	Very low	141 Å²	141	134.7 Å²	134.7	86%	0.855	72%	0.72	S	S	*	*			trans	130.3	128.6	152.9	170.8	0	0	0	0	108
246	G	25.9	Very low	27.2	Very low	64 Å²	64	131.1 Å²	131.1	66%	0.66	71%	0.714	S	S	*	*			cis	176.9	165.7	6.5	0	0	0	0	0	105.7
247	Y	27.5	Very low	27	Very low	142 Å²	142	130.4 Å²	130.4	56%	0.557	71%	0.705	S	S	*	*			cis	-143	139.6	31.6	-79.6	-112	0	0	0	109.6	L219 S220	L219-Y247 HydrophobicContact CB-CD1 3.71Å; L219-Y247 HydrophobicContact CB-CE1 3.49Å; L219-Y247 VanDerWaalsContact CB-CE1 3.49Å; L219-Y247 HydrophobicContact CB-CG 4.46Å; L219-Y247 WeakPolarHBondContact O-CB 3.39Å; L219-Y247 WeakPolarHBondContact O-CD1 3.22Å; L219-Y247 WeakPolarHBondContact O-CD2 3.26Å; S220-Y247 WeakPolarHBondContact O-CE2 3.47Å
248	N	26.3	Very low	26.9	Very low	125 Å²	125	129.6 Å²	129.6	67%	0.668	70%	0.702	S	S	*	*				55.4	142.7	79.3	-81.4	-10	0	0	0	115.5	P218	P218-N248 WeakPolarHBondContact CA-O 3.34Å; P218-N248 WeakPolarHBondContact CB-O 3.38Å
249	S	25.5	Very low	26.7	Very low	62 Å²	62	127.2 Å²	127.2	43%	0.434	70%	0.695	S	S	.	*			cis	-175.1	-174	-6.6	44	0	0	0	0	107.9	L217	L217-S249 CarbonylContact C-O 3.56Å; L217-S249 VanDerWaalsContact C-O 3.31Å; L217-S249 CarbonylContact O-C 3.6Å; L217-S249 PolarHBondContact O-OG 3.24Å
250	V	28.2	Very low	26.6	Very low	59 Å²	59	126.6 Å²	126.6	36%	0.358	70%	0.7	S	S	.	*			cis	-150.3	144.4	9.1	162.5	0	0	0	0	105.3	S216	S216-V250 WeakPolarHBondContact O-CB 3.47Å; S216-V250 WeakPolarHBondContact O-CG2 3.33Å
251	V	26.7	Very low	26.5	Very low	113 Å²	113	121.5 Å²	121.5	69%	0.685	69%	0.687	S	S	*	*			cis	93.5	81.8	22.5	-175.6	0	0	0	0	116.5
252	K	25.5	Very low	26.6	Very low	125 Å²	125	119.8 Å²	119.8	54%	0.543	68%	0.683	S	S	.	*			trans	-157	135.6	150.1	-95.8	-179.2	-151.8	153	0	109.8	Q214 T215	Q214-K252 VanDerWaalsContact OE1-NZ 3.13Å; T215-K252 WeakPolarHBondContact OG1-CD 3.45Å; T215-K252 WeakPolarHBondContact OG1-CE 3.19Å; T215-K252 PolarHBondContact OG1-NZ 3.18Å
253	L	26.8	Very low	26.7	Very low	143 Å²	143	119.4 Å²	119.4	75%	0.749	68%	0.675	S	S	*	*			cis	79.4	87.4	30.7	-62.4	172.8	0	0	0	115.9
254	D	24.6	Very low	26.8	Very low	169 Å²	169	121.8 Å²	121.8	90%	0.904	68%	0.675	S	S	*	*				-173.9	149.1	121.7	-102.2	-31.9	0	0	0	108.4
255	G	25.1	Very low	26.9	Very low	57 Å²	57	123.7 Å²	123.7	59%	0.588	68%	0.677	S	S	*	*			cis	167.1	173	-5.8	0	0	0	0	0	110.3
256	Q	25.8	Very low	27.2	Very low	179 Å²	179	122.8 Å²	122.8	84%	0.836	67%	0.671	S	S	*	*			trans	68.8	138.7	160.2	-65.5	-174.2	25	0	0	117.8
257	L	28.2	Very low	27.3	Very low	117 Å²	117	125.4 Å²	125.4	61%	0.613	68%	0.677	S	S	*	*			cis	-157.4	138.1	2.4	-96.5	146.6	0	0	0	110.4
258	R	27.3	Very low	27.3	Very low	209 Å²	209	125.8 Å²	125.8	79%	0.789	69%	0.687	S	S	*	*			trans	66.1	149	144.6	-63.9	-176.3	178.1	168.4	1.1	119.1
259	N	27.4	Very low	27.4	Very low	125 Å²	125	125.6 Å²	125.6	67%	0.668	70%	0.696	S	S	*	*			cis	-158.8	148.1	-1.5	-120.8	5.2	0	0	0	111.8
260	S	27.6	Very low	27.5	Very low	109 Å²	109	129 Å²	129	76%	0.762	72%	0.716	S	S	*	*			trans	65.9	143.2	146.2	-62.3	0	0	0	0	119.8
261	A	26.4	Very low	27.4	Very low	74 Å²	74	129.4 Å²	129.4	61%	0.612	73%	0.733	S	S	*	*			cis	-168.4	137.9	-5.1	0	0	0	0	0	112.8
262	L	26.5	Very low	27.3	Very low	150 Å²	150	128.7 Å²	128.7	79%	0.785	73%	0.733	S	S	*	*			trans	61.4	140	155.6	-73.9	76.8	0	0	0	117.1
263	N	27.3	Very low	27.4	Very low	106 Å²	106	129.8 Å²	129.8	57%	0.567	75%	0.745	S	S	*	*			cis	-156.1	142.1	7.1	-122.7	0.1	0	0	0	112.9
264	Q	28	Very low	27.3	Very low	151 Å²	151	127.2 Å²	127.2	71%	0.706	74%	0.735	S	S	*	*			trans	49.9	128.6	133.5	-64.9	164	-0.2	0	0	119.7
265	M	29.7	Very low	27.4	Very low	177 Å²	177	124.7 Å²	124.7	87%	0.872	73%	0.725	S	S	*	*			cis	-150	162.9	10.3	-104.4	167	175.5	0	0	111.4
266	V	33.9	Very low	27.5	Very low	122 Å²	122	125.6 Å²	125.6	74%	0.739	72%	0.716	S	S	*	*			trans	-140.2	146.4	179.6	-158.3	0	0	0	0	109	L268	V266-L268 HydrophobicContact CG1-CG 4.32Å
267	P	29.4	Very low	27.6	Very low	120 Å²	120	123 Å²	123	78%	0.779	70%	0.704	S	S	*	*				-142.6	127.2	113.9	32.9	-16.8	0	0	0	112.8
268	L	28	Very low	27.8	Very low	149 Å²	149	123.6 Å²	123.6	78%	0.78	70%	0.698	S	S	*	*				76.4	93.8	69.2	-75.3	160.7	0	0	0	114.9	V266	V266-L268 HydrophobicContact CG1-CG 4.32Å
269	S	27.3	Very low	28	Very low	121 Å²	121	119.5 Å²	119.5	85%	0.846	69%	0.686	S	S	*	*			trans	-158.7	159.3	149	-86.3	0	0	0	0	110.9
270	P	27.6	Very low	28.6	Very low	133 Å²	133	117 Å²	117	86%	0.864	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-99.6	126.6	-151.3	35.1	-33.1	0	0	0	115.7
271	G	25.9	Very low	29.2	Very low	69 Å²	69	116.8 Å²	116.8	71%	0.711	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-103.7	148.6	166.3	0	0	0	0	0	112.7
272	S	25.9	Very low	30.2	Very low	98 Å²	98	113.3 Å²	113.3	69%	0.685	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-82.2	119.8	-179.4	45.7	0	0	0	0	112.5	V274	S272-V274 PolarHBondContact O-N 3.43Å
273	N	25.7	Very low	31.1	Very low	148 Å²	148	109.1 Å²	109.1	79%	0.791	61%	0.607	S	S	*	*			trans	-74.1	88.3	174.9	-75	-21.9	0	0	0	111.5
274	V	25.8	Very low	32.1	Very low	89 Å²	89	104.5 Å²	104.5	54%	0.539	58%	0.582	S	S	.	*			trans	-89.7	119.3	166	-177.4	0	0	0	0	109	S272 I276	S272-V274 PolarHBondContact O-N 3.43Å; V274-I276 HydrophobicContact CG1-CG1 4.28Å
275	V	27	Very low	33	Very low	115 Å²	115	98.7 Å²	98.7	70%	0.697	56%	0.557	S	S	*	*			trans	-88.1	115.2	175.5	179.8	0	0	0	0	108.9
276	I	26	Very low	33.9	Very low	76 Å²	76	92 Å²	92	39%	0.39	53%	0.525	S	S	.	.			trans	-102	123.1	174.8	-64.8	171.7	0	0	0	108.1	D180 V274 R278	D180-I276 WeakPolarHBondContact OD1-CG2 3.39Å; V274-I276 HydrophobicContact CG1-CG1 4.28Å; I276-R278 PolarHBondContact O-N 3.27Å
277	H	28	Very low	34.3	Very low	125 Å²	125	92.6 Å²	92.6	58%	0.579	53%	0.532	S	S	*	.			trans	-78.8	117	-176.9	-67.1	-100.7	0	0	0	110.9	E297	H277-E297 IonicContact CE1-OE1 2.73Å; H277-E297 IonicContact CG-OE1 2.7Å; H277-E297 IonicContact ND1-OE1 3.4Å; H277-E297 PolarHBondContact ND1-OE1 2.81Å
278	R	32.2	Very low	34.7	Very low	129 Å²	129	90.9 Å²	90.9	49%	0.487	52%	0.516	S	S	.	.			trans	-130.9	139.1	165.1	-69.7	-171.1	176.5	-165.8	-1.8	110.4	D180 I276 Y309	D180-R278 IonicContact OD2-CZ 2.73Å; D180-R278 IonicContact OD2-NE 2.96Å; D180-R278 PolarHBondContact OD2-NE 3.3Å; D180-R278 IonicContact OD2-NH2 3.59Å; D180-R278 PolarHBondContact OD2-NH2 3.36Å; I276-R278 PolarHBondContact O-N 3.27Å; R278-Y309 PolarHBondContact NH1-OH 2.84Å
279	F	31.4	Very low	35	Very low	123 Å²	123	86.4 Å²	86.4	54%	0.539	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-98.4	137.3	-174.5	-49	-86.3	0	0	0	110.4	K281 E297	F279-K281 PolarHBondContact O-N 2.93Å; F279-E297 HydrophobicContact CD1-CG 4.04Å; F279-E297 HydrophobicContact CE1-CG 4.22Å
280	N	41.1	Very low	35.4	Very low	73 Å²	73	82.2 Å²	82.2	39%	0.39	48%	0.475	S	S	.	.			trans	-55.1	119.8	157.6	-75.1	-41.7	0	0	0	107.7	T282 G295 S296	N280-T282 VanDerWaalsContact C-N 3.34Å; N280-T282 PolarHBondContact O-N 3.49Å; N280-G295 WeakPolarHBondContact O-CA 3.13Å; N280-G295 PolarHBondContact O-N 3.38Å; N280-S296 VanDerWaalsContact CB-O 3.27Å; N280-S296 WeakPolarHBondContact CB-O 3.38Å; N280-S296 PolarHBondContact N-O 2.82Å; N280-S296 PolarHBondContact ND2-O 2.71Å; N280-S296 PolarHBondContact ND2-OG 2.75Å; N280-S296 VanDerWaalsContact ND2-OG 3.09Å
281	K	40.8	Very low	35.8	Very low	104 Å²	104	79.7 Å²	79.7	45%	0.452	46%	0.46	S	S	.	.			trans	-84.4	75	-170.8	-70.4	-163.9	168	-177.8	0	111.5	F279 I283 V293 L466	F279-K281 PolarHBondContact O-N 2.93Å; K281-I283 PolarHBondContact O-N 3.5Å; K281-V293 HydrophobicContact CB-CG1 3.68Å; K281-V293 HydrophobicContact CD-CG1 3.81Å; K281-V293 HydrophobicContact CG-CG1 3.49Å; K281-V293 VanDerWaalsContact CG-CG1 3.49Å; K281-L466 HydrophobicContact CB-CD1 3.9Å; K281-L466 HydrophobicContact CD-CD1 4.07Å; K281-L466 HydrophobicContact CD-CD2 4.43Å
282	T	47.6	Very low	36.6	Very low	1 Å²	1	78.3 Å²	78.3	1%	0.006	44%	0.44	C	S	.	.			trans	-60	103.1	160.6	-51.5	0	0	0	0	108.2	N280 T284 V293 G294 G295 L383 H410 Q411	N280-T282 VanDerWaalsContact C-N 3.34Å; N280-T282 PolarHBondContact O-N 3.49Å; T282-T284 VanDerWaalsContact C-N 3.33Å; T282-T284 HydrophobicContact CG2-CG2 4.23Å; T282-T284 PolarHBondContact O-N 3Å; T282-T284 VanDerWaalsContact O-N 3.1Å; T282-V293 WeakPolarHBondContact O-CA 3.41Å; T282-G294 WeakPolarHBondContact CB-O 3.13Å; T282-G294 PolarHBondContact O-N 2.93Å; T282-G295 VanDerWaalsContact OG1-CA 3.29Å; T282-G295 WeakPolarHBondContact OG1-CA 3.36Å; T282-L383 HydrophobicContact CG2-CD1 4.48Å; T282-L383 HydrophobicContact CG2-CD2 4.36Å; T282-H410 HydrophobicContact CG2-CB 4.17Å; T282-H410 PolarHBondContact OG1-CD2 2.85Å; T282-H410 VanDerWaalsContact OG1-CD2 3.24Å; T282-Q411 PolarHBondContact OG1-NE2 3.25Å
283	I	44.5	Very low	37.3	Very low	63 Å²	63	77.3 Å²	77.3	32%	0.323	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	83.3	176	-53.3	-177.6	0	0	0	108.1	K281 T285 S292 Q386 L466	K281-I283 PolarHBondContact O-N 3.5Å; I283-T285 PolarHBondContact O-N 2.86Å; I283-T285 VanDerWaalsContact O-N 3.1Å; I283-S292 CarbonylContact C-O 3.54Å; I283-S292 WeakPolarHBondContact CA-O 3.42Å; I283-Q386 PolarHBondContact O-OE1 3.31Å; I283-L466 HydrophobicContact CD1-CD1 4.19Å
284	T	48.8	Very low	38	Very low	8 Å²	8	70.9 Å²	70.9	5%	0.049	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	99.2	169	25.1	0	0	0	0	109.4	T282 N286 S292 A382 L383	T282-T284 VanDerWaalsContact C-N 3.33Å; T282-T284 HydrophobicContact CG2-CG2 4.23Å; T282-T284 PolarHBondContact O-N 3Å; T282-T284 VanDerWaalsContact O-N 3.1Å; T284-N286 PolarHBondContact O-N 2.86Å; T284-N286 VanDerWaalsContact O-N 3.07Å; T284-N286 PolarHBondContact O-OD1 3.48Å; T284-S292 WeakPolarHBondContact CB-OG 3.43Å; T284-S292 PolarHBondContact N-O 2.74Å; T284-S292 PolarHBondContact O-N 3.36Å; T284-S292 PolarHBondContact O-OG 3.17Å; T284-S292 PolarHBondContact OG1-O 2.76Å; T284-S292 VanDerWaalsContact OG1-O 3.12Å; T284-S292 PolarHBondContact OG1-OG 3.47Å; T284-A382 HydrophobicContact CG2-CB 4Å; T284-L383 HydrophobicContact CG2-CD2 3.89Å; T284-L383 HydrophobicContact CG2-CG 3.95Å
285	T	45.8	Very low	38.8	Very low	29 Å²	29	67 Å²	67	18%	0.178	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	104	164.6	-34.9	0	0	0	0	108	I283 T290 Q386 R390	I283-T285 PolarHBondContact O-N 2.86Å; I283-T285 VanDerWaalsContact O-N 3.1Å; T285-T290 CarbonylContact C-O 3.44Å; T285-T290 WeakPolarHBondContact CA-O 3.37Å; T285-Q386 WeakPolarHBondContact O-CG 3.32Å; T285-Q386 PolarHBondContact O-NE2 2.71Å; T285-Q386 PolarHBondContact OG1-OE1 3.42Å; T285-R390 PolarHBondContact OG1-NH2 3.45Å
286	N	48.5	Very low	39.6	Very low	36 Å²	36	62 Å²	62	19%	0.193	35%	0.347	C	S	.	.			trans	-63	160.5	174.9	-68	-14.1	0	0	0	110.3	T284 D288 G289 T290 S292	T284-N286 PolarHBondContact O-N 2.86Å; T284-N286 VanDerWaalsContact O-N 3.07Å; T284-N286 PolarHBondContact O-OD1 3.48Å; N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 WeakPolarHBondContact CB-OD1 3.41Å; N286-D288 WeakPolarHBondContact CB-OD2 3.27Å; N286-D288 PolarHBondContact O-N 3.1Å; N286-G289 WeakPolarHBondContact O-CA 3.21Å; N286-G289 PolarHBondContact O-N 2.91Å; N286-T290 WeakPolarHBondContact CB-O 3.32Å; N286-T290 PolarHBondContact N-O 3.39Å; N286-T290 PolarHBondContact ND2-OG1 2.97Å; N286-T290 VanDerWaalsContact ND2-OG1 3.07Å; N286-S292 PolarHBondContact OD1-OG 3.46Å
287	P	42.3	Very low	40.1	Very low	136 Å²	136	61.3 Å²	61.3	88%	0.883	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.4	-176.1	27.4	-35.5	0	0	0	114.4	G289	P287-G289 PolarHBondContact O-N 3.31Å
288	D	38.9	Very low	40.5	Very low	83 Å²	83	62.5 Å²	62.5	44%	0.444	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15	167.4	44.3	46.5	0	0	0	113.6	N286 T290	N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 WeakPolarHBondContact CB-OD1 3.41Å; N286-D288 WeakPolarHBondContact CB-OD2 3.27Å; N286-D288 PolarHBondContact O-N 3.1Å; D288-T290 HydrophobicContact CB-CG2 4.36Å; D288-T290 WeakPolarHBondContact OD1-CB 2.98Å; D288-T290 WeakPolarHBondContact OD1-CG2 3.17Å; D288-T290 PolarHBondContact OD1-N 2.95Å; D288-T290 PolarHBondContact OD1-OG1 2.93Å; D288-T290 VanDerWaalsContact OD1-OG1 3.08Å
289	G	33.7	Very low	41	Very low	55 Å²	55	62.3 Å²	62.3	57%	0.567	35%	0.346	S	S	*	.	S	Bend	trans	96.5	-0.8	-177.3	0	0	0	0	0	114.3	N286 P287	N286-G289 WeakPolarHBondContact O-CA 3.21Å; N286-G289 PolarHBondContact O-N 2.91Å; P287-G289 PolarHBondContact O-N 3.31Å
290	T	35.9	Very low	41.3	Very low	34 Å²	34	60.2 Å²	60.2	21%	0.209	34%	0.338	C	S	.	.			trans	-82.1	143	-178.6	81.2	0	0	0	0	111.1	T285 N286 D288 S292 E2003	T285-T290 CarbonylContact C-O 3.44Å; T285-T290 WeakPolarHBondContact CA-O 3.37Å; N286-T290 WeakPolarHBondContact CB-O 3.32Å; N286-T290 PolarHBondContact N-O 3.39Å; N286-T290 PolarHBondContact ND2-OG1 2.97Å; N286-T290 VanDerWaalsContact ND2-OG1 3.07Å; D288-T290 HydrophobicContact CB-CG2 4.36Å; D288-T290 WeakPolarHBondContact OD1-CB 2.98Å; D288-T290 WeakPolarHBondContact OD1-CG2 3.17Å; D288-T290 PolarHBondContact OD1-N 2.95Å; D288-T290 PolarHBondContact OD1-OG1 2.93Å; D288-T290 VanDerWaalsContact OD1-OG1 3.08Å; T290-S292 PolarHBondContact O-N 2.8Å; T290-E2003 WeakPolarHBondContact CB-OE2 3.29Å; T290-E2003 WeakPolarHBondContact CG2-OE1 3.32Å; T290-E2003 WeakPolarHBondContact CG2-OE2 3.46Å; T290-E2003 PolarHBondContact OG1-OE2 3.01Å
291	S	36.4	Very low	41	Very low	79 Å²	79	65.4 Å²	65.4	55%	0.552	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	80.9	-174.7	51.7	0	0	0	0	110.4
292	S	41.6	Very low	40.7	Very low	40 Å²	40	66.2 Å²	66.2	28%	0.28	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	142.4	172.9	68.4	0	0	0	0	110.5	I283 T284 N286 T290	I283-S292 CarbonylContact C-O 3.54Å; I283-S292 WeakPolarHBondContact CA-O 3.42Å; T284-S292 WeakPolarHBondContact CB-OG 3.43Å; T284-S292 PolarHBondContact N-O 2.74Å; T284-S292 PolarHBondContact O-N 3.36Å; T284-S292 PolarHBondContact O-OG 3.17Å; T284-S292 PolarHBondContact OG1-O 2.76Å; T284-S292 VanDerWaalsContact OG1-O 3.12Å; T284-S292 PolarHBondContact OG1-OG 3.47Å; N286-S292 PolarHBondContact OD1-OG 3.46Å; T290-S292 PolarHBondContact O-N 2.8Å
293	V	40.9	Very low	40.2	Very low	77 Å²	77	70.9 Å²	70.9	47%	0.467	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	110.9	-172.3	177.9	0	0	0	0	109.7	K281 T282	K281-V293 HydrophobicContact CB-CG1 3.68Å; K281-V293 HydrophobicContact CD-CG1 3.81Å; K281-V293 HydrophobicContact CG-CG1 3.49Å; K281-V293 VanDerWaalsContact CG-CG1 3.49Å; T282-V293 WeakPolarHBondContact O-CA 3.41Å
294	G	40.6	Very low	39.6	Very low	14 Å²	14	75.4 Å²	75.4	14%	0.144	40%	0.398	C	S	.	.			trans	-165.7	94.8	-176.1	0	0	0	0	0	116.5	T282 R379	T282-G294 WeakPolarHBondContact CB-O 3.13Å; T282-G294 PolarHBondContact O-N 2.93Å; G294-R379 VanDerWaalsContact C-NH2 3.28Å; G294-R379 PolarHBondContact O-NE 3.4Å; G294-R379 PolarHBondContact O-NH2 2.78Å
295	G	42.4	Very low	38.6	Very low	6 Å²	6	78.3 Å²	78.3	6%	0.062	43%	0.43	C	S	.	.			trans	-120.5	-160.1	167.7	0	0	0	0	0	113.1	N280 T282	N280-G295 WeakPolarHBondContact O-CA 3.13Å; N280-G295 PolarHBondContact O-N 3.38Å; T282-G295 VanDerWaalsContact OG1-CA 3.29Å; T282-G295 WeakPolarHBondContact OG1-CA 3.36Å
296	S	43.3	Very low	37.7	Very low	12 Å²	12	81.8 Å²	81.8	8%	0.084	44%	0.443	C	S	.	.			trans	-78.7	153	-177.8	46.1	0	0	0	0	113.7	N280 Q411	N280-S296 VanDerWaalsContact CB-O 3.27Å; N280-S296 WeakPolarHBondContact CB-O 3.38Å; N280-S296 PolarHBondContact N-O 2.82Å; N280-S296 PolarHBondContact ND2-O 2.71Å; N280-S296 PolarHBondContact ND2-OG 2.75Å; N280-S296 VanDerWaalsContact ND2-OG 3.09Å; S296-Q411 WeakPolarHBondContact CB-O 3.23Å; S296-Q411 PolarHBondContact OG-O 3.08Å
297	E	37.5	Very low	36.9	Very low	60 Å²	60	83.3 Å²	83.3	28%	0.28	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-80.2	-179.3	172.4	-60	169	113.9	0	0	111.1	H277 F279	H277-E297 IonicContact CE1-OE1 2.73Å; H277-E297 IonicContact CG-OE1 2.7Å; H277-E297 IonicContact ND1-OE1 3.4Å; H277-E297 PolarHBondContact ND1-OE1 2.81Å; F279-E297 HydrophobicContact CD1-CG 4.04Å; F279-E297 HydrophobicContact CE1-CG 4.22Å
298	W	36.5	Very low	36.6	Very low	150 Å²	150	79.6 Å²	79.6	57%	0.568	43%	0.425	S	S	*	.			trans	86	98.8	168.8	-62.8	80.3	0	0	0	119.5	P321	W298-P321 HydrophobicContact CD2-CG 3.53Å; W298-P321 VanDerWaalsContact CE2-CG 3.45Å; W298-P321 HydrophobicContact CE3-CG 3.6Å; W298-P321 HydrophobicContact CG-CG 4.27Å; W298-P321 HydrophobicContact CH2-CB 4.04Å; W298-P321 HydrophobicContact CH2-CG 3.57Å; W298-P321 HydrophobicContact CZ2-CB 3.87Å; W298-P321 HydrophobicContact CZ2-CG 3.49Å; W298-P321 VanDerWaalsContact CZ2-CG 3.49Å; W298-P321 HydrophobicContact CZ3-CG 3.62Å
299	Q	43	Very low	36.5	Very low	126 Å²	126	80 Å²	80	59%	0.589	42%	0.421	S	S	*	.				169.9	118.8	108.7	-93	154.3	93.6	0	0	113.6	S318	Q299-S318 VanDerWaalsContact CD-OG 3.27Å; Q299-S318 PolarHBondContact OE1-OG 2.78Å
300	Q	37	Very low	36.9	Very low	79 Å²	79	82.4 Å²	82.4	37%	0.369	42%	0.421	S	S	.	.			trans	-145.5	154.4	159	-68.1	-174.9	8.6	0	0	108.4	L307 Y309	Q300-L307 HydrophobicContact CB-CD1 4.48Å; Q300-Y309 PolarHBondContact NE2-OH 3.25Å
301	R	34.1	Very low	37	Very low	181 Å²	181	86.1 Å²	86.1	68%	0.683	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.7	-171.4	-152	178.1	-166.9	179.4	3	110	Q303 V308	R301-Q303 PolarHBondContact O-N 3.17Å; R301-V308 PolarHBondContact N-O 3.15Å; R301-V308 WeakPolarHBondContact O-CA 2.99Å; R301-V308 VanDerWaalsContact O-CB 3.31Å; R301-V308 WeakPolarHBondContact O-CB 3.36Å; R301-V308 PolarHBondContact O-N 2.77Å; R301-V308 VanDerWaalsContact O-O 3.11Å
302	W	36.3	Very low	37.2	Very low	121 Å²	121	89.7 Å²	89.7	46%	0.458	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.3	168.5	-73.2	95.4	0	0	0	109.1	G305 K306 L307	W302-G305 WeakPolarHBondContact CZ3-O 3.24Å; W302-K306 WeakPolarHBondContact CA-O 3.36Å; W302-L307 HydrophobicContact CD2-CD1 4.22Å; W302-L307 HydrophobicContact CE3-CB 4.35Å; W302-L307 HydrophobicContact CH2-CB 4.08Å; W302-L307 HydrophobicContact CH2-CD1 4.34Å; W302-L307 HydrophobicContact CZ2-CB 4.34Å; W302-L307 HydrophobicContact CZ2-CD1 3.74Å; W302-L307 HydrophobicContact CZ3-CB 4.09Å
303	Q	37.1	Very low	37.4	Very low	99 Å²	99	92.5 Å²	92.5	46%	0.463	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	127.8	176.9	-163.3	167.5	-11.6	0	0	107.9	R301 G305 K306 V308	R301-Q303 PolarHBondContact O-N 3.17Å; Q303-G305 PolarHBondContact O-N 3.4Å; Q303-G305 VanDerWaalsContact O-N 3.13Å; Q303-K306 PolarHBondContact N-O 3.34Å; Q303-K306 PolarHBondContact O-N 2.83Å; Q303-K306 VanDerWaalsContact O-O 3.14Å; Q303-V308 HydrophobicContact CB-CB 4.45Å; Q303-V308 HydrophobicContact CB-CG2 3.84Å
304	D	31.9	Very low	37.4	Very low	158 Å²	158	92 Å²	92	85%	0.845	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	39	179.6	-48.5	-33.6	0	0	0	114.3	K306	D304-K306 PolarHBondContact O-N 3.01Å
305	G	27.2	Very low	37.3	Very low	69 Å²	69	93 Å²	93	71%	0.711	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-3.4	-179.6	0	0	0	0	0	115.3	W302 Q303	W302-G305 WeakPolarHBondContact CZ3-O 3.24Å; Q303-G305 PolarHBondContact O-N 3.4Å; Q303-G305 VanDerWaalsContact O-N 3.13Å
306	K	27.6	Very low	37.2	Very low	103 Å²	103	93.9 Å²	93.9	45%	0.448	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	148.2	171.3	-74.4	-167.6	171.1	-173.3	0	111.6	W302 Q303 D304 V308 D489	W302-K306 WeakPolarHBondContact CA-O 3.36Å; Q303-K306 PolarHBondContact N-O 3.34Å; Q303-K306 PolarHBondContact O-N 2.83Å; Q303-K306 VanDerWaalsContact O-O 3.14Å; D304-K306 PolarHBondContact O-N 3.01Å; K306-V308 PolarHBondContact O-N 3.24Å; K306-V308 VanDerWaalsContact O-N 3.16Å; K306-D489 IonicContact NZ-OD2 3.26Å; K306-D489 PolarHBondContact NZ-OD2 2.84Å
307	L	31.6	Very low	36.9	Very low	67 Å²	67	101 Å²	101	35%	0.351	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	87.6	173.4	-177.4	74.7	0	0	0	109	Q300 W302 Y309	Q300-L307 HydrophobicContact CB-CD1 4.48Å; W302-L307 HydrophobicContact CD2-CD1 4.22Å; W302-L307 HydrophobicContact CE3-CB 4.35Å; W302-L307 HydrophobicContact CH2-CB 4.08Å; W302-L307 HydrophobicContact CH2-CD1 4.34Å; W302-L307 HydrophobicContact CZ2-CB 4.34Å; W302-L307 HydrophobicContact CZ2-CD1 3.74Å; W302-L307 HydrophobicContact CZ3-CB 4.09Å; L307-Y309 HydrophobicContact CD2-CE2 3.98Å; L307-Y309 HydrophobicContact CG-CE2 4.33Å; L307-Y309 PolarHBondContact O-N 3.19Å
308	V	35	Very low	36.9	Very low	59 Å²	59	101.2 Å²	101.2	36%	0.358	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.2	-177.7	-176.7	0	0	0	0	110.1	R301 Q303 K306	R301-V308 PolarHBondContact N-O 3.15Å; R301-V308 WeakPolarHBondContact O-CA 2.99Å; R301-V308 VanDerWaalsContact O-CB 3.31Å; R301-V308 WeakPolarHBondContact O-CB 3.36Å; R301-V308 PolarHBondContact O-N 2.77Å; R301-V308 VanDerWaalsContact O-O 3.11Å; Q303-V308 HydrophobicContact CB-CB 4.45Å; Q303-V308 HydrophobicContact CB-CG2 3.84Å; K306-V308 PolarHBondContact O-N 3.24Å; K306-V308 VanDerWaalsContact O-N 3.16Å
309	Y	36.7	Very low	37.3	Very low	91 Å²	91	100.4 Å²	100.4	36%	0.357	51%	0.512	S	S	.	.			trans	-74.4	132.3	164.3	-75.2	-118.8	0	0	0	108.4	R278 Q300 L307 H311	R278-Y309 PolarHBondContact NH1-OH 2.84Å; Q300-Y309 PolarHBondContact NE2-OH 3.25Å; L307-Y309 HydrophobicContact CD2-CE2 3.98Å; L307-Y309 HydrophobicContact CG-CE2 4.33Å; L307-Y309 PolarHBondContact O-N 3.19Å; Y309-H311 VanDerWaalsContact CB-CE1 3.43Å; Y309-H311 WeakPolarHBondContact CB-CE1 3.04Å; Y309-H311 WeakPolarHBondContact CB-ND1 3.01Å; Y309-H311 AromaticContact CD1-CE1 3.73Å; Y309-H311 AromaticContact CG-CE1 3.73Å; Y309-H311 PolarHBondContact O-N 3.35Å
310	D	43.1	Very low	37.4	Very low	105 Å²	105	97.9 Å²	97.9	56%	0.561	50%	0.502	S	S	*	.			trans	-79.4	79.2	166.6	-159.6	-35.9	0	0	0	109.3	Q312 Q313	D310-Q312 PolarHBondContact O-N 2.85Å; D310-Q312 PolarHBondContact OD1-N 3.2Å; D310-Q313 PolarHBondContact OD1-N 2.88Å
311	H	37.3	Very low	38.1	Very low	113 Å²	113	95.5 Å²	95.5	52%	0.523	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-8.1	178.5	-75.1	-21.8	0	0	0	113.3	Y309 K492	Y309-H311 VanDerWaalsContact CB-CE1 3.43Å; Y309-H311 WeakPolarHBondContact CB-CE1 3.04Å; Y309-H311 WeakPolarHBondContact CB-ND1 3.01Å; Y309-H311 AromaticContact CD1-CE1 3.73Å; Y309-H311 AromaticContact CG-CE1 3.73Å; Y309-H311 PolarHBondContact O-N 3.35Å; H311-K492 PolarHBondContact NE2-NZ 2.82Å
312	Q	40.8	Very low	39	Very low	154 Å²	154	95.6 Å²	95.6	72%	0.72	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-25.7	-171.5	-62.8	-169.7	-0.3	0	0	113.7	D310	D310-Q312 PolarHBondContact O-N 2.85Å; D310-Q312 PolarHBondContact OD1-N 3.2Å
313	Q	45.5	Very low	40.1	Very low	99 Å²	99	95.2 Å²	95.2	46%	0.463	50%	0.501	S	S	.	.			trans	-139.2	80.5	178.3	-64	-169.3	14.5	0	0	113.2	D310 F315	D310-Q313 PolarHBondContact OD1-N 2.88Å; Q313-F315 PolarHBondContact O-N 2.77Å; Q313-F315 VanDerWaalsContact O-N 3.12Å
314	P	41.2	Very low	41.4	Very low	67 Å²	67	91.4 Å²	91.4	44%	0.435	48%	0.483	S	S	.	.	S	Bend	trans	-64.7	-12	172.9	26	-33.7	0	0	0	114
315	F	39	Very low	43.1	Very low	34 Å²	34	88.2 Å²	88.2	15%	0.149	46%	0.463	C	S	.	.	S	Bend	trans	-133.3	94.2	172.6	-61.7	-96.2	0	0	0	111	Q313 I409 Y456 F459	Q313-F315 PolarHBondContact O-N 2.77Å; Q313-F315 VanDerWaalsContact O-N 3.12Å; F315-I409 HydrophobicContact CE1-CG2 4.2Å; F315-Y456 HydrophobicContact CB-CE2 4.03Å; F315-Y456 AromaticContact CD2-CD2 3.79Å; F315-Y456 HydrophobicContact CD2-CD2 3.79Å; F315-Y456 AromaticContact CD2-CE2 3.57Å; F315-Y456 HydrophobicContact CD2-CE2 3.57Å; F315-Y456 HydrophobicContact CE2-CD2 4.2Å; F315-Y456 HydrophobicContact CE2-CE2 4.36Å; F315-Y456 HydrophobicContact CG-CD2 4.3Å; F315-Y456 HydrophobicContact CG-CE2 4.08Å; F315-F459 HydrophobicContact CE2-CB 4.03Å; F315-F459 HydrophobicContact CZ-CB 3.8Å; F315-F459 AromaticContact CZ-CD2 3.92Å; F315-F459 HydrophobicContact CZ-CD2 3.92Å; F315-F459 HydrophobicContact CZ-CG 4.11Å
316	G	39.1	Very low	45.3	Very low	24 Å²	24	85.4 Å²	85.4	25%	0.247	43%	0.431	C	S	.	.	S	Bend	trans	137	164.6	160.2	0	0	0	0	0	117.3	S318 T415	G316-S318 PolarHBondContact O-N 3.4Å; G316-T415 VanDerWaalsContact CA-CG2 3.48Å
317	Q	36.5	Very low	47.6	Very low	161 Å²	161	82.7 Å²	82.7	75%	0.752	42%	0.419	S	S	*	.			trans	59.3	39.7	162.3	-53.8	-158.6	16	0	0	119.6
318	S	38	Very low	49.4	Very low	66 Å²	66	81 Å²	81	46%	0.462	41%	0.408	S	S	.	.	S	Bend	trans	-130.6	158.2	146.1	100.2	0	0	0	0	112.4	Q299 G316 I320	Q299-S318 VanDerWaalsContact CD-OG 3.27Å; Q299-S318 PolarHBondContact OE1-OG 2.78Å; G316-S318 PolarHBondContact O-N 3.4Å; S318-I320 PolarHBondContact O-N 2.78Å
319	T	45.3	Very low	51.2	Low	133 Å²	133	80.2 Å²	80.2	82%	0.816	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-68.4	116.6	-166.6	48.1	0	0	0	0	112.1	P321	T319-P321 WeakPolarHBondContact O-CD 3.24Å
320	I	45.7	Very low	53.1	Low	73 Å²	73	75.9 Å²	75.9	37%	0.374	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-53.5	123.7	176.6	-63.2	173.9	0	0	0	109.8	S318 E324 Q325	S318-I320 PolarHBondContact O-N 2.78Å; I320-E324 HydrophobicContact CG2-CB 3.84Å; I320-Q325 HydrophobicContact CG2-CB 4.15Å
321	P	51.2	Low	54.6	Low	29 Å²	29	71.3 Å²	71.3	19%	0.188	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-56.2	143.3	175.4	-23.2	31.4	0	0	0	111.2	W298 T319 D323 E324 Q325	W298-P321 HydrophobicContact CD2-CG 3.53Å; W298-P321 VanDerWaalsContact CE2-CG 3.45Å; W298-P321 HydrophobicContact CE3-CG 3.6Å; W298-P321 HydrophobicContact CG-CG 4.27Å; W298-P321 HydrophobicContact CH2-CB 4.04Å; W298-P321 HydrophobicContact CH2-CG 3.57Å; W298-P321 HydrophobicContact CZ2-CB 3.87Å; W298-P321 HydrophobicContact CZ2-CG 3.49Å; W298-P321 VanDerWaalsContact CZ2-CG 3.49Å; W298-P321 HydrophobicContact CZ3-CG 3.62Å; T319-P321 WeakPolarHBondContact O-CD 3.24Å; P321-D323 PolarHBondContact O-N 3.11Å; P321-E324 HydrophobicContact CB-CB 4.5Å; P321-E324 PolarHBondContact O-N 3.47Å; P321-Q325 PolarHBondContact O-N 2.85Å
322	R	53.3	Low	56.3	Low	182 Å²	182	67.4 Å²	67.4	69%	0.687	34%	0.34	S	S	*	.	H	α-helix	trans	-56	-28.2	-178.9	-157.3	176.9	-173.4	-174.4	-0.1	112.7	Q325 Y362	R322-Q325 PolarHBondContact O-N 3.3Å; R322-Y362 HydrophobicContact CG-CD1 4.45Å
323	D	59.1	Low	57.8	Low	113 Å²	113	64.8 Å²	64.8	60%	0.604	32%	0.324	S	S	*	.	H	α-helix	trans	-85.9	-13.3	-179.2	-47.4	-37	0	0	0	113.6	P321 W326 K327	P321-D323 PolarHBondContact O-N 3.11Å; D323-W326 PolarHBondContact O-NE1 2.93Å; D323-K327 VanDerWaalsContact O-CE 3.26Å; D323-K327 WeakPolarHBondContact O-CE 3.44Å
324	E	65.2	Low	59.1	Low	20 Å²	20	60.1 Å²	60.1	9%	0.093	30%	0.302	C	S	.	.	H	α-helix	trans	-93.9	-26.1	164.2	-85	-63.3	130	0	0	111.6	I320 P321 W326 K327 R328 R331	I320-E324 HydrophobicContact CG2-CB 3.84Å; P321-E324 HydrophobicContact CB-CB 4.5Å; P321-E324 PolarHBondContact O-N 3.47Å; E324-W326 VanDerWaalsContact C-N 3.3Å; E324-W326 PolarHBondContact O-N 3.34Å; E324-K327 WeakPolarHBondContact O-CA 3.15Å; E324-K327 WeakPolarHBondContact O-CB 3.49Å; E324-K327 PolarHBondContact O-N 3.49Å; E324-K327 VanDerWaalsContact OE1-CD 3.31Å; E324-K327 WeakPolarHBondContact OE1-CD 3.4Å; E324-K327 WeakPolarHBondContact OE1-CE 3.21Å; E324-K327 IonicContact OE1-NZ 3.55Å; E324-K327 PolarHBondContact OE1-NZ 3.31Å; E324-R328 PolarHBondContact O-N 3.31Å; E324-R331 IonicContact OE2-NH1 3.26Å; E324-R331 PolarHBondContact OE2-NH1 2.88Å; E324-R331 VanDerWaalsContact OE2-NH1 3.11Å
325	Q	66.5	Low	60.6	Low	90 Å²	90	57 Å²	57	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-39.1	-172.4	-168.4	177.5	12.1	0	0	112.9	I320 P321 R322 E329 Y362	I320-Q325 HydrophobicContact CG2-CB 4.15Å; P321-Q325 PolarHBondContact O-N 2.85Å; R322-Q325 PolarHBondContact O-N 3.3Å; Q325-E329 PolarHBondContact O-N 2.81Å; Q325-E329 VanDerWaalsContact O-N 3.09Å; Q325-Y362 HydrophobicContact CB-CE1 4.04Å; Q325-Y362 HydrophobicContact CG-CE1 4.21Å
326	W	73.5	Confident	62.1	Low	11 Å²	11	55.9 Å²	55.9	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-35.7	173.1	72.3	-90.7	0	0	0	112.6	D323 E324 R328 E329 E330 V358 Y362 V364 V368 L369 F372	D323-W326 PolarHBondContact O-NE1 2.93Å; E324-W326 VanDerWaalsContact C-N 3.3Å; E324-W326 PolarHBondContact O-N 3.34Å; W326-R328 VanDerWaalsContact C-N 3.33Å; W326-R328 PolarHBondContact O-N 2.9Å; W326-E329 PolarHBondContact O-N 3.14Å; W326-E330 HydrophobicContact CE3-CG 3.93Å; W326-E330 HydrophobicContact CZ3-CG 4.31Å; W326-E330 WeakPolarHBondContact O-CB 3.29Å; W326-E330 VanDerWaalsContact O-CG 3.29Å; W326-E330 WeakPolarHBondContact O-CG 3.28Å; W326-E330 PolarHBondContact O-N 2.83Å; W326-V358 HydrophobicContact CB-CG1 4Å; W326-V358 HydrophobicContact CE3-CG1 4.41Å; W326-Y362 HydrophobicContact CB-CD1 3.94Å; W326-Y362 HydrophobicContact CB-CD2 3.56Å; W326-Y362 HydrophobicContact CB-CE1 4.2Å; W326-Y362 HydrophobicContact CB-CE2 3.81Å; W326-Y362 HydrophobicContact CB-CG 3.62Å; W326-Y362 HydrophobicContact CG-CG 4.29Å; W326-V364 HydrophobicContact CD2-CG2 4.14Å; W326-V364 HydrophobicContact CG-CG2 4.21Å; W326-V364 HydrophobicContact CH2-CG1 4.26Å; W326-V364 HydrophobicContact CZ2-CG1 3.95Å; W326-V364 HydrophobicContact CZ2-CG2 4.25Å; W326-V368 HydrophobicContact CH2-CG1 4.34Å; W326-V368 HydrophobicContact CZ2-CG1 4.38Å; W326-L369 HydrophobicContact CE3-CD2 4.32Å; W326-L369 HydrophobicContact CE3-CG 4.16Å; W326-L369 HydrophobicContact CH2-CG 4.37Å; W326-L369 HydrophobicContact CZ3-CD2 3.78Å; W326-L369 HydrophobicContact CZ3-CG 3.68Å; W326-F372 HydrophobicContact CH2-CB 4.01Å; W326-F372 HydrophobicContact CH2-CD1 4.16Å; W326-F372 HydrophobicContact CH2-CD2 4.28Å; W326-F372 AromaticContact CH2-CG 3.89Å; W326-F372 HydrophobicContact CH2-CG 3.89Å; W326-F372 HydrophobicContact CZ3-CB 4.29Å; W326-F372 AromaticContact CZ3-CD1 3.71Å; W326-F372 HydrophobicContact CZ3-CD1 3.71Å; W326-F372 HydrophobicContact CZ3-CE1 4.18Å; W326-F372 AromaticContact CZ3-CG 3.94Å; W326-F372 HydrophobicContact CZ3-CG 3.94Å
327	K	75.6	Confident	63.5	Low	45 Å²	45	56.6 Å²	56.6	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-40.7	175.9	-57.1	-175.5	-158.9	163.8	0	110.8	D323 E324 E330 R331 F372	D323-K327 VanDerWaalsContact O-CE 3.26Å; D323-K327 WeakPolarHBondContact O-CE 3.44Å; E324-K327 WeakPolarHBondContact O-CA 3.15Å; E324-K327 WeakPolarHBondContact O-CB 3.49Å; E324-K327 PolarHBondContact O-N 3.49Å; E324-K327 VanDerWaalsContact OE1-CD 3.31Å; E324-K327 WeakPolarHBondContact OE1-CD 3.4Å; E324-K327 WeakPolarHBondContact OE1-CE 3.21Å; E324-K327 IonicContact OE1-NZ 3.55Å; E324-K327 PolarHBondContact OE1-NZ 3.31Å; K327-E330 PolarHBondContact O-N 2.96Å; K327-R331 WeakPolarHBondContact O-CB 3.27Å; K327-R331 WeakPolarHBondContact O-CD 3.49Å; K327-R331 VanDerWaalsContact O-CG 3.26Å; K327-R331 WeakPolarHBondContact O-CG 3.28Å; K327-R331 PolarHBondContact O-N 3.46Å; K327-F372 HydrophobicContact CB-CE1 4.38Å; K327-F372 HydrophobicContact CB-CE2 3.83Å; K327-F372 HydrophobicContact CB-CZ 3.59Å; K327-F372 HydrophobicContact CD-CD2 4.35Å; K327-F372 HydrophobicContact CD-CE2 3.87Å; K327-F372 HydrophobicContact CD-CZ 4.49Å; K327-F372 HydrophobicContact CG-CD2 4.36Å; K327-F372 HydrophobicContact CG-CE2 3.84Å; K327-F372 HydrophobicContact CG-CZ 4.02Å
328	R	70	Confident	64.8	Low	33 Å²	33	51 Å²	51	13%	0.125	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-49.3	172.8	-177	175.6	167.9	169.6	-1.8	111.6	E324 W326 E330 R331 E332 D418	E324-R328 PolarHBondContact O-N 3.31Å; W326-R328 VanDerWaalsContact C-N 3.33Å; W326-R328 PolarHBondContact O-N 2.9Å; R328-E330 VanDerWaalsContact C-N 3.29Å; R328-E330 PolarHBondContact O-N 3.32Å; R328-R331 PolarHBondContact O-N 3.26Å; R328-E332 HydrophobicContact CG-CG 4.48Å; R328-E332 IonicContact CZ-OE1 3.68Å; R328-E332 VanDerWaalsContact CZ-OE1 3.3Å; R328-E332 IonicContact NE-OE1 3.89Å; R328-E332 PolarHBondContact NE-OE1 2.99Å; R328-E332 IonicContact NH2-OE1 2.72Å; R328-E332 PolarHBondContact NH2-OE1 2.94Å; R328-E332 WeakPolarHBondContact O-CB 3.34Å; R328-E332 WeakPolarHBondContact O-CG 3.23Å; R328-E332 PolarHBondContact O-N 3.43Å; R328-D418 IonicContact CZ-OD1 3.82Å; R328-D418 VanDerWaalsContact CZ-OD1 3.26Å; R328-D418 IonicContact NH1-OD1 2.62Å; R328-D418 PolarHBondContact NH1-OD1 3.14Å; R328-D418 IonicContact NH2-OD1 2.68Å; R328-D418 PolarHBondContact NH2-OD1 2.7Å
329	E	72.5	Confident	65.8	Low	42 Å²	42	49 Å²	49	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-53.8	-46.6	173.5	-86.8	-164.5	-132	0	0	111.5	Q325 W326 E332 R333 Y362	Q325-E329 PolarHBondContact O-N 2.81Å; Q325-E329 VanDerWaalsContact O-N 3.09Å; W326-E329 PolarHBondContact O-N 3.14Å; E329-E332 PolarHBondContact O-N 3.19Å; E329-R333 WeakPolarHBondContact O-CG 3.44Å; E329-R333 PolarHBondContact O-N 2.81Å; E329-R333 IonicContact OE2-CZ 3.91Å; E329-R333 IonicContact OE2-NH1 3.97Å; E329-R333 PolarHBondContact OE2-NH1 3.44Å; E329-R333 VanDerWaalsContact OE2-NH1 3.09Å; E329-R333 IonicContact OE2-NH2 3Å; E329-R333 PolarHBondContact OE2-NH2 3.39Å; E329-Y362 PolarHBondContact OE1-OH 3.04Å
330	E	76.6	Confident	66.5	Low	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-45.3	-179.3	-75	-56.2	120.6	0	0	113.2	W326 K327 R328 R333 L334 R354 L369 F372 H373	W326-E330 HydrophobicContact CE3-CG 3.93Å; W326-E330 HydrophobicContact CZ3-CG 4.31Å; W326-E330 WeakPolarHBondContact O-CB 3.29Å; W326-E330 VanDerWaalsContact O-CG 3.29Å; W326-E330 WeakPolarHBondContact O-CG 3.28Å; W326-E330 PolarHBondContact O-N 2.83Å; K327-E330 PolarHBondContact O-N 2.96Å; R328-E330 VanDerWaalsContact C-N 3.29Å; R328-E330 PolarHBondContact O-N 3.32Å; E330-R333 PolarHBondContact O-N 2.84Å; E330-R333 IonicContact OE1-NH1 3.65Å; E330-L334 WeakPolarHBondContact O-CB 3.5Å; E330-L334 PolarHBondContact O-N 3.18Å; E330-R354 IonicContact OE1-CZ 3.34Å; E330-R354 VanDerWaalsContact OE1-CZ 3.31Å; E330-R354 IonicContact OE1-NH1 2.67Å; E330-R354 PolarHBondContact OE1-NH1 3.02Å; E330-R354 IonicContact OE1-NH2 3.39Å; E330-R354 PolarHBondContact OE1-NH2 2.82Å; E330-R354 IonicContact OE2-CZ 3.2Å; E330-R354 IonicContact OE2-NH1 3.13Å; E330-R354 PolarHBondContact OE2-NH1 3.19Å; E330-R354 IonicContact OE2-NH2 2.65Å; E330-R354 PolarHBondContact OE2-NH2 3.48Å; E330-L369 HydrophobicContact CG-CD2 3.96Å; E330-F372 HydrophobicContact CB-CD1 4.36Å; E330-F372 HydrophobicContact CB-CE1 3.66Å; E330-F372 HydrophobicContact CG-CE1 4.43Å; E330-H373 IonicContact OE2-CD2 3.54Å; E330-H373 IonicContact OE2-CE1 3.5Å; E330-H373 PolarHBondContact OE2-CE1 2.91Å; E330-H373 IonicContact OE2-NE2 2.75Å; E330-H373 PolarHBondContact OE2-NE2 3.3Å
331	R	74.7	Confident	66.7	Low	8 Å²	8	47 Å²	47	3%	0.03	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-45.7	174.8	-72.4	161.8	-178.4	150.4	-0.5	111.4	E324 K327 R328 R333 L334 F335 F372 E376 W407 Q411 N412	E324-R331 IonicContact OE2-NH1 3.26Å; E324-R331 PolarHBondContact OE2-NH1 2.88Å; E324-R331 VanDerWaalsContact OE2-NH1 3.11Å; K327-R331 WeakPolarHBondContact O-CB 3.27Å; K327-R331 WeakPolarHBondContact O-CD 3.49Å; K327-R331 VanDerWaalsContact O-CG 3.26Å; K327-R331 WeakPolarHBondContact O-CG 3.28Å; K327-R331 PolarHBondContact O-N 3.46Å; R328-R331 PolarHBondContact O-N 3.26Å; R331-R333 VanDerWaalsContact C-N 3.26Å; R331-R333 PolarHBondContact O-N 3.3Å; R331-L334 PolarHBondContact O-N 3.49Å; R331-F335 PolarHBondContact O-N 2.75Å; R331-F372 HydrophobicContact CG-CZ 3.97Å; R331-E376 IonicContact CZ-OE1 3.03Å; R331-E376 VanDerWaalsContact CZ-OE1 3.23Å; R331-E376 IonicContact NE-OE1 2.75Å; R331-E376 PolarHBondContact NE-OE1 3.12Å; R331-E376 IonicContact NH2-OE1 3.27Å; R331-E376 PolarHBondContact NH2-OE1 3.08Å; R331-W407 HydrophobicContact CB-CH2 4.4Å; R331-Q411 PolarHBondContact NH1-O 3.07Å; R331-N412 WeakPolarHBondContact CD-OD1 3.38Å
332	E	72.5	Confident	67	Low	32 Å²	32	49.8 Å²	49.8	15%	0.15	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-31.2	176.9	-74.1	-178.5	-171.4	0	0	112.3	R328 E329 W336 F414	R328-E332 HydrophobicContact CG-CG 4.48Å; R328-E332 IonicContact CZ-OE1 3.68Å; R328-E332 VanDerWaalsContact CZ-OE1 3.3Å; R328-E332 IonicContact NE-OE1 3.89Å; R328-E332 PolarHBondContact NE-OE1 2.99Å; R328-E332 IonicContact NH2-OE1 2.72Å; R328-E332 PolarHBondContact NH2-OE1 2.94Å; R328-E332 WeakPolarHBondContact O-CB 3.34Å; R328-E332 WeakPolarHBondContact O-CG 3.23Å; R328-E332 PolarHBondContact O-N 3.43Å; E329-E332 PolarHBondContact O-N 3.19Å; E332-W336 VanDerWaalsContact O-CD1 3.27Å; E332-F414 HydrophobicContact CG-CZ 4.27Å
333	R	72.5	Confident	67	Low	98 Å²	98	49.5 Å²	49.5	37%	0.37	24%	0.235	S	C	.	.	H	α-helix	trans	-78.4	-42.1	174.1	-53.2	-127.9	-178	68.7	3.6	112.2	E329 E330 R331 F335 W336 Y337	E329-R333 WeakPolarHBondContact O-CG 3.44Å; E329-R333 PolarHBondContact O-N 2.81Å; E329-R333 IonicContact OE2-CZ 3.91Å; E329-R333 IonicContact OE2-NH1 3.97Å; E329-R333 PolarHBondContact OE2-NH1 3.44Å; E329-R333 VanDerWaalsContact OE2-NH1 3.09Å; E329-R333 IonicContact OE2-NH2 3Å; E329-R333 PolarHBondContact OE2-NH2 3.39Å; E330-R333 PolarHBondContact O-N 2.84Å; E330-R333 IonicContact OE1-NH1 3.65Å; R331-R333 VanDerWaalsContact C-N 3.26Å; R331-R333 PolarHBondContact O-N 3.3Å; R333-F335 VanDerWaalsContact C-N 3.33Å; R333-F335 PolarHBondContact O-N 3.32Å; R333-W336 PolarHBondContact O-N 3.04Å; R333-Y337 PolarHBondContact O-N 2.65Å
334	L	72.5	Confident	66.4	Low	1 Å²	1	49 Å²	49	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-43.3	175.5	-87.4	163.5	0	0	0	111.8	E330 R331 W336 Y337 L338 W347 W407	E330-L334 WeakPolarHBondContact O-CB 3.5Å; E330-L334 PolarHBondContact O-N 3.18Å; R331-L334 PolarHBondContact O-N 3.49Å; L334-W336 VanDerWaalsContact C-N 3.26Å; L334-W336 PolarHBondContact O-N 3.03Å; L334-Y337 PolarHBondContact O-N 3.1Å; L334-Y337 VanDerWaalsContact O-N 3.14Å; L334-L338 WeakPolarHBondContact O-CG 3.17Å; L334-L338 PolarHBondContact O-N 3.15Å; L334-L338 VanDerWaalsContact O-N 3.1Å; L334-W347 HydrophobicContact CD2-CZ2 4.17Å; L334-W407 HydrophobicContact CB-CH2 3.76Å; L334-W407 HydrophobicContact CB-CZ2 4.4Å
335	F	73	Confident	66	Low	1 Å²	1	52.5 Å²	52.5	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-48.2	-47.8	177.8	-174.8	-85.2	0	0	0	112.9	R331 R333 R404 W407 L408 W422	R331-F335 PolarHBondContact O-N 2.75Å; R333-F335 VanDerWaalsContact C-N 3.33Å; R333-F335 PolarHBondContact O-N 3.32Å; F335-R404 HydrophobicContact CE2-CB 3.76Å; F335-R404 WeakPolarHBondContact CE2-O 3.22Å; F335-R404 HydrophobicContact CZ-CB 4Å; F335-R404 PolarHBondContact O-NH2 2.79Å; F335-W407 HydrophobicContact CB-CZ3 3.89Å; F335-W407 HydrophobicContact CD2-CE3 4.17Å; F335-W407 HydrophobicContact CD2-CZ3 4.05Å; F335-W407 HydrophobicContact CG-CZ3 4.48Å; F335-L408 HydrophobicContact CB-CD1 4.29Å; F335-L408 HydrophobicContact CD2-CB 3.81Å; F335-L408 HydrophobicContact CD2-CD1 3.9Å; F335-L408 HydrophobicContact CD2-CD2 3.84Å; F335-L408 HydrophobicContact CD2-CG 4.05Å; F335-L408 HydrophobicContact CE2-CB 3.92Å; F335-L408 HydrophobicContact CE2-CD2 3.83Å; F335-L408 HydrophobicContact CE2-CG 4.34Å; F335-L408 HydrophobicContact CG-CD1 4.35Å; F335-L408 HydrophobicContact CG-CD2 4.46Å; F335-L408 HydrophobicContact CZ-CD2 4.5Å; F335-W422 HydrophobicContact CD1-CH2 4.3Å; F335-W422 AromaticContact CD1-CZ2 3.58Å; F335-W422 HydrophobicContact CD1-CZ2 3.58Å; F335-W422 AromaticContact CE1-CH2 3.53Å; F335-W422 HydrophobicContact CE1-CH2 3.53Å; F335-W422 AromaticContact CE1-CZ2 3.28Å; F335-W422 HydrophobicContact CE1-CZ2 3.28Å; F335-W422 HydrophobicContact CE2-CZ2 4.31Å; F335-W422 HydrophobicContact CG-CZ2 4.24Å; F335-W422 AromaticContact CZ-CH2 3.69Å; F335-W422 HydrophobicContact CZ-CH2 3.69Å; F335-W422 AromaticContact CZ-CZ2 3.69Å; F335-W422 HydrophobicContact CZ-CZ2 3.69Å
336	W	70.8	Confident	65.7	Low	12 Å²	12	51.7 Å²	51.7	5%	0.045	25%	0.249	C	C	.	.	H	α-helix	trans	-78.9	-32.7	-175.7	-72.2	112	0	0	0	112.8	E332 R333 L334 L338 T339 T340 W422 N426 K429 L430	E332-W336 VanDerWaalsContact O-CD1 3.27Å; R333-W336 PolarHBondContact O-N 3.04Å; L334-W336 VanDerWaalsContact C-N 3.26Å; L334-W336 PolarHBondContact O-N 3.03Å; W336-L338 VanDerWaalsContact C-N 3.32Å; W336-L338 PolarHBondContact O-N 2.72Å; W336-T339 PolarHBondContact O-N 3.24Å; W336-T339 PolarHBondContact O-OG1 3.44Å; W336-T340 PolarHBondContact O-N 2.71Å; W336-T340 PolarHBondContact O-OG1 3.01Å; W336-W422 AromaticContact CE2-CZ2 3.71Å; W336-W422 AromaticContact CH2-CH2 3.96Å; W336-W422 HydrophobicContact CH2-CH2 3.96Å; W336-W422 HydrophobicContact CH2-CZ2 4.04Å; W336-W422 HydrophobicContact CZ2-CD2 4.41Å; W336-W422 AromaticContact CZ2-CE2 3.69Å; W336-W422 AromaticContact CZ2-CH2 3.57Å; W336-W422 HydrophobicContact CZ2-CH2 3.57Å; W336-W422 AromaticContact CZ2-CZ2 3.24Å; W336-W422 HydrophobicContact CZ2-CZ2 3.24Å; W336-W422 HydrophobicContact CZ2-CZ3 4.28Å; W336-W422 AromaticContact NE1-CE2 3.85Å; W336-W422 AromaticContact NE1-CZ2 3.92Å; W336-W422 AromaticContact NE1-NE1 3.57Å; W336-N426 VanDerWaalsContact CE2-CG 3.49Å; W336-N426 HydrophobicContact CH2-CB 3.97Å; W336-N426 HydrophobicContact CZ2-CB 3.27Å; W336-N426 VanDerWaalsContact NE1-CG 3.26Å; W336-N426 PolarHBondContact NE1-ND2 3.06Å; W336-N426 PolarHBondContact NE1-OD1 2.87Å; W336-N426 VanDerWaalsContact NE1-OD1 3.12Å; W336-K429 HydrophobicContact CB-CD 4.12Å; W336-K429 HydrophobicContact CD2-CB 4.28Å; W336-K429 HydrophobicContact CD2-CD 3.3Å; W336-K429 HydrophobicContact CD2-CG 4.46Å; W336-K429 HydrophobicContact CE3-CB 3.65Å; W336-K429 HydrophobicContact CE3-CD 3.43Å; W336-K429 VanDerWaalsContact CE3-CD 3.43Å; W336-K429 HydrophobicContact CE3-CG 4.19Å; W336-K429 HydrophobicContact CG-CD 3.6Å; W336-K429 HydrophobicContact CH2-CB 3.87Å; W336-K429 HydrophobicContact CH2-CD 4.48Å; W336-K429 HydrophobicContact CZ2-CB 4.47Å; W336-K429 HydrophobicContact CZ2-CD 4.39Å; W336-K429 HydrophobicContact CZ3-CB 3.41Å; W336-K429 VanDerWaalsContact CZ3-CB 3.41Å; W336-K429 HydrophobicContact CZ3-CD 4.04Å; W336-K429 HydrophobicContact CZ3-CG 4.41Å; W336-L430 HydrophobicContact CH2-CD2 3.91Å; W336-L430 HydrophobicContact CH2-CG 4.15Å
337	Y	68.5	Low	64.9	Low	38 Å²	38	53 Å²	53	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-44.5	174.2	177	-122.9	0	0	0	111.6	R333 L334 T339 T340 W347	R333-Y337 PolarHBondContact O-N 2.65Å; L334-Y337 PolarHBondContact O-N 3.1Å; L334-Y337 VanDerWaalsContact O-N 3.14Å; Y337-T339 PolarHBondContact O-N 3.06Å; Y337-T340 PolarHBondContact O-N 3.22Å; Y337-T340 PolarHBondContact O-OG1 2.93Å; Y337-W347 AromaticContact CD1-CD1 3.81Å; Y337-W347 AromaticContact CD1-CD2 3.94Å; Y337-W347 HydrophobicContact CD1-CD2 3.94Å; Y337-W347 AromaticContact CD1-CE2 3.31Å; Y337-W347 HydrophobicContact CD1-CG 4.16Å; Y337-W347 AromaticContact CD1-CZ2 3.63Å; Y337-W347 HydrophobicContact CD1-CZ2 3.63Å; Y337-W347 AromaticContact CD1-NE1 3.25Å; Y337-W347 VanDerWaalsContact CD1-NE1 3.25Å; Y337-W347 HydrophobicContact CD2-CB 4.23Å; Y337-W347 AromaticContact CD2-CD1 3.17Å; Y337-W347 HydrophobicContact CD2-CD2 4.36Å; Y337-W347 AromaticContact CD2-CG 3.71Å; Y337-W347 HydrophobicContact CD2-CG 3.71Å; Y337-W347 AromaticContact CD2-NE1 3.48Å; Y337-W347 AromaticContact CE1-CD1 3.9Å; Y337-W347 AromaticContact CE1-CD2 3.46Å; Y337-W347 HydrophobicContact CE1-CD2 3.46Å; Y337-W347 VanDerWaalsContact CE1-CD2 3.46Å; Y337-W347 AromaticContact CE1-CE2 3.31Å; Y337-W347 AromaticContact CE1-CE3 3.98Å; Y337-W347 HydrophobicContact CE1-CE3 3.98Å; Y337-W347 AromaticContact CE1-CG 3.78Å; Y337-W347 HydrophobicContact CE1-CG 3.78Å; Y337-W347 HydrophobicContact CE1-CH2 4.2Å; Y337-W347 AromaticContact CE1-CZ2 3.69Å; Y337-W347 HydrophobicContact CE1-CZ2 3.69Å; Y337-W347 HydrophobicContact CE1-CZ3 4.33Å; Y337-W347 AromaticContact CE1-NE1 3.62Å; Y337-W347 HydrophobicContact CE2-CB 3.49Å; Y337-W347 VanDerWaalsContact CE2-CB 3.49Å; Y337-W347 AromaticContact CE2-CD1 3.31Å; Y337-W347 AromaticContact CE2-CD2 3.96Å; Y337-W347 HydrophobicContact CE2-CD2 3.96Å; Y337-W347 AromaticContact CE2-CG 3.31Å; Y337-W347 HydrophobicContact CE2-CG 3.31Å; Y337-W347 AromaticContact CE2-NE1 3.86Å; Y337-W347 AromaticContact CG-CD1 3.43Å; Y337-W347 VanDerWaalsContact CG-CD1 3.43Å; Y337-W347 HydrophobicContact CG-CD2 4.35Å; Y337-W347 AromaticContact CG-CE2 3.76Å; Y337-W347 HydrophobicContact CG-CG 4.11Å; Y337-W347 HydrophobicContact CG-CZ2 4.42Å; Y337-W347 AromaticContact CG-NE1 3.16Å; Y337-W347 AromaticContact CZ-CD1 3.66Å; Y337-W347 AromaticContact CZ-CD2 3.47Å; Y337-W347 VanDerWaalsContact CZ-CD2 3.47Å; Y337-W347 AromaticContact CZ-CE2 3.79Å; Y337-W347 AromaticContact CZ-CG 3.32Å; Y337-W347 AromaticContact CZ-NE1 3.9Å
338	L	64.1	Low	64	Low	44 Å²	44	55.8 Å²	55.8	23%	0.23	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	3.6	179.8	-66.1	164.5	0	0	0	115.3	L334 W336 L377 Y380	L334-L338 WeakPolarHBondContact O-CG 3.17Å; L334-L338 PolarHBondContact O-N 3.15Å; L334-L338 VanDerWaalsContact O-N 3.1Å; W336-L338 VanDerWaalsContact C-N 3.32Å; W336-L338 PolarHBondContact O-N 2.72Å; L338-L377 HydrophobicContact CD2-CD2 3.95Å; L338-Y380 HydrophobicContact CB-CE1 4.16Å; L338-Y380 HydrophobicContact CD1-CD1 3.74Å; L338-Y380 HydrophobicContact CD1-CD2 4.18Å; L338-Y380 HydrophobicContact CD1-CE1 3.78Å; L338-Y380 HydrophobicContact CD1-CE2 4.23Å; L338-Y380 HydrophobicContact CD1-CG 3.93Å; L338-Y380 HydrophobicContact CD2-CD1 3.97Å; L338-Y380 HydrophobicContact CD2-CE1 3.81Å; L338-Y380 HydrophobicContact CG-CD1 4.4Å; L338-Y380 HydrophobicContact CG-CE1 4.12Å
339	T	60	Low	63.7	Low	23 Å²	23	61.2 Å²	61.2	14%	0.141	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-3.1	170.7	47.8	0	0	0	0	115.7	W336 Y337 R404	W336-T339 PolarHBondContact O-N 3.24Å; W336-T339 PolarHBondContact O-OG1 3.44Å; Y337-T339 PolarHBondContact O-N 3.06Å; T339-R404 PolarHBondContact OG1-NH2 3.1Å
340	T	60	Low	63.3	Low	41 Å²	41	64.2 Å²	64.2	25%	0.252	31%	0.309	S	S	.	.	S	Bend	trans	-97	123.5	177	32.5	0	0	0	0	109	W336 Y337 Q342	W336-T340 PolarHBondContact O-N 2.71Å; W336-T340 PolarHBondContact O-OG1 3.01Å; Y337-T340 PolarHBondContact O-N 3.22Å; Y337-T340 PolarHBondContact O-OG1 2.93Å; T340-Q342 PolarHBondContact O-N 3.43Å
341	P	49.1	Very low	62.7	Low	123 Å²	123	64.6 Å²	64.6	80%	0.799	31%	0.311	S	S	*	.			trans	-77.4	40.8	-176.4	33.6	-37.5	0	0	0	112.7
342	Q	57.3	Low	62.3	Low	89 Å²	89	69.2 Å²	69.2	42%	0.416	33%	0.332	S	S	.	.			trans	-69	148.1	168.7	-70	-177.9	-43.2	0	0	109.4	T340	T340-Q342 PolarHBondContact O-N 3.43Å
343	R	53.5	Low	62.3	Low	175 Å²	175	75.3 Å²	75.3	66%	0.66	36%	0.361	S	S	*	.			trans	-66.5	149.6	179.7	-61.9	175.3	165.7	-178.7	-6.1	110	D345 D346 W347	R343-D345 PolarHBondContact O-N 2.75Å; R343-D346 HydrophobicContact CB-CB 4.36Å; R343-D346 VanDerWaalsContact CB-OD2 3.31Å; R343-D346 WeakPolarHBondContact CB-OD2 3.44Å; R343-D346 PolarHBondContact N-OD2 2.94Å; R343-D346 PolarHBondContact O-N 3.47Å; R343-W347 PolarHBondContact O-N 2.99Å
344	L	47.3	Very low	62.3	Low	102 Å²	102	73.2 Å²	73.2	53%	0.534	35%	0.353	S	S	.	.	H	α-helix	trans	-55	-34.9	172.7	-160.1	87.7	0	0	0	110.7	Q348	L344-Q348 WeakPolarHBondContact O-CB 3.32Å; L344-Q348 WeakPolarHBondContact O-CG 3.39Å; L344-Q348 PolarHBondContact O-N 3.47Å
345	D	55	Low	62.2	Low	95 Å²	95	73.4 Å²	73.4	51%	0.508	35%	0.354	S	S	.	.	H	α-helix	trans	-69.8	-47.5	179.2	-36.7	-58.8	0	0	0	112.4	R343 W347 Q348 Q349	R343-D345 PolarHBondContact O-N 2.75Å; D345-W347 PolarHBondContact O-N 3.26Å; D345-Q348 PolarHBondContact O-N 3.28Å; D345-Q348 VanDerWaalsContact O-N 3.16Å; D345-Q349 PolarHBondContact O-N 2.85Å
346	D	62	Low	62.3	Low	72 Å²	72	77.8 Å²	77.8	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-59.4	-41.1	176.5	-57.6	-34.8	0	0	0	110.1	R343 Q350	R343-D346 HydrophobicContact CB-CB 4.36Å; R343-D346 VanDerWaalsContact CB-OD2 3.31Å; R343-D346 WeakPolarHBondContact CB-OD2 3.44Å; R343-D346 PolarHBondContact N-OD2 2.94Å; R343-D346 PolarHBondContact O-N 3.47Å; D346-Q350 WeakPolarHBondContact O-CB 3.36Å; D346-Q350 WeakPolarHBondContact O-CG 3.28Å; D346-Q350 PolarHBondContact O-N 3.35Å; D346-Q350 VanDerWaalsContact O-N 3.09Å
347	W	55.6	Low	62.5	Low	40 Å²	40	78 Å²	78	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-69.4	-41.3	174.8	-178.2	81.6	0	0	0	112.3	L334 Y337 R343 D345 Q349 Q350 Q351	L334-W347 HydrophobicContact CD2-CZ2 4.17Å; Y337-W347 AromaticContact CD1-CD1 3.81Å; Y337-W347 AromaticContact CD1-CD2 3.94Å; Y337-W347 HydrophobicContact CD1-CD2 3.94Å; Y337-W347 AromaticContact CD1-CE2 3.31Å; Y337-W347 HydrophobicContact CD1-CG 4.16Å; Y337-W347 AromaticContact CD1-CZ2 3.63Å; Y337-W347 HydrophobicContact CD1-CZ2 3.63Å; Y337-W347 AromaticContact CD1-NE1 3.25Å; Y337-W347 VanDerWaalsContact CD1-NE1 3.25Å; Y337-W347 HydrophobicContact CD2-CB 4.23Å; Y337-W347 AromaticContact CD2-CD1 3.17Å; Y337-W347 HydrophobicContact CD2-CD2 4.36Å; Y337-W347 AromaticContact CD2-CG 3.71Å; Y337-W347 HydrophobicContact CD2-CG 3.71Å; Y337-W347 AromaticContact CD2-NE1 3.48Å; Y337-W347 AromaticContact CE1-CD1 3.9Å; Y337-W347 AromaticContact CE1-CD2 3.46Å; Y337-W347 HydrophobicContact CE1-CD2 3.46Å; Y337-W347 VanDerWaalsContact CE1-CD2 3.46Å; Y337-W347 AromaticContact CE1-CE2 3.31Å; Y337-W347 AromaticContact CE1-CE3 3.98Å; Y337-W347 HydrophobicContact CE1-CE3 3.98Å; Y337-W347 AromaticContact CE1-CG 3.78Å; Y337-W347 HydrophobicContact CE1-CG 3.78Å; Y337-W347 HydrophobicContact CE1-CH2 4.2Å; Y337-W347 AromaticContact CE1-CZ2 3.69Å; Y337-W347 HydrophobicContact CE1-CZ2 3.69Å; Y337-W347 HydrophobicContact CE1-CZ3 4.33Å; Y337-W347 AromaticContact CE1-NE1 3.62Å; Y337-W347 HydrophobicContact CE2-CB 3.49Å; Y337-W347 VanDerWaalsContact CE2-CB 3.49Å; Y337-W347 AromaticContact CE2-CD1 3.31Å; Y337-W347 AromaticContact CE2-CD2 3.96Å; Y337-W347 HydrophobicContact CE2-CD2 3.96Å; Y337-W347 AromaticContact CE2-CG 3.31Å; Y337-W347 HydrophobicContact CE2-CG 3.31Å; Y337-W347 AromaticContact CE2-NE1 3.86Å; Y337-W347 AromaticContact CG-CD1 3.43Å; Y337-W347 VanDerWaalsContact CG-CD1 3.43Å; Y337-W347 HydrophobicContact CG-CD2 4.35Å; Y337-W347 AromaticContact CG-CE2 3.76Å; Y337-W347 HydrophobicContact CG-CG 4.11Å; Y337-W347 HydrophobicContact CG-CZ2 4.42Å; Y337-W347 AromaticContact CG-NE1 3.16Å; Y337-W347 AromaticContact CZ-CD1 3.66Å; Y337-W347 AromaticContact CZ-CD2 3.47Å; Y337-W347 VanDerWaalsContact CZ-CD2 3.47Å; Y337-W347 AromaticContact CZ-CE2 3.79Å; Y337-W347 AromaticContact CZ-CG 3.32Å; Y337-W347 AromaticContact CZ-NE1 3.9Å; R343-W347 PolarHBondContact O-N 2.99Å; D345-W347 PolarHBondContact O-N 3.26Å; W347-Q349 VanDerWaalsContact C-N 3.34Å; W347-Q349 PolarHBondContact O-N 3.47Å; W347-Q350 CarbonylContact O-C 3.33Å; W347-Q350 PolarHBondContact O-N 3.32Å; W347-Q351 HydrophobicContact CD2-CG 3.51Å; W347-Q351 VanDerWaalsContact CE2-CG 3.44Å; W347-Q351 HydrophobicContact CE3-CG 3.83Å; W347-Q351 HydrophobicContact CG-CG 4.06Å; W347-Q351 HydrophobicContact CH2-CG 4.05Å; W347-Q351 HydrophobicContact CZ2-CG 3.76Å; W347-Q351 HydrophobicContact CZ3-CG 4.07Å; W347-Q351 VanDerWaalsContact NE1-NE2 3.18Å; W347-Q351 WeakPolarHBondContact O-CA 3.38Å; W347-Q351 WeakPolarHBondContact O-CB 3.48Å; W347-Q351 WeakPolarHBondContact O-CG 3.44Å; W347-Q351 PolarHBondContact O-N 2.88Å
348	Q	56.1	Low	62.8	Low	103 Å²	103	76.3 Å²	76.3	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-41.7	176.8	-85	-175.2	-5.6	0	0	111.8	L344 D345 Q351 E352	L344-Q348 WeakPolarHBondContact O-CB 3.32Å; L344-Q348 WeakPolarHBondContact O-CG 3.39Å; L344-Q348 PolarHBondContact O-N 3.47Å; D345-Q348 PolarHBondContact O-N 3.28Å; D345-Q348 VanDerWaalsContact O-N 3.16Å; Q348-Q351 WeakPolarHBondContact O-CB 3.11Å; Q348-Q351 PolarHBondContact O-N 2.96Å; Q348-E352 WeakPolarHBondContact O-CG 3.31Å; Q348-E352 PolarHBondContact O-N 2.92Å
349	Q	64.4	Low	63.4	Low	147 Å²	147	76 Å²	76	69%	0.687	38%	0.377	S	S	*	.	H	α-helix	trans	-66.5	-48.1	175.8	-68.4	-175.3	-2.4	0	0	112	D345 W347 Q351 E352 E353	D345-Q349 PolarHBondContact O-N 2.85Å; W347-Q349 VanDerWaalsContact C-N 3.34Å; W347-Q349 PolarHBondContact O-N 3.47Å; Q349-Q351 PolarHBondContact O-N 3.13Å; Q349-E352 PolarHBondContact O-N 2.9Å; Q349-E353 PolarHBondContact O-N 3.06Å
350	Q	65	Low	64.1	Low	105 Å²	105	82.3 Å²	82.3	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-27.9	175	-70.8	178.7	26.3	0	0	112.4	D346 W347 R354	D346-Q350 WeakPolarHBondContact O-CB 3.36Å; D346-Q350 WeakPolarHBondContact O-CG 3.28Å; D346-Q350 PolarHBondContact O-N 3.35Å; D346-Q350 VanDerWaalsContact O-N 3.09Å; W347-Q350 CarbonylContact O-C 3.33Å; W347-Q350 PolarHBondContact O-N 3.32Å; Q350-R354 WeakPolarHBondContact O-CB 3.43Å; Q350-R354 PolarHBondContact O-N 3.33Å
351	Q	63.1	Low	64.8	Low	8 Å²	8	88 Å²	88	4%	0.037	42%	0.421	C	S	.	.	H	α-helix	trans	-69.5	-53.2	171.5	-80.6	-69.1	4.5	0	0	110.7	W347 Q348 Q349 E353 R354 L355	W347-Q351 HydrophobicContact CD2-CG 3.51Å; W347-Q351 VanDerWaalsContact CE2-CG 3.44Å; W347-Q351 HydrophobicContact CE3-CG 3.83Å; W347-Q351 HydrophobicContact CG-CG 4.06Å; W347-Q351 HydrophobicContact CH2-CG 4.05Å; W347-Q351 HydrophobicContact CZ2-CG 3.76Å; W347-Q351 HydrophobicContact CZ3-CG 4.07Å; W347-Q351 VanDerWaalsContact NE1-NE2 3.18Å; W347-Q351 WeakPolarHBondContact O-CA 3.38Å; W347-Q351 WeakPolarHBondContact O-CB 3.48Å; W347-Q351 WeakPolarHBondContact O-CG 3.44Å; W347-Q351 PolarHBondContact O-N 2.88Å; Q348-Q351 WeakPolarHBondContact O-CB 3.11Å; Q348-Q351 PolarHBondContact O-N 2.96Å; Q349-Q351 PolarHBondContact O-N 3.13Å; Q351-E353 PolarHBondContact O-N 3.25Å; Q351-R354 VanDerWaalsContact CD-NH2 3.28Å; Q351-R354 CarbonylContact O-C 3.59Å; Q351-R354 PolarHBondContact O-N 2.78Å; Q351-R354 VanDerWaalsContact O-N 3.1Å; Q351-L355 HydrophobicContact CB-CD1 3.98Å; Q351-L355 HydrophobicContact CB-CG 4.42Å; Q351-L355 WeakPolarHBondContact O-CA 3.5Å; Q351-L355 WeakPolarHBondContact O-CB 3Å; Q351-L355 WeakPolarHBondContact O-CG 3.39Å; Q351-L355 PolarHBondContact O-N 2.67Å
352	E	66.3	Low	65.9	Low	104 Å²	104	83.7 Å²	83.7	49%	0.486	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-40.4	-173.5	-67.3	-159.2	140.1	0	0	112.6	Q348 Q349 L356 K370	Q348-E352 WeakPolarHBondContact O-CG 3.31Å; Q348-E352 PolarHBondContact O-N 2.92Å; Q349-E352 PolarHBondContact O-N 2.9Å; E352-L356 WeakPolarHBondContact O-CB 3.34Å; E352-L356 WeakPolarHBondContact O-CD1 3.41Å; E352-L356 WeakPolarHBondContact O-CG 3.43Å; E352-L356 PolarHBondContact O-N 3.14Å; E352-K370 IonicContact OE1-NZ 3.16Å; E352-K370 PolarHBondContact OE1-NZ 2.78Å
353	E	71.9	Confident	66.8	Low	160 Å²	160	88.3 Å²	88.3	75%	0.748	41%	0.411	S	S	*	.	H	α-helix	trans	-63.3	-44.9	171.7	-65.9	-168.3	153.6	0	0	112.8	Q349 Q351 G357	Q349-E353 PolarHBondContact O-N 3.06Å; Q351-E353 PolarHBondContact O-N 3.25Å; E353-G357 PolarHBondContact O-N 2.81Å
354	R	72.1	Confident	67.6	Low	55 Å²	55	81 Å²	81	21%	0.208	39%	0.386	C	S	.	.	H	α-helix	trans	-71.9	-36.1	-177.3	-172.6	-177	76.2	81.8	3.9	112.7	E330 Q350 Q351 G357 V358	E330-R354 IonicContact OE1-CZ 3.34Å; E330-R354 VanDerWaalsContact OE1-CZ 3.31Å; E330-R354 IonicContact OE1-NH1 2.67Å; E330-R354 PolarHBondContact OE1-NH1 3.02Å; E330-R354 IonicContact OE1-NH2 3.39Å; E330-R354 PolarHBondContact OE1-NH2 2.82Å; E330-R354 IonicContact OE2-CZ 3.2Å; E330-R354 IonicContact OE2-NH1 3.13Å; E330-R354 PolarHBondContact OE2-NH1 3.19Å; E330-R354 IonicContact OE2-NH2 2.65Å; E330-R354 PolarHBondContact OE2-NH2 3.48Å; Q350-R354 WeakPolarHBondContact O-CB 3.43Å; Q350-R354 PolarHBondContact O-N 3.33Å; Q351-R354 VanDerWaalsContact CD-NH2 3.28Å; Q351-R354 CarbonylContact O-C 3.59Å; Q351-R354 PolarHBondContact O-N 2.78Å; Q351-R354 VanDerWaalsContact O-N 3.1Å; R354-G357 CarbonylContact O-C 3.59Å; R354-G357 WeakPolarHBondContact O-CA 3.38Å; R354-G357 PolarHBondContact O-N 3.32Å; R354-G357 VanDerWaalsContact O-N 3.17Å; R354-V358 WeakPolarHBondContact O-CG2 3.19Å; R354-V358 PolarHBondContact O-N 2.99Å
355	L	71.4	Confident	69	Low	5 Å²	5	79 Å²	79	3%	0.026	38%	0.38	C	S	.	.	H	α-helix	trans	-66.8	-44.6	175.4	-71.9	171	0	0	0	110	Q351 G357 V358 V359 L366 L369	Q351-L355 HydrophobicContact CB-CD1 3.98Å; Q351-L355 HydrophobicContact CB-CG 4.42Å; Q351-L355 WeakPolarHBondContact O-CA 3.5Å; Q351-L355 WeakPolarHBondContact O-CB 3Å; Q351-L355 WeakPolarHBondContact O-CG 3.39Å; Q351-L355 PolarHBondContact O-N 2.67Å; L355-G357 PolarHBondContact O-N 2.95Å; L355-V358 PolarHBondContact O-N 2.88Å; L355-V358 VanDerWaalsContact O-N 3.11Å; L355-V359 VanDerWaalsContact O-CB 3.29Å; L355-V359 WeakPolarHBondContact O-CB 3.17Å; L355-V359 WeakPolarHBondContact O-CG2 3.43Å; L355-V359 PolarHBondContact O-N 3.17Å; L355-L366 HydrophobicContact CB-CD1 3.98Å; L355-L369 HydrophobicContact CD2-CB 4.27Å; L355-L369 HydrophobicContact CD2-CD1 3.54Å; L355-L369 HydrophobicContact CD2-CD2 3.33Å; L355-L369 HydrophobicContact CD2-CG 3.86Å
356	L	75.1	Confident	69.8	Low	92 Å²	92	77 Å²	77	48%	0.482	37%	0.37	S	S	.	.	H	α-helix	trans	-57.7	-39	169.2	-71.6	168.4	0	0	0	111.1	E352 Q360	E352-L356 WeakPolarHBondContact O-CB 3.34Å; E352-L356 WeakPolarHBondContact O-CD1 3.41Å; E352-L356 WeakPolarHBondContact O-CG 3.43Å; E352-L356 PolarHBondContact O-N 3.14Å; L356-Q360 WeakPolarHBondContact O-CB 3.49Å; L356-Q360 WeakPolarHBondContact O-CG 3.28Å; L356-Q360 PolarHBondContact O-N 3.44Å
357	G	75.6	Confident	70.4	Confident	18 Å²	18	77.2 Å²	77.2	19%	0.186	38%	0.375	C	S	.	.	H	α-helix	trans	-63	-37.8	172.1	0	0	0	0	0	114.8	E353 R354 L355 R361	E353-G357 PolarHBondContact O-N 2.81Å; R354-G357 CarbonylContact O-C 3.59Å; R354-G357 WeakPolarHBondContact O-CA 3.38Å; R354-G357 PolarHBondContact O-N 3.32Å; R354-G357 VanDerWaalsContact O-N 3.17Å; L355-G357 PolarHBondContact O-N 2.95Å; G357-R361 WeakPolarHBondContact O-CB 3.25Å; G357-R361 WeakPolarHBondContact O-CG 3.47Å; G357-R361 PolarHBondContact O-N 3.18Å
358	V	75.2	Confident	71.2	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.012	39%	0.387	C	S	.	.	H	α-helix	trans	-76.4	-42.2	177.7	172.1	0	0	0	0	111.3	W326 R354 L355 Q360 R361 Y362 L369	W326-V358 HydrophobicContact CB-CG1 4Å; W326-V358 HydrophobicContact CE3-CG1 4.41Å; R354-V358 WeakPolarHBondContact O-CG2 3.19Å; R354-V358 PolarHBondContact O-N 2.99Å; L355-V358 PolarHBondContact O-N 2.88Å; L355-V358 VanDerWaalsContact O-N 3.11Å; V358-Q360 VanDerWaalsContact C-N 3.26Å; V358-Q360 PolarHBondContact O-N 3.14Å; V358-R361 PolarHBondContact O-N 2.94Å; V358-Y362 HydrophobicContact CG1-CD2 4.03Å; V358-Y362 PolarHBondContact O-N 3.08Å; V358-L369 HydrophobicContact CB-CD1 4.01Å; V358-L369 HydrophobicContact CG1-CD1 3.71Å
359	V	75.9	Confident	72.1	Confident	36 Å²	36	73.7 Å²	73.7	22%	0.218	36%	0.364	C	S	.	.	H	α-helix	trans	-50.1	-46.7	167.8	162.6	0	0	0	0	110.4	L355 Q363 V364 L366 L369	L355-V359 VanDerWaalsContact O-CB 3.29Å; L355-V359 WeakPolarHBondContact O-CB 3.17Å; L355-V359 WeakPolarHBondContact O-CG2 3.43Å; L355-V359 PolarHBondContact O-N 3.17Å; V359-Q363 VanDerWaalsContact O-CA 3.24Å; V359-Q363 WeakPolarHBondContact O-CA 3.15Å; V359-Q363 PolarHBondContact O-N 3.38Å; V359-V364 WeakPolarHBondContact CA-O 3.25Å; V359-V364 WeakPolarHBondContact CB-O 3.27Å; V359-V364 WeakPolarHBondContact CG1-O 3.26Å; V359-V364 WeakPolarHBondContact CG2-O 3.42Å; V359-L366 HydrophobicContact CG2-CB 4.45Å; V359-L366 HydrophobicContact CG2-CD1 4.25Å; V359-L369 HydrophobicContact CG2-CD1 4.28Å
360	Q	74.7	Confident	72.5	Confident	156 Å²	156	70.9 Å²	70.9	73%	0.729	35%	0.35	S	S	*	.	H	α-helix	trans	-69.5	-41.1	177.4	-74.4	171	10.4	0	0	113.8	L356 V358	L356-Q360 WeakPolarHBondContact O-CB 3.49Å; L356-Q360 WeakPolarHBondContact O-CG 3.28Å; L356-Q360 PolarHBondContact O-N 3.44Å; V358-Q360 VanDerWaalsContact C-N 3.26Å; V358-Q360 PolarHBondContact O-N 3.14Å
361	R	74.4	Confident	72.8	Confident	160 Å²	160	70.4 Å²	70.4	60%	0.604	35%	0.348	S	S	*	.	H	α-helix	trans	-71.8	-34.8	-177.9	-75	171.2	-165	-164.7	4.3	113.9	G357 V358	G357-R361 WeakPolarHBondContact O-CB 3.25Å; G357-R361 WeakPolarHBondContact O-CG 3.47Å; G357-R361 PolarHBondContact O-N 3.18Å; V358-R361 PolarHBondContact O-N 2.94Å
362	Y	73.1	Confident	73.5	Confident	34 Å²	34	71.1 Å²	71.1	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-121	3	-169.2	-65.1	-85.5	0	0	0	114	R322 Q325 W326 E329 V358 V364	R322-Y362 HydrophobicContact CG-CD1 4.45Å; Q325-Y362 HydrophobicContact CB-CE1 4.04Å; Q325-Y362 HydrophobicContact CG-CE1 4.21Å; W326-Y362 HydrophobicContact CB-CD1 3.94Å; W326-Y362 HydrophobicContact CB-CD2 3.56Å; W326-Y362 HydrophobicContact CB-CE1 4.2Å; W326-Y362 HydrophobicContact CB-CE2 3.81Å; W326-Y362 HydrophobicContact CB-CG 3.62Å; W326-Y362 HydrophobicContact CG-CG 4.29Å; E329-Y362 PolarHBondContact OE1-OH 3.04Å; V358-Y362 HydrophobicContact CG1-CD2 4.03Å; V358-Y362 PolarHBondContact O-N 3.08Å; Y362-V364 PolarHBondContact O-N 3.42Å; Y362-V364 VanDerWaalsContact O-N 3.14Å
363	Q	74.7	Confident	73.9	Confident	186 Å²	186	66.8 Å²	66.8	87%	0.869	33%	0.33	S	S	*	.			trans	60.3	19.6	177	-57	-177.5	-10.5	0	0	115	V359	V359-Q363 VanDerWaalsContact O-CA 3.24Å; V359-Q363 WeakPolarHBondContact O-CA 3.15Å; V359-Q363 PolarHBondContact O-N 3.38Å
364	V	71.1	Confident	73.8	Confident	22 Å²	22	68.4 Å²	68.4	13%	0.133	33%	0.33	C	S	.	.			trans	-79.7	149.4	176.5	-173.7	0	0	0	0	110.2	W326 V359 Y362 V368	W326-V364 HydrophobicContact CD2-CG2 4.14Å; W326-V364 HydrophobicContact CG-CG2 4.21Å; W326-V364 HydrophobicContact CH2-CG1 4.26Å; W326-V364 HydrophobicContact CZ2-CG1 3.95Å; W326-V364 HydrophobicContact CZ2-CG2 4.25Å; V359-V364 WeakPolarHBondContact CA-O 3.25Å; V359-V364 WeakPolarHBondContact CB-O 3.27Å; V359-V364 WeakPolarHBondContact CG1-O 3.26Å; V359-V364 WeakPolarHBondContact CG2-O 3.42Å; Y362-V364 PolarHBondContact O-N 3.42Å; Y362-V364 VanDerWaalsContact O-N 3.14Å; V364-V368 HydrophobicContact CG1-CB 4.01Å; V364-V368 HydrophobicContact CG1-CG1 3.75Å
365	S	75.7	Confident	73.8	Confident	58 Å²	58	73.3 Å²	73.3	41%	0.406	35%	0.348	S	S	.	.			trans	-84.3	146.8	176.4	75.1	0	0	0	0	112.6	P367 V368 L369	S365-P367 VanDerWaalsContact C-CD 3.46Å; S365-P367 VanDerWaalsContact C-N 3.33Å; S365-V368 PolarHBondContact O-N 2.9Å; S365-V368 WeakPolarHBondContact OG-CG2 3.32Å; S365-L369 PolarHBondContact O-N 2.91Å; S365-L369 VanDerWaalsContact O-N 3.15Å
366	L	73.1	Confident	73.8	Confident	55 Å²	55	73.2 Å²	73.2	29%	0.288	35%	0.347	S	S	.	.	H	α-helix	trans	-56.2	-37.6	178.2	-162.1	90.7	0	0	0	113.5	L355 V359 L369 K370	L355-L366 HydrophobicContact CB-CD1 3.98Å; V359-L366 HydrophobicContact CG2-CB 4.45Å; V359-L366 HydrophobicContact CG2-CD1 4.25Å; L366-L369 PolarHBondContact O-N 3.34Å; L366-K370 HydrophobicContact CD2-CD 4.32Å; L366-K370 HydrophobicContact CG-CD 4.49Å; L366-K370 PolarHBondContact O-N 2.98Å
367	P	74.2	Confident	73.5	Confident	76 Å²	76	71.4 Å²	71.4	49%	0.494	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-46.6	173.5	-25.9	36.6	0	0	0	113.4	S365 L369 K370 E371	S365-P367 VanDerWaalsContact C-CD 3.46Å; S365-P367 VanDerWaalsContact C-N 3.33Å; P367-L369 PolarHBondContact O-N 3.21Å; P367-K370 PolarHBondContact O-N 2.82Å; P367-E371 WeakPolarHBondContact O-CB 3.29Å; P367-E371 PolarHBondContact O-N 2.63Å
368	V	73.3	Confident	73.1	Confident	69 Å²	69	73.2 Å²	73.2	42%	0.418	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-38.5	177.8	168.6	0	0	0	0	110.8	W326 V364 S365 E371 F372	W326-V368 HydrophobicContact CH2-CG1 4.34Å; W326-V368 HydrophobicContact CZ2-CG1 4.38Å; V364-V368 HydrophobicContact CG1-CB 4.01Å; V364-V368 HydrophobicContact CG1-CG1 3.75Å; S365-V368 PolarHBondContact O-N 2.9Å; S365-V368 WeakPolarHBondContact OG-CG2 3.32Å; V368-E371 PolarHBondContact O-N 2.93Å; V368-F372 VanDerWaalsContact O-CB 3.25Å; V368-F372 WeakPolarHBondContact O-CB 3.31Å; V368-F372 PolarHBondContact O-N 3.17Å
369	L	73.7	Confident	72.6	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-71.2	-41.1	178.7	-131.2	173.4	0	0	0	112.6	W326 E330 L355 V358 V359 S365 L366 P367 E371 F372 H373	W326-L369 HydrophobicContact CE3-CD2 4.32Å; W326-L369 HydrophobicContact CE3-CG 4.16Å; W326-L369 HydrophobicContact CH2-CG 4.37Å; W326-L369 HydrophobicContact CZ3-CD2 3.78Å; W326-L369 HydrophobicContact CZ3-CG 3.68Å; E330-L369 HydrophobicContact CG-CD2 3.96Å; L355-L369 HydrophobicContact CD2-CB 4.27Å; L355-L369 HydrophobicContact CD2-CD1 3.54Å; L355-L369 HydrophobicContact CD2-CD2 3.33Å; L355-L369 HydrophobicContact CD2-CG 3.86Å; V358-L369 HydrophobicContact CB-CD1 4.01Å; V358-L369 HydrophobicContact CG1-CD1 3.71Å; V359-L369 HydrophobicContact CG2-CD1 4.28Å; S365-L369 PolarHBondContact O-N 2.91Å; S365-L369 VanDerWaalsContact O-N 3.15Å; L366-L369 PolarHBondContact O-N 3.34Å; P367-L369 PolarHBondContact O-N 3.21Å; L369-E371 VanDerWaalsContact C-N 3.35Å; L369-F372 PolarHBondContact O-N 2.81Å; L369-H373 PolarHBondContact O-N 3.26Å; L369-H373 VanDerWaalsContact O-N 3.07Å
370	K	73.3	Confident	72.3	Confident	88 Å²	88	75.2 Å²	75.2	38%	0.383	36%	0.355	S	S	.	.	H	α-helix	trans	-67.3	-33.6	173.8	-74.4	-174.2	174.7	-175.3	0	112.1	E352 L366 P367 R374	E352-K370 IonicContact OE1-NZ 3.16Å; E352-K370 PolarHBondContact OE1-NZ 2.78Å; L366-K370 HydrophobicContact CD2-CD 4.32Å; L366-K370 HydrophobicContact CG-CD 4.49Å; L366-K370 PolarHBondContact O-N 2.98Å; P367-K370 PolarHBondContact O-N 2.82Å; K370-R374 PolarHBondContact O-N 2.74Å
371	E	71.8	Confident	72	Confident	95 Å²	95	74.2 Å²	74.2	44%	0.444	35%	0.35	S	S	.	.	H	α-helix	trans	-73.2	-41	175.4	-166.3	180	178	0	0	112.1	P367 V368 L369 H373 R374 R375	P367-E371 WeakPolarHBondContact O-CB 3.29Å; P367-E371 PolarHBondContact O-N 2.63Å; V368-E371 PolarHBondContact O-N 2.93Å; L369-E371 VanDerWaalsContact C-N 3.35Å; E371-H373 VanDerWaalsContact C-N 3.35Å; E371-H373 PolarHBondContact O-N 3.5Å; E371-R374 PolarHBondContact O-N 3.14Å; E371-R374 VanDerWaalsContact O-N 3.17Å; E371-R375 WeakPolarHBondContact O-CG 3.32Å; E371-R375 PolarHBondContact O-N 2.96Å; E371-R375 IonicContact OE1-CZ 3.37Å; E371-R375 IonicContact OE1-NE 2.78Å; E371-R375 PolarHBondContact OE1-NE 3.47Å; E371-R375 IonicContact OE1-NH2 3.28Å; E371-R375 PolarHBondContact OE1-NH2 2.94Å
372	F	77.3	Confident	71.5	Confident	22 Å²	22	67.7 Å²	67.7	10%	0.096	33%	0.331	C	S	.	.	H	α-helix	trans	-55.2	-47.9	171	175.7	-103	0	0	0	111.6	W326 K327 E330 R331 V368 L369 R374 R375 E376	W326-F372 HydrophobicContact CH2-CB 4.01Å; W326-F372 HydrophobicContact CH2-CD1 4.16Å; W326-F372 HydrophobicContact CH2-CD2 4.28Å; W326-F372 AromaticContact CH2-CG 3.89Å; W326-F372 HydrophobicContact CH2-CG 3.89Å; W326-F372 HydrophobicContact CZ3-CB 4.29Å; W326-F372 AromaticContact CZ3-CD1 3.71Å; W326-F372 HydrophobicContact CZ3-CD1 3.71Å; W326-F372 HydrophobicContact CZ3-CE1 4.18Å; W326-F372 AromaticContact CZ3-CG 3.94Å; W326-F372 HydrophobicContact CZ3-CG 3.94Å; K327-F372 HydrophobicContact CB-CE1 4.38Å; K327-F372 HydrophobicContact CB-CE2 3.83Å; K327-F372 HydrophobicContact CB-CZ 3.59Å; K327-F372 HydrophobicContact CD-CD2 4.35Å; K327-F372 HydrophobicContact CD-CE2 3.87Å; K327-F372 HydrophobicContact CD-CZ 4.49Å; K327-F372 HydrophobicContact CG-CD2 4.36Å; K327-F372 HydrophobicContact CG-CE2 3.84Å; K327-F372 HydrophobicContact CG-CZ 4.02Å; E330-F372 HydrophobicContact CB-CD1 4.36Å; E330-F372 HydrophobicContact CB-CE1 3.66Å; E330-F372 HydrophobicContact CG-CE1 4.43Å; R331-F372 HydrophobicContact CG-CZ 3.97Å; V368-F372 VanDerWaalsContact O-CB 3.25Å; V368-F372 WeakPolarHBondContact O-CB 3.31Å; V368-F372 PolarHBondContact O-N 3.17Å; L369-F372 PolarHBondContact O-N 2.81Å; F372-R374 PolarHBondContact O-N 2.89Å; F372-R375 PolarHBondContact O-N 3.48Å; F372-E376 HydrophobicContact CD1-CG 4.49Å; F372-E376 HydrophobicContact CD2-CG 4.13Å; F372-E376 HydrophobicContact CE1-CG 4.11Å; F372-E376 HydrophobicContact CE2-CG 3.73Å; F372-E376 WeakPolarHBondContact CE2-OE1 3.46Å; F372-E376 HydrophobicContact CG-CG 4.49Å; F372-E376 HydrophobicContact CZ-CG 3.73Å; F372-E376 WeakPolarHBondContact O-CG 3.34Å; F372-E376 PolarHBondContact O-N 2.79Å
373	H	73.4	Confident	71.1	Confident	13 Å²	13	66.2 Å²	66.2	6%	0.06	33%	0.325	C	S	.	.	H	α-helix	trans	-58.2	-42.6	174.5	-75.1	-175.8	0	0	0	113	E330 L369 E371 L377	E330-H373 IonicContact OE2-CD2 3.54Å; E330-H373 IonicContact OE2-CE1 3.5Å; E330-H373 PolarHBondContact OE2-CE1 2.91Å; E330-H373 IonicContact OE2-NE2 2.75Å; E330-H373 PolarHBondContact OE2-NE2 3.3Å; L369-H373 PolarHBondContact O-N 3.26Å; L369-H373 VanDerWaalsContact O-N 3.07Å; E371-H373 VanDerWaalsContact C-N 3.35Å; E371-H373 PolarHBondContact O-N 3.5Å; H373-L377 WeakPolarHBondContact O-CB 3.17Å; H373-L377 VanDerWaalsContact O-CG 3.25Å; H373-L377 WeakPolarHBondContact O-CG 3.35Å; H373-L377 PolarHBondContact O-N 2.9Å
374	R	71.6	Confident	70.8	Confident	194 Å²	194	59 Å²	59	73%	0.732	29%	0.292	S	S	*	.	H	α-helix	trans	-61.8	-46.2	176.6	-75.3	176.4	173.6	178.5	-3.2	112.2	K370 E371 F372 L377 A378	K370-R374 PolarHBondContact O-N 2.74Å; E371-R374 PolarHBondContact O-N 3.14Å; E371-R374 VanDerWaalsContact O-N 3.17Å; F372-R374 PolarHBondContact O-N 2.89Å; R374-L377 PolarHBondContact O-N 3.03Å; R374-A378 PolarHBondContact O-N 3.49Å; R374-A378 VanDerWaalsContact O-N 3.1Å
375	R	71.9	Confident	70.5	Confident	158 Å²	158	59.7 Å²	59.7	60%	0.596	30%	0.304	S	S	*	.	H	α-helix	trans	-65.2	-42.1	-179.7	-66.9	176.6	-175.3	-157.2	4.4	111.8	E371 F372 R379	E371-R375 WeakPolarHBondContact O-CG 3.32Å; E371-R375 PolarHBondContact O-N 2.96Å; E371-R375 IonicContact OE1-CZ 3.37Å; E371-R375 IonicContact OE1-NE 2.78Å; E371-R375 PolarHBondContact OE1-NE 3.47Å; E371-R375 IonicContact OE1-NH2 3.28Å; E371-R375 PolarHBondContact OE1-NH2 2.94Å; F372-R375 PolarHBondContact O-N 3.48Å; R375-R379 WeakPolarHBondContact O-CG 3.44Å; R375-R379 PolarHBondContact O-N 3.23Å
376	E	69.8	Low	70	Confident	3 Å²	3	57.6 Å²	57.6	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-72.9	-31	179.2	-65	-69	-168.6	0	0	113.2	R331 F372 R379 Y380 W407	R331-E376 IonicContact CZ-OE1 3.03Å; R331-E376 VanDerWaalsContact CZ-OE1 3.23Å; R331-E376 IonicContact NE-OE1 2.75Å; R331-E376 PolarHBondContact NE-OE1 3.12Å; R331-E376 IonicContact NH2-OE1 3.27Å; R331-E376 PolarHBondContact NH2-OE1 3.08Å; F372-E376 HydrophobicContact CD1-CG 4.49Å; F372-E376 HydrophobicContact CD2-CG 4.13Å; F372-E376 HydrophobicContact CE1-CG 4.11Å; F372-E376 HydrophobicContact CE2-CG 3.73Å; F372-E376 WeakPolarHBondContact CE2-OE1 3.46Å; F372-E376 HydrophobicContact CG-CG 4.49Å; F372-E376 HydrophobicContact CZ-CG 3.73Å; F372-E376 WeakPolarHBondContact O-CG 3.34Å; F372-E376 PolarHBondContact O-N 2.79Å; E376-R379 IonicContact OE1-NH1 2.88Å; E376-R379 IonicContact OE2-NH1 2.71Å; E376-Y380 PolarHBondContact O-N 2.82Å; E376-Y380 VanDerWaalsContact O-N 3.08Å; E376-W407 HydrophobicContact CB-CZ2 4.32Å; E376-W407 PolarHBondContact O-NE1 2.92Å; E376-W407 VanDerWaalsContact O-NE1 3.09Å
377	L	70.2	Confident	69.5	Low	54 Å²	54	56.9 Å²	56.9	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-67.4	-46.5	172.2	-76.9	169.3	0	0	0	112	L338 H373 R374 R379 Y380 E381	L338-L377 HydrophobicContact CD2-CD2 3.95Å; H373-L377 WeakPolarHBondContact O-CB 3.17Å; H373-L377 VanDerWaalsContact O-CG 3.25Å; H373-L377 WeakPolarHBondContact O-CG 3.35Å; H373-L377 PolarHBondContact O-N 2.9Å; R374-L377 PolarHBondContact O-N 3.03Å; L377-R379 VanDerWaalsContact C-N 3.28Å; L377-R379 PolarHBondContact O-N 2.96Å; L377-Y380 WeakPolarHBondContact O-CB 3.28Å; L377-Y380 PolarHBondContact O-N 3.19Å; L377-E381 PolarHBondContact O-N 3.28Å
378	A	67.1	Low	68.9	Low	57 Å²	57	59.6 Å²	59.6	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-39.3	176.5	0	0	0	0	0	112	R374 E381 A382	R374-A378 PolarHBondContact O-N 3.49Å; R374-A378 VanDerWaalsContact O-N 3.1Å; A378-E381 PolarHBondContact O-N 2.78Å; A378-A382 WeakPolarHBondContact O-CB 3.3Å; A378-A382 PolarHBondContact O-N 3.49Å
379	R	65.1	Low	67.9	Low	62 Å²	62	59.5 Å²	59.5	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-41.3	172.1	-74.9	172.9	172	-173	-7.3	112.7	G294 R375 E376 L377 L383 Q411	G294-R379 VanDerWaalsContact C-NH2 3.28Å; G294-R379 PolarHBondContact O-NE 3.4Å; G294-R379 PolarHBondContact O-NH2 2.78Å; R375-R379 WeakPolarHBondContact O-CG 3.44Å; R375-R379 PolarHBondContact O-N 3.23Å; E376-R379 IonicContact OE1-NH1 2.88Å; E376-R379 IonicContact OE2-NH1 2.71Å; L377-R379 VanDerWaalsContact C-N 3.28Å; L377-R379 PolarHBondContact O-N 2.96Å; R379-L383 WeakPolarHBondContact O-CB 3.28Å; R379-L383 WeakPolarHBondContact O-CG 3.38Å; R379-L383 PolarHBondContact O-N 3.43Å; R379-Q411 VanDerWaalsContact NH1-CD 3.33Å
380	Y	68.4	Low	67	Low	18 Å²	18	68.1 Å²	68.1	7%	0.071	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-43.5	177.2	178.5	-112.7	0	0	0	112.2	L338 E376 L377 L383 L384 R404 W407	L338-Y380 HydrophobicContact CB-CE1 4.16Å; L338-Y380 HydrophobicContact CD1-CD1 3.74Å; L338-Y380 HydrophobicContact CD1-CD2 4.18Å; L338-Y380 HydrophobicContact CD1-CE1 3.78Å; L338-Y380 HydrophobicContact CD1-CE2 4.23Å; L338-Y380 HydrophobicContact CD1-CG 3.93Å; L338-Y380 HydrophobicContact CD2-CD1 3.97Å; L338-Y380 HydrophobicContact CD2-CE1 3.81Å; L338-Y380 HydrophobicContact CG-CD1 4.4Å; L338-Y380 HydrophobicContact CG-CE1 4.12Å; E376-Y380 PolarHBondContact O-N 2.82Å; E376-Y380 VanDerWaalsContact O-N 3.08Å; L377-Y380 WeakPolarHBondContact O-CB 3.28Å; L377-Y380 PolarHBondContact O-N 3.19Å; Y380-L383 PolarHBondContact O-N 3.11Å; Y380-L384 HydrophobicContact CD1-CD1 3.97Å; Y380-L384 HydrophobicContact CE1-CD1 3.4Å; Y380-L384 VanDerWaalsContact CE1-CD1 3.4Å; Y380-L384 HydrophobicContact CE1-CG 4.33Å; Y380-L384 HydrophobicContact CE2-CD1 4.17Å; Y380-L384 HydrophobicContact CE2-CG 4.25Å; Y380-L384 WeakPolarHBondContact O-CB 3.31Å; Y380-L384 PolarHBondContact O-N 3.05Å; Y380-R404 HydrophobicContact CE2-CG 3.87Å; Y380-R404 WeakPolarHBondContact OH-CG 3.37Å; Y380-W407 HydrophobicContact CD2-CB 4.03Å; Y380-W407 HydrophobicContact CD2-CD2 4.04Å; Y380-W407 AromaticContact CD2-CG 3.81Å; Y380-W407 HydrophobicContact CD2-CG 3.81Å; Y380-W407 HydrophobicContact CG-CG 4.49Å
381	E	69.7	Low	66	Low	135 Å²	135	64.9 Å²	64.9	63%	0.631	31%	0.31	S	S	*	.	H	α-helix	trans	-65.4	-42.5	177.6	-69	178.1	162.5	0	0	111.7	L377 A378 L384 G385	L377-E381 PolarHBondContact O-N 3.28Å; A378-E381 PolarHBondContact O-N 2.78Å; E381-L384 PolarHBondContact O-N 3.22Å; E381-G385 PolarHBondContact O-N 2.64Å
382	A	63.5	Low	64.8	Low	23 Å²	23	66.9 Å²	66.9	19%	0.19	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-43.7	174.9	0	0	0	0	0	112.8	T284 A378 G385 Q386	T284-A382 HydrophobicContact CG2-CB 4Å; A378-A382 WeakPolarHBondContact O-CB 3.3Å; A378-A382 PolarHBondContact O-N 3.49Å; A382-G385 PolarHBondContact O-N 2.95Å; A382-Q386 WeakPolarHBondContact O-CG 3.42Å; A382-Q386 PolarHBondContact O-N 2.69Å; A382-Q386 PolarHBondContact O-NE2 3.25Å
383	L	65.2	Low	63.5	Low	2 Å²	2	73.4 Å²	73.4	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-67.2	-38.3	176.4	-71.6	172.2	0	0	0	111.9	T282 T284 R379 Y380 G385 Q386 Y387 W407	T282-L383 HydrophobicContact CG2-CD1 4.48Å; T282-L383 HydrophobicContact CG2-CD2 4.36Å; T284-L383 HydrophobicContact CG2-CD2 3.89Å; T284-L383 HydrophobicContact CG2-CG 3.95Å; R379-L383 WeakPolarHBondContact O-CB 3.28Å; R379-L383 WeakPolarHBondContact O-CG 3.38Å; R379-L383 PolarHBondContact O-N 3.43Å; Y380-L383 PolarHBondContact O-N 3.11Å; L383-G385 VanDerWaalsContact C-N 3.34Å; L383-G385 PolarHBondContact O-N 3.39Å; L383-Q386 PolarHBondContact O-N 3.33Å; L383-Y387 VanDerWaalsContact O-CD2 3.28Å; L383-Y387 WeakPolarHBondContact O-CD2 3.48Å; L383-Y387 PolarHBondContact O-N 2.84Å; L383-W407 HydrophobicContact CD1-CB 3.8Å; L383-W407 HydrophobicContact CD1-CG 4.4Å
384	L	67.7	Low	62.7	Low	34 Å²	34	74.2 Å²	74.2	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-58.9	-42.8	172.3	-89.2	174.9	0	0	0	112.3	Y380 E381 Q386 Y387 Q388	Y380-L384 HydrophobicContact CD1-CD1 3.97Å; Y380-L384 HydrophobicContact CE1-CD1 3.4Å; Y380-L384 VanDerWaalsContact CE1-CD1 3.4Å; Y380-L384 HydrophobicContact CE1-CG 4.33Å; Y380-L384 HydrophobicContact CE2-CD1 4.17Å; Y380-L384 HydrophobicContact CE2-CG 4.25Å; Y380-L384 WeakPolarHBondContact O-CB 3.31Å; Y380-L384 PolarHBondContact O-N 3.05Å; E381-L384 PolarHBondContact O-N 3.22Å; L384-Q386 VanDerWaalsContact C-N 3.31Å; L384-Q386 PolarHBondContact O-N 2.83Å; L384-Y387 PolarHBondContact O-N 2.75Å; L384-Q388 WeakPolarHBondContact O-CB 2.89Å; L384-Q388 VanDerWaalsContact O-CG 3.22Å; L384-Q388 WeakPolarHBondContact O-CG 2.99Å; L384-Q388 PolarHBondContact O-N 2.86Å; L384-Q388 PolarHBondContact O-NE2 2.91Å
385	G	64.3	Low	62.6	Low	38 Å²	38	67.1 Å²	67.1	39%	0.392	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-38.1	175.9	0	0	0	0	0	113.2	E381 A382 L383 S389	E381-G385 PolarHBondContact O-N 2.64Å; A382-G385 PolarHBondContact O-N 2.95Å; L383-G385 VanDerWaalsContact C-N 3.34Å; L383-G385 PolarHBondContact O-N 3.39Å; G385-S389 WeakPolarHBondContact O-CB 3.45Å; G385-S389 PolarHBondContact O-N 2.8Å; G385-S389 VanDerWaalsContact O-N 3.17Å; G385-S389 PolarHBondContact O-OG 3.27Å
386	Q	65.2	Low	62.4	Low	13 Å²	13	64.2 Å²	64.2	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-68.5	-45.1	177.2	-71.9	165.6	78.1	0	0	112.8	I283 T285 A382 L383 L384 Q388 S389 R390	I283-Q386 PolarHBondContact O-OE1 3.31Å; T285-Q386 WeakPolarHBondContact O-CG 3.32Å; T285-Q386 PolarHBondContact O-NE2 2.71Å; T285-Q386 PolarHBondContact OG1-OE1 3.42Å; A382-Q386 WeakPolarHBondContact O-CG 3.42Å; A382-Q386 PolarHBondContact O-N 2.69Å; A382-Q386 PolarHBondContact O-NE2 3.25Å; L383-Q386 PolarHBondContact O-N 3.33Å; L384-Q386 VanDerWaalsContact C-N 3.31Å; L384-Q386 PolarHBondContact O-N 2.83Å; Q386-Q388 VanDerWaalsContact C-N 3.34Å; Q386-Q388 PolarHBondContact O-N 3.45Å; Q386-S389 WeakPolarHBondContact CA-OG 3.43Å; Q386-S389 PolarHBondContact O-N 2.73Å; Q386-S389 PolarHBondContact O-OG 2.76Å; Q386-R390 WeakPolarHBondContact O-CB 3.41Å; Q386-R390 PolarHBondContact O-N 2.97Å
387	Y	63.1	Low	62.7	Low	40 Å²	40	65.9 Å²	65.9	16%	0.157	35%	0.352	C	S	.	.	H	α-helix	trans	-73.9	-25	178.3	-74	-68.1	0	0	0	113.6	L383 L384 S389 V391 R402 D406	L383-Y387 VanDerWaalsContact O-CD2 3.28Å; L383-Y387 WeakPolarHBondContact O-CD2 3.48Å; L383-Y387 PolarHBondContact O-N 2.84Å; L384-Y387 PolarHBondContact O-N 2.75Å; Y387-S389 VanDerWaalsContact C-N 3.31Å; Y387-V391 HydrophobicContact CD1-CG2 4.18Å; Y387-R402 VanDerWaalsContact CD1-CD 3.44Å; Y387-R402 HydrophobicContact CD1-CG 3.7Å; Y387-R402 HydrophobicContact CE1-CG 3.72Å; Y387-R402 HydrophobicContact CG-CG 4.24Å; Y387-D406 HydrophobicContact CE2-CB 3.62Å; Y387-D406 PolarHBondContact OH-OD1 2.75Å; Y387-D406 VanDerWaalsContact OH-OD1 3.08Å
388	Q	62.4	Low	63.2	Low	133 Å²	133	65.6 Å²	65.6	62%	0.621	35%	0.349	S	S	*	.	H	α-helix	trans	-70.3	-25.7	168.6	-73.9	176.1	50.9	0	0	113.1	L384 Q386	L384-Q388 WeakPolarHBondContact O-CB 2.89Å; L384-Q388 VanDerWaalsContact O-CG 3.22Å; L384-Q388 WeakPolarHBondContact O-CG 2.99Å; L384-Q388 PolarHBondContact O-N 2.86Å; L384-Q388 PolarHBondContact O-NE2 2.91Å; Q386-Q388 VanDerWaalsContact C-N 3.34Å; Q386-Q388 PolarHBondContact O-N 3.45Å
389	S	52.4	Low	63.4	Low	67 Å²	67	66.7 Å²	66.7	47%	0.469	34%	0.341	S	S	.	.	H	α-helix	trans	-98.2	-35.5	-177.6	53.5	0	0	0	0	114.8	G385 Q386 Y387	G385-S389 WeakPolarHBondContact O-CB 3.45Å; G385-S389 PolarHBondContact O-N 2.8Å; G385-S389 VanDerWaalsContact O-N 3.17Å; G385-S389 PolarHBondContact O-OG 3.27Å; Q386-S389 WeakPolarHBondContact CA-OG 3.43Å; Q386-S389 PolarHBondContact O-N 2.73Å; Q386-S389 PolarHBondContact O-OG 2.76Å; Y387-S389 VanDerWaalsContact C-N 3.31Å
390	R	53.5	Low	63.9	Low	181 Å²	181	67.7 Å²	67.7	68%	0.683	35%	0.348	S	S	*	.	H	α-helix	trans	-86.4	-12.7	-174.9	-77.9	-174.4	171.4	166.4	2.7	116.5	T285 Q386	T285-R390 PolarHBondContact OG1-NH2 3.45Å; Q386-R390 WeakPolarHBondContact O-CB 3.41Å; Q386-R390 PolarHBondContact O-N 2.97Å
391	V	52.1	Low	64.3	Low	21 Å²	21	66.9 Å²	66.9	13%	0.127	35%	0.345	C	S	.	.			trans	-120.8	97.2	-171.2	-167.2	0	0	0	0	111.9	Y387 T394 R399	Y387-V391 HydrophobicContact CD1-CG2 4.18Å; V391-T394 HydrophobicContact CG1-CG2 3.79Å; V391-T394 VanDerWaalsContact CG1-OG1 3.27Å; V391-T394 WeakPolarHBondContact CG1-OG1 3.45Å; V391-R399 VanDerWaalsContact O-CZ 3.3Å; V391-R399 PolarHBondContact O-NH1 2.91Å; V391-R399 VanDerWaalsContact O-NH1 3.12Å
392	Q	46.1	Very low	64.6	Low	136 Å²	136	61.3 Å²	61.3	64%	0.636	32%	0.318	S	S	*	.	S	Bend	trans	-76	-36.9	-179.9	-73.5	178.9	-67.9	0	0	113.1	R399 E1754	Q392-R399 PolarHBondContact O-NH2 3.39Å; Q392-E1754 PolarHBondContact NE2-OE1 3.47Å; Q392-E1754 VanDerWaalsContact NE2-OE1 3.09Å
393	D	50.2	Low	64.8	Low	160 Å²	160	60.2 Å²	60.2	86%	0.856	31%	0.309	S	S	*	.	S	Bend	trans	-101.9	9.9	-164.1	-68.2	-57.3	0	0	0	118.5
394	T	57.8	Low	65.3	Low	30 Å²	30	60.1 Å²	60.1	18%	0.184	31%	0.309	C	S	.	.	S	Bend	trans	-103.9	156.4	175.7	60.9	0	0	0	0	113.2	V391 R399	V391-T394 HydrophobicContact CG1-CG2 3.79Å; V391-T394 VanDerWaalsContact CG1-OG1 3.27Å; V391-T394 WeakPolarHBondContact CG1-OG1 3.45Å; T394-R399 VanDerWaalsContact O-CZ 3.25Å; T394-R399 PolarHBondContact O-NE 2.82Å; T394-R399 PolarHBondContact O-NH2 2.93Å; T394-R399 WeakPolarHBondContact OG1-CG 3.19Å
395	S	70	Confident	65.7	Low	45 Å²	45	58.7 Å²	58.7	32%	0.315	30%	0.301	S	S	.	.			trans	-65.2	157.6	176.5	66.3	0	0	0	0	112.1	W397 Q398 R399	S395-W397 VanDerWaalsContact C-N 3.31Å; S395-W397 PolarHBondContact O-N 3.35Å; S395-W397 PolarHBondContact OG-NE1 3.02Å; S395-W397 VanDerWaalsContact OG-NE1 3.15Å; S395-Q398 WeakPolarHBondContact O-CB 3.43Å; S395-Q398 PolarHBondContact O-N 3.48Å; S395-Q398 VanDerWaalsContact O-N 3.07Å; S395-Q398 VanDerWaalsContact OG-CD 3.25Å; S395-Q398 VanDerWaalsContact OG-CG 3.29Å; S395-Q398 WeakPolarHBondContact OG-CG 3.32Å; S395-Q398 PolarHBondContact OG-OE1 3.42Å; S395-R399 PolarHBondContact O-N 2.73Å
396	S	67.7	Low	65.8	Low	97 Å²	97	57 Å²	57	68%	0.678	28%	0.283	S	S	*	.	H	α-helix	trans	-57.8	-40.5	-174.8	48.6	0	0	0	0	113.3	R399 Q400	S396-R399 PolarHBondContact O-N 2.67Å; S396-Q400 PolarHBondContact O-N 2.76Å; S396-Q400 VanDerWaalsContact O-N 3.13Å
397	W	76	Confident	66.1	Low	37 Å²	37	56.5 Å²	56.5	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-36.9	176.4	73.3	-99	0	0	0	112.4	S395 R399 Q400 E401 H437 I439 L444 F447	S395-W397 VanDerWaalsContact C-N 3.31Å; S395-W397 PolarHBondContact O-N 3.35Å; S395-W397 PolarHBondContact OG-NE1 3.02Å; S395-W397 VanDerWaalsContact OG-NE1 3.15Å; W397-R399 VanDerWaalsContact C-N 3.34Å; W397-R399 PolarHBondContact O-N 3.07Å; W397-Q400 PolarHBondContact O-N 3.36Å; W397-E401 HydrophobicContact CE3-CG 4.18Å; W397-E401 WeakPolarHBondContact O-CB 3Å; W397-E401 PolarHBondContact O-N 3.18Å; W397-H437 HydrophobicContact CB-CB 3.69Å; W397-H437 VanDerWaalsContact CB-CG 3.41Å; W397-H437 WeakPolarHBondContact CB-ND1 3.12Å; W397-H437 HydrophobicContact CD2-CB 4.47Å; W397-H437 HydrophobicContact CG-CB 3.94Å; W397-I439 HydrophobicContact CD2-CD1 3.8Å; W397-I439 HydrophobicContact CE3-CD1 3.68Å; W397-I439 HydrophobicContact CH2-CD1 3.65Å; W397-I439 HydrophobicContact CZ2-CD1 3.76Å; W397-I439 HydrophobicContact CZ2-CG2 3.95Å; W397-I439 HydrophobicContact CZ3-CD1 3.59Å; W397-L444 HydrophobicContact CE3-CD1 4.4Å; W397-L444 HydrophobicContact CZ3-CD1 3.92Å; W397-F447 HydrophobicContact CH2-CB 3.99Å; W397-F447 AromaticContact CH2-CD1 4Å; W397-F447 HydrophobicContact CH2-CD1 4Å; W397-F447 AromaticContact CH2-CG 3.88Å; W397-F447 HydrophobicContact CH2-CG 3.88Å; W397-F447 HydrophobicContact CZ3-CB 4.31Å; W397-F447 AromaticContact CZ3-CD1 3.57Å; W397-F447 HydrophobicContact CZ3-CD1 3.57Å; W397-F447 HydrophobicContact CZ3-CE1 4.1Å; W397-F447 AromaticContact CZ3-CG 3.96Å; W397-F447 HydrophobicContact CZ3-CG 3.96Å
398	Q	79.9	Confident	66.4	Low	48 Å²	48	54.9 Å²	54.9	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-35.8	175.3	-72.2	170.1	-51.3	0	0	112.1	S395 R402 F447	S395-Q398 WeakPolarHBondContact O-CB 3.43Å; S395-Q398 PolarHBondContact O-N 3.48Å; S395-Q398 VanDerWaalsContact O-N 3.07Å; S395-Q398 VanDerWaalsContact OG-CD 3.25Å; S395-Q398 VanDerWaalsContact OG-CG 3.29Å; S395-Q398 WeakPolarHBondContact OG-CG 3.32Å; S395-Q398 PolarHBondContact OG-OE1 3.42Å; Q398-R402 WeakPolarHBondContact O-CB 3.09Å; Q398-R402 PolarHBondContact O-N 3.04Å; Q398-F447 HydrophobicContact CB-CE1 4.24Å; Q398-F447 HydrophobicContact CB-CE2 4.12Å; Q398-F447 HydrophobicContact CB-CZ 3.71Å; Q398-F447 HydrophobicContact CG-CD2 4.18Å; Q398-F447 HydrophobicContact CG-CE1 4.13Å; Q398-F447 HydrophobicContact CG-CE2 3.75Å; Q398-F447 HydrophobicContact CG-CZ 3.73Å
399	R	72.1	Confident	66.5	Low	80 Å²	80	48.9 Å²	48.9	30%	0.302	25%	0.247	S	C	.	.	H	α-helix	trans	-65.2	-42.9	173.6	-62.1	179.8	-148.1	-156.2	-2.1	111.4	V391 Q392 T394 S395 S396 W397 G403	V391-R399 VanDerWaalsContact O-CZ 3.3Å; V391-R399 PolarHBondContact O-NH1 2.91Å; V391-R399 VanDerWaalsContact O-NH1 3.12Å; Q392-R399 PolarHBondContact O-NH2 3.39Å; T394-R399 VanDerWaalsContact O-CZ 3.25Å; T394-R399 PolarHBondContact O-NE 2.82Å; T394-R399 PolarHBondContact O-NH2 2.93Å; T394-R399 WeakPolarHBondContact OG1-CG 3.19Å; S395-R399 PolarHBondContact O-N 2.73Å; S396-R399 PolarHBondContact O-N 2.67Å; W397-R399 VanDerWaalsContact C-N 3.34Å; W397-R399 PolarHBondContact O-N 3.07Å; R399-G403 PolarHBondContact O-N 3.29Å; R399-G403 VanDerWaalsContact O-N 3.13Å
400	Q	74.1	Confident	66.9	Low	83 Å²	83	47.1 Å²	47.1	39%	0.388	23%	0.231	S	C	.	.	H	α-helix	trans	-66.7	-48.1	178.9	-168.8	172.5	5.4	0	0	111.6	S396 W397 G403 R404	S396-Q400 PolarHBondContact O-N 2.76Å; S396-Q400 VanDerWaalsContact O-N 3.13Å; W397-Q400 PolarHBondContact O-N 3.36Å; Q400-G403 PolarHBondContact O-N 3.46Å; Q400-R404 WeakPolarHBondContact O-CG 3.45Å; Q400-R404 PolarHBondContact O-N 3.32Å; Q400-R404 VanDerWaalsContact O-N 3.13Å
401	E	77.4	Confident	67	Low	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-38.9	176.1	-75.6	-64.1	96.8	0	0	112.5	W397 R404 L405 L444 F447 Q448	W397-E401 HydrophobicContact CE3-CG 4.18Å; W397-E401 WeakPolarHBondContact O-CB 3Å; W397-E401 PolarHBondContact O-N 3.18Å; E401-R404 PolarHBondContact O-N 2.94Å; E401-R404 WeakPolarHBondContact OE1-CD 3.35Å; E401-R404 IonicContact OE1-CZ 2.86Å; E401-R404 IonicContact OE1-NE 3.77Å; E401-R404 IonicContact OE1-NH1 2.62Å; E401-R404 PolarHBondContact OE1-NH1 2.98Å; E401-R404 IonicContact OE2-NH1 2.67Å; E401-L405 WeakPolarHBondContact O-CB 3.15Å; E401-L405 VanDerWaalsContact O-CG 3.31Å; E401-L405 WeakPolarHBondContact O-CG 3.48Å; E401-L405 PolarHBondContact O-N 3.29Å; E401-L444 HydrophobicContact CG-CD1 3.98Å; E401-F447 HydrophobicContact CB-CE1 4.07Å; E401-Q448 PolarHBondContact OE2-NE2 2.89Å; E401-Q448 VanDerWaalsContact OE2-NE2 3.13Å
402	R	75	Confident	67.2	Low	18 Å²	18	38.7 Å²	38.7	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-48.7	175.2	175.4	178	-90.9	165.1	3	111.4	Y387 Q398 R404 L405 D406 E451	Y387-R402 VanDerWaalsContact CD1-CD 3.44Å; Y387-R402 HydrophobicContact CD1-CG 3.7Å; Y387-R402 HydrophobicContact CE1-CG 3.72Å; Y387-R402 HydrophobicContact CG-CG 4.24Å; Q398-R402 WeakPolarHBondContact O-CB 3.09Å; Q398-R402 PolarHBondContact O-N 3.04Å; R402-R404 VanDerWaalsContact C-N 3.3Å; R402-R404 PolarHBondContact O-N 2.77Å; R402-L405 PolarHBondContact O-N 2.8Å; R402-D406 VanDerWaalsContact O-CB 3.28Å; R402-D406 WeakPolarHBondContact O-CB 3.46Å; R402-D406 PolarHBondContact O-N 2.87Å; R402-E451 IonicContact CZ-OE1 2.69Å; R402-E451 VanDerWaalsContact CZ-OE1 3.27Å; R402-E451 IonicContact CZ-OE2 3.05Å; R402-E451 IonicContact NE-OE1 3.4Å; R402-E451 PolarHBondContact NE-OE1 2.87Å; R402-E451 IonicContact NE-OE2 3.51Å; R402-E451 PolarHBondContact NE-OE2 2.79Å; R402-E451 VanDerWaalsContact NH2-CD 3.27Å; R402-E451 IonicContact NH2-OE1 3.61Å; R402-E451 PolarHBondContact NH2-OE1 3.15Å; R402-E451 IonicContact NH2-OE2 2.66Å; R402-E451 PolarHBondContact NH2-OE2 2.65Å
403	G	69.4	Low	67.3	Low	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-32.7	177.9	0	0	0	0	0	113.7	R399 Q400 W407	R399-G403 PolarHBondContact O-N 3.29Å; R399-G403 VanDerWaalsContact O-N 3.13Å; Q400-G403 PolarHBondContact O-N 3.46Å; G403-W407 WeakPolarHBondContact O-CB 3.5Å; G403-W407 PolarHBondContact O-N 2.82Å
404	R	74.3	Confident	67.8	Low	1 Å²	1	26.5 Å²	26.5	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-70.2	-48.9	173.4	-72.1	179.1	72.1	-154.9	15.1	112.9	F335 T339 Y380 Q400 E401 R402 D406 W407 L408	F335-R404 HydrophobicContact CE2-CB 3.76Å; F335-R404 WeakPolarHBondContact CE2-O 3.22Å; F335-R404 HydrophobicContact CZ-CB 4Å; F335-R404 PolarHBondContact O-NH2 2.79Å; T339-R404 PolarHBondContact OG1-NH2 3.1Å; Y380-R404 HydrophobicContact CE2-CG 3.87Å; Y380-R404 WeakPolarHBondContact OH-CG 3.37Å; Q400-R404 WeakPolarHBondContact O-CG 3.45Å; Q400-R404 PolarHBondContact O-N 3.32Å; Q400-R404 VanDerWaalsContact O-N 3.13Å; E401-R404 PolarHBondContact O-N 2.94Å; E401-R404 WeakPolarHBondContact OE1-CD 3.35Å; E401-R404 IonicContact OE1-CZ 2.86Å; E401-R404 IonicContact OE1-NE 3.77Å; E401-R404 IonicContact OE1-NH1 2.62Å; E401-R404 PolarHBondContact OE1-NH1 2.98Å; E401-R404 IonicContact OE2-NH1 2.67Å; R402-R404 VanDerWaalsContact C-N 3.3Å; R402-R404 PolarHBondContact O-N 2.77Å; R404-D406 VanDerWaalsContact C-N 3.32Å; R404-D406 PolarHBondContact O-N 2.91Å; R404-W407 PolarHBondContact O-N 3.44Å; R404-L408 PolarHBondContact O-N 2.86Å; R404-L408 VanDerWaalsContact O-N 3.08Å
405	L	75.8	Confident	67.9	Low	4 Å²	4	26.4 Å²	26.4	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-56.5	-50.1	176.6	-75.7	171.4	0	0	0	109.9	E401 R402 W407 L408 I409 Q448 E451 L452	E401-L405 WeakPolarHBondContact O-CB 3.15Å; E401-L405 VanDerWaalsContact O-CG 3.31Å; E401-L405 WeakPolarHBondContact O-CG 3.48Å; E401-L405 PolarHBondContact O-N 3.29Å; R402-L405 PolarHBondContact O-N 2.8Å; L405-W407 PolarHBondContact O-N 3.12Å; L405-L408 WeakPolarHBondContact O-CA 3.25Å; L405-L408 WeakPolarHBondContact O-CB 3.26Å; L405-L408 PolarHBondContact O-N 3.36Å; L405-I409 HydrophobicContact CB-CD1 4.06Å; L405-I409 WeakPolarHBondContact O-CB 3.42Å; L405-I409 VanDerWaalsContact O-CD1 3.24Å; L405-I409 WeakPolarHBondContact O-CD1 3.31Å; L405-I409 WeakPolarHBondContact O-CG1 3.23Å; L405-I409 PolarHBondContact O-N 3.42Å; L405-Q448 HydrophobicContact CD1-CB 4.45Å; L405-Q448 HydrophobicContact CD1-CG 4.11Å; L405-Q448 HydrophobicContact CD2-CG 4.17Å; L405-E451 HydrophobicContact CD1-CB 4.07Å; L405-E451 HydrophobicContact CD1-CG 4Å; L405-L452 HydrophobicContact CD2-CD1 4.25Å
406	D	67.7	Low	67.6	Low	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-45	-177.1	-174.4	76.5	0	0	0	112.7	Y387 R402 R404 L408 I409 H410 L455 F459	Y387-D406 HydrophobicContact CE2-CB 3.62Å; Y387-D406 PolarHBondContact OH-OD1 2.75Å; Y387-D406 VanDerWaalsContact OH-OD1 3.08Å; R402-D406 VanDerWaalsContact O-CB 3.28Å; R402-D406 WeakPolarHBondContact O-CB 3.46Å; R402-D406 PolarHBondContact O-N 2.87Å; R404-D406 VanDerWaalsContact C-N 3.32Å; R404-D406 PolarHBondContact O-N 2.91Å; D406-L408 VanDerWaalsContact C-N 3.31Å; D406-L408 PolarHBondContact O-N 3.39Å; D406-I409 PolarHBondContact O-N 3.07Å; D406-H410 VanDerWaalsContact CG-ND1 3.26Å; D406-H410 VanDerWaalsContact O-CB 3.31Å; D406-H410 WeakPolarHBondContact O-CB 3.27Å; D406-H410 PolarHBondContact O-N 3.5Å; D406-H410 PolarHBondContact O-ND1 3.31Å; D406-H410 IonicContact OD1-CE1 2.72Å; D406-H410 PolarHBondContact OD1-CE1 2.89Å; D406-H410 IonicContact OD1-ND1 2.85Å; D406-H410 PolarHBondContact OD1-ND1 3.38Å; D406-H410 IonicContact OD2-CE1 3.28Å; D406-H410 PolarHBondContact OD2-CE1 2.98Å; D406-H410 IonicContact OD2-ND1 2.85Å; D406-H410 PolarHBondContact OD2-ND1 2.79Å; D406-L455 HydrophobicContact CB-CD1 4.46Å; D406-F459 WeakPolarHBondContact OD1-CZ 3.37Å
407	W	70.9	Confident	67.6	Low	3 Å²	3	31.7 Å²	31.7	1%	0.011	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-38.7	172.1	172.8	85.3	0	0	0	112.9	R331 L334 F335 E376 Y380 L383 G403 R404 L405	R331-W407 HydrophobicContact CB-CH2 4.4Å; L334-W407 HydrophobicContact CB-CH2 3.76Å; L334-W407 HydrophobicContact CB-CZ2 4.4Å; F335-W407 HydrophobicContact CB-CZ3 3.89Å; F335-W407 HydrophobicContact CD2-CE3 4.17Å; F335-W407 HydrophobicContact CD2-CZ3 4.05Å; F335-W407 HydrophobicContact CG-CZ3 4.48Å; E376-W407 HydrophobicContact CB-CZ2 4.32Å; E376-W407 PolarHBondContact O-NE1 2.92Å; E376-W407 VanDerWaalsContact O-NE1 3.09Å; Y380-W407 HydrophobicContact CD2-CB 4.03Å; Y380-W407 HydrophobicContact CD2-CD2 4.04Å; Y380-W407 AromaticContact CD2-CG 3.81Å; Y380-W407 HydrophobicContact CD2-CG 3.81Å; Y380-W407 HydrophobicContact CG-CG 4.49Å; L383-W407 HydrophobicContact CD1-CB 3.8Å; L383-W407 HydrophobicContact CD1-CG 4.4Å; G403-W407 WeakPolarHBondContact O-CB 3.5Å; G403-W407 PolarHBondContact O-N 2.82Å; R404-W407 PolarHBondContact O-N 3.44Å; L405-W407 PolarHBondContact O-N 3.12Å
408	L	69.9	Low	67.2	Low	6 Å²	6	31.3 Å²	31.3	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-69.6	-39.2	178	-172.9	69.4	0	0	0	112.3	F335 R404 L405 D406 N412 F414 W422	F335-L408 HydrophobicContact CB-CD1 4.29Å; F335-L408 HydrophobicContact CD2-CB 3.81Å; F335-L408 HydrophobicContact CD2-CD1 3.9Å; F335-L408 HydrophobicContact CD2-CD2 3.84Å; F335-L408 HydrophobicContact CD2-CG 4.05Å; F335-L408 HydrophobicContact CE2-CB 3.92Å; F335-L408 HydrophobicContact CE2-CD2 3.83Å; F335-L408 HydrophobicContact CE2-CG 4.34Å; F335-L408 HydrophobicContact CG-CD1 4.35Å; F335-L408 HydrophobicContact CG-CD2 4.46Å; F335-L408 HydrophobicContact CZ-CD2 4.5Å; R404-L408 PolarHBondContact O-N 2.86Å; R404-L408 VanDerWaalsContact O-N 3.08Å; L405-L408 WeakPolarHBondContact O-CA 3.25Å; L405-L408 WeakPolarHBondContact O-CB 3.26Å; L405-L408 PolarHBondContact O-N 3.36Å; D406-L408 VanDerWaalsContact C-N 3.31Å; D406-L408 PolarHBondContact O-N 3.39Å; L408-N412 WeakPolarHBondContact O-CB 3.29Å; L408-N412 PolarHBondContact O-ND2 3.05Å; L408-F414 HydrophobicContact CD1-CE2 3.79Å; L408-F414 HydrophobicContact CD1-CZ 4.19Å; L408-F414 HydrophobicContact CD2-CD2 4.47Å; L408-F414 HydrophobicContact CD2-CE2 3.92Å; L408-F414 HydrophobicContact CD2-CZ 3.98Å; L408-F414 HydrophobicContact CG-CD2 4.08Å; L408-F414 HydrophobicContact CG-CE2 3.53Å; L408-F414 HydrophobicContact CG-CZ 4.06Å; L408-W422 HydrophobicContact CD2-CZ2 3.98Å
409	I	64.7	Low	66.7	Low	8 Å²	8	29.8 Å²	29.8	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-73.9	-50.2	-175.6	-67.6	157	0	0	0	110.7	F315 L405 D406 Q411 N412 G413 L452 L455 F459	F315-I409 HydrophobicContact CE1-CG2 4.2Å; L405-I409 HydrophobicContact CB-CD1 4.06Å; L405-I409 WeakPolarHBondContact O-CB 3.42Å; L405-I409 VanDerWaalsContact O-CD1 3.24Å; L405-I409 WeakPolarHBondContact O-CD1 3.31Å; L405-I409 WeakPolarHBondContact O-CG1 3.23Å; L405-I409 PolarHBondContact O-N 3.42Å; D406-I409 PolarHBondContact O-N 3.07Å; I409-Q411 PolarHBondContact O-N 2.79Å; I409-N412 PolarHBondContact O-N 3.19Å; I409-G413 PolarHBondContact O-N 3.3Å; I409-L452 HydrophobicContact CD1-CD2 3.31Å; I409-L452 HydrophobicContact CD1-CG 3.81Å; I409-L452 HydrophobicContact CG1-CD2 3.71Å; I409-L455 HydrophobicContact CD1-CD1 3.47Å; I409-L455 VanDerWaalsContact CD1-CD1 3.47Å; I409-F459 HydrophobicContact CG2-CD2 4.25Å; I409-F459 HydrophobicContact CG2-CE2 3.78Å
410	H	60.4	Low	66.8	Low	30 Å²	30	29.7 Å²	29.7	14%	0.139	16%	0.157	C	C	.	.	H	α-helix	trans	-54.5	-23.4	-178.2	-95.2	124.1	0	0	0	114.9	T282 D406 F459	T282-H410 HydrophobicContact CG2-CB 4.17Å; T282-H410 PolarHBondContact OG1-CD2 2.85Å; T282-H410 VanDerWaalsContact OG1-CD2 3.24Å; D406-H410 VanDerWaalsContact CG-ND1 3.26Å; D406-H410 VanDerWaalsContact O-CB 3.31Å; D406-H410 WeakPolarHBondContact O-CB 3.27Å; D406-H410 PolarHBondContact O-N 3.5Å; D406-H410 PolarHBondContact O-ND1 3.31Å; D406-H410 IonicContact OD1-CE1 2.72Å; D406-H410 PolarHBondContact OD1-CE1 2.89Å; D406-H410 IonicContact OD1-ND1 2.85Å; D406-H410 PolarHBondContact OD1-ND1 3.38Å; D406-H410 IonicContact OD2-CE1 3.28Å; D406-H410 PolarHBondContact OD2-CE1 2.98Å; D406-H410 IonicContact OD2-ND1 2.85Å; D406-H410 PolarHBondContact OD2-ND1 2.79Å; H410-F459 AromaticContact CD2-CE1 3.77Å; H410-F459 AromaticContact CD2-CZ 3.86Å; H410-F459 AromaticContact CE1-CE1 3.56Å; H410-F459 AromaticContact CE1-CZ 3.44Å; H410-F459 VanDerWaalsContact CE1-CZ 3.44Å; H410-F459 WeakPolarHBondContact CE1-CZ 3.31Å; H410-F459 AromaticContact ND1-CZ 3.78Å; H410-F459 AromaticContact NE2-CE1 3.22Å; H410-F459 WeakPolarHBondContact NE2-CE1 3.31Å; H410-F459 AromaticContact NE2-CZ 3.53Å
411	Q	55.9	Low	66.9	Low	3 Å²	3	31 Å²	31	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-109.3	-17.8	-174.3	-56.9	-59.3	-32.5	0	0	114.6	T282 S296 R331 R379 I409	T282-Q411 PolarHBondContact OG1-NE2 3.25Å; S296-Q411 WeakPolarHBondContact CB-O 3.23Å; S296-Q411 PolarHBondContact OG-O 3.08Å; R331-Q411 PolarHBondContact NH1-O 3.07Å; R379-Q411 VanDerWaalsContact NH1-CD 3.33Å; I409-Q411 PolarHBondContact O-N 2.79Å
412	N	55.7	Low	66.7	Low	21 Å²	21	31.4 Å²	31.4	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-126.6	-4	-166	-62	-65.2	0	0	0	116.1	R331 L408 I409 F414	R331-N412 WeakPolarHBondContact CD-OD1 3.38Å; L408-N412 WeakPolarHBondContact O-CB 3.29Å; L408-N412 PolarHBondContact O-ND2 3.05Å; I409-N412 PolarHBondContact O-N 3.19Å; N412-F414 HydrophobicContact CB-CD2 3.65Å; N412-F414 HydrophobicContact CB-CE2 3.54Å; N412-F414 PolarHBondContact O-N 3.5Å
413	G	48.1	Very low	66.9	Low	29 Å²	29	30.6 Å²	30.6	30%	0.299	16%	0.157	S	C	.	.			trans	63.7	39.1	173.6	0	0	0	0	0	114.6	I409 T415	I409-G413 PolarHBondContact O-N 3.3Å; G413-T415 PolarHBondContact O-N 3.21Å
414	F	61.4	Low	67.4	Low	11 Å²	11	36 Å²	36	5%	0.048	19%	0.186	C	C	.	.			trans	-59.2	121.8	-172.8	-93.1	-93.8	0	0	0	113.5	E332 L408 N412 D418 I419 W422	E332-F414 HydrophobicContact CG-CZ 4.27Å; L408-F414 HydrophobicContact CD1-CE2 3.79Å; L408-F414 HydrophobicContact CD1-CZ 4.19Å; L408-F414 HydrophobicContact CD2-CD2 4.47Å; L408-F414 HydrophobicContact CD2-CE2 3.92Å; L408-F414 HydrophobicContact CD2-CZ 3.98Å; L408-F414 HydrophobicContact CG-CD2 4.08Å; L408-F414 HydrophobicContact CG-CE2 3.53Å; L408-F414 HydrophobicContact CG-CZ 4.06Å; N412-F414 HydrophobicContact CB-CD2 3.65Å; N412-F414 HydrophobicContact CB-CE2 3.54Å; N412-F414 PolarHBondContact O-N 3.5Å; F414-D418 HydrophobicContact CD1-CB 3.44Å; F414-D418 VanDerWaalsContact CD1-CB 3.44Å; F414-D418 HydrophobicContact CE1-CB 3.9Å; F414-D418 HydrophobicContact CG-CB 4.31Å; F414-I419 HydrophobicContact CB-CD1 4.25Å; F414-I419 HydrophobicContact CB-CG1 4.21Å; F414-I419 HydrophobicContact CD1-CG1 4Å; F414-W422 HydrophobicContact CE1-CB 4.28Å; F414-W422 HydrophobicContact CE1-CG 4.36Å
415	T	59.5	Low	67.5	Low	28 Å²	28	41.4 Å²	41.4	17%	0.172	21%	0.211	C	C	.	.			trans	-82.3	161.9	167.5	72.7	0	0	0	0	111.5	G316 G413 Q417 D418 I419	G316-T415 VanDerWaalsContact CA-CG2 3.48Å; G413-T415 PolarHBondContact O-N 3.21Å; T415-Q417 PolarHBondContact O-N 3.46Å; T415-Q417 VanDerWaalsContact O-N 3.15Å; T415-Q417 PolarHBondContact OG1-N 3.47Å; T415-D418 WeakPolarHBondContact CB-OD2 3.35Å; T415-D418 WeakPolarHBondContact CG2-OD2 3.05Å; T415-D418 PolarHBondContact N-OD2 2.83Å; T415-D418 WeakPolarHBondContact O-CB 3.24Å; T415-D418 PolarHBondContact O-N 2.77Å; T415-D418 PolarHBondContact OG1-N 3.11Å; T415-D418 PolarHBondContact OG1-OD2 2.79Å; T415-I419 VanDerWaalsContact O-CD1 3.28Å; T415-I419 WeakPolarHBondContact O-CD1 3.45Å; T415-I419 WeakPolarHBondContact O-CG1 3.32Å; T415-I419 PolarHBondContact O-N 3.29Å
416	V	62.7	Low	67.4	Low	111 Å²	111	42.1 Å²	42.1	67%	0.673	22%	0.215	S	C	*	.	H	α-helix	trans	-53	-35.4	172.1	-178	0	0	0	0	111.7	I419 E420	V416-I419 PolarHBondContact O-N 2.93Å; V416-E420 WeakPolarHBondContact O-CG 3.41Å; V416-E420 PolarHBondContact O-N 3.26Å
417	Q	68.3	Low	67.9	Low	142 Å²	142	43.6 Å²	43.6	66%	0.664	23%	0.228	S	C	*	.	H	α-helix	trans	-72.2	-38.2	176.5	-64.9	-177.3	-0.3	0	0	112.7	T415 I419 E420 R421	T415-Q417 PolarHBondContact O-N 3.46Å; T415-Q417 VanDerWaalsContact O-N 3.15Å; T415-Q417 PolarHBondContact OG1-N 3.47Å; Q417-I419 VanDerWaalsContact C-N 3.26Å; Q417-I419 PolarHBondContact O-N 3.01Å; Q417-E420 PolarHBondContact O-N 3.15Å; Q417-R421 VanDerWaalsContact O-CB 3.25Å; Q417-R421 WeakPolarHBondContact O-CB 3.13Å; Q417-R421 PolarHBondContact O-N 3.48Å
418	D	67.1	Low	68.3	Low	30 Å²	30	53.8 Å²	53.8	16%	0.16	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-38.1	170.9	-69.9	-84.5	0	0	0	111.1	R328 F414 T415 W422	R328-D418 IonicContact CZ-OD1 3.82Å; R328-D418 VanDerWaalsContact CZ-OD1 3.26Å; R328-D418 IonicContact NH1-OD1 2.62Å; R328-D418 PolarHBondContact NH1-OD1 3.14Å; R328-D418 IonicContact NH2-OD1 2.68Å; R328-D418 PolarHBondContact NH2-OD1 2.7Å; F414-D418 HydrophobicContact CD1-CB 3.44Å; F414-D418 VanDerWaalsContact CD1-CB 3.44Å; F414-D418 HydrophobicContact CE1-CB 3.9Å; F414-D418 HydrophobicContact CG-CB 4.31Å; T415-D418 WeakPolarHBondContact CB-OD2 3.35Å; T415-D418 WeakPolarHBondContact CG2-OD2 3.05Å; T415-D418 PolarHBondContact N-OD2 2.83Å; T415-D418 WeakPolarHBondContact O-CB 3.24Å; T415-D418 PolarHBondContact O-N 2.77Å; T415-D418 PolarHBondContact OG1-N 3.11Å; T415-D418 PolarHBondContact OG1-OD2 2.79Å; D418-W422 WeakPolarHBondContact O-CB 3.35Å; D418-W422 PolarHBondContact O-N 2.97Å
419	I	70.7	Confident	68.8	Low	15 Å²	15	57 Å²	57	8%	0.077	28%	0.279	C	S	.	.	H	α-helix	trans	-67.9	-45.9	178.2	-67.8	146.3	0	0	0	110.9	F414 T415 V416 Q417 W422 Q423 L452	F414-I419 HydrophobicContact CB-CD1 4.25Å; F414-I419 HydrophobicContact CB-CG1 4.21Å; F414-I419 HydrophobicContact CD1-CG1 4Å; T415-I419 VanDerWaalsContact O-CD1 3.28Å; T415-I419 WeakPolarHBondContact O-CD1 3.45Å; T415-I419 WeakPolarHBondContact O-CG1 3.32Å; T415-I419 PolarHBondContact O-N 3.29Å; V416-I419 PolarHBondContact O-N 2.93Å; Q417-I419 VanDerWaalsContact C-N 3.26Å; Q417-I419 PolarHBondContact O-N 3.01Å; I419-W422 PolarHBondContact O-N 2.92Å; I419-Q423 HydrophobicContact CG2-CG 4.37Å; I419-Q423 WeakPolarHBondContact O-CB 3.34Å; I419-Q423 WeakPolarHBondContact O-CG 3.3Å; I419-Q423 PolarHBondContact O-N 3.42Å; I419-L452 HydrophobicContact CB-CD1 4.43Å; I419-L452 HydrophobicContact CD1-CB 4.4Å; I419-L452 HydrophobicContact CD1-CD1 3.5Å; I419-L452 VanDerWaalsContact CD1-CD1 3.5Å; I419-L452 HydrophobicContact CD1-CD2 3.44Å; I419-L452 VanDerWaalsContact CD1-CD2 3.44Å; I419-L452 HydrophobicContact CD1-CG 3.94Å; I419-L452 HydrophobicContact CG1-CD1 3.7Å; I419-L452 HydrophobicContact CG1-CD2 4.33Å; I419-L452 HydrophobicContact CG2-CD1 3.86Å
420	E	73.3	Confident	69.5	Low	79 Å²	79	56.6 Å²	56.6	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-41.8	175.9	-67.4	-154.8	128	0	0	111.9	V416 Q417 W422 Q423 N424 R449	V416-E420 WeakPolarHBondContact O-CG 3.41Å; V416-E420 PolarHBondContact O-N 3.26Å; Q417-E420 PolarHBondContact O-N 3.15Å; E420-W422 VanDerWaalsContact C-N 3.34Å; E420-W422 PolarHBondContact O-N 3.42Å; E420-Q423 PolarHBondContact O-N 2.86Å; E420-N424 VanDerWaalsContact O-CB 3.32Å; E420-N424 WeakPolarHBondContact O-CB 3.36Å; E420-N424 PolarHBondContact O-N 3.49Å; E420-N424 PolarHBondContact O-ND2 3.45Å; E420-R449 IonicContact OE1-CZ 2.75Å; E420-R449 VanDerWaalsContact OE1-CZ 3.24Å; E420-R449 IonicContact OE1-NH1 3.98Å; E420-R449 PolarHBondContact OE1-NH1 3.32Å; E420-R449 IonicContact OE1-NH2 3.31Å; E420-R449 PolarHBondContact OE1-NH2 3.37Å
421	R	77.6	Confident	70.5	Confident	110 Å²	110	56.4 Å²	56.4	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-54.7	-50.9	170.7	175.4	-175.8	163.3	-116.6	-31	110.8	Q417 N424 E425	Q417-R421 VanDerWaalsContact O-CB 3.25Å; Q417-R421 WeakPolarHBondContact O-CB 3.13Å; Q417-R421 PolarHBondContact O-N 3.48Å; R421-N424 PolarHBondContact O-N 3.35Å; R421-E425 HydrophobicContact CG-CG 4.4Å; R421-E425 WeakPolarHBondContact CG-OE1 3.24Å; R421-E425 IonicContact CZ-OE1 3.2Å; R421-E425 VanDerWaalsContact CZ-OE1 3.28Å; R421-E425 IonicContact CZ-OE2 3.55Å; R421-E425 IonicContact NE-OE1 3.68Å; R421-E425 PolarHBondContact NE-OE1 2.9Å; R421-E425 IonicContact NE-OE2 2.67Å; R421-E425 VanDerWaalsContact NH2-CD 3.31Å; R421-E425 IonicContact NH2-OE1 3Å; R421-E425 PolarHBondContact NH2-OE1 2.71Å; R421-E425 IonicContact NH2-OE2 2.66Å; R421-E425 PolarHBondContact NH2-OE2 2.96Å; R421-E425 WeakPolarHBondContact O-CB 3.35Å; R421-E425 WeakPolarHBondContact O-CG 3.19Å; R421-E425 PolarHBondContact O-N 3.32Å
422	W	73.3	Confident	71.7	Confident	10 Å²	10	61.1 Å²	61.1	4%	0.038	30%	0.303	C	S	.	.	H	α-helix	trans	-68.8	-37.9	-176.3	177.8	96.7	0	0	0	113	F335 W336 L408 F414 D418 I419 E420 N424 N426 L430	F335-W422 HydrophobicContact CD1-CH2 4.3Å; F335-W422 AromaticContact CD1-CZ2 3.58Å; F335-W422 HydrophobicContact CD1-CZ2 3.58Å; F335-W422 AromaticContact CE1-CH2 3.53Å; F335-W422 HydrophobicContact CE1-CH2 3.53Å; F335-W422 AromaticContact CE1-CZ2 3.28Å; F335-W422 HydrophobicContact CE1-CZ2 3.28Å; F335-W422 HydrophobicContact CE2-CZ2 4.31Å; F335-W422 HydrophobicContact CG-CZ2 4.24Å; F335-W422 AromaticContact CZ-CH2 3.69Å; F335-W422 HydrophobicContact CZ-CH2 3.69Å; F335-W422 AromaticContact CZ-CZ2 3.69Å; F335-W422 HydrophobicContact CZ-CZ2 3.69Å; W336-W422 AromaticContact CE2-CZ2 3.71Å; W336-W422 AromaticContact CH2-CH2 3.96Å; W336-W422 HydrophobicContact CH2-CH2 3.96Å; W336-W422 HydrophobicContact CH2-CZ2 4.04Å; W336-W422 HydrophobicContact CZ2-CD2 4.41Å; W336-W422 AromaticContact CZ2-CE2 3.69Å; W336-W422 AromaticContact CZ2-CH2 3.57Å; W336-W422 HydrophobicContact CZ2-CH2 3.57Å; W336-W422 AromaticContact CZ2-CZ2 3.24Å; W336-W422 HydrophobicContact CZ2-CZ2 3.24Å; W336-W422 HydrophobicContact CZ2-CZ3 4.28Å; W336-W422 AromaticContact NE1-CE2 3.85Å; W336-W422 AromaticContact NE1-CZ2 3.92Å; W336-W422 AromaticContact NE1-NE1 3.57Å; L408-W422 HydrophobicContact CD2-CZ2 3.98Å; F414-W422 HydrophobicContact CE1-CB 4.28Å; F414-W422 HydrophobicContact CE1-CG 4.36Å; D418-W422 WeakPolarHBondContact O-CB 3.35Å; D418-W422 PolarHBondContact O-N 2.97Å; I419-W422 PolarHBondContact O-N 2.92Å; E420-W422 VanDerWaalsContact C-N 3.34Å; E420-W422 PolarHBondContact O-N 3.42Å; W422-N424 VanDerWaalsContact C-N 3.33Å; W422-N426 WeakPolarHBondContact O-CB 3.5Å; W422-N426 PolarHBondContact O-N 3.47Å; W422-N426 PolarHBondContact O-ND2 3.46Å; W422-L430 HydrophobicContact CZ3-CD2 4.49Å
423	Q	77.5	Confident	72.7	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-38.3	172.4	-77.1	-171.2	-22.7	0	0	111.4	I419 E420 A427 L430 Q445 R449	I419-Q423 HydrophobicContact CG2-CG 4.37Å; I419-Q423 WeakPolarHBondContact O-CB 3.34Å; I419-Q423 WeakPolarHBondContact O-CG 3.3Å; I419-Q423 PolarHBondContact O-N 3.42Å; E420-Q423 PolarHBondContact O-N 2.86Å; Q423-A427 WeakPolarHBondContact O-CA 3.47Å; Q423-A427 PolarHBondContact O-N 2.85Å; Q423-A427 VanDerWaalsContact O-N 3.08Å; Q423-L430 HydrophobicContact CB-CD1 4.01Å; Q423-L430 HydrophobicContact CG-CD1 4.04Å; Q423-Q445 PolarHBondContact NE2-O 3.43Å; Q423-R449 VanDerWaalsContact OE1-NE 3.11Å; Q423-R449 VanDerWaalsContact OE1-NH2 3.1Å
424	N	81	Confident	74.4	Confident	113 Å²	113	59 Å²	59	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-72.6	-48.8	177.4	-72.5	-33.7	0	0	0	112.1	E420 R421 W422 N426 A427	E420-N424 VanDerWaalsContact O-CB 3.32Å; E420-N424 WeakPolarHBondContact O-CB 3.36Å; E420-N424 PolarHBondContact O-N 3.49Å; E420-N424 PolarHBondContact O-ND2 3.45Å; R421-N424 PolarHBondContact O-N 3.35Å; W422-N424 VanDerWaalsContact C-N 3.33Å; N424-N426 PolarHBondContact O-N 2.86Å; N424-A427 PolarHBondContact O-N 3.25Å
425	E	75.9	Confident	75.3	Confident	114 Å²	114	68.3 Å²	68.3	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-31.8	177.3	-75.9	179	-173.7	0	0	112.5	R421	R421-E425 HydrophobicContact CG-CG 4.4Å; R421-E425 WeakPolarHBondContact CG-OE1 3.24Å; R421-E425 IonicContact CZ-OE1 3.2Å; R421-E425 VanDerWaalsContact CZ-OE1 3.28Å; R421-E425 IonicContact CZ-OE2 3.55Å; R421-E425 IonicContact NE-OE1 3.68Å; R421-E425 PolarHBondContact NE-OE1 2.9Å; R421-E425 IonicContact NE-OE2 2.67Å; R421-E425 VanDerWaalsContact NH2-CD 3.31Å; R421-E425 IonicContact NH2-OE1 3Å; R421-E425 PolarHBondContact NH2-OE1 2.71Å; R421-E425 IonicContact NH2-OE2 2.66Å; R421-E425 PolarHBondContact NH2-OE2 2.96Å; R421-E425 WeakPolarHBondContact O-CB 3.35Å; R421-E425 WeakPolarHBondContact O-CG 3.19Å; R421-E425 PolarHBondContact O-N 3.32Å
426	N	73.4	Confident	76.1	Confident	19 Å²	19	72.2 Å²	72.2	10%	0.102	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	17.2	-177.3	-60.9	-80.2	0	0	0	114.3	W336 W422 N424 R428 K429 L430	W336-N426 VanDerWaalsContact CE2-CG 3.49Å; W336-N426 HydrophobicContact CH2-CB 3.97Å; W336-N426 HydrophobicContact CZ2-CB 3.27Å; W336-N426 VanDerWaalsContact NE1-CG 3.26Å; W336-N426 PolarHBondContact NE1-ND2 3.06Å; W336-N426 PolarHBondContact NE1-OD1 2.87Å; W336-N426 VanDerWaalsContact NE1-OD1 3.12Å; W422-N426 WeakPolarHBondContact O-CB 3.5Å; W422-N426 PolarHBondContact O-N 3.47Å; W422-N426 PolarHBondContact O-ND2 3.46Å; N424-N426 PolarHBondContact O-N 2.86Å; N426-R428 PolarHBondContact O-N 2.91Å; N426-K429 HydrophobicContact CB-CB 4.49Å; N426-K429 HydrophobicContact CB-CD 4.32Å; N426-K429 WeakPolarHBondContact O-CA 3.18Å; N426-K429 PolarHBondContact O-N 2.88Å; N426-K429 WeakPolarHBondContact OD1-CE 3.3Å; N426-K429 PolarHBondContact OD1-NZ 2.75Å; N426-L430 PolarHBondContact O-N 2.84Å
427	A	79.4	Confident	76.8	Confident	33 Å²	33	68.9 Å²	68.9	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-51.7	-34	-175.5	0	0	0	0	0	114.3	Q423 N424 A431	Q423-A427 WeakPolarHBondContact O-CA 3.47Å; Q423-A427 PolarHBondContact O-N 2.85Å; Q423-A427 VanDerWaalsContact O-N 3.08Å; N424-A427 PolarHBondContact O-N 3.25Å; A427-A431 PolarHBondContact O-N 3.03Å
428	R	79.1	Confident	77.3	Confident	216 Å²	216	65.5 Å²	65.5	82%	0.815	32%	0.317	S	S	*	.	H	α-helix	trans	-65	-44.6	173.7	-67	-175.3	-177.7	174.9	2	112.9	N426 L430 A431 E432	N426-R428 PolarHBondContact O-N 2.91Å; R428-L430 VanDerWaalsContact C-N 3.35Å; R428-A431 WeakPolarHBondContact O-CB 3.4Å; R428-A431 PolarHBondContact O-N 2.85Å; R428-E432 PolarHBondContact O-N 2.87Å
429	K	79.1	Confident	78	Confident	73 Å²	73	65.5 Å²	65.5	32%	0.317	32%	0.317	S	S	.	.	H	α-helix	trans	-69.4	-34	178.7	-55.3	179	-170.8	158.1	0	111.4	W336 N426 E432 A433	W336-K429 HydrophobicContact CB-CD 4.12Å; W336-K429 HydrophobicContact CD2-CB 4.28Å; W336-K429 HydrophobicContact CD2-CD 3.3Å; W336-K429 HydrophobicContact CD2-CG 4.46Å; W336-K429 HydrophobicContact CE3-CB 3.65Å; W336-K429 HydrophobicContact CE3-CD 3.43Å; W336-K429 VanDerWaalsContact CE3-CD 3.43Å; W336-K429 HydrophobicContact CE3-CG 4.19Å; W336-K429 HydrophobicContact CG-CD 3.6Å; W336-K429 HydrophobicContact CH2-CB 3.87Å; W336-K429 HydrophobicContact CH2-CD 4.48Å; W336-K429 HydrophobicContact CZ2-CB 4.47Å; W336-K429 HydrophobicContact CZ2-CD 4.39Å; W336-K429 HydrophobicContact CZ3-CB 3.41Å; W336-K429 VanDerWaalsContact CZ3-CB 3.41Å; W336-K429 HydrophobicContact CZ3-CD 4.04Å; W336-K429 HydrophobicContact CZ3-CG 4.41Å; N426-K429 HydrophobicContact CB-CB 4.49Å; N426-K429 HydrophobicContact CB-CD 4.32Å; N426-K429 WeakPolarHBondContact O-CA 3.18Å; N426-K429 PolarHBondContact O-N 2.88Å; N426-K429 WeakPolarHBondContact OD1-CE 3.3Å; N426-K429 PolarHBondContact OD1-NZ 2.75Å; K429-E432 PolarHBondContact O-N 3.19Å; K429-A433 WeakPolarHBondContact O-CB 3.47Å; K429-A433 PolarHBondContact O-N 2.78Å
430	L	80.8	Confident	78.7	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-40.3	170.8	-69.9	174.8	0	0	0	111.7	W336 W422 Q423 N426 R428 E432 A433 A434 L444 Q445	W336-L430 HydrophobicContact CH2-CD2 3.91Å; W336-L430 HydrophobicContact CH2-CG 4.15Å; W422-L430 HydrophobicContact CZ3-CD2 4.49Å; Q423-L430 HydrophobicContact CB-CD1 4.01Å; Q423-L430 HydrophobicContact CG-CD1 4.04Å; N426-L430 PolarHBondContact O-N 2.84Å; R428-L430 VanDerWaalsContact C-N 3.35Å; L430-E432 VanDerWaalsContact C-N 3.31Å; L430-E432 PolarHBondContact O-N 2.71Å; L430-A433 PolarHBondContact O-N 2.83Å; L430-A434 WeakPolarHBondContact O-CB 3.38Å; L430-A434 PolarHBondContact O-N 3.38Å; L430-L444 HydrophobicContact CD2-CD2 3.98Å; L430-L444 HydrophobicContact CD2-CG 4.42Å; L430-Q445 HydrophobicContact CD1-CG 4.06Å
431	A	80.3	Confident	79.3	Confident	25 Å²	25	66.6 Å²	66.6	21%	0.207	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-31.9	173.4	0	0	0	0	0	112.8	A427 R428 R435	A427-A431 PolarHBondContact O-N 3.03Å; R428-A431 WeakPolarHBondContact O-CB 3.4Å; R428-A431 PolarHBondContact O-N 2.85Å; A431-R435 WeakPolarHBondContact O-CD 3.33Å; A431-R435 VanDerWaalsContact O-CG 3.23Å; A431-R435 WeakPolarHBondContact O-CG 3.25Å; A431-R435 PolarHBondContact O-N 3.12Å
432	E	80.9	Confident	79.6	Confident	102 Å²	102	66.8 Å²	66.8	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-72.2	-45.9	173.4	-73	169.1	-176.7	0	0	112.3	R428 K429 L430 R435 Q436	R428-E432 PolarHBondContact O-N 2.87Å; K429-E432 PolarHBondContact O-N 3.19Å; L430-E432 VanDerWaalsContact C-N 3.31Å; L430-E432 PolarHBondContact O-N 2.71Å; E432-R435 WeakPolarHBondContact O-CB 3.32Å; E432-R435 PolarHBondContact O-N 2.82Å; E432-Q436 WeakPolarHBondContact O-CG 3.33Å; E432-Q436 PolarHBondContact O-N 3.04Å
433	A	78	Confident	80.1	Confident	5 Å²	5	71.4 Å²	71.4	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-42.8	174.8	0	0	0	0	0	112	K429 L430 R435 Q436 H437 L444	K429-A433 WeakPolarHBondContact O-CB 3.47Å; K429-A433 PolarHBondContact O-N 2.78Å; L430-A433 PolarHBondContact O-N 2.83Å; A433-R435 VanDerWaalsContact C-N 3.3Å; A433-R435 PolarHBondContact O-N 3.33Å; A433-Q436 PolarHBondContact O-N 2.92Å; A433-Q436 VanDerWaalsContact O-N 3.13Å; A433-H437 PolarHBondContact O-CD2 2.77Å; A433-H437 VanDerWaalsContact O-CD2 3.26Å; A433-H437 PolarHBondContact O-N 3.42Å; A433-L444 HydrophobicContact CB-CD2 4.03Å
434	A	82.3	Confident	80.4	Confident	2 Å²	2	71.4 Å²	71.4	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-40.1	174.5	0	0	0	0	0	111.9	L430 H437 G438 I439 L444	L430-A434 WeakPolarHBondContact O-CB 3.38Å; L430-A434 PolarHBondContact O-N 3.38Å; A434-H437 PolarHBondContact O-N 3.04Å; A434-G438 PolarHBondContact O-N 2.86Å; A434-I439 CarbonylContact C-O 3.47Å; A434-I439 HydrophobicContact CB-CG1 4.05Å; A434-I439 PolarHBondContact O-N 3.33Å; A434-I439 VanDerWaalsContact O-O 3.13Å; A434-L444 HydrophobicContact CB-CB 4.5Å; A434-L444 HydrophobicContact CB-CD2 4.16Å
435	R	80.8	Confident	80.6	Confident	205 Å²	205	67.7 Å²	67.7	77%	0.774	34%	0.338	S	S	*	.	H	α-helix	trans	-65.7	-40.4	172.4	-76.1	169.8	177.4	-179.9	0	113.1	A431 E432 A433 H437 G438	A431-R435 WeakPolarHBondContact O-CD 3.33Å; A431-R435 VanDerWaalsContact O-CG 3.23Å; A431-R435 WeakPolarHBondContact O-CG 3.25Å; A431-R435 PolarHBondContact O-N 3.12Å; E432-R435 WeakPolarHBondContact O-CB 3.32Å; E432-R435 PolarHBondContact O-N 2.82Å; A433-R435 VanDerWaalsContact C-N 3.3Å; A433-R435 PolarHBondContact O-N 3.33Å; R435-H437 VanDerWaalsContact C-N 3.28Å; R435-H437 PolarHBondContact O-N 2.87Å; R435-G438 PolarHBondContact O-N 3.17Å
436	Q	76.8	Confident	80.9	Confident	110 Å²	110	67.4 Å²	67.4	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-35.1	175.7	-71.4	177.9	7.4	0	0	112.1	E432 A433	E432-Q436 WeakPolarHBondContact O-CG 3.33Å; E432-Q436 PolarHBondContact O-N 3.04Å; A433-Q436 PolarHBondContact O-N 2.92Å; A433-Q436 VanDerWaalsContact O-N 3.13Å
437	H	77.6	Confident	81.4	Confident	41 Å²	41	67.4 Å²	67.4	19%	0.19	34%	0.336	C	S	.	.	H	α-helix	trans	-92.9	-4	-178.8	-62.9	-43.2	0	0	0	114.8	W397 A433 A434 R435 I439	W397-H437 HydrophobicContact CB-CB 3.69Å; W397-H437 VanDerWaalsContact CB-CG 3.41Å; W397-H437 WeakPolarHBondContact CB-ND1 3.12Å; W397-H437 HydrophobicContact CD2-CB 4.47Å; W397-H437 HydrophobicContact CG-CB 3.94Å; A433-H437 PolarHBondContact O-CD2 2.77Å; A433-H437 VanDerWaalsContact O-CD2 3.26Å; A433-H437 PolarHBondContact O-N 3.42Å; A434-H437 PolarHBondContact O-N 3.04Å; R435-H437 VanDerWaalsContact C-N 3.28Å; R435-H437 PolarHBondContact O-N 2.87Å; H437-I439 HydrophobicContact CB-CD1 4.12Å; H437-I439 HydrophobicContact CB-CG1 4.11Å
438	G	78.2	Confident	81.5	Confident	71 Å²	71	65.9 Å²	65.9	73%	0.732	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	24.1	178.4	0	0	0	0	0	114.9	A434 R435	A434-G438 PolarHBondContact O-N 2.86Å; R435-G438 PolarHBondContact O-N 3.17Å
439	I	83	Confident	81.5	Confident	31 Å²	31	60.6 Å²	60.6	16%	0.159	30%	0.303	C	S	.	.	S	Bend	trans	-116.9	165.4	-176.6	60.7	-178.2	0	0	0	111.5	W397 A434 H437 L444	W397-I439 HydrophobicContact CD2-CD1 3.8Å; W397-I439 HydrophobicContact CE3-CD1 3.68Å; W397-I439 HydrophobicContact CH2-CD1 3.65Å; W397-I439 HydrophobicContact CZ2-CD1 3.76Å; W397-I439 HydrophobicContact CZ2-CG2 3.95Å; W397-I439 HydrophobicContact CZ3-CD1 3.59Å; A434-I439 CarbonylContact C-O 3.47Å; A434-I439 HydrophobicContact CB-CG1 4.05Å; A434-I439 PolarHBondContact O-N 3.33Å; A434-I439 VanDerWaalsContact O-O 3.13Å; H437-I439 HydrophobicContact CB-CD1 4.12Å; H437-I439 HydrophobicContact CB-CG1 4.11Å; I439-L444 HydrophobicContact CD1-CB 3.88Å; I439-L444 HydrophobicContact CD1-CD1 4.17Å; I439-L444 HydrophobicContact CD1-CG 4.48Å
440	S	84	Confident	81.5	Confident	53 Å²	53	61.8 Å²	61.8	37%	0.371	31%	0.31	S	S	.	.			trans	-76.3	151.3	170	68.2	0	0	0	0	111.7	N442 Q443 L444	S440-N442 PolarHBondContact O-N 3.23Å; S440-Q443 PolarHBondContact O-N 3.48Å; S440-Q443 WeakPolarHBondContact OG-CB 3.19Å; S440-Q443 VanDerWaalsContact OG-CD 3.24Å; S440-Q443 VanDerWaalsContact OG-CG 3.25Å; S440-Q443 WeakPolarHBondContact OG-CG 3.22Å; S440-Q443 PolarHBondContact OG-N 3.29Å; S440-Q443 PolarHBondContact OG-OE1 2.74Å; S440-L444 PolarHBondContact O-N 2.82Å; S440-L444 VanDerWaalsContact O-N 3.13Å
441	Q	86.1	Confident	81.1	Confident	63 Å²	63	62 Å²	62	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-56.4	-37.6	174.1	-179.1	-179.2	-20.5	0	0	111.7	L444 Q445	Q441-L444 PolarHBondContact O-N 2.79Å; Q441-Q445 HydrophobicContact CG-CG 4.43Å; Q441-Q445 WeakPolarHBondContact O-CB 3.4Å; Q441-Q445 WeakPolarHBondContact O-CG 3.31Å; Q441-Q445 PolarHBondContact O-N 3.49Å
442	N	84.4	Confident	80.6	Confident	115 Å²	115	62 Å²	62	62%	0.615	31%	0.307	S	S	*	.	H	α-helix	trans	-65.6	-42.4	178.9	-63.5	17.9	0	0	0	111.5	S440 L444 Q445 Q446	S440-N442 PolarHBondContact O-N 3.23Å; N442-L444 VanDerWaalsContact C-N 3.33Å; N442-L444 PolarHBondContact O-N 3.45Å; N442-Q445 PolarHBondContact O-N 2.91Å; N442-Q446 VanDerWaalsContact O-CB 3.22Å; N442-Q446 WeakPolarHBondContact O-CB 3.34Å; N442-Q446 PolarHBondContact O-N 3.17Å
443	Q	83.4	Confident	80	Confident	107 Å²	107	63.7 Å²	63.7	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-39.6	174.8	-76.8	161.4	-45	0	0	111.9	S440 F447	S440-Q443 PolarHBondContact O-N 3.48Å; S440-Q443 WeakPolarHBondContact OG-CB 3.19Å; S440-Q443 VanDerWaalsContact OG-CD 3.24Å; S440-Q443 VanDerWaalsContact OG-CG 3.25Å; S440-Q443 WeakPolarHBondContact OG-CG 3.22Å; S440-Q443 PolarHBondContact OG-N 3.29Å; S440-Q443 PolarHBondContact OG-OE1 2.74Å; Q443-F447 WeakPolarHBondContact O-CB 3.46Å; Q443-F447 PolarHBondContact O-N 2.84Å
444	L	83.9	Confident	79.5	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.8	-47	175.2	-177.4	57.7	0	0	0	111.6	W397 E401 L430 A433 A434 I439 S440 Q441 N442 Q446 F447 Q448	W397-L444 HydrophobicContact CE3-CD1 4.4Å; W397-L444 HydrophobicContact CZ3-CD1 3.92Å; E401-L444 HydrophobicContact CG-CD1 3.98Å; L430-L444 HydrophobicContact CD2-CD2 3.98Å; L430-L444 HydrophobicContact CD2-CG 4.42Å; A433-L444 HydrophobicContact CB-CD2 4.03Å; A434-L444 HydrophobicContact CB-CB 4.5Å; A434-L444 HydrophobicContact CB-CD2 4.16Å; I439-L444 HydrophobicContact CD1-CB 3.88Å; I439-L444 HydrophobicContact CD1-CD1 4.17Å; I439-L444 HydrophobicContact CD1-CG 4.48Å; S440-L444 PolarHBondContact O-N 2.82Å; S440-L444 VanDerWaalsContact O-N 3.13Å; Q441-L444 PolarHBondContact O-N 2.79Å; N442-L444 VanDerWaalsContact C-N 3.33Å; N442-L444 PolarHBondContact O-N 3.45Å; L444-Q446 PolarHBondContact O-N 2.75Å; L444-F447 PolarHBondContact O-N 3.34Å; L444-Q448 HydrophobicContact CD1-CG 4.38Å; L444-Q448 WeakPolarHBondContact O-CB 3.36Å; L444-Q448 VanDerWaalsContact O-CG 3.25Å; L444-Q448 WeakPolarHBondContact O-CG 3.5Å; L444-Q448 PolarHBondContact O-N 2.81Å
445	Q	84.5	Confident	78.6	Confident	35 Å²	35	70.7 Å²	70.7	16%	0.164	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-38.1	179.2	-76	179	-27.9	0	0	112.8	Q423 L430 Q441 N442 R449	Q423-Q445 PolarHBondContact NE2-O 3.43Å; L430-Q445 HydrophobicContact CD1-CG 4.06Å; Q441-Q445 HydrophobicContact CG-CG 4.43Å; Q441-Q445 WeakPolarHBondContact O-CB 3.4Å; Q441-Q445 WeakPolarHBondContact O-CG 3.31Å; Q441-Q445 PolarHBondContact O-N 3.49Å; N442-Q445 PolarHBondContact O-N 2.91Å; Q445-R449 WeakPolarHBondContact O-CD 2.96Å; Q445-R449 VanDerWaalsContact O-CG 3.29Å; Q445-R449 WeakPolarHBondContact O-CG 3.3Å; Q445-R449 PolarHBondContact O-N 3.45Å
446	Q	82.7	Confident	77.7	Confident	108 Å²	108	65.6 Å²	65.6	51%	0.505	32%	0.322	S	S	.	.	H	α-helix	trans	-69.3	-48.7	176	179.9	172.4	-10.7	0	0	111.2	N442 L444 Q448 R449 E450	N442-Q446 VanDerWaalsContact O-CB 3.22Å; N442-Q446 WeakPolarHBondContact O-CB 3.34Å; N442-Q446 PolarHBondContact O-N 3.17Å; L444-Q446 PolarHBondContact O-N 2.75Å; Q446-Q448 VanDerWaalsContact C-N 3.29Å; Q446-Q448 PolarHBondContact O-N 2.92Å; Q446-R449 PolarHBondContact O-N 3.47Å; Q446-E450 HydrophobicContact CG-CG 4.36Å; Q446-E450 WeakPolarHBondContact CG-OE1 3.34Å; Q446-E450 PolarHBondContact NE2-OE1 3.48Å; Q446-E450 WeakPolarHBondContact O-CG 3.43Å; Q446-E450 PolarHBondContact O-N 2.74Å
447	F	84.2	Confident	76.8	Confident	20 Å²	20	64.3 Å²	64.3	9%	0.088	32%	0.322	C	S	.	.	H	α-helix	trans	-56.4	-43.1	174.9	174.4	-103.5	0	0	0	111.9	W397 Q398 E401 Q443 L444 R449 E450 E451	W397-F447 HydrophobicContact CH2-CB 3.99Å; W397-F447 AromaticContact CH2-CD1 4Å; W397-F447 HydrophobicContact CH2-CD1 4Å; W397-F447 AromaticContact CH2-CG 3.88Å; W397-F447 HydrophobicContact CH2-CG 3.88Å; W397-F447 HydrophobicContact CZ3-CB 4.31Å; W397-F447 AromaticContact CZ3-CD1 3.57Å; W397-F447 HydrophobicContact CZ3-CD1 3.57Å; W397-F447 HydrophobicContact CZ3-CE1 4.1Å; W397-F447 AromaticContact CZ3-CG 3.96Å; W397-F447 HydrophobicContact CZ3-CG 3.96Å; Q398-F447 HydrophobicContact CB-CE1 4.24Å; Q398-F447 HydrophobicContact CB-CE2 4.12Å; Q398-F447 HydrophobicContact CB-CZ 3.71Å; Q398-F447 HydrophobicContact CG-CD2 4.18Å; Q398-F447 HydrophobicContact CG-CE1 4.13Å; Q398-F447 HydrophobicContact CG-CE2 3.75Å; Q398-F447 HydrophobicContact CG-CZ 3.73Å; E401-F447 HydrophobicContact CB-CE1 4.07Å; Q443-F447 WeakPolarHBondContact O-CB 3.46Å; Q443-F447 PolarHBondContact O-N 2.84Å; L444-F447 PolarHBondContact O-N 3.34Å; F447-R449 VanDerWaalsContact C-N 3.32Å; F447-R449 PolarHBondContact O-N 3Å; F447-E450 PolarHBondContact O-N 2.95Å; F447-E451 HydrophobicContact CZ-CB 4.42Å; F447-E451 HydrophobicContact CZ-CG 4.45Å; F447-E451 WeakPolarHBondContact O-CB 3.49Å; F447-E451 PolarHBondContact O-N 3.44Å
448	Q	81.2	Confident	75.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-41	175.2	-74.8	175.9	-8.1	0	0	112.2	E401 L405 L444 Q446 L452	E401-Q448 PolarHBondContact OE2-NE2 2.89Å; E401-Q448 VanDerWaalsContact OE2-NE2 3.13Å; L405-Q448 HydrophobicContact CD1-CB 4.45Å; L405-Q448 HydrophobicContact CD1-CG 4.11Å; L405-Q448 HydrophobicContact CD2-CG 4.17Å; L444-Q448 HydrophobicContact CD1-CG 4.38Å; L444-Q448 WeakPolarHBondContact O-CB 3.36Å; L444-Q448 VanDerWaalsContact O-CG 3.25Å; L444-Q448 WeakPolarHBondContact O-CG 3.5Å; L444-Q448 PolarHBondContact O-N 2.81Å; Q446-Q448 VanDerWaalsContact C-N 3.29Å; Q446-Q448 PolarHBondContact O-N 2.92Å; Q448-L452 VanDerWaalsContact O-CB 3.26Å; Q448-L452 WeakPolarHBondContact O-CB 3.49Å; Q448-L452 VanDerWaalsContact O-CD1 3.28Å; Q448-L452 WeakPolarHBondContact O-CD1 3.36Å; Q448-L452 PolarHBondContact O-N 3.28Å
449	R	78.9	Confident	74.5	Confident	104 Å²	104	64 Å²	64	39%	0.392	30%	0.3	S	S	.	.	H	α-helix	trans	-69.2	-44.3	178.4	-69.7	164.8	-174.8	-124.3	-8.2	112.5	E420 Q423 Q445 Q446 F447 L452 Q453	E420-R449 IonicContact OE1-CZ 2.75Å; E420-R449 VanDerWaalsContact OE1-CZ 3.24Å; E420-R449 IonicContact OE1-NH1 3.98Å; E420-R449 PolarHBondContact OE1-NH1 3.32Å; E420-R449 IonicContact OE1-NH2 3.31Å; E420-R449 PolarHBondContact OE1-NH2 3.37Å; Q423-R449 VanDerWaalsContact OE1-NE 3.11Å; Q423-R449 VanDerWaalsContact OE1-NH2 3.1Å; Q445-R449 WeakPolarHBondContact O-CD 2.96Å; Q445-R449 VanDerWaalsContact O-CG 3.29Å; Q445-R449 WeakPolarHBondContact O-CG 3.3Å; Q445-R449 PolarHBondContact O-N 3.45Å; Q446-R449 PolarHBondContact O-N 3.47Å; F447-R449 VanDerWaalsContact C-N 3.32Å; F447-R449 PolarHBondContact O-N 3Å; R449-L452 PolarHBondContact O-N 3.33Å; R449-Q453 PolarHBondContact O-N 2.78Å
450	E	79.8	Confident	73	Confident	98 Å²	98	64.2 Å²	64.2	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-43.5	177.7	-70	169.1	179.4	0	0	111.4	Q446 F447 L452 Q453 R454	Q446-E450 HydrophobicContact CG-CG 4.36Å; Q446-E450 WeakPolarHBondContact CG-OE1 3.34Å; Q446-E450 PolarHBondContact NE2-OE1 3.48Å; Q446-E450 WeakPolarHBondContact O-CG 3.43Å; Q446-E450 PolarHBondContact O-N 2.74Å; F447-E450 PolarHBondContact O-N 2.95Å; E450-L452 VanDerWaalsContact C-N 3.31Å; E450-L452 PolarHBondContact O-N 2.92Å; E450-Q453 PolarHBondContact O-N 3.5Å; E450-R454 PolarHBondContact O-N 2.89Å
451	E	72.6	Confident	71.3	Confident	7 Å²	7	67.1 Å²	67.1	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-35	176.5	-169.4	59.8	-144.8	0	0	111.8	R402 L405 F447 R454 L455	R402-E451 IonicContact CZ-OE1 2.69Å; R402-E451 VanDerWaalsContact CZ-OE1 3.27Å; R402-E451 IonicContact CZ-OE2 3.05Å; R402-E451 IonicContact NE-OE1 3.4Å; R402-E451 PolarHBondContact NE-OE1 2.87Å; R402-E451 IonicContact NE-OE2 3.51Å; R402-E451 PolarHBondContact NE-OE2 2.79Å; R402-E451 VanDerWaalsContact NH2-CD 3.27Å; R402-E451 IonicContact NH2-OE1 3.61Å; R402-E451 PolarHBondContact NH2-OE1 3.15Å; R402-E451 IonicContact NH2-OE2 2.66Å; R402-E451 PolarHBondContact NH2-OE2 2.65Å; L405-E451 HydrophobicContact CD1-CB 4.07Å; L405-E451 HydrophobicContact CD1-CG 4Å; F447-E451 HydrophobicContact CZ-CB 4.42Å; F447-E451 HydrophobicContact CZ-CG 4.45Å; F447-E451 WeakPolarHBondContact O-CB 3.49Å; F447-E451 PolarHBondContact O-N 3.44Å; E451-R454 WeakPolarHBondContact O-CB 3.42Å; E451-R454 PolarHBondContact O-N 2.82Å; E451-R454 IonicContact OE1-NE 3.34Å; E451-L455 HydrophobicContact CG-CD1 4.24Å; E451-L455 WeakPolarHBondContact O-CB 3.46Å; E451-L455 WeakPolarHBondContact O-CG 3.29Å; E451-L455 PolarHBondContact O-N 3.14Å
452	L	69	Low	69.4	Low	23 Å²	23	65.7 Å²	65.7	12%	0.12	31%	0.305	C	S	.	.	H	α-helix	trans	-69.4	-37.5	174.7	-95.9	149.2	0	0	0	113.4	L405 I409 I419 Q448 R449 E450 L455 Y456	L405-L452 HydrophobicContact CD2-CD1 4.25Å; I409-L452 HydrophobicContact CD1-CD2 3.31Å; I409-L452 HydrophobicContact CD1-CG 3.81Å; I409-L452 HydrophobicContact CG1-CD2 3.71Å; I419-L452 HydrophobicContact CB-CD1 4.43Å; I419-L452 HydrophobicContact CD1-CB 4.4Å; I419-L452 HydrophobicContact CD1-CD1 3.5Å; I419-L452 VanDerWaalsContact CD1-CD1 3.5Å; I419-L452 HydrophobicContact CD1-CD2 3.44Å; I419-L452 VanDerWaalsContact CD1-CD2 3.44Å; I419-L452 HydrophobicContact CD1-CG 3.94Å; I419-L452 HydrophobicContact CG1-CD1 3.7Å; I419-L452 HydrophobicContact CG1-CD2 4.33Å; I419-L452 HydrophobicContact CG2-CD1 3.86Å; Q448-L452 VanDerWaalsContact O-CB 3.26Å; Q448-L452 WeakPolarHBondContact O-CB 3.49Å; Q448-L452 VanDerWaalsContact O-CD1 3.28Å; Q448-L452 WeakPolarHBondContact O-CD1 3.36Å; Q448-L452 PolarHBondContact O-N 3.28Å; R449-L452 PolarHBondContact O-N 3.33Å; E450-L452 VanDerWaalsContact C-N 3.31Å; E450-L452 PolarHBondContact O-N 2.92Å; L452-L455 PolarHBondContact O-N 3.48Å; L452-Y456 WeakPolarHBondContact O-CB 3.35Å; L452-Y456 PolarHBondContact O-N 2.92Å
453	Q	67.7	Low	67.5	Low	139 Å²	139	63.3 Å²	63.3	65%	0.65	29%	0.293	S	S	*	.	H	α-helix	trans	-63.7	-43.1	170.5	-73.2	178.2	-16.8	0	0	111.3	R449 E450 Y456 V457	R449-Q453 PolarHBondContact O-N 2.78Å; E450-Q453 PolarHBondContact O-N 3.5Å; Q453-Y456 PolarHBondContact O-N 3.06Å; Q453-V457 WeakPolarHBondContact O-CG2 3.42Å; Q453-V457 PolarHBondContact O-N 3.21Å; Q453-V457 VanDerWaalsContact O-N 3.08Å
454	R	69.2	Low	65.5	Low	147 Å²	147	63.7 Å²	63.7	56%	0.555	29%	0.294	S	S	*	.	H	α-helix	trans	-59.8	-46	174	174.7	-174	164.2	119.1	7	112	E450 E451 V457 H458	E450-R454 PolarHBondContact O-N 2.89Å; E451-R454 WeakPolarHBondContact O-CB 3.42Å; E451-R454 PolarHBondContact O-N 2.82Å; E451-R454 IonicContact OE1-NE 3.34Å; R454-V457 PolarHBondContact O-N 3.15Å; R454-H458 WeakPolarHBondContact O-CB 3.19Å; R454-H458 PolarHBondContact O-N 2.65Å
455	L	63	Low	63	Low	6 Å²	6	68 Å²	68	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-38.1	179	-75.6	171.8	0	0	0	111.6	D406 I409 E451 L452 H458 F459	D406-L455 HydrophobicContact CB-CD1 4.46Å; I409-L455 HydrophobicContact CD1-CD1 3.47Å; I409-L455 VanDerWaalsContact CD1-CD1 3.47Å; E451-L455 HydrophobicContact CG-CD1 4.24Å; E451-L455 WeakPolarHBondContact O-CB 3.46Å; E451-L455 WeakPolarHBondContact O-CG 3.29Å; E451-L455 PolarHBondContact O-N 3.14Å; L452-L455 PolarHBondContact O-N 3.48Å; L455-H458 PolarHBondContact O-N 2.85Å; L455-F459 HydrophobicContact CB-CD2 4.2Å; L455-F459 HydrophobicContact CB-CE2 3.93Å; L455-F459 HydrophobicContact CD2-CE2 4.07Å; L455-F459 HydrophobicContact CD2-CZ 4.25Å; L455-F459 HydrophobicContact CG-CE2 4.48Å; L455-F459 WeakPolarHBondContact O-CB 3.17Å; L455-F459 WeakPolarHBondContact O-CD2 3.37Å; L455-F459 WeakPolarHBondContact O-CG 3.27Å; L455-F459 PolarHBondContact O-N 2.71Å
456	Y	62.1	Low	60.6	Low	99 Å²	99	69.4 Å²	69.4	39%	0.388	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-47.1	173.8	-168.5	-89.5	0	0	0	112	F315 L452 Q453 F459 N460	F315-Y456 HydrophobicContact CB-CE2 4.03Å; F315-Y456 AromaticContact CD2-CD2 3.79Å; F315-Y456 HydrophobicContact CD2-CD2 3.79Å; F315-Y456 AromaticContact CD2-CE2 3.57Å; F315-Y456 HydrophobicContact CD2-CE2 3.57Å; F315-Y456 HydrophobicContact CE2-CD2 4.2Å; F315-Y456 HydrophobicContact CE2-CE2 4.36Å; F315-Y456 HydrophobicContact CG-CD2 4.3Å; F315-Y456 HydrophobicContact CG-CE2 4.08Å; L452-Y456 WeakPolarHBondContact O-CB 3.35Å; L452-Y456 PolarHBondContact O-N 2.92Å; Q453-Y456 PolarHBondContact O-N 3.06Å; Y456-F459 PolarHBondContact O-N 2.96Å; Y456-N460 WeakPolarHBondContact CE1-ND2 3.4Å; Y456-N460 VanDerWaalsContact O-CG 3.25Å; Y456-N460 PolarHBondContact O-N 2.69Å; Y456-N460 PolarHBondContact O-OD1 3.15Å
457	V	56.8	Low	58.5	Low	83 Å²	83	66.2 Å²	66.2	50%	0.503	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-44.9	175	173.2	0	0	0	0	111.3	Q453 R454 F459 N460 Q461	Q453-V457 WeakPolarHBondContact O-CG2 3.42Å; Q453-V457 PolarHBondContact O-N 3.21Å; Q453-V457 VanDerWaalsContact O-N 3.08Å; R454-V457 PolarHBondContact O-N 3.15Å; V457-F459 PolarHBondContact O-N 3.46Å; V457-N460 PolarHBondContact O-N 3.23Å; V457-Q461 WeakPolarHBondContact O-CG 3.19Å; V457-Q461 PolarHBondContact O-N 2.81Å
458	H	55.7	Low	55.8	Low	88 Å²	88	70.6 Å²	70.6	41%	0.407	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-40	178.3	-180	-91.1	0	0	0	112.5	R454 L455 Q461 V462	R454-H458 WeakPolarHBondContact O-CB 3.19Å; R454-H458 PolarHBondContact O-N 2.65Å; L455-H458 PolarHBondContact O-N 2.85Å; H458-Q461 PolarHBondContact O-N 3.31Å; H458-V462 WeakPolarHBondContact O-CB 3.24Å; H458-V462 VanDerWaalsContact O-CG2 3.26Å; H458-V462 WeakPolarHBondContact O-CG2 3.21Å; H458-V462 PolarHBondContact O-N 3.45Å
459	F	52.6	Low	53.4	Low	16 Å²	16	77.8 Å²	77.8	7%	0.07	39%	0.389	C	S	.	.	H	α-helix	trans	-72.7	-31.5	177.4	-71.3	-49.8	0	0	0	113.2	F315 D406 I409 H410 L455 Y456 V457 N463	F315-F459 HydrophobicContact CE2-CB 4.03Å; F315-F459 HydrophobicContact CZ-CB 3.8Å; F315-F459 AromaticContact CZ-CD2 3.92Å; F315-F459 HydrophobicContact CZ-CD2 3.92Å; F315-F459 HydrophobicContact CZ-CG 4.11Å; D406-F459 WeakPolarHBondContact OD1-CZ 3.37Å; I409-F459 HydrophobicContact CG2-CD2 4.25Å; I409-F459 HydrophobicContact CG2-CE2 3.78Å; H410-F459 AromaticContact CD2-CE1 3.77Å; H410-F459 AromaticContact CD2-CZ 3.86Å; H410-F459 AromaticContact CE1-CE1 3.56Å; H410-F459 AromaticContact CE1-CZ 3.44Å; H410-F459 VanDerWaalsContact CE1-CZ 3.44Å; H410-F459 WeakPolarHBondContact CE1-CZ 3.31Å; H410-F459 AromaticContact ND1-CZ 3.78Å; H410-F459 AromaticContact NE2-CE1 3.22Å; H410-F459 WeakPolarHBondContact NE2-CE1 3.31Å; H410-F459 AromaticContact NE2-CZ 3.53Å; L455-F459 HydrophobicContact CB-CD2 4.2Å; L455-F459 HydrophobicContact CB-CE2 3.93Å; L455-F459 HydrophobicContact CD2-CE2 4.07Å; L455-F459 HydrophobicContact CD2-CZ 4.25Å; L455-F459 HydrophobicContact CG-CE2 4.48Å; L455-F459 WeakPolarHBondContact O-CB 3.17Å; L455-F459 WeakPolarHBondContact O-CD2 3.37Å; L455-F459 WeakPolarHBondContact O-CG 3.27Å; L455-F459 PolarHBondContact O-N 2.71Å; Y456-F459 PolarHBondContact O-N 2.96Å; V457-F459 PolarHBondContact O-N 3.46Å; F459-N463 VanDerWaalsContact O-CB 3.24Å; F459-N463 WeakPolarHBondContact O-CB 3.43Å; F459-N463 PolarHBondContact O-N 3.25Å; F459-N463 PolarHBondContact O-ND2 3.17Å
460	N	51.2	Low	51.1	Low	37 Å²	37	75.4 Å²	75.4	20%	0.198	39%	0.386	C	S	.	.	H	α-helix	trans	-64.9	-49.6	170	-67.1	-5.4	0	0	0	109.9	Y456 V457 V462 N463 E464	Y456-N460 WeakPolarHBondContact CE1-ND2 3.4Å; Y456-N460 VanDerWaalsContact O-CG 3.25Å; Y456-N460 PolarHBondContact O-N 2.69Å; Y456-N460 PolarHBondContact O-OD1 3.15Å; V457-N460 PolarHBondContact O-N 3.23Å; N460-V462 VanDerWaalsContact C-N 3.32Å; N460-V462 PolarHBondContact O-N 2.64Å; N460-N463 PolarHBondContact O-N 3.09Å; N460-N463 VanDerWaalsContact O-N 3.12Å; N460-E464 VanDerWaalsContact O-CB 3.3Å; N460-E464 WeakPolarHBondContact O-CB 3.46Å; N460-E464 VanDerWaalsContact O-CD 3.3Å; N460-E464 WeakPolarHBondContact O-CG 3.29Å; N460-E464 PolarHBondContact O-N 2.88Å
461	Q	49.2	Very low	48.6	Very low	114 Å²	114	74.1 Å²	74.1	53%	0.533	39%	0.386	S	S	.	.	H	α-helix	trans	-59.2	-37.6	175.1	-71.8	-178.3	-33.6	0	0	113.8	V457 H458 S465	V457-Q461 WeakPolarHBondContact O-CG 3.19Å; V457-Q461 PolarHBondContact O-N 2.81Å; H458-Q461 PolarHBondContact O-N 3.31Å; Q461-S465 WeakPolarHBondContact O-CB 3.3Å; Q461-S465 PolarHBondContact O-N 3.37Å; Q461-S465 PolarHBondContact O-OG 3.22Å
462	V	45.6	Very low	46.7	Very low	32 Å²	32	77.8 Å²	77.8	19%	0.194	41%	0.412	C	S	.	.	H	α-helix	trans	-72.7	-35.9	176.2	168.3	0	0	0	0	111.6	H458 N460 S465 L466	H458-V462 WeakPolarHBondContact O-CB 3.24Å; H458-V462 VanDerWaalsContact O-CG2 3.26Å; H458-V462 WeakPolarHBondContact O-CG2 3.21Å; H458-V462 PolarHBondContact O-N 3.45Å; N460-V462 VanDerWaalsContact C-N 3.32Å; N460-V462 PolarHBondContact O-N 2.64Å; V462-S465 WeakPolarHBondContact CA-OG 3.46Å; V462-S465 PolarHBondContact O-OG 3.29Å; V462-L466 HydrophobicContact CG1-CD1 3.57Å; V462-L466 HydrophobicContact CG1-CG 4.25Å; V462-L466 WeakPolarHBondContact O-CB 3.29Å; V462-L466 WeakPolarHBondContact O-CD1 2.96Å; V462-L466 WeakPolarHBondContact O-CG 3.14Å; V462-L466 PolarHBondContact O-N 2.86Å
463	N	44	Very low	44.9	Very low	66 Å²	66	82.2 Å²	82.2	35%	0.353	44%	0.44	S	S	.	.	H	α-helix	trans	-74.3	-35.6	174.6	-73.4	-26.7	0	0	0	112.4	F459 N460 S465 L466 A467	F459-N463 VanDerWaalsContact O-CB 3.24Å; F459-N463 WeakPolarHBondContact O-CB 3.43Å; F459-N463 PolarHBondContact O-N 3.25Å; F459-N463 PolarHBondContact O-ND2 3.17Å; N460-N463 PolarHBondContact O-N 3.09Å; N460-N463 VanDerWaalsContact O-N 3.12Å; N463-S465 VanDerWaalsContact C-N 3.32Å; N463-L466 PolarHBondContact O-N 3.5Å; N463-A467 PolarHBondContact O-N 3.02Å
464	E	41	Very low	43	Very low	115 Å²	115	81.3 Å²	81.3	54%	0.537	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-39.3	171.4	-73.8	157	-161.2	0	0	111.2	N460	N460-E464 VanDerWaalsContact O-CB 3.3Å; N460-E464 WeakPolarHBondContact O-CB 3.46Å; N460-E464 VanDerWaalsContact O-CD 3.3Å; N460-E464 WeakPolarHBondContact O-CG 3.29Å; N460-E464 PolarHBondContact O-N 2.88Å
465	S	32.6	Very low	41.1	Very low	89 Å²	89	81.1 Å²	81.1	62%	0.622	45%	0.451	S	S	*	.	H	α-helix	trans	-87.6	-12.9	177.4	54.8	0	0	0	0	115.2	Q461 V462 N463	Q461-S465 WeakPolarHBondContact O-CB 3.3Å; Q461-S465 PolarHBondContact O-N 3.37Å; Q461-S465 PolarHBondContact O-OG 3.22Å; V462-S465 WeakPolarHBondContact CA-OG 3.46Å; V462-S465 PolarHBondContact O-OG 3.29Å; N463-S465 VanDerWaalsContact C-N 3.32Å
466	L	34.5	Very low	39.5	Very low	66 Å²	66	87.2 Å²	87.2	35%	0.346	49%	0.489	S	S	.	.	H	α-helix	trans	-97.3	-10.5	171.3	-72.4	172.6	0	0	0	113.8	K281 I283 V462 N463	K281-L466 HydrophobicContact CB-CD1 3.9Å; K281-L466 HydrophobicContact CD-CD1 4.07Å; K281-L466 HydrophobicContact CD-CD2 4.43Å; I283-L466 HydrophobicContact CD1-CD1 4.19Å; V462-L466 HydrophobicContact CG1-CD1 3.57Å; V462-L466 HydrophobicContact CG1-CG 4.25Å; V462-L466 WeakPolarHBondContact O-CB 3.29Å; V462-L466 WeakPolarHBondContact O-CD1 2.96Å; V462-L466 WeakPolarHBondContact O-CG 3.14Å; V462-L466 PolarHBondContact O-N 2.86Å; N463-L466 PolarHBondContact O-N 3.5Å
467	A	37.3	Very low	37.9	Very low	41 Å²	41	87.4 Å²	87.4	34%	0.339	50%	0.501	S	S	.	.	S	Bend	trans	-60.5	142.9	161.8	0	0	0	0	0	109.1	N463 Q469	N463-A467 PolarHBondContact O-N 3.02Å; A467-Q469 PolarHBondContact O-N 2.8Å; A467-Q469 VanDerWaalsContact O-N 3.15Å
468	P	27.9	Very low	36.6	Very low	112 Å²	112	93.2 Å²	93.2	73%	0.727	52%	0.515	S	S	*	.	S	Bend	trans	-56.1	125.2	162.1	27.7	-32.5	0	0	0	106.4	V470	P468-V470 PolarHBondContact O-N 3.43Å
469	Q	30.4	Very low	35.2	Very low	151 Å²	151	95.9 Å²	95.9	71%	0.706	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-48.9	126.8	-156	-70	-179.9	-26.9	0	0	112.1	A467 Q495	A467-Q469 PolarHBondContact O-N 2.8Å; A467-Q469 VanDerWaalsContact O-N 3.15Å; Q469-Q495 VanDerWaalsContact O-CB 3.26Å; Q469-Q495 WeakPolarHBondContact O-CB 3.39Å; Q469-Q495 PolarHBondContact O-NE2 3.03Å; Q469-Q495 PolarHBondContact O-OE1 2.93Å
470	V	32	Very low	34.1	Very low	55 Å²	55	102 Å²	102	33%	0.333	56%	0.556	S	S	.	*			trans	-118.8	132.8	163.9	-178.8	0	0	0	0	106.8	P468 S472 K492 Q495	P468-V470 PolarHBondContact O-N 3.43Å; V470-S472 PolarHBondContact O-N 2.86Å; V470-K492 HydrophobicContact CG2-CG 4.32Å; V470-Q495 VanDerWaalsContact CA-OE1 3.26Å
471	P	26.8	Very low	33	Very low	71 Å²	71	107.3 Å²	107.3	46%	0.461	58%	0.58	S	S	.	*			trans	-92.2	56.2	-162.7	33.7	-13.4	0	0	0	107.1	V473 Q495	P471-V473 PolarHBondContact O-N 3.5Å; P471-Q495 VanDerWaalsContact CD-NE2 3.33Å; P471-Q495 VanDerWaalsContact CG-NE2 3.34Å
472	S	33	Very low	31.9	Very low	84 Å²	84	105.8 Å²	105.8	59%	0.587	58%	0.582	S	S	*	*			trans	-63.4	103.6	-170	49.8	0	0	0	0	110.3	V470	V470-S472 PolarHBondContact O-N 2.86Å
473	V	31	Very low	31	Very low	116 Å²	116	107.2 Å²	107.2	70%	0.703	59%	0.593	S	S	*	*			trans	-50.7	134.1	172.5	177.8	0	0	0	0	109.1	P471 Q475	P471-V473 PolarHBondContact O-N 3.5Å; V473-Q475 PolarHBondContact O-N 3.35Å; V473-Q475 VanDerWaalsContact O-N 3.14Å
474	P	26.6	Very low	30.2	Very low	119 Å²	119	108.8 Å²	108.8	77%	0.773	61%	0.609	S	S	*	*			trans	-67.2	114.1	-169.4	25.5	-35.3	0	0	0	112.3
475	Q	29.9	Very low	29.6	Very low	143 Å²	143	106.2 Å²	106.2	67%	0.668	60%	0.604	S	S	*	*			trans	-135.6	80.7	174	-70.6	-162.4	-4.4	0	0	113.5	V473	V473-Q475 PolarHBondContact O-N 3.35Å; V473-Q475 VanDerWaalsContact O-N 3.14Å
476	T	29.4	Very low	29.5	Very low	134 Å²	134	108 Å²	108	82%	0.822	61%	0.606	S	S	*	*			trans	-84.3	130.9	136.1	53.7	0	0	0	0	106.7
477	T	27.8	Very low	29.4	Very low	104 Å²	104	110 Å²	110	64%	0.638	62%	0.621	S	S	*	*			cis	-161.3	160.5	33.8	-35.6	0	0	0	0	111.4
478	Y	30.3	Very low	29.5	Very low	205 Å²	205	113.9 Å²	113.9	80%	0.804	63%	0.632	S	S	*	*			trans	86.4	94.8	164.7	-58.3	-71.1	0	0	0	120.2
479	N	26.3	Very low	29.9	Very low	143 Å²	143	111.6 Å²	111.6	77%	0.765	61%	0.614	S	S	*	*			trans	10.7	120.5	137	-52.1	-7	0	0	0	119.1
480	Y	29.8	Very low	30.4	Very low	145 Å²	145	109.2 Å²	109.2	57%	0.569	61%	0.606	S	S	*	*				-162.3	152	110.4	-98.4	-66.9	0	0	0	110.7	K603 Y604	Y480-K603 PolarHBondContact OH-NZ 2.91Å; Y480-Y604 WeakPolarHBondContact CE2-OH 3.43Å
481	Q	28.2	Very low	31.1	Very low	148 Å²	148	108.5 Å²	108.5	69%	0.692	60%	0.602	S	S	*	*			trans	-95.5	126.3	-170.1	-56.5	161.8	-69.9	0	0	112.3	Y596	Q481-Y596 WeakPolarHBondContact O-CE2 3.31Å; Q481-Y596 PolarHBondContact O-OH 2.84Å
482	S	26.8	Very low	32	Very low	82 Å²	82	109 Å²	109	57%	0.573	60%	0.597	S	S	*	*				172.3	150.7	128	-76.5	0	0	0	0	113.7
483	S	25.4	Very low	32.3	Very low	62 Å²	62	107.2 Å²	107.2	43%	0.434	58%	0.579	S	S	.	*			trans	31	109	156	54.2	0	0	0	0	121.1	D593	S483-D593 PolarHBondContact OG-OD1 3.24Å
484	S	28.4	Very low	33.1	Very low	99 Å²	99	107.3 Å²	107.3	69%	0.692	57%	0.572	S	S	*	*				-176.2	130.9	111.7	39.4	0	0	0	0	110.8
485	S	28.4	Very low	34.3	Very low	62 Å²	62	102.5 Å²	102.5	43%	0.434	54%	0.539	S	S	.	.			trans	-103.5	113.2	-173.6	66.6	0	0	0	0	111.6	R589	S485-R589 PolarHBondContact OG-NH1 2.69Å; S485-R589 PolarHBondContact OG-NH2 2.86Å
486	L	28.7	Very low	35.1	Very low	127 Å²	127	100.8 Å²	100.8	67%	0.665	53%	0.526	S	S	*	.	S	Bend	trans	-166.3	-29	165.8	-110.3	153.1	0	0	0	113.9
487	T	34.2	Very low	36	Very low	106 Å²	106	98.3 Å²	98.3	65%	0.65	51%	0.508	S	S	*	.	H	α-helix	trans	-83.4	-34.3	-177.7	43.9	0	0	0	0	114.4	T491	T487-T491 PolarHBondContact O-N 3.39Å; T487-T491 PolarHBondContact O-OG1 3.03Å
488	E	37.5	Very low	37.2	Very low	124 Å²	124	98.2 Å²	98.2	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-74.6	-29.7	-176.6	-65.3	-165.5	148.9	0	0	114.8	T491 K492	E488-T491 PolarHBondContact O-OG1 2.98Å; E488-K492 WeakPolarHBondContact O-CD 3.3Å; E488-K492 WeakPolarHBondContact O-CG 3.29Å; E488-K492 PolarHBondContact O-N 3.21Å
489	D	38.1	Very low	38.2	Very low	63 Å²	63	91.5 Å²	91.5	34%	0.337	48%	0.476	S	S	.	.	H	α-helix	trans	-73.7	-41.5	174.3	-79	-24.8	0	0	0	109.7	K306 T491 K492 E493	K306-D489 IonicContact NZ-OD2 3.26Å; K306-D489 PolarHBondContact NZ-OD2 2.84Å; D489-T491 PolarHBondContact O-N 3.08Å; D489-K492 PolarHBondContact O-N 3.43Å; D489-E493 WeakPolarHBondContact O-CG 3.45Å; D489-E493 PolarHBondContact O-N 2.95Å
490	N	39	Very low	39.2	Very low	101 Å²	101	87 Å²	87	54%	0.54	45%	0.452	S	S	.	.	H	α-helix	trans	-57.7	-42.7	176.7	-103.4	-13.7	0	0	0	113.4	E493 Q494	N490-E493 PolarHBondContact O-N 2.98Å; N490-Q494 WeakPolarHBondContact O-CB 3.22Å; N490-Q494 PolarHBondContact O-N 3.25Å
491	T	46.7	Very low	40	Very low	41 Å²	41	84.1 Å²	84.1	25%	0.252	45%	0.445	S	S	.	.	H	α-helix	trans	-69	-45.2	178.5	45.8	0	0	0	0	111.7	T487 E488 D489 E493 Q494 Q495	T487-T491 PolarHBondContact O-N 3.39Å; T487-T491 PolarHBondContact O-OG1 3.03Å; E488-T491 PolarHBondContact O-OG1 2.98Å; D489-T491 PolarHBondContact O-N 3.08Å; T491-E493 VanDerWaalsContact C-N 3.28Å; T491-E493 PolarHBondContact O-N 3.1Å; T491-Q494 WeakPolarHBondContact O-CB 3.36Å; T491-Q494 PolarHBondContact O-N 2.78Å; T491-Q495 WeakPolarHBondContact O-CG 3.32Å; T491-Q495 PolarHBondContact O-N 2.98Å; T491-Q495 PolarHBondContact O-OE1 3.23Å
492	K	46.4	Very low	41.5	Very low	81 Å²	81	84.4 Å²	84.4	35%	0.352	44%	0.44	S	S	.	.	H	α-helix	trans	-60	-37.1	175.2	-72.3	167.8	-178.6	163	0	112.2	H311 V470 E488 D489 Q495 R496	H311-K492 PolarHBondContact NE2-NZ 2.82Å; V470-K492 HydrophobicContact CG2-CG 4.32Å; E488-K492 WeakPolarHBondContact O-CD 3.3Å; E488-K492 WeakPolarHBondContact O-CG 3.29Å; E488-K492 PolarHBondContact O-N 3.21Å; D489-K492 PolarHBondContact O-N 3.43Å; K492-Q495 PolarHBondContact O-N 3.1Å; K492-R496 PolarHBondContact O-N 2.77Å
493	E	39.8	Very low	42.7	Very low	46 Å²	46	85.3 Å²	85.3	22%	0.215	44%	0.435	C	S	.	.	H	α-helix	trans	-73.8	-39.3	174.9	-68.5	-159.6	146.7	0	0	113.2	D489 N490 T491 Q495 L497 R571 L572	D489-E493 WeakPolarHBondContact O-CG 3.45Å; D489-E493 PolarHBondContact O-N 2.95Å; N490-E493 PolarHBondContact O-N 2.98Å; T491-E493 VanDerWaalsContact C-N 3.28Å; T491-E493 PolarHBondContact O-N 3.1Å; E493-Q495 PolarHBondContact O-N 2.98Å; E493-L497 WeakPolarHBondContact O-CB 3.36Å; E493-L497 PolarHBondContact O-N 3.45Å; E493-R571 IonicContact OE1-CZ 3.38Å; E493-R571 IonicContact OE1-NH1 2.67Å; E493-R571 PolarHBondContact OE1-NH1 3.13Å; E493-R571 IonicContact OE1-NH2 3.74Å; E493-R571 PolarHBondContact OE1-NH2 3.08Å; E493-L572 VanDerWaalsContact OE2-CD2 3.25Å; E493-L572 WeakPolarHBondContact OE2-CD2 3.28Å
494	Q	47.8	Very low	43.9	Very low	119 Å²	119	86.1 Å²	86.1	56%	0.556	43%	0.432	S	S	*	.	H	α-helix	trans	-51.9	-28.7	171.4	-97.4	-174.7	-48.4	0	0	112.5	N490 T491 L497 E498	N490-Q494 WeakPolarHBondContact O-CB 3.22Å; N490-Q494 PolarHBondContact O-N 3.25Å; T491-Q494 WeakPolarHBondContact O-CB 3.36Å; T491-Q494 PolarHBondContact O-N 2.78Å; Q494-L497 CarbonylContact O-C 3.49Å; Q494-L497 WeakPolarHBondContact O-CB 3.31Å; Q494-L497 PolarHBondContact O-N 3.41Å; Q494-E498 WeakPolarHBondContact O-CG 3.18Å; Q494-E498 PolarHBondContact O-N 3.25Å
495	Q	51.6	Low	45.1	Very low	17 Å²	17	85.1 Å²	85.1	8%	0.079	42%	0.419	C	S	.	.	H	α-helix	trans	-115.3	-19.2	-165.9	-62.1	174.5	-70.2	0	0	114.6	Q469 V470 P471 T491 K492 E493 E498 E499	Q469-Q495 VanDerWaalsContact O-CB 3.26Å; Q469-Q495 WeakPolarHBondContact O-CB 3.39Å; Q469-Q495 PolarHBondContact O-NE2 3.03Å; Q469-Q495 PolarHBondContact O-OE1 2.93Å; V470-Q495 VanDerWaalsContact CA-OE1 3.26Å; P471-Q495 VanDerWaalsContact CD-NE2 3.33Å; P471-Q495 VanDerWaalsContact CG-NE2 3.34Å; T491-Q495 WeakPolarHBondContact O-CG 3.32Å; T491-Q495 PolarHBondContact O-N 2.98Å; T491-Q495 PolarHBondContact O-OE1 3.23Å; K492-Q495 PolarHBondContact O-N 3.1Å; E493-Q495 PolarHBondContact O-N 2.98Å; Q495-E498 HydrophobicContact CG-CG 4.48Å; Q495-E498 WeakPolarHBondContact CG-OE2 3.16Å; Q495-E499 WeakPolarHBondContact O-CB 3.22Å; Q495-E499 PolarHBondContact O-N 3.38Å
496	R	46.6	Very low	46.3	Very low	108 Å²	108	85 Å²	85	41%	0.408	42%	0.422	S	S	.	.	H	α-helix	trans	-53.4	-42.4	144.5	-171.6	161.4	173.4	-104.3	-14.5	109.3	K492 L500 E568	K492-R496 PolarHBondContact O-N 2.77Å; R496-L500 HydrophobicContact CG-CD1 3.99Å; R496-L500 WeakPolarHBondContact O-CB 3.4Å; R496-L500 VanDerWaalsContact O-CD1 3.24Å; R496-L500 WeakPolarHBondContact O-CD1 3.22Å; R496-L500 VanDerWaalsContact O-CG 3.25Å; R496-L500 WeakPolarHBondContact O-CG 3.09Å; R496-L500 PolarHBondContact O-N 3.27Å; R496-E568 IonicContact CZ-OE1 3.04Å; R496-E568 IonicContact CZ-OE2 2.72Å; R496-E568 VanDerWaalsContact CZ-OE2 3.23Å; R496-E568 IonicContact NH1-OE1 3.18Å; R496-E568 PolarHBondContact NH1-OE1 3.12Å; R496-E568 IonicContact NH1-OE2 2.74Å; R496-E568 PolarHBondContact NH1-OE2 2.94Å; R496-E568 IonicContact NH2-OE1 3.18Å; R496-E568 IonicContact NH2-OE2 2.84Å; R496-E568 PolarHBondContact NH2-OE2 2.89Å
497	L	48.2	Very low	47.5	Very low	82 Å²	82	81.8 Å²	81.8	43%	0.429	41%	0.407	S	S	.	.	H	α-helix	trans	-72.5	-39.9	178.3	-167.2	146.4	0	0	0	113.7	E493 Q494 L500 I501	E493-L497 WeakPolarHBondContact O-CB 3.36Å; E493-L497 PolarHBondContact O-N 3.45Å; Q494-L497 CarbonylContact O-C 3.49Å; Q494-L497 WeakPolarHBondContact O-CB 3.31Å; Q494-L497 PolarHBondContact O-N 3.41Å; L497-L500 PolarHBondContact O-N 2.77Å; L497-I501 HydrophobicContact CD2-CD1 3.6Å; L497-I501 HydrophobicContact CD2-CG1 4.38Å; L497-I501 WeakPolarHBondContact O-CB 3.22Å; L497-I501 WeakPolarHBondContact O-CG1 3.23Å; L497-I501 PolarHBondContact O-N 2.8Å
498	E	52.2	Low	48.3	Very low	102 Å²	102	79.7 Å²	79.7	48%	0.477	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-42	170.7	-74.2	-179.9	161.1	0	0	112.2	Q494 Q495 L500 I501 R502	Q494-E498 WeakPolarHBondContact O-CG 3.18Å; Q494-E498 PolarHBondContact O-N 3.25Å; Q495-E498 HydrophobicContact CG-CG 4.48Å; Q495-E498 WeakPolarHBondContact CG-OE2 3.16Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.19Å; E498-I501 CarbonylContact O-C 3.58Å; E498-I501 PolarHBondContact O-N 2.71Å; E498-R502 WeakPolarHBondContact O-CB 3.18Å; E498-R502 PolarHBondContact O-N 3.48Å
499	E	51.4	Low	49	Very low	64 Å²	64	75.9 Å²	75.9	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-37.2	176.1	175.9	58.6	-164.4	0	0	111.7	Q495 R502 Q503	Q495-E499 WeakPolarHBondContact O-CB 3.22Å; Q495-E499 PolarHBondContact O-N 3.38Å; E499-R502 WeakPolarHBondContact O-CB 3.19Å; E499-R502 PolarHBondContact O-N 3.39Å; E499-R502 IonicContact OE1-CZ 3.6Å; E499-R502 IonicContact OE1-NE 2.81Å; E499-R502 IonicContact OE1-NH2 3.2Å; E499-R502 PolarHBondContact OE1-NH2 3.37Å; E499-R502 IonicContact OE2-CZ 2.86Å; E499-R502 IonicContact OE2-NE 3.4Å; E499-R502 PolarHBondContact OE2-NE 3.4Å; E499-R502 IonicContact OE2-NH2 3.52Å; E499-R502 PolarHBondContact OE2-NH2 2.73Å; E499-Q503 WeakPolarHBondContact O-CG 3.49Å; E499-Q503 PolarHBondContact O-N 2.89Å; E499-Q503 PolarHBondContact OE1-NE2 2.88Å
500	L	48.4	Very low	49.7	Very low	49 Å²	49	75.1 Å²	75.1	26%	0.257	38%	0.383	S	S	.	.	H	α-helix	trans	-68.4	-38.7	173	-79	158.4	0	0	0	112.1	R496 L497 E498 R502 Q503 H504 W564	R496-L500 HydrophobicContact CG-CD1 3.99Å; R496-L500 WeakPolarHBondContact O-CB 3.4Å; R496-L500 VanDerWaalsContact O-CD1 3.24Å; R496-L500 WeakPolarHBondContact O-CD1 3.22Å; R496-L500 VanDerWaalsContact O-CG 3.25Å; R496-L500 WeakPolarHBondContact O-CG 3.09Å; R496-L500 PolarHBondContact O-N 3.27Å; L497-L500 PolarHBondContact O-N 2.77Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.19Å; L500-R502 VanDerWaalsContact C-N 3.32Å; L500-Q503 PolarHBondContact O-N 2.82Å; L500-H504 VanDerWaalsContact O-CB 3.26Å; L500-H504 WeakPolarHBondContact O-CB 3.34Å; L500-H504 PolarHBondContact O-N 3.14Å; L500-W564 HydrophobicContact CB-CH2 4.5Å; L500-W564 HydrophobicContact CD1-CH2 3.54Å; L500-W564 HydrophobicContact CD1-CZ2 3.35Å; L500-W564 HydrophobicContact CD2-CH2 4.11Å; L500-W564 HydrophobicContact CD2-CZ2 4.13Å; L500-W564 HydrophobicContact CD2-CZ3 4.47Å; L500-W564 HydrophobicContact CG-CH2 4.28Å; L500-W564 HydrophobicContact CG-CZ2 4.35Å
501	I	47.1	Very low	50.2	Low	83 Å²	83	72.7 Å²	72.7	43%	0.426	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-39.3	169.5	-72.5	170.2	0	0	0	110.5	L497 E498 H504 N505	L497-I501 HydrophobicContact CD2-CD1 3.6Å; L497-I501 HydrophobicContact CD2-CG1 4.38Å; L497-I501 WeakPolarHBondContact O-CB 3.22Å; L497-I501 WeakPolarHBondContact O-CG1 3.23Å; L497-I501 PolarHBondContact O-N 2.8Å; E498-I501 CarbonylContact O-C 3.58Å; E498-I501 PolarHBondContact O-N 2.71Å; I501-H504 PolarHBondContact O-N 2.81Å; I501-N505 VanDerWaalsContact O-CB 3.29Å; I501-N505 WeakPolarHBondContact O-CB 3.42Å; I501-N505 PolarHBondContact O-N 3.28Å; I501-N505 PolarHBondContact O-ND2 2.83Å
502	R	58.6	Low	51	Low	154 Å²	154	77 Å²	77	58%	0.581	39%	0.387	S	S	*	.	H	α-helix	trans	-64.8	-40.3	177	-163.6	177.8	70.8	91.6	6.1	111.7	E498 E499 L500 A506	E498-R502 WeakPolarHBondContact O-CB 3.18Å; E498-R502 PolarHBondContact O-N 3.48Å; E499-R502 WeakPolarHBondContact O-CB 3.19Å; E499-R502 PolarHBondContact O-N 3.39Å; E499-R502 IonicContact OE1-CZ 3.6Å; E499-R502 IonicContact OE1-NE 2.81Å; E499-R502 IonicContact OE1-NH2 3.2Å; E499-R502 PolarHBondContact OE1-NH2 3.37Å; E499-R502 IonicContact OE2-CZ 2.86Å; E499-R502 IonicContact OE2-NE 3.4Å; E499-R502 PolarHBondContact OE2-NE 3.4Å; E499-R502 IonicContact OE2-NH2 3.52Å; E499-R502 PolarHBondContact OE2-NH2 2.73Å; L500-R502 VanDerWaalsContact C-N 3.32Å; R502-A506 WeakPolarHBondContact O-CB 3.42Å; R502-A506 PolarHBondContact O-N 3.16Å
503	Q	51.6	Low	51.7	Low	101 Å²	101	77.9 Å²	77.9	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-70.5	-38.1	174.4	-70.2	174.2	21.6	0	0	112.4	E499 L500 A506 T507	E499-Q503 WeakPolarHBondContact O-CG 3.49Å; E499-Q503 PolarHBondContact O-N 2.89Å; E499-Q503 PolarHBondContact OE1-NE2 2.88Å; L500-Q503 PolarHBondContact O-N 2.82Å; Q503-A506 PolarHBondContact O-N 3.31Å; Q503-T507 PolarHBondContact O-N 3.04Å; Q503-T507 PolarHBondContact O-OG1 3.36Å
504	H	51.5	Low	52.4	Low	80 Å²	80	76.9 Å²	76.9	37%	0.37	39%	0.394	S	S	.	.	H	α-helix	trans	-64.6	-45.2	174	-173.9	59.1	0	0	0	111.8	L500 I501 A506 T507 I508	L500-H504 VanDerWaalsContact O-CB 3.26Å; L500-H504 WeakPolarHBondContact O-CB 3.34Å; L500-H504 PolarHBondContact O-N 3.14Å; I501-H504 PolarHBondContact O-N 2.81Å; H504-A506 VanDerWaalsContact C-N 3.33Å; H504-A506 PolarHBondContact O-N 3.08Å; H504-T507 WeakPolarHBondContact CA-OG1 3.33Å; H504-T507 PolarHBondContact O-N 2.92Å; H504-T507 PolarHBondContact O-OG1 2.82Å; H504-I508 WeakPolarHBondContact O-CG1 3.24Å; H504-I508 PolarHBondContact O-N 2.57Å
505	N	53.2	Low	52.7	Low	77 Å²	77	75.2 Å²	75.2	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-66.1	-35.2	175.2	-70.6	-15.5	0	0	0	111.9	I501 A509	I501-N505 VanDerWaalsContact O-CB 3.29Å; I501-N505 WeakPolarHBondContact O-CB 3.42Å; I501-N505 PolarHBondContact O-N 3.28Å; I501-N505 PolarHBondContact O-ND2 2.83Å; N505-A509 VanDerWaalsContact O-CB 3.24Å; N505-A509 WeakPolarHBondContact O-CB 3.33Å; N505-A509 PolarHBondContact O-N 3.4Å
506	A	53.2	Low	53.3	Low	60 Å²	60	80.6 Å²	80.6	50%	0.496	41%	0.411	S	S	.	.	H	α-helix	trans	-66.5	-39.2	173.1	0	0	0	0	0	112.4	R502 Q503 H504 A510	R502-A506 WeakPolarHBondContact O-CB 3.42Å; R502-A506 PolarHBondContact O-N 3.16Å; Q503-A506 PolarHBondContact O-N 3.31Å; H504-A506 VanDerWaalsContact C-N 3.33Å; H504-A506 PolarHBondContact O-N 3.08Å; A506-A510 WeakPolarHBondContact O-CB 3.45Å; A506-A510 PolarHBondContact O-N 2.84Å
507	T	53.4	Low	54.4	Low	59 Å²	59	78 Å²	78	36%	0.362	41%	0.407	S	S	.	.	H	α-helix	trans	-68.3	-44.1	173.4	30.4	0	0	0	0	111.7	Q503 H504 A509 A510 L511	Q503-T507 PolarHBondContact O-N 3.04Å; Q503-T507 PolarHBondContact O-OG1 3.36Å; H504-T507 WeakPolarHBondContact CA-OG1 3.33Å; H504-T507 PolarHBondContact O-N 2.92Å; H504-T507 PolarHBondContact O-OG1 2.82Å; T507-A509 PolarHBondContact O-N 3.12Å; T507-A510 PolarHBondContact O-N 3.39Å; T507-L511 WeakPolarHBondContact O-CB 3.15Å; T507-L511 PolarHBondContact O-N 3.23Å
508	I	51	Low	54.9	Low	63 Å²	63	75.8 Å²	75.8	32%	0.323	40%	0.396	S	S	.	.	H	α-helix	trans	-58.6	-44.9	173.2	-71.1	171.2	0	0	0	111.2	H504 A510 L511 Q512	H504-I508 WeakPolarHBondContact O-CG1 3.24Å; H504-I508 PolarHBondContact O-N 2.57Å; I508-A510 PolarHBondContact O-N 2.74Å; I508-L511 WeakPolarHBondContact O-CB 3.2Å; I508-L511 PolarHBondContact O-N 3.35Å; I508-Q512 HydrophobicContact CG2-CG 4.28Å; I508-Q512 WeakPolarHBondContact O-CB 3.13Å; I508-Q512 WeakPolarHBondContact O-CG 3.12Å; I508-Q512 PolarHBondContact O-N 2.88Å
509	A	53	Low	55.5	Low	43 Å²	43	76.7 Å²	76.7	36%	0.355	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-37.4	177.8	0	0	0	0	0	112.2	N505 T507 N513	N505-A509 VanDerWaalsContact O-CB 3.24Å; N505-A509 WeakPolarHBondContact O-CB 3.33Å; N505-A509 PolarHBondContact O-N 3.4Å; T507-A509 PolarHBondContact O-N 3.12Å; A509-N513 WeakPolarHBondContact O-CB 3.45Å; A509-N513 PolarHBondContact O-N 3.35Å; A509-N513 PolarHBondContact O-ND2 3.06Å
510	A	53.9	Low	56.3	Low	47 Å²	47	79.1 Å²	79.1	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-42.5	171.8	0	0	0	0	0	111.6	A506 T507 I508 N513 S514	A506-A510 WeakPolarHBondContact O-CB 3.45Å; A506-A510 PolarHBondContact O-N 2.84Å; T507-A510 PolarHBondContact O-N 3.39Å; I508-A510 PolarHBondContact O-N 2.74Å; A510-N513 PolarHBondContact O-N 2.83Å; A510-S514 PolarHBondContact O-N 2.68Å
511	L	49.6	Very low	56.8	Low	51 Å²	51	80.1 Å²	80.1	27%	0.267	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-48.8	178.3	-123	163.2	0	0	0	112.1	T507 I508 N513 S514 I515 Q554	T507-L511 WeakPolarHBondContact O-CB 3.15Å; T507-L511 PolarHBondContact O-N 3.23Å; I508-L511 WeakPolarHBondContact O-CB 3.2Å; I508-L511 PolarHBondContact O-N 3.35Å; L511-N513 VanDerWaalsContact C-N 3.3Å; L511-N513 PolarHBondContact O-N 3.21Å; L511-S514 PolarHBondContact O-N 2.88Å; L511-S514 VanDerWaalsContact O-N 3.16Å; L511-I515 HydrophobicContact CD2-CD1 3.71Å; L511-I515 HydrophobicContact CD2-CG1 4.15Å; L511-I515 WeakPolarHBondContact O-CB 3.19Å; L511-I515 WeakPolarHBondContact O-CG1 3.49Å; L511-I515 PolarHBondContact O-N 3.48Å; L511-Q554 HydrophobicContact CD1-CG 4.26Å; L511-Q554 HydrophobicContact CD2-CG 4.46Å
512	Q	61.8	Low	57.1	Low	130 Å²	130	79.9 Å²	79.9	61%	0.607	41%	0.411	S	S	*	.	H	α-helix	trans	-60.4	-40.1	175.1	-73.3	-176.8	0.6	0	0	111.4	I508 K516	I508-Q512 HydrophobicContact CG2-CG 4.28Å; I508-Q512 WeakPolarHBondContact O-CB 3.13Å; I508-Q512 WeakPolarHBondContact O-CG 3.12Å; I508-Q512 PolarHBondContact O-N 2.88Å; Q512-K516 WeakPolarHBondContact O-CB 3.24Å; Q512-K516 PolarHBondContact O-N 2.86Å
513	N	62.7	Low	57.5	Low	101 Å²	101	79.6 Å²	79.6	54%	0.54	41%	0.414	S	S	.	.	H	α-helix	trans	-67.6	-38.6	174.3	-79.8	-60	0	0	0	112.4	A509 A510 L511 K516 T517	A509-N513 WeakPolarHBondContact O-CB 3.45Å; A509-N513 PolarHBondContact O-N 3.35Å; A509-N513 PolarHBondContact O-ND2 3.06Å; A510-N513 PolarHBondContact O-N 2.83Å; L511-N513 VanDerWaalsContact C-N 3.3Å; L511-N513 PolarHBondContact O-N 3.21Å; N513-K516 PolarHBondContact O-N 2.74Å; N513-T517 WeakPolarHBondContact O-CG2 3.31Å; N513-T517 PolarHBondContact O-N 3.24Å; N513-T517 PolarHBondContact O-OG1 2.79Å
514	S	54.4	Low	58.2	Low	25 Å²	25	79.6 Å²	79.6	18%	0.175	42%	0.417	C	S	.	.	H	α-helix	trans	-61.8	-55.5	173.7	-156.2	0	0	0	0	110.4	A510 L511 K516 T517 D518	A510-S514 PolarHBondContact O-N 2.68Å; L511-S514 PolarHBondContact O-N 2.88Å; L511-S514 VanDerWaalsContact O-N 3.16Å; S514-K516 VanDerWaalsContact C-N 3.26Å; S514-K516 PolarHBondContact O-N 3.04Å; S514-T517 CarbonylContact O-C 3.43Å; S514-T517 PolarHBondContact O-N 2.73Å; S514-T517 PolarHBondContact O-OG1 3.28Å; S514-D518 WeakPolarHBondContact O-CB 3.34Å; S514-D518 PolarHBondContact O-N 2.7Å; S514-D518 PolarHBondContact OG-OD2 3.47Å
515	I	53.3	Low	58.3	Low	83 Å²	83	77.5 Å²	77.5	43%	0.426	41%	0.409	S	S	.	.	H	α-helix	trans	-52.8	-43.5	176.6	-68.1	166.8	0	0	0	110.9	L511 D518 Q519	L511-I515 HydrophobicContact CD2-CD1 3.71Å; L511-I515 HydrophobicContact CD2-CG1 4.15Å; L511-I515 WeakPolarHBondContact O-CB 3.19Å; L511-I515 WeakPolarHBondContact O-CG1 3.49Å; L511-I515 PolarHBondContact O-N 3.48Å; I515-D518 PolarHBondContact O-N 2.71Å; I515-Q519 HydrophobicContact CG2-CG 4.33Å; I515-Q519 VanDerWaalsContact O-CB 3.27Å; I515-Q519 WeakPolarHBondContact O-CB 3.46Å; I515-Q519 VanDerWaalsContact O-CG 3.24Å; I515-Q519 WeakPolarHBondContact O-CG 3.33Å; I515-Q519 PolarHBondContact O-N 2.78Å
516	K	65.2	Low	58.1	Low	131 Å²	131	76.8 Å²	76.8	57%	0.57	41%	0.41	S	S	*	.	H	α-helix	trans	-69.9	-35	179.4	-163	170.7	-169.4	171.5	0	112.5	Q512 N513 S514 Q520	Q512-K516 WeakPolarHBondContact O-CB 3.24Å; Q512-K516 PolarHBondContact O-N 2.86Å; N513-K516 PolarHBondContact O-N 2.74Å; S514-K516 VanDerWaalsContact C-N 3.26Å; S514-K516 PolarHBondContact O-N 3.04Å; K516-Q520 WeakPolarHBondContact O-CB 3.28Å; K516-Q520 VanDerWaalsContact O-CG 3.31Å; K516-Q520 WeakPolarHBondContact O-CG 3.29Å; K516-Q520 PolarHBondContact O-N 3.5Å; K516-Q520 VanDerWaalsContact O-N 3.09Å
517	T	68.1	Low	58.6	Low	52 Å²	52	78 Å²	78	32%	0.319	41%	0.407	S	S	.	.	H	α-helix	trans	-74.4	-33.1	171.7	53.4	0	0	0	0	113.3	N513 S514 Q520 R521	N513-T517 WeakPolarHBondContact O-CG2 3.31Å; N513-T517 PolarHBondContact O-N 3.24Å; N513-T517 PolarHBondContact O-OG1 2.79Å; S514-T517 CarbonylContact O-C 3.43Å; S514-T517 PolarHBondContact O-N 2.73Å; S514-T517 PolarHBondContact O-OG1 3.28Å; T517-Q520 CarbonylContact O-C 3.55Å; T517-Q520 PolarHBondContact O-N 3.06Å; T517-R521 WeakPolarHBondContact O-CG 3.47Å; T517-R521 PolarHBondContact O-N 3.33Å
518	D	59.4	Low	58.4	Low	36 Å²	36	76.7 Å²	76.7	19%	0.193	40%	0.396	C	S	.	.	H	α-helix	trans	-78.3	-33.8	177.7	-69.5	-45.1	0	0	0	111.7	S514 I515 Q520 R521 L522	S514-D518 WeakPolarHBondContact O-CB 3.34Å; S514-D518 PolarHBondContact O-N 2.7Å; S514-D518 PolarHBondContact OG-OD2 3.47Å; I515-D518 PolarHBondContact O-N 2.71Å; D518-Q520 VanDerWaalsContact C-N 3.35Å; D518-R521 PolarHBondContact O-N 2.89Å; D518-R521 VanDerWaalsContact OD1-CD 3.25Å; D518-R521 WeakPolarHBondContact OD1-CD 3.16Å; D518-R521 IonicContact OD1-CZ 3.68Å; D518-R521 IonicContact OD1-NE 2.95Å; D518-R521 IonicContact OD1-NH1 3.89Å; D518-R521 PolarHBondContact OD1-NH1 3.46Å; D518-L522 WeakPolarHBondContact O-CB 3.37Å; D518-L522 WeakPolarHBondContact O-CG 3.29Å; D518-L522 PolarHBondContact O-N 2.87Å
519	Q	63.8	Low	58.2	Low	122 Å²	122	75.6 Å²	75.6	57%	0.57	39%	0.388	S	S	*	.	H	α-helix	trans	-61.2	-41.1	163.9	-77	178	1.4	0	0	111.6	I515 K523	I515-Q519 HydrophobicContact CG2-CG 4.33Å; I515-Q519 VanDerWaalsContact O-CB 3.27Å; I515-Q519 WeakPolarHBondContact O-CB 3.46Å; I515-Q519 VanDerWaalsContact O-CG 3.24Å; I515-Q519 WeakPolarHBondContact O-CG 3.33Å; I515-Q519 PolarHBondContact O-N 2.78Å; Q519-K523 VanDerWaalsContact O-CB 3.23Å; Q519-K523 WeakPolarHBondContact O-CB 3.41Å; Q519-K523 PolarHBondContact O-N 2.72Å
520	Q	68.1	Low	57.8	Low	114 Å²	114	81.1 Å²	81.1	53%	0.533	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-37	173	-77.5	-176.6	12.4	0	0	112.4	K516 T517 D518 K523 N524	K516-Q520 WeakPolarHBondContact O-CB 3.28Å; K516-Q520 VanDerWaalsContact O-CG 3.31Å; K516-Q520 WeakPolarHBondContact O-CG 3.29Å; K516-Q520 PolarHBondContact O-N 3.5Å; K516-Q520 VanDerWaalsContact O-N 3.09Å; T517-Q520 CarbonylContact O-C 3.55Å; T517-Q520 PolarHBondContact O-N 3.06Å; D518-Q520 VanDerWaalsContact C-N 3.35Å; Q520-K523 PolarHBondContact O-N 2.8Å; Q520-N524 VanDerWaalsContact O-CB 3.25Å; Q520-N524 WeakPolarHBondContact O-CB 3.45Å; Q520-N524 PolarHBondContact O-N 3.29Å; Q520-N524 PolarHBondContact O-ND2 3.44Å
521	R	60.1	Low	57.3	Low	71 Å²	71	82.7 Å²	82.7	27%	0.268	43%	0.428	S	S	.	.	H	α-helix	trans	-63.1	-52.2	171.9	-76.1	165.5	177.3	152.1	4.8	110.9	T517 D518 K523 N524 L525 H1907	T517-R521 WeakPolarHBondContact O-CG 3.47Å; T517-R521 PolarHBondContact O-N 3.33Å; D518-R521 PolarHBondContact O-N 2.89Å; D518-R521 VanDerWaalsContact OD1-CD 3.25Å; D518-R521 WeakPolarHBondContact OD1-CD 3.16Å; D518-R521 IonicContact OD1-CZ 3.68Å; D518-R521 IonicContact OD1-NE 2.95Å; D518-R521 IonicContact OD1-NH1 3.89Å; D518-R521 PolarHBondContact OD1-NH1 3.46Å; R521-K523 VanDerWaalsContact C-N 3.28Å; R521-K523 PolarHBondContact O-N 3.43Å; R521-N524 PolarHBondContact O-N 3.2Å; R521-N524 VanDerWaalsContact O-N 3.17Å; R521-L525 HydrophobicContact CB-CD1 4.28Å; R521-L525 WeakPolarHBondContact O-CB 3.17Å; R521-L525 WeakPolarHBondContact O-CG 3.26Å; R521-L525 PolarHBondContact O-N 3.14Å; R521-H1907 PolarHBondContact NH2-CD2 3.44Å; R521-H1907 PolarHBondContact NH2-NE2 3.12Å
522	L	54.2	Low	57.2	Low	78 Å²	78	84.3 Å²	84.3	41%	0.408	44%	0.436	S	S	.	.	H	α-helix	trans	-54.8	-43.5	176.4	-77.4	160.7	0	0	0	111.4	D518 L525 S526 W539	D518-L522 WeakPolarHBondContact O-CB 3.37Å; D518-L522 WeakPolarHBondContact O-CG 3.29Å; D518-L522 PolarHBondContact O-N 2.87Å; L522-L525 PolarHBondContact O-N 2.85Å; L522-S526 VanDerWaalsContact O-CB 3.27Å; L522-S526 WeakPolarHBondContact O-CB 3.48Å; L522-S526 PolarHBondContact O-N 3.32Å; L522-S526 PolarHBondContact O-OG 2.86Å; L522-S526 VanDerWaalsContact O-OG 3.13Å; L522-W539 HydrophobicContact CD2-CH2 3.89Å; L522-W539 HydrophobicContact CD2-CZ3 4.41Å
523	K	66.6	Low	56.3	Low	148 Å²	148	81.1 Å²	81.1	64%	0.643	42%	0.422	S	S	*	.	H	α-helix	trans	-69.9	-37.3	177.3	-171.2	164.4	-171.3	158.2	0	113.8	Q519 Q520 R521 S526 I527	Q519-K523 VanDerWaalsContact O-CB 3.23Å; Q519-K523 WeakPolarHBondContact O-CB 3.41Å; Q519-K523 PolarHBondContact O-N 2.72Å; Q520-K523 PolarHBondContact O-N 2.8Å; R521-K523 VanDerWaalsContact C-N 3.28Å; R521-K523 PolarHBondContact O-N 3.43Å; K523-S526 PolarHBondContact O-OG 3.48Å; K523-I527 WeakPolarHBondContact O-CD1 3.39Å; K523-I527 WeakPolarHBondContact O-CG1 3.5Å; K523-I527 PolarHBondContact O-N 3.18Å
524	N	65.1	Low	56.2	Low	101 Å²	101	82.9 Å²	82.9	54%	0.54	43%	0.427	S	S	.	.	H	α-helix	trans	-73.3	-32.9	175	-68.4	-17.3	0	0	0	111.3	Q520 R521 K528	Q520-N524 VanDerWaalsContact O-CB 3.25Å; Q520-N524 WeakPolarHBondContact O-CB 3.45Å; Q520-N524 PolarHBondContact O-N 3.29Å; Q520-N524 PolarHBondContact O-ND2 3.44Å; R521-N524 PolarHBondContact O-N 3.2Å; R521-N524 VanDerWaalsContact O-N 3.17Å; N524-K528 VanDerWaalsContact O-CB 3.27Å; N524-K528 WeakPolarHBondContact O-CB 3.34Å; N524-K528 PolarHBondContact O-N 3.1Å
525	L	53.9	Low	56.4	Low	35 Å²	35	83.5 Å²	83.5	18%	0.183	43%	0.432	C	S	.	.	H	α-helix	trans	-85	-27.8	-177.7	-65	170.2	0	0	0	112.8	R521 L522 I527 K528 Y529 W539	R521-L525 HydrophobicContact CB-CD1 4.28Å; R521-L525 WeakPolarHBondContact O-CB 3.17Å; R521-L525 WeakPolarHBondContact O-CG 3.26Å; R521-L525 PolarHBondContact O-N 3.14Å; L522-L525 PolarHBondContact O-N 2.85Å; L525-I527 VanDerWaalsContact C-N 3.31Å; L525-K528 HydrophobicContact CD2-CB 4.43Å; L525-K528 HydrophobicContact CD2-CD 4.22Å; L525-K528 PolarHBondContact O-N 3.41Å; L525-Y529 HydrophobicContact CB-CD2 4.29Å; L525-Y529 HydrophobicContact CB-CE2 4.48Å; L525-Y529 HydrophobicContact CD2-CD2 4.46Å; L525-Y529 HydrophobicContact CD2-CE2 3.95Å; L525-Y529 WeakPolarHBondContact O-CD2 3.31Å; L525-Y529 PolarHBondContact O-N 3.34Å; L525-W539 HydrophobicContact CB-CH2 4.11Å; L525-W539 HydrophobicContact CB-CZ3 4.33Å; L525-W539 HydrophobicContact CD1-CH2 3.68Å; L525-W539 HydrophobicContact CD1-CZ2 3.33Å
526	S	50.2	Low	56.5	Low	63 Å²	63	81.5 Å²	81.5	44%	0.441	42%	0.421	S	S	.	.	H	α-helix	trans	-69.6	-29.4	169.3	67.1	0	0	0	0	112.5	L522 K523 Q530	L522-S526 VanDerWaalsContact O-CB 3.27Å; L522-S526 WeakPolarHBondContact O-CB 3.48Å; L522-S526 PolarHBondContact O-N 3.32Å; L522-S526 PolarHBondContact O-OG 2.86Å; L522-S526 VanDerWaalsContact O-OG 3.13Å; K523-S526 PolarHBondContact O-OG 3.48Å; S526-Q530 WeakPolarHBondContact O-CG 3.35Å
527	I	63.1	Low	56.3	Low	84 Å²	84	76.9 Å²	76.9	43%	0.431	40%	0.403	S	S	.	.	H	α-helix	trans	-68.4	-53.7	164.4	-65.7	166.7	0	0	0	109.2	K523 L525 Y529 Q530	K523-I527 WeakPolarHBondContact O-CD1 3.39Å; K523-I527 WeakPolarHBondContact O-CG1 3.5Å; K523-I527 PolarHBondContact O-N 3.18Å; L525-I527 VanDerWaalsContact C-N 3.31Å; I527-Y529 VanDerWaalsContact C-N 3.33Å; I527-Y529 PolarHBondContact O-N 3.4Å; I527-Q530 WeakPolarHBondContact O-CB 3.4Å; I527-Q530 WeakPolarHBondContact O-CG 3.3Å; I527-Q530 PolarHBondContact O-N 3.04Å; I527-Q530 VanDerWaalsContact O-N 3.17Å
528	K	49.3	Very low	56.2	Low	32 Å²	32	81.8 Å²	81.8	14%	0.139	42%	0.423	C	S	.	.	H	α-helix	trans	-61.3	-32.9	-171	-172.2	159.5	-160.9	-171	0	116.1	N524 L525 E1829 N1833 E1896	N524-K528 VanDerWaalsContact O-CB 3.27Å; N524-K528 WeakPolarHBondContact O-CB 3.34Å; N524-K528 PolarHBondContact O-N 3.1Å; L525-K528 HydrophobicContact CD2-CB 4.43Å; L525-K528 HydrophobicContact CD2-CD 4.22Å; L525-K528 PolarHBondContact O-N 3.41Å; K528-E1829 WeakPolarHBondContact CB-OE2 3.24Å; K528-E1829 WeakPolarHBondContact CD-OE2 3Å; K528-E1829 HydrophobicContact CG-CG 4Å; K528-E1829 VanDerWaalsContact CG-OE2 3.24Å; K528-E1829 WeakPolarHBondContact CG-OE2 3.28Å; K528-N1833 PolarHBondContact O-ND2 3.18Å; K528-E1896 IonicContact NZ-OE1 2.75Å; K528-E1896 PolarHBondContact NZ-OE1 3.13Å; K528-E1896 IonicContact NZ-OE2 3.81Å; K528-E1896 PolarHBondContact NZ-OE2 2.84Å
529	Y	47.4	Very low	56.2	Low	40 Å²	40	82.4 Å²	82.4	16%	0.157	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	22	-179.4	-66.8	-64.9	0	0	0	113.7	L525 I527 G531	L525-Y529 HydrophobicContact CB-CD2 4.29Å; L525-Y529 HydrophobicContact CB-CE2 4.48Å; L525-Y529 HydrophobicContact CD2-CD2 4.46Å; L525-Y529 HydrophobicContact CD2-CE2 3.95Å; L525-Y529 WeakPolarHBondContact O-CD2 3.31Å; L525-Y529 PolarHBondContact O-N 3.34Å; I527-Y529 VanDerWaalsContact C-N 3.33Å; I527-Y529 PolarHBondContact O-N 3.4Å; Y529-G531 PolarHBondContact O-N 3.09Å
530	Q	42.6	Very low	55.9	Low	160 Å²	160	79.9 Å²	79.9	75%	0.748	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	78.5	163	-71.5	-168.8	-36.4	0	0	111.1	S526 I527	S526-Q530 WeakPolarHBondContact O-CG 3.35Å; I527-Q530 WeakPolarHBondContact O-CB 3.4Å; I527-Q530 WeakPolarHBondContact O-CG 3.3Å; I527-Q530 PolarHBondContact O-N 3.04Å; I527-Q530 VanDerWaalsContact O-N 3.17Å
531	G	43.5	Very low	55.8	Low	80 Å²	80	82.1 Å²	82.1	83%	0.825	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	159.3	-19.8	172.1	0	0	0	0	0	117.3	Y529	Y529-G531 PolarHBondContact O-N 3.09Å
532	D	48.3	Very low	56.1	Low	84 Å²	84	80.7 Å²	80.7	45%	0.449	42%	0.423	S	S	.	.			trans	-132.7	92	-175.6	178.6	18.7	0	0	0	112.5	Q534 S535 Q536	D532-Q534 VanDerWaalsContact C-N 3.34Å; D532-Q534 PolarHBondContact O-N 2.83Å; D532-Q534 PolarHBondContact OD1-N 3.46Å; D532-S535 PolarHBondContact O-OG 3.15Å; D532-S535 WeakPolarHBondContact OD2-CB 3.33Å; D532-S535 PolarHBondContact OD2-OG 2.79Å; D532-Q536 WeakPolarHBondContact O-CB 3.39Å; D532-Q536 PolarHBondContact O-N 3.38Å; D532-Q536 VanDerWaalsContact O-N 3.16Å
533	M	43.6	Very low	56.3	Low	63 Å²	63	77.8 Å²	77.8	31%	0.31	41%	0.408	S	S	.	.	H	α-helix	trans	-63.6	-33.6	-174.9	-169.2	-157.9	-67.5	0	0	113.1	Q536 T537	M533-Q536 CarbonylContact O-C 3.02Å; M533-Q536 WeakPolarHBondContact O-CB 3.48Å; M533-Q536 PolarHBondContact O-N 2.82Å; M533-T537 PolarHBondContact O-N 2.88Å; M533-T537 PolarHBondContact O-OG1 3.32Å
534	Q	60.4	Low	56.1	Low	138 Å²	138	75.2 Å²	75.2	65%	0.645	40%	0.404	S	S	*	.	H	α-helix	trans	-74.5	-43	-175.1	-79.8	-166.6	-16.6	0	0	112.6	D532 Q536 T537 Q538	D532-Q534 VanDerWaalsContact C-N 3.34Å; D532-Q534 PolarHBondContact O-N 2.83Å; D532-Q534 PolarHBondContact OD1-N 3.46Å; Q534-Q536 VanDerWaalsContact C-N 3.25Å; Q534-Q536 PolarHBondContact O-N 2.9Å; Q534-T537 PolarHBondContact O-N 3.11Å; Q534-Q538 PolarHBondContact O-N 3.36Å
535	S	58.6	Low	56	Low	38 Å²	38	72.8 Å²	72.8	27%	0.266	40%	0.398	S	S	.	.	H	α-helix	trans	-67.2	-32.1	172.2	67.5	0	0	0	0	111.1	D532 W539	D532-S535 PolarHBondContact O-OG 3.15Å; D532-S535 WeakPolarHBondContact OD2-CB 3.33Å; D532-S535 PolarHBondContact OD2-OG 2.79Å; S535-W539 WeakPolarHBondContact O-CB 3.49Å; S535-W539 PolarHBondContact O-N 2.64Å
536	Q	54.2	Low	56.2	Low	42 Å²	42	74.4 Å²	74.4	20%	0.196	40%	0.402	C	S	.	.	H	α-helix	trans	-63.3	-41.9	170.6	-162.4	176.7	18.9	0	0	112.4	D532 M533 Q534 W539 L540	D532-Q536 WeakPolarHBondContact O-CB 3.39Å; D532-Q536 PolarHBondContact O-N 3.38Å; D532-Q536 VanDerWaalsContact O-N 3.16Å; M533-Q536 CarbonylContact O-C 3.02Å; M533-Q536 WeakPolarHBondContact O-CB 3.48Å; M533-Q536 PolarHBondContact O-N 2.82Å; Q534-Q536 VanDerWaalsContact C-N 3.25Å; Q534-Q536 PolarHBondContact O-N 2.9Å; Q536-W539 PolarHBondContact O-N 3.07Å; Q536-L540 HydrophobicContact CG-CD1 4.12Å; Q536-L540 VanDerWaalsContact O-CB 3.28Å; Q536-L540 WeakPolarHBondContact O-CB 3.24Å; Q536-L540 WeakPolarHBondContact O-CG 3.29Å; Q536-L540 PolarHBondContact O-N 3.44Å
537	T	60.9	Low	56.4	Low	34 Å²	34	75.1 Å²	75.1	21%	0.209	40%	0.4	C	S	.	.	H	α-helix	trans	-69.5	-42.9	177.6	-5.2	0	0	0	0	112.3	M533 Q534 W539 L540 R541 Y890	M533-T537 PolarHBondContact O-N 2.88Å; M533-T537 PolarHBondContact O-OG1 3.32Å; Q534-T537 PolarHBondContact O-N 3.11Å; T537-W539 VanDerWaalsContact C-N 3.33Å; T537-L540 PolarHBondContact O-N 3.16Å; T537-R541 WeakPolarHBondContact O-CG 2.87Å; T537-R541 PolarHBondContact O-N 3.16Å; T537-Y890 HydrophobicContact CG2-CD2 4.29Å; T537-Y890 HydrophobicContact CG2-CE2 4.26Å
538	Q	67.1	Low	55.9	Low	154 Å²	154	72.9 Å²	72.9	72%	0.72	40%	0.398	S	S	*	.	H	α-helix	trans	-65.5	-38.3	176.4	-72.1	-169.5	0.1	0	0	111.7	Q534 G542	Q534-Q538 PolarHBondContact O-N 3.36Å; Q538-G542 PolarHBondContact O-N 2.72Å; Q538-G542 VanDerWaalsContact O-N 3.12Å
539	W	60	Low	56.3	Low	49 Å²	49	75.6 Å²	75.6	19%	0.186	41%	0.414	C	S	.	.	H	α-helix	trans	-66.2	-47.9	173.5	179.4	63	0	0	0	111.4	L522 L525 S535 Q536 T537 R541 G542 E543	L522-W539 HydrophobicContact CD2-CH2 3.89Å; L522-W539 HydrophobicContact CD2-CZ3 4.41Å; L525-W539 HydrophobicContact CB-CH2 4.11Å; L525-W539 HydrophobicContact CB-CZ3 4.33Å; L525-W539 HydrophobicContact CD1-CH2 3.68Å; L525-W539 HydrophobicContact CD1-CZ2 3.33Å; S535-W539 WeakPolarHBondContact O-CB 3.49Å; S535-W539 PolarHBondContact O-N 2.64Å; Q536-W539 PolarHBondContact O-N 3.07Å; T537-W539 VanDerWaalsContact C-N 3.33Å; W539-R541 PolarHBondContact O-N 2.7Å; W539-G542 CarbonylContact O-C 3.19Å; W539-G542 WeakPolarHBondContact O-CA 2.92Å; W539-G542 PolarHBondContact O-N 3.04Å; W539-E543 VanDerWaalsContact CE2-CD 3.49Å; W539-E543 HydrophobicContact CH2-CB 4.45Å; W539-E543 HydrophobicContact CH2-CG 4Å; W539-E543 HydrophobicContact CZ2-CB 4.05Å; W539-E543 HydrophobicContact CZ2-CG 3.48Å; W539-E543 VanDerWaalsContact CZ2-CG 3.48Å; W539-E543 WeakPolarHBondContact CZ2-OE1 3.38Å; W539-E543 PolarHBondContact NE1-OE2 3.44Å; W539-E543 WeakPolarHBondContact O-CB 3.43Å; W539-E543 PolarHBondContact O-N 2.8Å
540	L	55.6	Low	56.6	Low	69 Å²	69	77 Å²	77	36%	0.361	42%	0.423	S	S	.	.	H	α-helix	trans	-58.6	-42.3	177.2	-77.4	169.2	0	0	0	112.3	Q536 T537 G542 E543 V544	Q536-L540 HydrophobicContact CG-CD1 4.12Å; Q536-L540 VanDerWaalsContact O-CB 3.28Å; Q536-L540 WeakPolarHBondContact O-CB 3.24Å; Q536-L540 WeakPolarHBondContact O-CG 3.29Å; Q536-L540 PolarHBondContact O-N 3.44Å; T537-L540 PolarHBondContact O-N 3.16Å; L540-G542 VanDerWaalsContact C-N 3.32Å; L540-G542 PolarHBondContact O-N 3.02Å; L540-E543 PolarHBondContact O-N 3.25Å; L540-V544 WeakPolarHBondContact O-CB 3.36Å; L540-V544 VanDerWaalsContact O-CG2 3.27Å; L540-V544 WeakPolarHBondContact O-CG2 3.45Å; L540-V544 PolarHBondContact O-N 2.97Å
541	R	67.6	Low	57	Low	162 Å²	162	73.2 Å²	73.2	61%	0.611	41%	0.407	S	S	*	.	H	α-helix	trans	-61.7	-39.1	173	-73.6	-176.4	179.3	-169.5	1.5	112.3	T537 W539 A545	T537-R541 WeakPolarHBondContact O-CG 2.87Å; T537-R541 PolarHBondContact O-N 3.16Å; W539-R541 PolarHBondContact O-N 2.7Å; R541-A545 WeakPolarHBondContact O-CB 2.9Å; R541-A545 PolarHBondContact O-N 3.46Å
542	G	66.8	Low	58.1	Low	41 Å²	41	73.1 Å²	73.1	42%	0.423	39%	0.385	S	S	.	.	H	α-helix	trans	-70.3	-30.8	174.9	0	0	0	0	0	114.1	Q538 W539 L540 R546	Q538-G542 PolarHBondContact O-N 2.72Å; Q538-G542 VanDerWaalsContact O-N 3.12Å; W539-G542 CarbonylContact O-C 3.19Å; W539-G542 WeakPolarHBondContact O-CA 2.92Å; W539-G542 PolarHBondContact O-N 3.04Å; L540-G542 VanDerWaalsContact C-N 3.32Å; L540-G542 PolarHBondContact O-N 3.02Å; G542-R546 PolarHBondContact O-N 3.12Å; G542-R546 VanDerWaalsContact O-N 3.16Å
543	E	56.7	Low	58.7	Low	17 Å²	17	72.6 Å²	72.6	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-80.7	-40.4	178.3	-142.4	74.6	-180	0	0	111.2	W539 L540 A545 R546 I547	W539-E543 VanDerWaalsContact CE2-CD 3.49Å; W539-E543 HydrophobicContact CH2-CB 4.45Å; W539-E543 HydrophobicContact CH2-CG 4Å; W539-E543 HydrophobicContact CZ2-CB 4.05Å; W539-E543 HydrophobicContact CZ2-CG 3.48Å; W539-E543 VanDerWaalsContact CZ2-CG 3.48Å; W539-E543 WeakPolarHBondContact CZ2-OE1 3.38Å; W539-E543 PolarHBondContact NE1-OE2 3.44Å; W539-E543 WeakPolarHBondContact O-CB 3.43Å; W539-E543 PolarHBondContact O-N 2.8Å; L540-E543 PolarHBondContact O-N 3.25Å; E543-A545 VanDerWaalsContact C-N 3.29Å; E543-A545 PolarHBondContact O-N 3.39Å; E543-R546 PolarHBondContact O-N 2.79Å; E543-R546 IonicContact OE1-CZ 2.83Å; E543-R546 IonicContact OE1-NH1 3.76Å; E543-R546 PolarHBondContact OE1-NH1 3.24Å; E543-R546 IonicContact OE1-NH2 3.23Å; E543-R546 PolarHBondContact OE1-NH2 2.82Å; E543-R546 IonicContact OE2-CZ 3.51Å; E543-R546 IonicContact OE2-NH1 3.61Å; E543-R546 IonicContact OE2-NH2 3.44Å; E543-R546 PolarHBondContact OE2-NH2 2.77Å; E543-I547 HydrophobicContact CG-CD1 4.34Å; E543-I547 WeakPolarHBondContact O-CB 2.94Å; E543-I547 WeakPolarHBondContact O-CG1 3.47Å; E543-I547 PolarHBondContact O-N 3.35Å
544	V	63.6	Low	59	Low	94 Å²	94	72.6 Å²	72.6	57%	0.57	38%	0.378	S	S	*	.	H	α-helix	trans	-62.1	-37.4	170.7	169.4	0	0	0	0	110.8	L540 G548	L540-V544 WeakPolarHBondContact O-CB 3.36Å; L540-V544 VanDerWaalsContact O-CG2 3.27Å; L540-V544 WeakPolarHBondContact O-CG2 3.45Å; L540-V544 PolarHBondContact O-N 2.97Å; V544-G548 PolarHBondContact O-N 2.71Å
545	A	61.7	Low	59.1	Low	50 Å²	50	71 Å²	71	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-61.3	-50.1	170.5	0	0	0	0	0	111.7	R541 E543 I547 G548 D549	R541-A545 WeakPolarHBondContact O-CB 2.9Å; R541-A545 PolarHBondContact O-N 3.46Å; E543-A545 VanDerWaalsContact C-N 3.29Å; E543-A545 PolarHBondContact O-N 3.39Å; A545-I547 VanDerWaalsContact C-N 3.35Å; A545-I547 PolarHBondContact O-N 2.88Å; A545-G548 CarbonylContact O-C 3.47Å; A545-G548 WeakPolarHBondContact O-CA 3.43Å; A545-G548 PolarHBondContact O-N 3.5Å; A545-G548 VanDerWaalsContact O-N 3.14Å; A545-D549 PolarHBondContact O-N 2.78Å
546	R	59.4	Low	59.4	Low	69 Å²	69	72.4 Å²	72.4	26%	0.26	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-34.9	178.9	-156.7	-151.8	-54	126.9	13.5	113	G542 E543 G548 D549 L550	G542-R546 PolarHBondContact O-N 3.12Å; G542-R546 VanDerWaalsContact O-N 3.16Å; E543-R546 PolarHBondContact O-N 2.79Å; E543-R546 IonicContact OE1-CZ 2.83Å; E543-R546 IonicContact OE1-NH1 3.76Å; E543-R546 PolarHBondContact OE1-NH1 3.24Å; E543-R546 IonicContact OE1-NH2 3.23Å; E543-R546 PolarHBondContact OE1-NH2 2.82Å; E543-R546 IonicContact OE2-CZ 3.51Å; E543-R546 IonicContact OE2-NH1 3.61Å; E543-R546 IonicContact OE2-NH2 3.44Å; E543-R546 PolarHBondContact OE2-NH2 2.77Å; R546-G548 VanDerWaalsContact C-N 3.34Å; R546-D549 PolarHBondContact O-N 2.98Å; R546-L550 VanDerWaalsContact O-CB 3.25Å; R546-L550 WeakPolarHBondContact O-CB 3.41Å; R546-L550 PolarHBondContact O-N 3.2Å
547	I	53.9	Low	59.2	Low	77 Å²	77	74.2 Å²	74.2	40%	0.395	39%	0.385	S	S	.	.	H	α-helix	trans	-68.2	-37.7	173.9	-70.6	164.4	0	0	0	109.7	E543 A545 L550 I551	E543-I547 HydrophobicContact CG-CD1 4.34Å; E543-I547 WeakPolarHBondContact O-CB 2.94Å; E543-I547 WeakPolarHBondContact O-CG1 3.47Å; E543-I547 PolarHBondContact O-N 3.35Å; A545-I547 VanDerWaalsContact C-N 3.35Å; A545-I547 PolarHBondContact O-N 2.88Å; I547-L550 PolarHBondContact O-N 3.11Å; I547-I551 HydrophobicContact CG2-CD1 3.67Å; I547-I551 HydrophobicContact CG2-CG1 4.28Å; I547-I551 VanDerWaalsContact O-CB 3.27Å; I547-I551 WeakPolarHBondContact O-CB 3.34Å; I547-I551 WeakPolarHBondContact O-CG1 3.44Å; I547-I551 PolarHBondContact O-N 2.86Å
548	G	52.5	Low	58.8	Low	38 Å²	38	76 Å²	76	39%	0.392	40%	0.396	S	S	.	.	H	α-helix	trans	-62.9	-45	171.1	0	0	0	0	0	112.8	V544 A545 R546 L550 I551 K552	V544-G548 PolarHBondContact O-N 2.71Å; A545-G548 CarbonylContact O-C 3.47Å; A545-G548 WeakPolarHBondContact O-CA 3.43Å; A545-G548 PolarHBondContact O-N 3.5Å; A545-G548 VanDerWaalsContact O-N 3.14Å; R546-G548 VanDerWaalsContact C-N 3.34Å; G548-L550 VanDerWaalsContact C-N 3.35Å; G548-L550 PolarHBondContact O-N 3.48Å; G548-I551 PolarHBondContact O-N 3.41Å; G548-K552 WeakPolarHBondContact O-CB 3.28Å; G548-K552 PolarHBondContact O-N 2.87Å
549	D	58.5	Low	58.5	Low	89 Å²	89	72.1 Å²	72.1	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-61.3	-42.3	174.3	-69.1	-33.5	0	0	0	111.2	A545 R546 K552 E553	A545-D549 PolarHBondContact O-N 2.78Å; R546-D549 PolarHBondContact O-N 2.98Å; D549-K552 PolarHBondContact O-N 2.99Å; D549-E553 PolarHBondContact O-N 3.17Å
550	L	52.5	Low	58.1	Low	68 Å²	68	75.5 Å²	75.5	36%	0.356	40%	0.402	S	S	.	.	H	α-helix	trans	-75	-33.5	-179.7	-163.9	149.2	0	0	0	112.6	R546 I547 G548 E553 Q554	R546-L550 VanDerWaalsContact O-CB 3.25Å; R546-L550 WeakPolarHBondContact O-CB 3.41Å; R546-L550 PolarHBondContact O-N 3.2Å; I547-L550 PolarHBondContact O-N 3.11Å; G548-L550 VanDerWaalsContact C-N 3.35Å; G548-L550 PolarHBondContact O-N 3.48Å; L550-E553 PolarHBondContact O-N 2.78Å; L550-Q554 HydrophobicContact CD2-CG 4.46Å; L550-Q554 WeakPolarHBondContact O-CB 3.24Å; L550-Q554 WeakPolarHBondContact O-CG 3.4Å; L550-Q554 PolarHBondContact O-N 2.95Å
551	I	52.2	Low	57.7	Low	81 Å²	81	74.8 Å²	74.8	42%	0.415	40%	0.398	S	S	.	.	H	α-helix	trans	-67.3	-37.3	168.3	-73.4	168.9	0	0	0	110.3	I547 G548 Q554 N555	I547-I551 HydrophobicContact CG2-CD1 3.67Å; I547-I551 HydrophobicContact CG2-CG1 4.28Å; I547-I551 VanDerWaalsContact O-CB 3.27Å; I547-I551 WeakPolarHBondContact O-CB 3.34Å; I547-I551 WeakPolarHBondContact O-CG1 3.44Å; I547-I551 PolarHBondContact O-N 2.86Å; G548-I551 PolarHBondContact O-N 3.41Å; I551-Q554 WeakPolarHBondContact O-CB 3.16Å; I551-Q554 PolarHBondContact O-N 2.78Å; I551-N555 WeakPolarHBondContact O-CB 3.27Å; I551-N555 PolarHBondContact O-N 3.3Å
552	K	66.8	Low	57.2	Low	79 Å²	79	70.1 Å²	70.1	34%	0.343	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-42.8	173.9	-171.8	178.4	176.6	-175.3	0	111.1	G548 D549 Q554 N555 E556	G548-K552 WeakPolarHBondContact O-CB 3.28Å; G548-K552 PolarHBondContact O-N 2.87Å; D549-K552 PolarHBondContact O-N 2.99Å; K552-Q554 VanDerWaalsContact C-N 3.34Å; K552-Q554 PolarHBondContact O-N 2.79Å; K552-N555 PolarHBondContact O-N 2.72Å; K552-E556 WeakPolarHBondContact O-CB 3.39Å; K552-E556 PolarHBondContact O-N 2.69Å
553	E	59.8	Low	56.9	Low	73 Å²	73	70.8 Å²	70.8	34%	0.341	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-38.9	173.2	-174.4	168.5	177.6	0	0	111.7	D549 L550 E556 Q557	D549-E553 PolarHBondContact O-N 3.17Å; L550-E553 PolarHBondContact O-N 2.78Å; E553-E556 PolarHBondContact O-N 3.1Å; E553-Q557 HydrophobicContact CG-CG 4.42Å; E553-Q557 WeakPolarHBondContact O-CB 3.03Å; E553-Q557 VanDerWaalsContact O-CG 3.3Å; E553-Q557 WeakPolarHBondContact O-CG 3.48Å; E553-Q557 PolarHBondContact O-N 3.18Å; E553-Q557 PolarHBondContact OE1-NE2 3.23Å; E553-Q557 VanDerWaalsContact OE1-NE2 3.13Å
554	Q	50.3	Low	57	Low	62 Å²	62	74 Å²	74	29%	0.29	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-47.6	169.9	-82.1	-166.3	-103.3	0	0	112.1	L511 L550 I551 K552 E556 Q557 V558	L511-Q554 HydrophobicContact CD1-CG 4.26Å; L511-Q554 HydrophobicContact CD2-CG 4.46Å; L550-Q554 HydrophobicContact CD2-CG 4.46Å; L550-Q554 WeakPolarHBondContact O-CB 3.24Å; L550-Q554 WeakPolarHBondContact O-CG 3.4Å; L550-Q554 PolarHBondContact O-N 2.95Å; I551-Q554 WeakPolarHBondContact O-CB 3.16Å; I551-Q554 PolarHBondContact O-N 2.78Å; K552-Q554 VanDerWaalsContact C-N 3.34Å; K552-Q554 PolarHBondContact O-N 2.79Å; Q554-E556 VanDerWaalsContact C-N 3.33Å; Q554-E556 PolarHBondContact O-N 2.86Å; Q554-Q557 PolarHBondContact O-N 2.96Å; Q554-V558 WeakPolarHBondContact O-CB 3.27Å; Q554-V558 VanDerWaalsContact O-CG2 3.26Å; Q554-V558 WeakPolarHBondContact O-CG2 3.49Å; Q554-V558 PolarHBondContact O-N 3.32Å
555	N	63.2	Low	56.4	Low	104 Å²	104	72.3 Å²	72.3	56%	0.556	39%	0.386	S	S	*	.	H	α-helix	trans	-65.4	-37.3	179.8	-76.3	-10.8	0	0	0	111.4	I551 K552 S559	I551-N555 WeakPolarHBondContact O-CB 3.27Å; I551-N555 PolarHBondContact O-N 3.3Å; K552-N555 PolarHBondContact O-N 2.72Å; N555-S559 WeakPolarHBondContact O-CB 3.46Å; N555-S559 PolarHBondContact O-N 2.78Å
556	E	64.5	Low	56.1	Low	68 Å²	68	72.9 Å²	72.9	32%	0.318	39%	0.387	S	S	.	.	H	α-helix	trans	-64.5	-44	170.7	-85.5	-167.1	-133.5	0	0	112.1	K552 E553 Q554 K560	K552-E556 WeakPolarHBondContact O-CB 3.39Å; K552-E556 PolarHBondContact O-N 2.69Å; E553-E556 PolarHBondContact O-N 3.1Å; Q554-E556 VanDerWaalsContact C-N 3.33Å; Q554-E556 PolarHBondContact O-N 2.86Å; E556-K560 VanDerWaalsContact O-CB 3.27Å; E556-K560 WeakPolarHBondContact O-CB 3.37Å; E556-K560 WeakPolarHBondContact O-CD 3.43Å; E556-K560 WeakPolarHBondContact O-CG 3.4Å; E556-K560 PolarHBondContact O-N 2.72Å; E556-K560 IonicContact OE2-NZ 3.72Å; E556-K560 PolarHBondContact OE2-NZ 3.48Å
557	Q	49.7	Very low	56	Low	80 Å²	80	72.8 Å²	72.8	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-67.9	-41.7	177.7	-73.6	-173.8	27.4	0	0	111.6	E553 Q554 K560 I561	E553-Q557 HydrophobicContact CG-CG 4.42Å; E553-Q557 WeakPolarHBondContact O-CB 3.03Å; E553-Q557 VanDerWaalsContact O-CG 3.3Å; E553-Q557 WeakPolarHBondContact O-CG 3.48Å; E553-Q557 PolarHBondContact O-N 3.18Å; E553-Q557 PolarHBondContact OE1-NE2 3.23Å; E553-Q557 VanDerWaalsContact OE1-NE2 3.13Å; Q554-Q557 PolarHBondContact O-N 2.96Å; Q557-K560 PolarHBondContact O-N 2.71Å; Q557-I561 WeakPolarHBondContact O-CB 3.29Å; Q557-I561 WeakPolarHBondContact O-CD1 3.12Å; Q557-I561 WeakPolarHBondContact O-CG1 3.46Å; Q557-I561 PolarHBondContact O-N 2.98Å
558	V	53.3	Low	55.8	Low	71 Å²	71	70 Å²	70	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-46.4	174.1	170.2	0	0	0	0	110.3	Q554 K560 I561 T562	Q554-V558 WeakPolarHBondContact O-CB 3.27Å; Q554-V558 VanDerWaalsContact O-CG2 3.26Å; Q554-V558 WeakPolarHBondContact O-CG2 3.49Å; Q554-V558 PolarHBondContact O-N 3.32Å; V558-K560 VanDerWaalsContact C-N 3.35Å; V558-K560 PolarHBondContact O-N 2.62Å; V558-I561 CarbonylContact O-C 3.44Å; V558-I561 WeakPolarHBondContact O-CA 3.14Å; V558-I561 WeakPolarHBondContact O-CB 3.31Å; V558-I561 PolarHBondContact O-N 2.95Å; V558-T562 PolarHBondContact O-N 3.22Å; V558-T562 PolarHBondContact O-OG1 2.66Å; V558-T562 VanDerWaalsContact O-OG1 3.1Å
559	S	59.8	Low	55.9	Low	73 Å²	73	71.8 Å²	71.8	51%	0.51	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-40.9	175.8	-176.7	0	0	0	0	111.8	N555 I561 T562 A563	N555-S559 WeakPolarHBondContact O-CB 3.46Å; N555-S559 PolarHBondContact O-N 2.78Å; S559-I561 VanDerWaalsContact C-N 3.34Å; S559-I561 PolarHBondContact O-N 3.16Å; S559-T562 PolarHBondContact O-N 2.96Å; S559-A563 VanDerWaalsContact O-CB 3.22Å; S559-A563 WeakPolarHBondContact O-CB 3.36Å; S559-A563 PolarHBondContact O-N 3.09Å
560	K	51.9	Low	56	Low	120 Å²	120	70.2 Å²	70.2	52%	0.522	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-37.5	171.7	-71.4	158.6	-161.2	166.5	0	111.8	E556 Q557 V558 W564	E556-K560 VanDerWaalsContact O-CB 3.27Å; E556-K560 WeakPolarHBondContact O-CB 3.37Å; E556-K560 WeakPolarHBondContact O-CD 3.43Å; E556-K560 WeakPolarHBondContact O-CG 3.4Å; E556-K560 PolarHBondContact O-N 2.72Å; E556-K560 IonicContact OE2-NZ 3.72Å; E556-K560 PolarHBondContact OE2-NZ 3.48Å; Q557-K560 PolarHBondContact O-N 2.71Å; V558-K560 VanDerWaalsContact C-N 3.35Å; V558-K560 PolarHBondContact O-N 2.62Å; K560-W564 WeakPolarHBondContact O-CB 3.12Å; K560-W564 PolarHBondContact O-N 2.88Å
561	I	47.5	Very low	56.3	Low	55 Å²	55	70.8 Å²	70.8	28%	0.282	37%	0.371	S	S	.	.	H	α-helix	trans	-68.9	-40.9	173.7	-72.1	163.3	0	0	0	111.3	Q557 V558 S559 W564 Q565	Q557-I561 WeakPolarHBondContact O-CB 3.29Å; Q557-I561 WeakPolarHBondContact O-CD1 3.12Å; Q557-I561 WeakPolarHBondContact O-CG1 3.46Å; Q557-I561 PolarHBondContact O-N 2.98Å; V558-I561 CarbonylContact O-C 3.44Å; V558-I561 WeakPolarHBondContact O-CA 3.14Å; V558-I561 WeakPolarHBondContact O-CB 3.31Å; V558-I561 PolarHBondContact O-N 2.95Å; S559-I561 VanDerWaalsContact C-N 3.34Å; S559-I561 PolarHBondContact O-N 3.16Å; I561-W564 PolarHBondContact O-N 3.22Å; I561-Q565 HydrophobicContact CG2-CG 4.24Å; I561-Q565 VanDerWaalsContact O-CB 3.26Å; I561-Q565 WeakPolarHBondContact O-CB 3.19Å; I561-Q565 WeakPolarHBondContact O-CG 3.31Å; I561-Q565 PolarHBondContact O-N 2.98Å
562	T	57.4	Low	55.9	Low	64 Å²	64	69.4 Å²	69.4	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-70.7	-42.3	178.4	-57.4	0	0	0	0	111.3	V558 S559 W564 Q565 S566	V558-T562 PolarHBondContact O-N 3.22Å; V558-T562 PolarHBondContact O-OG1 2.66Å; V558-T562 VanDerWaalsContact O-OG1 3.1Å; S559-T562 PolarHBondContact O-N 2.96Å; T562-W564 VanDerWaalsContact C-N 3.34Å; T562-W564 PolarHBondContact O-N 3.36Å; T562-Q565 PolarHBondContact O-N 2.97Å; T562-S566 WeakPolarHBondContact O-CB 3.18Å; T562-S566 PolarHBondContact O-N 3.17Å; T562-S566 PolarHBondContact O-OG 3.05Å
563	A	59	Low	55.1	Low	55 Å²	55	70.4 Å²	70.4	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-40.6	172.3	0	0	0	0	0	111.5	S559 S566 S567	S559-A563 VanDerWaalsContact O-CB 3.22Å; S559-A563 WeakPolarHBondContact O-CB 3.36Å; S559-A563 PolarHBondContact O-N 3.09Å; A563-S566 WeakPolarHBondContact CA-OG 3.42Å; A563-S566 PolarHBondContact O-OG 2.97Å; A563-S567 WeakPolarHBondContact O-CB 3.22Å; A563-S567 PolarHBondContact O-N 3.41Å; A563-S567 PolarHBondContact O-OG 3.34Å
564	W	59	Low	54.9	Low	84 Å²	84	71 Å²	71	32%	0.318	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-48.3	171.8	171.1	68.1	0	0	0	111.4	L500 K560 I561 T562 S566 S567 E568	L500-W564 HydrophobicContact CB-CH2 4.5Å; L500-W564 HydrophobicContact CD1-CH2 3.54Å; L500-W564 HydrophobicContact CD1-CZ2 3.35Å; L500-W564 HydrophobicContact CD2-CH2 4.11Å; L500-W564 HydrophobicContact CD2-CZ2 4.13Å; L500-W564 HydrophobicContact CD2-CZ3 4.47Å; L500-W564 HydrophobicContact CG-CH2 4.28Å; L500-W564 HydrophobicContact CG-CZ2 4.35Å; K560-W564 WeakPolarHBondContact O-CB 3.12Å; K560-W564 PolarHBondContact O-N 2.88Å; I561-W564 PolarHBondContact O-N 3.22Å; T562-W564 VanDerWaalsContact C-N 3.34Å; T562-W564 PolarHBondContact O-N 3.36Å; W564-S566 VanDerWaalsContact C-N 3.32Å; W564-S566 PolarHBondContact O-N 3.24Å; W564-S567 WeakPolarHBondContact CA-OG 3.1Å; W564-S567 CarbonylContact O-C 3.3Å; W564-S567 PolarHBondContact O-N 2.81Å; W564-S567 VanDerWaalsContact O-N 3.1Å; W564-S567 PolarHBondContact O-OG 3.22Å; W564-E568 HydrophobicContact CH2-CB 4.4Å; W564-E568 HydrophobicContact CH2-CG 4.16Å; W564-E568 HydrophobicContact CZ2-CB 3.81Å; W564-E568 HydrophobicContact CZ2-CG 3.52Å; W564-E568 PolarHBondContact NE1-OE2 3.48Å; W564-E568 VanDerWaalsContact O-CB 3.24Å; W564-E568 WeakPolarHBondContact O-CB 3.16Å; W564-E568 PolarHBondContact O-N 2.72Å
565	Q	50.8	Low	54.6	Low	59 Å²	59	69.9 Å²	69.9	28%	0.276	37%	0.371	S	S	.	.	H	α-helix	trans	-60	-37.8	177.6	-80.3	174.7	-5.7	0	0	112.4	I561 T562 E568 R569	I561-Q565 HydrophobicContact CG2-CG 4.24Å; I561-Q565 VanDerWaalsContact O-CB 3.26Å; I561-Q565 WeakPolarHBondContact O-CB 3.19Å; I561-Q565 WeakPolarHBondContact O-CG 3.31Å; I561-Q565 PolarHBondContact O-N 2.98Å; T562-Q565 PolarHBondContact O-N 2.97Å; Q565-E568 PolarHBondContact O-N 3.12Å; Q565-R569 WeakPolarHBondContact O-CB 3.24Å; Q565-R569 PolarHBondContact O-N 3.5Å
566	S	56.7	Low	53.5	Low	62 Å²	62	70.7 Å²	70.7	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-70.6	-41.1	173.2	55.5	0	0	0	0	111.3	T562 A563 W564 E568 R569 S570	T562-S566 WeakPolarHBondContact O-CB 3.18Å; T562-S566 PolarHBondContact O-N 3.17Å; T562-S566 PolarHBondContact O-OG 3.05Å; A563-S566 WeakPolarHBondContact CA-OG 3.42Å; A563-S566 PolarHBondContact O-OG 2.97Å; W564-S566 VanDerWaalsContact C-N 3.32Å; W564-S566 PolarHBondContact O-N 3.24Å; S566-E568 PolarHBondContact O-N 2.79Å; S566-R569 PolarHBondContact O-N 3.35Å; S566-S570 WeakPolarHBondContact O-CB 3.18Å; S566-S570 PolarHBondContact O-N 3.06Å; S566-S570 PolarHBondContact O-OG 3Å
567	S	56.6	Low	52.5	Low	66 Å²	66	72.9 Å²	72.9	46%	0.462	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-33.4	173.7	79.4	0	0	0	0	112.3	A563 W564 R571	A563-S567 WeakPolarHBondContact O-CB 3.22Å; A563-S567 PolarHBondContact O-N 3.41Å; A563-S567 PolarHBondContact O-OG 3.34Å; W564-S567 WeakPolarHBondContact CA-OG 3.1Å; W564-S567 CarbonylContact O-C 3.3Å; W564-S567 PolarHBondContact O-N 2.81Å; W564-S567 VanDerWaalsContact O-N 3.1Å; W564-S567 PolarHBondContact O-OG 3.22Å; S567-R571 WeakPolarHBondContact O-CB 3.18Å; S567-R571 PolarHBondContact O-N 2.55Å
568	E	49.4	Very low	52.4	Low	20 Å²	20	75.7 Å²	75.7	9%	0.093	40%	0.401	C	S	.	.	H	α-helix	trans	-80.9	-40	-179.5	-167	68	-134.1	0	0	111.4	R496 W564 Q565 S566 R571 L572	R496-E568 IonicContact CZ-OE1 3.04Å; R496-E568 IonicContact CZ-OE2 2.72Å; R496-E568 VanDerWaalsContact CZ-OE2 3.23Å; R496-E568 IonicContact NH1-OE1 3.18Å; R496-E568 PolarHBondContact NH1-OE1 3.12Å; R496-E568 IonicContact NH1-OE2 2.74Å; R496-E568 PolarHBondContact NH1-OE2 2.94Å; R496-E568 IonicContact NH2-OE1 3.18Å; R496-E568 IonicContact NH2-OE2 2.84Å; R496-E568 PolarHBondContact NH2-OE2 2.89Å; W564-E568 HydrophobicContact CH2-CB 4.4Å; W564-E568 HydrophobicContact CH2-CG 4.16Å; W564-E568 HydrophobicContact CZ2-CB 3.81Å; W564-E568 HydrophobicContact CZ2-CG 3.52Å; W564-E568 PolarHBondContact NE1-OE2 3.48Å; W564-E568 VanDerWaalsContact O-CB 3.24Å; W564-E568 WeakPolarHBondContact O-CB 3.16Å; W564-E568 PolarHBondContact O-N 2.72Å; Q565-E568 PolarHBondContact O-N 3.12Å; S566-E568 PolarHBondContact O-N 2.79Å; E568-R571 WeakPolarHBondContact O-CB 3.42Å; E568-R571 PolarHBondContact O-N 2.86Å; E568-R571 IonicContact OE1-CZ 2.72Å; E568-R571 IonicContact OE1-NE 3.51Å; E568-R571 PolarHBondContact OE1-NE 3.33Å; E568-R571 IonicContact OE1-NH2 2.71Å; E568-R571 PolarHBondContact OE1-NH2 2.67Å; E568-R571 IonicContact OE2-NE 2.71Å; E568-L572 HydrophobicContact CG-CD1 4.35Å; E568-L572 WeakPolarHBondContact O-CB 3.21Å; E568-L572 VanDerWaalsContact O-CG 3.23Å; E568-L572 WeakPolarHBondContact O-CG 3.27Å; E568-L572 PolarHBondContact O-N 3.42Å
569	R	54.1	Low	52	Low	75 Å²	75	77.5 Å²	77.5	28%	0.283	41%	0.405	S	S	.	.	H	α-helix	trans	-58.2	-51	166.7	-95.2	-171.8	168.6	173	-2.2	109.8	Q565 S566 R571 L572 E573 Q1029 E1032	Q565-R569 WeakPolarHBondContact O-CB 3.24Å; Q565-R569 PolarHBondContact O-N 3.5Å; S566-R569 PolarHBondContact O-N 3.35Å; R569-R571 VanDerWaalsContact C-N 3.27Å; R569-R571 PolarHBondContact O-N 3.13Å; R569-L572 CarbonylContact O-C 3.56Å; R569-L572 PolarHBondContact O-N 3.17Å; R569-L572 VanDerWaalsContact O-N 3.1Å; R569-E573 WeakPolarHBondContact O-CB 3.45Å; R569-E573 VanDerWaalsContact O-CG 3.28Å; R569-E573 WeakPolarHBondContact O-CG 3.46Å; R569-E573 PolarHBondContact O-N 2.75Å; R569-Q1029 VanDerWaalsContact CZ-CG 3.46Å; R569-Q1029 VanDerWaalsContact NH1-CG 3.31Å; R569-E1032 IonicContact CZ-OE2 2.69Å; R569-E1032 IonicContact NH2-OE2 2.65Å; R569-E1032 PolarHBondContact NH2-OE2 2.85Å
570	S	60.6	Low	50.7	Low	55 Å²	55	84.2 Å²	84.2	39%	0.385	42%	0.419	S	S	.	.	H	α-helix	trans	-65.2	-26.9	176.6	-63.7	0	0	0	0	113.2	S566 N574	S566-S570 WeakPolarHBondContact O-CB 3.18Å; S566-S570 PolarHBondContact O-N 3.06Å; S566-S570 PolarHBondContact O-OG 3Å; S570-N574 VanDerWaalsContact O-CB 3.27Å; S570-N574 WeakPolarHBondContact O-CB 3.36Å; S570-N574 PolarHBondContact O-N 2.78Å; S570-N574 PolarHBondContact O-ND2 3.47Å
571	R	59	Low	49.8	Very low	80 Å²	80	80 Å²	80	30%	0.302	41%	0.409	S	S	.	.	H	α-helix	trans	-68.2	-47.3	169.3	-167.1	-172.2	70.4	85.3	8.7	111	E493 S567 E568 R569 N574 I575	E493-R571 IonicContact OE1-CZ 3.38Å; E493-R571 IonicContact OE1-NH1 2.67Å; E493-R571 PolarHBondContact OE1-NH1 3.13Å; E493-R571 IonicContact OE1-NH2 3.74Å; E493-R571 PolarHBondContact OE1-NH2 3.08Å; S567-R571 WeakPolarHBondContact O-CB 3.18Å; S567-R571 PolarHBondContact O-N 2.55Å; E568-R571 WeakPolarHBondContact O-CB 3.42Å; E568-R571 PolarHBondContact O-N 2.86Å; E568-R571 IonicContact OE1-CZ 2.72Å; E568-R571 IonicContact OE1-NE 3.51Å; E568-R571 PolarHBondContact OE1-NE 3.33Å; E568-R571 IonicContact OE1-NH2 2.71Å; E568-R571 PolarHBondContact OE1-NH2 2.67Å; E568-R571 IonicContact OE2-NE 2.71Å; R569-R571 VanDerWaalsContact C-N 3.27Å; R569-R571 PolarHBondContact O-N 3.13Å; R571-N574 PolarHBondContact O-N 3.16Å; R571-I575 HydrophobicContact CG-CD1 4.02Å; R571-I575 WeakPolarHBondContact O-CB 3.33Å; R571-I575 VanDerWaalsContact O-CG1 3.25Å; R571-I575 WeakPolarHBondContact O-CG1 3.36Å; R571-I575 PolarHBondContact O-N 3.11Å
572	L	44.9	Very low	49.1	Very low	53 Å²	53	79.9 Å²	79.9	28%	0.277	41%	0.413	S	S	.	.	H	α-helix	trans	-66.7	-37.9	178.7	-69.9	167.1	0	0	0	111.9	E493 E568 R569 I575 L576	E493-L572 VanDerWaalsContact OE2-CD2 3.25Å; E493-L572 WeakPolarHBondContact OE2-CD2 3.28Å; E568-L572 HydrophobicContact CG-CD1 4.35Å; E568-L572 WeakPolarHBondContact O-CB 3.21Å; E568-L572 VanDerWaalsContact O-CG 3.23Å; E568-L572 WeakPolarHBondContact O-CG 3.27Å; E568-L572 PolarHBondContact O-N 3.42Å; R569-L572 CarbonylContact O-C 3.56Å; R569-L572 PolarHBondContact O-N 3.17Å; R569-L572 VanDerWaalsContact O-N 3.1Å; L572-I575 PolarHBondContact O-N 3.22Å; L572-L576 WeakPolarHBondContact O-CB 3.47Å; L572-L576 VanDerWaalsContact O-CG 3.25Å; L572-L576 WeakPolarHBondContact O-CG 3.37Å; L572-L576 PolarHBondContact O-N 2.66Å
573	E	50.3	Low	48.2	Very low	99 Å²	99	82.6 Å²	82.6	46%	0.463	43%	0.429	S	S	.	.	H	α-helix	trans	-66	-45.8	172.5	-72.9	170.4	155.6	0	0	111.1	R569 I575 L576 L577	R569-E573 WeakPolarHBondContact O-CB 3.45Å; R569-E573 VanDerWaalsContact O-CG 3.28Å; R569-E573 WeakPolarHBondContact O-CG 3.46Å; R569-E573 PolarHBondContact O-N 2.75Å; E573-I575 VanDerWaalsContact C-N 3.28Å; E573-I575 PolarHBondContact O-N 3.29Å; E573-L576 PolarHBondContact O-N 3.1Å; E573-L577 VanDerWaalsContact O-CB 3.28Å; E573-L577 WeakPolarHBondContact O-CB 3.33Å; E573-L577 WeakPolarHBondContact O-CG 3.28Å; E573-L577 PolarHBondContact O-N 2.82Å
574	N	55.8	Low	47.5	Very low	87 Å²	87	86.5 Å²	86.5	47%	0.465	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-35.8	173.4	-84.3	-69.2	0	0	0	111.9	S570 R571 L577 Q578	S570-N574 VanDerWaalsContact O-CB 3.27Å; S570-N574 WeakPolarHBondContact O-CB 3.36Å; S570-N574 PolarHBondContact O-N 2.78Å; S570-N574 PolarHBondContact O-ND2 3.47Å; R571-N574 PolarHBondContact O-N 3.16Å; N574-L577 PolarHBondContact O-N 3.12Å; N574-Q578 VanDerWaalsContact O-CB 3.22Å; N574-Q578 WeakPolarHBondContact O-CB 3.21Å; N574-Q578 WeakPolarHBondContact O-CG 3.43Å; N574-Q578 PolarHBondContact O-N 3.1Å
575	I	42.4	Very low	46.8	Very low	38 Å²	38	87.7 Å²	87.7	20%	0.195	45%	0.447	C	S	.	.	H	α-helix	trans	-67.3	-44.3	173.8	-76.6	169.2	0	0	0	110.9	R571 L572 E573 L577 Q578 H579	R571-I575 HydrophobicContact CG-CD1 4.02Å; R571-I575 WeakPolarHBondContact O-CB 3.33Å; R571-I575 VanDerWaalsContact O-CG1 3.25Å; R571-I575 WeakPolarHBondContact O-CG1 3.36Å; R571-I575 PolarHBondContact O-N 3.11Å; L572-I575 PolarHBondContact O-N 3.22Å; E573-I575 VanDerWaalsContact C-N 3.28Å; E573-I575 PolarHBondContact O-N 3.29Å; I575-L577 VanDerWaalsContact C-N 3.34Å; I575-L577 PolarHBondContact O-N 3.16Å; I575-Q578 CarbonylContact O-C 3.56Å; I575-Q578 PolarHBondContact O-N 2.92Å; I575-H579 WeakPolarHBondContact O-CB 3.17Å; I575-H579 PolarHBondContact O-N 2.64Å
576	L	40.8	Very low	46.3	Very low	120 Å²	120	88.8 Å²	88.8	63%	0.628	46%	0.458	S	S	*	.	H	α-helix	trans	-65.8	-34.2	175.5	-75.4	164.8	0	0	0	112.5	L572 E573 H579 R580	L572-L576 WeakPolarHBondContact O-CB 3.47Å; L572-L576 VanDerWaalsContact O-CG 3.25Å; L572-L576 WeakPolarHBondContact O-CG 3.37Å; L572-L576 PolarHBondContact O-N 2.66Å; E573-L576 PolarHBondContact O-N 3.1Å; L576-H579 CarbonylContact O-C 3.56Å; L576-H579 PolarHBondContact O-N 2.87Å; L576-R580 PolarHBondContact O-N 2.8Å
577	L	44	Very low	46.4	Very low	114 Å²	114	90.5 Å²	90.5	60%	0.597	46%	0.459	S	S	*	.	H	α-helix	trans	-72.5	-41.2	173.9	-72.8	166.2	0	0	0	111.6	E573 N574 I575 H579 R580	E573-L577 VanDerWaalsContact O-CB 3.28Å; E573-L577 WeakPolarHBondContact O-CB 3.33Å; E573-L577 WeakPolarHBondContact O-CG 3.28Å; E573-L577 PolarHBondContact O-N 2.82Å; N574-L577 PolarHBondContact O-N 3.12Å; I575-L577 VanDerWaalsContact C-N 3.34Å; I575-L577 PolarHBondContact O-N 3.16Å; L577-H579 VanDerWaalsContact C-N 3.25Å; L577-H579 PolarHBondContact O-N 3.45Å; L577-R580 PolarHBondContact O-N 2.65Å
578	Q	46.6	Very low	46.7	Very low	140 Å²	140	93.2 Å²	93.2	65%	0.654	47%	0.465	S	S	*	.	H	α-helix	trans	-73.2	-14.6	172.6	-70.7	174	8.4	0	0	113.2	N574 I575	N574-Q578 VanDerWaalsContact O-CB 3.22Å; N574-Q578 WeakPolarHBondContact O-CB 3.21Å; N574-Q578 WeakPolarHBondContact O-CG 3.43Å; N574-Q578 PolarHBondContact O-N 3.1Å; I575-Q578 CarbonylContact O-C 3.56Å; I575-Q578 PolarHBondContact O-N 2.92Å
579	H	44.7	Very low	46.7	Very low	109 Å²	109	98 Å²	98	51%	0.505	48%	0.482	S	S	.	.	H	α-helix	trans	-105.5	1.3	175.2	-65	-13	0	0	0	113.5	I575 L576 L577 G581	I575-H579 WeakPolarHBondContact O-CB 3.17Å; I575-H579 PolarHBondContact O-N 2.64Å; L576-H579 CarbonylContact O-C 3.56Å; L576-H579 PolarHBondContact O-N 2.87Å; L577-H579 VanDerWaalsContact C-N 3.25Å; L577-H579 PolarHBondContact O-N 3.45Å; H579-G581 PolarHBondContact O-N 3.28Å
580	R	33.6	Very low	46.9	Very low	214 Å²	214	97.9 Å²	97.9	81%	0.808	49%	0.486	S	S	*	.	S	Bend	trans	-74.7	58.6	146.5	-76.1	-173.5	170.6	-170.9	-1.6	110	L576 L577	L576-R580 PolarHBondContact O-N 2.8Å; L577-R580 PolarHBondContact O-N 2.65Å
581	G	32.5	Very low	47.2	Very low	31 Å²	31	98.7 Å²	98.7	32%	0.32	49%	0.486	S	S	.	.			trans	-58.5	160	172.3	0	0	0	0	0	111.4	H579 E585	H579-G581 PolarHBondContact O-N 3.28Å; G581-E585 VanDerWaalsContact CA-OE2 3.23Å; G581-E585 WeakPolarHBondContact CA-OE2 3.32Å
582	S	32.5	Very low	47.6	Very low	53 Å²	53	100.6 Å²	100.6	37%	0.371	50%	0.5	S	S	.	.			trans	-58.5	146.8	-177	179.4	0	0	0	0	110.5	E584 E585 V586	S582-E584 PolarHBondContact O-N 2.81Å; S582-E584 WeakPolarHBondContact OG-CB 3.38Å; S582-E584 PolarHBondContact OG-N 2.91Å; S582-E584 VanDerWaalsContact OG-N 3.15Å; S582-E584 PolarHBondContact OG-OE2 3.36Å; S582-E585 PolarHBondContact N-OE2 3.16Å; S582-E585 PolarHBondContact O-N 2.82Å; S582-V586 PolarHBondContact O-N 2.86Å
583	V	38.2	Very low	48.4	Very low	120 Å²	120	100 Å²	100	73%	0.727	50%	0.496	S	S	*	.	H	α-helix	trans	-52.1	-30.3	168.1	178	0	0	0	0	110.2	Q587	V583-Q587 VanDerWaalsContact O-CB 3.28Å; V583-Q587 WeakPolarHBondContact O-CB 3.32Å; V583-Q587 PolarHBondContact O-N 3.2Å
584	E	45.8	Very low	49.3	Very low	137 Å²	137	102.4 Å²	102.4	64%	0.64	50%	0.502	S	S	*	.	H	α-helix	trans	-68	-34.8	174.7	-60.8	172.4	117.5	0	0	113.7	S582 Q587 Q588	S582-E584 PolarHBondContact O-N 2.81Å; S582-E584 WeakPolarHBondContact OG-CB 3.38Å; S582-E584 PolarHBondContact OG-N 2.91Å; S582-E584 VanDerWaalsContact OG-N 3.15Å; S582-E584 PolarHBondContact OG-OE2 3.36Å; E584-Q587 PolarHBondContact O-N 2.93Å; E584-Q588 VanDerWaalsContact O-CB 3.32Å; E584-Q588 WeakPolarHBondContact O-CB 3.17Å; E584-Q588 VanDerWaalsContact O-CG 3.22Å; E584-Q588 WeakPolarHBondContact O-CG 3.47Å; E584-Q588 PolarHBondContact O-N 2.79Å
585	E	43.2	Very low	50.1	Low	110 Å²	110	102.5 Å²	102.5	51%	0.514	50%	0.502	S	S	.	.	H	α-helix	trans	-71.8	-39.9	177	-68	-179.3	116.5	0	0	111.3	G581 S582 Q588 R589	G581-E585 VanDerWaalsContact CA-OE2 3.23Å; G581-E585 WeakPolarHBondContact CA-OE2 3.32Å; S582-E585 PolarHBondContact N-OE2 3.16Å; S582-E585 PolarHBondContact O-N 2.82Å; E585-Q588 PolarHBondContact O-N 3.38Å; E585-R589 PolarHBondContact O-N 3Å
586	V	40.8	Very low	51	Low	82 Å²	82	103.6 Å²	103.6	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-45.4	172.1	-179.2	0	0	0	0	109.9	S582 Q588 R589 I590	S582-V586 PolarHBondContact O-N 2.86Å; V586-Q588 PolarHBondContact O-N 3.22Å; V586-R589 PolarHBondContact O-N 2.63Å; V586-I590 HydrophobicContact CG1-CD1 4.06Å; V586-I590 WeakPolarHBondContact O-CG1 3.21Å; V586-I590 PolarHBondContact O-N 2.81Å
587	Q	59.4	Low	52.2	Low	98 Å²	98	98.9 Å²	98.9	46%	0.458	48%	0.48	S	S	.	.	H	α-helix	trans	-65.3	-36.6	177.1	-161.4	70.3	15.9	0	0	112.5	V583 E584 N591	V583-Q587 VanDerWaalsContact O-CB 3.28Å; V583-Q587 WeakPolarHBondContact O-CB 3.32Å; V583-Q587 PolarHBondContact O-N 3.2Å; E584-Q587 PolarHBondContact O-N 2.93Å; Q587-N591 WeakPolarHBondContact O-CB 3.35Å; Q587-N591 VanDerWaalsContact O-CG 3.24Å; Q587-N591 PolarHBondContact O-N 3.3Å; Q587-N591 PolarHBondContact O-ND2 2.82Å
588	Q	63	Low	53.4	Low	123 Å²	123	98.8 Å²	98.8	58%	0.575	48%	0.476	S	S	*	.	H	α-helix	trans	-66.5	-40.4	174.4	-79.8	179.3	34.7	0	0	112	E584 E585 V586 N591 M592	E584-Q588 VanDerWaalsContact O-CB 3.32Å; E584-Q588 WeakPolarHBondContact O-CB 3.17Å; E584-Q588 VanDerWaalsContact O-CG 3.22Å; E584-Q588 WeakPolarHBondContact O-CG 3.47Å; E584-Q588 PolarHBondContact O-N 2.79Å; E585-Q588 PolarHBondContact O-N 3.38Å; V586-Q588 PolarHBondContact O-N 3.22Å; Q588-N591 CarbonylContact O-C 3.39Å; Q588-N591 PolarHBondContact O-N 3.46Å; Q588-M592 PolarHBondContact O-N 2.85Å
589	R	48.8	Very low	54.6	Low	121 Å²	121	97.3 Å²	97.3	46%	0.457	47%	0.472	S	S	.	.	H	α-helix	trans	-64.2	-46.9	174.1	-77.6	175.1	167.3	-163.8	-9.5	111.9	S485 E585 V586 N591 M592 D593	S485-R589 PolarHBondContact OG-NH1 2.69Å; S485-R589 PolarHBondContact OG-NH2 2.86Å; E585-R589 PolarHBondContact O-N 3Å; V586-R589 PolarHBondContact O-N 2.63Å; R589-N591 PolarHBondContact O-N 2.81Å; R589-M592 PolarHBondContact O-N 3.17Å; R589-D593 PolarHBondContact O-N 2.93Å
590	I	57.5	Low	55.5	Low	71 Å²	71	93 Å²	93	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-55	-37	172.7	-68.7	166.4	0	0	0	111.7	V586 R594	V586-I590 HydrophobicContact CG1-CD1 4.06Å; V586-I590 WeakPolarHBondContact O-CG1 3.21Å; V586-I590 PolarHBondContact O-N 2.81Å; I590-R594 VanDerWaalsContact O-CB 3.28Å; I590-R594 WeakPolarHBondContact O-CB 3.4Å; I590-R594 WeakPolarHBondContact O-CG 3.26Å; I590-R594 PolarHBondContact O-N 3.12Å
591	N	68.5	Low	57.2	Low	73 Å²	73	83.2 Å²	83.2	39%	0.39	42%	0.418	S	S	.	.	H	α-helix	trans	-74.6	-33.7	175.4	-71.9	-27.6	0	0	0	113.5	Q587 Q588 R589 N595	Q587-N591 WeakPolarHBondContact O-CB 3.35Å; Q587-N591 VanDerWaalsContact O-CG 3.24Å; Q587-N591 PolarHBondContact O-N 3.3Å; Q587-N591 PolarHBondContact O-ND2 2.82Å; Q588-N591 CarbonylContact O-C 3.39Å; Q588-N591 PolarHBondContact O-N 3.46Å; R589-N591 PolarHBondContact O-N 2.81Å; N591-N595 PolarHBondContact O-N 3.15Å; N591-N595 VanDerWaalsContact O-N 3.07Å; N591-N595 PolarHBondContact O-ND2 3.14Å
592	M	67.4	Low	59.1	Low	120 Å²	120	86.7 Å²	86.7	59%	0.591	43%	0.433	S	S	*	.	H	α-helix	trans	-68.1	-46.3	172.9	-78	-170.8	165.1	0	0	111.6	Q588 R589 R594 N595 Y596	Q588-M592 PolarHBondContact O-N 2.85Å; R589-M592 PolarHBondContact O-N 3.17Å; M592-R594 VanDerWaalsContact C-N 3.34Å; M592-R594 PolarHBondContact O-N 3.45Å; M592-N595 CarbonylContact O-C 3.54Å; M592-N595 WeakPolarHBondContact O-CA 3.42Å; M592-N595 WeakPolarHBondContact O-CB 3.46Å; M592-N595 PolarHBondContact O-N 3.41Å; M592-Y596 PolarHBondContact O-N 3.39Å
593	D	60.8	Low	60.7	Low	39 Å²	39	89.3 Å²	89.3	21%	0.209	44%	0.438	C	S	.	.	H	α-helix	trans	-69.7	-34	-178.4	-59.5	-29.1	0	0	0	110.8	S483 R589 Y596 L597	S483-D593 PolarHBondContact OG-OD1 3.24Å; R589-D593 PolarHBondContact O-N 2.93Å; D593-Y596 PolarHBondContact O-N 2.95Å; D593-L597 WeakPolarHBondContact O-CB 3.49Å; D593-L597 WeakPolarHBondContact O-CG 3.19Å; D593-L597 PolarHBondContact O-N 2.78Å
594	R	69	Low	61.5	Low	151 Å²	151	89.5 Å²	89.5	57%	0.57	43%	0.426	S	S	*	.	H	α-helix	trans	-60.6	-44.3	165.6	-85.8	-179.3	164	161.1	-1.8	113	I590 M592 Y596 L597 Q598	I590-R594 VanDerWaalsContact O-CB 3.28Å; I590-R594 WeakPolarHBondContact O-CB 3.4Å; I590-R594 WeakPolarHBondContact O-CG 3.26Å; I590-R594 PolarHBondContact O-N 3.12Å; M592-R594 VanDerWaalsContact C-N 3.34Å; M592-R594 PolarHBondContact O-N 3.45Å; R594-Y596 VanDerWaalsContact C-N 3.3Å; R594-Y596 PolarHBondContact O-N 2.93Å; R594-L597 PolarHBondContact O-N 2.78Å; R594-Q598 WeakPolarHBondContact O-CB 3.33Å; R594-Q598 PolarHBondContact O-N 3.02Å
595	N	72.8	Confident	62.1	Low	89 Å²	89	91.9 Å²	91.9	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-64.2	-35.3	175.1	-80.2	-57.2	0	0	0	111.7	N591 M592 N599	N591-N595 PolarHBondContact O-N 3.15Å; N591-N595 VanDerWaalsContact O-N 3.07Å; N591-N595 PolarHBondContact O-ND2 3.14Å; M592-N595 CarbonylContact O-C 3.54Å; M592-N595 WeakPolarHBondContact O-CA 3.42Å; M592-N595 WeakPolarHBondContact O-CB 3.46Å; M592-N595 PolarHBondContact O-N 3.41Å; N595-N599 WeakPolarHBondContact O-CB 3.42Å; N595-N599 PolarHBondContact O-N 3.25Å; N595-N599 PolarHBondContact O-ND2 3.19Å
596	Y	61.6	Low	62.9	Low	60 Å²	60	89.2 Å²	89.2	24%	0.235	43%	0.429	C	S	.	.	H	α-helix	trans	-67.6	-48.7	175.4	178.2	-115.9	0	0	0	111.9	Q481 M592 D593 R594 Q598 N599 L600	Q481-Y596 WeakPolarHBondContact O-CE2 3.31Å; Q481-Y596 PolarHBondContact O-OH 2.84Å; M592-Y596 PolarHBondContact O-N 3.39Å; D593-Y596 PolarHBondContact O-N 2.95Å; R594-Y596 VanDerWaalsContact C-N 3.3Å; R594-Y596 PolarHBondContact O-N 2.93Å; Y596-Q598 VanDerWaalsContact C-N 3.31Å; Y596-Q598 PolarHBondContact O-N 3.23Å; Y596-N599 PolarHBondContact O-N 2.8Å; Y596-L600 HydrophobicContact CD1-CD1 4.04Å; Y596-L600 HydrophobicContact CE1-CD1 3.54Å; Y596-L600 HydrophobicContact CE1-CG 4.48Å; Y596-L600 HydrophobicContact CE2-CD1 4.24Å; Y596-L600 HydrophobicContact CE2-CG 4.38Å; Y596-L600 PolarHBondContact O-N 3.01Å
597	L	65.1	Low	64.4	Low	22 Å²	22	87.6 Å²	87.6	12%	0.115	42%	0.421	C	S	.	.	H	α-helix	trans	-60.7	-37.8	173.7	-74.4	166.1	0	0	0	112.2	D593 R594 L600 A601 V608 L611 E612	D593-L597 WeakPolarHBondContact O-CB 3.49Å; D593-L597 WeakPolarHBondContact O-CG 3.19Å; D593-L597 PolarHBondContact O-N 2.78Å; R594-L597 PolarHBondContact O-N 2.78Å; L597-L600 PolarHBondContact O-N 2.65Å; L597-A601 WeakPolarHBondContact O-CB 3.46Å; L597-A601 PolarHBondContact O-N 2.84Å; L597-V608 HydrophobicContact CB-CG1 4.21Å; L597-L611 HydrophobicContact CD2-CD2 4.37Å; L597-E612 HydrophobicContact CD1-CG 3.9Å; L597-E612 HydrophobicContact CD2-CG 4.43Å
598	Q	70.7	Confident	64.8	Low	112 Å²	112	84.9 Å²	84.9	52%	0.523	41%	0.411	S	S	.	.	H	α-helix	trans	-70.7	-31.8	176.9	-165.1	168.4	36.7	0	0	112.5	R594 Y596 T602 V608	R594-Q598 WeakPolarHBondContact O-CB 3.33Å; R594-Q598 PolarHBondContact O-N 3.02Å; Y596-Q598 VanDerWaalsContact C-N 3.31Å; Y596-Q598 PolarHBondContact O-N 3.23Å; Q598-T602 PolarHBondContact O-N 3.35Å; Q598-T602 PolarHBondContact O-OG1 2.97Å; Q598-V608 HydrophobicContact CB-CG2 4.29Å; Q598-V608 HydrophobicContact CG-CG2 4.48Å
599	N	70.9	Confident	65.1	Low	108 Å²	108	86.7 Å²	86.7	58%	0.578	42%	0.419	S	S	*	.	H	α-helix	trans	-72.4	-37.1	169.8	-79.8	-56.3	0	0	0	112.3	N595 Y596 T602 K603	N595-N599 WeakPolarHBondContact O-CB 3.42Å; N595-N599 PolarHBondContact O-N 3.25Å; N595-N599 PolarHBondContact O-ND2 3.19Å; Y596-N599 PolarHBondContact O-N 2.8Å; N599-T602 WeakPolarHBondContact CA-OG1 3.39Å; N599-T602 PolarHBondContact O-OG1 3.38Å; N599-K603 WeakPolarHBondContact O-CB 3.43Å; N599-K603 PolarHBondContact O-N 3.43Å
600	L	64	Low	66.2	Low	20 Å²	20	86.1 Å²	86.1	11%	0.105	42%	0.422	C	S	.	.	H	α-helix	trans	-65.2	-45.9	171.7	-80.3	170.6	0	0	0	111.3	Y596 L597 T602 K603 Y604 L611	Y596-L600 HydrophobicContact CD1-CD1 4.04Å; Y596-L600 HydrophobicContact CE1-CD1 3.54Å; Y596-L600 HydrophobicContact CE1-CG 4.48Å; Y596-L600 HydrophobicContact CE2-CD1 4.24Å; Y596-L600 HydrophobicContact CE2-CG 4.38Å; Y596-L600 PolarHBondContact O-N 3.01Å; L597-L600 PolarHBondContact O-N 2.65Å; L600-T602 PolarHBondContact O-N 2.8Å; L600-K603 PolarHBondContact O-N 3.22Å; L600-Y604 HydrophobicContact CD2-CD2 4.14Å; L600-Y604 HydrophobicContact CD2-CE2 3.81Å; L600-Y604 WeakPolarHBondContact O-CD2 3.32Å; L600-Y604 PolarHBondContact O-N 2.8Å; L600-L611 HydrophobicContact CB-CD1 3.68Å; L600-L611 HydrophobicContact CB-CD2 4.28Å; L600-L611 HydrophobicContact CD1-CD2 4.31Å
601	A	69.5	Low	66.7	Low	8 Å²	8	83.6 Å²	83.6	7%	0.066	41%	0.409	C	S	.	.	H	α-helix	trans	-55	-51.8	176.1	0	0	0	0	0	111.8	L597 K603 Y604 Q605 V606 V608 L611	L597-A601 WeakPolarHBondContact O-CB 3.46Å; L597-A601 PolarHBondContact O-N 2.84Å; A601-K603 PolarHBondContact O-N 3.12Å; A601-Y604 PolarHBondContact O-N 2.75Å; A601-Q605 WeakPolarHBondContact O-CA 3.19Å; A601-Q605 PolarHBondContact O-N 3.48Å; A601-V606 CarbonylContact C-O 3.49Å; A601-V606 WeakPolarHBondContact CA-O 3.31Å; A601-V606 WeakPolarHBondContact CB-O 3.24Å; A601-V606 PolarHBondContact O-N 3.02Å; A601-V606 VanDerWaalsContact O-N 3.16Å; A601-V606 VanDerWaalsContact O-O 3.12Å; A601-V608 HydrophobicContact CB-CG2 3.73Å; A601-L611 HydrophobicContact CB-CD1 4.43Å
602	T	72.1	Confident	66.7	Low	103 Å²	103	83.3 Å²	83.3	63%	0.632	41%	0.405	S	S	*	.	H	α-helix	trans	-67.5	-31.3	177	45.8	0	0	0	0	113.6	Q598 N599 L600	Q598-T602 PolarHBondContact O-N 3.35Å; Q598-T602 PolarHBondContact O-OG1 2.97Å; N599-T602 WeakPolarHBondContact CA-OG1 3.39Å; N599-T602 PolarHBondContact O-OG1 3.38Å; L600-T602 PolarHBondContact O-N 2.8Å
603	K	66.7	Low	66.9	Low	108 Å²	108	83.7 Å²	83.7	47%	0.47	40%	0.404	S	S	.	.	H	α-helix	trans	-70	-38	175	177.7	-179.5	177.2	-177.1	0	113.3	Y480 N599 L600 A601	Y480-K603 PolarHBondContact OH-NZ 2.91Å; N599-K603 WeakPolarHBondContact O-CB 3.43Å; N599-K603 PolarHBondContact O-N 3.43Å; L600-K603 PolarHBondContact O-N 3.22Å; A601-K603 PolarHBondContact O-N 3.12Å
604	Y	53.5	Low	67.5	Low	124 Å²	124	89 Å²	89	49%	0.486	42%	0.421	S	S	.	.	H	α-helix	trans	-97.4	-5.4	-177.4	-74.9	-77.4	0	0	0	114.3	Y480 L600 A601 V606	Y480-Y604 WeakPolarHBondContact CE2-OH 3.43Å; L600-Y604 HydrophobicContact CD2-CD2 4.14Å; L600-Y604 HydrophobicContact CD2-CE2 3.81Å; L600-Y604 WeakPolarHBondContact O-CD2 3.32Å; L600-Y604 PolarHBondContact O-N 2.8Å; A601-Y604 PolarHBondContact O-N 2.75Å; Y604-V606 VanDerWaalsContact C-N 3.26Å; Y604-V606 PolarHBondContact O-N 3.32Å
605	Q	58.7	Low	67.2	Low	187 Å²	187	86.6 Å²	86.6	87%	0.874	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	33.5	-175.4	-53.6	-175.8	0.1	0	0	113.4	A601	A601-Q605 WeakPolarHBondContact O-CA 3.19Å; A601-Q605 PolarHBondContact O-N 3.48Å
606	V	59.7	Low	66.9	Low	55 Å²	55	88.6 Å²	88.6	33%	0.333	42%	0.421	S	S	.	.			trans	-119.5	145.9	-178.1	172.2	0	0	0	0	107.5	A601 Y604 E610 L611	A601-V606 CarbonylContact C-O 3.49Å; A601-V606 WeakPolarHBondContact CA-O 3.31Å; A601-V606 WeakPolarHBondContact CB-O 3.24Å; A601-V606 PolarHBondContact O-N 3.02Å; A601-V606 VanDerWaalsContact O-N 3.16Å; A601-V606 VanDerWaalsContact O-O 3.12Å; Y604-V606 VanDerWaalsContact C-N 3.26Å; Y604-V606 PolarHBondContact O-N 3.32Å; V606-E610 HydrophobicContact CG1-CB 3.37Å; V606-E610 HydrophobicContact CG1-CG 4.41Å; V606-L611 HydrophobicContact CG1-CB 4.36Å
607	S	73.2	Confident	67.4	Low	47 Å²	47	90.2 Å²	90.2	33%	0.329	43%	0.43	S	S	.	.			trans	-68.5	157.8	178	66.2	0	0	0	0	112.1	E609 E610 L611	S607-E609 PolarHBondContact O-N 3.48Å; S607-E610 VanDerWaalsContact CB-OE2 3.23Å; S607-E610 WeakPolarHBondContact CB-OE2 3.32Å; S607-E610 PolarHBondContact N-OE2 2.82Å; S607-E610 PolarHBondContact O-N 2.79Å; S607-E610 WeakPolarHBondContact OG-CB 3.47Å; S607-E610 VanDerWaalsContact OG-CD 3.27Å; S607-E610 WeakPolarHBondContact OG-CG 3.33Å; S607-E610 PolarHBondContact OG-N 3.27Å; S607-E610 VanDerWaalsContact OG-N 3.14Å; S607-E610 PolarHBondContact OG-OE2 3.4Å; S607-L611 WeakPolarHBondContact O-CB 3.36Å; S607-L611 PolarHBondContact O-N 2.78Å
608	V	66.4	Low	66.9	Low	42 Å²	42	91.8 Å²	91.8	26%	0.255	44%	0.437	S	S	.	.	H	α-helix	trans	-58.7	-38.6	175.5	174.5	0	0	0	0	110.7	L597 Q598 A601 L611 E612	L597-V608 HydrophobicContact CB-CG1 4.21Å; Q598-V608 HydrophobicContact CB-CG2 4.29Å; Q598-V608 HydrophobicContact CG-CG2 4.48Å; A601-V608 HydrophobicContact CB-CG2 3.73Å; V608-L611 PolarHBondContact O-N 2.86Å; V608-E612 HydrophobicContact CG1-CG 4.43Å; V608-E612 WeakPolarHBondContact O-CB 3.35Å; V608-E612 WeakPolarHBondContact O-CG 3.13Å; V608-E612 PolarHBondContact O-N 2.73Å
609	E	70.1	Confident	65.9	Low	160 Å²	160	91.5 Å²	91.5	75%	0.748	44%	0.438	S	S	*	.	H	α-helix	trans	-64.2	-45.9	177.5	-63.7	175.7	-179.3	0	0	112	S607 L611 K613	S607-E609 PolarHBondContact O-N 3.48Å; E609-L611 VanDerWaalsContact C-N 3.29Å; E609-L611 PolarHBondContact O-N 3.5Å; E609-K613 WeakPolarHBondContact O-CB 3.39Å; E609-K613 PolarHBondContact O-N 2.76Å
610	E	71.3	Confident	65.6	Low	110 Å²	110	91.7 Å²	91.7	51%	0.514	44%	0.436	S	S	.	.	H	α-helix	trans	-64.4	-31.9	174.8	-74.2	163.5	127.4	0	0	112.7	V606 S607 K613 W614	V606-E610 HydrophobicContact CG1-CB 3.37Å; V606-E610 HydrophobicContact CG1-CG 4.41Å; S607-E610 VanDerWaalsContact CB-OE2 3.23Å; S607-E610 WeakPolarHBondContact CB-OE2 3.32Å; S607-E610 PolarHBondContact N-OE2 2.82Å; S607-E610 PolarHBondContact O-N 2.79Å; S607-E610 WeakPolarHBondContact OG-CB 3.47Å; S607-E610 VanDerWaalsContact OG-CD 3.27Å; S607-E610 WeakPolarHBondContact OG-CG 3.33Å; S607-E610 PolarHBondContact OG-N 3.27Å; S607-E610 VanDerWaalsContact OG-N 3.14Å; S607-E610 PolarHBondContact OG-OE2 3.4Å; E610-K613 PolarHBondContact O-N 2.84Å; E610-W614 WeakPolarHBondContact O-CB 3.18Å; E610-W614 PolarHBondContact O-N 3.14Å
611	L	69.6	Low	66.1	Low	17 Å²	17	98.5 Å²	98.5	9%	0.089	46%	0.46	C	S	.	.	H	α-helix	trans	-79.5	-41.6	-178.9	-139.7	157.3	0	0	0	111.8	L597 L600 A601 V606 S607 V608 E609 K613 W614 Q615	L597-L611 HydrophobicContact CD2-CD2 4.37Å; L600-L611 HydrophobicContact CB-CD1 3.68Å; L600-L611 HydrophobicContact CB-CD2 4.28Å; L600-L611 HydrophobicContact CD1-CD2 4.31Å; A601-L611 HydrophobicContact CB-CD1 4.43Å; V606-L611 HydrophobicContact CG1-CB 4.36Å; S607-L611 WeakPolarHBondContact O-CB 3.36Å; S607-L611 PolarHBondContact O-N 2.78Å; V608-L611 PolarHBondContact O-N 2.86Å; E609-L611 VanDerWaalsContact C-N 3.29Å; E609-L611 PolarHBondContact O-N 3.5Å; L611-K613 PolarHBondContact O-N 2.83Å; L611-W614 PolarHBondContact O-N 3.21Å; L611-Q615 WeakPolarHBondContact O-CB 3.36Å; L611-Q615 PolarHBondContact O-N 3.11Å
612	E	66.9	Low	65.1	Low	68 Å²	68	101.8 Å²	101.8	32%	0.318	48%	0.476	S	S	.	.	H	α-helix	trans	-59.1	-38.3	166.4	-76.2	-175.5	-157.4	0	0	111.5	L597 V608 K616	L597-E612 HydrophobicContact CD1-CG 3.9Å; L597-E612 HydrophobicContact CD2-CG 4.43Å; V608-E612 HydrophobicContact CG1-CG 4.43Å; V608-E612 WeakPolarHBondContact O-CB 3.35Å; V608-E612 WeakPolarHBondContact O-CG 3.13Å; V608-E612 PolarHBondContact O-N 2.73Å; E612-K616 WeakPolarHBondContact O-CG 3.17Å; E612-K616 PolarHBondContact O-N 3.4Å
613	K	73.2	Confident	64.5	Low	128 Å²	128	103 Å²	103	56%	0.557	48%	0.475	S	S	*	.	H	α-helix	trans	-69	-47	178.2	-166.5	-175.9	-175.4	-159.7	0	111.8	E609 E610 L611 Q615 K616 E617	E609-K613 WeakPolarHBondContact O-CB 3.39Å; E609-K613 PolarHBondContact O-N 2.76Å; E610-K613 PolarHBondContact O-N 2.84Å; L611-K613 PolarHBondContact O-N 2.83Å; K613-Q615 VanDerWaalsContact C-N 3.3Å; K613-Q615 PolarHBondContact O-N 2.87Å; K613-K616 PolarHBondContact O-N 3.38Å; K613-E617 WeakPolarHBondContact CE-OE1 3.44Å; K613-E617 HydrophobicContact CG-CG 4.46Å; K613-E617 WeakPolarHBondContact CG-OE1 3.41Å; K613-E617 IonicContact NZ-OE1 3.85Å; K613-E617 WeakPolarHBondContact O-CB 3.46Å; K613-E617 WeakPolarHBondContact O-CG 3.24Å; K613-E617 PolarHBondContact O-N 3.45Å
614	W	73.3	Confident	64.5	Low	150 Å²	150	100.9 Å²	100.9	57%	0.568	47%	0.471	S	S	*	.	H	α-helix	trans	-59.6	-40.8	174.2	178.5	76.3	0	0	0	112	E610 L611 K616 E617 E618	E610-W614 WeakPolarHBondContact O-CB 3.18Å; E610-W614 PolarHBondContact O-N 3.14Å; L611-W614 PolarHBondContact O-N 3.21Å; W614-K616 VanDerWaalsContact C-N 3.32Å; W614-K616 PolarHBondContact O-N 3.08Å; W614-E617 PolarHBondContact O-N 3.43Å; W614-E618 HydrophobicContact CZ2-CB 4.36Å; W614-E618 HydrophobicContact CZ2-CG 4.31Å; W614-E618 PolarHBondContact O-N 2.97Å
615	Q	61.4	Low	65.1	Low	100 Å²	100	102.8 Å²	102.8	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-66.6	-32.8	178.3	-167.6	174	8.3	0	0	112.3	L611 K613 L619	L611-Q615 WeakPolarHBondContact O-CB 3.36Å; L611-Q615 PolarHBondContact O-N 3.11Å; K613-Q615 VanDerWaalsContact C-N 3.3Å; K613-Q615 PolarHBondContact O-N 2.87Å; Q615-L619 WeakPolarHBondContact O-CB 3.48Å; Q615-L619 PolarHBondContact O-N 2.99Å
616	K	66.8	Low	64.6	Low	132 Å²	132	95.4 Å²	95.4	57%	0.574	45%	0.451	S	S	*	.	H	α-helix	trans	-69.9	-50.8	169.6	-73.6	165.8	-177.4	163.2	0	111.7	E612 K613 W614 E618 L619 E620	E612-K616 WeakPolarHBondContact O-CG 3.17Å; E612-K616 PolarHBondContact O-N 3.4Å; K613-K616 PolarHBondContact O-N 3.38Å; W614-K616 VanDerWaalsContact C-N 3.32Å; W614-K616 PolarHBondContact O-N 3.08Å; K616-E618 VanDerWaalsContact C-N 3.31Å; K616-E618 PolarHBondContact O-N 3.12Å; K616-L619 PolarHBondContact O-N 2.82Å; K616-E620 VanDerWaalsContact O-CB 3.32Å; K616-E620 WeakPolarHBondContact O-CB 3.47Å; K616-E620 PolarHBondContact O-N 2.8Å
617	E	73.1	Confident	64.6	Low	94 Å²	94	95.9 Å²	95.9	44%	0.439	45%	0.45	S	S	.	.	H	α-helix	trans	-56.5	-41.5	-180	-74.3	174.5	-169.7	0	0	112	K613 W614 R621	K613-E617 WeakPolarHBondContact CE-OE1 3.44Å; K613-E617 HydrophobicContact CG-CG 4.46Å; K613-E617 WeakPolarHBondContact CG-OE1 3.41Å; K613-E617 IonicContact NZ-OE1 3.85Å; K613-E617 WeakPolarHBondContact O-CB 3.46Å; K613-E617 WeakPolarHBondContact O-CG 3.24Å; K613-E617 PolarHBondContact O-N 3.45Å; W614-E617 PolarHBondContact O-N 3.43Å; E617-R621 WeakPolarHBondContact O-CB 3.26Å; E617-R621 PolarHBondContact O-N 3.1Å
618	E	53.7	Low	64.4	Low	55 Å²	55	98.7 Å²	98.7	26%	0.257	46%	0.458	S	S	.	.	H	α-helix	trans	-79.1	-30.1	179.2	-162.3	66.8	-158.9	0	0	112.9	W614 K616 R621 L622	W614-E618 HydrophobicContact CZ2-CB 4.36Å; W614-E618 HydrophobicContact CZ2-CG 4.31Å; W614-E618 PolarHBondContact O-N 2.97Å; K616-E618 VanDerWaalsContact C-N 3.31Å; K616-E618 PolarHBondContact O-N 3.12Å; E618-R621 IonicContact OE1-NH1 3.92Å; E618-R621 VanDerWaalsContact OE2-CD 3.24Å; E618-R621 WeakPolarHBondContact OE2-CD 3.35Å; E618-R621 IonicContact OE2-CZ 3.67Å; E618-R621 IonicContact OE2-NE 3.91Å; E618-R621 IonicContact OE2-NH1 2.72Å; E618-R621 PolarHBondContact OE2-NH1 3.16Å; E618-L622 WeakPolarHBondContact O-CB 3.34Å; E618-L622 VanDerWaalsContact O-CG 3.29Å; E618-L622 WeakPolarHBondContact O-CG 3.44Å; E618-L622 PolarHBondContact O-N 2.91Å
619	L	51.1	Low	64	Low	105 Å²	105	101.8 Å²	101.8	55%	0.55	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-48.6	169.2	-102.3	165.7	0	0	0	111.3	Q615 K616 R621 L622 Q623	Q615-L619 WeakPolarHBondContact O-CB 3.48Å; Q615-L619 PolarHBondContact O-N 2.99Å; K616-L619 PolarHBondContact O-N 2.82Å; L619-R621 VanDerWaalsContact C-N 3.34Å; L619-R621 PolarHBondContact O-N 2.77Å; L619-L622 PolarHBondContact O-N 3.2Å; L619-Q623 WeakPolarHBondContact O-CB 3.21Å; L619-Q623 PolarHBondContact O-N 3.47Å
620	E	64.6	Low	63	Low	113 Å²	113	97.8 Å²	97.8	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-62.6	-41.7	178.2	-170.6	165	-132.5	0	0	110.8	K616 Q623 V624	K616-E620 VanDerWaalsContact O-CB 3.32Å; K616-E620 WeakPolarHBondContact O-CB 3.47Å; K616-E620 PolarHBondContact O-N 2.8Å; E620-Q623 PolarHBondContact O-N 3.32Å; E620-V624 WeakPolarHBondContact O-CB 3.3Å; E620-V624 VanDerWaalsContact O-CG2 3.29Å; E620-V624 WeakPolarHBondContact O-CG2 3.4Å; E620-V624 PolarHBondContact O-N 3.26Å
621	R	74.6	Confident	62.7	Low	162 Å²	162	96.6 Å²	96.6	61%	0.611	45%	0.447	S	S	*	.	H	α-helix	trans	-62.4	-41	172.7	-175.3	-171.1	-118.9	164.3	4	113.3	E617 E618 L619 R625	E617-R621 WeakPolarHBondContact O-CB 3.26Å; E617-R621 PolarHBondContact O-N 3.1Å; E618-R621 IonicContact OE1-NH1 3.92Å; E618-R621 VanDerWaalsContact OE2-CD 3.24Å; E618-R621 WeakPolarHBondContact OE2-CD 3.35Å; E618-R621 IonicContact OE2-CZ 3.67Å; E618-R621 IonicContact OE2-NE 3.91Å; E618-R621 IonicContact OE2-NH1 2.72Å; E618-R621 PolarHBondContact OE2-NH1 3.16Å; L619-R621 VanDerWaalsContact C-N 3.34Å; L619-R621 PolarHBondContact O-N 2.77Å; R621-R625 VanDerWaalsContact O-CB 3.26Å; R621-R625 WeakPolarHBondContact O-CB 3.29Å; R621-R625 PolarHBondContact O-N 3.26Å
622	L	48.1	Very low	62.6	Low	78 Å²	78	101.7 Å²	101.7	41%	0.408	47%	0.471	S	S	.	.	H	α-helix	trans	-69.3	-38.6	176.1	-76.8	169.3	0	0	0	111.6	E618 L619 R625 G626	E618-L622 WeakPolarHBondContact O-CB 3.34Å; E618-L622 VanDerWaalsContact O-CG 3.29Å; E618-L622 WeakPolarHBondContact O-CG 3.44Å; E618-L622 PolarHBondContact O-N 2.91Å; L619-L622 PolarHBondContact O-N 3.2Å; L622-R625 PolarHBondContact O-N 2.73Å; L622-G626 PolarHBondContact O-N 2.81Å
623	Q	59.1	Low	62.2	Low	128 Å²	128	104.5 Å²	104.5	60%	0.598	48%	0.483	S	S	*	.	H	α-helix	trans	-62.8	-52	173.8	-179.6	174.2	-25.6	0	0	111	L619 E620 R625 G626 Q627	L619-Q623 WeakPolarHBondContact O-CB 3.21Å; L619-Q623 PolarHBondContact O-N 3.47Å; E620-Q623 PolarHBondContact O-N 3.32Å; Q623-R625 VanDerWaalsContact C-N 3.28Å; Q623-R625 PolarHBondContact O-N 2.87Å; Q623-G626 PolarHBondContact O-N 3.47Å; Q623-G626 VanDerWaalsContact O-N 3.14Å; Q623-Q627 WeakPolarHBondContact O-CG 3.41Å; Q623-Q627 PolarHBondContact O-N 3.45Å
624	V	65.5	Low	61.4	Low	64 Å²	64	100.1 Å²	100.1	39%	0.388	47%	0.466	S	S	.	.	H	α-helix	trans	-57.6	-40.6	176	168.2	0	0	0	0	111.4	E620 Q627 Q628	E620-V624 WeakPolarHBondContact O-CB 3.3Å; E620-V624 VanDerWaalsContact O-CG2 3.29Å; E620-V624 WeakPolarHBondContact O-CG2 3.4Å; E620-V624 PolarHBondContact O-N 3.26Å; V624-Q627 PolarHBondContact O-N 3.46Å; V624-Q628 HydrophobicContact CG1-CG 4.46Å; V624-Q628 WeakPolarHBondContact O-CB 3.46Å; V624-Q628 VanDerWaalsContact O-CG 3.29Å; V624-Q628 WeakPolarHBondContact O-CG 3.18Å; V624-Q628 PolarHBondContact O-N 3.2Å
625	R	66.5	Low	61.3	Low	164 Å²	164	97.7 Å²	97.7	62%	0.619	46%	0.459	S	S	*	.	H	α-helix	trans	-68.3	-38.2	177.4	-167.8	175.7	-171.1	173.5	2.9	112.7	R621 L622 Q623 Q628 Q629	R621-R625 VanDerWaalsContact O-CB 3.26Å; R621-R625 WeakPolarHBondContact O-CB 3.29Å; R621-R625 PolarHBondContact O-N 3.26Å; L622-R625 PolarHBondContact O-N 2.73Å; Q623-R625 VanDerWaalsContact C-N 3.28Å; Q623-R625 PolarHBondContact O-N 2.87Å; R625-Q628 PolarHBondContact O-N 2.92Å; R625-Q629 WeakPolarHBondContact O-CG 3.36Å; R625-Q629 PolarHBondContact O-N 3.44Å
626	G	48.4	Very low	61.5	Low	32 Å²	32	98 Å²	98	33%	0.33	46%	0.464	S	S	.	.	H	α-helix	trans	-65.8	-40.3	173.5	0	0	0	0	0	112.6	L622 Q623 Q629 L630	L622-G626 PolarHBondContact O-N 2.81Å; Q623-G626 PolarHBondContact O-N 3.47Å; Q623-G626 VanDerWaalsContact O-N 3.14Å; G626-Q629 PolarHBondContact O-N 2.96Å; G626-L630 PolarHBondContact O-N 3.3Å; G626-L630 VanDerWaalsContact O-N 3.1Å
627	Q	59.8	Low	61.5	Low	64 Å²	64	92.3 Å²	92.3	30%	0.299	44%	0.439	S	S	.	.	H	α-helix	trans	-64.9	-42.8	172.7	-70.1	-174.6	-93.2	0	0	111.7	Q623 V624 Q629 L630 E631 E1487	Q623-Q627 WeakPolarHBondContact O-CG 3.41Å; Q623-Q627 PolarHBondContact O-N 3.45Å; V624-Q627 PolarHBondContact O-N 3.46Å; Q627-Q629 PolarHBondContact O-N 2.78Å; Q627-L630 PolarHBondContact O-N 3.36Å; Q627-E631 WeakPolarHBondContact O-CB 3.26Å; Q627-E631 PolarHBondContact O-N 3.4Å; Q627-E1487 PolarHBondContact NE2-OE1 3.1Å
628	Q	68.2	Low	61.3	Low	107 Å²	107	90.6 Å²	90.6	50%	0.5	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-41.9	175.8	-78.6	174.1	-7.4	0	0	112.6	V624 R625 E631 E632	V624-Q628 HydrophobicContact CG1-CG 4.46Å; V624-Q628 WeakPolarHBondContact O-CB 3.46Å; V624-Q628 VanDerWaalsContact O-CG 3.29Å; V624-Q628 WeakPolarHBondContact O-CG 3.18Å; V624-Q628 PolarHBondContact O-N 3.2Å; R625-Q628 PolarHBondContact O-N 2.92Å; Q628-E631 PolarHBondContact O-N 3.43Å; Q628-E632 WeakPolarHBondContact O-CG 3.45Å; Q628-E632 PolarHBondContact O-N 2.7Å
629	Q	59.7	Low	62.1	Low	106 Å²	106	93.1 Å²	93.1	50%	0.495	45%	0.445	S	S	.	.	H	α-helix	trans	-68.6	-34.8	176.2	-69.8	-170.9	-62	0	0	112.9	R625 G626 Q627 H633	R625-Q629 WeakPolarHBondContact O-CG 3.36Å; R625-Q629 PolarHBondContact O-N 3.44Å; G626-Q629 PolarHBondContact O-N 2.96Å; Q627-Q629 PolarHBondContact O-N 2.78Å; Q629-H633 PolarHBondContact O-CD2 3.04Å; Q629-H633 VanDerWaalsContact O-CD2 3.23Å; Q629-H633 PolarHBondContact O-N 3.23Å; Q629-H633 VanDerWaalsContact O-N 3.09Å
630	L	48.2	Very low	62.8	Low	76 Å²	76	91.2 Å²	91.2	40%	0.398	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-45.3	170.2	-84.7	162.9	0	0	0	111.2	G626 Q627 E632 H633 I634	G626-L630 PolarHBondContact O-N 3.3Å; G626-L630 VanDerWaalsContact O-N 3.1Å; Q627-L630 PolarHBondContact O-N 3.36Å; L630-E632 PolarHBondContact O-N 3.21Å; L630-H633 PolarHBondContact O-N 2.92Å; L630-I634 WeakPolarHBondContact O-CB 3.43Å; L630-I634 WeakPolarHBondContact O-CD1 3.32Å; L630-I634 WeakPolarHBondContact O-CG1 3.46Å; L630-I634 PolarHBondContact O-N 2.9Å
631	E	64.2	Low	62.5	Low	85 Å²	85	87.1 Å²	87.1	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-40.8	176	-83	-169.1	-142.7	0	0	113.1	Q627 Q628 I634 K635	Q627-E631 WeakPolarHBondContact O-CB 3.26Å; Q627-E631 PolarHBondContact O-N 3.4Å; Q628-E631 PolarHBondContact O-N 3.43Å; E631-I634 PolarHBondContact O-N 3.02Å; E631-K635 WeakPolarHBondContact O-CB 3.21Å; E631-K635 VanDerWaalsContact O-CD 3.29Å; E631-K635 WeakPolarHBondContact O-CD 3.4Å; E631-K635 WeakPolarHBondContact O-CG 3.38Å; E631-K635 PolarHBondContact O-N 2.88Å; E631-K635 IonicContact OE2-NZ 2.6Å; E631-K635 PolarHBondContact OE2-NZ 3.35Å
632	E	68.2	Low	62.1	Low	124 Å²	124	80.4 Å²	80.4	58%	0.579	40%	0.401	S	S	*	.	H	α-helix	trans	-63.3	-48.4	175.3	-76.5	178.3	161.5	0	0	110.6	Q628 L630 I634 K635 D636	Q628-E632 WeakPolarHBondContact O-CG 3.45Å; Q628-E632 PolarHBondContact O-N 2.7Å; L630-E632 PolarHBondContact O-N 3.21Å; E632-I634 VanDerWaalsContact C-N 3.33Å; E632-I634 PolarHBondContact O-N 3.29Å; E632-K635 PolarHBondContact O-N 3.46Å; E632-D636 PolarHBondContact O-N 3.18Å
633	H	58.7	Low	63.1	Low	127 Å²	127	79.1 Å²	79.1	59%	0.588	40%	0.399	S	S	*	.	H	α-helix	trans	-62	-36.6	175.4	-81.4	-55.3	0	0	0	113.5	Q629 L630 W637	Q629-H633 PolarHBondContact O-CD2 3.04Å; Q629-H633 VanDerWaalsContact O-CD2 3.23Å; Q629-H633 PolarHBondContact O-N 3.23Å; Q629-H633 VanDerWaalsContact O-N 3.09Å; L630-H633 PolarHBondContact O-N 2.92Å; H633-W637 VanDerWaalsContact O-CB 3.22Å; H633-W637 WeakPolarHBondContact O-CB 3.46Å; H633-W637 PolarHBondContact O-N 2.95Å
634	I	56.6	Low	63.1	Low	37 Å²	37	77 Å²	77	19%	0.19	39%	0.391	C	S	.	.	H	α-helix	trans	-68.7	-39.6	175	-70.3	163.3	0	0	0	110.7	L630 E631 E632 W637 Q638 V679	L630-I634 WeakPolarHBondContact O-CB 3.43Å; L630-I634 WeakPolarHBondContact O-CD1 3.32Å; L630-I634 WeakPolarHBondContact O-CG1 3.46Å; L630-I634 PolarHBondContact O-N 2.9Å; E631-I634 PolarHBondContact O-N 3.02Å; E632-I634 VanDerWaalsContact C-N 3.33Å; E632-I634 PolarHBondContact O-N 3.29Å; I634-W637 HydrophobicContact CG2-CE3 4.3Å; I634-W637 PolarHBondContact O-N 2.95Å; I634-Q638 HydrophobicContact CG2-CG 4.4Å; I634-Q638 WeakPolarHBondContact O-CB 3.16Å; I634-Q638 VanDerWaalsContact O-CG 3.25Å; I634-Q638 WeakPolarHBondContact O-CG 3.31Å; I634-Q638 PolarHBondContact O-N 3.34Å; I634-V679 HydrophobicContact CD1-CG2 3.56Å; I634-V679 HydrophobicContact CG1-CG2 3.79Å
635	K	70.6	Confident	62.8	Low	98 Å²	98	74.5 Å²	74.5	43%	0.426	38%	0.376	S	S	.	.	H	α-helix	trans	-68.3	-45.3	177.8	-73.6	159.8	-166.5	162.4	0	111.9	E631 E632 W637 Q638 I639	E631-K635 WeakPolarHBondContact O-CB 3.21Å; E631-K635 VanDerWaalsContact O-CD 3.29Å; E631-K635 WeakPolarHBondContact O-CD 3.4Å; E631-K635 WeakPolarHBondContact O-CG 3.38Å; E631-K635 PolarHBondContact O-N 2.88Å; E631-K635 IonicContact OE2-NZ 2.6Å; E631-K635 PolarHBondContact OE2-NZ 3.35Å; E632-K635 PolarHBondContact O-N 3.46Å; K635-W637 VanDerWaalsContact C-N 3.29Å; K635-W637 PolarHBondContact O-N 3.39Å; K635-Q638 PolarHBondContact O-N 2.85Å; K635-I639 VanDerWaalsContact O-CG1 3.26Å; K635-I639 WeakPolarHBondContact O-CG1 3.36Å; K635-I639 PolarHBondContact O-N 3.46Å
636	D	66.7	Low	62.6	Low	108 Å²	108	72.1 Å²	72.1	58%	0.578	37%	0.367	S	S	*	.	H	α-helix	trans	-60.7	-40.2	174.6	-80.5	-8.3	0	0	0	111.4	E632 I639 S640	E632-D636 PolarHBondContact O-N 3.18Å; D636-I639 PolarHBondContact O-N 2.86Å; D636-S640 WeakPolarHBondContact O-CB 3.43Å; D636-S640 PolarHBondContact O-N 2.84Å
637	W	65.5	Low	63.3	Low	11 Å²	11	74.7 Å²	74.7	4%	0.042	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-48.5	173	167.2	68.6	0	0	0	112.4	H633 I634 K635 I639 S640 V641 M673 Y677 I684 W687	H633-W637 VanDerWaalsContact O-CB 3.22Å; H633-W637 WeakPolarHBondContact O-CB 3.46Å; H633-W637 PolarHBondContact O-N 2.95Å; I634-W637 HydrophobicContact CG2-CE3 4.3Å; I634-W637 PolarHBondContact O-N 2.95Å; K635-W637 VanDerWaalsContact C-N 3.29Å; K635-W637 PolarHBondContact O-N 3.39Å; W637-I639 VanDerWaalsContact C-N 3.28Å; W637-I639 PolarHBondContact O-N 2.92Å; W637-S640 PolarHBondContact O-N 3.25Å; W637-V641 WeakPolarHBondContact O-CG2 3.29Å; W637-V641 PolarHBondContact O-N 2.9Å; W637-M673 HydrophobicContact CZ2-CE 3.63Å; W637-Y677 HydrophobicContact CB-CD1 4.12Å; W637-Y677 HydrophobicContact CB-CE1 3.73Å; W637-Y677 AromaticContact CD1-CD2 3.98Å; W637-Y677 AromaticContact CD1-CE1 3.82Å; W637-Y677 AromaticContact CD1-CE2 3.31Å; W637-Y677 AromaticContact CD1-CZ 3.21Å; W637-Y677 HydrophobicContact CD2-CD2 4.18Å; W637-Y677 HydrophobicContact CD2-CE2 4.27Å; W637-Y677 HydrophobicContact CD2-CG 4.34Å; W637-Y677 HydrophobicContact CG-CD1 4.07Å; W637-Y677 HydrophobicContact CG-CD2 4.15Å; W637-Y677 AromaticContact CG-CE1 3.76Å; W637-Y677 HydrophobicContact CG-CE1 3.76Å; W637-Y677 AromaticContact CG-CE2 3.86Å; W637-Y677 HydrophobicContact CG-CE2 3.86Å; W637-Y677 HydrophobicContact CG-CG 4.27Å; W637-Y677 AromaticContact CG-CZ 3.65Å; W637-Y677 AromaticContact NE1-CD2 3.88Å; W637-Y677 AromaticContact NE1-CE2 3.41Å; W637-Y677 AromaticContact NE1-CZ 3.84Å; W637-I684 HydrophobicContact CH2-CB 4.39Å; W637-I684 HydrophobicContact CH2-CD1 4.17Å; W637-I684 HydrophobicContact CH2-CG1 3.85Å; W637-I684 HydrophobicContact CH2-CG2 4.06Å; W637-I684 HydrophobicContact CZ2-CD1 4.37Å; W637-I684 HydrophobicContact CZ2-CG1 4.48Å; W637-I684 HydrophobicContact CZ2-CG2 4.27Å; W637-W687 AromaticContact CH2-CE3 3.98Å; W637-W687 HydrophobicContact CH2-CE3 3.98Å; W637-W687 HydrophobicContact CH2-CZ3 4.37Å; W637-W687 HydrophobicContact CZ2-CZ3 4.5Å
638	Q	69.5	Low	63	Low	59 Å²	59	74.8 Å²	74.8	28%	0.276	38%	0.375	S	S	.	.	H	α-helix	trans	-60.3	-37	176.4	-74.9	175.5	-6.2	0	0	112	I634 K635 S642 W687	I634-Q638 HydrophobicContact CG2-CG 4.4Å; I634-Q638 WeakPolarHBondContact O-CB 3.16Å; I634-Q638 VanDerWaalsContact O-CG 3.25Å; I634-Q638 WeakPolarHBondContact O-CG 3.31Å; I634-Q638 PolarHBondContact O-N 3.34Å; K635-Q638 PolarHBondContact O-N 2.85Å; Q638-S642 WeakPolarHBondContact O-CB 3.26Å; Q638-S642 PolarHBondContact O-N 3.29Å; Q638-S642 PolarHBondContact O-OG 2.75Å; Q638-W687 HydrophobicContact CB-CZ2 3.78Å; Q638-W687 HydrophobicContact CG-CD2 4.06Å; Q638-W687 HydrophobicContact CG-CG 4.41Å; Q638-W687 HydrophobicContact CG-CZ2 3.95Å; Q638-W687 WeakPolarHBondContact O-CZ2 3.35Å
639	I	71.5	Confident	62.2	Low	108 Å²	108	71.4 Å²	71.4	55%	0.554	37%	0.365	S	S	*	.	H	α-helix	trans	-66.3	-49.5	174.1	-68.9	164	0	0	0	110.5	K635 D636 W637 V641 S642 S643	K635-I639 VanDerWaalsContact O-CG1 3.26Å; K635-I639 WeakPolarHBondContact O-CG1 3.36Å; K635-I639 PolarHBondContact O-N 3.46Å; D636-I639 PolarHBondContact O-N 2.86Å; W637-I639 VanDerWaalsContact C-N 3.28Å; W637-I639 PolarHBondContact O-N 2.92Å; I639-V641 VanDerWaalsContact C-N 3.33Å; I639-V641 PolarHBondContact O-N 2.97Å; I639-S642 WeakPolarHBondContact CA-OG 3.39Å; I639-S642 PolarHBondContact O-N 3.44Å; I639-S642 PolarHBondContact O-OG 2.77Å; I639-S642 VanDerWaalsContact O-OG 3.11Å; I639-S643 PolarHBondContact O-N 2.68Å; I639-S643 PolarHBondContact O-OG 3Å
640	S	63.8	Low	61.8	Low	64 Å²	64	70.7 Å²	70.7	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-66.5	-31.5	-179.8	-175.5	0	0	0	0	113.5	D636 W637 S643 N644	D636-S640 WeakPolarHBondContact O-CB 3.43Å; D636-S640 PolarHBondContact O-N 2.84Å; W637-S640 PolarHBondContact O-N 3.25Å; S640-S643 PolarHBondContact O-OG 3.02Å; S640-N644 PolarHBondContact O-N 2.96Å; S640-N644 PolarHBondContact O-ND2 2.77Å
641	V	58.6	Low	62	Low	28 Å²	28	72 Å²	72	17%	0.17	37%	0.373	C	S	.	.	H	α-helix	trans	-79.6	-42	174.8	179	0	0	0	0	110.2	W637 I639 S643 N644 L645 M673 W687	W637-V641 WeakPolarHBondContact O-CG2 3.29Å; W637-V641 PolarHBondContact O-N 2.9Å; I639-V641 VanDerWaalsContact C-N 3.33Å; I639-V641 PolarHBondContact O-N 2.97Å; V641-S643 VanDerWaalsContact C-N 3.3Å; V641-S643 PolarHBondContact O-N 3.13Å; V641-N644 CarbonylContact O-C 3.58Å; V641-N644 WeakPolarHBondContact O-CB 3.11Å; V641-N644 PolarHBondContact O-N 3.2Å; V641-N644 VanDerWaalsContact O-N 3.07Å; V641-L645 HydrophobicContact CG1-CD1 4.21Å; V641-L645 HydrophobicContact CG1-CG 4.12Å; V641-L645 VanDerWaalsContact O-CG 3.27Å; V641-L645 WeakPolarHBondContact O-CG 3.35Å; V641-L645 PolarHBondContact O-N 2.82Å; V641-M673 HydrophobicContact CG2-CE 4.22Å; V641-W687 HydrophobicContact CB-CH2 3.71Å; V641-W687 HydrophobicContact CB-CZ3 3.96Å; V641-W687 HydrophobicContact CG1-CH2 3.7Å; V641-W687 HydrophobicContact CG1-CZ3 3.61Å
642	S	66.3	Low	61.2	Low	21 Å²	21	73.6 Å²	73.6	15%	0.147	38%	0.383	C	S	.	.	H	α-helix	trans	-64.4	-30.1	176.6	58.5	0	0	0	0	113.5	Q638 I639 R646	Q638-S642 WeakPolarHBondContact O-CB 3.26Å; Q638-S642 PolarHBondContact O-N 3.29Å; Q638-S642 PolarHBondContact O-OG 2.75Å; I639-S642 WeakPolarHBondContact CA-OG 3.39Å; I639-S642 PolarHBondContact O-N 3.44Å; I639-S642 PolarHBondContact O-OG 2.77Å; I639-S642 VanDerWaalsContact O-OG 3.11Å; S642-R646 PolarHBondContact O-N 3.24Å
643	S	68.9	Low	60	Low	50 Å²	50	74.2 Å²	74.2	35%	0.35	38%	0.384	S	S	.	.	H	α-helix	trans	-65.9	-46.5	167.7	64.6	0	0	0	0	111.8	I639 S640 V641 L645 R646 D647	I639-S643 PolarHBondContact O-N 2.68Å; I639-S643 PolarHBondContact O-OG 3Å; S640-S643 PolarHBondContact O-OG 3.02Å; V641-S643 VanDerWaalsContact C-N 3.3Å; V641-S643 PolarHBondContact O-N 3.13Å; S643-L645 VanDerWaalsContact C-N 3.3Å; S643-L645 PolarHBondContact O-N 2.77Å; S643-R646 PolarHBondContact O-N 2.91Å; S643-D647 PolarHBondContact O-N 2.87Å
644	N	60.8	Low	59.3	Low	84 Å²	84	71.5 Å²	71.5	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-36.1	176	-70.7	-13.4	0	0	0	112.3	S640 V641 D647 I648	S640-N644 PolarHBondContact O-N 2.96Å; S640-N644 PolarHBondContact O-ND2 2.77Å; V641-N644 CarbonylContact O-C 3.58Å; V641-N644 WeakPolarHBondContact O-CB 3.11Å; V641-N644 PolarHBondContact O-N 3.2Å; V641-N644 VanDerWaalsContact O-N 3.07Å; N644-D647 PolarHBondContact O-N 3.05Å; N644-I648 WeakPolarHBondContact O-CB 2.95Å; N644-I648 WeakPolarHBondContact O-CD1 3.14Å; N644-I648 VanDerWaalsContact O-CG1 3.23Å; N644-I648 WeakPolarHBondContact O-CG1 3.48Å; N644-I648 PolarHBondContact O-N 3.28Å
645	L	58.5	Low	59.2	Low	12 Å²	12	72.8 Å²	72.8	6%	0.063	38%	0.384	C	S	.	.	H	α-helix	trans	-63.8	-45.2	173.9	-67.5	176.4	0	0	0	111.1	V641 S643 I648 A649 F659 W687 E691 F695	V641-L645 HydrophobicContact CG1-CD1 4.21Å; V641-L645 HydrophobicContact CG1-CG 4.12Å; V641-L645 VanDerWaalsContact O-CG 3.27Å; V641-L645 WeakPolarHBondContact O-CG 3.35Å; V641-L645 PolarHBondContact O-N 2.82Å; S643-L645 VanDerWaalsContact C-N 3.3Å; S643-L645 PolarHBondContact O-N 2.77Å; L645-I648 PolarHBondContact O-N 3.41Å; L645-A649 WeakPolarHBondContact O-CB 3.33Å; L645-A649 PolarHBondContact O-N 2.99Å; L645-F659 HydrophobicContact CD2-CE1 3.64Å; L645-F659 HydrophobicContact CD2-CE2 4.38Å; L645-F659 HydrophobicContact CD2-CZ 3.27Å; L645-W687 HydrophobicContact CD1-CH2 4.1Å; L645-W687 HydrophobicContact CD1-CZ3 4.35Å; L645-E691 HydrophobicContact CD1-CB 4.3Å; L645-E691 HydrophobicContact CD1-CG 4.45Å; L645-F695 HydrophobicContact CB-CE2 3.63Å; L645-F695 HydrophobicContact CB-CZ 3.85Å; L645-F695 HydrophobicContact CD1-CE2 4.02Å; L645-F695 HydrophobicContact CG-CE2 4.41Å
646	R	63	Low	58.1	Low	114 Å²	114	70.3 Å²	70.3	43%	0.43	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-38.6	173.9	-78.1	-175.5	170.8	145.9	0.2	112.5	S642 S643 A649 T650 F695 E698	S642-R646 PolarHBondContact O-N 3.24Å; S643-R646 PolarHBondContact O-N 2.91Å; R646-A649 PolarHBondContact O-N 3.36Å; R646-T650 WeakPolarHBondContact O-CB 3.36Å; R646-T650 VanDerWaalsContact O-CG2 3.3Å; R646-T650 WeakPolarHBondContact O-CG2 3.17Å; R646-T650 PolarHBondContact O-N 3.03Å; R646-T650 PolarHBondContact O-OG1 3.27Å; R646-F695 HydrophobicContact CG-CD1 4.42Å; R646-F695 HydrophobicContact CG-CE1 3.47Å; R646-F695 VanDerWaalsContact CG-CE1 3.47Å; R646-F695 HydrophobicContact CG-CZ 3.86Å; R646-E698 IonicContact CZ-OE1 3.75Å; R646-E698 IonicContact CZ-OE2 3.27Å; R646-E698 IonicContact NE-OE2 3.21Å; R646-E698 VanDerWaalsContact NH2-CD 3.35Å; R646-E698 IonicContact NH2-OE1 2.89Å; R646-E698 PolarHBondContact NH2-OE1 3.06Å; R646-E698 IonicContact NH2-OE2 3.79Å; R646-E698 PolarHBondContact NH2-OE2 3.22Å; R646-E698 VanDerWaalsContact NH2-OE2 3.15Å
647	D	62.3	Low	57.4	Low	85 Å²	85	70.1 Å²	70.1	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-68.8	-33.8	177	-77	-10.7	0	0	0	112.4	S643 N644 T650 Q651	S643-D647 PolarHBondContact O-N 2.87Å; N644-D647 PolarHBondContact O-N 3.05Å; D647-T650 PolarHBondContact O-OG1 3.31Å; D647-Q651 VanDerWaalsContact O-CB 3.27Å; D647-Q651 WeakPolarHBondContact O-CB 3.46Å; D647-Q651 WeakPolarHBondContact O-CG 3.42Å; D647-Q651 PolarHBondContact O-N 3.4Å; D647-Q651 PolarHBondContact O-NE2 3.47Å
648	I	53.6	Low	56.7	Low	66 Å²	66	74.2 Å²	74.2	34%	0.338	39%	0.393	S	S	.	.	H	α-helix	trans	-71.8	-44.5	173.7	-69.3	164.7	0	0	0	110.7	N644 L645 Q651 F659	N644-I648 WeakPolarHBondContact O-CB 2.95Å; N644-I648 WeakPolarHBondContact O-CD1 3.14Å; N644-I648 VanDerWaalsContact O-CG1 3.23Å; N644-I648 WeakPolarHBondContact O-CG1 3.48Å; N644-I648 PolarHBondContact O-N 3.28Å; L645-I648 PolarHBondContact O-N 3.41Å; I648-Q651 PolarHBondContact O-N 3.06Å; I648-F659 HydrophobicContact CD1-CE2 4.17Å; I648-F659 HydrophobicContact CG2-CD2 4Å; I648-F659 HydrophobicContact CG2-CE2 3.84Å
649	A	52	Low	55.7	Low	36 Å²	36	72.2 Å²	72.2	30%	0.298	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-46.7	177.9	0	0	0	0	0	111.9	L645 R646 Q651 N652	L645-A649 WeakPolarHBondContact O-CB 3.33Å; L645-A649 PolarHBondContact O-N 2.99Å; R646-A649 PolarHBondContact O-N 3.36Å; A649-Q651 VanDerWaalsContact C-N 3.26Å; A649-Q651 PolarHBondContact O-N 3.27Å; A649-N652 PolarHBondContact O-N 3.09Å; A649-N652 PolarHBondContact O-OD1 3.33Å
650	T	51.3	Low	54.8	Low	91 Å²	91	70.3 Å²	70.3	56%	0.558	37%	0.372	S	S	*	.	H	α-helix	trans	-70.5	-18.7	178.3	54.5	0	0	0	0	113.7	R646 D647	R646-T650 WeakPolarHBondContact O-CB 3.36Å; R646-T650 VanDerWaalsContact O-CG2 3.3Å; R646-T650 WeakPolarHBondContact O-CG2 3.17Å; R646-T650 PolarHBondContact O-N 3.03Å; R646-T650 PolarHBondContact O-OG1 3.27Å; D647-T650 PolarHBondContact O-OG1 3.31Å
651	Q	52.5	Low	54.5	Low	105 Å²	105	72.1 Å²	72.1	49%	0.491	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.6	174.1	-77.7	179.9	53.9	0	0	114.6	D647 I648 A649 K653	D647-Q651 VanDerWaalsContact O-CB 3.27Å; D647-Q651 WeakPolarHBondContact O-CB 3.46Å; D647-Q651 WeakPolarHBondContact O-CG 3.42Å; D647-Q651 PolarHBondContact O-N 3.4Å; D647-Q651 PolarHBondContact O-NE2 3.47Å; I648-Q651 PolarHBondContact O-N 3.06Å; A649-Q651 VanDerWaalsContact C-N 3.26Å; A649-Q651 PolarHBondContact O-N 3.27Å; Q651-K653 HydrophobicContact CB-CD 4.39Å; Q651-K653 PolarHBondContact O-N 3.36Å
652	N	45.5	Very low	54.3	Low	117 Å²	117	78.7 Å²	78.7	63%	0.626	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	32.6	174.5	-78.5	-22.1	0	0	0	115.1	A649 K752	A649-N652 PolarHBondContact O-N 3.09Å; A649-N652 PolarHBondContact O-OD1 3.33Å; N652-K752 PolarHBondContact O-NZ 3.46Å
653	K	43.2	Very low	53.7	Low	138 Å²	138	79.6 Å²	79.6	60%	0.6	40%	0.403	S	S	*	.			trans	-86.3	-38.1	-176.9	-81.8	169.9	-175.8	163	0	113.7	Q651 K752	Q651-K653 HydrophobicContact CB-CD 4.39Å; Q651-K653 PolarHBondContact O-N 3.36Å; K653-K752 PolarHBondContact O-NZ 2.92Å
654	L	45.9	Very low	53.2	Low	70 Å²	70	79 Å²	79	37%	0.366	40%	0.395	S	S	.	.	S	Bend	trans	-120	141.5	176.4	-69.3	158	0	0	0	108.7	E658 F659	L654-E658 HydrophobicContact CB-CB 4.37Å; L654-E658 HydrophobicContact CD2-CB 3.9Å; L654-F659 HydrophobicContact CB-CB 4.47Å; L654-F659 HydrophobicContact CD1-CD2 4.1Å
655	T	52.6	Low	53	Low	64 Å²	64	80.3 Å²	80.3	39%	0.393	40%	0.402	S	S	.	.			trans	-66.9	160.7	163.5	57.2	0	0	0	0	110.5	D657 E658 F659	T655-D657 PolarHBondContact O-N 3.24Å; T655-E658 WeakPolarHBondContact CB-OE2 3.24Å; T655-E658 WeakPolarHBondContact CG2-OE2 3.23Å; T655-E658 PolarHBondContact N-OE2 3.46Å; T655-E658 PolarHBondContact O-N 2.89Å; T655-E658 WeakPolarHBondContact OG1-CB 3.26Å; T655-E658 WeakPolarHBondContact OG1-CG 3.49Å; T655-E658 PolarHBondContact OG1-N 3.5Å; T655-E658 VanDerWaalsContact OG1-N 3.14Å; T655-E658 PolarHBondContact OG1-OE2 2.9Å; T655-F659 VanDerWaalsContact O-CB 3.24Å; T655-F659 WeakPolarHBondContact O-CB 3.21Å; T655-F659 PolarHBondContact O-N 3.29Å
656	I	49	Very low	52.9	Low	46 Å²	46	82.4 Å²	82.4	24%	0.236	41%	0.413	C	S	.	.	H	α-helix	trans	-62.4	-31.3	177.7	-73.2	165.6	0	0	0	111.2	F659 Q660 L701	I656-F659 PolarHBondContact O-N 3.1Å; I656-Q660 WeakPolarHBondContact O-CG 3.21Å; I656-Q660 PolarHBondContact O-N 3.34Å; I656-L701 HydrophobicContact CD1-CD1 3.76Å; I656-L701 HydrophobicContact CD1-CD2 4.33Å; I656-L701 HydrophobicContact CD1-CG 3.87Å
657	D	51.2	Low	52.9	Low	104 Å²	104	81.4 Å²	81.4	56%	0.556	41%	0.41	S	S	*	.	H	α-helix	trans	-76.5	-41.2	177.9	-55.1	-49.4	0	0	0	112.2	T655 F659 N661	T655-D657 PolarHBondContact O-N 3.24Å; D657-F659 PolarHBondContact O-N 3.48Å; D657-N661 VanDerWaalsContact O-CB 3.28Å; D657-N661 WeakPolarHBondContact O-CB 3.46Å; D657-N661 PolarHBondContact O-N 3.02Å; D657-N661 PolarHBondContact O-ND2 3.15Å
658	E	51.4	Low	52.7	Low	97 Å²	97	81.4 Å²	81.4	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-59.7	-38.5	167.7	-73.5	167	122.3	0	0	110.9	L654 T655 N661 Y662	L654-E658 HydrophobicContact CB-CB 4.37Å; L654-E658 HydrophobicContact CD2-CB 3.9Å; T655-E658 WeakPolarHBondContact CB-OE2 3.24Å; T655-E658 WeakPolarHBondContact CG2-OE2 3.23Å; T655-E658 PolarHBondContact N-OE2 3.46Å; T655-E658 PolarHBondContact O-N 2.89Å; T655-E658 WeakPolarHBondContact OG1-CB 3.26Å; T655-E658 WeakPolarHBondContact OG1-CG 3.49Å; T655-E658 PolarHBondContact OG1-N 3.5Å; T655-E658 VanDerWaalsContact OG1-N 3.14Å; T655-E658 PolarHBondContact OG1-OE2 2.9Å; E658-N661 CarbonylContact O-C 3.58Å; E658-N661 PolarHBondContact O-N 3.11Å; E658-Y662 WeakPolarHBondContact O-CB 3.47Å; E658-Y662 PolarHBondContact O-N 2.9Å
659	F	47.4	Very low	53.1	Low	16 Å²	16	82.4 Å²	82.4	7%	0.07	42%	0.419	C	S	.	.	H	α-helix	trans	-69.1	-44.4	-178.9	-169.8	-91.6	0	0	0	112.7	L645 I648 L654 T655 I656 D657 N661 Y662 I663 L692	L645-F659 HydrophobicContact CD2-CE1 3.64Å; L645-F659 HydrophobicContact CD2-CE2 4.38Å; L645-F659 HydrophobicContact CD2-CZ 3.27Å; I648-F659 HydrophobicContact CD1-CE2 4.17Å; I648-F659 HydrophobicContact CG2-CD2 4Å; I648-F659 HydrophobicContact CG2-CE2 3.84Å; L654-F659 HydrophobicContact CB-CB 4.47Å; L654-F659 HydrophobicContact CD1-CD2 4.1Å; T655-F659 VanDerWaalsContact O-CB 3.24Å; T655-F659 WeakPolarHBondContact O-CB 3.21Å; T655-F659 PolarHBondContact O-N 3.29Å; I656-F659 PolarHBondContact O-N 3.1Å; D657-F659 PolarHBondContact O-N 3.48Å; F659-N661 VanDerWaalsContact C-N 3.32Å; F659-Y662 PolarHBondContact O-N 3.05Å; F659-I663 HydrophobicContact CE1-CD1 3.9Å; F659-I663 HydrophobicContact CE1-CG1 4.36Å; F659-I663 HydrophobicContact CE2-CD1 3.72Å; F659-I663 HydrophobicContact CE2-CG1 4.3Å; F659-I663 HydrophobicContact CZ-CD1 3.27Å; F659-I663 HydrophobicContact CZ-CG1 4.06Å; F659-I663 PolarHBondContact O-N 3.18Å; F659-L692 HydrophobicContact CD1-CD2 3.95Å; F659-L692 HydrophobicContact CE1-CD2 4.23Å
660	Q	53.4	Low	53.7	Low	68 Å²	68	80.7 Å²	80.7	32%	0.318	41%	0.405	S	S	.	.	H	α-helix	trans	-57.4	-47.6	168.5	-78.1	-170.2	3.3	0	0	110.6	I656 Y662 I664 L692	I656-Q660 WeakPolarHBondContact O-CG 3.21Å; I656-Q660 PolarHBondContact O-N 3.34Å; Q660-Y662 PolarHBondContact O-N 2.91Å; Q660-I664 HydrophobicContact CB-CD1 4.11Å; Q660-I664 HydrophobicContact CG-CD1 3.98Å; Q660-I664 VanDerWaalsContact O-CB 3.28Å; Q660-I664 WeakPolarHBondContact O-CB 3.43Å; Q660-I664 PolarHBondContact O-N 2.81Å; Q660-L692 HydrophobicContact CG-CD1 3.83Å
661	N	56.9	Low	54.4	Low	102 Å²	102	78.2 Å²	78.2	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-68.8	-15.8	-179.6	-79.9	-67.9	0	0	0	114.6	D657 E658 F659 N665	D657-N661 VanDerWaalsContact O-CB 3.28Å; D657-N661 WeakPolarHBondContact O-CB 3.46Å; D657-N661 PolarHBondContact O-N 3.02Å; D657-N661 PolarHBondContact O-ND2 3.15Å; E658-N661 CarbonylContact O-C 3.58Å; E658-N661 PolarHBondContact O-N 3.11Å; F659-N661 VanDerWaalsContact C-N 3.32Å; N661-N665 VanDerWaalsContact CA-ND2 3.34Å; N661-N665 WeakPolarHBondContact CA-ND2 3.43Å; N661-N665 WeakPolarHBondContact O-CB 3.49Å; N661-N665 PolarHBondContact O-ND2 2.78Å; N661-N665 PolarHBondContact OD1-ND2 2.71Å; N661-N665 VanDerWaalsContact OD1-ND2 3.13Å
662	Y	53.7	Low	55.1	Low	166 Å²	166	79.3 Å²	79.3	65%	0.651	39%	0.392	S	S	*	.	H	α-helix	trans	-92.6	-44.5	176.1	-146.2	-83.8	0	0	0	112.3	E658 F659 Q660 D666	E658-Y662 WeakPolarHBondContact O-CB 3.47Å; E658-Y662 PolarHBondContact O-N 2.9Å; F659-Y662 PolarHBondContact O-N 3.05Å; Q660-Y662 PolarHBondContact O-N 2.91Å; Y662-D666 WeakPolarHBondContact O-CB 3.46Å; Y662-D666 PolarHBondContact O-N 3.15Å
663	I	53.8	Low	55.5	Low	41 Å²	41	75.2 Å²	75.2	21%	0.21	37%	0.37	C	S	.	.	H	α-helix	trans	-91.6	-35.4	-174.6	-60	-159.1	0	0	0	113.2	F659 L670 I688	F659-I663 HydrophobicContact CE1-CD1 3.9Å; F659-I663 HydrophobicContact CE1-CG1 4.36Å; F659-I663 HydrophobicContact CE2-CD1 3.72Å; F659-I663 HydrophobicContact CE2-CG1 4.3Å; F659-I663 HydrophobicContact CZ-CD1 3.27Å; F659-I663 HydrophobicContact CZ-CG1 4.06Å; F659-I663 PolarHBondContact O-N 3.18Å; I663-L670 HydrophobicContact CG2-CD2 4.34Å; I663-L670 WeakPolarHBondContact O-CD1 3.25Å; I663-I688 HydrophobicContact CG2-CD1 3.99Å
664	I	60.2	Low	56.5	Low	38 Å²	38	69.2 Å²	69.2	20%	0.195	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-30.4	-179	-53.8	179.5	0	0	0	110.8	Q660 K689	Q660-I664 HydrophobicContact CB-CD1 4.11Å; Q660-I664 HydrophobicContact CG-CD1 3.98Å; Q660-I664 VanDerWaalsContact O-CB 3.28Å; Q660-I664 WeakPolarHBondContact O-CB 3.43Å; Q660-I664 PolarHBondContact O-N 2.81Å; I664-K689 HydrophobicContact CD1-CG 4.36Å
665	N	55.6	Low	57.2	Low	110 Å²	110	74.4 Å²	74.4	59%	0.588	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-21.4	175.9	-63.6	-33.1	0	0	0	113.6	N661 R667	N661-N665 VanDerWaalsContact CA-ND2 3.34Å; N661-N665 WeakPolarHBondContact CA-ND2 3.43Å; N661-N665 WeakPolarHBondContact O-CB 3.49Å; N661-N665 PolarHBondContact O-ND2 2.78Å; N661-N665 PolarHBondContact OD1-ND2 2.71Å; N661-N665 VanDerWaalsContact OD1-ND2 3.13Å; N665-R667 PolarHBondContact O-N 2.86Å
666	D	57.1	Low	57.3	Low	57 Å²	57	77 Å²	77	31%	0.305	37%	0.371	S	S	.	.			trans	-80.2	69.2	171.6	-163.3	-20.1	0	0	0	110.7	Y662 S668 H669 L670	Y662-D666 WeakPolarHBondContact O-CB 3.46Å; Y662-D666 PolarHBondContact O-N 3.15Å; D666-S668 PolarHBondContact O-N 3.25Å; D666-S668 WeakPolarHBondContact OD1-CB 3.43Å; D666-S668 PolarHBondContact OD1-N 3.33Å; D666-S668 PolarHBondContact OD1-OG 3.33Å; D666-H669 HydrophobicContact CB-CB 4.07Å; D666-H669 WeakPolarHBondContact O-CB 3.33Å; D666-H669 PolarHBondContact O-N 2.75Å; D666-H669 PolarHBondContact OD1-N 3.47Å; D666-L670 PolarHBondContact O-N 2.97Å; D666-L670 VanDerWaalsContact O-N 3.08Å
667	R	63.2	Low	57.5	Low	93 Å²	93	78.2 Å²	78.2	35%	0.351	37%	0.373	S	S	.	.	H	α-helix	trans	-58.4	-29	176.9	-163.2	179.2	-171.4	92.1	-15.2	112	N665 L670 E671 E685	N665-R667 PolarHBondContact O-N 2.86Å; R667-L670 PolarHBondContact O-N 2.88Å; R667-E671 IonicContact NE-OE1 3.15Å; R667-E671 VanDerWaalsContact O-CB 3.32Å; R667-E671 WeakPolarHBondContact O-CB 3.46Å; R667-E671 WeakPolarHBondContact O-CG 3.39Å; R667-E671 PolarHBondContact O-N 3.03Å; R667-E685 IonicContact NH1-OE1 2.96Å
668	S	56.4	Low	57.6	Low	84 Å²	84	81.4 Å²	81.4	59%	0.587	38%	0.382	S	S	*	.	H	α-helix	trans	-60.5	-47.7	171.7	17.1	0	0	0	0	112.3	D666 E671 E672	D666-S668 PolarHBondContact O-N 3.25Å; D666-S668 WeakPolarHBondContact OD1-CB 3.43Å; D666-S668 PolarHBondContact OD1-N 3.33Å; D666-S668 PolarHBondContact OD1-OG 3.33Å; S668-E671 PolarHBondContact O-N 2.78Å; S668-E672 WeakPolarHBondContact O-CB 3.21Å; S668-E672 PolarHBondContact O-N 2.71Å
669	H	63.1	Low	57.9	Low	87 Å²	87	77.7 Å²	77.7	40%	0.403	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-42	175.4	-172.8	-83.5	0	0	0	111.4	D666 E672 M673	D666-H669 HydrophobicContact CB-CB 4.07Å; D666-H669 WeakPolarHBondContact O-CB 3.33Å; D666-H669 PolarHBondContact O-N 2.75Å; D666-H669 PolarHBondContact OD1-N 3.47Å; H669-E672 PolarHBondContact O-N 3.15Å; H669-M673 PolarHBondContact CE1-SD 3.47Å; H669-M673 PolarHBondContact ND1-SD 2.85Å; H669-M673 VanDerWaalsContact O-CG 3.29Å; H669-M673 WeakPolarHBondContact O-CG 3.29Å; H669-M673 PolarHBondContact O-N 2.94Å
670	L	65	Low	59.1	Low	1 Å²	1	80.9 Å²	80.9	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-38.7	176.5	-65	172.9	0	0	0	112.8	I663 D666 R667 A674 V681 I684 E685 I688	I663-L670 HydrophobicContact CG2-CD2 4.34Å; I663-L670 WeakPolarHBondContact O-CD1 3.25Å; D666-L670 PolarHBondContact O-N 2.97Å; D666-L670 VanDerWaalsContact O-N 3.08Å; R667-L670 PolarHBondContact O-N 2.88Å; L670-A674 VanDerWaalsContact O-CB 3.26Å; L670-A674 WeakPolarHBondContact O-CB 3.28Å; L670-A674 PolarHBondContact O-N 2.75Å; L670-V681 HydrophobicContact CB-CG1 4.13Å; L670-I684 HydrophobicContact CD2-CG2 3.85Å; L670-E685 HydrophobicContact CD1-CG 3.86Å; L670-I688 HydrophobicContact CD2-CD1 3.74Å
671	E	65.6	Low	59.7	Low	39 Å²	39	78.3 Å²	78.3	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-36.4	173.1	-80.4	178.5	-145.7	0	0	112.8	R667 S668 A674 R675 V681 Y1041	R667-E671 IonicContact NE-OE1 3.15Å; R667-E671 VanDerWaalsContact O-CB 3.32Å; R667-E671 WeakPolarHBondContact O-CB 3.46Å; R667-E671 WeakPolarHBondContact O-CG 3.39Å; R667-E671 PolarHBondContact O-N 3.03Å; S668-E671 PolarHBondContact O-N 2.78Å; E671-A674 PolarHBondContact O-N 3.31Å; E671-R675 WeakPolarHBondContact O-CG 3.41Å; E671-R675 PolarHBondContact O-N 3.32Å; E671-R675 IonicContact OE2-NH2 3.1Å; E671-R675 PolarHBondContact OE2-NH2 3.29Å; E671-V681 HydrophobicContact CB-CG2 4.5Å; E671-V681 HydrophobicContact CG-CG2 3.82Å; E671-Y1041 PolarHBondContact OE1-OH 3.15Å
672	E	66.2	Low	60.3	Low	128 Å²	128	74.8 Å²	74.8	60%	0.598	35%	0.349	S	S	*	.	H	α-helix	trans	-65.4	-46.6	174	-173.5	163.2	-153.7	0	0	110.7	S668 H669 A674 R675 L676	S668-E672 WeakPolarHBondContact O-CB 3.21Å; S668-E672 PolarHBondContact O-N 2.71Å; H669-E672 PolarHBondContact O-N 3.15Å; E672-A674 PolarHBondContact O-N 3.04Å; E672-R675 PolarHBondContact O-N 2.84Å; E672-L676 VanDerWaalsContact O-CB 3.31Å; E672-L676 WeakPolarHBondContact O-CB 3.4Å; E672-L676 PolarHBondContact O-N 3Å
673	M	54	Low	61	Low	31 Å²	31	71.5 Å²	71.5	15%	0.153	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-42.9	173.7	-65	-176.7	92.7	0	0	112.3	W637 V641 H669 R675 L676 Y677 I684	W637-M673 HydrophobicContact CZ2-CE 3.63Å; V641-M673 HydrophobicContact CG2-CE 4.22Å; H669-M673 PolarHBondContact CE1-SD 3.47Å; H669-M673 PolarHBondContact ND1-SD 2.85Å; H669-M673 VanDerWaalsContact O-CG 3.29Å; H669-M673 WeakPolarHBondContact O-CG 3.29Å; H669-M673 PolarHBondContact O-N 2.94Å; M673-R675 PolarHBondContact O-N 3.11Å; M673-L676 PolarHBondContact O-N 2.84Å; M673-Y677 WeakPolarHBondContact O-CD2 3.31Å; M673-Y677 PolarHBondContact O-N 3.14Å; M673-I684 HydrophobicContact CB-CD1 3.76Å
674	A	64.8	Low	61.6	Low	12 Å²	12	69.5 Å²	69.5	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-45.4	176.9	0	0	0	0	0	112	L670 E671 E672 K678 V679 V681 I684	L670-A674 VanDerWaalsContact O-CB 3.26Å; L670-A674 WeakPolarHBondContact O-CB 3.28Å; L670-A674 PolarHBondContact O-N 2.75Å; E671-A674 PolarHBondContact O-N 3.31Å; E672-A674 PolarHBondContact O-N 3.04Å; A674-K678 WeakPolarHBondContact O-CA 3.38Å; A674-K678 PolarHBondContact O-N 3.34Å; A674-V679 CarbonylContact C-O 3.52Å; A674-V679 WeakPolarHBondContact CA-O 3.25Å; A674-V679 WeakPolarHBondContact CB-O 3.43Å; A674-V679 PolarHBondContact O-N 3Å; A674-V681 HydrophobicContact CB-CG2 3.59Å; A674-I684 HydrophobicContact CB-CD1 4.15Å
675	R	61	Low	62	Low	178 Å²	178	69.2 Å²	69.2	67%	0.672	33%	0.328	S	S	*	.	H	α-helix	trans	-65.8	-38.7	175	-72.5	177	-172.1	147.9	15.6	112.7	E671 E672 M673	E671-R675 WeakPolarHBondContact O-CG 3.41Å; E671-R675 PolarHBondContact O-N 3.32Å; E671-R675 IonicContact OE2-NH2 3.1Å; E671-R675 PolarHBondContact OE2-NH2 3.29Å; E672-R675 PolarHBondContact O-N 2.84Å; M673-R675 PolarHBondContact O-N 3.11Å
676	L	54.7	Low	62.8	Low	118 Å²	118	70.3 Å²	70.3	62%	0.618	33%	0.329	S	S	*	.	H	α-helix	trans	-71.1	-36.2	-175.6	-153.3	155.5	0	0	0	112.1	E672 M673	E672-L676 VanDerWaalsContact O-CB 3.31Å; E672-L676 WeakPolarHBondContact O-CB 3.4Å; E672-L676 PolarHBondContact O-N 3Å; M673-L676 PolarHBondContact O-N 2.84Å
677	Y	52.4	Low	63.7	Low	72 Å²	72	69 Å²	69	28%	0.282	32%	0.32	S	S	.	.	H	α-helix	trans	-103.6	-3.8	-178.6	-64.9	-74.7	0	0	0	115.3	W637 M673 V679	W637-Y677 HydrophobicContact CB-CD1 4.12Å; W637-Y677 HydrophobicContact CB-CE1 3.73Å; W637-Y677 AromaticContact CD1-CD2 3.98Å; W637-Y677 AromaticContact CD1-CE1 3.82Å; W637-Y677 AromaticContact CD1-CE2 3.31Å; W637-Y677 AromaticContact CD1-CZ 3.21Å; W637-Y677 HydrophobicContact CD2-CD2 4.18Å; W637-Y677 HydrophobicContact CD2-CE2 4.27Å; W637-Y677 HydrophobicContact CD2-CG 4.34Å; W637-Y677 HydrophobicContact CG-CD1 4.07Å; W637-Y677 HydrophobicContact CG-CD2 4.15Å; W637-Y677 AromaticContact CG-CE1 3.76Å; W637-Y677 HydrophobicContact CG-CE1 3.76Å; W637-Y677 AromaticContact CG-CE2 3.86Å; W637-Y677 HydrophobicContact CG-CE2 3.86Å; W637-Y677 HydrophobicContact CG-CG 4.27Å; W637-Y677 AromaticContact CG-CZ 3.65Å; W637-Y677 AromaticContact NE1-CD2 3.88Å; W637-Y677 AromaticContact NE1-CE2 3.41Å; W637-Y677 AromaticContact NE1-CZ 3.84Å; M673-Y677 WeakPolarHBondContact O-CD2 3.31Å; M673-Y677 PolarHBondContact O-N 3.14Å; Y677-V679 VanDerWaalsContact C-N 3.27Å; Y677-V679 PolarHBondContact O-N 2.8Å
678	K	53.8	Low	63.9	Low	171 Å²	171	65 Å²	65	74%	0.743	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	33.5	-174	-56.7	-174.8	178.2	-177.2	0	114.2	A674	A674-K678 WeakPolarHBondContact O-CA 3.38Å; A674-K678 PolarHBondContact O-N 3.34Å
679	V	57.3	Low	64.6	Low	19 Å²	19	65.1 Å²	65.1	12%	0.115	30%	0.295	C	S	.	.			trans	-107.8	146.9	177.3	177.7	0	0	0	0	108	I634 A674 Y677 E683 I684	I634-V679 HydrophobicContact CD1-CG2 3.56Å; I634-V679 HydrophobicContact CG1-CG2 3.79Å; A674-V679 CarbonylContact C-O 3.52Å; A674-V679 WeakPolarHBondContact CA-O 3.25Å; A674-V679 WeakPolarHBondContact CB-O 3.43Å; A674-V679 PolarHBondContact O-N 3Å; Y677-V679 VanDerWaalsContact C-N 3.27Å; Y677-V679 PolarHBondContact O-N 2.8Å; V679-E683 HydrophobicContact CG1-CB 3.55Å; V679-E683 WeakPolarHBondContact CG1-OE2 3.25Å; V679-I684 HydrophobicContact CB-CD1 4.37Å; V679-I684 HydrophobicContact CB-CG1 4.18Å; V679-I684 HydrophobicContact CG1-CD1 4.46Å; V679-I684 HydrophobicContact CG1-CG1 3.74Å
680	K	72.7	Confident	65.2	Low	84 Å²	84	63.4 Å²	63.4	37%	0.365	29%	0.293	S	S	.	.			trans	-64.6	146.3	175.7	-73	170.7	139.2	-100	0	110.5	E682 E683 I684 R1039	K680-E682 HydrophobicContact CB-CB 4.11Å; K680-E682 IonicContact NZ-OE1 2.7Å; K680-E682 PolarHBondContact NZ-OE1 3.32Å; K680-E682 IonicContact NZ-OE2 2.64Å; K680-E682 PolarHBondContact NZ-OE2 3.3Å; K680-E682 PolarHBondContact O-N 2.92Å; K680-E683 HydrophobicContact CB-CB 4.23Å; K680-E683 HydrophobicContact CB-CG 3.95Å; K680-E683 WeakPolarHBondContact CB-OE2 3.26Å; K680-E683 HydrophobicContact CD-CG 4.5Å; K680-E683 PolarHBondContact N-OE2 3.21Å; K680-E683 PolarHBondContact O-N 2.96Å; K680-I684 PolarHBondContact O-N 3.2Å; K680-R1039 PolarHBondContact NZ-O 2.86Å; K680-R1039 VanDerWaalsContact NZ-O 3.08Å
681	V	66	Low	65.3	Low	13 Å²	13	64.1 Å²	64.1	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-51	-41.8	168.2	176.8	0	0	0	0	110.3	L670 E671 A674 E683 I684 E685	L670-V681 HydrophobicContact CB-CG1 4.13Å; E671-V681 HydrophobicContact CB-CG2 4.5Å; E671-V681 HydrophobicContact CG-CG2 3.82Å; A674-V681 HydrophobicContact CB-CG2 3.59Å; V681-E683 VanDerWaalsContact C-N 3.34Å; V681-E683 PolarHBondContact O-N 2.97Å; V681-I684 PolarHBondContact O-N 3.24Å; V681-E685 HydrophobicContact CG1-CG 4.43Å; V681-E685 WeakPolarHBondContact O-CB 3.48Å; V681-E685 WeakPolarHBondContact O-CG 3.48Å; V681-E685 PolarHBondContact O-N 2.92Å
682	E	70.5	Confident	65.2	Low	28 Å²	28	62.8 Å²	62.8	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-55.6	-41.6	175.3	-55.9	159.2	-154.4	0	0	113.3	K680 Q686 Q1040 Y1041 S1042	K680-E682 HydrophobicContact CB-CB 4.11Å; K680-E682 IonicContact NZ-OE1 2.7Å; K680-E682 PolarHBondContact NZ-OE1 3.32Å; K680-E682 IonicContact NZ-OE2 2.64Å; K680-E682 PolarHBondContact NZ-OE2 3.3Å; K680-E682 PolarHBondContact O-N 2.92Å; E682-Q686 VanDerWaalsContact O-CB 3.32Å; E682-Q686 WeakPolarHBondContact O-CB 3.24Å; E682-Q686 WeakPolarHBondContact O-CG 3.33Å; E682-Q686 PolarHBondContact O-N 3.1Å; E682-Q1040 VanDerWaalsContact OE1-C 3.22Å; E682-Y1041 PolarHBondContact OE1-N 3.35Å; E682-S1042 PolarHBondContact OE1-N 3.18Å
683	E	67.4	Low	65.3	Low	97 Å²	97	63.6 Å²	63.6	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-77.6	-35.5	-178.5	-69.8	164.3	155.6	0	0	111.1	V679 K680 V681 W687	V679-E683 HydrophobicContact CG1-CB 3.55Å; V679-E683 WeakPolarHBondContact CG1-OE2 3.25Å; K680-E683 HydrophobicContact CB-CB 4.23Å; K680-E683 HydrophobicContact CB-CG 3.95Å; K680-E683 WeakPolarHBondContact CB-OE2 3.26Å; K680-E683 HydrophobicContact CD-CG 4.5Å; K680-E683 PolarHBondContact N-OE2 3.21Å; K680-E683 PolarHBondContact O-N 2.96Å; V681-E683 VanDerWaalsContact C-N 3.34Å; V681-E683 PolarHBondContact O-N 2.97Å; E683-W687 VanDerWaalsContact O-CB 3.28Å; E683-W687 WeakPolarHBondContact O-CB 3.45Å; E683-W687 PolarHBondContact O-N 2.83Å
684	I	66.6	Low	66	Low	0 Å²	0	66.4 Å²	66.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-45.3	171	-60.8	-174.2	0	0	0	110.3	W637 L670 M673 A674 V679 K680 V681 W687 I688	W637-I684 HydrophobicContact CH2-CB 4.39Å; W637-I684 HydrophobicContact CH2-CD1 4.17Å; W637-I684 HydrophobicContact CH2-CG1 3.85Å; W637-I684 HydrophobicContact CH2-CG2 4.06Å; W637-I684 HydrophobicContact CZ2-CD1 4.37Å; W637-I684 HydrophobicContact CZ2-CG1 4.48Å; W637-I684 HydrophobicContact CZ2-CG2 4.27Å; L670-I684 HydrophobicContact CD2-CG2 3.85Å; M673-I684 HydrophobicContact CB-CD1 3.76Å; A674-I684 HydrophobicContact CB-CD1 4.15Å; V679-I684 HydrophobicContact CB-CD1 4.37Å; V679-I684 HydrophobicContact CB-CG1 4.18Å; V679-I684 HydrophobicContact CG1-CD1 4.46Å; V679-I684 HydrophobicContact CG1-CG1 3.74Å; K680-I684 PolarHBondContact O-N 3.2Å; V681-I684 PolarHBondContact O-N 3.24Å; I684-W687 PolarHBondContact O-N 3.4Å; I684-I688 HydrophobicContact CG2-CD1 3.79Å; I684-I688 HydrophobicContact CG2-CG1 4.43Å; I684-I688 WeakPolarHBondContact O-CB 3.32Å; I684-I688 VanDerWaalsContact O-CG1 3.3Å; I684-I688 WeakPolarHBondContact O-CG1 3.27Å; I684-I688 PolarHBondContact O-N 3.43Å
685	E	68.7	Low	65.8	Low	32 Å²	32	66.3 Å²	66.3	15%	0.15	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-45	174.2	-82.6	-167.5	-133.5	0	0	111.8	R667 L670 V681 I688 K689	R667-E685 IonicContact NH1-OE1 2.96Å; L670-E685 HydrophobicContact CD1-CG 3.86Å; V681-E685 HydrophobicContact CG1-CG 4.43Å; V681-E685 WeakPolarHBondContact O-CB 3.48Å; V681-E685 WeakPolarHBondContact O-CG 3.48Å; V681-E685 PolarHBondContact O-N 2.92Å; E685-I688 PolarHBondContact O-N 3.02Å; E685-K689 VanDerWaalsContact O-CB 3.24Å; E685-K689 WeakPolarHBondContact O-CB 3.46Å; E685-K689 WeakPolarHBondContact O-CD 3.33Å; E685-K689 WeakPolarHBondContact O-CG 3.24Å; E685-K689 PolarHBondContact O-N 2.88Å; E685-K689 WeakPolarHBondContact OE2-CE 3.36Å; E685-K689 IonicContact OE2-NZ 3.68Å; E685-K689 PolarHBondContact OE2-NZ 3.41Å
686	Q	73.1	Confident	65.5	Low	133 Å²	133	61.7 Å²	61.7	62%	0.621	29%	0.287	S	S	*	.	H	α-helix	trans	-64.8	-40.4	176.5	-77.3	176.7	33.4	0	0	111.7	E682 K689 S690	E682-Q686 VanDerWaalsContact O-CB 3.32Å; E682-Q686 WeakPolarHBondContact O-CB 3.24Å; E682-Q686 WeakPolarHBondContact O-CG 3.33Å; E682-Q686 PolarHBondContact O-N 3.1Å; Q686-K689 PolarHBondContact O-N 3.03Å; Q686-S690 VanDerWaalsContact O-CB 3.29Å; Q686-S690 WeakPolarHBondContact O-CB 3.27Å; Q686-S690 PolarHBondContact O-N 2.85Å; Q686-S690 PolarHBondContact O-OG 3.47Å
687	W	75.9	Confident	65.6	Low	28 Å²	28	60 Å²	60	11%	0.106	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-49.4	175.1	-179.8	74	0	0	0	111.5	W637 Q638 V641 L645 E683 I684 K689 S690 E691	W637-W687 AromaticContact CH2-CE3 3.98Å; W637-W687 HydrophobicContact CH2-CE3 3.98Å; W637-W687 HydrophobicContact CH2-CZ3 4.37Å; W637-W687 HydrophobicContact CZ2-CZ3 4.5Å; Q638-W687 HydrophobicContact CB-CZ2 3.78Å; Q638-W687 HydrophobicContact CG-CD2 4.06Å; Q638-W687 HydrophobicContact CG-CG 4.41Å; Q638-W687 HydrophobicContact CG-CZ2 3.95Å; Q638-W687 WeakPolarHBondContact O-CZ2 3.35Å; V641-W687 HydrophobicContact CB-CH2 3.71Å; V641-W687 HydrophobicContact CB-CZ3 3.96Å; V641-W687 HydrophobicContact CG1-CH2 3.7Å; V641-W687 HydrophobicContact CG1-CZ3 3.61Å; L645-W687 HydrophobicContact CD1-CH2 4.1Å; L645-W687 HydrophobicContact CD1-CZ3 4.35Å; E683-W687 VanDerWaalsContact O-CB 3.28Å; E683-W687 WeakPolarHBondContact O-CB 3.45Å; E683-W687 PolarHBondContact O-N 2.83Å; I684-W687 PolarHBondContact O-N 3.4Å; W687-K689 PolarHBondContact O-N 3.05Å; W687-S690 CarbonylContact O-C 3.56Å; W687-S690 WeakPolarHBondContact O-CA 3.41Å; W687-S690 WeakPolarHBondContact O-CB 3.48Å; W687-S690 PolarHBondContact O-N 3.44Å; W687-S690 PolarHBondContact O-OG 3.33Å; W687-E691 HydrophobicContact CZ2-CG 4.36Å; W687-E691 PolarHBondContact O-N 2.87Å
688	I	66.8	Low	65.7	Low	10 Å²	10	60.2 Å²	60.2	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-43.8	176.2	-68.6	169.8	0	0	0	111.1	I663 L670 I684 E685 S690 E691 L692	I663-I688 HydrophobicContact CG2-CD1 3.99Å; L670-I688 HydrophobicContact CD2-CD1 3.74Å; I684-I688 HydrophobicContact CG2-CD1 3.79Å; I684-I688 HydrophobicContact CG2-CG1 4.43Å; I684-I688 WeakPolarHBondContact O-CB 3.32Å; I684-I688 VanDerWaalsContact O-CG1 3.3Å; I684-I688 WeakPolarHBondContact O-CG1 3.27Å; I684-I688 PolarHBondContact O-N 3.43Å; E685-I688 PolarHBondContact O-N 3.02Å; I688-S690 VanDerWaalsContact C-N 3.29Å; I688-S690 PolarHBondContact O-N 2.87Å; I688-E691 PolarHBondContact O-N 3.19Å; I688-L692 HydrophobicContact CG2-CD1 3.88Å; I688-L692 HydrophobicContact CG2-CG 4.41Å; I688-L692 WeakPolarHBondContact O-CB 3.14Å; I688-L692 WeakPolarHBondContact O-CG 3.2Å; I688-L692 PolarHBondContact O-N 2.92Å
689	K	70.9	Confident	65.2	Low	86 Å²	86	52.6 Å²	52.6	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-31.5	175.3	-70.4	164.4	-167.3	172.1	0	111.9	I664 E685 Q686 W687 K693	I664-K689 HydrophobicContact CD1-CG 4.36Å; E685-K689 VanDerWaalsContact O-CB 3.24Å; E685-K689 WeakPolarHBondContact O-CB 3.46Å; E685-K689 WeakPolarHBondContact O-CD 3.33Å; E685-K689 WeakPolarHBondContact O-CG 3.24Å; E685-K689 PolarHBondContact O-N 2.88Å; E685-K689 WeakPolarHBondContact OE2-CE 3.36Å; E685-K689 IonicContact OE2-NZ 3.68Å; E685-K689 PolarHBondContact OE2-NZ 3.41Å; Q686-K689 PolarHBondContact O-N 3.03Å; W687-K689 PolarHBondContact O-N 3.05Å; K689-K693 WeakPolarHBondContact O-CB 3.38Å; K689-K693 WeakPolarHBondContact O-CG 3.47Å; K689-K693 PolarHBondContact O-N 2.8Å; K689-K693 VanDerWaalsContact O-N 3.07Å
690	S	76.3	Confident	64.7	Low	52 Å²	52	55.8 Å²	55.8	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-73.4	-38.4	174.6	80.6	0	0	0	0	112.4	Q686 W687 I688 K693 K694	Q686-S690 VanDerWaalsContact O-CB 3.29Å; Q686-S690 WeakPolarHBondContact O-CB 3.27Å; Q686-S690 PolarHBondContact O-N 2.85Å; Q686-S690 PolarHBondContact O-OG 3.47Å; W687-S690 CarbonylContact O-C 3.56Å; W687-S690 WeakPolarHBondContact O-CA 3.41Å; W687-S690 WeakPolarHBondContact O-CB 3.48Å; W687-S690 PolarHBondContact O-N 3.44Å; W687-S690 PolarHBondContact O-OG 3.33Å; I688-S690 VanDerWaalsContact C-N 3.29Å; I688-S690 PolarHBondContact O-N 2.87Å; S690-K693 CarbonylContact O-C 3.6Å; S690-K693 WeakPolarHBondContact O-CB 3.49Å; S690-K693 PolarHBondContact O-N 2.83Å; S690-K694 WeakPolarHBondContact O-CG 3.48Å; S690-K694 PolarHBondContact O-N 3.49Å
691	E	66.7	Low	63.2	Low	16 Å²	16	55.6 Å²	55.6	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-76.5	-34.9	179	-133.3	63.8	-173	0	0	111.5	L645 W687 I688 K693 K694 F695	L645-E691 HydrophobicContact CD1-CB 4.3Å; L645-E691 HydrophobicContact CD1-CG 4.45Å; W687-E691 HydrophobicContact CZ2-CG 4.36Å; W687-E691 PolarHBondContact O-N 2.87Å; I688-E691 PolarHBondContact O-N 3.19Å; E691-K693 VanDerWaalsContact C-N 3.33Å; E691-K694 CarbonylContact O-C 3.58Å; E691-K694 WeakPolarHBondContact O-CA 3.45Å; E691-K694 WeakPolarHBondContact O-CB 3.41Å; E691-K694 PolarHBondContact O-N 2.94Å; E691-K694 VanDerWaalsContact O-N 3.13Å; E691-K694 IonicContact OE1-NZ 3.32Å; E691-K694 PolarHBondContact OE1-NZ 3.08Å; E691-K694 IonicContact OE2-NZ 3.3Å; E691-K694 PolarHBondContact OE2-NZ 2.9Å; E691-F695 HydrophobicContact CB-CE2 4.22Å; E691-F695 HydrophobicContact CG-CE2 4.04Å; E691-F695 HydrophobicContact CG-CZ 3.97Å; E691-F695 WeakPolarHBondContact O-CD2 3.44Å; E691-F695 WeakPolarHBondContact O-CG 3.43Å; E691-F695 PolarHBondContact O-N 3.35Å
692	L	63.4	Low	62.6	Low	10 Å²	10	59 Å²	59	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-39.6	167.3	-73.4	169.9	0	0	0	111.8	F659 Q660 I688 K694 F695 Q696	F659-L692 HydrophobicContact CD1-CD2 3.95Å; F659-L692 HydrophobicContact CE1-CD2 4.23Å; Q660-L692 HydrophobicContact CG-CD1 3.83Å; I688-L692 HydrophobicContact CG2-CD1 3.88Å; I688-L692 HydrophobicContact CG2-CG 4.41Å; I688-L692 WeakPolarHBondContact O-CB 3.14Å; I688-L692 WeakPolarHBondContact O-CG 3.2Å; I688-L692 PolarHBondContact O-N 2.92Å; L692-K694 VanDerWaalsContact C-N 3.34Å; L692-F695 PolarHBondContact O-N 3.34Å; L692-Q696 WeakPolarHBondContact O-CG 3.4Å; L692-Q696 PolarHBondContact O-N 2.81Å
693	K	68.1	Low	61.6	Low	146 Å²	146	59 Å²	59	64%	0.635	30%	0.299	S	S	*	.	H	α-helix	trans	-65.1	-35.8	170.1	-80.3	-178.4	177.6	-175.1	0	112.3	K689 S690 E691 Q696 S697	K689-K693 WeakPolarHBondContact O-CB 3.38Å; K689-K693 WeakPolarHBondContact O-CG 3.47Å; K689-K693 PolarHBondContact O-N 2.8Å; K689-K693 VanDerWaalsContact O-N 3.07Å; S690-K693 CarbonylContact O-C 3.6Å; S690-K693 WeakPolarHBondContact O-CB 3.49Å; S690-K693 PolarHBondContact O-N 2.83Å; E691-K693 VanDerWaalsContact C-N 3.33Å; K693-Q696 PolarHBondContact O-N 3.09Å; K693-S697 WeakPolarHBondContact O-CB 3.49Å; K693-S697 PolarHBondContact O-N 3.11Å; K693-S697 PolarHBondContact O-OG 3.06Å
694	K	68.6	Low	60.5	Low	89 Å²	89	58.2 Å²	58.2	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-59	-52.9	169.2	-70.7	-158.2	-169.1	105.9	0	110.5	S690 E691 L692 Q696 S697 E698	S690-K694 WeakPolarHBondContact O-CG 3.48Å; S690-K694 PolarHBondContact O-N 3.49Å; E691-K694 CarbonylContact O-C 3.58Å; E691-K694 WeakPolarHBondContact O-CA 3.45Å; E691-K694 WeakPolarHBondContact O-CB 3.41Å; E691-K694 PolarHBondContact O-N 2.94Å; E691-K694 VanDerWaalsContact O-N 3.13Å; E691-K694 IonicContact OE1-NZ 3.32Å; E691-K694 PolarHBondContact OE1-NZ 3.08Å; E691-K694 IonicContact OE2-NZ 3.3Å; E691-K694 PolarHBondContact OE2-NZ 2.9Å; L692-K694 VanDerWaalsContact C-N 3.34Å; K694-Q696 VanDerWaalsContact C-N 3.29Å; K694-Q696 PolarHBondContact O-N 2.79Å; K694-S697 WeakPolarHBondContact CA-OG 3.32Å; K694-S697 CarbonylContact O-C 3.59Å; K694-S697 VanDerWaalsContact O-C 3.3Å; K694-S697 VanDerWaalsContact O-CA 3.32Å; K694-S697 WeakPolarHBondContact O-CA 3.4Å; K694-S697 PolarHBondContact O-N 3.46Å; K694-S697 PolarHBondContact O-OG 2.92Å; K694-E698 WeakPolarHBondContact O-CB 3.49Å; K694-E698 WeakPolarHBondContact O-CG 3.29Å; K694-E698 PolarHBondContact O-N 2.8Å
695	F	60.5	Low	59.7	Low	10 Å²	10	63.6 Å²	63.6	4%	0.044	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-31.7	-179.9	-58.1	-45.5	0	0	0	113.8	L645 R646 E691 L692 E698 L700	L645-F695 HydrophobicContact CB-CE2 3.63Å; L645-F695 HydrophobicContact CB-CZ 3.85Å; L645-F695 HydrophobicContact CD1-CE2 4.02Å; L645-F695 HydrophobicContact CG-CE2 4.41Å; R646-F695 HydrophobicContact CG-CD1 4.42Å; R646-F695 HydrophobicContact CG-CE1 3.47Å; R646-F695 VanDerWaalsContact CG-CE1 3.47Å; R646-F695 HydrophobicContact CG-CZ 3.86Å; E691-F695 HydrophobicContact CB-CE2 4.22Å; E691-F695 HydrophobicContact CG-CE2 4.04Å; E691-F695 HydrophobicContact CG-CZ 3.97Å; E691-F695 WeakPolarHBondContact O-CD2 3.44Å; E691-F695 WeakPolarHBondContact O-CG 3.43Å; E691-F695 PolarHBondContact O-N 3.35Å; L692-F695 PolarHBondContact O-N 3.34Å; F695-E698 WeakPolarHBondContact CD1-OE2 3.4Å; F695-L700 HydrophobicContact CB-CD1 4.46Å
696	Q	55.5	Low	59.3	Low	82 Å²	82	63.9 Å²	63.9	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-67.5	-33.5	169	-72.9	174	-21.7	0	0	112.4	L692 K693 K694 L701	L692-Q696 WeakPolarHBondContact O-CG 3.4Å; L692-Q696 PolarHBondContact O-N 2.81Å; K693-Q696 PolarHBondContact O-N 3.09Å; K694-Q696 VanDerWaalsContact C-N 3.29Å; K694-Q696 PolarHBondContact O-N 2.79Å; Q696-L701 HydrophobicContact CG-CD1 4.24Å
697	S	55.7	Low	58.6	Low	81 Å²	81	59.2 Å²	59.2	57%	0.566	31%	0.305	S	S	*	.	H	α-helix	trans	-88.4	-10.3	175.1	71.3	0	0	0	0	115.6	K693 K694 G699 E1516	K693-S697 WeakPolarHBondContact O-CB 3.49Å; K693-S697 PolarHBondContact O-N 3.11Å; K693-S697 PolarHBondContact O-OG 3.06Å; K694-S697 WeakPolarHBondContact CA-OG 3.32Å; K694-S697 CarbonylContact O-C 3.59Å; K694-S697 VanDerWaalsContact O-C 3.3Å; K694-S697 VanDerWaalsContact O-CA 3.32Å; K694-S697 WeakPolarHBondContact O-CA 3.4Å; K694-S697 PolarHBondContact O-N 3.46Å; K694-S697 PolarHBondContact O-OG 2.92Å; S697-G699 VanDerWaalsContact C-N 3.28Å; S697-E1516 VanDerWaalsContact O-OE1 3.13Å
698	E	54.7	Low	57.6	Low	78 Å²	78	60.2 Å²	60.2	36%	0.364	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	15.9	172.8	-72.1	-178	174.8	0	0	111.4	R646 K694 F695 L700	R646-E698 IonicContact CZ-OE1 3.75Å; R646-E698 IonicContact CZ-OE2 3.27Å; R646-E698 IonicContact NE-OE2 3.21Å; R646-E698 VanDerWaalsContact NH2-CD 3.35Å; R646-E698 IonicContact NH2-OE1 2.89Å; R646-E698 PolarHBondContact NH2-OE1 3.06Å; R646-E698 IonicContact NH2-OE2 3.79Å; R646-E698 PolarHBondContact NH2-OE2 3.22Å; R646-E698 VanDerWaalsContact NH2-OE2 3.15Å; K694-E698 WeakPolarHBondContact O-CB 3.49Å; K694-E698 WeakPolarHBondContact O-CG 3.29Å; K694-E698 PolarHBondContact O-N 2.8Å; F695-E698 WeakPolarHBondContact CD1-OE2 3.4Å; E698-L700 VanDerWaalsContact C-N 3.28Å; E698-L700 PolarHBondContact O-N 3.42Å; E698-L700 VanDerWaalsContact O-N 3.09Å
699	G	44.4	Very low	57.5	Low	10 Å²	10	64.3 Å²	64.3	10%	0.103	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-2.7	164.5	0	0	0	0	0	117.8	S697 L701 K702 G703 E1516	S697-G699 VanDerWaalsContact C-N 3.28Å; G699-L701 PolarHBondContact O-N 2.84Å; G699-K702 PolarHBondContact O-N 3.33Å; G699-G703 PolarHBondContact O-N 3.48Å; G699-E1516 WeakPolarHBondContact CA-OE1 3.39Å; G699-E1516 WeakPolarHBondContact CA-OE2 3.18Å; G699-E1516 PolarHBondContact N-OE1 3.32Å
700	L	46.4	Very low	57.5	Low	87 Å²	87	63.5 Å²	63.5	46%	0.455	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.2	-174.9	-75.1	164.8	0	0	0	114	F695 E698	F695-L700 HydrophobicContact CB-CD1 4.46Å; E698-L700 VanDerWaalsContact C-N 3.28Å; E698-L700 PolarHBondContact O-N 3.42Å; E698-L700 VanDerWaalsContact O-N 3.09Å
701	L	40.2	Very low	57.2	Low	79 Å²	79	62.4 Å²	62.4	41%	0.414	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-41.6	172.2	-84.7	164.2	0	0	0	113.5	I656 Q696 G699 G703 V704 E705	I656-L701 HydrophobicContact CD1-CD1 3.76Å; I656-L701 HydrophobicContact CD1-CD2 4.33Å; I656-L701 HydrophobicContact CD1-CG 3.87Å; Q696-L701 HydrophobicContact CG-CD1 4.24Å; G699-L701 PolarHBondContact O-N 2.84Å; L701-G703 VanDerWaalsContact C-N 3.32Å; L701-G703 PolarHBondContact O-N 2.76Å; L701-V704 WeakPolarHBondContact O-CB 3.17Å; L701-V704 PolarHBondContact O-N 2.88Å; L701-E705 PolarHBondContact O-N 2.9Å
702	K	53.4	Low	57.2	Low	84 Å²	84	63.7 Å²	63.7	37%	0.365	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-41.3	-173.2	-68.4	-175.5	-169.5	161.1	0	112.3	G699 V704 E705 Q706 E1516	G699-K702 PolarHBondContact O-N 3.33Å; K702-V704 PolarHBondContact O-N 3.44Å; K702-E705 PolarHBondContact O-N 3.49Å; K702-E705 VanDerWaalsContact O-N 3.16Å; K702-Q706 VanDerWaalsContact C-OE1 3.31Å; K702-Q706 VanDerWaalsContact O-CB 3.31Å; K702-Q706 WeakPolarHBondContact O-CB 3.49Å; K702-Q706 WeakPolarHBondContact O-CG 3.37Å; K702-Q706 PolarHBondContact O-N 2.76Å; K702-Q706 PolarHBondContact O-OE1 2.77Å; K702-Q706 VanDerWaalsContact O-OE1 3.07Å; K702-E1516 WeakPolarHBondContact CD-OE2 3.45Å; K702-E1516 VanDerWaalsContact CE-OE2 3.32Å; K702-E1516 WeakPolarHBondContact CE-OE2 3.36Å; K702-E1516 IonicContact NZ-OE2 2.76Å; K702-E1516 PolarHBondContact NZ-OE2 2.97Å
703	G	50.8	Low	57.8	Low	30 Å²	30	67.6 Å²	67.6	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-58.5	-34.6	177.3	0	0	0	0	0	112.9	G699 L701 E707	G699-G703 PolarHBondContact O-N 3.48Å; L701-G703 VanDerWaalsContact C-N 3.32Å; L701-G703 PolarHBondContact O-N 2.76Å; G703-E707 PolarHBondContact O-N 2.82Å; G703-E707 VanDerWaalsContact O-N 3.07Å
704	V	44.6	Very low	58	Low	80 Å²	80	64.6 Å²	64.6	49%	0.485	33%	0.329	S	S	.	.	H	α-helix	trans	-75.5	-43.5	175.9	-175.7	0	0	0	0	111	L701 K702 Q706 L708	L701-V704 WeakPolarHBondContact O-CB 3.17Å; L701-V704 PolarHBondContact O-N 2.88Å; K702-V704 PolarHBondContact O-N 3.44Å; V704-Q706 PolarHBondContact O-N 3.4Å; V704-L708 VanDerWaalsContact O-CB 3.25Å; V704-L708 WeakPolarHBondContact O-CB 3.34Å; V704-L708 PolarHBondContact O-N 3.16Å
705	E	48.2	Very low	58	Low	112 Å²	112	60.7 Å²	60.7	52%	0.523	31%	0.312	S	S	.	.	H	α-helix	trans	-57.8	-37.6	172.9	-66.6	-175.5	118.3	0	0	112.1	L701 K702 L708 I709	L701-E705 PolarHBondContact O-N 2.9Å; K702-E705 PolarHBondContact O-N 3.49Å; K702-E705 VanDerWaalsContact O-N 3.16Å; E705-L708 WeakPolarHBondContact O-CB 3.15Å; E705-L708 PolarHBondContact O-N 3.33Å; E705-I709 WeakPolarHBondContact O-CD1 3.37Å; E705-I709 WeakPolarHBondContact O-CG1 3.3Å; E705-I709 PolarHBondContact O-N 2.8Å
706	Q	62	Low	58.5	Low	38 Å²	38	64.4 Å²	64.4	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-81.7	-35.2	-174.7	-67.1	164.6	-47.1	0	0	112.4	K702 V704 L708 I709 Q710 N1520	K702-Q706 VanDerWaalsContact C-OE1 3.31Å; K702-Q706 VanDerWaalsContact O-CB 3.31Å; K702-Q706 WeakPolarHBondContact O-CB 3.49Å; K702-Q706 WeakPolarHBondContact O-CG 3.37Å; K702-Q706 PolarHBondContact O-N 2.76Å; K702-Q706 PolarHBondContact O-OE1 2.77Å; K702-Q706 VanDerWaalsContact O-OE1 3.07Å; V704-Q706 PolarHBondContact O-N 3.4Å; Q706-L708 VanDerWaalsContact C-N 3.33Å; Q706-I709 PolarHBondContact O-N 3.3Å; Q706-Q710 WeakPolarHBondContact O-CG 3.29Å; Q706-Q710 PolarHBondContact O-N 3.1Å; Q706-N1520 WeakPolarHBondContact CB-OD1 3.49Å; Q706-N1520 WeakPolarHBondContact CG-OD1 3.16Å; Q706-N1520 PolarHBondContact NE2-ND2 2.81Å; Q706-N1520 PolarHBondContact NE2-OD1 3.23Å; Q706-N1520 PolarHBondContact OE1-OD1 3.5Å
707	E	56.8	Low	59.5	Low	36 Å²	36	64.4 Å²	64.4	17%	0.168	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-41.9	164.2	-79.3	-125	143.5	0	0	111.3	G703 I709 Q710 W711 Y751	G703-E707 PolarHBondContact O-N 2.82Å; G703-E707 VanDerWaalsContact O-N 3.07Å; E707-I709 PolarHBondContact O-N 2.92Å; E707-Q710 PolarHBondContact O-N 2.74Å; E707-W711 PolarHBondContact O-N 2.86Å; E707-Y751 HydrophobicContact CB-CE1 4.2Å; E707-Y751 WeakPolarHBondContact OE2-CE1 3.39Å; E707-Y751 PolarHBondContact OE2-OH 2.79Å
708	L	55.3	Low	60.4	Low	49 Å²	49	64.3 Å²	64.3	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-46.4	176.5	-179.9	74.3	0	0	0	111.1	V704 E705 Q706 W711 Q712 I753	V704-L708 VanDerWaalsContact O-CB 3.25Å; V704-L708 WeakPolarHBondContact O-CB 3.34Å; V704-L708 PolarHBondContact O-N 3.16Å; E705-L708 WeakPolarHBondContact O-CB 3.15Å; E705-L708 PolarHBondContact O-N 3.33Å; Q706-L708 VanDerWaalsContact C-N 3.33Å; L708-W711 HydrophobicContact CD1-CE3 4.19Å; L708-W711 PolarHBondContact O-N 3.34Å; L708-Q712 WeakPolarHBondContact O-CB 3.49Å; L708-Q712 VanDerWaalsContact O-CG 3.26Å; L708-Q712 WeakPolarHBondContact O-CG 3.16Å; L708-Q712 PolarHBondContact O-N 2.96Å; L708-I753 HydrophobicContact CD1-CD1 3.41Å; L708-I753 VanDerWaalsContact CD1-CD1 3.41Å; L708-I753 HydrophobicContact CD1-CG1 4.21Å
709	I	65.8	Low	61	Low	96 Å²	96	61.1 Å²	61.1	49%	0.492	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-43.5	176.5	-72	161.4	0	0	0	111.4	E705 Q706 E707 Q712 Q713	E705-I709 WeakPolarHBondContact O-CD1 3.37Å; E705-I709 WeakPolarHBondContact O-CG1 3.3Å; E705-I709 PolarHBondContact O-N 2.8Å; Q706-I709 PolarHBondContact O-N 3.3Å; E707-I709 PolarHBondContact O-N 2.92Å; I709-Q712 PolarHBondContact O-N 3.45Å; I709-Q713 WeakPolarHBondContact O-CB 3.21Å; I709-Q713 PolarHBondContact O-N 2.83Å
710	Q	69.9	Low	62.2	Low	68 Å²	68	63.1 Å²	63.1	32%	0.318	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-40.6	176.6	-72.9	-174.9	33.1	0	0	112.6	Q706 E707 Q713 K714 N1520	Q706-Q710 WeakPolarHBondContact O-CG 3.29Å; Q706-Q710 PolarHBondContact O-N 3.1Å; E707-Q710 PolarHBondContact O-N 2.74Å; Q710-Q713 PolarHBondContact O-N 3Å; Q710-K714 PolarHBondContact O-N 3.23Å; Q710-N1520 PolarHBondContact NE2-O 3.38Å
711	W	70.3	Confident	63.4	Low	30 Å²	30	60.9 Å²	60.9	11%	0.114	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-49.2	174.1	168.1	67.2	0	0	0	111.4	E707 L708 Q713 K714 E715 F744 L747 I758 W761	E707-W711 PolarHBondContact O-N 2.86Å; L708-W711 HydrophobicContact CD1-CE3 4.19Å; L708-W711 PolarHBondContact O-N 3.34Å; W711-Q713 PolarHBondContact O-N 3.33Å; W711-K714 PolarHBondContact O-N 2.98Å; W711-K714 VanDerWaalsContact O-N 3.17Å; W711-E715 HydrophobicContact CZ2-CB 4.14Å; W711-E715 HydrophobicContact CZ2-CG 4.11Å; W711-E715 PolarHBondContact O-N 3.29Å; W711-F744 HydrophobicContact CZ2-CD1 4.36Å; W711-F744 HydrophobicContact CZ2-CE1 4.19Å; W711-L747 HydrophobicContact CD2-CD2 3.85Å; W711-L747 HydrophobicContact CG-CD2 3.86Å; W711-L747 HydrophobicContact CZ2-CD1 3.79Å; W711-L747 HydrophobicContact CZ2-CD2 4.3Å; W711-L747 VanDerWaalsContact NE1-CD1 3.3Å; W711-I758 HydrophobicContact CH2-CG2 4.33Å; W711-W761 HydrophobicContact CH2-CE3 4.08Å; W711-W761 HydrophobicContact CH2-CZ3 4.41Å
712	Q	67.1	Low	64.6	Low	42 Å²	42	58.3 Å²	58.3	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-53.5	-45.5	176.2	-75.5	-177.7	21.1	0	0	110.5	L708 I709 E715 R716 W761	L708-Q712 WeakPolarHBondContact O-CB 3.49Å; L708-Q712 VanDerWaalsContact O-CG 3.26Å; L708-Q712 WeakPolarHBondContact O-CG 3.16Å; L708-Q712 PolarHBondContact O-N 2.96Å; I709-Q712 PolarHBondContact O-N 3.45Å; Q712-E715 PolarHBondContact O-N 3.49Å; Q712-R716 WeakPolarHBondContact O-CG 3.47Å; Q712-R716 PolarHBondContact O-N 3.48Å; Q712-W761 HydrophobicContact CB-CZ2 4.21Å; Q712-W761 HydrophobicContact CG-CD2 4.26Å; Q712-W761 HydrophobicContact CG-CG 4.09Å; Q712-W761 VanDerWaalsContact CG-NE1 3.3Å; Q712-W761 VanDerWaalsContact O-CZ2 3.28Å; Q712-W761 WeakPolarHBondContact O-CZ2 3.46Å
713	Q	74.9	Confident	65.1	Low	93 Å²	93	55.5 Å²	55.5	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-41.1	179.7	-169.2	166	-22.9	0	0	113	I709 Q710 W711 E715 R716 E717	I709-Q713 WeakPolarHBondContact O-CB 3.21Å; I709-Q713 PolarHBondContact O-N 2.83Å; Q710-Q713 PolarHBondContact O-N 3Å; W711-Q713 PolarHBondContact O-N 3.33Å; Q713-E715 VanDerWaalsContact C-N 3.34Å; Q713-E715 PolarHBondContact O-N 3.5Å; Q713-R716 WeakPolarHBondContact O-CB 3.27Å; Q713-R716 PolarHBondContact O-N 3.46Å; Q713-E717 PolarHBondContact O-N 2.78Å; Q713-E717 VanDerWaalsContact O-N 3.08Å
714	K	73.7	Confident	65.8	Low	82 Å²	82	60.8 Å²	60.8	36%	0.357	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-37.8	172.2	-79	178.4	169.9	176.9	0	112.6	Q710 W711 E717 R718 D1528	Q710-K714 PolarHBondContact O-N 3.23Å; W711-K714 PolarHBondContact O-N 2.98Å; W711-K714 VanDerWaalsContact O-N 3.17Å; K714-E717 PolarHBondContact O-N 3.32Å; K714-R718 PolarHBondContact O-N 2.89Å; K714-D1528 IonicContact NZ-OD1 3.87Å; K714-D1528 PolarHBondContact NZ-OD1 3.4Å
715	E	67.6	Low	66.5	Low	7 Å²	7	64.6 Å²	64.6	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-74.8	-30.9	176.9	-169.6	61.2	-160.5	0	0	112.1	W711 Q712 Q713 R718 L719 H743 F744 W761	W711-E715 HydrophobicContact CZ2-CB 4.14Å; W711-E715 HydrophobicContact CZ2-CG 4.11Å; W711-E715 PolarHBondContact O-N 3.29Å; Q712-E715 PolarHBondContact O-N 3.49Å; Q713-E715 VanDerWaalsContact C-N 3.34Å; Q713-E715 PolarHBondContact O-N 3.5Å; E715-R718 VanDerWaalsContact CD-NE 3.27Å; E715-R718 PolarHBondContact O-N 2.84Å; E715-R718 IonicContact OE1-CZ 2.69Å; E715-R718 VanDerWaalsContact OE1-CZ 3.24Å; E715-R718 IonicContact OE1-NE 2.88Å; E715-R718 PolarHBondContact OE1-NE 3.36Å; E715-R718 IonicContact OE1-NH2 3.5Å; E715-R718 PolarHBondContact OE1-NH2 2.96Å; E715-R718 IonicContact OE2-CZ 2.67Å; E715-R718 IonicContact OE2-NE 3.19Å; E715-R718 PolarHBondContact OE2-NE 3.47Å; E715-R718 IonicContact OE2-NH2 2.8Å; E715-L719 HydrophobicContact CG-CD1 4.42Å; E715-L719 WeakPolarHBondContact O-CB 3.45Å; E715-L719 WeakPolarHBondContact O-CG 3.12Å; E715-L719 PolarHBondContact O-N 3.31Å; E715-H743 IonicContact OE2-CE1 3.9Å; E715-F744 HydrophobicContact CG-CE1 4.34Å; E715-W761 HydrophobicContact CB-CH2 3.58Å; E715-W761 HydrophobicContact CB-CZ2 4.3Å; E715-W761 HydrophobicContact CB-CZ3 4.07Å; E715-W761 HydrophobicContact CG-CH2 3.44Å; E715-W761 VanDerWaalsContact CG-CH2 3.44Å; E715-W761 HydrophobicContact CG-CZ3 3.51Å
716	R	72.2	Confident	66.2	Low	89 Å²	89	62 Å²	62	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-56	-50.4	166.3	-69.7	-162.5	155.3	115	13.1	110.8	Q712 Q713 R718 L719 Q720 W761 E765	Q712-R716 WeakPolarHBondContact O-CG 3.47Å; Q712-R716 PolarHBondContact O-N 3.48Å; Q713-R716 WeakPolarHBondContact O-CB 3.27Å; Q713-R716 PolarHBondContact O-N 3.46Å; R716-R718 VanDerWaalsContact C-N 3.34Å; R716-R718 PolarHBondContact O-N 2.83Å; R716-L719 PolarHBondContact O-N 2.8Å; R716-Q720 WeakPolarHBondContact O-CB 3.49Å; R716-Q720 PolarHBondContact O-N 3.36Å; R716-W761 HydrophobicContact CG-CZ2 3.78Å; R716-E765 WeakPolarHBondContact CG-OE1 3.28Å; R716-E765 IonicContact CZ-OE2 2.72Å; R716-E765 VanDerWaalsContact CZ-OE2 3.28Å; R716-E765 VanDerWaalsContact NE-CD 3.33Å; R716-E765 IonicContact NE-OE1 3.68Å; R716-E765 PolarHBondContact NE-OE1 3.46Å; R716-E765 IonicContact NE-OE2 2.66Å; R716-E765 PolarHBondContact NE-OE2 3.21Å; R716-E765 IonicContact NH2-OE2 3.05Å; R716-E765 PolarHBondContact NH2-OE2 2.77Å
717	E	75.4	Confident	65.7	Low	82 Å²	82	66.3 Å²	66.3	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-41	179.1	-70.8	173.4	-166.9	0	0	111.4	Q713 K714 A721 H1571	Q713-E717 PolarHBondContact O-N 2.78Å; Q713-E717 VanDerWaalsContact O-N 3.08Å; K714-E717 PolarHBondContact O-N 3.32Å; E717-A721 WeakPolarHBondContact O-CB 3.43Å; E717-A721 PolarHBondContact O-N 2.93Å; E717-H1571 IonicContact OE1-CD2 3.13Å; E717-H1571 PolarHBondContact OE1-CD2 2.96Å
718	R	74.5	Confident	65.6	Low	78 Å²	78	66.7 Å²	66.7	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-60.1	-47.6	174.7	-163.4	176.3	79.3	100.7	12.3	111.9	K714 E715 R716 I722 D740	K714-R718 PolarHBondContact O-N 2.89Å; E715-R718 VanDerWaalsContact CD-NE 3.27Å; E715-R718 PolarHBondContact O-N 2.84Å; E715-R718 IonicContact OE1-CZ 2.69Å; E715-R718 VanDerWaalsContact OE1-CZ 3.24Å; E715-R718 IonicContact OE1-NE 2.88Å; E715-R718 PolarHBondContact OE1-NE 3.36Å; E715-R718 IonicContact OE1-NH2 3.5Å; E715-R718 PolarHBondContact OE1-NH2 2.96Å; E715-R718 IonicContact OE2-CZ 2.67Å; E715-R718 IonicContact OE2-NE 3.19Å; E715-R718 PolarHBondContact OE2-NE 3.47Å; E715-R718 IonicContact OE2-NH2 2.8Å; R716-R718 VanDerWaalsContact C-N 3.34Å; R716-R718 PolarHBondContact O-N 2.83Å; R718-I722 HydrophobicContact CG-CD1 4.19Å; R718-I722 WeakPolarHBondContact O-CB 3.26Å; R718-I722 VanDerWaalsContact O-CG1 3.27Å; R718-I722 WeakPolarHBondContact O-CG1 3.47Å; R718-I722 PolarHBondContact O-N 2.88Å; R718-D740 IonicContact CZ-OD2 3.84Å; R718-D740 VanDerWaalsContact CZ-OD2 3.27Å; R718-D740 IonicContact NH1-OD1 2.79Å; R718-D740 PolarHBondContact NH1-OD1 3.01Å; R718-D740 IonicContact NH1-OD2 2.78Å; R718-D740 PolarHBondContact NH1-OD2 3.04Å; R718-D740 IonicContact NH2-OD1 3.69Å; R718-D740 IonicContact NH2-OD2 3.23Å; R718-D740 PolarHBondContact NH2-OD2 2.94Å
719	L	66.7	Low	65.7	Low	12 Å²	12	67.5 Å²	67.5	6%	0.063	34%	0.339	C	S	.	.	H	α-helix	trans	-66.8	-46.2	178.9	-70.1	171.1	0	0	0	112	E715 R716 A721 I722 V723 W761 L762 E765	E715-L719 HydrophobicContact CG-CD1 4.42Å; E715-L719 WeakPolarHBondContact O-CB 3.45Å; E715-L719 WeakPolarHBondContact O-CG 3.12Å; E715-L719 PolarHBondContact O-N 3.31Å; R716-L719 PolarHBondContact O-N 2.8Å; L719-A721 VanDerWaalsContact C-N 3.33Å; L719-A721 PolarHBondContact O-N 3.47Å; L719-I722 WeakPolarHBondContact O-CB 3.16Å; L719-I722 PolarHBondContact O-N 2.81Å; L719-V723 VanDerWaalsContact O-CG2 3.3Å; L719-V723 WeakPolarHBondContact O-CG2 3.48Å; L719-V723 PolarHBondContact O-N 3.22Å; L719-W761 HydrophobicContact CD1-CH2 3.82Å; L719-W761 HydrophobicContact CD1-CZ3 4Å; L719-L762 HydrophobicContact CD1-CD2 4.11Å; L719-E765 HydrophobicContact CD1-CG 3.96Å
720	Q	71.5	Confident	65	Low	52 Å²	52	66.1 Å²	66.1	24%	0.243	34%	0.335	C	S	.	.	H	α-helix	trans	-65.3	-37.1	-180	-143.4	178.2	32.2	0	0	111	R716 V723 Q724 L769 E772 L774	R716-Q720 WeakPolarHBondContact O-CB 3.49Å; R716-Q720 PolarHBondContact O-N 3.36Å; Q720-V723 PolarHBondContact O-N 2.74Å; Q720-Q724 WeakPolarHBondContact O-CB 3.3Å; Q720-Q724 VanDerWaalsContact O-CG 3.3Å; Q720-Q724 WeakPolarHBondContact O-CG 3.34Å; Q720-Q724 PolarHBondContact O-N 2.73Å; Q720-L769 HydrophobicContact CG-CD2 4.31Å; Q720-E772 PolarHBondContact NE2-OE2 2.83Å; Q720-L774 HydrophobicContact CG-CD1 4.49Å
721	A	71.5	Confident	64.2	Low	39 Å²	39	69.8 Å²	69.8	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-67.7	-40.6	172.6	0	0	0	0	0	113	E717 L719 V723 Q724 Q725	E717-A721 WeakPolarHBondContact O-CB 3.43Å; E717-A721 PolarHBondContact O-N 2.93Å; L719-A721 VanDerWaalsContact C-N 3.33Å; L719-A721 PolarHBondContact O-N 3.47Å; A721-V723 VanDerWaalsContact C-N 3.29Å; A721-V723 PolarHBondContact O-N 3.45Å; A721-Q724 PolarHBondContact O-N 3.21Å; A721-Q725 WeakPolarHBondContact O-CB 3.21Å; A721-Q725 WeakPolarHBondContact O-CG 3.46Å; A721-Q725 PolarHBondContact O-N 3.11Å
722	I	64.6	Low	63.6	Low	25 Å²	25	72.9 Å²	72.9	13%	0.128	37%	0.368	C	S	.	.	H	α-helix	trans	-57.5	-44.5	174.5	-81.5	166.7	0	0	0	111	R718 L719 N726 L728 L733	R718-I722 HydrophobicContact CG-CD1 4.19Å; R718-I722 WeakPolarHBondContact O-CB 3.26Å; R718-I722 VanDerWaalsContact O-CG1 3.27Å; R718-I722 WeakPolarHBondContact O-CG1 3.47Å; R718-I722 PolarHBondContact O-N 2.88Å; L719-I722 WeakPolarHBondContact O-CB 3.16Å; L719-I722 PolarHBondContact O-N 2.81Å; I722-N726 PolarHBondContact O-ND2 2.67Å; I722-N726 VanDerWaalsContact O-ND2 3.12Å; I722-L728 HydrophobicContact CG2-CD1 4.12Å; I722-L733 HydrophobicContact CG2-CD2 3.93Å
723	V	63.7	Low	63.4	Low	26 Å²	26	72.2 Å²	72.2	16%	0.158	37%	0.365	C	S	.	.	H	α-helix	trans	-71.2	-38.3	-179.9	170.5	0	0	0	0	112.2	L719 Q720 A721 L733 L769 L774	L719-V723 VanDerWaalsContact O-CG2 3.3Å; L719-V723 WeakPolarHBondContact O-CG2 3.48Å; L719-V723 PolarHBondContact O-N 3.22Å; Q720-V723 PolarHBondContact O-N 2.74Å; A721-V723 VanDerWaalsContact C-N 3.29Å; A721-V723 PolarHBondContact O-N 3.45Å; V723-L733 HydrophobicContact CG2-CD1 4.32Å; V723-L733 HydrophobicContact CG2-CD2 4.07Å; V723-L769 HydrophobicContact CG2-CD1 4.45Å; V723-L774 HydrophobicContact CG1-CB 3.8Å; V723-L774 HydrophobicContact CG1-CD1 4.06Å; V723-L774 HydrophobicContact CG1-CD2 4.29Å; V723-L774 HydrophobicContact CG1-CG 4.27Å
724	Q	65.6	Low	62.4	Low	141 Å²	141	71 Å²	71	66%	0.659	36%	0.36	S	S	*	.	H	α-helix	trans	-74.3	-34.2	177.2	-74.2	178.8	15.9	0	0	113.7	Q720 A721	Q720-Q724 WeakPolarHBondContact O-CB 3.3Å; Q720-Q724 VanDerWaalsContact O-CG 3.3Å; Q720-Q724 WeakPolarHBondContact O-CG 3.34Å; Q720-Q724 PolarHBondContact O-N 2.73Å; A721-Q724 PolarHBondContact O-N 3.21Å
725	Q	58.8	Low	61.9	Low	159 Å²	159	71 Å²	71	74%	0.743	37%	0.366	S	S	*	.	H	α-helix	trans	-82.6	-16	-173.9	-74.4	-174	0.8	0	0	114.9	A721	A721-Q725 WeakPolarHBondContact O-CB 3.21Å; A721-Q725 WeakPolarHBondContact O-CG 3.46Å; A721-Q725 PolarHBondContact O-N 3.11Å
726	N	43.2	Very low	61.7	Low	59 Å²	59	74.8 Å²	74.8	32%	0.316	38%	0.38	S	S	.	.			trans	-142.6	131.2	-170.3	-51	-99.9	0	0	0	110.7	I722 L728 R736	I722-N726 PolarHBondContact O-ND2 2.67Å; I722-N726 VanDerWaalsContact O-ND2 3.12Å; N726-L728 HydrophobicContact CB-CD1 3.66Å; N726-L728 HydrophobicContact CB-CD2 4.2Å; N726-L728 HydrophobicContact CB-CG 3.52Å; N726-L728 PolarHBondContact O-N 2.69Å; N726-R736 PolarHBondContact ND2-NH1 2.98Å
727	S	51.1	Low	61.2	Low	128 Å²	128	72.4 Å²	72.4	90%	0.895	37%	0.374	S	S	*	.			trans	-76.8	60	171.1	61.3	0	0	0	0	111.4
728	L	54.5	Low	60.4	Low	44 Å²	44	73.9 Å²	73.9	23%	0.23	38%	0.379	C	S	.	.			trans	-75.4	137.1	-178.9	-65.6	161.4	0	0	0	110.2	I722 N726 Q732 L733	I722-L728 HydrophobicContact CG2-CD1 4.12Å; N726-L728 HydrophobicContact CB-CD1 3.66Å; N726-L728 HydrophobicContact CB-CD2 4.2Å; N726-L728 HydrophobicContact CB-CG 3.52Å; N726-L728 PolarHBondContact O-N 2.69Å; L728-Q732 HydrophobicContact CB-CB 3.98Å; L728-Q732 HydrophobicContact CD2-CB 3.74Å; L728-Q732 HydrophobicContact CG-CB 4.41Å; L728-L733 HydrophobicContact CB-CG 4.39Å
729	T	57.1	Low	60	Low	66 Å²	66	76 Å²	76	41%	0.405	40%	0.396	S	S	.	.			trans	-69.3	162.5	166.4	57.9	0	0	0	0	110.7	E731 Q732 L733	T729-E731 PolarHBondContact O-N 2.83Å; T729-Q732 VanDerWaalsContact N-OE1 3.08Å; T729-Q732 WeakPolarHBondContact O-CA 3.39Å; T729-Q732 WeakPolarHBondContact O-CB 3.44Å; T729-Q732 PolarHBondContact O-N 3.31Å; T729-Q732 WeakPolarHBondContact OG1-CG 3.09Å; T729-L733 PolarHBondContact O-N 2.97Å
730	V	52.1	Low	59.9	Low	66 Å²	66	77.1 Å²	77.1	40%	0.4	40%	0.402	S	S	.	.	H	α-helix	trans	-55.5	-38.4	176.7	-179.3	0	0	0	0	111.1	Q732 L733 E734	V730-Q732 VanDerWaalsContact C-N 3.31Å; V730-Q732 PolarHBondContact O-N 2.78Å; V730-L733 PolarHBondContact O-N 3.29Å; V730-E734 PolarHBondContact O-N 2.94Å
731	E	52.1	Low	59.4	Low	146 Å²	146	79.9 Å²	79.9	68%	0.682	42%	0.415	S	S	*	.	H	α-helix	trans	-58.9	-37.8	172.6	-57.9	175	126.5	0	0	113.1	T729 E734 V735	T729-E731 PolarHBondContact O-N 2.83Å; E731-E734 WeakPolarHBondContact O-CB 3.03Å; E731-E734 PolarHBondContact O-N 3.28Å; E731-V735 WeakPolarHBondContact O-CB 3.21Å; E731-V735 VanDerWaalsContact O-CG2 3.28Å; E731-V735 WeakPolarHBondContact O-CG2 3.37Å; E731-V735 PolarHBondContact O-N 2.99Å
732	Q	57.6	Low	59.1	Low	95 Å²	95	83.2 Å²	83.2	44%	0.444	43%	0.427	S	S	.	.	H	α-helix	trans	-79.1	-27.3	-179.3	-67.4	170	-16.1	0	0	112.2	L728 T729 V730 R736	L728-Q732 HydrophobicContact CB-CB 3.98Å; L728-Q732 HydrophobicContact CD2-CB 3.74Å; L728-Q732 HydrophobicContact CG-CB 4.41Å; T729-Q732 VanDerWaalsContact N-OE1 3.08Å; T729-Q732 WeakPolarHBondContact O-CA 3.39Å; T729-Q732 WeakPolarHBondContact O-CB 3.44Å; T729-Q732 PolarHBondContact O-N 3.31Å; T729-Q732 WeakPolarHBondContact OG1-CG 3.09Å; V730-Q732 VanDerWaalsContact C-N 3.31Å; V730-Q732 PolarHBondContact O-N 2.78Å; Q732-R736 PolarHBondContact O-N 2.8Å; Q732-R736 VanDerWaalsContact O-N 3.13Å
733	L	62.4	Low	59.2	Low	28 Å²	28	85.5 Å²	85.5	15%	0.147	44%	0.437	C	S	.	.	H	α-helix	trans	-68.6	-46.3	165.2	-88.7	161	0	0	0	111.2	I722 V723 L728 T729 V730 V735 R736 I737	I722-L733 HydrophobicContact CG2-CD2 3.93Å; V723-L733 HydrophobicContact CG2-CD1 4.32Å; V723-L733 HydrophobicContact CG2-CD2 4.07Å; L728-L733 HydrophobicContact CB-CG 4.39Å; T729-L733 PolarHBondContact O-N 2.97Å; V730-L733 PolarHBondContact O-N 3.29Å; L733-V735 VanDerWaalsContact C-N 3.33Å; L733-V735 PolarHBondContact O-N 3.32Å; L733-R736 PolarHBondContact O-N 3.02Å; L733-I737 WeakPolarHBondContact O-CG1 3.44Å; L733-I737 PolarHBondContact O-N 3.21Å
734	E	53.6	Low	59.2	Low	68 Å²	68	84.9 Å²	84.9	32%	0.318	43%	0.432	S	S	.	.	H	α-helix	trans	-55.5	-46.4	172.2	-86.1	-163.4	-161.8	0	0	111.8	V730 E731 R736 I737 K738	V730-E734 PolarHBondContact O-N 2.94Å; E731-E734 WeakPolarHBondContact O-CB 3.03Å; E731-E734 PolarHBondContact O-N 3.28Å; E734-R736 VanDerWaalsContact C-N 3.33Å; E734-R736 PolarHBondContact O-N 3.3Å; E734-I737 PolarHBondContact O-N 2.88Å; E734-K738 VanDerWaalsContact O-CB 3.26Å; E734-K738 WeakPolarHBondContact O-CB 3.47Å; E734-K738 VanDerWaalsContact O-CG 3.23Å; E734-K738 WeakPolarHBondContact O-CG 3.45Å; E734-K738 PolarHBondContact O-N 3.13Å; E734-K738 IonicContact OE2-NZ 2.72Å; E734-K738 PolarHBondContact OE2-NZ 3.12Å
735	V	63.3	Low	58.8	Low	81 Å²	81	82.6 Å²	82.6	49%	0.491	42%	0.42	S	S	.	.	H	α-helix	trans	-64.8	-35.5	179	167.5	0	0	0	0	111.6	E731 L733 N739	E731-V735 WeakPolarHBondContact O-CB 3.21Å; E731-V735 VanDerWaalsContact O-CG2 3.28Å; E731-V735 WeakPolarHBondContact O-CG2 3.37Å; E731-V735 PolarHBondContact O-N 2.99Å; L733-V735 VanDerWaalsContact C-N 3.33Å; L733-V735 PolarHBondContact O-N 3.32Å; V735-N739 WeakPolarHBondContact O-CB 3.42Å; V735-N739 PolarHBondContact O-N 2.97Å; V735-N739 PolarHBondContact O-ND2 2.97Å; V735-N739 VanDerWaalsContact O-ND2 3.15Å
736	R	64.3	Low	59.2	Low	87 Å²	87	80.6 Å²	80.6	33%	0.328	41%	0.409	S	S	.	.	H	α-helix	trans	-65.3	-49.3	171	-81.2	-170.2	175.8	174.4	4.8	111.8	N726 Q732 L733 E734 K738 N739 D740	N726-R736 PolarHBondContact ND2-NH1 2.98Å; Q732-R736 PolarHBondContact O-N 2.8Å; Q732-R736 VanDerWaalsContact O-N 3.13Å; L733-R736 PolarHBondContact O-N 3.02Å; E734-R736 VanDerWaalsContact C-N 3.33Å; E734-R736 PolarHBondContact O-N 3.3Å; R736-K738 VanDerWaalsContact C-N 3.31Å; R736-K738 PolarHBondContact O-N 3.19Å; R736-N739 PolarHBondContact O-N 2.98Å; R736-N739 VanDerWaalsContact O-N 3.15Å; R736-D740 WeakPolarHBondContact O-CB 3.47Å; R736-D740 PolarHBondContact O-N 2.78Å
737	I	62	Low	60	Low	38 Å²	38	78.4 Å²	78.4	20%	0.195	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-36.7	-179.4	-65.4	165.7	0	0	0	111.5	L733 E734 D740 Q741	L733-I737 WeakPolarHBondContact O-CG1 3.44Å; L733-I737 PolarHBondContact O-N 3.21Å; E734-I737 PolarHBondContact O-N 2.88Å; I737-D740 PolarHBondContact O-N 2.71Å; I737-Q741 PolarHBondContact O-N 3.23Å
738	K	58.5	Low	60.3	Low	114 Å²	114	72.7 Å²	72.7	50%	0.496	36%	0.358	S	S	.	.	H	α-helix	trans	-68.5	-38.7	174	-73.7	166.2	178.3	171.4	0	112.2	E734 R736 D740 Q741	E734-K738 VanDerWaalsContact O-CB 3.26Å; E734-K738 WeakPolarHBondContact O-CB 3.47Å; E734-K738 VanDerWaalsContact O-CG 3.23Å; E734-K738 WeakPolarHBondContact O-CG 3.45Å; E734-K738 PolarHBondContact O-N 3.13Å; E734-K738 IonicContact OE2-NZ 2.72Å; E734-K738 PolarHBondContact OE2-NZ 3.12Å; R736-K738 VanDerWaalsContact C-N 3.31Å; R736-K738 PolarHBondContact O-N 3.19Å; K738-D740 VanDerWaalsContact C-N 3.34Å; K738-Q741 WeakPolarHBondContact O-CB 3.47Å; K738-Q741 WeakPolarHBondContact O-CG 3.35Å; K738-Q741 PolarHBondContact O-N 2.62Å
739	N	64.9	Low	60.4	Low	121 Å²	121	77 Å²	77	65%	0.647	38%	0.381	S	S	*	.	H	α-helix	trans	-70	-30.3	173.2	-70.1	-20.9	0	0	0	112.7	V735 R736 Q741	V735-N739 WeakPolarHBondContact O-CB 3.42Å; V735-N739 PolarHBondContact O-N 2.97Å; V735-N739 PolarHBondContact O-ND2 2.97Å; V735-N739 VanDerWaalsContact O-ND2 3.15Å; R736-N739 PolarHBondContact O-N 2.98Å; R736-N739 VanDerWaalsContact O-N 3.15Å; N739-Q741 PolarHBondContact O-N 3.46Å
740	D	65.8	Low	60.5	Low	37 Å²	37	80 Å²	80	20%	0.198	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	2.8	174.6	-76.9	-35	0	0	0	113.5	R718 R736 I737 K738 D742 H743 F744	R718-D740 IonicContact CZ-OD2 3.84Å; R718-D740 VanDerWaalsContact CZ-OD2 3.27Å; R718-D740 IonicContact NH1-OD1 2.79Å; R718-D740 PolarHBondContact NH1-OD1 3.01Å; R718-D740 IonicContact NH1-OD2 2.78Å; R718-D740 PolarHBondContact NH1-OD2 3.04Å; R718-D740 IonicContact NH2-OD1 3.69Å; R718-D740 IonicContact NH2-OD2 3.23Å; R718-D740 PolarHBondContact NH2-OD2 2.94Å; R736-D740 WeakPolarHBondContact O-CB 3.47Å; R736-D740 PolarHBondContact O-N 2.78Å; I737-D740 PolarHBondContact O-N 2.71Å; K738-D740 VanDerWaalsContact C-N 3.34Å; D740-D742 PolarHBondContact O-N 2.8Å; D740-D742 VanDerWaalsContact O-N 3.16Å; D740-H743 WeakPolarHBondContact O-CA 3.42Å; D740-H743 VanDerWaalsContact O-CB 3.3Å; D740-H743 WeakPolarHBondContact O-CB 3.23Å; D740-H743 PolarHBondContact O-N 3.01Å; D740-F744 HydrophobicContact CB-CD2 4.21Å; D740-F744 HydrophobicContact CB-CE2 3.78Å; D740-F744 WeakPolarHBondContact O-CD2 3.35Å; D740-F744 PolarHBondContact O-N 3.3Å; D740-F744 VanDerWaalsContact O-N 3.07Å
741	Q	60.1	Low	60.5	Low	110 Å²	110	79.4 Å²	79.4	51%	0.514	38%	0.38	S	S	.	.	H	α-helix	trans	-52.3	-38.3	171.7	-81.4	-174.4	-25.4	0	0	111.8	I737 K738 N739 H743 F744 F745	I737-Q741 PolarHBondContact O-N 3.23Å; K738-Q741 WeakPolarHBondContact O-CB 3.47Å; K738-Q741 WeakPolarHBondContact O-CG 3.35Å; K738-Q741 PolarHBondContact O-N 2.62Å; N739-Q741 PolarHBondContact O-N 3.46Å; Q741-H743 PolarHBondContact O-N 2.77Å; Q741-F744 PolarHBondContact O-N 3.25Å; Q741-F745 HydrophobicContact CB-CD2 4.2Å; Q741-F745 HydrophobicContact CB-CE2 4.01Å; Q741-F745 WeakPolarHBondContact O-CD2 3.36Å; Q741-F745 PolarHBondContact O-N 2.81Å
742	D	65	Low	60.1	Low	109 Å²	109	78.3 Å²	78.3	58%	0.583	37%	0.373	S	S	*	.	H	α-helix	trans	-66	-19.1	177.9	-133.5	59.3	0	0	0	113.2	D740 K746	D740-D742 PolarHBondContact O-N 2.8Å; D740-D742 VanDerWaalsContact O-N 3.16Å; D742-K746 VanDerWaalsContact CG-NZ 3.3Å; D742-K746 WeakPolarHBondContact O-CD 3.49Å; D742-K746 VanDerWaalsContact O-CG 3.29Å; D742-K746 WeakPolarHBondContact O-CG 3.45Å; D742-K746 PolarHBondContact O-NZ 3.2Å; D742-K746 IonicContact OD2-NZ 3.6Å; D742-K746 PolarHBondContact OD2-NZ 2.84Å
743	H	68.4	Low	59.7	Low	72 Å²	72	75.2 Å²	75.2	33%	0.333	36%	0.359	S	S	.	.	H	α-helix	trans	-84.1	-46.8	170.3	172	-113.7	0	0	0	110.6	E715 D740 Q741 F745 K746 L747	E715-H743 IonicContact OE2-CE1 3.9Å; D740-H743 WeakPolarHBondContact O-CA 3.42Å; D740-H743 VanDerWaalsContact O-CB 3.3Å; D740-H743 WeakPolarHBondContact O-CB 3.23Å; D740-H743 PolarHBondContact O-N 3.01Å; Q741-H743 PolarHBondContact O-N 2.77Å; H743-F745 PolarHBondContact O-N 2.79Å; H743-K746 PolarHBondContact O-N 3.23Å; H743-L747 VanDerWaalsContact CE1-CD1 3.44Å; H743-L747 WeakPolarHBondContact CE1-CD1 3.11Å; H743-L747 PolarHBondContact O-N 3.17Å
744	F	62.7	Low	59.1	Low	13 Å²	13	79.1 Å²	79.1	6%	0.057	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-37.3	179.7	-64.9	-60.7	0	0	0	113.5	W711 E715 D740 Q741 L747 A748 I758 L762	W711-F744 HydrophobicContact CZ2-CD1 4.36Å; W711-F744 HydrophobicContact CZ2-CE1 4.19Å; E715-F744 HydrophobicContact CG-CE1 4.34Å; D740-F744 HydrophobicContact CB-CD2 4.21Å; D740-F744 HydrophobicContact CB-CE2 3.78Å; D740-F744 WeakPolarHBondContact O-CD2 3.35Å; D740-F744 PolarHBondContact O-N 3.3Å; D740-F744 VanDerWaalsContact O-N 3.07Å; Q741-F744 PolarHBondContact O-N 3.25Å; F744-L747 WeakPolarHBondContact O-CB 3.2Å; F744-L747 PolarHBondContact O-N 2.85Å; F744-A748 PolarHBondContact O-N 2.85Å; F744-I758 HydrophobicContact CB-CG2 4.05Å; F744-I758 HydrophobicContact CD1-CG2 3.51Å; F744-I758 HydrophobicContact CE1-CG2 4.27Å; F744-I758 HydrophobicContact CG-CG2 3.99Å; F744-L762 HydrophobicContact CD1-CD1 4.46Å; F744-L762 HydrophobicContact CD2-CD1 4.34Å; F744-L762 HydrophobicContact CE1-CD1 4.15Å; F744-L762 HydrophobicContact CE1-CD2 4.43Å; F744-L762 HydrophobicContact CE2-CD1 4.03Å; F744-L762 HydrophobicContact CZ-CD1 3.93Å; F744-L762 HydrophobicContact CZ-CD2 4Å; F744-L762 HydrophobicContact CZ-CG 4.42Å
745	F	57.7	Low	59	Low	93 Å²	93	78.4 Å²	78.4	41%	0.408	38%	0.38	S	S	.	.	H	α-helix	trans	-64.2	-42.2	172.4	-74.5	-59.7	0	0	0	112.2	Q741 H743 L747 A748 D749 V755	Q741-F745 HydrophobicContact CB-CD2 4.2Å; Q741-F745 HydrophobicContact CB-CE2 4.01Å; Q741-F745 WeakPolarHBondContact O-CD2 3.36Å; Q741-F745 PolarHBondContact O-N 2.81Å; H743-F745 PolarHBondContact O-N 2.79Å; F745-L747 PolarHBondContact O-N 2.96Å; F745-A748 WeakPolarHBondContact O-CB 3.17Å; F745-A748 PolarHBondContact O-N 2.98Å; F745-D749 WeakPolarHBondContact O-CB 3.4Å; F745-D749 PolarHBondContact O-N 3.24Å; F745-V755 HydrophobicContact CD1-CG1 4.47Å; F745-V755 HydrophobicContact CD1-CG2 3.93Å; F745-V755 HydrophobicContact CE1-CG1 3.95Å; F745-V755 HydrophobicContact CE1-CG2 3.91Å
746	K	65.7	Low	58.6	Low	117 Å²	117	77.5 Å²	77.5	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-23	175.7	-67.7	-178	-167.1	80.5	0	113	D742 H743 K750	D742-K746 VanDerWaalsContact CG-NZ 3.3Å; D742-K746 WeakPolarHBondContact O-CD 3.49Å; D742-K746 VanDerWaalsContact O-CG 3.29Å; D742-K746 WeakPolarHBondContact O-CG 3.45Å; D742-K746 PolarHBondContact O-NZ 3.2Å; D742-K746 IonicContact OD2-NZ 3.6Å; D742-K746 PolarHBondContact OD2-NZ 2.84Å; H743-K746 PolarHBondContact O-N 3.23Å; K746-K750 VanDerWaalsContact O-CB 3.22Å; K746-K750 WeakPolarHBondContact O-CB 3.33Å; K746-K750 PolarHBondContact O-N 3.41Å; K746-K750 VanDerWaalsContact O-N 3.08Å
747	L	60.3	Low	58.4	Low	14 Å²	14	76.1 Å²	76.1	7%	0.073	37%	0.37	C	S	.	.	H	α-helix	trans	-77.8	-44.1	171.7	-94.8	147.9	0	0	0	112.2	W711 H743 F744 F745 K750 Y751 I758	W711-L747 HydrophobicContact CD2-CD2 3.85Å; W711-L747 HydrophobicContact CG-CD2 3.86Å; W711-L747 HydrophobicContact CZ2-CD1 3.79Å; W711-L747 HydrophobicContact CZ2-CD2 4.3Å; W711-L747 VanDerWaalsContact NE1-CD1 3.3Å; H743-L747 VanDerWaalsContact CE1-CD1 3.44Å; H743-L747 WeakPolarHBondContact CE1-CD1 3.11Å; H743-L747 PolarHBondContact O-N 3.17Å; F744-L747 WeakPolarHBondContact O-CB 3.2Å; F744-L747 PolarHBondContact O-N 2.85Å; F745-L747 PolarHBondContact O-N 2.96Å; L747-K750 PolarHBondContact O-N 2.8Å; L747-Y751 HydrophobicContact CD2-CD2 3.84Å; L747-Y751 HydrophobicContact CD2-CE2 3.83Å; L747-Y751 PolarHBondContact O-N 3.3Å; L747-I758 HydrophobicContact CB-CD1 4.32Å
748	A	57.7	Low	58.2	Low	8 Å²	8	74.5 Å²	74.5	7%	0.066	36%	0.362	C	S	.	.	H	α-helix	trans	-55.8	-50.5	170.2	0	0	0	0	0	110.9	F744 F745 K750 Y751 K752 I753 V755 I758	F744-A748 PolarHBondContact O-N 2.85Å; F745-A748 WeakPolarHBondContact O-CB 3.17Å; F745-A748 PolarHBondContact O-N 2.98Å; A748-K750 PolarHBondContact O-N 3.32Å; A748-Y751 PolarHBondContact O-N 3.49Å; A748-K752 WeakPolarHBondContact O-CA 3.4Å; A748-K752 PolarHBondContact O-N 2.9Å; A748-I753 WeakPolarHBondContact CA-O 3.44Å; A748-I753 WeakPolarHBondContact CB-O 3.31Å; A748-I753 PolarHBondContact O-N 3.42Å; A748-V755 HydrophobicContact CB-CG2 3.87Å; A748-I758 HydrophobicContact CB-CD1 3.98Å
749	D	56.3	Low	58.3	Low	134 Å²	134	72.6 Å²	72.6	72%	0.717	35%	0.354	S	S	*	.	H	α-helix	trans	-61.3	-40.1	177	-72.3	-21.4	0	0	0	112.9	F745	F745-D749 WeakPolarHBondContact O-CB 3.4Å; F745-D749 PolarHBondContact O-N 3.24Å
750	K	60.8	Low	58.1	Low	128 Å²	128	67 Å²	67	56%	0.557	32%	0.324	S	S	*	.	H	α-helix	trans	-69.7	-39.7	-178.6	-177.7	-178.4	176.1	-142	0	112.4	K746 L747 A748	K746-K750 VanDerWaalsContact O-CB 3.22Å; K746-K750 WeakPolarHBondContact O-CB 3.33Å; K746-K750 PolarHBondContact O-N 3.41Å; K746-K750 VanDerWaalsContact O-N 3.08Å; L747-K750 PolarHBondContact O-N 2.8Å; A748-K750 PolarHBondContact O-N 3.32Å
751	Y	51.8	Low	58.3	Low	54 Å²	54	65.8 Å²	65.8	21%	0.212	32%	0.317	C	S	.	.	H	α-helix	trans	-109.8	-1	-170.1	-73.3	-83	0	0	0	114.4	E707 L747 A748 I753	E707-Y751 HydrophobicContact CB-CE1 4.2Å; E707-Y751 WeakPolarHBondContact OE2-CE1 3.39Å; E707-Y751 PolarHBondContact OE2-OH 2.79Å; L747-Y751 HydrophobicContact CD2-CD2 3.84Å; L747-Y751 HydrophobicContact CD2-CE2 3.83Å; L747-Y751 PolarHBondContact O-N 3.3Å; A748-Y751 PolarHBondContact O-N 3.49Å; Y751-I753 VanDerWaalsContact CB-CD1 3.42Å; Y751-I753 HydrophobicContact CG-CD1 4.12Å; Y751-I753 PolarHBondContact O-N 2.61Å
752	K	42.9	Very low	58.5	Low	123 Å²	123	61.4 Å²	61.4	54%	0.535	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	26.3	-171.4	-68.9	-175.1	159.4	-168.9	0	114.4	N652 K653 A748	N652-K752 PolarHBondContact O-NZ 3.46Å; K653-K752 PolarHBondContact O-NZ 2.92Å; A748-K752 WeakPolarHBondContact O-CA 3.4Å; A748-K752 PolarHBondContact O-N 2.9Å
753	I	50.1	Low	58.4	Low	31 Å²	31	60 Å²	60	16%	0.159	29%	0.286	C	S	.	.			trans	-78.5	137.4	175	-56	158.3	0	0	0	108.1	L708 A748 Y751 D757 I758	L708-I753 HydrophobicContact CD1-CD1 3.41Å; L708-I753 VanDerWaalsContact CD1-CD1 3.41Å; L708-I753 HydrophobicContact CD1-CG1 4.21Å; A748-I753 WeakPolarHBondContact CA-O 3.44Å; A748-I753 WeakPolarHBondContact CB-O 3.31Å; A748-I753 PolarHBondContact O-N 3.42Å; Y751-I753 VanDerWaalsContact CB-CD1 3.42Å; Y751-I753 HydrophobicContact CG-CD1 4.12Å; Y751-I753 PolarHBondContact O-N 2.61Å; I753-D757 HydrophobicContact CG2-CB 3.65Å; I753-I758 HydrophobicContact CB-CD1 4.34Å; I753-I758 HydrophobicContact CB-CG1 4.39Å; I753-I758 HydrophobicContact CG2-CD1 4.28Å; I753-I758 HydrophobicContact CG2-CG1 3.8Å
754	N	48.8	Very low	58.5	Low	109 Å²	109	60.7 Å²	60.7	58%	0.583	29%	0.288	S	S	*	.			trans	-65.4	145.1	175.9	-64.3	-58.6	0	0	0	110.5	E756 D757 I758	N754-E756 PolarHBondContact O-N 3.13Å; N754-E756 VanDerWaalsContact O-N 3.08Å; N754-D757 WeakPolarHBondContact CB-OD2 3.38Å; N754-D757 PolarHBondContact N-OD2 3.08Å; N754-D757 PolarHBondContact ND2-OD2 2.96Å; N754-D757 PolarHBondContact O-N 3.32Å; N754-D757 VanDerWaalsContact O-N 3.08Å; N754-I758 PolarHBondContact O-N 3.43Å
755	V	52.4	Low	58.7	Low	53 Å²	53	60.1 Å²	60.1	32%	0.321	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-22.5	177.6	-179	0	0	0	0	111.1	F745 A748 Q759	F745-V755 HydrophobicContact CD1-CG1 4.47Å; F745-V755 HydrophobicContact CD1-CG2 3.93Å; F745-V755 HydrophobicContact CE1-CG1 3.95Å; F745-V755 HydrophobicContact CE1-CG2 3.91Å; A748-V755 HydrophobicContact CB-CG2 3.87Å; V755-Q759 VanDerWaalsContact O-CG 3.31Å; V755-Q759 WeakPolarHBondContact O-CG 3.29Å; V755-Q759 PolarHBondContact O-N 2.78Å; V755-Q759 VanDerWaalsContact O-N 3.07Å
756	E	54.8	Low	58.9	Low	63 Å²	63	59 Å²	59	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-75.9	-42.4	173.8	-81	153.7	150.5	0	0	112.8	N754 I758 Q759 D760 R815	N754-E756 PolarHBondContact O-N 3.13Å; N754-E756 VanDerWaalsContact O-N 3.08Å; E756-I758 PolarHBondContact O-N 2.87Å; E756-Q759 CarbonylContact O-C 3.49Å; E756-Q759 WeakPolarHBondContact O-CA 3.28Å; E756-Q759 WeakPolarHBondContact O-CB 3.37Å; E756-Q759 PolarHBondContact O-N 2.87Å; E756-D760 VanDerWaalsContact O-CB 3.26Å; E756-D760 WeakPolarHBondContact O-CB 3.45Å; E756-D760 PolarHBondContact O-N 3.05Å; E756-R815 IonicContact OE1-CZ 3.97Å; E756-R815 IonicContact OE1-NE 3.11Å; E756-R815 PolarHBondContact OE1-NE 3.34Å; E756-R815 IonicContact OE1-NH2 3.61Å; E756-R815 PolarHBondContact OE1-NH2 2.92Å
757	D	60.4	Low	58.7	Low	58 Å²	58	58 Å²	58	31%	0.31	28%	0.283	S	S	.	.	H	α-helix	trans	-57.9	-36.6	172.1	-59.1	-51.4	0	0	0	112.3	I753 N754 D760 W761	I753-D757 HydrophobicContact CG2-CB 3.65Å; N754-D757 WeakPolarHBondContact CB-OD2 3.38Å; N754-D757 PolarHBondContact N-OD2 3.08Å; N754-D757 PolarHBondContact ND2-OD2 2.96Å; N754-D757 PolarHBondContact O-N 3.32Å; N754-D757 VanDerWaalsContact O-N 3.08Å; D757-D760 PolarHBondContact O-N 2.95Å; D757-W761 WeakPolarHBondContact O-CB 3.35Å; D757-W761 PolarHBondContact O-N 3.3Å
758	I	57.1	Low	59.3	Low	4 Å²	4	60.2 Å²	60.2	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-70	-42.5	174.9	-64.8	176.1	0	0	0	111.2	W711 F744 L747 A748 I753 N754 E756 D760 L762	W711-I758 HydrophobicContact CH2-CG2 4.33Å; F744-I758 HydrophobicContact CB-CG2 4.05Å; F744-I758 HydrophobicContact CD1-CG2 3.51Å; F744-I758 HydrophobicContact CE1-CG2 4.27Å; F744-I758 HydrophobicContact CG-CG2 3.99Å; L747-I758 HydrophobicContact CB-CD1 4.32Å; A748-I758 HydrophobicContact CB-CD1 3.98Å; I753-I758 HydrophobicContact CB-CD1 4.34Å; I753-I758 HydrophobicContact CB-CG1 4.39Å; I753-I758 HydrophobicContact CG2-CD1 4.28Å; I753-I758 HydrophobicContact CG2-CG1 3.8Å; N754-I758 PolarHBondContact O-N 3.43Å; E756-I758 PolarHBondContact O-N 2.87Å; I758-D760 PolarHBondContact O-N 3.01Å; I758-L762 HydrophobicContact CG2-CD1 4.36Å; I758-L762 WeakPolarHBondContact O-CB 3.26Å; I758-L762 WeakPolarHBondContact O-CG 3.17Å; I758-L762 PolarHBondContact O-N 2.71Å
759	Q	60.2	Low	59.6	Low	74 Å²	74	60 Å²	60	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-27.3	170.6	-75.7	173.4	47	0	0	112	V755 E756 L762 K763	V755-Q759 VanDerWaalsContact O-CG 3.31Å; V755-Q759 WeakPolarHBondContact O-CG 3.29Å; V755-Q759 PolarHBondContact O-N 2.78Å; V755-Q759 VanDerWaalsContact O-N 3.07Å; E756-Q759 CarbonylContact O-C 3.49Å; E756-Q759 WeakPolarHBondContact O-CA 3.28Å; E756-Q759 WeakPolarHBondContact O-CB 3.37Å; E756-Q759 PolarHBondContact O-N 2.87Å; Q759-L762 PolarHBondContact O-N 2.95Å; Q759-K763 WeakPolarHBondContact O-CG 3.33Å; Q759-K763 PolarHBondContact O-N 3.38Å
760	D	62	Low	59.6	Low	2 Å²	2	56.3 Å²	56.3	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-87.7	-36.5	-173.4	-68.1	-14	0	0	0	112.5	E756 D757 I758 L762 K763 K764 L819 T822 Y823	E756-D760 VanDerWaalsContact O-CB 3.26Å; E756-D760 WeakPolarHBondContact O-CB 3.45Å; E756-D760 PolarHBondContact O-N 3.05Å; D757-D760 PolarHBondContact O-N 2.95Å; I758-D760 PolarHBondContact O-N 3.01Å; D760-L762 VanDerWaalsContact C-N 3.35Å; D760-K763 PolarHBondContact O-N 3.44Å; D760-K763 IonicContact OD1-NZ 3Å; D760-K763 PolarHBondContact OD1-NZ 3.48Å; D760-K764 WeakPolarHBondContact O-CB 3.04Å; D760-K764 VanDerWaalsContact O-CG 3.25Å; D760-K764 WeakPolarHBondContact O-CG 3.18Å; D760-K764 PolarHBondContact O-N 3.17Å; D760-L819 WeakPolarHBondContact OD1-CD2 3.47Å; D760-T822 HydrophobicContact CB-CG2 3.85Å; D760-T822 WeakPolarHBondContact OD2-CG2 3.39Å; D760-Y823 VanDerWaalsContact CA-OH 3.29Å; D760-Y823 WeakPolarHBondContact CA-OH 3.39Å; D760-Y823 HydrophobicContact CB-CD2 4.22Å; D760-Y823 HydrophobicContact CB-CE1 4.42Å; D760-Y823 HydrophobicContact CB-CE2 3.41Å; D760-Y823 VanDerWaalsContact CB-CE2 3.41Å; D760-Y823 WeakPolarHBondContact CB-OH 3.22Å; D760-Y823 VanDerWaalsContact CG-CZ 3.47Å; D760-Y823 VanDerWaalsContact OD1-CE2 3.25Å; D760-Y823 WeakPolarHBondContact OD1-CE2 3.31Å; D760-Y823 VanDerWaalsContact OD1-CZ 3.28Å; D760-Y823 PolarHBondContact OD1-OH 3.26Å; D760-Y823 VanDerWaalsContact OD2-CE2 3.23Å; D760-Y823 WeakPolarHBondContact OD2-CE2 3.49Å
761	W	68.8	Low	59.6	Low	13 Å²	13	54.9 Å²	54.9	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-47.3	159.3	-179.5	82.5	0	0	0	111.3	W711 Q712 E715 R716 L719 D757 K763 K764 E765	W711-W761 HydrophobicContact CH2-CE3 4.08Å; W711-W761 HydrophobicContact CH2-CZ3 4.41Å; Q712-W761 HydrophobicContact CB-CZ2 4.21Å; Q712-W761 HydrophobicContact CG-CD2 4.26Å; Q712-W761 HydrophobicContact CG-CG 4.09Å; Q712-W761 VanDerWaalsContact CG-NE1 3.3Å; Q712-W761 VanDerWaalsContact O-CZ2 3.28Å; Q712-W761 WeakPolarHBondContact O-CZ2 3.46Å; E715-W761 HydrophobicContact CB-CH2 3.58Å; E715-W761 HydrophobicContact CB-CZ2 4.3Å; E715-W761 HydrophobicContact CB-CZ3 4.07Å; E715-W761 HydrophobicContact CG-CH2 3.44Å; E715-W761 VanDerWaalsContact CG-CH2 3.44Å; E715-W761 HydrophobicContact CG-CZ3 3.51Å; R716-W761 HydrophobicContact CG-CZ2 3.78Å; L719-W761 HydrophobicContact CD1-CH2 3.82Å; L719-W761 HydrophobicContact CD1-CZ3 4Å; D757-W761 WeakPolarHBondContact O-CB 3.35Å; D757-W761 PolarHBondContact O-N 3.3Å; W761-K763 PolarHBondContact O-N 3.24Å; W761-K764 PolarHBondContact O-N 2.93Å; W761-E765 HydrophobicContact CH2-CB 4.46Å; W761-E765 HydrophobicContact CH2-CG 4.11Å; W761-E765 HydrophobicContact CZ2-CB 4.41Å; W761-E765 HydrophobicContact CZ2-CG 4.1Å; W761-E765 VanDerWaalsContact O-CB 3.31Å; W761-E765 WeakPolarHBondContact O-CB 3.19Å; W761-E765 PolarHBondContact O-N 3.38Å
762	L	65.1	Low	60.2	Low	17 Å²	17	56.2 Å²	56.2	9%	0.089	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-41.2	177	-81.1	167.5	0	0	0	113.1	L719 F744 I758 Q759 D760 E765 L766	L719-L762 HydrophobicContact CD1-CD2 4.11Å; F744-L762 HydrophobicContact CD1-CD1 4.46Å; F744-L762 HydrophobicContact CD2-CD1 4.34Å; F744-L762 HydrophobicContact CE1-CD1 4.15Å; F744-L762 HydrophobicContact CE1-CD2 4.43Å; F744-L762 HydrophobicContact CE2-CD1 4.03Å; F744-L762 HydrophobicContact CZ-CD1 3.93Å; F744-L762 HydrophobicContact CZ-CD2 4Å; F744-L762 HydrophobicContact CZ-CG 4.42Å; I758-L762 HydrophobicContact CG2-CD1 4.36Å; I758-L762 WeakPolarHBondContact O-CB 3.26Å; I758-L762 WeakPolarHBondContact O-CG 3.17Å; I758-L762 PolarHBondContact O-N 2.71Å; Q759-L762 PolarHBondContact O-N 2.95Å; D760-L762 VanDerWaalsContact C-N 3.35Å; L762-E765 PolarHBondContact O-N 3.07Å; L762-L766 WeakPolarHBondContact O-CB 3.36Å; L762-L766 WeakPolarHBondContact O-CG 3.42Å; L762-L766 PolarHBondContact O-N 3.48Å
763	K	63.2	Low	60.7	Low	81 Å²	81	53.5 Å²	53.5	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-67.7	-42.1	176.4	-73.8	-170.5	-133.3	82.3	0	111.9	Q759 D760 W761 E765 L766 L767 Y823	Q759-K763 WeakPolarHBondContact O-CG 3.33Å; Q759-K763 PolarHBondContact O-N 3.38Å; D760-K763 PolarHBondContact O-N 3.44Å; D760-K763 IonicContact OD1-NZ 3Å; D760-K763 PolarHBondContact OD1-NZ 3.48Å; W761-K763 PolarHBondContact O-N 3.24Å; K763-E765 VanDerWaalsContact C-N 3.26Å; K763-E765 PolarHBondContact O-N 2.84Å; K763-L766 PolarHBondContact O-N 3.15Å; K763-L767 WeakPolarHBondContact O-CG 3.31Å; K763-L767 PolarHBondContact O-N 3.07Å; K763-Y823 HydrophobicContact CB-CE1 3.97Å; K763-Y823 WeakPolarHBondContact CB-OH 2.94Å; K763-Y823 VanDerWaalsContact CD-OH 3.26Å; K763-Y823 WeakPolarHBondContact CD-OH 3.39Å; K763-Y823 PolarHBondContact NZ-OH 3.45Å
764	K	70	Confident	61.1	Low	86 Å²	86	55.7 Å²	55.7	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-37.1	172.1	-70.3	166.9	-172.6	171.6	0	111.7	D760 W761 L767 R768 T822 Y823	D760-K764 WeakPolarHBondContact O-CB 3.04Å; D760-K764 VanDerWaalsContact O-CG 3.25Å; D760-K764 WeakPolarHBondContact O-CG 3.18Å; D760-K764 PolarHBondContact O-N 3.17Å; W761-K764 PolarHBondContact O-N 2.93Å; K764-L767 WeakPolarHBondContact O-CB 3.48Å; K764-L767 PolarHBondContact O-N 3.4Å; K764-R768 PolarHBondContact O-N 2.99Å; K764-T822 PolarHBondContact NZ-O 3.32Å; K764-Y823 HydrophobicContact CD-CD1 4.27Å; K764-Y823 HydrophobicContact CG-CD1 3.79Å; K764-Y823 HydrophobicContact CG-CE1 3.95Å
765	E	66.3	Low	61.3	Low	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-75.8	-37.3	-179.2	-163.4	58.5	-159.5	0	0	113	R716 L719 W761 L762 K763 L767 R768 L769	R716-E765 WeakPolarHBondContact CG-OE1 3.28Å; R716-E765 IonicContact CZ-OE2 2.72Å; R716-E765 VanDerWaalsContact CZ-OE2 3.28Å; R716-E765 VanDerWaalsContact NE-CD 3.33Å; R716-E765 IonicContact NE-OE1 3.68Å; R716-E765 PolarHBondContact NE-OE1 3.46Å; R716-E765 IonicContact NE-OE2 2.66Å; R716-E765 PolarHBondContact NE-OE2 3.21Å; R716-E765 IonicContact NH2-OE2 3.05Å; R716-E765 PolarHBondContact NH2-OE2 2.77Å; L719-E765 HydrophobicContact CD1-CG 3.96Å; W761-E765 HydrophobicContact CH2-CB 4.46Å; W761-E765 HydrophobicContact CH2-CG 4.11Å; W761-E765 HydrophobicContact CZ2-CB 4.41Å; W761-E765 HydrophobicContact CZ2-CG 4.1Å; W761-E765 VanDerWaalsContact O-CB 3.31Å; W761-E765 WeakPolarHBondContact O-CB 3.19Å; W761-E765 PolarHBondContact O-N 3.38Å; L762-E765 PolarHBondContact O-N 3.07Å; K763-E765 VanDerWaalsContact C-N 3.26Å; K763-E765 PolarHBondContact O-N 2.84Å; E765-L767 VanDerWaalsContact C-N 3.31Å; E765-L767 PolarHBondContact O-N 3.32Å; E765-R768 WeakPolarHBondContact O-CB 3.38Å; E765-R768 PolarHBondContact O-N 3.42Å; E765-R768 VanDerWaalsContact O-N 3.15Å; E765-R768 IonicContact OE1-CZ 3.41Å; E765-R768 IonicContact OE1-NE 3.56Å; E765-R768 PolarHBondContact OE1-NE 3.31Å; E765-R768 IonicContact OE1-NH2 2.66Å; E765-R768 PolarHBondContact OE1-NH2 2.86Å; E765-R768 IonicContact OE2-NE 3.11Å; E765-L769 WeakPolarHBondContact O-CG 3.39Å; E765-L769 PolarHBondContact O-N 3.27Å
766	L	62.4	Low	61.3	Low	68 Å²	68	55.4 Å²	55.4	36%	0.356	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-38.1	169.3	-74.4	165.9	0	0	0	111.7	L762 K763 L769 Q770	L762-L766 WeakPolarHBondContact O-CB 3.36Å; L762-L766 WeakPolarHBondContact O-CG 3.42Å; L762-L766 PolarHBondContact O-N 3.48Å; K763-L766 PolarHBondContact O-N 3.15Å; L766-L769 PolarHBondContact O-N 2.97Å; L766-Q770 WeakPolarHBondContact O-CB 3.28Å; L766-Q770 PolarHBondContact O-N 2.86Å
767	L	62.1	Low	60.7	Low	98 Å²	98	55.2 Å²	55.2	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-36.6	170.9	-73.6	168.7	0	0	0	112.1	K763 K764 E765 Q770 S771	K763-L767 WeakPolarHBondContact O-CG 3.31Å; K763-L767 PolarHBondContact O-N 3.07Å; K764-L767 WeakPolarHBondContact O-CB 3.48Å; K764-L767 PolarHBondContact O-N 3.4Å; E765-L767 VanDerWaalsContact C-N 3.31Å; E765-L767 PolarHBondContact O-N 3.32Å; L767-Q770 WeakPolarHBondContact O-CB 3.47Å; L767-Q770 PolarHBondContact O-N 2.92Å; L767-S771 PolarHBondContact O-N 3.5Å
768	R	71.8	Confident	60.3	Low	60 Å²	60	58.2 Å²	58.2	23%	0.226	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-49	171.1	-171.2	-179.7	71.6	106.3	-5	111.2	K764 E765 Q770 S771 E772	K764-R768 PolarHBondContact O-N 2.99Å; E765-R768 WeakPolarHBondContact O-CB 3.38Å; E765-R768 PolarHBondContact O-N 3.42Å; E765-R768 VanDerWaalsContact O-N 3.15Å; E765-R768 IonicContact OE1-CZ 3.41Å; E765-R768 IonicContact OE1-NE 3.56Å; E765-R768 PolarHBondContact OE1-NE 3.31Å; E765-R768 IonicContact OE1-NH2 2.66Å; E765-R768 PolarHBondContact OE1-NH2 2.86Å; E765-R768 IonicContact OE2-NE 3.11Å; R768-Q770 VanDerWaalsContact C-N 3.25Å; R768-Q770 PolarHBondContact O-N 3.39Å; R768-S771 WeakPolarHBondContact CA-OG 3.27Å; R768-S771 CarbonylContact O-C 3.56Å; R768-S771 WeakPolarHBondContact O-CA 3.48Å; R768-S771 PolarHBondContact O-N 2.88Å; R768-S771 PolarHBondContact O-OG 2.7Å; R768-E772 HydrophobicContact CG-CG 4.43Å; R768-E772 IonicContact CZ-OE1 2.73Å; R768-E772 IonicContact CZ-OE2 3.26Å; R768-E772 IonicContact NE-OE1 2.7Å; R768-E772 IonicContact NH1-OE1 3.73Å; R768-E772 PolarHBondContact NH1-OE1 3.39Å; R768-E772 IonicContact NH1-OE2 2.71Å; R768-E772 PolarHBondContact NH1-OE2 2.87Å; R768-E772 PolarHBondContact O-N 2.91Å
769	L	65.2	Low	60.1	Low	4 Å²	4	60.7 Å²	60.7	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-29.3	178.5	-67.6	167.9	0	0	0	112.9	Q720 V723 E765 L766 L774 V775	Q720-L769 HydrophobicContact CG-CD2 4.31Å; V723-L769 HydrophobicContact CG2-CD1 4.45Å; E765-L769 WeakPolarHBondContact O-CG 3.39Å; E765-L769 PolarHBondContact O-N 3.27Å; L766-L769 PolarHBondContact O-N 2.97Å; L769-L774 HydrophobicContact CD2-CD1 3.87Å; L769-L774 PolarHBondContact O-N 2.84Å; L769-V775 HydrophobicContact CB-CG2 4.13Å; L769-V775 PolarHBondContact O-N 3.12Å
770	Q	56.2	Low	59.3	Low	55 Å²	55	59.3 Å²	59.3	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-68.1	-44.1	167.5	-176.8	-175.4	-7.8	0	0	111.8	L766 L767 R768 E772 G773	L766-Q770 WeakPolarHBondContact O-CB 3.28Å; L766-Q770 PolarHBondContact O-N 2.86Å; L767-Q770 WeakPolarHBondContact O-CB 3.47Å; L767-Q770 PolarHBondContact O-N 2.92Å; R768-Q770 VanDerWaalsContact C-N 3.25Å; R768-Q770 PolarHBondContact O-N 3.39Å; Q770-E772 VanDerWaalsContact C-N 3.32Å; Q770-E772 PolarHBondContact O-N 3.26Å; Q770-G773 PolarHBondContact O-N 3.08Å; Q770-G773 VanDerWaalsContact O-N 3.12Å
771	S	59.3	Low	58.9	Low	98 Å²	98	66 Å²	66	69%	0.685	35%	0.35	S	S	*	.	H	α-helix	trans	-67.2	-30.2	178	75.8	0	0	0	0	113.6	L767 R768 G773	L767-S771 PolarHBondContact O-N 3.5Å; R768-S771 WeakPolarHBondContact CA-OG 3.27Å; R768-S771 CarbonylContact O-C 3.56Å; R768-S771 WeakPolarHBondContact O-CA 3.48Å; R768-S771 PolarHBondContact O-N 2.88Å; R768-S771 PolarHBondContact O-OG 2.7Å; S771-G773 PolarHBondContact O-N 3.38Å
772	E	64.7	Low	58.4	Low	83 Å²	83	70.9 Å²	70.9	39%	0.388	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	3.1	173.3	-69.8	-179.9	-176.2	0	0	113.1	Q720 R768 Q770 L774	Q720-E772 PolarHBondContact NE2-OE2 2.83Å; R768-E772 HydrophobicContact CG-CG 4.43Å; R768-E772 IonicContact CZ-OE1 2.73Å; R768-E772 IonicContact CZ-OE2 3.26Å; R768-E772 IonicContact NE-OE1 2.7Å; R768-E772 IonicContact NH1-OE1 3.73Å; R768-E772 PolarHBondContact NH1-OE1 3.39Å; R768-E772 IonicContact NH1-OE2 2.71Å; R768-E772 PolarHBondContact NH1-OE2 2.87Å; R768-E772 PolarHBondContact O-N 2.91Å; Q770-E772 VanDerWaalsContact C-N 3.32Å; Q770-E772 PolarHBondContact O-N 3.26Å; E772-L774 HydrophobicContact CB-CD1 4.33Å; E772-L774 HydrophobicContact CB-CG 4.44Å; E772-L774 PolarHBondContact O-N 2.76Å
773	G	53.3	Low	57.6	Low	65 Å²	65	75.2 Å²	75.2	67%	0.67	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	7.9	176.2	0	0	0	0	0	115.1	Q770 S771	Q770-G773 PolarHBondContact O-N 3.08Å; Q770-G773 VanDerWaalsContact O-N 3.12Å; S771-G773 PolarHBondContact O-N 3.38Å
774	L	58.6	Low	56.7	Low	78 Å²	78	75.5 Å²	75.5	41%	0.408	39%	0.391	S	S	.	.	S	Bend	trans	-81.1	-20	-179.4	-64.7	170.1	0	0	0	112.7	Q720 V723 L769 E772	Q720-L774 HydrophobicContact CG-CD1 4.49Å; V723-L774 HydrophobicContact CG1-CB 3.8Å; V723-L774 HydrophobicContact CG1-CD1 4.06Å; V723-L774 HydrophobicContact CG1-CD2 4.29Å; V723-L774 HydrophobicContact CG1-CG 4.27Å; L769-L774 HydrophobicContact CD2-CD1 3.87Å; L769-L774 PolarHBondContact O-N 2.84Å; E772-L774 HydrophobicContact CB-CD1 4.33Å; E772-L774 HydrophobicContact CB-CG 4.44Å; E772-L774 PolarHBondContact O-N 2.76Å
775	V	52.7	Low	56.5	Low	22 Å²	22	77.4 Å²	77.4	13%	0.133	40%	0.402	C	S	.	.	S	Bend	trans	-119.2	128.3	173.4	-177.5	0	0	0	0	109.7	L769 A777 L780	L769-V775 HydrophobicContact CB-CG2 4.13Å; L769-V775 PolarHBondContact O-N 3.12Å; V775-A777 PolarHBondContact O-N 3.16Å; V775-L780 HydrophobicContact CG1-CD1 4.49Å
776	K	52.2	Low	56.5	Low	134 Å²	134	83.5 Å²	83.5	58%	0.583	43%	0.43	S	S	*	.			trans	-66.7	122.6	179.8	-81.2	-169.9	160.5	-140.8	0	111.9	E778 T779 L780	K776-E778 IonicContact NZ-OE2 3.28Å; K776-E778 PolarHBondContact NZ-OE2 3.08Å; K776-E778 PolarHBondContact O-N 3.49Å; K776-T779 WeakPolarHBondContact CB-OG1 3.18Å; K776-T779 PolarHBondContact O-N 3.46Å; K776-T779 PolarHBondContact O-OG1 3.04Å; K776-L780 PolarHBondContact O-N 3.15Å
777	A	43.9	Very low	55.5	Low	58 Å²	58	84.6 Å²	84.6	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-60.7	-29.5	173.3	0	0	0	0	0	113	V775 L780 K781	V775-A777 PolarHBondContact O-N 3.16Å; A777-L780 PolarHBondContact O-N 2.92Å; A777-K781 WeakPolarHBondContact O-CB 3.33Å; A777-K781 PolarHBondContact O-N 3.01Å
778	E	51.1	Low	54.7	Low	122 Å²	122	88.5 Å²	88.5	57%	0.57	44%	0.441	S	S	*	.	H	α-helix	trans	-58	-55.5	176.8	-60	171.3	136.6	0	0	111.2	K776 L780 K781 E782	K776-E778 IonicContact NZ-OE2 3.28Å; K776-E778 PolarHBondContact NZ-OE2 3.08Å; K776-E778 PolarHBondContact O-N 3.49Å; E778-L780 VanDerWaalsContact C-N 3.29Å; E778-L780 PolarHBondContact O-N 3.04Å; E778-K781 WeakPolarHBondContact O-CB 3.36Å; E778-K781 PolarHBondContact O-N 3.37Å; E778-K781 VanDerWaalsContact O-N 3.1Å; E778-E782 PolarHBondContact O-N 2.9Å
779	T	53.1	Low	54.4	Low	55 Å²	55	88.5 Å²	88.5	34%	0.337	45%	0.454	S	S	.	.	H	α-helix	trans	-64.7	-30.5	-179.3	38.7	0	0	0	0	113.2	K776 W783	K776-T779 WeakPolarHBondContact CB-OG1 3.18Å; K776-T779 PolarHBondContact O-N 3.46Å; K776-T779 PolarHBondContact O-OG1 3.04Å; T779-W783 VanDerWaalsContact O-CB 3.22Å; T779-W783 WeakPolarHBondContact O-CB 3.24Å; T779-W783 PolarHBondContact O-N 3.05Å
780	L	42.6	Very low	53.8	Low	45 Å²	45	94.4 Å²	94.4	24%	0.236	48%	0.482	C	S	.	.	H	α-helix	trans	-75.2	-30.3	176.8	-148.7	149.9	0	0	0	111.2	V775 K776 A777 E778 Q784	V775-L780 HydrophobicContact CG1-CD1 4.49Å; K776-L780 PolarHBondContact O-N 3.15Å; A777-L780 PolarHBondContact O-N 2.92Å; E778-L780 VanDerWaalsContact C-N 3.29Å; E778-L780 PolarHBondContact O-N 3.04Å; L780-Q784 HydrophobicContact CD2-CG 4.44Å; L780-Q784 WeakPolarHBondContact O-CG 3.39Å; L780-Q784 PolarHBondContact O-N 2.89Å
781	K	54	Low	53	Low	143 Å²	143	95.7 Å²	95.7	62%	0.622	49%	0.489	S	S	*	.	H	α-helix	trans	-74.5	-39.6	173.6	-152.4	173.4	-169	177.2	0	112.1	A777 E778 Q785	A777-K781 WeakPolarHBondContact O-CB 3.33Å; A777-K781 PolarHBondContact O-N 3.01Å; E778-K781 WeakPolarHBondContact O-CB 3.36Å; E778-K781 PolarHBondContact O-N 3.37Å; E778-K781 VanDerWaalsContact O-N 3.1Å; K781-Q785 WeakPolarHBondContact O-CB 3.25Å; K781-Q785 WeakPolarHBondContact O-CG 3.26Å; K781-Q785 PolarHBondContact O-N 2.72Å
782	E	58.7	Low	52.4	Low	116 Å²	116	93.7 Å²	93.7	54%	0.542	48%	0.475	S	S	.	.	H	α-helix	trans	-64	-42.2	170.1	-71.9	-174.8	132.9	0	0	111.5	E778 Q785 Q786	E778-E782 PolarHBondContact O-N 2.9Å; E782-Q785 CarbonylContact O-C 3.56Å; E782-Q785 PolarHBondContact O-N 2.74Å; E782-Q786 WeakPolarHBondContact O-CB 3.42Å; E782-Q786 WeakPolarHBondContact O-CG 3.25Å; E782-Q786 PolarHBondContact O-N 2.91Å
783	W	49.2	Very low	52.2	Low	107 Å²	107	94.2 Å²	94.2	41%	0.405	48%	0.48	S	S	.	.	H	α-helix	trans	-60.2	-48.6	174.4	177.9	86.7	0	0	0	111.9	T779 Q785 Q786 E787	T779-W783 VanDerWaalsContact O-CB 3.22Å; T779-W783 WeakPolarHBondContact O-CB 3.24Å; T779-W783 PolarHBondContact O-N 3.05Å; W783-Q785 VanDerWaalsContact C-N 3.29Å; W783-Q785 PolarHBondContact O-N 2.72Å; W783-Q786 PolarHBondContact O-N 3.06Å; W783-Q786 VanDerWaalsContact O-N 3.14Å; W783-E787 WeakPolarHBondContact CH2-OE2 3.19Å; W783-E787 HydrophobicContact CZ2-CG 4.2Å; W783-E787 PolarHBondContact O-N 2.67Å
784	Q	43.5	Very low	51.8	Low	87 Å²	87	94.2 Å²	94.2	41%	0.407	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-35	173.7	-77.4	-174.4	-10	0	0	113	L780 R788	L780-Q784 HydrophobicContact CD2-CG 4.44Å; L780-Q784 WeakPolarHBondContact O-CG 3.39Å; L780-Q784 PolarHBondContact O-N 2.89Å; Q784-R788 VanDerWaalsContact O-CB 3.29Å; Q784-R788 WeakPolarHBondContact O-CB 3.41Å; Q784-R788 WeakPolarHBondContact O-CD 3.36Å; Q784-R788 WeakPolarHBondContact O-CG 3.38Å; Q784-R788 PolarHBondContact O-N 3.03Å
785	Q	64.9	Low	51	Low	127 Å²	127	93 Å²	93	59%	0.593	46%	0.46	S	S	*	.	H	α-helix	trans	-71.6	-35.4	174.5	-76.8	-178.1	-15.2	0	0	112.3	K781 E782 W783 A789	K781-Q785 WeakPolarHBondContact O-CB 3.25Å; K781-Q785 WeakPolarHBondContact O-CG 3.26Å; K781-Q785 PolarHBondContact O-N 2.72Å; E782-Q785 CarbonylContact O-C 3.56Å; E782-Q785 PolarHBondContact O-N 2.74Å; W783-Q785 VanDerWaalsContact C-N 3.29Å; W783-Q785 PolarHBondContact O-N 2.72Å; Q785-A789 WeakPolarHBondContact O-CB 3.4Å; Q785-A789 PolarHBondContact O-N 3.43Å
786	Q	66.7	Low	50.8	Low	128 Å²	128	98.6 Å²	98.6	60%	0.598	49%	0.485	S	S	*	.	H	α-helix	trans	-71.8	-39.7	174.8	-74.9	-172.6	3.5	0	0	112.4	E782 W783 A789 Q790	E782-Q786 WeakPolarHBondContact O-CB 3.42Å; E782-Q786 WeakPolarHBondContact O-CG 3.25Å; E782-Q786 PolarHBondContact O-N 2.91Å; W783-Q786 PolarHBondContact O-N 3.06Å; W783-Q786 VanDerWaalsContact O-N 3.14Å; Q786-A789 PolarHBondContact O-N 3.09Å; Q786-Q790 WeakPolarHBondContact O-CB 3.27Å; Q786-Q790 WeakPolarHBondContact O-CG 3.45Å; Q786-Q790 PolarHBondContact O-N 3.42Å
787	E	42.5	Very low	50.9	Low	92 Å²	92	96.3 Å²	96.3	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-61.9	-49.7	170.1	-81.1	-150.6	136.8	0	0	111	W783 A789 Q790 I791	W783-E787 WeakPolarHBondContact CH2-OE2 3.19Å; W783-E787 HydrophobicContact CZ2-CG 4.2Å; W783-E787 PolarHBondContact O-N 2.67Å; E787-A789 VanDerWaalsContact C-N 3.26Å; E787-A789 PolarHBondContact O-N 2.9Å; E787-Q790 PolarHBondContact O-N 2.92Å; E787-Q790 VanDerWaalsContact O-N 3.11Å; E787-I791 WeakPolarHBondContact O-CB 3.44Å; E787-I791 VanDerWaalsContact O-CG1 3.26Å; E787-I791 WeakPolarHBondContact O-CG1 3.37Å; E787-I791 PolarHBondContact O-N 2.88Å
788	R	44.6	Very low	50.7	Low	180 Å²	180	99.5 Å²	99.5	68%	0.679	49%	0.485	S	S	*	.	H	α-helix	trans	-59.4	-37.1	176.8	-72.7	172	-175.8	-148.3	0.4	112.1	Q784 S792	Q784-R788 VanDerWaalsContact O-CB 3.29Å; Q784-R788 WeakPolarHBondContact O-CB 3.41Å; Q784-R788 WeakPolarHBondContact O-CD 3.36Å; Q784-R788 WeakPolarHBondContact O-CG 3.38Å; Q784-R788 PolarHBondContact O-N 3.03Å; R788-S792 WeakPolarHBondContact O-CB 3.38Å; R788-S792 PolarHBondContact O-N 3.39Å
789	A	64.7	Low	50.1	Low	60 Å²	60	99.5 Å²	99.5	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-68.8	-41.4	173.9	0	0	0	0	0	112.5	Q785 Q786 E787 L793	Q785-A789 WeakPolarHBondContact O-CB 3.4Å; Q785-A789 PolarHBondContact O-N 3.43Å; Q786-A789 PolarHBondContact O-N 3.09Å; E787-A789 VanDerWaalsContact C-N 3.26Å; E787-A789 PolarHBondContact O-N 2.9Å; A789-L793 WeakPolarHBondContact O-CB 3.21Å; A789-L793 PolarHBondContact O-N 2.86Å
790	Q	53.4	Low	49.7	Very low	127 Å²	127	101 Å²	101	59%	0.593	48%	0.483	S	S	*	.	H	α-helix	trans	-67.6	-41.3	175.6	-76.3	-169.2	17.5	0	0	112.2	Q786 E787 L793 L794	Q786-Q790 WeakPolarHBondContact O-CB 3.27Å; Q786-Q790 WeakPolarHBondContact O-CG 3.45Å; Q786-Q790 PolarHBondContact O-N 3.42Å; E787-Q790 PolarHBondContact O-N 2.92Å; E787-Q790 VanDerWaalsContact O-N 3.11Å; Q790-L793 PolarHBondContact O-N 3.32Å; Q790-L794 VanDerWaalsContact O-CB 3.3Å; Q790-L794 WeakPolarHBondContact O-CB 3.47Å; Q790-L794 WeakPolarHBondContact O-CG 3.4Å; Q790-L794 PolarHBondContact O-N 2.82Å
791	I	39.8	Very low	49.9	Very low	82 Å²	82	101.5 Å²	101.5	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-48.4	175.3	-67.9	164.8	0	0	0	109.5	E787 L793 L794 V795	E787-I791 WeakPolarHBondContact O-CB 3.44Å; E787-I791 VanDerWaalsContact O-CG1 3.26Å; E787-I791 WeakPolarHBondContact O-CG1 3.37Å; E787-I791 PolarHBondContact O-N 2.88Å; I791-L793 VanDerWaalsContact C-N 3.34Å; I791-L793 PolarHBondContact O-N 3.13Å; I791-L794 PolarHBondContact O-N 3.27Å; I791-V795 WeakPolarHBondContact O-CG2 3.49Å; I791-V795 PolarHBondContact O-N 2.89Å
792	S	46.6	Very low	49.4	Very low	56 Å²	56	99.9 Å²	99.9	39%	0.392	49%	0.489	S	S	.	.	H	α-helix	trans	-56.9	-44.9	173.6	-179.1	0	0	0	0	112.2	R788 L794 V795 Q796	R788-S792 WeakPolarHBondContact O-CB 3.38Å; R788-S792 PolarHBondContact O-N 3.39Å; S792-L794 PolarHBondContact O-N 3.27Å; S792-V795 PolarHBondContact O-N 3.02Å; S792-Q796 WeakPolarHBondContact O-CB 3.45Å; S792-Q796 VanDerWaalsContact O-CG 3.31Å; S792-Q796 WeakPolarHBondContact O-CG 3.2Å; S792-Q796 PolarHBondContact O-N 2.62Å
793	L	61.2	Low	48.9	Very low	94 Å²	94	98.7 Å²	98.7	49%	0.492	49%	0.486	S	S	.	.	H	α-helix	trans	-68.2	-32.9	178	-163.6	103.6	0	0	0	112.8	A789 Q790 I791 Q797	A789-L793 WeakPolarHBondContact O-CB 3.21Å; A789-L793 PolarHBondContact O-N 2.86Å; Q790-L793 PolarHBondContact O-N 3.32Å; I791-L793 VanDerWaalsContact C-N 3.34Å; I791-L793 PolarHBondContact O-N 3.13Å; L793-Q797 VanDerWaalsContact CD2-NE2 3.34Å; L793-Q797 VanDerWaalsContact O-CB 3.31Å; L793-Q797 WeakPolarHBondContact O-CB 3.45Å; L793-Q797 WeakPolarHBondContact O-CG 3.26Å; L793-Q797 PolarHBondContact O-N 3.17Å; L793-Q797 VanDerWaalsContact O-N 3.14Å
794	L	43.4	Very low	49	Very low	66 Å²	66	95.8 Å²	95.8	35%	0.346	48%	0.477	S	S	.	.	H	α-helix	trans	-72.4	-35.9	175.2	-77.1	166.2	0	0	0	112	Q790 I791 S792	Q790-L794 VanDerWaalsContact O-CB 3.3Å; Q790-L794 WeakPolarHBondContact O-CB 3.47Å; Q790-L794 WeakPolarHBondContact O-CG 3.4Å; Q790-L794 PolarHBondContact O-N 2.82Å; I791-L794 PolarHBondContact O-N 3.27Å; S792-L794 PolarHBondContact O-N 3.27Å
795	V	43.5	Very low	49.3	Very low	51 Å²	51	94.4 Å²	94.4	31%	0.309	47%	0.469	S	S	.	.	H	α-helix	trans	-69.4	-50.2	172.8	170.9	0	0	0	0	110.4	I791 S792 Q797 N798	I791-V795 WeakPolarHBondContact O-CG2 3.49Å; I791-V795 PolarHBondContact O-N 2.89Å; S792-V795 PolarHBondContact O-N 3.02Å; V795-Q797 PolarHBondContact O-N 2.89Å; V795-Q797 VanDerWaalsContact O-N 3.1Å; V795-N798 PolarHBondContact O-N 2.85Å
796	Q	48	Very low	48.6	Very low	140 Å²	140	93.7 Å²	93.7	65%	0.654	47%	0.466	S	S	*	.	H	α-helix	trans	-61.2	-20.2	176.9	-73.2	-178.8	1.2	0	0	113.9	S792 N798	S792-Q796 WeakPolarHBondContact O-CB 3.45Å; S792-Q796 VanDerWaalsContact O-CG 3.31Å; S792-Q796 WeakPolarHBondContact O-CG 3.2Å; S792-Q796 PolarHBondContact O-N 2.62Å; Q796-N798 VanDerWaalsContact C-N 3.33Å; Q796-N798 PolarHBondContact O-N 2.89Å
797	Q	53.8	Low	48.2	Very low	87 Å²	87	93.4 Å²	93.4	41%	0.407	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.7	178.2	-84.3	-178.2	31.4	0	0	115.4	L793 V795 K799	L793-Q797 VanDerWaalsContact CD2-NE2 3.34Å; L793-Q797 VanDerWaalsContact O-CB 3.31Å; L793-Q797 WeakPolarHBondContact O-CB 3.45Å; L793-Q797 WeakPolarHBondContact O-CG 3.26Å; L793-Q797 PolarHBondContact O-N 3.17Å; L793-Q797 VanDerWaalsContact O-N 3.14Å; V795-Q797 PolarHBondContact O-N 2.89Å; V795-Q797 VanDerWaalsContact O-N 3.1Å; Q797-K799 VanDerWaalsContact C-N 3.35Å; Q797-K799 HydrophobicContact CB-CD 4.31Å; Q797-K799 PolarHBondContact O-N 3.13Å
798	N	39.1	Very low	48.9	Very low	124 Å²	124	92.9 Å²	92.9	66%	0.663	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	47.1	175.3	-72.4	-61.9	0	0	0	113.7	V795 Q796	V795-N798 PolarHBondContact O-N 2.85Å; Q796-N798 VanDerWaalsContact C-N 3.33Å; Q796-N798 PolarHBondContact O-N 2.89Å
799	K	39.5	Very low	49.4	Very low	122 Å²	122	86.8 Å²	86.8	53%	0.53	44%	0.436	S	S	.	.			trans	-103.7	-7.3	-177.5	-82.8	173.2	178.2	165.2	0	115.7	Q797	Q797-K799 VanDerWaalsContact C-N 3.35Å; Q797-K799 HydrophobicContact CB-CD 4.31Å; Q797-K799 PolarHBondContact O-N 3.13Å
800	Y	43.7	Very low	48.9	Very low	86 Å²	86	89.7 Å²	89.7	34%	0.337	44%	0.442	S	S	.	.	S	Bend	trans	-110.2	136.7	174.3	-59	-76.7	0	0	0	108.3	E804	Y800-E804 HydrophobicContact CD1-CB 4.19Å; Y800-E804 WeakPolarHBondContact CD1-OE2 3.44Å
801	S	46.8	Very low	49.5	Very low	56 Å²	56	86.1 Å²	86.1	39%	0.392	43%	0.434	S	S	.	.			trans	-71.7	170.1	164.8	57.7	0	0	0	0	110.4	D803 E804 F805	S801-D803 VanDerWaalsContact C-N 3.33Å; S801-E804 PolarHBondContact O-N 3.11Å; S801-E804 VanDerWaalsContact O-N 3.15Å; S801-E804 WeakPolarHBondContact OG-CB 3.33Å; S801-E804 WeakPolarHBondContact OG-CG 3.33Å; S801-E804 PolarHBondContact OG-N 3.4Å; S801-E804 VanDerWaalsContact OG-N 3.12Å; S801-F805 PolarHBondContact O-N 3.46Å
802	L	43.9	Very low	50.3	Low	110 Å²	110	85.4 Å²	85.4	58%	0.576	43%	0.431	S	S	*	.	H	α-helix	trans	-60.8	-44.5	174.2	-160.5	150.4	0	0	0	110.3	E804 F805 E806	L802-E804 VanDerWaalsContact C-N 3.33Å; L802-E804 PolarHBondContact O-N 2.81Å; L802-F805 CarbonylContact O-C 3.36Å; L802-F805 PolarHBondContact O-N 3.1Å; L802-F805 VanDerWaalsContact O-N 3.12Å; L802-E806 HydrophobicContact CD2-CG 3.99Å; L802-E806 PolarHBondContact O-N 2.79Å
803	D	48	Very low	50.8	Low	90 Å²	90	88.4 Å²	88.4	48%	0.481	43%	0.434	S	S	.	.	H	α-helix	trans	-53.8	-42.2	170	-58.6	38.2	0	0	0	113.8	S801 R807	S801-D803 VanDerWaalsContact C-N 3.33Å; D803-R807 WeakPolarHBondContact O-CB 3.23Å; D803-R807 WeakPolarHBondContact O-CG 3.31Å; D803-R807 PolarHBondContact O-N 3.24Å
804	E	52.3	Low	50.7	Low	47 Å²	47	86.3 Å²	86.3	22%	0.22	43%	0.43	C	S	.	.	H	α-helix	trans	-72.5	-34.7	178.7	-78.9	179.3	-148.7	0	0	111.3	Y800 S801 L802 K808 K1850	Y800-E804 HydrophobicContact CD1-CB 4.19Å; Y800-E804 WeakPolarHBondContact CD1-OE2 3.44Å; S801-E804 PolarHBondContact O-N 3.11Å; S801-E804 VanDerWaalsContact O-N 3.15Å; S801-E804 WeakPolarHBondContact OG-CB 3.33Å; S801-E804 WeakPolarHBondContact OG-CG 3.33Å; S801-E804 PolarHBondContact OG-N 3.4Å; S801-E804 VanDerWaalsContact OG-N 3.12Å; L802-E804 VanDerWaalsContact C-N 3.33Å; L802-E804 PolarHBondContact O-N 2.81Å; E804-K808 WeakPolarHBondContact O-CB 3.49Å; E804-K808 PolarHBondContact O-N 2.68Å; E804-K1850 WeakPolarHBondContact OE1-CD 3.35Å; E804-K1850 WeakPolarHBondContact OE1-CE 3.41Å; E804-K1850 IonicContact OE1-NZ 2.71Å; E804-K1850 PolarHBondContact OE1-NZ 3.48Å; E804-K1850 IonicContact OE2-NZ 2.96Å; E804-K1850 PolarHBondContact OE2-NZ 3.1Å
805	F	48.8	Very low	51.5	Low	57 Å²	57	88.5 Å²	88.5	25%	0.25	43%	0.434	C	S	.	.	H	α-helix	trans	-67.9	-40.8	172	-171.9	-93	0	0	0	111.4	S801 L802 K808 M809 L841	S801-F805 PolarHBondContact O-N 3.46Å; L802-F805 CarbonylContact O-C 3.36Å; L802-F805 PolarHBondContact O-N 3.1Å; L802-F805 VanDerWaalsContact O-N 3.12Å; F805-K808 CarbonylContact O-C 3.45Å; F805-K808 PolarHBondContact O-N 2.92Å; F805-M809 HydrophobicContact CD1-CG 3.86Å; F805-M809 HydrophobicContact CE1-CG 3.28Å; F805-M809 HydrophobicContact CE1-SD 4.21Å; F805-M809 HydrophobicContact CZ-CG 3.72Å; F805-M809 HydrophobicContact CZ-SD 4.38Å; F805-M809 VanDerWaalsContact O-CB 3.29Å; F805-M809 WeakPolarHBondContact O-CB 3.38Å; F805-M809 PolarHBondContact O-N 3.09Å; F805-L841 HydrophobicContact CD1-CD1 3.98Å; F805-L841 HydrophobicContact CD2-CD1 4.42Å; F805-L841 HydrophobicContact CE1-CD1 3.27Å; F805-L841 HydrophobicContact CE2-CD1 3.81Å; F805-L841 HydrophobicContact CZ-CD1 3.19Å
806	E	51	Low	51.9	Low	112 Å²	112	88.1 Å²	88.1	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-65.4	-46.7	174.4	-77.3	-170.6	165.5	0	0	112.3	L802 K808 M809 L810	L802-E806 HydrophobicContact CD2-CG 3.99Å; L802-E806 PolarHBondContact O-N 2.79Å; E806-K808 PolarHBondContact O-N 3.27Å; E806-M809 WeakPolarHBondContact O-CB 3.49Å; E806-M809 PolarHBondContact O-N 3.17Å; E806-L810 WeakPolarHBondContact O-CB 3.25Å; E806-L810 VanDerWaalsContact O-CG 3.3Å; E806-L810 WeakPolarHBondContact O-CG 3.23Å; E806-L810 PolarHBondContact O-N 2.65Å
807	R	57.5	Low	52.3	Low	122 Å²	122	86.7 Å²	86.7	46%	0.46	42%	0.423	S	S	.	.	H	α-helix	trans	-59.9	-36.9	174.3	-72.5	171.2	-157.1	-165.2	7.9	111.4	D803 A811 E1854	D803-R807 WeakPolarHBondContact O-CB 3.23Å; D803-R807 WeakPolarHBondContact O-CG 3.31Å; D803-R807 PolarHBondContact O-N 3.24Å; R807-A811 VanDerWaalsContact O-CB 3.22Å; R807-A811 WeakPolarHBondContact O-CB 3.47Å; R807-A811 PolarHBondContact O-N 2.71Å; R807-E1854 IonicContact CZ-OE1 2.77Å; R807-E1854 IonicContact NH1-OE1 3.37Å; R807-E1854 PolarHBondContact NH1-OE1 2.98Å; R807-E1854 IonicContact NH1-OE2 3.77Å; R807-E1854 PolarHBondContact NH1-OE2 3.38Å
808	K	58.4	Low	52.5	Low	82 Å²	82	87 Å²	87	36%	0.357	43%	0.425	S	S	.	.	H	α-helix	trans	-75.4	-38.2	177.3	-162.2	178.9	-178.7	-166.4	0	111.9	E804 F805 E806 A811 D812	E804-K808 WeakPolarHBondContact O-CB 3.49Å; E804-K808 PolarHBondContact O-N 2.68Å; F805-K808 CarbonylContact O-C 3.45Å; F805-K808 PolarHBondContact O-N 2.92Å; E806-K808 PolarHBondContact O-N 3.27Å; K808-A811 PolarHBondContact O-N 2.73Å; K808-D812 WeakPolarHBondContact CG-OD2 3.18Å; K808-D812 WeakPolarHBondContact O-CA 3.49Å; K808-D812 WeakPolarHBondContact O-CB 3.49Å; K808-D812 VanDerWaalsContact O-CG 3.24Å; K808-D812 PolarHBondContact O-N 3.18Å
809	M	53.6	Low	53	Low	51 Å²	51	83.5 Å²	83.5	25%	0.251	41%	0.406	S	S	.	.	H	α-helix	trans	-59.8	-42.5	169	-94.6	-83.9	-79.3	0	0	111.7	F805 E806 R813 I834	F805-M809 HydrophobicContact CD1-CG 3.86Å; F805-M809 HydrophobicContact CE1-CG 3.28Å; F805-M809 HydrophobicContact CE1-SD 4.21Å; F805-M809 HydrophobicContact CZ-CG 3.72Å; F805-M809 HydrophobicContact CZ-SD 4.38Å; F805-M809 VanDerWaalsContact O-CB 3.29Å; F805-M809 WeakPolarHBondContact O-CB 3.38Å; F805-M809 PolarHBondContact O-N 3.09Å; E806-M809 WeakPolarHBondContact O-CB 3.49Å; E806-M809 PolarHBondContact O-N 3.17Å; M809-R813 WeakPolarHBondContact O-CA 3.26Å; M809-R813 WeakPolarHBondContact O-CB 3.13Å; M809-R813 PolarHBondContact O-N 3.44Å; M809-I834 HydrophobicContact CE-CG2 3.97Å; M809-I834 HydrophobicContact SD-CG2 4.18Å
810	L	55.7	Low	53.4	Low	121 Å²	121	78.7 Å²	78.7	63%	0.634	39%	0.387	S	S	*	.	H	α-helix	trans	-72.6	-37	178.4	-70.8	169.9	0	0	0	111.8	E806 A814	E806-L810 WeakPolarHBondContact O-CB 3.25Å; E806-L810 VanDerWaalsContact O-CG 3.3Å; E806-L810 WeakPolarHBondContact O-CG 3.23Å; E806-L810 PolarHBondContact O-N 2.65Å; L810-A814 WeakPolarHBondContact O-CB 3.37Å; L810-A814 PolarHBondContact O-N 2.88Å
811	A	65.4	Low	53.6	Low	52 Å²	52	80.4 Å²	80.4	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-72.6	-40.5	174.4	0	0	0	0	0	112.8	R807 K808 R815	R807-A811 VanDerWaalsContact O-CB 3.22Å; R807-A811 WeakPolarHBondContact O-CB 3.47Å; R807-A811 PolarHBondContact O-N 2.71Å; K808-A811 PolarHBondContact O-N 2.73Å; A811-R815 VanDerWaalsContact O-CB 3.31Å; A811-R815 WeakPolarHBondContact O-CB 3.2Å; A811-R815 WeakPolarHBondContact O-CG 3.33Å; A811-R815 PolarHBondContact O-N 3.14Å
812	D	55.9	Low	53.3	Low	67 Å²	67	79.9 Å²	79.9	36%	0.358	40%	0.397	S	S	.	.	H	α-helix	trans	-74.3	-29.4	176.1	-69.5	-19.4	0	0	0	110.5	K808 L816	K808-D812 WeakPolarHBondContact CG-OD2 3.18Å; K808-D812 WeakPolarHBondContact O-CA 3.49Å; K808-D812 WeakPolarHBondContact O-CB 3.49Å; K808-D812 VanDerWaalsContact O-CG 3.24Å; K808-D812 PolarHBondContact O-N 3.18Å; D812-L816 WeakPolarHBondContact O-CB 3.37Å; D812-L816 VanDerWaalsContact O-CD1 3.32Å; D812-L816 WeakPolarHBondContact O-CD1 3.31Å; D812-L816 WeakPolarHBondContact O-CG 3.38Å; D812-L816 PolarHBondContact O-N 2.86Å
813	R	56.8	Low	52.8	Low	120 Å²	120	76.5 Å²	76.5	45%	0.453	38%	0.377	S	S	.	.	H	α-helix	trans	-74.2	-41.7	170	-176.2	175.9	-173.8	158.1	4.9	112.1	M809 R815 L816 Q817	M809-R813 WeakPolarHBondContact O-CA 3.26Å; M809-R813 WeakPolarHBondContact O-CB 3.13Å; M809-R813 PolarHBondContact O-N 3.44Å; R813-R815 VanDerWaalsContact C-N 3.34Å; R813-L816 CarbonylContact O-C 3.59Å; R813-L816 PolarHBondContact O-N 3.3Å; R813-Q817 WeakPolarHBondContact O-CB 3.3Å; R813-Q817 PolarHBondContact O-N 3.42Å
814	A	59.1	Low	52	Low	49 Å²	49	79.7 Å²	79.7	41%	0.405	39%	0.394	S	S	.	.	H	α-helix	trans	-57.3	-51	170.7	0	0	0	0	0	109.6	L810 L816 Q817 E818	L810-A814 WeakPolarHBondContact O-CB 3.37Å; L810-A814 PolarHBondContact O-N 2.88Å; A814-L816 PolarHBondContact O-N 3.39Å; A814-Q817 CarbonylContact O-C 3.48Å; A814-Q817 WeakPolarHBondContact O-CB 3.44Å; A814-Q817 PolarHBondContact O-N 3.44Å; A814-Q817 VanDerWaalsContact O-N 3.11Å; A814-E818 WeakPolarHBondContact O-CG 3.49Å; A814-E818 PolarHBondContact O-N 3.18Å
815	R	61	Low	51.4	Low	112 Å²	112	81.3 Å²	81.3	42%	0.423	41%	0.407	S	S	.	.	H	α-helix	trans	-58.8	-42.5	172.9	-84.1	-179.2	146.2	-157.8	-10.9	113.5	E756 A811 R813 Q817 E818 L819	E756-R815 IonicContact OE1-CZ 3.97Å; E756-R815 IonicContact OE1-NE 3.11Å; E756-R815 PolarHBondContact OE1-NE 3.34Å; E756-R815 IonicContact OE1-NH2 3.61Å; E756-R815 PolarHBondContact OE1-NH2 2.92Å; A811-R815 VanDerWaalsContact O-CB 3.31Å; A811-R815 WeakPolarHBondContact O-CB 3.2Å; A811-R815 WeakPolarHBondContact O-CG 3.33Å; A811-R815 PolarHBondContact O-N 3.14Å; R813-R815 VanDerWaalsContact C-N 3.34Å; R815-Q817 PolarHBondContact O-N 3.13Å; R815-E818 PolarHBondContact O-N 2.87Å; R815-L819 HydrophobicContact CB-CD1 4.44Å; R815-L819 WeakPolarHBondContact O-CB 3.49Å; R815-L819 WeakPolarHBondContact O-CD1 3.32Å; R815-L819 WeakPolarHBondContact O-CG 3.38Å; R815-L819 PolarHBondContact O-N 3Å
816	L	52.5	Low	50.9	Low	43 Å²	43	86.7 Å²	86.7	23%	0.225	43%	0.43	C	S	.	.	H	α-helix	trans	-75.6	-16.2	179.5	-74.6	161.7	0	0	0	112.8	D812 R813 A814 L819 S820 I830 I834	D812-L816 WeakPolarHBondContact O-CB 3.37Å; D812-L816 VanDerWaalsContact O-CD1 3.32Å; D812-L816 WeakPolarHBondContact O-CD1 3.31Å; D812-L816 WeakPolarHBondContact O-CG 3.38Å; D812-L816 PolarHBondContact O-N 2.86Å; R813-L816 CarbonylContact O-C 3.59Å; R813-L816 PolarHBondContact O-N 3.3Å; A814-L816 PolarHBondContact O-N 3.39Å; L816-L819 HydrophobicContact CD2-CD1 3.92Å; L816-L819 HydrophobicContact CG-CD1 4.39Å; L816-S820 WeakPolarHBondContact O-CB 3.26Å; L816-S820 PolarHBondContact O-N 3.39Å; L816-I830 HydrophobicContact CD1-CG2 3.72Å; L816-I830 HydrophobicContact CD2-CD1 4.08Å; L816-I830 HydrophobicContact CD2-CG2 4.11Å; L816-I830 HydrophobicContact CG-CG2 4.46Å; L816-I834 HydrophobicContact CD1-CD1 3.76Å
817	Q	55.6	Low	50.6	Low	111 Å²	111	83.3 Å²	83.3	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-83.5	-35.6	169.4	-163.3	163	-0.9	0	0	111.1	R813 A814 R815 S820 N821	R813-Q817 WeakPolarHBondContact O-CB 3.3Å; R813-Q817 PolarHBondContact O-N 3.42Å; A814-Q817 CarbonylContact O-C 3.48Å; A814-Q817 WeakPolarHBondContact O-CB 3.44Å; A814-Q817 PolarHBondContact O-N 3.44Å; A814-Q817 VanDerWaalsContact O-N 3.11Å; R815-Q817 PolarHBondContact O-N 3.13Å; Q817-S820 VanDerWaalsContact O-CB 3.31Å; Q817-S820 WeakPolarHBondContact O-CB 3.41Å; Q817-S820 PolarHBondContact O-N 3.02Å; Q817-N821 WeakPolarHBondContact O-CB 3.36Å; Q817-N821 PolarHBondContact O-N 3.3Å; Q817-N821 PolarHBondContact O-ND2 3.48Å; Q817-N821 PolarHBondContact O-OD1 2.78Å; Q817-N821 VanDerWaalsContact O-OD1 3.14Å
818	E	58.4	Low	50.1	Low	94 Å²	94	80.4 Å²	80.4	44%	0.439	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-57.1	166.3	-71.5	166.7	134.5	0	0	110.8	A814 R815 S820 N821 T822	A814-E818 WeakPolarHBondContact O-CG 3.49Å; A814-E818 PolarHBondContact O-N 3.18Å; R815-E818 PolarHBondContact O-N 2.87Å; E818-S820 PolarHBondContact O-N 2.83Å; E818-S820 VanDerWaalsContact O-N 3.08Å; E818-N821 PolarHBondContact O-N 2.8Å; E818-T822 VanDerWaalsContact O-CB 3.27Å; E818-T822 WeakPolarHBondContact O-CB 3.29Å; E818-T822 PolarHBondContact O-N 2.74Å; E818-T822 PolarHBondContact O-OG1 2.89Å; E818-T822 VanDerWaalsContact O-OG1 3.09Å
819	L	49.3	Very low	49.4	Very low	49 Å²	49	83.5 Å²	83.5	26%	0.257	43%	0.431	S	S	.	.	H	α-helix	trans	-58.5	-22.1	173.8	-59.4	162.9	0	0	0	112.5	D760 R815 L816 Y823	D760-L819 WeakPolarHBondContact OD1-CD2 3.47Å; R815-L819 HydrophobicContact CB-CD1 4.44Å; R815-L819 WeakPolarHBondContact O-CB 3.49Å; R815-L819 WeakPolarHBondContact O-CD1 3.32Å; R815-L819 WeakPolarHBondContact O-CG 3.38Å; R815-L819 PolarHBondContact O-N 3Å; L816-L819 HydrophobicContact CD2-CD1 3.92Å; L816-L819 HydrophobicContact CG-CD1 4.39Å; L819-Y823 HydrophobicContact CB-CD2 4.31Å; L819-Y823 HydrophobicContact CB-CE2 4.08Å; L819-Y823 HydrophobicContact CD2-CD2 4.5Å; L819-Y823 HydrophobicContact CD2-CE2 3.51Å; L819-Y823 HydrophobicContact CG-CE2 4.38Å; L819-Y823 WeakPolarHBondContact O-CB 3.23Å; L819-Y823 WeakPolarHBondContact O-CD2 3.36Å; L819-Y823 PolarHBondContact O-N 3.22Å
820	S	48.2	Very low	48.9	Very low	21 Å²	21	84 Å²	84	15%	0.147	43%	0.434	C	S	.	.	H	α-helix	trans	-68.3	-62.5	166.7	152.7	0	0	0	0	110.2	L816 Q817 E818 T822 Y823 N824 V827	L816-S820 WeakPolarHBondContact O-CB 3.26Å; L816-S820 PolarHBondContact O-N 3.39Å; Q817-S820 VanDerWaalsContact O-CB 3.31Å; Q817-S820 WeakPolarHBondContact O-CB 3.41Å; Q817-S820 PolarHBondContact O-N 3.02Å; E818-S820 PolarHBondContact O-N 2.83Å; E818-S820 VanDerWaalsContact O-N 3.08Å; S820-T822 VanDerWaalsContact C-N 3.3Å; S820-T822 PolarHBondContact O-N 3.38Å; S820-Y823 PolarHBondContact O-N 3.22Å; S820-N824 PolarHBondContact O-N 3.44Å; S820-V827 VanDerWaalsContact OG-CG2 3.23Å; S820-V827 WeakPolarHBondContact OG-CG2 3.19Å
821	N	46.5	Very low	48.6	Very low	123 Å²	123	82 Å²	82	66%	0.658	42%	0.421	S	S	*	.	H	α-helix	trans	-63.1	-38.6	-172.6	-61.9	-6.3	0	0	0	111.3	Q817 E818	Q817-N821 WeakPolarHBondContact O-CB 3.36Å; Q817-N821 PolarHBondContact O-N 3.3Å; Q817-N821 PolarHBondContact O-ND2 3.48Å; Q817-N821 PolarHBondContact O-OD1 2.78Å; Q817-N821 VanDerWaalsContact O-OD1 3.14Å; E818-N821 PolarHBondContact O-N 2.8Å
822	T	42.1	Very low	48.6	Very low	44 Å²	44	85.7 Å²	85.7	27%	0.27	43%	0.43	S	S	.	.	H	α-helix	trans	-78.1	-19.8	-178.3	-56.5	0	0	0	0	113	D760 K764 E818 S820	D760-T822 HydrophobicContact CB-CG2 3.85Å; D760-T822 WeakPolarHBondContact OD2-CG2 3.39Å; K764-T822 PolarHBondContact NZ-O 3.32Å; E818-T822 VanDerWaalsContact O-CB 3.27Å; E818-T822 WeakPolarHBondContact O-CB 3.29Å; E818-T822 PolarHBondContact O-N 2.74Å; E818-T822 PolarHBondContact O-OG1 2.89Å; E818-T822 VanDerWaalsContact O-OG1 3.09Å; S820-T822 VanDerWaalsContact C-N 3.3Å; S820-T822 PolarHBondContact O-N 3.38Å
823	Y	32.7	Very low	48.6	Very low	40 Å²	40	89.2 Å²	89.2	16%	0.157	44%	0.438	C	S	.	.	H	α-helix	trans	-114.8	-20.9	179.7	-67.1	-120.4	0	0	0	115.9	D760 K763 K764 L819 S820 V825	D760-Y823 VanDerWaalsContact CA-OH 3.29Å; D760-Y823 WeakPolarHBondContact CA-OH 3.39Å; D760-Y823 HydrophobicContact CB-CD2 4.22Å; D760-Y823 HydrophobicContact CB-CE1 4.42Å; D760-Y823 HydrophobicContact CB-CE2 3.41Å; D760-Y823 VanDerWaalsContact CB-CE2 3.41Å; D760-Y823 WeakPolarHBondContact CB-OH 3.22Å; D760-Y823 VanDerWaalsContact CG-CZ 3.47Å; D760-Y823 VanDerWaalsContact OD1-CE2 3.25Å; D760-Y823 WeakPolarHBondContact OD1-CE2 3.31Å; D760-Y823 VanDerWaalsContact OD1-CZ 3.28Å; D760-Y823 PolarHBondContact OD1-OH 3.26Å; D760-Y823 VanDerWaalsContact OD2-CE2 3.23Å; D760-Y823 WeakPolarHBondContact OD2-CE2 3.49Å; K763-Y823 HydrophobicContact CB-CE1 3.97Å; K763-Y823 WeakPolarHBondContact CB-OH 2.94Å; K763-Y823 VanDerWaalsContact CD-OH 3.26Å; K763-Y823 WeakPolarHBondContact CD-OH 3.39Å; K763-Y823 PolarHBondContact NZ-OH 3.45Å; K764-Y823 HydrophobicContact CD-CD1 4.27Å; K764-Y823 HydrophobicContact CG-CD1 3.79Å; K764-Y823 HydrophobicContact CG-CE1 3.95Å; L819-Y823 HydrophobicContact CB-CD2 4.31Å; L819-Y823 HydrophobicContact CB-CE2 4.08Å; L819-Y823 HydrophobicContact CD2-CD2 4.5Å; L819-Y823 HydrophobicContact CD2-CE2 3.51Å; L819-Y823 HydrophobicContact CG-CE2 4.38Å; L819-Y823 WeakPolarHBondContact O-CB 3.23Å; L819-Y823 WeakPolarHBondContact O-CD2 3.36Å; L819-Y823 PolarHBondContact O-N 3.22Å; S820-Y823 PolarHBondContact O-N 3.22Å; Y823-V825 HydrophobicContact CD1-CG2 4.43Å; Y823-V825 HydrophobicContact CG-CG2 4.41Å; Y823-V825 PolarHBondContact O-N 2.98Å
824	N	31.4	Very low	48.4	Very low	157 Å²	157	84.4 Å²	84.4	84%	0.84	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	30.8	-168	-151.5	-2.1	0	0	0	112.3	S820	S820-N824 PolarHBondContact O-N 3.44Å
825	V	38.8	Very low	48.5	Very low	81 Å²	81	87.5 Å²	87.5	49%	0.491	43%	0.426	S	S	.	.			trans	-77.9	139.2	171.3	163.2	0	0	0	0	108.4	Y823 V827	Y823-V825 HydrophobicContact CD1-CG2 4.43Å; Y823-V825 HydrophobicContact CG-CG2 4.41Å; Y823-V825 PolarHBondContact O-N 2.98Å; V825-V827 PolarHBondContact O-N 3.47Å
826	K	39.3	Very low	48.8	Very low	169 Å²	169	85.3 Å²	85.3	74%	0.735	43%	0.428	S	S	*	.			trans	-60.9	97.9	178.6	-75.8	-169.3	175.3	-173.9	0	111	S828	K826-S828 PolarHBondContact O-N 3.32Å; K826-S828 VanDerWaalsContact O-N 3.09Å
827	V	45	Very low	48.8	Very low	42 Å²	42	84.9 Å²	84.9	26%	0.255	42%	0.424	S	S	.	.	H	α-helix	trans	-56.2	-29.5	178.2	-139.2	0	0	0	0	111.1	S820 V825 E829 I830 E831	S820-V827 VanDerWaalsContact OG-CG2 3.23Å; S820-V827 WeakPolarHBondContact OG-CG2 3.19Å; V825-V827 PolarHBondContact O-N 3.47Å; V827-E829 VanDerWaalsContact C-N 3.29Å; V827-E829 PolarHBondContact O-N 3.32Å; V827-I830 CarbonylContact O-C 3.57Å; V827-I830 PolarHBondContact O-N 3.49Å; V827-E831 HydrophobicContact CB-CG 4.1Å; V827-E831 HydrophobicContact CG1-CG 3.84Å; V827-E831 PolarHBondContact O-N 2.8Å
828	S	46.7	Very low	48.7	Very low	60 Å²	60	80.1 Å²	80.1	42%	0.42	41%	0.405	S	S	.	.	H	α-helix	trans	-46.6	-38.9	-175.4	59.3	0	0	0	0	115.9	K826 Q832	K826-S828 PolarHBondContact O-N 3.32Å; K826-S828 VanDerWaalsContact O-N 3.09Å; S828-Q832 WeakPolarHBondContact O-CB 3.41Å; S828-Q832 WeakPolarHBondContact O-CG 3.41Å; S828-Q832 PolarHBondContact O-N 3.48Å
829	E	44	Very low	49	Very low	148 Å²	148	79.9 Å²	79.9	69%	0.692	41%	0.407	S	S	*	.	H	α-helix	trans	-74.4	-36.1	178.6	-71.4	-176.6	-165	0	0	112.1	V827 W833	V827-E829 VanDerWaalsContact C-N 3.29Å; V827-E829 PolarHBondContact O-N 3.32Å; E829-W833 PolarHBondContact O-N 3.26Å
830	I	43.4	Very low	49.9	Very low	62 Å²	62	82.3 Å²	82.3	32%	0.318	41%	0.413	S	S	.	.	H	α-helix	trans	-83.5	-29.1	179.1	-49.8	178.7	0	0	0	110.6	L816 V827 W833 I834	L816-I830 HydrophobicContact CD1-CG2 3.72Å; L816-I830 HydrophobicContact CD2-CD1 4.08Å; L816-I830 HydrophobicContact CD2-CG2 4.11Å; L816-I830 HydrophobicContact CG-CG2 4.46Å; V827-I830 CarbonylContact O-C 3.57Å; V827-I830 PolarHBondContact O-N 3.49Å; I830-W833 CarbonylContact O-C 3.4Å; I830-W833 PolarHBondContact O-N 3.43Å; I830-I834 HydrophobicContact CG2-CD1 4.23Å; I830-I834 WeakPolarHBondContact O-CB 3.33Å; I830-I834 VanDerWaalsContact O-CG1 3.3Å; I830-I834 WeakPolarHBondContact O-CG1 3.35Å; I830-I834 PolarHBondContact O-N 3.26Å
831	E	49.3	Very low	50.1	Low	77 Å²	77	83.4 Å²	83.4	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-68.4	-36.5	165.2	-75.6	-164.1	149.8	0	0	111.9	V827 W833 I834 K835	V827-E831 HydrophobicContact CB-CG 4.1Å; V827-E831 HydrophobicContact CG1-CG 3.84Å; V827-E831 PolarHBondContact O-N 2.8Å; E831-W833 VanDerWaalsContact C-N 3.29Å; E831-I834 PolarHBondContact O-N 2.8Å; E831-K835 WeakPolarHBondContact O-CA 3.11Å; E831-K835 WeakPolarHBondContact O-CB 3.33Å; E831-K835 WeakPolarHBondContact O-CG 3.18Å; E831-K835 PolarHBondContact O-N 2.76Å
832	Q	63.8	Low	50.4	Low	131 Å²	131	82.8 Å²	82.8	61%	0.612	41%	0.41	S	S	*	.	H	α-helix	trans	-66.2	-33.2	170.1	-83.5	177.1	-26.9	0	0	111.3	S828 S836	S828-Q832 WeakPolarHBondContact O-CB 3.41Å; S828-Q832 WeakPolarHBondContact O-CG 3.41Å; S828-Q832 PolarHBondContact O-N 3.48Å; Q832-S836 VanDerWaalsContact O-CB 3.26Å; Q832-S836 WeakPolarHBondContact O-CB 3.27Å; Q832-S836 PolarHBondContact O-N 3.26Å; Q832-S836 PolarHBondContact O-OG 3.5Å
833	W	57.6	Low	51.4	Low	141 Å²	141	85.7 Å²	85.7	53%	0.534	42%	0.42	S	S	.	.	H	α-helix	trans	-72.7	-42.4	171.6	-174.6	64.7	0	0	0	113.1	E829 I830 E831 S836 E837	E829-W833 PolarHBondContact O-N 3.26Å; I830-W833 CarbonylContact O-C 3.4Å; I830-W833 PolarHBondContact O-N 3.43Å; E831-W833 VanDerWaalsContact C-N 3.29Å; W833-S836 PolarHBondContact O-N 3.37Å; W833-S836 PolarHBondContact O-OG 2.85Å; W833-E837 HydrophobicContact CZ2-CB 4.39Å; W833-E837 HydrophobicContact CZ2-CG 4.16Å; W833-E837 WeakPolarHBondContact O-CB 3.13Å; W833-E837 PolarHBondContact O-N 3.31Å
834	I	51.3	Low	52.7	Low	19 Å²	19	86.9 Å²	86.9	10%	0.097	43%	0.427	C	S	.	.	H	α-helix	trans	-68	-35.6	176.2	-75.3	171	0	0	0	111.7	M809 L816 I830 E831 G838	M809-I834 HydrophobicContact CE-CG2 3.97Å; M809-I834 HydrophobicContact SD-CG2 4.18Å; L816-I834 HydrophobicContact CD1-CD1 3.76Å; I830-I834 HydrophobicContact CG2-CD1 4.23Å; I830-I834 WeakPolarHBondContact O-CB 3.33Å; I830-I834 VanDerWaalsContact O-CG1 3.3Å; I830-I834 WeakPolarHBondContact O-CG1 3.35Å; I830-I834 PolarHBondContact O-N 3.26Å; E831-I834 PolarHBondContact O-N 2.8Å; I834-G838 VanDerWaalsContact O-CA 3.32Å; I834-G838 WeakPolarHBondContact O-CA 3.15Å; I834-G838 PolarHBondContact O-N 2.86Å
835	K	62.6	Low	53.7	Low	114 Å²	114	80.3 Å²	80.3	50%	0.496	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-68.1	167.3	-73.7	167.7	-177.4	169.6	0	108.1	E831 E837 G838 D839	E831-K835 WeakPolarHBondContact O-CA 3.11Å; E831-K835 WeakPolarHBondContact O-CB 3.33Å; E831-K835 WeakPolarHBondContact O-CG 3.18Å; E831-K835 PolarHBondContact O-N 2.76Å; K835-E837 VanDerWaalsContact C-N 3.31Å; K835-E837 PolarHBondContact O-N 2.7Å; K835-G838 CarbonylContact O-C 3.14Å; K835-G838 WeakPolarHBondContact O-CA 3.32Å; K835-G838 PolarHBondContact O-N 3.27Å; K835-D839 VanDerWaalsContact C-CG 3.48Å; K835-D839 WeakPolarHBondContact O-CB 3.14Å; K835-D839 PolarHBondContact O-N 3.13Å
836	S	66.1	Low	54.6	Low	66 Å²	66	81.1 Å²	81.1	46%	0.462	40%	0.395	S	S	.	.	H	α-helix	trans	-57.1	-33.1	-174.6	57.6	0	0	0	0	115.8	Q832 W833 D839 R840	Q832-S836 VanDerWaalsContact O-CB 3.26Å; Q832-S836 WeakPolarHBondContact O-CB 3.27Å; Q832-S836 PolarHBondContact O-N 3.26Å; Q832-S836 PolarHBondContact O-OG 3.5Å; W833-S836 PolarHBondContact O-N 3.37Å; W833-S836 PolarHBondContact O-OG 2.85Å; S836-D839 PolarHBondContact N-OD2 2.83Å; S836-R840 WeakPolarHBondContact O-CB 3.07Å; S836-R840 PolarHBondContact O-N 2.6Å
837	E	52.3	Low	55.7	Low	34 Å²	34	77.5 Å²	77.5	16%	0.159	38%	0.383	C	S	.	.	H	α-helix	trans	-80.5	-33	173.5	-173.4	66.2	-176.8	0	0	112.3	W833 K835 R840 L841	W833-E837 HydrophobicContact CZ2-CB 4.39Å; W833-E837 HydrophobicContact CZ2-CG 4.16Å; W833-E837 WeakPolarHBondContact O-CB 3.13Å; W833-E837 PolarHBondContact O-N 3.31Å; K835-E837 VanDerWaalsContact C-N 3.31Å; K835-E837 PolarHBondContact O-N 2.7Å; E837-R840 PolarHBondContact O-N 2.82Å; E837-R840 IonicContact OE1-CZ 3.65Å; E837-R840 IonicContact OE1-NE 3.69Å; E837-R840 PolarHBondContact OE1-NE 2.98Å; E837-R840 IonicContact OE1-NH2 2.98Å; E837-R840 PolarHBondContact OE1-NH2 2.8Å; E837-R840 IonicContact OE2-CZ 2.79Å; E837-R840 IonicContact OE2-NE 3.81Å; E837-R840 PolarHBondContact OE2-NE 3.4Å; E837-R840 IonicContact OE2-NH2 2.79Å; E837-L841 HydrophobicContact CG-CD1 4.13Å; E837-L841 WeakPolarHBondContact O-CB 3.33Å; E837-L841 WeakPolarHBondContact O-CG 3.47Å; E837-L841 PolarHBondContact O-N 3.17Å
838	G	54.4	Low	56.4	Low	11 Å²	11	81.6 Å²	81.6	11%	0.113	39%	0.394	C	S	.	.	H	α-helix	trans	-66.5	-44.2	170.4	0	0	0	0	0	112.2	I834 K835 L841 Q842	I834-G838 VanDerWaalsContact O-CA 3.32Å; I834-G838 WeakPolarHBondContact O-CA 3.15Å; I834-G838 PolarHBondContact O-N 2.86Å; K835-G838 CarbonylContact O-C 3.14Å; K835-G838 WeakPolarHBondContact O-CA 3.32Å; K835-G838 PolarHBondContact O-N 3.27Å; G838-L841 CarbonylContact O-C 3.59Å; G838-L841 PolarHBondContact O-N 3.42Å; G838-Q842 VanDerWaalsContact O-CB 3.31Å; G838-Q842 WeakPolarHBondContact O-CB 3.44Å; G838-Q842 VanDerWaalsContact O-CG 3.32Å; G838-Q842 WeakPolarHBondContact O-CG 3.42Å; G838-Q842 PolarHBondContact O-N 2.98Å
839	D	65.2	Low	56.5	Low	89 Å²	89	82 Å²	82	48%	0.476	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-42.7	171.5	-54.3	-30	0	0	0	109.6	K835 S836 L841 Q842 H843	K835-D839 VanDerWaalsContact C-CG 3.48Å; K835-D839 WeakPolarHBondContact O-CB 3.14Å; K835-D839 PolarHBondContact O-N 3.13Å; S836-D839 PolarHBondContact N-OD2 2.83Å; D839-L841 VanDerWaalsContact C-N 3.34Å; D839-L841 PolarHBondContact O-N 2.87Å; D839-Q842 PolarHBondContact O-N 3.3Å; D839-H843 WeakPolarHBondContact O-CB 3.22Å; D839-H843 PolarHBondContact O-N 2.7Å
840	R	68	Low	57.2	Low	100 Å²	100	79.7 Å²	79.7	38%	0.377	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-36.8	174.6	-167.6	-170.6	74	68	0.2	112.3	S836 E837 H843 E844	S836-R840 WeakPolarHBondContact O-CB 3.07Å; S836-R840 PolarHBondContact O-N 2.6Å; E837-R840 PolarHBondContact O-N 2.82Å; E837-R840 IonicContact OE1-CZ 3.65Å; E837-R840 IonicContact OE1-NE 3.69Å; E837-R840 PolarHBondContact OE1-NE 2.98Å; E837-R840 IonicContact OE1-NH2 2.98Å; E837-R840 PolarHBondContact OE1-NH2 2.8Å; E837-R840 IonicContact OE2-CZ 2.79Å; E837-R840 IonicContact OE2-NE 3.81Å; E837-R840 PolarHBondContact OE2-NE 3.4Å; E837-R840 IonicContact OE2-NH2 2.79Å; R840-H843 PolarHBondContact O-N 3.19Å; R840-E844 IonicContact NH1-OE2 3.95Å; R840-E844 PolarHBondContact NH1-OE2 3.05Å; R840-E844 WeakPolarHBondContact O-CB 3.24Å; R840-E844 PolarHBondContact O-N 3.34Å
841	L	50.7	Low	58.4	Low	43 Å²	43	79.7 Å²	79.7	23%	0.225	39%	0.385	C	S	.	.	H	α-helix	trans	-87.2	-25	179.7	-72.7	167.4	0	0	0	113.2	F805 E837 G838 D839 H843 G845	F805-L841 HydrophobicContact CD1-CD1 3.98Å; F805-L841 HydrophobicContact CD2-CD1 4.42Å; F805-L841 HydrophobicContact CE1-CD1 3.27Å; F805-L841 HydrophobicContact CE2-CD1 3.81Å; F805-L841 HydrophobicContact CZ-CD1 3.19Å; E837-L841 HydrophobicContact CG-CD1 4.13Å; E837-L841 WeakPolarHBondContact O-CB 3.33Å; E837-L841 WeakPolarHBondContact O-CG 3.47Å; E837-L841 PolarHBondContact O-N 3.17Å; G838-L841 CarbonylContact O-C 3.59Å; G838-L841 PolarHBondContact O-N 3.42Å; D839-L841 VanDerWaalsContact C-N 3.34Å; D839-L841 PolarHBondContact O-N 2.87Å; L841-H843 VanDerWaalsContact C-N 3.33Å; L841-G845 WeakPolarHBondContact O-CA 3.37Å; L841-G845 PolarHBondContact O-N 2.91Å
842	Q	53.8	Low	58.9	Low	110 Å²	110	80.9 Å²	80.9	51%	0.514	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-38.7	160.4	-77.4	-174.3	13.3	0	0	110.1	G838 D839 Q846	G838-Q842 VanDerWaalsContact O-CB 3.31Å; G838-Q842 WeakPolarHBondContact O-CB 3.44Å; G838-Q842 VanDerWaalsContact O-CG 3.32Å; G838-Q842 WeakPolarHBondContact O-CG 3.42Å; G838-Q842 PolarHBondContact O-N 2.98Å; D839-Q842 PolarHBondContact O-N 3.3Å; Q842-Q846 WeakPolarHBondContact O-CA 3.14Å; Q842-Q846 WeakPolarHBondContact O-CB 3.41Å; Q842-Q846 WeakPolarHBondContact O-CG 3.21Å; Q842-Q846 PolarHBondContact O-N 3.4Å
843	H	63.1	Low	58.7	Low	105 Å²	105	76.6 Å²	76.6	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-74.3	-35.5	176.8	-164.4	-14.7	0	0	0	112.2	D839 R840 L841 L847	D839-H843 WeakPolarHBondContact O-CB 3.22Å; D839-H843 PolarHBondContact O-N 2.7Å; R840-H843 PolarHBondContact O-N 3.19Å; L841-H843 VanDerWaalsContact C-N 3.33Å; H843-L847 VanDerWaalsContact O-CB 3.28Å; H843-L847 WeakPolarHBondContact O-CB 3.43Å; H843-L847 WeakPolarHBondContact O-CD1 3.3Å; H843-L847 WeakPolarHBondContact O-CG 3.42Å; H843-L847 PolarHBondContact O-N 2.88Å
844	E	60.5	Low	59.4	Low	65 Å²	65	74.1 Å²	74.1	30%	0.304	37%	0.368	S	S	.	.	H	α-helix	trans	-72.8	-36.5	172	-162.9	-174.8	145.8	0	0	111.2	R840 L847 R848	R840-E844 IonicContact NH1-OE2 3.95Å; R840-E844 PolarHBondContact NH1-OE2 3.05Å; R840-E844 WeakPolarHBondContact O-CB 3.24Å; R840-E844 PolarHBondContact O-N 3.34Å; E844-L847 PolarHBondContact O-N 2.95Å; E844-R848 WeakPolarHBondContact O-CB 3.41Å; E844-R848 WeakPolarHBondContact O-CG 3.3Å; E844-R848 PolarHBondContact O-N 3.32Å; E844-R848 IonicContact OE1-CZ 3.27Å; E844-R848 IonicContact OE1-NE 2.97Å; E844-R848 IonicContact OE1-NH2 3.1Å; E844-R848 PolarHBondContact OE1-NH2 2.99Å
845	G	51.9	Low	60.4	Low	19 Å²	19	78 Å²	78	20%	0.196	39%	0.39	C	S	.	.	H	α-helix	trans	-63.7	-46.3	170.9	0	0	0	0	0	111.8	L841 R848 M849	L841-G845 WeakPolarHBondContact O-CA 3.37Å; L841-G845 PolarHBondContact O-N 2.91Å; G845-R848 PolarHBondContact O-N 3.46Å; G845-M849 WeakPolarHBondContact O-CB 3.47Å; G845-M849 VanDerWaalsContact O-CG 3.24Å; G845-M849 WeakPolarHBondContact O-CG 3.39Å; G845-M849 PolarHBondContact O-N 3.43Å
846	Q	56.5	Low	60.6	Low	99 Å²	99	72.9 Å²	72.9	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-61.4	-48.2	171.7	-79.5	166.5	-9.9	0	0	110.4	Q842 R848 M849 E850	Q842-Q846 WeakPolarHBondContact O-CA 3.14Å; Q842-Q846 WeakPolarHBondContact O-CB 3.41Å; Q842-Q846 WeakPolarHBondContact O-CG 3.21Å; Q842-Q846 PolarHBondContact O-N 3.4Å; Q846-R848 VanDerWaalsContact C-N 3.28Å; Q846-R848 PolarHBondContact O-N 2.96Å; Q846-M849 CarbonylContact O-C 3.52Å; Q846-M849 PolarHBondContact O-N 3.11Å; Q846-M849 VanDerWaalsContact O-N 3.15Å; Q846-E850 WeakPolarHBondContact O-CA 3.21Å; Q846-E850 WeakPolarHBondContact O-CB 3.22Å; Q846-E850 VanDerWaalsContact O-CG 3.24Å; Q846-E850 WeakPolarHBondContact O-CG 3.24Å; Q846-E850 PolarHBondContact O-N 3.48Å
847	L	63.7	Low	60.8	Low	92 Å²	92	72.4 Å²	72.4	48%	0.482	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-35.1	177.2	-77.7	166	0	0	0	112.5	H843 E844 S851	H843-L847 VanDerWaalsContact O-CB 3.28Å; H843-L847 WeakPolarHBondContact O-CB 3.43Å; H843-L847 WeakPolarHBondContact O-CD1 3.3Å; H843-L847 WeakPolarHBondContact O-CG 3.42Å; H843-L847 PolarHBondContact O-N 2.88Å; E844-L847 PolarHBondContact O-N 2.95Å; L847-S851 VanDerWaalsContact O-CB 3.25Å; L847-S851 WeakPolarHBondContact O-CB 3.49Å; L847-S851 PolarHBondContact O-N 3.16Å; L847-S851 PolarHBondContact O-OG 3.45Å
848	R	60.1	Low	61.9	Low	128 Å²	128	77.1 Å²	77.1	48%	0.483	38%	0.378	S	S	.	.	H	α-helix	trans	-68.5	-50.1	171.5	-72.7	-178.9	-165.9	-159.6	9.4	111.1	E844 G845 Q846 E850 S851 Q852	E844-R848 WeakPolarHBondContact O-CB 3.41Å; E844-R848 WeakPolarHBondContact O-CG 3.3Å; E844-R848 PolarHBondContact O-N 3.32Å; E844-R848 IonicContact OE1-CZ 3.27Å; E844-R848 IonicContact OE1-NE 2.97Å; E844-R848 IonicContact OE1-NH2 3.1Å; E844-R848 PolarHBondContact OE1-NH2 2.99Å; G845-R848 PolarHBondContact O-N 3.46Å; Q846-R848 VanDerWaalsContact C-N 3.28Å; Q846-R848 PolarHBondContact O-N 2.96Å; R848-E850 PolarHBondContact O-N 3.48Å; R848-S851 PolarHBondContact O-N 3.21Å; R848-S851 PolarHBondContact O-OG 2.83Å; R848-Q852 WeakPolarHBondContact O-CG 3.49Å; R848-Q852 PolarHBondContact O-N 3.37Å
849	M	47.7	Very low	62.7	Low	69 Å²	69	82 Å²	82	34%	0.34	40%	0.4	S	S	.	.	H	α-helix	trans	-56.9	-46.1	175.7	-74.6	-70.6	-77.9	0	0	111.4	G845 Q846 Q852 L853	G845-M849 WeakPolarHBondContact O-CB 3.47Å; G845-M849 VanDerWaalsContact O-CG 3.24Å; G845-M849 WeakPolarHBondContact O-CG 3.39Å; G845-M849 PolarHBondContact O-N 3.43Å; Q846-M849 CarbonylContact O-C 3.52Å; Q846-M849 PolarHBondContact O-N 3.11Å; Q846-M849 VanDerWaalsContact O-N 3.15Å; M849-Q852 CarbonylContact O-C 3.6Å; M849-Q852 PolarHBondContact O-N 3.2Å; M849-L853 WeakPolarHBondContact O-CA 3.41Å; M849-L853 VanDerWaalsContact O-CB 3.24Å; M849-L853 WeakPolarHBondContact O-CB 3.3Å; M849-L853 WeakPolarHBondContact O-CD1 3.07Å; M849-L853 PolarHBondContact O-N 2.72Å
850	E	59.7	Low	63	Low	99 Å²	99	77.8 Å²	77.8	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-34.4	175.4	-76.1	-177.5	159.8	0	0	112.6	Q846 R848 N854	Q846-E850 WeakPolarHBondContact O-CA 3.21Å; Q846-E850 WeakPolarHBondContact O-CB 3.22Å; Q846-E850 VanDerWaalsContact O-CG 3.24Å; Q846-E850 WeakPolarHBondContact O-CG 3.24Å; Q846-E850 PolarHBondContact O-N 3.48Å; R848-E850 PolarHBondContact O-N 3.48Å; E850-N854 WeakPolarHBondContact O-CB 3.31Å; E850-N854 PolarHBondContact O-N 3.22Å; E850-N854 PolarHBondContact O-ND2 2.76Å
851	S	68.3	Low	63.2	Low	63 Å²	63	77.9 Å²	77.9	44%	0.441	38%	0.378	S	S	.	.	H	α-helix	trans	-70.6	-37.7	173.1	75.3	0	0	0	0	111.4	L847 R848 N855	L847-S851 VanDerWaalsContact O-CB 3.25Å; L847-S851 WeakPolarHBondContact O-CB 3.49Å; L847-S851 PolarHBondContact O-N 3.16Å; L847-S851 PolarHBondContact O-OG 3.45Å; R848-S851 PolarHBondContact O-N 3.21Å; R848-S851 PolarHBondContact O-OG 2.83Å; S851-N855 PolarHBondContact O-N 2.9Å
852	Q	59.9	Low	64.5	Low	102 Å²	102	82.5 Å²	82.5	48%	0.477	40%	0.398	S	S	.	.	H	α-helix	trans	-73	-39.9	175.6	-70.3	-177.3	1.5	0	0	111.3	R848 M849 N855 W856	R848-Q852 WeakPolarHBondContact O-CG 3.49Å; R848-Q852 PolarHBondContact O-N 3.37Å; M849-Q852 CarbonylContact O-C 3.6Å; M849-Q852 PolarHBondContact O-N 3.2Å; Q852-N855 PolarHBondContact O-N 3.01Å; Q852-W856 WeakPolarHBondContact O-CB 3.42Å; Q852-W856 PolarHBondContact O-N 2.84Å
853	L	60.5	Low	65.4	Low	41 Å²	41	80.1 Å²	80.1	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-62.2	-50.1	169.3	-99.3	131.5	0	0	0	109.6	M849 N855 W856 Q857 V898	M849-L853 WeakPolarHBondContact O-CA 3.41Å; M849-L853 VanDerWaalsContact O-CB 3.24Å; M849-L853 WeakPolarHBondContact O-CB 3.3Å; M849-L853 WeakPolarHBondContact O-CD1 3.07Å; M849-L853 PolarHBondContact O-N 2.72Å; L853-N855 VanDerWaalsContact C-N 3.27Å; L853-N855 PolarHBondContact O-N 3.21Å; L853-W856 HydrophobicContact CD2-CE3 3.72Å; L853-W856 HydrophobicContact CD2-CZ3 3.72Å; L853-W856 HydrophobicContact CG-CE3 4.2Å; L853-W856 CarbonylContact O-C 3.54Å; L853-W856 PolarHBondContact O-N 3.26Å; L853-W856 VanDerWaalsContact O-N 3.1Å; L853-Q857 HydrophobicContact CD2-CG 4.22Å; L853-Q857 WeakPolarHBondContact O-CA 3.44Å; L853-Q857 WeakPolarHBondContact O-CB 3.24Å; L853-Q857 WeakPolarHBondContact O-CG 3.24Å; L853-Q857 PolarHBondContact O-N 2.72Å; L853-V898 HydrophobicContact CD1-CG2 4.4Å
854	N	71.5	Confident	65.8	Low	88 Å²	88	75.1 Å²	75.1	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-35.7	178.8	-89.6	-81.7	0	0	0	112.6	E850 K858	E850-N854 WeakPolarHBondContact O-CB 3.31Å; E850-N854 PolarHBondContact O-N 3.22Å; E850-N854 PolarHBondContact O-ND2 2.76Å; N854-K858 WeakPolarHBondContact O-CB 3.3Å; N854-K858 WeakPolarHBondContact O-CG 3.41Å; N854-K858 PolarHBondContact O-N 3.13Å
855	N	71.3	Confident	66.4	Low	101 Å²	101	74.4 Å²	74.4	54%	0.54	36%	0.359	S	S	.	.	H	α-helix	trans	-71.7	-43.1	172	-84.4	-12.9	0	0	0	112.5	S851 Q852 L853 K858 I859	S851-N855 PolarHBondContact O-N 2.9Å; Q852-N855 PolarHBondContact O-N 3.01Å; L853-N855 VanDerWaalsContact C-N 3.27Å; L853-N855 PolarHBondContact O-N 3.21Å; N855-K858 WeakPolarHBondContact O-CB 3.17Å; N855-K858 PolarHBondContact O-N 2.72Å; N855-I859 VanDerWaalsContact O-CG1 3.31Å; N855-I859 WeakPolarHBondContact O-CG1 3.22Å; N855-I859 PolarHBondContact O-N 2.71Å
856	W	66.9	Low	67.4	Low	7 Å²	7	76.7 Å²	76.7	3%	0.027	37%	0.367	C	S	.	.	H	α-helix	trans	-63	-51.7	176	165.1	66.3	0	0	0	111.8	Q852 L853 K858 I859 E860 L892 H896 I903 W906	Q852-W856 WeakPolarHBondContact O-CB 3.42Å; Q852-W856 PolarHBondContact O-N 2.84Å; L853-W856 HydrophobicContact CD2-CE3 3.72Å; L853-W856 HydrophobicContact CD2-CZ3 3.72Å; L853-W856 HydrophobicContact CG-CE3 4.2Å; L853-W856 CarbonylContact O-C 3.54Å; L853-W856 PolarHBondContact O-N 3.26Å; L853-W856 VanDerWaalsContact O-N 3.1Å; W856-K858 PolarHBondContact O-N 3.2Å; W856-I859 CarbonylContact O-C 3.56Å; W856-I859 WeakPolarHBondContact O-CA 3.32Å; W856-I859 PolarHBondContact O-N 2.82Å; W856-E860 HydrophobicContact CZ2-CB 4.34Å; W856-E860 HydrophobicContact CZ2-CG 4.4Å; W856-E860 PolarHBondContact O-N 3Å; W856-L892 HydrophobicContact CZ2-CD2 3.87Å; W856-L892 HydrophobicContact CZ2-CG 4.45Å; W856-H896 AromaticContact CD1-CD2 3.81Å; W856-H896 AromaticContact CD1-NE2 3.69Å; W856-H896 AromaticContact CG-NE2 3.93Å; W856-I903 HydrophobicContact CH2-CG1 4.18Å; W856-I903 HydrophobicContact CH2-CG2 4.36Å; W856-I903 HydrophobicContact CZ2-CD1 4.36Å; W856-I903 HydrophobicContact CZ2-CG1 4.22Å; W856-I903 HydrophobicContact CZ2-CG2 3.99Å; W856-W906 HydrophobicContact CH2-CB 4.05Å; W856-W906 AromaticContact CH2-CD2 3.5Å; W856-W906 HydrophobicContact CH2-CD2 3.5Å; W856-W906 AromaticContact CH2-CE3 3.3Å; W856-W906 HydrophobicContact CH2-CE3 3.3Å; W856-W906 AromaticContact CH2-CG 3.82Å; W856-W906 HydrophobicContact CH2-CG 3.82Å; W856-W906 AromaticContact CH2-CZ3 3.96Å; W856-W906 HydrophobicContact CH2-CZ3 3.96Å; W856-W906 HydrophobicContact CZ2-CD2 4.42Å; W856-W906 AromaticContact CZ2-CE3 3.81Å; W856-W906 HydrophobicContact CZ2-CE3 3.81Å; W856-W906 HydrophobicContact CZ2-CZ3 4.1Å; W856-W906 HydrophobicContact CZ3-CB 4.46Å; W856-W906 AromaticContact CZ3-CD2 3.78Å; W856-W906 HydrophobicContact CZ3-CD2 3.78Å; W856-W906 AromaticContact CZ3-CE3 3.99Å; W856-W906 HydrophobicContact CZ3-CE3 3.99Å; W856-W906 AromaticContact CZ3-CG 3.97Å; W856-W906 HydrophobicContact CZ3-CG 3.97Å
857	Q	71	Confident	68	Low	56 Å²	56	74.2 Å²	74.2	26%	0.262	36%	0.357	S	S	.	.	H	α-helix	trans	-55	-37	172.8	-70.3	-168.2	16.5	0	0	111.6	L853 R861 W906	L853-Q857 HydrophobicContact CD2-CG 4.22Å; L853-Q857 WeakPolarHBondContact O-CA 3.44Å; L853-Q857 WeakPolarHBondContact O-CB 3.24Å; L853-Q857 WeakPolarHBondContact O-CG 3.24Å; L853-Q857 PolarHBondContact O-N 2.72Å; Q857-R861 WeakPolarHBondContact O-CA 3.38Å; Q857-R861 WeakPolarHBondContact O-CB 3.33Å; Q857-R861 PolarHBondContact O-N 2.96Å; Q857-W906 HydrophobicContact CB-CH2 4.05Å; Q857-W906 HydrophobicContact CB-CZ2 3.44Å; Q857-W906 VanDerWaalsContact CB-CZ2 3.44Å; Q857-W906 HydrophobicContact CG-CD2 4.36Å; Q857-W906 VanDerWaalsContact CG-CE2 3.45Å; Q857-W906 HydrophobicContact CG-CH2 4.22Å; Q857-W906 HydrophobicContact CG-CZ2 3.39Å
858	K	76.4	Confident	68	Low	133 Å²	133	70.1 Å²	70.1	58%	0.578	34%	0.335	S	S	*	.	H	α-helix	trans	-64.9	-49.8	170	-82.2	172.6	-178.4	179.9	0	111.6	N854 N855 W856 Q862	N854-K858 WeakPolarHBondContact O-CB 3.3Å; N854-K858 WeakPolarHBondContact O-CG 3.41Å; N854-K858 PolarHBondContact O-N 3.13Å; N855-K858 WeakPolarHBondContact O-CB 3.17Å; N855-K858 PolarHBondContact O-N 2.72Å; W856-K858 PolarHBondContact O-N 3.2Å; K858-Q862 WeakPolarHBondContact O-CB 3.23Å; K858-Q862 PolarHBondContact O-N 3Å
859	I	70.7	Confident	68.4	Low	113 Å²	113	67.9 Å²	67.9	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-61.4	-46.5	179.9	-67.8	162.3	0	0	0	111.2	N855 W856 Q862 R863	N855-I859 VanDerWaalsContact O-CG1 3.31Å; N855-I859 WeakPolarHBondContact O-CG1 3.22Å; N855-I859 PolarHBondContact O-N 2.71Å; W856-I859 CarbonylContact O-C 3.56Å; W856-I859 WeakPolarHBondContact O-CA 3.32Å; W856-I859 PolarHBondContact O-N 2.82Å; I859-Q862 CarbonylContact O-C 3.55Å; I859-Q862 WeakPolarHBondContact O-CA 3.5Å; I859-Q862 PolarHBondContact O-N 3.39Å; I859-R863 WeakPolarHBondContact O-CB 3.28Å; I859-R863 PolarHBondContact O-N 3.39Å
860	E	70.1	Confident	69	Low	1 Å²	1	71.3 Å²	71.3	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-77	-33.7	-178.5	-161.6	64.4	-171.6	0	0	112.1	W856 Q862 R863 L864 H888 W906	W856-E860 HydrophobicContact CZ2-CB 4.34Å; W856-E860 HydrophobicContact CZ2-CG 4.4Å; W856-E860 PolarHBondContact O-N 3Å; E860-Q862 PolarHBondContact O-N 3.26Å; E860-R863 PolarHBondContact O-N 3.02Å; E860-R863 WeakPolarHBondContact OE1-CD 3.3Å; E860-R863 IonicContact OE1-CZ 3.76Å; E860-R863 IonicContact OE1-NH1 3.91Å; E860-R863 PolarHBondContact OE1-NH1 3.35Å; E860-R863 WeakPolarHBondContact OE2-CD 3.29Å; E860-L864 WeakPolarHBondContact O-CB 3.36Å; E860-L864 WeakPolarHBondContact O-CG 3.3Å; E860-L864 PolarHBondContact O-N 2.78Å; E860-H888 IonicContact OE1-CE1 2.71Å; E860-H888 IonicContact OE1-ND1 3.75Å; E860-H888 IonicContact OE2-CE1 3.75Å; E860-H888 PolarHBondContact OE2-CE1 3.34Å; E860-H888 IonicContact OE2-NE2 2.67Å; E860-W906 HydrophobicContact CB-CH2 4.14Å; E860-W906 HydrophobicContact CB-CZ3 3.81Å; E860-W906 HydrophobicContact CG-CZ3 3.87Å
861	R	73.9	Confident	68.6	Low	102 Å²	102	70 Å²	70	39%	0.385	34%	0.342	S	S	.	.	H	α-helix	trans	-63.2	-35.2	165.7	-172.3	-179.9	-172.8	-148.7	2.9	110.2	Q857 L865 W906	Q857-R861 WeakPolarHBondContact O-CA 3.38Å; Q857-R861 WeakPolarHBondContact O-CB 3.33Å; Q857-R861 PolarHBondContact O-N 2.96Å; R861-L865 HydrophobicContact CG-CD1 4.01Å; R861-L865 HydrophobicContact CG-CG 4.33Å; R861-L865 WeakPolarHBondContact O-CA 3.43Å; R861-L865 WeakPolarHBondContact O-CB 3.36Å; R861-L865 WeakPolarHBondContact O-CG 3.1Å; R861-L865 PolarHBondContact O-N 3.42Å; R861-W906 HydrophobicContact CB-CH2 4.34Å
862	Q	77	Confident	67.7	Low	140 Å²	140	72.1 Å²	72.1	65%	0.654	35%	0.349	S	S	*	.	H	α-helix	trans	-75.5	-24.6	177.1	-161.8	158.5	14.1	0	0	112.4	K858 I859 E860 L865 D866	K858-Q862 WeakPolarHBondContact O-CB 3.23Å; K858-Q862 PolarHBondContact O-N 3Å; I859-Q862 CarbonylContact O-C 3.55Å; I859-Q862 WeakPolarHBondContact O-CA 3.5Å; I859-Q862 PolarHBondContact O-N 3.39Å; E860-Q862 PolarHBondContact O-N 3.26Å; Q862-L865 CarbonylContact O-C 3.49Å; Q862-D866 WeakPolarHBondContact O-CB 3.43Å; Q862-D866 PolarHBondContact O-N 3.31Å; Q862-D866 VanDerWaalsContact O-N 3.11Å
863	R	73.8	Confident	67.5	Low	60 Å²	60	68.2 Å²	68.2	23%	0.226	33%	0.331	C	S	.	.	H	α-helix	trans	-77.2	-42.1	170.2	-171.5	-174.1	-179	-124.5	3.2	112.3	I859 E860 L865 D866 L867 D885 H888	I859-R863 WeakPolarHBondContact O-CB 3.28Å; I859-R863 PolarHBondContact O-N 3.39Å; E860-R863 PolarHBondContact O-N 3.02Å; E860-R863 WeakPolarHBondContact OE1-CD 3.3Å; E860-R863 IonicContact OE1-CZ 3.76Å; E860-R863 IonicContact OE1-NH1 3.91Å; E860-R863 PolarHBondContact OE1-NH1 3.35Å; E860-R863 WeakPolarHBondContact OE2-CD 3.29Å; R863-L865 VanDerWaalsContact C-N 3.27Å; R863-D866 WeakPolarHBondContact O-CA 3.17Å; R863-D866 WeakPolarHBondContact O-CB 3.47Å; R863-D866 PolarHBondContact O-N 3.41Å; R863-L867 HydrophobicContact CG-CD1 4.46Å; R863-L867 WeakPolarHBondContact O-CG 3.44Å; R863-L867 PolarHBondContact O-N 3.43Å; R863-D885 IonicContact CZ-OD2 2.66Å; R863-D885 IonicContact NH2-OD2 2.64Å; R863-D885 PolarHBondContact NH2-OD2 3.14Å; R863-H888 PolarHBondContact NH1-CE1 2.9Å; R863-H888 PolarHBondContact NH1-ND1 2.87Å; R863-H888 VanDerWaalsContact NH1-ND1 3.19Å
864	L	71.5	Confident	67.1	Low	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-36.9	166.7	-71.8	170.4	0	0	0	110.6	E860 D866 I868 I882 W906 Q910 Q2137	E860-L864 WeakPolarHBondContact O-CB 3.36Å; E860-L864 WeakPolarHBondContact O-CG 3.3Å; E860-L864 PolarHBondContact O-N 2.78Å; L864-D866 PolarHBondContact O-N 3.09Å; L864-I868 VanDerWaalsContact O-CD1 3.29Å; L864-I868 WeakPolarHBondContact O-CD1 3.49Å; L864-I868 VanDerWaalsContact O-CG1 3.27Å; L864-I868 WeakPolarHBondContact O-CG1 3.26Å; L864-I882 HydrophobicContact CD2-CD1 3.76Å; L864-W906 HydrophobicContact CD1-CZ3 4.41Å; L864-Q910 HydrophobicContact CD1-CB 3.95Å; L864-Q2137 PolarHBondContact O-NE2 3.05Å
865	L	71.4	Confident	66.3	Low	49 Å²	49	62.9 Å²	62.9	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-83.4	28.5	166.8	-63	175.4	0	0	0	113	R861 Q862 R863 L914 Q2137	R861-L865 HydrophobicContact CG-CD1 4.01Å; R861-L865 HydrophobicContact CG-CG 4.33Å; R861-L865 WeakPolarHBondContact O-CA 3.43Å; R861-L865 WeakPolarHBondContact O-CB 3.36Å; R861-L865 WeakPolarHBondContact O-CG 3.1Å; R861-L865 PolarHBondContact O-N 3.42Å; Q862-L865 CarbonylContact O-C 3.49Å; R863-L865 VanDerWaalsContact C-N 3.27Å; L865-L914 HydrophobicContact CD2-CD2 4.33Å; L865-Q2137 HydrophobicContact CB-CG 4.46Å; L865-Q2137 HydrophobicContact CD2-CG 3.71Å; L865-Q2137 PolarHBondContact O-OE1 2.87Å
866	D	74.3	Confident	65.9	Low	67 Å²	67	61.6 Å²	61.6	36%	0.358	29%	0.293	S	S	.	.	H	α-helix	trans	-131.7	-44.3	165.9	-147.6	25.5	0	0	0	111.7	Q862 R863 L864 I868 N869 K870	Q862-D866 WeakPolarHBondContact O-CB 3.43Å; Q862-D866 PolarHBondContact O-N 3.31Å; Q862-D866 VanDerWaalsContact O-N 3.11Å; R863-D866 WeakPolarHBondContact O-CA 3.17Å; R863-D866 WeakPolarHBondContact O-CB 3.47Å; R863-D866 PolarHBondContact O-N 3.41Å; L864-D866 PolarHBondContact O-N 3.09Å; D866-I868 VanDerWaalsContact C-N 3.34Å; D866-I868 PolarHBondContact O-N 2.76Å; D866-N869 PolarHBondContact O-N 2.82Å; D866-K870 WeakPolarHBondContact O-CB 3.47Å; D866-K870 WeakPolarHBondContact O-CG 3.26Å; D866-K870 PolarHBondContact O-N 3.2Å; D866-K870 VanDerWaalsContact O-N 3.1Å; D866-K870 WeakPolarHBondContact OD1-CD 3.29Å; D866-K870 WeakPolarHBondContact OD1-CE 3.21Å; D866-K870 IonicContact OD1-NZ 2.87Å; D866-K870 PolarHBondContact OD1-NZ 2.9Å; D866-K870 IonicContact OD2-NZ 3.27Å; D866-K870 PolarHBondContact OD2-NZ 2.69Å
867	L	68.4	Low	65.8	Low	48 Å²	48	62.8 Å²	62.8	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-40.4	-178.8	-77.7	166.7	0	0	0	114.2	R863 N871	R863-L867 HydrophobicContact CG-CD1 4.46Å; R863-L867 WeakPolarHBondContact O-CG 3.44Å; R863-L867 PolarHBondContact O-N 3.43Å; L867-N871 PolarHBondContact O-N 3.48Å; L867-N871 PolarHBondContact O-ND2 2.76Å; L867-N871 VanDerWaalsContact O-ND2 3.13Å
868	I	64.7	Low	65.5	Low	5 Å²	5	60.5 Å²	60.5	3%	0.026	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-19.7	-171.7	-41.3	168.4	0	0	0	112.4	L864 D866 I878 Q2136 Q2137	L864-I868 VanDerWaalsContact O-CD1 3.29Å; L864-I868 WeakPolarHBondContact O-CD1 3.49Å; L864-I868 VanDerWaalsContact O-CG1 3.27Å; L864-I868 WeakPolarHBondContact O-CG1 3.26Å; D866-I868 VanDerWaalsContact C-N 3.34Å; D866-I868 PolarHBondContact O-N 2.76Å; I868-I878 HydrophobicContact CD1-CD1 4.27Å; I868-I878 HydrophobicContact CG1-CD1 3.89Å; I868-I878 HydrophobicContact CG2-CD1 4.39Å; I868-Q2136 VanDerWaalsContact CG2-CA 3.45Å; I868-Q2137 VanDerWaalsContact C-CB 3.41Å; I868-Q2137 VanDerWaalsContact CA-NE2 3.28Å; I868-Q2137 HydrophobicContact CB-CB 3.8Å; I868-Q2137 HydrophobicContact CB-CG 4.13Å; I868-Q2137 HydrophobicContact CG2-CB 4.07Å
869	N	67.9	Low	64.9	Low	81 Å²	81	57.8 Å²	57.8	43%	0.433	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-46.3	167	-95.1	-38.1	0	0	0	109.6	D866 N871 Q2137 V2138	D866-N869 PolarHBondContact O-N 2.82Å; N869-N871 PolarHBondContact O-N 3.05Å; N869-N871 VanDerWaalsContact O-N 3.15Å; N869-Q2137 HydrophobicContact CB-CB 4.07Å; N869-Q2137 HydrophobicContact CB-CG 4.38Å; N869-Q2137 VanDerWaalsContact N-CB 3.3Å; N869-Q2137 VanDerWaalsContact N-OE1 3.14Å; N869-Q2137 PolarHBondContact ND2-OE1 3.32Å; N869-V2138 PolarHBondContact OD1-N 3.48Å
870	K	60.2	Low	64.9	Low	141 Å²	141	52.9 Å²	52.9	61%	0.613	25%	0.253	S	S	*	.	S	Bend	trans	-69.4	-13.3	-170.1	-74.5	174.1	172.1	166	0	113	D866	D866-K870 WeakPolarHBondContact O-CB 3.47Å; D866-K870 WeakPolarHBondContact O-CG 3.26Å; D866-K870 PolarHBondContact O-N 3.2Å; D866-K870 VanDerWaalsContact O-N 3.1Å; D866-K870 WeakPolarHBondContact OD1-CD 3.29Å; D866-K870 WeakPolarHBondContact OD1-CE 3.21Å; D866-K870 IonicContact OD1-NZ 2.87Å; D866-K870 PolarHBondContact OD1-NZ 2.9Å; D866-K870 IonicContact OD2-NZ 3.27Å; D866-K870 PolarHBondContact OD2-NZ 2.69Å
871	N	50.8	Low	64.8	Low	73 Å²	73	57.2 Å²	57.2	39%	0.39	27%	0.272	S	S	.	.	S	Bend	trans	-152.2	144.3	178.1	-44.9	-98.4	0	0	0	109.8	L867 N869 L873	L867-N871 PolarHBondContact O-N 3.48Å; L867-N871 PolarHBondContact O-ND2 2.76Å; L867-N871 VanDerWaalsContact O-ND2 3.13Å; N869-N871 PolarHBondContact O-N 3.05Å; N869-N871 VanDerWaalsContact O-N 3.15Å; N871-L873 HydrophobicContact CB-CB 4.31Å; N871-L873 HydrophobicContact CB-CD1 3.5Å; N871-L873 HydrophobicContact CB-CD2 4.28Å; N871-L873 HydrophobicContact CB-CG 3.39Å; N871-L873 PolarHBondContact O-N 2.83Å
872	N	50.4	Low	64.4	Low	107 Å²	107	52.9 Å²	52.9	57%	0.572	26%	0.257	S	S	*	.			trans	-71.7	76.1	157.5	-72.2	-4.6	0	0	0	108.5	Q2136	N872-Q2136 PolarHBondContact OD1-NE2 3.37Å
873	L	54.5	Low	63.8	Low	19 Å²	19	48.7 Å²	48.7	10%	0.099	24%	0.243	C	C	.	.			trans	-103.8	170.6	170.4	-64.4	167.2	0	0	0	109.9	N871 E877 I878 K881 Q2135	N871-L873 HydrophobicContact CB-CB 4.31Å; N871-L873 HydrophobicContact CB-CD1 3.5Å; N871-L873 HydrophobicContact CB-CD2 4.28Å; N871-L873 HydrophobicContact CB-CG 3.39Å; N871-L873 PolarHBondContact O-N 2.83Å; L873-E877 WeakPolarHBondContact CA-OE2 3.46Å; L873-E877 WeakPolarHBondContact CB-OE2 3.34Å; L873-E877 WeakPolarHBondContact CD2-OE2 3.28Å; L873-I878 HydrophobicContact CB-CG1 4.11Å; L873-K881 HydrophobicContact CD1-CD 3.98Å; L873-K881 VanDerWaalsContact CD1-NZ 3.26Å; L873-Q2135 PolarHBondContact O-N 3.44Å
874	S	53.1	Low	63.6	Low	2 Å²	2	50.4 Å²	50.4	1%	0.014	25%	0.252	C	S	.	.			trans	-136.5	155	-147.4	127.4	0	0	0	0	111.7	E876 E877 I878 L2132 G2133 Q2134	S874-E876 PolarHBondContact O-N 3.41Å; S874-E877 VanDerWaalsContact CB-CD 3.47Å; S874-E877 VanDerWaalsContact CB-CG 3.46Å; S874-E877 WeakPolarHBondContact CB-OE2 3.15Å; S874-E877 PolarHBondContact N-OE2 2.74Å; S874-E877 CarbonylContact O-C 3.53Å; S874-E877 PolarHBondContact O-N 3.36Å; S874-E877 WeakPolarHBondContact OG-CG 3.44Å; S874-I878 WeakPolarHBondContact O-CB 3.42Å; S874-I878 VanDerWaalsContact O-CG1 3.26Å; S874-I878 WeakPolarHBondContact O-CG1 3.27Å; S874-I878 PolarHBondContact O-N 2.7Å; S874-L2132 WeakPolarHBondContact OG-CA 3.25Å; S874-L2132 WeakPolarHBondContact OG-CB 3.46Å; S874-G2133 WeakPolarHBondContact CB-O 3.44Å; S874-G2133 WeakPolarHBondContact OG-CA 3.37Å; S874-G2133 PolarHBondContact OG-O 3.35Å; S874-G2133 VanDerWaalsContact OG-O 3.09Å; S874-Q2134 VanDerWaalsContact CA-CA 3.45Å; S874-Q2134 VanDerWaalsContact CB-CA 3.49Å; S874-Q2134 PolarHBondContact OG-N 2.92Å
875	I	54.4	Low	63.4	Low	15 Å²	15	52.5 Å²	52.5	8%	0.077	26%	0.263	C	S	.	.	H	α-helix	trans	-50.5	-57.8	-173.2	-62.1	-166.6	0	0	0	111.2	E877 I878 E879 I920 M922	I875-E877 PolarHBondContact O-N 3.24Å; I875-E877 VanDerWaalsContact O-N 3.08Å; I875-I878 PolarHBondContact O-N 2.93Å; I875-I878 VanDerWaalsContact O-N 3.17Å; I875-E879 HydrophobicContact CG2-CG 4.12Å; I875-E879 VanDerWaalsContact O-CB 3.24Å; I875-E879 WeakPolarHBondContact O-CB 3.1Å; I875-E879 WeakPolarHBondContact O-CG 3.25Å; I875-E879 PolarHBondContact O-N 2.94Å; I875-I920 HydrophobicContact CD1-CG2 3.62Å; I875-I920 HydrophobicContact CG1-CG2 3.89Å; I875-M922 HydrophobicContact CB-CE 4.1Å; I875-M922 HydrophobicContact CD1-CB 3.4Å; I875-M922 HydrophobicContact CD1-CE 3.99Å; I875-M922 HydrophobicContact CD1-CG 4.09Å; I875-M922 HydrophobicContact CG1-CB 3.97Å; I875-M922 HydrophobicContact CG1-CE 4.22Å; I875-M922 HydrophobicContact CG1-CG 4.24Å
876	E	63.4	Low	63	Low	75 Å²	75	53.2 Å²	53.2	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-70.7	-4.1	-177.8	-71.3	122.7	152.9	0	0	114.7	S874 S880 D2131 G2133	S874-E876 PolarHBondContact O-N 3.41Å; E876-S880 WeakPolarHBondContact O-CB 3.45Å; E876-S880 PolarHBondContact O-N 2.99Å; E876-S880 VanDerWaalsContact O-N 3.15Å; E876-S880 PolarHBondContact O-OG 3.07Å; E876-D2131 WeakPolarHBondContact CB-O 3.32Å; E876-G2133 WeakPolarHBondContact OE2-CA 3.38Å; E876-G2133 PolarHBondContact OE2-N 3.21Å; E876-G2133 VanDerWaalsContact OE2-N 3.17Å
877	E	64.3	Low	62.6	Low	31 Å²	31	54.5 Å²	54.5	15%	0.145	28%	0.276	C	S	.	.	H	α-helix	trans	-117.7	-2.8	169.1	29.8	140.9	104.3	0	0	115.3	L873 S874 I875 S880 K881 L2132	L873-E877 WeakPolarHBondContact CA-OE2 3.46Å; L873-E877 WeakPolarHBondContact CB-OE2 3.34Å; L873-E877 WeakPolarHBondContact CD2-OE2 3.28Å; S874-E877 VanDerWaalsContact CB-CD 3.47Å; S874-E877 VanDerWaalsContact CB-CG 3.46Å; S874-E877 WeakPolarHBondContact CB-OE2 3.15Å; S874-E877 PolarHBondContact N-OE2 2.74Å; S874-E877 CarbonylContact O-C 3.53Å; S874-E877 PolarHBondContact O-N 3.36Å; S874-E877 WeakPolarHBondContact OG-CG 3.44Å; I875-E877 PolarHBondContact O-N 3.24Å; I875-E877 VanDerWaalsContact O-N 3.08Å; E877-S880 WeakPolarHBondContact CA-OG 3.34Å; E877-K881 WeakPolarHBondContact O-CB 3.24Å; E877-K881 VanDerWaalsContact O-CD 3.26Å; E877-K881 WeakPolarHBondContact O-CD 3.44Å; E877-K881 WeakPolarHBondContact O-CG 3.41Å; E877-K881 PolarHBondContact O-N 3.17Å; E877-L2132 HydrophobicContact CG-CB 3.74Å; E877-L2132 HydrophobicContact CG-CD2 4.35Å; E877-L2132 WeakPolarHBondContact OE1-CD2 2.94Å
878	I	64	Low	62.6	Low	9 Å²	9	54.4 Å²	54.4	5%	0.046	27%	0.274	C	S	.	.	H	α-helix	trans	-84.1	-51.1	159.8	-70	160.5	0	0	0	105.9	I868 L873 S874 I875 K881 I882 I911	I868-I878 HydrophobicContact CD1-CD1 4.27Å; I868-I878 HydrophobicContact CG1-CD1 3.89Å; I868-I878 HydrophobicContact CG2-CD1 4.39Å; L873-I878 HydrophobicContact CB-CG1 4.11Å; S874-I878 WeakPolarHBondContact O-CB 3.42Å; S874-I878 VanDerWaalsContact O-CG1 3.26Å; S874-I878 WeakPolarHBondContact O-CG1 3.27Å; S874-I878 PolarHBondContact O-N 2.7Å; I875-I878 PolarHBondContact O-N 2.93Å; I875-I878 VanDerWaalsContact O-N 3.17Å; I878-K881 PolarHBondContact O-N 2.71Å; I878-I882 HydrophobicContact CG2-CD1 3.85Å; I878-I882 VanDerWaalsContact O-CB 3.24Å; I878-I882 WeakPolarHBondContact O-CB 3.43Å; I878-I882 WeakPolarHBondContact O-CD1 3.09Å; I878-I882 WeakPolarHBondContact O-CG1 3.47Å; I878-I882 PolarHBondContact O-N 2.74Å; I878-I911 HydrophobicContact CG2-CD1 4.29Å
879	E	65	Low	62.5	Low	76 Å²	76	54.3 Å²	54.3	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-47.4	169.7	-65.6	-177.1	164.9	0	0	111	I875 I882 S883 I911	I875-E879 HydrophobicContact CG2-CG 4.12Å; I875-E879 VanDerWaalsContact O-CB 3.24Å; I875-E879 WeakPolarHBondContact O-CB 3.1Å; I875-E879 WeakPolarHBondContact O-CG 3.25Å; I875-E879 PolarHBondContact O-N 2.94Å; E879-I882 PolarHBondContact O-N 3.32Å; E879-S883 WeakPolarHBondContact O-CB 3.44Å; E879-S883 PolarHBondContact O-N 3.27Å; E879-S883 PolarHBondContact O-OG 3.46Å; E879-I911 HydrophobicContact CG-CD1 3.92Å
880	S	69	Low	62.1	Low	9 Å²	9	55.1 Å²	55.1	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-73.6	-25.4	175	80.3	0	0	0	0	114.7	E876 E877 S883 K884	E876-S880 WeakPolarHBondContact O-CB 3.45Å; E876-S880 PolarHBondContact O-N 2.99Å; E876-S880 VanDerWaalsContact O-N 3.15Å; E876-S880 PolarHBondContact O-OG 3.07Å; E877-S880 WeakPolarHBondContact CA-OG 3.34Å; S880-S883 WeakPolarHBondContact CA-OG 3.48Å; S880-S883 PolarHBondContact O-OG 2.94Å; S880-K884 WeakPolarHBondContact O-CB 3.35Å; S880-K884 WeakPolarHBondContact O-CD 3.39Å; S880-K884 WeakPolarHBondContact O-CG 3.49Å; S880-K884 PolarHBondContact O-N 3.11Å
881	K	69.7	Low	62.5	Low	93 Å²	93	50.3 Å²	50.3	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-72.9	-34.6	169.6	-78	171.6	-173.7	-178.7	0	112.5	L873 E877 I878 D885	L873-K881 HydrophobicContact CD1-CD 3.98Å; L873-K881 VanDerWaalsContact CD1-NZ 3.26Å; E877-K881 WeakPolarHBondContact O-CB 3.24Å; E877-K881 VanDerWaalsContact O-CD 3.26Å; E877-K881 WeakPolarHBondContact O-CD 3.44Å; E877-K881 WeakPolarHBondContact O-CG 3.41Å; E877-K881 PolarHBondContact O-N 3.17Å; I878-K881 PolarHBondContact O-N 2.71Å; K881-D885 WeakPolarHBondContact O-CB 3.34Å; K881-D885 PolarHBondContact O-N 3.33Å
882	I	65.7	Low	63	Low	11 Å²	11	47.4 Å²	47.4	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-70	-41.4	174.5	-69.9	167.6	0	0	0	110.1	L864 I878 E879 D885 L889 I907	L864-I882 HydrophobicContact CD2-CD1 3.76Å; I878-I882 HydrophobicContact CG2-CD1 3.85Å; I878-I882 VanDerWaalsContact O-CB 3.24Å; I878-I882 WeakPolarHBondContact O-CB 3.43Å; I878-I882 WeakPolarHBondContact O-CD1 3.09Å; I878-I882 WeakPolarHBondContact O-CG1 3.47Å; I878-I882 PolarHBondContact O-N 2.74Å; E879-I882 PolarHBondContact O-N 3.32Å; I882-D885 CarbonylContact O-C 3.31Å; I882-D885 PolarHBondContact O-N 2.9Å; I882-L889 HydrophobicContact CG2-CD1 4.03Å; I882-L889 HydrophobicContact CG2-CD2 3.89Å; I882-L889 HydrophobicContact CG2-CG 4.19Å; I882-L889 VanDerWaalsContact O-CD1 3.25Å; I882-L889 WeakPolarHBondContact O-CD1 3.49Å; I882-I907 HydrophobicContact CD1-CG2 3.88Å; I882-I907 HydrophobicContact CG2-CD1 3.93Å; I882-I907 HydrophobicContact CG2-CG2 4.37Å
883	S	63.9	Low	63.6	Low	52 Å²	52	42.8 Å²	42.8	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-78.1	-18.9	176	79.6	0	0	0	0	114.4	E879 S880 Q886	E879-S883 WeakPolarHBondContact O-CB 3.44Å; E879-S883 PolarHBondContact O-N 3.27Å; E879-S883 PolarHBondContact O-OG 3.46Å; S880-S883 WeakPolarHBondContact CA-OG 3.48Å; S880-S883 PolarHBondContact O-OG 2.94Å; S883-Q886 WeakPolarHBondContact O-CG 3.25Å; S883-Q886 PolarHBondContact O-NE2 3.47Å; S883-Q886 VanDerWaalsContact O-NE2 3.12Å
884	K	70.1	Confident	63.8	Low	95 Å²	95	47.2 Å²	47.2	41%	0.413	24%	0.236	S	C	.	.	H	α-helix	trans	-72.7	-41.3	162.8	-78.8	160.6	-176.9	166.1	0	111	S880 Q886 E2130	S880-K884 WeakPolarHBondContact O-CB 3.35Å; S880-K884 WeakPolarHBondContact O-CD 3.39Å; S880-K884 WeakPolarHBondContact O-CG 3.49Å; S880-K884 PolarHBondContact O-N 3.11Å; K884-Q886 PolarHBondContact O-N 3.07Å; K884-E2130 WeakPolarHBondContact CE-OE1 3.42Å; K884-E2130 WeakPolarHBondContact CE-OE2 3.19Å; K884-E2130 IonicContact NZ-OE1 2.62Å; K884-E2130 IonicContact NZ-OE2 2.7Å; K884-E2130 PolarHBondContact NZ-OE2 3.32Å
885	D	66.7	Low	64.3	Low	44 Å²	44	53.7 Å²	53.7	24%	0.235	27%	0.267	C	S	.	.			trans	-79.9	49.9	176.8	-163	6	0	0	0	112.3	R863 K881 I882 T887 H888 L889	R863-D885 IonicContact CZ-OD2 2.66Å; R863-D885 IonicContact NH2-OD2 2.64Å; R863-D885 PolarHBondContact NH2-OD2 3.14Å; K881-D885 WeakPolarHBondContact O-CB 3.34Å; K881-D885 PolarHBondContact O-N 3.33Å; I882-D885 CarbonylContact O-C 3.31Å; I882-D885 PolarHBondContact O-N 2.9Å; D885-T887 PolarHBondContact O-N 3.18Å; D885-T887 PolarHBondContact OD1-OG1 2.89Å; D885-H888 HydrophobicContact CB-CB 4.33Å; D885-H888 WeakPolarHBondContact O-CA 3.31Å; D885-H888 WeakPolarHBondContact O-CB 3.25Å; D885-H888 PolarHBondContact O-N 3.43Å; D885-H888 WeakPolarHBondContact OD1-CB 3.49Å; D885-H888 PolarHBondContact OD1-N 2.8Å; D885-H888 WeakPolarHBondContact OD2-CB 3Å; D885-H888 IonicContact OD2-CG 3.68Å; D885-L889 PolarHBondContact O-N 2.83Å
886	Q	61.8	Low	64.4	Low	65 Å²	65	54.4 Å²	54.4	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-56.6	-28.7	169.5	-54.5	-165	-11.4	0	0	111	S883 K884 L889 Y890	S883-Q886 WeakPolarHBondContact O-CG 3.25Å; S883-Q886 PolarHBondContact O-NE2 3.47Å; S883-Q886 VanDerWaalsContact O-NE2 3.12Å; K884-Q886 PolarHBondContact O-N 3.07Å; Q886-L889 PolarHBondContact O-N 3.4Å; Q886-Y890 HydrophobicContact CB-CD2 3.93Å; Q886-Y890 HydrophobicContact CB-CE2 4.1Å; Q886-Y890 WeakPolarHBondContact O-CB 3.27Å; Q886-Y890 VanDerWaalsContact O-CD2 3.3Å; Q886-Y890 WeakPolarHBondContact O-CD2 3.47Å; Q886-Y890 PolarHBondContact O-N 3.4Å
887	T	66.8	Low	63.8	Low	94 Å²	94	59 Å²	59	58%	0.577	29%	0.291	S	S	*	.	H	α-helix	trans	-54.5	-48.8	169.7	26	0	0	0	0	112.2	D885 S891	D885-T887 PolarHBondContact O-N 3.18Å; D885-T887 PolarHBondContact OD1-OG1 2.89Å; T887-S891 VanDerWaalsContact O-CB 3.24Å; T887-S891 WeakPolarHBondContact O-CB 3.1Å; T887-S891 PolarHBondContact O-N 2.89Å; T887-S891 PolarHBondContact O-OG 3.29Å; T887-S891 VanDerWaalsContact O-OG 3.11Å
888	H	67.8	Low	63.4	Low	45 Å²	45	58.3 Å²	58.3	21%	0.208	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-56.9	172.2	-164.2	-90.5	0	0	0	110.6	E860 R863 D885 Y890 S891 L892	E860-H888 IonicContact OE1-CE1 2.71Å; E860-H888 IonicContact OE1-ND1 3.75Å; E860-H888 IonicContact OE2-CE1 3.75Å; E860-H888 PolarHBondContact OE2-CE1 3.34Å; E860-H888 IonicContact OE2-NE2 2.67Å; R863-H888 PolarHBondContact NH1-CE1 2.9Å; R863-H888 PolarHBondContact NH1-ND1 2.87Å; R863-H888 VanDerWaalsContact NH1-ND1 3.19Å; D885-H888 HydrophobicContact CB-CB 4.33Å; D885-H888 WeakPolarHBondContact O-CA 3.31Å; D885-H888 WeakPolarHBondContact O-CB 3.25Å; D885-H888 PolarHBondContact O-N 3.43Å; D885-H888 WeakPolarHBondContact OD1-CB 3.49Å; D885-H888 PolarHBondContact OD1-N 2.8Å; D885-H888 WeakPolarHBondContact OD2-CB 3Å; D885-H888 IonicContact OD2-CG 3.68Å; H888-Y890 PolarHBondContact O-N 3.25Å; H888-S891 PolarHBondContact O-N 3.1Å; H888-S891 PolarHBondContact O-OG 2.79Å; H888-L892 WeakPolarHBondContact O-CB 3.44Å; H888-L892 PolarHBondContact O-N 2.89Å
889	L	64.3	Low	62.9	Low	4 Å²	4	64.8 Å²	64.8	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-53.8	-49	-175.3	-69.3	176.8	0	0	0	114.2	I882 D885 Q886 L892 A893 V900 I903 E904 I907	I882-L889 HydrophobicContact CG2-CD1 4.03Å; I882-L889 HydrophobicContact CG2-CD2 3.89Å; I882-L889 HydrophobicContact CG2-CG 4.19Å; I882-L889 VanDerWaalsContact O-CD1 3.25Å; I882-L889 WeakPolarHBondContact O-CD1 3.49Å; D885-L889 PolarHBondContact O-N 2.83Å; Q886-L889 PolarHBondContact O-N 3.4Å; L889-L892 WeakPolarHBondContact O-CB 3.32Å; L889-L892 PolarHBondContact O-N 3.49Å; L889-A893 WeakPolarHBondContact O-CB 3.24Å; L889-A893 PolarHBondContact O-N 3.01Å; L889-V900 HydrophobicContact CB-CG1 4.43Å; L889-I903 HydrophobicContact CD2-CG2 3.78Å; L889-E904 HydrophobicContact CD1-CG 4.25Å; L889-I907 HydrophobicContact CD2-CD1 3.68Å
890	Y	59.5	Low	62.7	Low	98 Å²	98	62.5 Å²	62.5	38%	0.384	30%	0.304	S	S	.	.	H	α-helix	trans	-67.8	-36.3	177.4	-79.3	-72.2	0	0	0	112.1	T537 Q886 H888 L892 Q894 V900	T537-Y890 HydrophobicContact CG2-CD2 4.29Å; T537-Y890 HydrophobicContact CG2-CE2 4.26Å; Q886-Y890 HydrophobicContact CB-CD2 3.93Å; Q886-Y890 HydrophobicContact CB-CE2 4.1Å; Q886-Y890 WeakPolarHBondContact O-CB 3.27Å; Q886-Y890 VanDerWaalsContact O-CD2 3.3Å; Q886-Y890 WeakPolarHBondContact O-CD2 3.47Å; Q886-Y890 PolarHBondContact O-N 3.4Å; H888-Y890 PolarHBondContact O-N 3.25Å; Y890-L892 VanDerWaalsContact C-N 3.33Å; Y890-Q894 WeakPolarHBondContact O-CB 3.31Å; Y890-Q894 PolarHBondContact O-N 2.81Å; Y890-V900 HydrophobicContact CD1-CG2 3.57Å; Y890-V900 HydrophobicContact CE1-CG2 3.65Å; Y890-V900 HydrophobicContact CG-CG2 4.23Å
891	S	68	Low	62.6	Low	39 Å²	39	67.6 Å²	67.6	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-38.4	173.9	75.9	0	0	0	0	112.2	T887 H888 Q894 Q895	T887-S891 VanDerWaalsContact O-CB 3.24Å; T887-S891 WeakPolarHBondContact O-CB 3.1Å; T887-S891 PolarHBondContact O-N 2.89Å; T887-S891 PolarHBondContact O-OG 3.29Å; T887-S891 VanDerWaalsContact O-OG 3.11Å; H888-S891 PolarHBondContact O-N 3.1Å; H888-S891 PolarHBondContact O-OG 2.79Å; S891-Q894 PolarHBondContact O-N 3.11Å; S891-Q895 WeakPolarHBondContact O-CB 3.38Å; S891-Q895 PolarHBondContact O-N 3.42Å
892	L	61.1	Low	62.3	Low	12 Å²	12	66.9 Å²	66.9	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-46.9	178.8	-142	62.6	0	0	0	110.7	W856 H888 L889 Y890 Q895 H896 I903	W856-L892 HydrophobicContact CZ2-CD2 3.87Å; W856-L892 HydrophobicContact CZ2-CG 4.45Å; H888-L892 WeakPolarHBondContact O-CB 3.44Å; H888-L892 PolarHBondContact O-N 2.89Å; L889-L892 WeakPolarHBondContact O-CB 3.32Å; L889-L892 PolarHBondContact O-N 3.49Å; Y890-L892 VanDerWaalsContact C-N 3.33Å; L892-Q895 PolarHBondContact O-N 3.21Å; L892-H896 WeakPolarHBondContact O-CB 3.39Å; L892-H896 PolarHBondContact O-CD2 3.41Å; L892-H896 PolarHBondContact O-N 3.11Å; L892-I903 HydrophobicContact CB-CD1 3.8Å; L892-I903 HydrophobicContact CD2-CD1 4.26Å; L892-I903 HydrophobicContact CD2-CG2 4.06Å; L892-I903 HydrophobicContact CG-CD1 4.06Å
893	A	61.9	Low	62.3	Low	11 Å²	11	66.3 Å²	66.3	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-47	175	0	0	0	0	0	111.7	L889 Q895 H896 Q897 V898 V900 I903	L889-A893 WeakPolarHBondContact O-CB 3.24Å; L889-A893 PolarHBondContact O-N 3.01Å; A893-Q895 VanDerWaalsContact C-N 3.35Å; A893-Q895 PolarHBondContact O-N 3.37Å; A893-H896 PolarHBondContact O-N 2.92Å; A893-Q897 WeakPolarHBondContact O-CA 3.29Å; A893-Q897 PolarHBondContact O-N 2.88Å; A893-V898 WeakPolarHBondContact CA-O 3.11Å; A893-V898 WeakPolarHBondContact CB-O 3.06Å; A893-V900 HydrophobicContact CB-CG2 3.59Å; A893-I903 HydrophobicContact CB-CD1 4.04Å; A893-I903 VanDerWaalsContact N-CD1 3.35Å
894	Q	60.5	Low	62.4	Low	111 Å²	111	66.5 Å²	66.5	52%	0.519	32%	0.317	S	S	.	.	H	α-helix	trans	-70.1	-29.4	179.3	-168.2	167.6	18.6	0	0	113	Y890 S891	Y890-Q894 WeakPolarHBondContact O-CB 3.31Å; Y890-Q894 PolarHBondContact O-N 2.81Å; S891-Q894 PolarHBondContact O-N 3.11Å
895	Q	62.1	Low	62.5	Low	139 Å²	139	67.5 Å²	67.5	65%	0.65	32%	0.323	S	S	*	.	H	α-helix	trans	-77.2	-32.1	176.7	179.3	171.4	-35.6	0	0	113	S891 L892 A893	S891-Q895 WeakPolarHBondContact O-CB 3.38Å; S891-Q895 PolarHBondContact O-N 3.42Å; L892-Q895 PolarHBondContact O-N 3.21Å; A893-Q895 VanDerWaalsContact C-N 3.35Å; A893-Q895 PolarHBondContact O-N 3.37Å
896	H	57.9	Low	62.9	Low	30 Å²	30	66.4 Å²	66.4	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-110.6	-0.9	-173.5	-67.1	-67.2	0	0	0	115	W856 L892 A893 V898	W856-H896 AromaticContact CD1-CD2 3.81Å; W856-H896 AromaticContact CD1-NE2 3.69Å; W856-H896 AromaticContact CG-NE2 3.93Å; L892-H896 WeakPolarHBondContact O-CB 3.39Å; L892-H896 PolarHBondContact O-CD2 3.41Å; L892-H896 PolarHBondContact O-N 3.11Å; A893-H896 PolarHBondContact O-N 2.92Å; H896-V898 HydrophobicContact CB-CG2 4.13Å; H896-V898 PolarHBondContact O-N 3.4Å; H896-V898 VanDerWaalsContact O-N 3.12Å
897	Q	49.7	Very low	63.3	Low	170 Å²	170	63.6 Å²	63.6	79%	0.794	30%	0.303	S	S	*	.			trans	58	16.6	-175.3	-60.8	-172.9	-26.5	0	0	114.9	A893	A893-Q897 WeakPolarHBondContact O-CA 3.29Å; A893-Q897 PolarHBondContact O-N 2.88Å
898	V	56.6	Low	63.5	Low	17 Å²	17	66 Å²	66	10%	0.103	30%	0.301	C	S	.	.			trans	-89.3	140	172.5	-176.7	0	0	0	0	107.8	L853 A893 H896 E902 I903	L853-V898 HydrophobicContact CD1-CG2 4.4Å; A893-V898 WeakPolarHBondContact CA-O 3.11Å; A893-V898 WeakPolarHBondContact CB-O 3.06Å; H896-V898 HydrophobicContact CB-CG2 4.13Å; H896-V898 PolarHBondContact O-N 3.4Å; H896-V898 VanDerWaalsContact O-N 3.12Å; V898-E902 HydrophobicContact CG1-CB 3.43Å; V898-E902 VanDerWaalsContact CG1-CB 3.43Å; V898-E902 WeakPolarHBondContact CG1-OE2 3.37Å; V898-I903 HydrophobicContact CB-CD1 4.24Å; V898-I903 HydrophobicContact CB-CG1 3.95Å; V898-I903 HydrophobicContact CG1-CD1 4.46Å; V898-I903 HydrophobicContact CG1-CG1 3.63Å
899	R	53.8	Low	63.9	Low	145 Å²	145	69 Å²	69	55%	0.547	32%	0.315	S	S	.	.			trans	-62.4	153.9	177.9	-58.9	-177.7	-154.3	-154.1	-2.3	111	E901 E902 I903	R899-E901 HydrophobicContact CB-CB 4.05Å; R899-E901 WeakPolarHBondContact CD-OE2 3.19Å; R899-E901 IonicContact CZ-OE2 3.14Å; R899-E901 IonicContact NE-OE2 2.72Å; R899-E901 IonicContact NH1-OE2 2.69Å; R899-E901 PolarHBondContact NH1-OE2 3.18Å; R899-E901 VanDerWaalsContact NH1-OE2 3.11Å; R899-E901 PolarHBondContact O-N 3.42Å; R899-E902 HydrophobicContact CB-CB 4.05Å; R899-E902 HydrophobicContact CB-CG 3.91Å; R899-E902 VanDerWaalsContact CD-OE1 3.28Å; R899-E902 WeakPolarHBondContact CD-OE1 3.38Å; R899-E902 VanDerWaalsContact CG-CD 3.45Å; R899-E902 HydrophobicContact CG-CG 4.18Å; R899-E902 WeakPolarHBondContact CG-OE1 3.24Å; R899-E902 WeakPolarHBondContact CG-OE2 3.21Å; R899-E902 IonicContact CZ-OE1 2.83Å; R899-E902 PolarHBondContact N-OE2 3.19Å; R899-E902 IonicContact NE-OE1 2.97Å; R899-E902 PolarHBondContact NE-OE1 3.12Å; R899-E902 PolarHBondContact O-N 2.96Å; R899-I903 PolarHBondContact O-N 2.71Å
900	V	61	Low	64.3	Low	28 Å²	28	69.7 Å²	69.7	17%	0.17	32%	0.318	C	S	.	.	H	α-helix	trans	-58.8	-37.7	167.2	-179.8	0	0	0	0	110.2	L889 Y890 A893 E902 I903 E904	L889-V900 HydrophobicContact CB-CG1 4.43Å; Y890-V900 HydrophobicContact CD1-CG2 3.57Å; Y890-V900 HydrophobicContact CE1-CG2 3.65Å; Y890-V900 HydrophobicContact CG-CG2 4.23Å; A893-V900 HydrophobicContact CB-CG2 3.59Å; V900-E902 VanDerWaalsContact C-N 3.34Å; V900-E902 PolarHBondContact O-N 3.33Å; V900-I903 PolarHBondContact O-N 2.82Å; V900-E904 HydrophobicContact CG1-CG 4.34Å; V900-E904 VanDerWaalsContact O-CB 3.31Å; V900-E904 WeakPolarHBondContact O-CB 3.49Å; V900-E904 WeakPolarHBondContact O-CG 3.21Å; V900-E904 PolarHBondContact O-N 2.91Å
901	E	66.2	Low	64.6	Low	116 Å²	116	65.3 Å²	65.3	54%	0.542	30%	0.301	S	S	.	.	H	α-helix	trans	-54.5	-44.9	170.6	-66	148.6	-159.1	0	0	112.9	R899 Q905	R899-E901 HydrophobicContact CB-CB 4.05Å; R899-E901 WeakPolarHBondContact CD-OE2 3.19Å; R899-E901 IonicContact CZ-OE2 3.14Å; R899-E901 IonicContact NE-OE2 2.72Å; R899-E901 IonicContact NH1-OE2 2.69Å; R899-E901 PolarHBondContact NH1-OE2 3.18Å; R899-E901 VanDerWaalsContact NH1-OE2 3.11Å; R899-E901 PolarHBondContact O-N 3.42Å; E901-Q905 VanDerWaalsContact O-CB 3.29Å; E901-Q905 WeakPolarHBondContact O-CB 3.46Å; E901-Q905 VanDerWaalsContact O-CG 3.22Å; E901-Q905 WeakPolarHBondContact O-CG 3.48Å; E901-Q905 PolarHBondContact O-N 2.72Å
902	E	63.5	Low	64.6	Low	78 Å²	78	68 Å²	68	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-77.6	-33.3	-177.3	-71.3	158.5	-172	0	0	111.6	V898 R899 V900 W906	V898-E902 HydrophobicContact CG1-CB 3.43Å; V898-E902 VanDerWaalsContact CG1-CB 3.43Å; V898-E902 WeakPolarHBondContact CG1-OE2 3.37Å; R899-E902 HydrophobicContact CB-CB 4.05Å; R899-E902 HydrophobicContact CB-CG 3.91Å; R899-E902 VanDerWaalsContact CD-OE1 3.28Å; R899-E902 WeakPolarHBondContact CD-OE1 3.38Å; R899-E902 VanDerWaalsContact CG-CD 3.45Å; R899-E902 HydrophobicContact CG-CG 4.18Å; R899-E902 WeakPolarHBondContact CG-OE1 3.24Å; R899-E902 WeakPolarHBondContact CG-OE2 3.21Å; R899-E902 IonicContact CZ-OE1 2.83Å; R899-E902 PolarHBondContact N-OE2 3.19Å; R899-E902 IonicContact NE-OE1 2.97Å; R899-E902 PolarHBondContact NE-OE1 3.12Å; R899-E902 PolarHBondContact O-N 2.96Å; V900-E902 VanDerWaalsContact C-N 3.34Å; V900-E902 PolarHBondContact O-N 3.33Å; E902-W906 WeakPolarHBondContact O-CB 3.31Å; E902-W906 PolarHBondContact O-N 2.85Å
903	I	65.8	Low	65.2	Low	0 Å²	0	72.4 Å²	72.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-70.3	-43.2	170.8	-68.9	-172.5	0	0	0	110.8	W856 L889 L892 A893 V898 R899 V900 W906 I907	W856-I903 HydrophobicContact CH2-CG1 4.18Å; W856-I903 HydrophobicContact CH2-CG2 4.36Å; W856-I903 HydrophobicContact CZ2-CD1 4.36Å; W856-I903 HydrophobicContact CZ2-CG1 4.22Å; W856-I903 HydrophobicContact CZ2-CG2 3.99Å; L889-I903 HydrophobicContact CD2-CG2 3.78Å; L892-I903 HydrophobicContact CB-CD1 3.8Å; L892-I903 HydrophobicContact CD2-CD1 4.26Å; L892-I903 HydrophobicContact CD2-CG2 4.06Å; L892-I903 HydrophobicContact CG-CD1 4.06Å; A893-I903 HydrophobicContact CB-CD1 4.04Å; A893-I903 VanDerWaalsContact N-CD1 3.35Å; V898-I903 HydrophobicContact CB-CD1 4.24Å; V898-I903 HydrophobicContact CB-CG1 3.95Å; V898-I903 HydrophobicContact CG1-CD1 4.46Å; V898-I903 HydrophobicContact CG1-CG1 3.63Å; R899-I903 PolarHBondContact O-N 2.71Å; V900-I903 PolarHBondContact O-N 2.82Å; I903-W906 PolarHBondContact O-N 2.6Å; I903-I907 HydrophobicContact CG2-CD1 3.88Å; I903-I907 HydrophobicContact CG2-CG1 4.42Å; I903-I907 WeakPolarHBondContact O-CB 3.47Å; I903-I907 VanDerWaalsContact O-CG1 3.3Å; I903-I907 WeakPolarHBondContact O-CG1 3.33Å; I903-I907 PolarHBondContact O-N 3.46Å
904	E	65.7	Low	65.4	Low	55 Å²	55	72 Å²	72	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-41.1	172.9	-80.2	-169	-147.7	0	0	111.3	L889 V900 I907 R908	L889-E904 HydrophobicContact CD1-CG 4.25Å; V900-E904 HydrophobicContact CG1-CG 4.34Å; V900-E904 VanDerWaalsContact O-CB 3.31Å; V900-E904 WeakPolarHBondContact O-CB 3.49Å; V900-E904 WeakPolarHBondContact O-CG 3.21Å; V900-E904 PolarHBondContact O-N 2.91Å; E904-I907 PolarHBondContact O-N 2.7Å; E904-R908 VanDerWaalsContact O-CB 3.26Å; E904-R908 WeakPolarHBondContact O-CB 3.42Å; E904-R908 WeakPolarHBondContact O-CG 3.26Å; E904-R908 PolarHBondContact O-N 3.41Å; E904-R908 IonicContact OE2-CZ 2.73Å; E904-R908 IonicContact OE2-NE 2.76Å; E904-R908 IonicContact OE2-NH2 3.69Å; E904-R908 PolarHBondContact OE2-NH2 3.47Å
905	Q	71.2	Confident	65.3	Low	116 Å²	116	68 Å²	68	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-39.9	172.5	-79	178.8	15.5	0	0	111.8	E901 R908 Q909	E901-Q905 VanDerWaalsContact O-CB 3.29Å; E901-Q905 WeakPolarHBondContact O-CB 3.46Å; E901-Q905 VanDerWaalsContact O-CG 3.22Å; E901-Q905 WeakPolarHBondContact O-CG 3.48Å; E901-Q905 PolarHBondContact O-N 2.72Å; Q905-R908 PolarHBondContact O-N 2.88Å; Q905-Q909 VanDerWaalsContact O-CB 3.27Å; Q905-Q909 WeakPolarHBondContact O-CB 3.16Å; Q905-Q909 VanDerWaalsContact O-CG 3.23Å; Q905-Q909 WeakPolarHBondContact O-CG 3.16Å; Q905-Q909 PolarHBondContact O-N 2.84Å
906	W	76.6	Confident	65.4	Low	22 Å²	22	66 Å²	66	8%	0.083	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-42.8	174.9	-177	86.4	0	0	0	111.8	W856 Q857 E860 R861 L864 E902 I903 Q909 Q910	W856-W906 HydrophobicContact CH2-CB 4.05Å; W856-W906 AromaticContact CH2-CD2 3.5Å; W856-W906 HydrophobicContact CH2-CD2 3.5Å; W856-W906 AromaticContact CH2-CE3 3.3Å; W856-W906 HydrophobicContact CH2-CE3 3.3Å; W856-W906 AromaticContact CH2-CG 3.82Å; W856-W906 HydrophobicContact CH2-CG 3.82Å; W856-W906 AromaticContact CH2-CZ3 3.96Å; W856-W906 HydrophobicContact CH2-CZ3 3.96Å; W856-W906 HydrophobicContact CZ2-CD2 4.42Å; W856-W906 AromaticContact CZ2-CE3 3.81Å; W856-W906 HydrophobicContact CZ2-CE3 3.81Å; W856-W906 HydrophobicContact CZ2-CZ3 4.1Å; W856-W906 HydrophobicContact CZ3-CB 4.46Å; W856-W906 AromaticContact CZ3-CD2 3.78Å; W856-W906 HydrophobicContact CZ3-CD2 3.78Å; W856-W906 AromaticContact CZ3-CE3 3.99Å; W856-W906 HydrophobicContact CZ3-CE3 3.99Å; W856-W906 AromaticContact CZ3-CG 3.97Å; W856-W906 HydrophobicContact CZ3-CG 3.97Å; Q857-W906 HydrophobicContact CB-CH2 4.05Å; Q857-W906 HydrophobicContact CB-CZ2 3.44Å; Q857-W906 VanDerWaalsContact CB-CZ2 3.44Å; Q857-W906 HydrophobicContact CG-CD2 4.36Å; Q857-W906 VanDerWaalsContact CG-CE2 3.45Å; Q857-W906 HydrophobicContact CG-CH2 4.22Å; Q857-W906 HydrophobicContact CG-CZ2 3.39Å; E860-W906 HydrophobicContact CB-CH2 4.14Å; E860-W906 HydrophobicContact CB-CZ3 3.81Å; E860-W906 HydrophobicContact CG-CZ3 3.87Å; R861-W906 HydrophobicContact CB-CH2 4.34Å; L864-W906 HydrophobicContact CD1-CZ3 4.41Å; E902-W906 WeakPolarHBondContact O-CB 3.31Å; E902-W906 PolarHBondContact O-N 2.85Å; I903-W906 PolarHBondContact O-N 2.6Å; W906-Q909 CarbonylContact O-C 3.55Å; W906-Q909 PolarHBondContact O-N 3.26Å; W906-Q910 HydrophobicContact CD2-CG 3.76Å; W906-Q910 VanDerWaalsContact CE2-CG 3.46Å; W906-Q910 VanDerWaalsContact CE2-NE2 3.31Å; W906-Q910 HydrophobicContact CE3-CG 3.85Å; W906-Q910 HydrophobicContact CH2-CG 3.47Å; W906-Q910 VanDerWaalsContact CH2-CG 3.47Å; W906-Q910 VanDerWaalsContact CZ2-CD 3.49Å; W906-Q910 HydrophobicContact CZ2-CG 3.31Å; W906-Q910 HydrophobicContact CZ3-CG 3.72Å; W906-Q910 WeakPolarHBondContact O-CG 3.27Å; W906-Q910 PolarHBondContact O-N 3.01Å
907	I	69.2	Low	65.7	Low	5 Å²	5	69.7 Å²	69.7	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-45.1	175.9	-70.9	172.8	0	0	0	110.2	I882 L889 I903 E904 Q909 Q910 I911	I882-I907 HydrophobicContact CD1-CG2 3.88Å; I882-I907 HydrophobicContact CG2-CD1 3.93Å; I882-I907 HydrophobicContact CG2-CG2 4.37Å; L889-I907 HydrophobicContact CD2-CD1 3.68Å; I903-I907 HydrophobicContact CG2-CD1 3.88Å; I903-I907 HydrophobicContact CG2-CG1 4.42Å; I903-I907 WeakPolarHBondContact O-CB 3.47Å; I903-I907 VanDerWaalsContact O-CG1 3.3Å; I903-I907 WeakPolarHBondContact O-CG1 3.33Å; I903-I907 PolarHBondContact O-N 3.46Å; E904-I907 PolarHBondContact O-N 2.7Å; I907-Q909 VanDerWaalsContact C-N 3.32Å; I907-Q909 PolarHBondContact O-N 3.12Å; I907-Q910 CarbonylContact O-C 3.58Å; I907-Q910 PolarHBondContact O-N 3.37Å; I907-Q910 VanDerWaalsContact O-N 3.11Å; I907-I911 HydrophobicContact CG2-CD1 3.84Å; I907-I911 HydrophobicContact CG2-CG1 4.4Å; I907-I911 WeakPolarHBondContact O-CB 3.48Å; I907-I911 WeakPolarHBondContact O-CG1 3.36Å; I907-I911 PolarHBondContact O-N 2.9Å
908	R	70.9	Confident	65.8	Low	146 Å²	146	63.6 Å²	63.6	55%	0.551	30%	0.3	S	S	*	.	H	α-helix	trans	-60.1	-40.3	172.7	-70.1	172	-156.7	-154.8	9.8	111	E904 Q905 I911 Q912	E904-R908 VanDerWaalsContact O-CB 3.26Å; E904-R908 WeakPolarHBondContact O-CB 3.42Å; E904-R908 WeakPolarHBondContact O-CG 3.26Å; E904-R908 PolarHBondContact O-N 3.41Å; E904-R908 IonicContact OE2-CZ 2.73Å; E904-R908 IonicContact OE2-NE 2.76Å; E904-R908 IonicContact OE2-NH2 3.69Å; E904-R908 PolarHBondContact OE2-NH2 3.47Å; Q905-R908 PolarHBondContact O-N 2.88Å; R908-I911 PolarHBondContact O-N 3.24Å; R908-Q912 VanDerWaalsContact O-CB 3.23Å; R908-Q912 WeakPolarHBondContact O-CB 3.44Å; R908-Q912 PolarHBondContact O-N 3.41Å
909	Q	77.1	Confident	65.8	Low	106 Å²	106	65.3 Å²	65.3	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-69.1	-27.1	173.5	-77.4	179	17	0	0	113.8	Q905 W906 I907 K913	Q905-Q909 VanDerWaalsContact O-CB 3.27Å; Q905-Q909 WeakPolarHBondContact O-CB 3.16Å; Q905-Q909 VanDerWaalsContact O-CG 3.23Å; Q905-Q909 WeakPolarHBondContact O-CG 3.16Å; Q905-Q909 PolarHBondContact O-N 2.84Å; W906-Q909 CarbonylContact O-C 3.55Å; W906-Q909 PolarHBondContact O-N 3.26Å; I907-Q909 VanDerWaalsContact C-N 3.32Å; I907-Q909 PolarHBondContact O-N 3.12Å; Q909-K913 VanDerWaalsContact O-CB 3.28Å; Q909-K913 WeakPolarHBondContact O-CB 3.47Å; Q909-K913 VanDerWaalsContact O-CG 3.29Å; Q909-K913 WeakPolarHBondContact O-CG 3.43Å; Q909-K913 PolarHBondContact O-N 2.78Å
910	Q	72.7	Confident	65.7	Low	19 Å²	19	58.7 Å²	58.7	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-79.7	-37.1	171.3	-68.5	-55.3	-43.5	0	0	111.7	L864 W906 I907 Q912 K913 L914	L864-Q910 HydrophobicContact CD1-CB 3.95Å; W906-Q910 HydrophobicContact CD2-CG 3.76Å; W906-Q910 VanDerWaalsContact CE2-CG 3.46Å; W906-Q910 VanDerWaalsContact CE2-NE2 3.31Å; W906-Q910 HydrophobicContact CE3-CG 3.85Å; W906-Q910 HydrophobicContact CH2-CG 3.47Å; W906-Q910 VanDerWaalsContact CH2-CG 3.47Å; W906-Q910 VanDerWaalsContact CZ2-CD 3.49Å; W906-Q910 HydrophobicContact CZ2-CG 3.31Å; W906-Q910 HydrophobicContact CZ3-CG 3.72Å; W906-Q910 WeakPolarHBondContact O-CG 3.27Å; W906-Q910 PolarHBondContact O-N 3.01Å; I907-Q910 CarbonylContact O-C 3.58Å; I907-Q910 PolarHBondContact O-N 3.37Å; I907-Q910 VanDerWaalsContact O-N 3.11Å; Q910-Q912 VanDerWaalsContact C-N 3.33Å; Q910-K913 CarbonylContact O-C 3.47Å; Q910-K913 PolarHBondContact O-N 2.88Å; Q910-L914 VanDerWaalsContact O-CB 3.27Å; Q910-L914 WeakPolarHBondContact O-CB 3.37Å; Q910-L914 WeakPolarHBondContact O-CG 3.37Å; Q910-L914 PolarHBondContact O-N 3Å
911	I	65.5	Low	65.4	Low	6 Å²	6	62.6 Å²	62.6	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-45.9	170.4	-69.8	169.7	0	0	0	108.7	I878 E879 I907 R908 L914 Q915 I920	I878-I911 HydrophobicContact CG2-CD1 4.29Å; E879-I911 HydrophobicContact CG-CD1 3.92Å; I907-I911 HydrophobicContact CG2-CD1 3.84Å; I907-I911 HydrophobicContact CG2-CG1 4.4Å; I907-I911 WeakPolarHBondContact O-CB 3.48Å; I907-I911 WeakPolarHBondContact O-CG1 3.36Å; I907-I911 PolarHBondContact O-N 2.9Å; R908-I911 PolarHBondContact O-N 3.24Å; I911-L914 PolarHBondContact O-N 3.49Å; I911-Q915 VanDerWaalsContact O-CG 3.27Å; I911-Q915 WeakPolarHBondContact O-CG 3.49Å; I911-Q915 PolarHBondContact O-N 3Å; I911-I920 HydrophobicContact CG2-CD1 4.03Å
912	Q	68.4	Low	64.4	Low	96 Å²	96	59 Å²	59	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-56.8	-54.1	170.8	-161.8	79.5	40.5	0	0	110.6	R908 Q910 L914 Q915 D916 Q923	R908-Q912 VanDerWaalsContact O-CB 3.23Å; R908-Q912 WeakPolarHBondContact O-CB 3.44Å; R908-Q912 PolarHBondContact O-N 3.41Å; Q910-Q912 VanDerWaalsContact C-N 3.33Å; Q912-L914 VanDerWaalsContact C-N 3.26Å; Q912-L914 PolarHBondContact O-N 2.83Å; Q912-Q915 CarbonylContact O-C 3.57Å; Q912-Q915 WeakPolarHBondContact O-CA 3.31Å; Q912-Q915 VanDerWaalsContact O-CB 3.28Å; Q912-Q915 WeakPolarHBondContact O-CB 3.18Å; Q912-Q915 PolarHBondContact O-N 3.16Å; Q912-D916 WeakPolarHBondContact O-CB 3.42Å; Q912-D916 PolarHBondContact O-N 2.89Å; Q912-Q923 VanDerWaalsContact NE2-NE2 3.1Å
913	K	72.7	Confident	63.6	Low	104 Å²	104	56.8 Å²	56.8	45%	0.452	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-28.8	177.5	-81.2	175.4	175.3	173.7	0	114.2	Q909 Q910 Q917	Q909-K913 VanDerWaalsContact O-CB 3.28Å; Q909-K913 WeakPolarHBondContact O-CB 3.47Å; Q909-K913 VanDerWaalsContact O-CG 3.29Å; Q909-K913 WeakPolarHBondContact O-CG 3.43Å; Q909-K913 PolarHBondContact O-N 2.78Å; Q910-K913 CarbonylContact O-C 3.47Å; Q910-K913 PolarHBondContact O-N 2.88Å; K913-Q917 WeakPolarHBondContact O-CB 3.3Å; K913-Q917 VanDerWaalsContact O-CD 3.32Å; K913-Q917 WeakPolarHBondContact O-CG 3.47Å; K913-Q917 PolarHBondContact O-N 3.25Å
914	L	65.9	Low	62.7	Low	3 Å²	3	63.1 Å²	63.1	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-76.8	-34.8	173.9	-72.4	167.5	0	0	0	111.2	L865 Q910 I911 Q912 G918 L919 I920	L865-L914 HydrophobicContact CD2-CD2 4.33Å; Q910-L914 VanDerWaalsContact O-CB 3.27Å; Q910-L914 WeakPolarHBondContact O-CB 3.37Å; Q910-L914 WeakPolarHBondContact O-CG 3.37Å; Q910-L914 PolarHBondContact O-N 3Å; I911-L914 PolarHBondContact O-N 3.49Å; Q912-L914 VanDerWaalsContact C-N 3.26Å; Q912-L914 PolarHBondContact O-N 2.83Å; L914-G918 PolarHBondContact O-N 3.13Å; L914-L919 HydrophobicContact CB-CB 4.47Å; L914-L919 HydrophobicContact CD2-CB 4.27Å; L914-L919 HydrophobicContact CD2-CD1 3.7Å; L914-L919 CarbonylContact O-C 3.53Å; L914-L919 WeakPolarHBondContact O-CA 3.36Å; L914-L919 WeakPolarHBondContact O-CB 3.3Å; L914-L919 PolarHBondContact O-N 2.96Å; L914-I920 HydrophobicContact CB-CD1 3.73Å; L914-I920 HydrophobicContact CB-CG1 4Å; L914-I920 PolarHBondContact O-N 3.48Å
915	Q	58	Low	61.7	Low	27 Å²	27	63.7 Å²	63.7	13%	0.126	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-51	167	-68.2	168.5	4.2	0	0	111.4	I911 Q912 Q917 G918 I920 Q923	I911-Q915 VanDerWaalsContact O-CG 3.27Å; I911-Q915 WeakPolarHBondContact O-CG 3.49Å; I911-Q915 PolarHBondContact O-N 3Å; Q912-Q915 CarbonylContact O-C 3.57Å; Q912-Q915 WeakPolarHBondContact O-CA 3.31Å; Q912-Q915 VanDerWaalsContact O-CB 3.28Å; Q912-Q915 WeakPolarHBondContact O-CB 3.18Å; Q912-Q915 PolarHBondContact O-N 3.16Å; Q915-Q917 VanDerWaalsContact C-N 3.28Å; Q915-Q917 PolarHBondContact O-N 2.78Å; Q915-G918 WeakPolarHBondContact O-CA 3.23Å; Q915-G918 PolarHBondContact O-N 3.49Å; Q915-I920 HydrophobicContact CB-CB 4.22Å; Q915-I920 HydrophobicContact CG-CB 3.56Å; Q915-I920 HydrophobicContact CG-CD1 4.25Å; Q915-I920 HydrophobicContact CG-CG1 4.4Å; Q915-I920 HydrophobicContact CG-CG2 3.56Å; Q915-Q923 HydrophobicContact CB-CB 3.66Å; Q915-Q923 HydrophobicContact CB-CG 3.97Å; Q915-Q923 HydrophobicContact CG-CB 3.8Å; Q915-Q923 HydrophobicContact CG-CG 4.27Å
916	D	65.8	Low	60.7	Low	96 Å²	96	64.2 Å²	64.2	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-32.2	-179.2	-51.4	-22.7	0	0	0	111.4	Q912 G918 Q923	Q912-D916 WeakPolarHBondContact O-CB 3.42Å; Q912-D916 PolarHBondContact O-N 2.89Å; D916-G918 PolarHBondContact O-N 2.94Å; D916-Q923 PolarHBondContact OD1-NE2 2.62Å
917	Q	63.4	Low	59.6	Low	109 Å²	109	67 Å²	67	51%	0.509	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	3.4	170.8	-74.4	167.8	15.3	0	0	113.6	K913 Q915 L919	K913-Q917 WeakPolarHBondContact O-CB 3.3Å; K913-Q917 VanDerWaalsContact O-CD 3.32Å; K913-Q917 WeakPolarHBondContact O-CG 3.47Å; K913-Q917 PolarHBondContact O-N 3.25Å; Q915-Q917 VanDerWaalsContact C-N 3.28Å; Q915-Q917 PolarHBondContact O-N 2.78Å; Q917-L919 VanDerWaalsContact C-N 3.25Å; Q917-L919 HydrophobicContact CB-CD1 4.38Å; Q917-L919 PolarHBondContact O-N 3.04Å
918	G	51.4	Low	58.9	Low	42 Å²	42	68.2 Å²	68.2	43%	0.433	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	7.6	178	0	0	0	0	0	115.3	L914 Q915 D916	L914-G918 PolarHBondContact O-N 3.13Å; Q915-G918 WeakPolarHBondContact O-CA 3.23Å; Q915-G918 PolarHBondContact O-N 3.49Å; D916-G918 PolarHBondContact O-N 2.94Å
919	L	56.9	Low	57.9	Low	53 Å²	53	66 Å²	66	28%	0.277	32%	0.323	S	S	.	.			trans	-88	4	177.4	-64.7	165	0	0	0	112.5	L914 Q917 Q2136 Q2137	L914-L919 HydrophobicContact CB-CB 4.47Å; L914-L919 HydrophobicContact CD2-CB 4.27Å; L914-L919 HydrophobicContact CD2-CD1 3.7Å; L914-L919 CarbonylContact O-C 3.53Å; L914-L919 WeakPolarHBondContact O-CA 3.36Å; L914-L919 WeakPolarHBondContact O-CB 3.3Å; L914-L919 PolarHBondContact O-N 2.96Å; Q917-L919 VanDerWaalsContact C-N 3.25Å; Q917-L919 HydrophobicContact CB-CD1 4.38Å; Q917-L919 PolarHBondContact O-N 3.04Å; L919-Q2136 CarbonylContact C-O 3.53Å; L919-Q2136 CarbonylContact O-C 3.58Å; L919-Q2136 PolarHBondContact O-N 2.9Å; L919-Q2136 VanDerWaalsContact O-N 3.07Å; L919-Q2137 WeakPolarHBondContact CD2-O 3.34Å
920	I	52.1	Low	56.8	Low	6 Å²	6	66.4 Å²	66.4	3%	0.031	33%	0.327	C	S	.	.			trans	-136.1	101.2	171.8	-62.6	-178.9	0	0	0	110	I875 I911 L914 Q915 M922 Q923 Q2135	I875-I920 HydrophobicContact CD1-CG2 3.62Å; I875-I920 HydrophobicContact CG1-CG2 3.89Å; I911-I920 HydrophobicContact CG2-CD1 4.03Å; L914-I920 HydrophobicContact CB-CD1 3.73Å; L914-I920 HydrophobicContact CB-CG1 4Å; L914-I920 PolarHBondContact O-N 3.48Å; Q915-I920 HydrophobicContact CB-CB 4.22Å; Q915-I920 HydrophobicContact CG-CB 3.56Å; Q915-I920 HydrophobicContact CG-CD1 4.25Å; Q915-I920 HydrophobicContact CG-CG1 4.4Å; Q915-I920 HydrophobicContact CG-CG2 3.56Å; I920-M922 VanDerWaalsContact C-N 3.28Å; I920-M922 HydrophobicContact CG2-CB 4.35Å; I920-M922 PolarHBondContact O-N 3.3Å; I920-Q923 PolarHBondContact O-N 3Å; I920-Q2135 VanDerWaalsContact CA-O 3.25Å; I920-Q2135 WeakPolarHBondContact CA-O 3.18Å; I920-Q2135 WeakPolarHBondContact CG2-O 3.35Å
921	E	54.4	Low	56	Low	109 Å²	109	71.2 Å²	71.2	51%	0.509	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.1	-168.8	-61.1	-155.7	124	0	0	113.9	Q923 K924 L925	E921-Q923 PolarHBondContact O-N 3.28Å; E921-Q923 VanDerWaalsContact O-N 3.09Å; E921-K924 WeakPolarHBondContact O-CB 3.46Å; E921-K924 PolarHBondContact O-N 2.68Å; E921-L925 PolarHBondContact O-N 2.84Å
922	M	45	Very low	55.4	Low	41 Å²	41	73.8 Å²	73.8	20%	0.202	36%	0.359	C	S	.	.	H	α-helix	trans	-53.9	-28.9	177.9	-105.3	-89.1	-80.2	0	0	113.9	I875 I920 K924 L925 K926 Q2134	I875-M922 HydrophobicContact CB-CE 4.1Å; I875-M922 HydrophobicContact CD1-CB 3.4Å; I875-M922 HydrophobicContact CD1-CE 3.99Å; I875-M922 HydrophobicContact CD1-CG 4.09Å; I875-M922 HydrophobicContact CG1-CB 3.97Å; I875-M922 HydrophobicContact CG1-CE 4.22Å; I875-M922 HydrophobicContact CG1-CG 4.24Å; I920-M922 VanDerWaalsContact C-N 3.28Å; I920-M922 HydrophobicContact CG2-CB 4.35Å; I920-M922 PolarHBondContact O-N 3.3Å; M922-K924 VanDerWaalsContact C-N 3.35Å; M922-L925 WeakPolarHBondContact O-CB 3.31Å; M922-L925 PolarHBondContact O-N 3.37Å; M922-K926 PolarHBondContact O-N 3.23Å; M922-Q2134 WeakPolarHBondContact CG-O 3.3Å
923	Q	46.6	Very low	54.5	Low	32 Å²	32	75.6 Å²	75.6	15%	0.15	36%	0.362	C	S	.	.	H	α-helix	trans	-70.5	-31	177.3	-153.3	-157.3	69.6	0	0	111.9	Q912 Q915 D916 I920 E921 L925 K926 N927	Q912-Q923 VanDerWaalsContact NE2-NE2 3.1Å; Q915-Q923 HydrophobicContact CB-CB 3.66Å; Q915-Q923 HydrophobicContact CB-CG 3.97Å; Q915-Q923 HydrophobicContact CG-CB 3.8Å; Q915-Q923 HydrophobicContact CG-CG 4.27Å; D916-Q923 PolarHBondContact OD1-NE2 2.62Å; I920-Q923 PolarHBondContact O-N 3Å; E921-Q923 PolarHBondContact O-N 3.28Å; E921-Q923 VanDerWaalsContact O-N 3.09Å; Q923-L925 VanDerWaalsContact C-N 3.32Å; Q923-L925 PolarHBondContact O-N 3.15Å; Q923-K926 PolarHBondContact O-N 3.43Å; Q923-N927 VanDerWaalsContact O-CB 3.23Å; Q923-N927 WeakPolarHBondContact O-CB 3.48Å; Q923-N927 PolarHBondContact O-N 3.26Å; Q923-N927 PolarHBondContact O-OD1 3.42Å
924	K	47	Very low	53.4	Low	132 Å²	132	72 Å²	72	57%	0.574	35%	0.354	S	S	*	.	H	α-helix	trans	-64.6	-38	170	-67.7	177.3	-178.3	165.6	0	111.3	E921 M922 W928	E921-K924 WeakPolarHBondContact O-CB 3.46Å; E921-K924 PolarHBondContact O-N 2.68Å; M922-K924 VanDerWaalsContact C-N 3.35Å; K924-W928 WeakPolarHBondContact O-CB 3.07Å; K924-W928 PolarHBondContact O-N 2.91Å
925	L	45.6	Very low	52.7	Low	67 Å²	67	76.3 Å²	76.3	35%	0.351	38%	0.377	S	S	.	.	H	α-helix	trans	-66.9	-41.2	175.6	-112.2	166.4	0	0	0	112.3	E921 M922 Q923 W928 Q929 V970	E921-L925 PolarHBondContact O-N 2.84Å; M922-L925 WeakPolarHBondContact O-CB 3.31Å; M922-L925 PolarHBondContact O-N 3.37Å; Q923-L925 VanDerWaalsContact C-N 3.32Å; Q923-L925 PolarHBondContact O-N 3.15Å; L925-W928 HydrophobicContact CD2-CE3 4.18Å; L925-W928 PolarHBondContact O-N 3.43Å; L925-Q929 WeakPolarHBondContact O-CG 3.21Å; L925-Q929 PolarHBondContact O-N 2.79Å; L925-V970 HydrophobicContact CD2-CG2 4.12Å
926	K	50	Low	52.2	Low	127 Å²	127	77.4 Å²	77.4	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-74	-37.1	179.3	-148.4	166.1	-170.1	167.9	0	112.3	M922 Q923 Q929 L930	M922-K926 PolarHBondContact O-N 3.23Å; Q923-K926 PolarHBondContact O-N 3.43Å; K926-Q929 PolarHBondContact O-N 3.29Å; K926-L930 PolarHBondContact O-N 3.41Å
927	N	53.8	Low	51.3	Low	80 Å²	80	75.9 Å²	75.9	43%	0.428	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-45.2	170	-68.8	-6	0	0	0	110.4	Q923 Q929 L930 E931	Q923-N927 VanDerWaalsContact O-CB 3.23Å; Q923-N927 WeakPolarHBondContact O-CB 3.48Å; Q923-N927 PolarHBondContact O-N 3.26Å; Q923-N927 PolarHBondContact O-OD1 3.42Å; N927-Q929 VanDerWaalsContact C-N 3.28Å; N927-Q929 PolarHBondContact O-N 2.74Å; N927-L930 CarbonylContact O-C 3.47Å; N927-L930 PolarHBondContact O-N 2.87Å; N927-L930 VanDerWaalsContact O-N 3.1Å; N927-E931 WeakPolarHBondContact O-CB 3.23Å; N927-E931 PolarHBondContact O-N 2.8Å
928	W	53.5	Low	50.7	Low	32 Å²	32	74.9 Å²	74.9	12%	0.121	38%	0.376	C	S	.	.	H	α-helix	trans	-58.2	-37.6	173.6	-179.7	80.9	0	0	0	112.2	K924 L925 W932 V970	K924-W928 WeakPolarHBondContact O-CB 3.07Å; K924-W928 PolarHBondContact O-N 2.91Å; L925-W928 HydrophobicContact CD2-CE3 4.18Å; L925-W928 PolarHBondContact O-N 3.43Å; W928-W932 AromaticContact CD1-CD1 3.9Å; W928-W932 AromaticContact CD2-CD1 3.98Å; W928-W932 AromaticContact CE2-CD1 3.54Å; W928-W932 AromaticContact CE2-NE1 3.61Å; W928-W932 AromaticContact CZ2-CD1 3.96Å; W928-W932 AromaticContact CZ2-NE1 3.74Å; W928-W932 AromaticContact NE1-CD1 3.5Å; W928-W932 AromaticContact NE1-NE1 3.45Å; W928-W932 WeakPolarHBondContact O-CB 3.37Å; W928-W932 PolarHBondContact O-N 3.5Å; W928-V970 HydrophobicContact CZ3-CG2 4.47Å
929	Q	51.1	Low	50.5	Low	100 Å²	100	74.7 Å²	74.7	47%	0.467	36%	0.364	S	S	.	.	H	α-helix	trans	-68.9	-39.9	172.5	-77.7	-174.8	1.3	0	0	113.7	L925 K926 N927 R933	L925-Q929 WeakPolarHBondContact O-CG 3.21Å; L925-Q929 PolarHBondContact O-N 2.79Å; K926-Q929 PolarHBondContact O-N 3.29Å; N927-Q929 VanDerWaalsContact C-N 3.28Å; N927-Q929 PolarHBondContact O-N 2.74Å; Q929-R933 WeakPolarHBondContact O-CB 3.02Å; Q929-R933 VanDerWaalsContact O-CG 3.31Å; Q929-R933 WeakPolarHBondContact O-CG 3.31Å; Q929-R933 PolarHBondContact O-N 3.43Å
930	L	53	Low	50	Low	114 Å²	114	73.8 Å²	73.8	60%	0.597	36%	0.361	S	S	*	.	H	α-helix	trans	-70.4	-38	176.4	-79.2	168.2	0	0	0	111.9	K926 N927 R933 G934	K926-L930 PolarHBondContact O-N 3.41Å; N927-L930 CarbonylContact O-C 3.47Å; N927-L930 PolarHBondContact O-N 2.87Å; N927-L930 VanDerWaalsContact O-N 3.1Å; L930-R933 PolarHBondContact O-N 2.85Å; L930-G934 PolarHBondContact O-N 3.46Å
931	E	55.4	Low	49.8	Very low	120 Å²	120	79 Å²	79	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-70	-36.4	174	-173.3	172.6	-124.9	0	0	111	N927 N935	N927-E931 WeakPolarHBondContact O-CB 3.23Å; N927-E931 PolarHBondContact O-N 2.8Å; E931-N935 WeakPolarHBondContact O-CB 3.22Å; E931-N935 VanDerWaalsContact O-CG 3.25Å; E931-N935 PolarHBondContact O-N 3.29Å; E931-N935 PolarHBondContact O-ND2 3.31Å
932	W	54.1	Low	49.8	Very low	59 Å²	59	80.4 Å²	80.4	22%	0.223	40%	0.396	C	S	.	.	H	α-helix	trans	-66.1	-40.9	168.6	-102.4	73.5	0	0	0	112.6	W928 L936 W953 L961	W928-W932 AromaticContact CD1-CD1 3.9Å; W928-W932 AromaticContact CD2-CD1 3.98Å; W928-W932 AromaticContact CE2-CD1 3.54Å; W928-W932 AromaticContact CE2-NE1 3.61Å; W928-W932 AromaticContact CZ2-CD1 3.96Å; W928-W932 AromaticContact CZ2-NE1 3.74Å; W928-W932 AromaticContact NE1-CD1 3.5Å; W928-W932 AromaticContact NE1-NE1 3.45Å; W928-W932 WeakPolarHBondContact O-CB 3.37Å; W928-W932 PolarHBondContact O-N 3.5Å; W932-L936 HydrophobicContact CE3-CD1 3.82Å; W932-L936 HydrophobicContact CE3-CG 4.2Å; W932-L936 HydrophobicContact CZ3-CD1 4.22Å; W932-L936 HydrophobicContact CZ3-CG 4.43Å; W932-L936 WeakPolarHBondContact O-CB 3.41Å; W932-L936 WeakPolarHBondContact O-CG 3.26Å; W932-L936 PolarHBondContact O-N 2.85Å; W932-W953 HydrophobicContact CH2-CH2 4.39Å; W932-L961 HydrophobicContact CH2-CD1 3.85Å; W932-L961 HydrophobicContact CH2-CD2 3.54Å; W932-L961 HydrophobicContact CH2-CG 3.79Å; W932-L961 HydrophobicContact CZ2-CD1 4.5Å; W932-L961 HydrophobicContact CZ2-CD2 3.4Å; W932-L961 VanDerWaalsContact CZ2-CD2 3.4Å; W932-L961 HydrophobicContact CZ2-CG 3.94Å; W932-L961 HydrophobicContact CZ3-CD2 4.37Å
933	R	49.3	Very low	49.9	Very low	135 Å²	135	85.7 Å²	85.7	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-67.9	-42.6	175.7	-76.7	175.9	175.5	-164.6	-1.9	111.4	Q929 L930 L936 T937	Q929-R933 WeakPolarHBondContact O-CB 3.02Å; Q929-R933 VanDerWaalsContact O-CG 3.31Å; Q929-R933 WeakPolarHBondContact O-CG 3.31Å; Q929-R933 PolarHBondContact O-N 3.43Å; L930-R933 PolarHBondContact O-N 2.85Å; R933-L936 PolarHBondContact O-N 3.47Å; R933-T937 VanDerWaalsContact O-CB 3.32Å; R933-T937 WeakPolarHBondContact O-CB 3.23Å; R933-T937 PolarHBondContact O-N 3.08Å; R933-T937 PolarHBondContact O-OG1 2.93Å
934	G	48	Very low	49.6	Very low	27 Å²	27	90.9 Å²	90.9	28%	0.278	44%	0.442	S	S	.	.	H	α-helix	trans	-61.2	-51.8	174.2	0	0	0	0	0	111.9	L930 L936 T937 N938	L930-G934 PolarHBondContact O-N 3.46Å; G934-L936 PolarHBondContact O-N 2.76Å; G934-T937 PolarHBondContact O-N 2.9Å; G934-N938 WeakPolarHBondContact O-CB 3.28Å; G934-N938 PolarHBondContact O-N 3.44Å; G934-N938 PolarHBondContact O-OD1 2.8Å
935	N	53.1	Low	49.7	Very low	94 Å²	94	87.4 Å²	87.4	50%	0.503	43%	0.428	S	S	.	.	H	α-helix	trans	-64.2	-38.8	177	-74.1	-41.3	0	0	0	112.6	E931 M939	E931-N935 WeakPolarHBondContact O-CB 3.22Å; E931-N935 VanDerWaalsContact O-CG 3.25Å; E931-N935 PolarHBondContact O-N 3.29Å; E931-N935 PolarHBondContact O-ND2 3.31Å; N935-M939 WeakPolarHBondContact O-CB 3.47Å; N935-M939 PolarHBondContact O-N 2.84Å
936	L	46.9	Very low	49.9	Very low	51 Å²	51	87.9 Å²	87.9	27%	0.267	43%	0.433	S	S	.	.	H	α-helix	trans	-63.8	-40.5	172	-82.9	168.1	0	0	0	112.1	W932 R933 G934 V940 F950 W953	W932-L936 HydrophobicContact CE3-CD1 3.82Å; W932-L936 HydrophobicContact CE3-CG 4.2Å; W932-L936 HydrophobicContact CZ3-CD1 4.22Å; W932-L936 HydrophobicContact CZ3-CG 4.43Å; W932-L936 WeakPolarHBondContact O-CB 3.41Å; W932-L936 WeakPolarHBondContact O-CG 3.26Å; W932-L936 PolarHBondContact O-N 2.85Å; R933-L936 PolarHBondContact O-N 3.47Å; G934-L936 PolarHBondContact O-N 2.76Å; L936-V940 VanDerWaalsContact O-CB 3.25Å; L936-V940 WeakPolarHBondContact O-CB 3.47Å; L936-V940 WeakPolarHBondContact O-CG2 3.48Å; L936-V940 PolarHBondContact O-N 3.45Å; L936-F950 HydrophobicContact CD2-CE2 4.19Å; L936-F950 HydrophobicContact CD2-CZ 4.34Å; L936-W953 HydrophobicContact CD2-CH2 4.15Å; L936-W953 HydrophobicContact CD2-CZ3 3.96Å
937	T	47.2	Very low	49.5	Very low	64 Å²	64	84.9 Å²	84.9	39%	0.393	43%	0.426	S	S	.	.	H	α-helix	trans	-69.1	-52.2	-179.2	-54	0	0	0	0	110.2	R933 G934 M939 V940 Q941	R933-T937 VanDerWaalsContact O-CB 3.32Å; R933-T937 WeakPolarHBondContact O-CB 3.23Å; R933-T937 PolarHBondContact O-N 3.08Å; R933-T937 PolarHBondContact O-OG1 2.93Å; G934-T937 PolarHBondContact O-N 2.9Å; T937-M939 PolarHBondContact O-N 2.82Å; T937-V940 PolarHBondContact O-N 2.84Å; T937-Q941 WeakPolarHBondContact O-CB 3.49Å; T937-Q941 WeakPolarHBondContact O-CG 3.48Å; T937-Q941 PolarHBondContact O-N 2.87Å
938	N	50.4	Low	49.3	Very low	87 Å²	87	87.2 Å²	87.2	47%	0.465	43%	0.434	S	S	.	.	H	α-helix	trans	-60.1	-46.4	177.8	-64.2	0.8	0	0	0	111.1	G934 V940 Q941 D942	G934-N938 WeakPolarHBondContact O-CB 3.28Å; G934-N938 PolarHBondContact O-N 3.44Å; G934-N938 PolarHBondContact O-OD1 2.8Å; N938-V940 VanDerWaalsContact C-N 3.29Å; N938-V940 PolarHBondContact O-N 3.22Å; N938-Q941 PolarHBondContact O-N 2.87Å; N938-Q941 VanDerWaalsContact O-N 3.14Å; N938-D942 VanDerWaalsContact O-CB 3.32Å; N938-D942 WeakPolarHBondContact O-CB 3.35Å; N938-D942 PolarHBondContact O-N 2.9Å
939	M	47.9	Very low	49.7	Very low	39 Å²	39	90.2 Å²	90.2	19%	0.192	45%	0.449	C	S	.	.	H	α-helix	trans	-72.1	-19.4	-178.3	-163.5	-164.8	61.1	0	0	113.5	N935 T937 F945 W953	N935-M939 WeakPolarHBondContact O-CB 3.47Å; N935-M939 PolarHBondContact O-N 2.84Å; T937-M939 PolarHBondContact O-N 2.82Å; M939-F945 HydrophobicContact CE-CE2 4.06Å; M939-F945 HydrophobicContact CG-CE2 4.09Å; M939-F945 HydrophobicContact SD-CE2 4.19Å; M939-W953 HydrophobicContact CE-CD2 3.87Å; M939-W953 HydrophobicContact CE-CE3 3.81Å; M939-W953 HydrophobicContact CE-CH2 3.51Å; M939-W953 HydrophobicContact CE-CZ2 3.57Å; M939-W953 HydrophobicContact CE-CZ3 3.63Å; M939-W953 HydrophobicContact SD-CH2 4.48Å; M939-W953 HydrophobicContact SD-CZ2 4.01Å
940	V	45.9	Very low	49.5	Very low	33 Å²	33	88.1 Å²	88.1	20%	0.2	44%	0.439	C	S	.	.	H	α-helix	trans	-86.8	-25.6	169.7	170.5	0	0	0	0	112	L936 T937 N938 F950 W1001	L936-V940 VanDerWaalsContact O-CB 3.25Å; L936-V940 WeakPolarHBondContact O-CB 3.47Å; L936-V940 WeakPolarHBondContact O-CG2 3.48Å; L936-V940 PolarHBondContact O-N 3.45Å; T937-V940 PolarHBondContact O-N 2.84Å; N938-V940 VanDerWaalsContact C-N 3.29Å; N938-V940 PolarHBondContact O-N 3.22Å; V940-F950 HydrophobicContact CG2-CE2 4.3Å; V940-W1001 HydrophobicContact CG1-CB 4.48Å; V940-W1001 HydrophobicContact CG1-CG 4.22Å
941	Q	47.8	Very low	49.6	Very low	117 Å²	117	88 Å²	88	55%	0.547	44%	0.435	S	S	.	.	H	α-helix	trans	-81.6	-34.9	173.7	-72.3	178.8	-6.2	0	0	112.8	T937 N938	T937-Q941 WeakPolarHBondContact O-CB 3.49Å; T937-Q941 WeakPolarHBondContact O-CG 3.48Å; T937-Q941 PolarHBondContact O-N 2.87Å; N938-Q941 PolarHBondContact O-N 2.87Å; N938-Q941 VanDerWaalsContact O-N 3.14Å
942	D	54.1	Low	50.1	Low	138 Å²	138	87.6 Å²	87.6	74%	0.738	43%	0.431	S	S	*	.	S	Bend	trans	-82.3	-11.3	179.5	-77.6	-25.9	0	0	0	114.3	N938	N938-D942 VanDerWaalsContact O-CB 3.32Å; N938-D942 WeakPolarHBondContact O-CB 3.35Å; N938-D942 PolarHBondContact O-N 2.9Å
943	R	47.1	Very low	50.6	Low	151 Å²	151	86.9 Å²	86.9	57%	0.57	43%	0.428	S	S	*	.			trans	-143.5	123.3	-176.1	-63.9	-176	176.8	169.7	3.1	112.5	F945	R943-F945 HydrophobicContact CB-CD2 3.64Å; R943-F945 HydrophobicContact CB-CE2 3.76Å; R943-F945 HydrophobicContact CB-CG 4.45Å; R943-F945 HydrophobicContact CG-CE2 4.29Å; R943-F945 PolarHBondContact O-N 3.2Å
944	D	41.2	Very low	50.8	Low	141 Å²	141	82.7 Å²	82.7	75%	0.754	42%	0.416	S	S	*	.			trans	-67.4	60.4	169.4	-68.2	-54.5	0	0	0	112.4	T946 Q1002	D944-T946 PolarHBondContact O-N 2.84Å; D944-Q1002 PolarHBondContact OD1-NE2 2.83Å
945	F	49.2	Very low	51.6	Low	60 Å²	60	85.8 Å²	85.8	26%	0.263	43%	0.426	S	S	.	.			trans	-65.2	115.6	176.2	-86.8	-70.1	0	0	0	110.6	M939 R943 E949 F950 W953	M939-F945 HydrophobicContact CE-CE2 4.06Å; M939-F945 HydrophobicContact CG-CE2 4.09Å; M939-F945 HydrophobicContact SD-CE2 4.19Å; R943-F945 HydrophobicContact CB-CD2 3.64Å; R943-F945 HydrophobicContact CB-CE2 3.76Å; R943-F945 HydrophobicContact CB-CG 4.45Å; R943-F945 HydrophobicContact CG-CE2 4.29Å; R943-F945 PolarHBondContact O-N 3.2Å; F945-E949 HydrophobicContact CD1-CB 3.84Å; F945-E949 HydrophobicContact CE1-CB 4.49Å; F945-F950 HydrophobicContact CB-CB 4.31Å; F945-W953 HydrophobicContact CE1-CB 4.44Å
946	T	50	Low	52.2	Low	77 Å²	77	89.1 Å²	89.1	47%	0.472	44%	0.436	S	S	.	.			trans	-64.9	154.5	165.9	67.7	0	0	0	0	110.1	D944 E948 E949 F950	D944-T946 PolarHBondContact O-N 2.84Å; T946-E948 PolarHBondContact O-N 2.76Å; T946-E948 VanDerWaalsContact O-N 3.15Å; T946-E949 WeakPolarHBondContact CB-OE2 3.36Å; T946-E949 WeakPolarHBondContact CG2-OE2 3.4Å; T946-E949 PolarHBondContact N-OE2 3.06Å; T946-E949 CarbonylContact O-C 3.46Å; T946-E949 WeakPolarHBondContact O-CA 3.48Å; T946-E949 PolarHBondContact O-N 2.99Å; T946-E949 VanDerWaalsContact OG1-CD 3.29Å; T946-E949 WeakPolarHBondContact OG1-CG 3.37Å; T946-E949 PolarHBondContact OG1-OE2 2.75Å; T946-F950 PolarHBondContact O-N 3.1Å
947	V	39.9	Very low	53	Low	64 Å²	64	88.4 Å²	88.4	39%	0.388	43%	0.432	S	S	.	.	H	α-helix	trans	-55.2	-37.6	-178.3	-162.8	0	0	0	0	112.4	E949 H951 T999	V947-E949 VanDerWaalsContact C-N 3.32Å; V947-H951 VanDerWaalsContact O-CB 3.23Å; V947-H951 WeakPolarHBondContact O-CB 3.49Å; V947-H951 PolarHBondContact O-N 3.42Å; V947-T999 HydrophobicContact CG1-CG2 4.31Å; V947-T999 VanDerWaalsContact CG2-CA 3.47Å; V947-T999 HydrophobicContact CG2-CG2 4.14Å; V947-T999 WeakPolarHBondContact CG2-O 3.46Å
948	E	50.4	Low	53.5	Low	129 Å²	129	90 Å²	90	60%	0.603	43%	0.431	S	S	*	.	H	α-helix	trans	-65.3	-36.2	175	-78.3	-159.8	-164.9	0	0	112.3	T946 K952	T946-E948 PolarHBondContact O-N 2.76Å; T946-E948 VanDerWaalsContact O-N 3.15Å; E948-K952 VanDerWaalsContact O-CB 3.22Å; E948-K952 WeakPolarHBondContact O-CB 3.27Å; E948-K952 WeakPolarHBondContact O-CD 3.48Å; E948-K952 WeakPolarHBondContact O-CG 3.34Å; E948-K952 PolarHBondContact O-N 2.8Å; E948-K952 IonicContact OE2-NZ 2.72Å; E948-K952 PolarHBondContact OE2-NZ 2.99Å
949	E	60.8	Low	54	Low	94 Å²	94	93.3 Å²	93.3	44%	0.439	44%	0.444	S	S	.	.	H	α-helix	trans	-78.7	-37.5	179.3	-67.7	166.3	131.1	0	0	111.7	F945 T946 V947 H951 K952 W953	F945-E949 HydrophobicContact CD1-CB 3.84Å; F945-E949 HydrophobicContact CE1-CB 4.49Å; T946-E949 WeakPolarHBondContact CB-OE2 3.36Å; T946-E949 WeakPolarHBondContact CG2-OE2 3.4Å; T946-E949 PolarHBondContact N-OE2 3.06Å; T946-E949 CarbonylContact O-C 3.46Å; T946-E949 WeakPolarHBondContact O-CA 3.48Å; T946-E949 PolarHBondContact O-N 2.99Å; T946-E949 VanDerWaalsContact OG1-CD 3.29Å; T946-E949 WeakPolarHBondContact OG1-CG 3.37Å; T946-E949 PolarHBondContact OG1-OE2 2.75Å; V947-E949 VanDerWaalsContact C-N 3.32Å; E949-H951 VanDerWaalsContact C-N 3.34Å; E949-K952 PolarHBondContact O-N 3.45Å; E949-W953 WeakPolarHBondContact O-CB 3.49Å; E949-W953 PolarHBondContact O-N 3.01Å
950	F	48.6	Very low	54.7	Low	57 Å²	57	97 Å²	97	25%	0.25	46%	0.46	C	S	.	.	H	α-helix	trans	-61.4	-41.9	169.5	-174.8	-108.4	0	0	0	111.3	L936 V940 F945 T946 W953 L954	L936-F950 HydrophobicContact CD2-CE2 4.19Å; L936-F950 HydrophobicContact CD2-CZ 4.34Å; V940-F950 HydrophobicContact CG2-CE2 4.3Å; F945-F950 HydrophobicContact CB-CB 4.31Å; T946-F950 PolarHBondContact O-N 3.1Å; F950-W953 HydrophobicContact CD2-CE3 4.12Å; F950-W953 HydrophobicContact CE2-CE3 4.05Å; F950-W953 HydrophobicContact CE2-CZ3 4.02Å; F950-W953 PolarHBondContact O-N 3.33Å; F950-L954 HydrophobicContact CD1-CD1 3.98Å; F950-L954 HydrophobicContact CE1-CD1 3.51Å; F950-L954 HydrophobicContact CZ-CD1 3.93Å; F950-L954 WeakPolarHBondContact O-CB 3.35Å; F950-L954 PolarHBondContact O-N 3.42Å
951	H	54.6	Low	55.1	Low	112 Å²	112	95.9 Å²	95.9	52%	0.519	45%	0.453	S	S	.	.	H	α-helix	trans	-72.1	-37.6	176.1	-161.4	68.3	0	0	0	112.4	V947 E949 W953 L955	V947-H951 VanDerWaalsContact O-CB 3.23Å; V947-H951 WeakPolarHBondContact O-CB 3.49Å; V947-H951 PolarHBondContact O-N 3.42Å; E949-H951 VanDerWaalsContact C-N 3.34Å; H951-W953 VanDerWaalsContact C-N 3.3Å; H951-W953 PolarHBondContact O-N 2.99Å; H951-L955 VanDerWaalsContact O-CB 3.31Å; H951-L955 WeakPolarHBondContact O-CB 3.4Å; H951-L955 WeakPolarHBondContact O-CG 3.19Å; H951-L955 PolarHBondContact O-N 2.76Å
952	K	65.5	Low	55.7	Low	110 Å²	110	95.3 Å²	95.3	48%	0.478	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-31.3	171	-74.4	160	-162.4	161	0	112.2	E948 E949 K956	E948-K952 VanDerWaalsContact O-CB 3.22Å; E948-K952 WeakPolarHBondContact O-CB 3.27Å; E948-K952 WeakPolarHBondContact O-CD 3.48Å; E948-K952 WeakPolarHBondContact O-CG 3.34Å; E948-K952 PolarHBondContact O-N 2.8Å; E948-K952 IonicContact OE2-NZ 2.72Å; E948-K952 PolarHBondContact OE2-NZ 2.99Å; E949-K952 PolarHBondContact O-N 3.45Å; K952-K956 WeakPolarHBondContact O-CB 3.32Å; K952-K956 PolarHBondContact O-N 3.15Å
953	W	63.9	Low	56.3	Low	44 Å²	44	91.7 Å²	91.7	17%	0.167	44%	0.436	C	S	.	.	H	α-helix	trans	-70.4	-53.3	173.8	175.1	68.3	0	0	0	110.3	W932 L936 M939 F945 E949 F950 H951 L955 K956 D957	W932-W953 HydrophobicContact CH2-CH2 4.39Å; L936-W953 HydrophobicContact CD2-CH2 4.15Å; L936-W953 HydrophobicContact CD2-CZ3 3.96Å; M939-W953 HydrophobicContact CE-CD2 3.87Å; M939-W953 HydrophobicContact CE-CE3 3.81Å; M939-W953 HydrophobicContact CE-CH2 3.51Å; M939-W953 HydrophobicContact CE-CZ2 3.57Å; M939-W953 HydrophobicContact CE-CZ3 3.63Å; M939-W953 HydrophobicContact SD-CH2 4.48Å; M939-W953 HydrophobicContact SD-CZ2 4.01Å; F945-W953 HydrophobicContact CE1-CB 4.44Å; E949-W953 WeakPolarHBondContact O-CB 3.49Å; E949-W953 PolarHBondContact O-N 3.01Å; F950-W953 HydrophobicContact CD2-CE3 4.12Å; F950-W953 HydrophobicContact CE2-CE3 4.05Å; F950-W953 HydrophobicContact CE2-CZ3 4.02Å; F950-W953 PolarHBondContact O-N 3.33Å; H951-W953 VanDerWaalsContact C-N 3.3Å; H951-W953 PolarHBondContact O-N 2.99Å; W953-L955 PolarHBondContact O-N 3.44Å; W953-L955 VanDerWaalsContact O-N 3.14Å; W953-K956 PolarHBondContact O-N 2.89Å; W953-D957 VanDerWaalsContact CE2-OD2 3.25Å; W953-D957 HydrophobicContact CZ2-CB 4.45Å; W953-D957 WeakPolarHBondContact CZ2-OD2 3.09Å; W953-D957 VanDerWaalsContact NE1-CG 3.28Å; W953-D957 PolarHBondContact NE1-OD2 3.41Å; W953-D957 PolarHBondContact O-N 3.32Å
954	L	55	Low	56.5	Low	48 Å²	48	87.2 Å²	87.2	25%	0.251	42%	0.423	S	S	.	.	H	α-helix	trans	-52.9	-34.7	171.4	-95.3	165	0	0	0	113.3	F950 R958	F950-L954 HydrophobicContact CD1-CD1 3.98Å; F950-L954 HydrophobicContact CE1-CD1 3.51Å; F950-L954 HydrophobicContact CZ-CD1 3.93Å; F950-L954 WeakPolarHBondContact O-CB 3.35Å; F950-L954 PolarHBondContact O-N 3.42Å; L954-R958 WeakPolarHBondContact O-CB 3.27Å; L954-R958 PolarHBondContact O-N 2.84Å
955	L	64.2	Low	57.1	Low	92 Å²	92	80.8 Å²	80.8	48%	0.482	39%	0.389	S	S	.	.	H	α-helix	trans	-79.3	-29.2	176.6	-74.4	170.1	0	0	0	114.1	H951 W953 R958	H951-L955 VanDerWaalsContact O-CB 3.31Å; H951-L955 WeakPolarHBondContact O-CB 3.4Å; H951-L955 WeakPolarHBondContact O-CG 3.19Å; H951-L955 PolarHBondContact O-N 2.76Å; W953-L955 PolarHBondContact O-N 3.44Å; W953-L955 VanDerWaalsContact O-N 3.14Å; L955-R958 WeakPolarHBondContact O-CB 3.22Å
956	K	66.7	Low	57.5	Low	163 Å²	163	85.4 Å²	85.4	71%	0.709	41%	0.414	S	S	*	.	H	α-helix	trans	-75.3	-52.4	172.2	-93.7	-173.3	167.7	-173.3	0	111.1	K952 W953 R958 E959	K952-K956 WeakPolarHBondContact O-CB 3.32Å; K952-K956 PolarHBondContact O-N 3.15Å; W953-K956 PolarHBondContact O-N 2.89Å; K956-R958 PolarHBondContact O-N 2.83Å; K956-R958 VanDerWaalsContact O-N 3.14Å; K956-E959 PolarHBondContact O-N 2.91Å
957	D	61.8	Low	57.8	Low	36 Å²	36	88.8 Å²	88.8	19%	0.193	42%	0.424	C	S	.	.	H	α-helix	trans	-72.3	-3.3	178.3	-73	21.7	0	0	0	110.6	W953 E959 Q960 L961	W953-D957 VanDerWaalsContact CE2-OD2 3.25Å; W953-D957 HydrophobicContact CZ2-CB 4.45Å; W953-D957 WeakPolarHBondContact CZ2-OD2 3.09Å; W953-D957 VanDerWaalsContact NE1-CG 3.28Å; W953-D957 PolarHBondContact NE1-OD2 3.41Å; W953-D957 PolarHBondContact O-N 3.32Å; D957-E959 PolarHBondContact O-N 2.83Å; D957-Q960 HydrophobicContact CB-CB 4.5Å; D957-Q960 CarbonylContact O-C 3.56Å; D957-Q960 PolarHBondContact O-N 3.19Å; D957-L961 WeakPolarHBondContact O-CB 3.34Å; D957-L961 PolarHBondContact O-N 3.33Å
958	R	58.6	Low	58.2	Low	99 Å²	99	90.2 Å²	90.2	37%	0.374	43%	0.426	S	S	.	.	H	α-helix	trans	-53.3	-39	164.6	-165.5	178.9	-174.4	105.1	2.9	111.6	L954 L955 K956 Q962 I972 E976	L954-R958 WeakPolarHBondContact O-CB 3.27Å; L954-R958 PolarHBondContact O-N 2.84Å; L955-R958 WeakPolarHBondContact O-CB 3.22Å; K956-R958 PolarHBondContact O-N 2.83Å; K956-R958 VanDerWaalsContact O-N 3.14Å; R958-Q962 WeakPolarHBondContact O-CB 3.25Å; R958-Q962 PolarHBondContact O-N 3.4Å; R958-I972 HydrophobicContact CG-CD1 4.49Å; R958-E976 IonicContact CZ-OE1 3.96Å; R958-E976 VanDerWaalsContact CZ-OE1 3.27Å; R958-E976 IonicContact NH1-OE1 2.76Å; R958-E976 PolarHBondContact NH1-OE1 2.85Å; R958-E976 IonicContact NH2-OE1 3.5Å; R958-E976 PolarHBondContact NH2-OE1 3.21Å
959	E	61.2	Low	58	Low	156 Å²	156	91.7 Å²	91.7	73%	0.729	44%	0.438	S	S	*	.	H	α-helix	trans	-71.7	-37.4	175.6	-67.1	-172.4	157.1	0	0	112	K956 D957 Q962 S963	K956-E959 PolarHBondContact O-N 2.91Å; D957-E959 PolarHBondContact O-N 2.83Å; E959-Q962 PolarHBondContact O-N 3.44Å; E959-S963 PolarHBondContact O-N 3.33Å
960	Q	61.4	Low	57.3	Low	115 Å²	115	88.4 Å²	88.4	54%	0.537	43%	0.425	S	S	.	.	H	α-helix	trans	-70.5	-47.7	177.2	-63.5	-162.1	9.2	0	0	111.7	D957 Q962 S963 L964	D957-Q960 HydrophobicContact CB-CB 4.5Å; D957-Q960 CarbonylContact O-C 3.56Å; D957-Q960 PolarHBondContact O-N 3.19Å; Q960-Q962 VanDerWaalsContact C-N 3.26Å; Q960-Q962 PolarHBondContact O-N 3.11Å; Q960-S963 CarbonylContact O-C 3.55Å; Q960-S963 PolarHBondContact O-N 3.25Å; Q960-S963 PolarHBondContact O-OG 3.19Å; Q960-L964 WeakPolarHBondContact O-CB 3.17Å; Q960-L964 PolarHBondContact O-N 3.21Å
961	L	54	Low	57.5	Low	10 Å²	10	91.7 Å²	91.7	5%	0.052	44%	0.441	C	S	.	.	H	α-helix	trans	-52.3	-41.1	166	-89.6	167.9	0	0	0	111.7	W932 D957 S963 L964 A965 I975	W932-L961 HydrophobicContact CH2-CD1 3.85Å; W932-L961 HydrophobicContact CH2-CD2 3.54Å; W932-L961 HydrophobicContact CH2-CG 3.79Å; W932-L961 HydrophobicContact CZ2-CD1 4.5Å; W932-L961 HydrophobicContact CZ2-CD2 3.4Å; W932-L961 VanDerWaalsContact CZ2-CD2 3.4Å; W932-L961 HydrophobicContact CZ2-CG 3.94Å; W932-L961 HydrophobicContact CZ3-CD2 4.37Å; D957-L961 WeakPolarHBondContact O-CB 3.34Å; D957-L961 PolarHBondContact O-N 3.33Å; L961-S963 VanDerWaalsContact C-N 3.34Å; L961-L964 PolarHBondContact O-N 3.4Å; L961-A965 WeakPolarHBondContact O-CA 3.47Å; L961-A965 WeakPolarHBondContact O-CB 3.19Å; L961-A965 PolarHBondContact O-N 3.29Å; L961-I975 HydrophobicContact CD2-CD1 3.82Å
962	Q	62.2	Low	57.4	Low	106 Å²	106	87.7 Å²	87.7	50%	0.495	42%	0.423	S	S	.	.	H	α-helix	trans	-67.9	-36.1	177.4	-162.4	158.1	22.4	0	0	111.5	R958 E959 Q960 M966 I972	R958-Q962 WeakPolarHBondContact O-CB 3.25Å; R958-Q962 PolarHBondContact O-N 3.4Å; E959-Q962 PolarHBondContact O-N 3.44Å; Q960-Q962 VanDerWaalsContact C-N 3.26Å; Q960-Q962 PolarHBondContact O-N 3.11Å; Q962-M966 VanDerWaalsContact O-CB 3.29Å; Q962-M966 WeakPolarHBondContact O-CB 3.45Å; Q962-M966 VanDerWaalsContact O-CG 3.24Å; Q962-M966 WeakPolarHBondContact O-CG 3.3Å; Q962-M966 PolarHBondContact O-N 3.16Å; Q962-I972 HydrophobicContact CB-CD1 3.71Å; Q962-I972 HydrophobicContact CG-CD1 3.91Å
963	S	66.6	Low	57.3	Low	62 Å²	62	88.9 Å²	88.9	43%	0.434	43%	0.43	S	S	.	.	H	α-helix	trans	-70.5	-41.8	173.2	72.9	0	0	0	0	113.3	E959 Q960 L961 M966 Q967	E959-S963 PolarHBondContact O-N 3.33Å; Q960-S963 CarbonylContact O-C 3.55Å; Q960-S963 PolarHBondContact O-N 3.25Å; Q960-S963 PolarHBondContact O-OG 3.19Å; L961-S963 VanDerWaalsContact C-N 3.34Å; S963-M966 PolarHBondContact O-N 3.44Å; S963-Q967 WeakPolarHBondContact O-CG 3.41Å; S963-Q967 PolarHBondContact O-N 2.91Å
964	L	51.5	Low	56.6	Low	57 Å²	57	92.3 Å²	92.3	30%	0.298	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-43.7	176.2	-82.9	160	0	0	0	111.7	Q960 L961 M966 Q967 H968	Q960-L964 WeakPolarHBondContact O-CB 3.17Å; Q960-L964 PolarHBondContact O-N 3.21Å; L961-L964 PolarHBondContact O-N 3.4Å; L964-M966 VanDerWaalsContact C-N 3.28Å; L964-M966 PolarHBondContact O-N 3.1Å; L964-Q967 CarbonylContact O-C 3.47Å; L964-Q967 WeakPolarHBondContact O-CA 3.36Å; L964-Q967 WeakPolarHBondContact O-CB 3.49Å; L964-Q967 PolarHBondContact O-N 2.87Å; L964-H968 WeakPolarHBondContact O-CB 3.37Å; L964-H968 PolarHBondContact O-CD2 3.05Å; L964-H968 PolarHBondContact O-N 2.97Å
965	A	54	Low	56.3	Low	5 Å²	5	92 Å²	92	4%	0.041	45%	0.447	C	S	.	.	H	α-helix	trans	-66.9	-29.9	175	0	0	0	0	0	111.6	L961 N969 V970	L961-A965 WeakPolarHBondContact O-CA 3.47Å; L961-A965 WeakPolarHBondContact O-CB 3.19Å; L961-A965 PolarHBondContact O-N 3.29Å; A965-N969 CarbonylContact O-C 3.58Å; A965-N969 VanDerWaalsContact O-CA 3.29Å; A965-N969 WeakPolarHBondContact O-CA 3.29Å; A965-N969 PolarHBondContact O-N 3.37Å; A965-V970 HydrophobicContact CB-CB 4.25Å; A965-V970 WeakPolarHBondContact CB-O 3.45Å; A965-V970 PolarHBondContact O-N 3.11Å
966	M	56.3	Low	55.9	Low	157 Å²	157	91.4 Å²	91.4	77%	0.773	44%	0.441	S	S	*	.	H	α-helix	trans	-71	-30.1	166.6	-80.3	-175.4	65.8	0	0	113.6	Q962 S963 L964	Q962-M966 VanDerWaalsContact O-CB 3.29Å; Q962-M966 WeakPolarHBondContact O-CB 3.45Å; Q962-M966 VanDerWaalsContact O-CG 3.24Å; Q962-M966 WeakPolarHBondContact O-CG 3.3Å; Q962-M966 PolarHBondContact O-N 3.16Å; S963-M966 PolarHBondContact O-N 3.44Å; L964-M966 VanDerWaalsContact C-N 3.28Å; L964-M966 PolarHBondContact O-N 3.1Å
967	Q	56.5	Low	55.6	Low	149 Å²	149	89.2 Å²	89.2	70%	0.696	43%	0.433	S	S	*	.	H	α-helix	trans	-75.5	-29.1	172.2	-74.6	-175.8	-80.8	0	0	113.1	S963 L964	S963-Q967 WeakPolarHBondContact O-CG 3.41Å; S963-Q967 PolarHBondContact O-N 2.91Å; L964-Q967 CarbonylContact O-C 3.47Å; L964-Q967 WeakPolarHBondContact O-CA 3.36Å; L964-Q967 WeakPolarHBondContact O-CB 3.49Å; L964-Q967 PolarHBondContact O-N 2.87Å
968	H	48.6	Very low	55	Low	93 Å²	93	91.4 Å²	91.4	43%	0.431	44%	0.441	S	S	.	.	H	α-helix	trans	-109.9	6.1	-176.1	-64.9	-65.7	0	0	0	114.3	L964 V970	L964-H968 WeakPolarHBondContact O-CB 3.37Å; L964-H968 PolarHBondContact O-CD2 3.05Å; L964-H968 PolarHBondContact O-N 2.97Å; H968-V970 VanDerWaalsContact C-N 3.32Å; H968-V970 HydrophobicContact CB-CG2 4.43Å; H968-V970 PolarHBondContact O-N 2.81Å
969	N	45.4	Very low	55	Low	160 Å²	160	90 Å²	90	86%	0.856	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	29.5	174.8	-131.6	13.1	0	0	0	115.7	A965	A965-N969 CarbonylContact O-C 3.58Å; A965-N969 VanDerWaalsContact O-CA 3.29Å; A965-N969 WeakPolarHBondContact O-CA 3.29Å; A965-N969 PolarHBondContact O-N 3.37Å
970	V	45.8	Very low	55.1	Low	26 Å²	26	88.6 Å²	88.6	16%	0.158	44%	0.435	C	S	.	.			trans	-96.8	152.9	-179.2	179.4	0	0	0	0	110.8	L925 W928 A965 H968	L925-V970 HydrophobicContact CD2-CG2 4.12Å; W928-V970 HydrophobicContact CZ3-CG2 4.47Å; A965-V970 HydrophobicContact CB-CB 4.25Å; A965-V970 WeakPolarHBondContact CB-O 3.45Å; A965-V970 PolarHBondContact O-N 3.11Å; H968-V970 VanDerWaalsContact C-N 3.32Å; H968-V970 HydrophobicContact CB-CG2 4.43Å; H968-V970 PolarHBondContact O-N 2.81Å
971	Q	54.2	Low	55.4	Low	126 Å²	126	89.4 Å²	89.4	59%	0.589	44%	0.437	S	S	*	.			trans	-100.1	130	175.2	-64.4	-173	2.7	0	0	112	E973 E974	Q971-E973 PolarHBondContact O-N 3.06Å; Q971-E973 VanDerWaalsContact O-N 3.07Å; Q971-E974 HydrophobicContact CB-CG 4.46Å; Q971-E974 WeakPolarHBondContact O-CB 3.36Å; Q971-E974 PolarHBondContact O-N 2.97Å; Q971-E974 VanDerWaalsContact O-N 3.09Å
972	I	52	Low	55.6	Low	28 Å²	28	90.6 Å²	90.6	14%	0.144	44%	0.442	C	S	.	.	H	α-helix	trans	-55.8	-28.5	178.9	-82.2	176.8	0	0	0	112.9	R958 Q962 E974 I975 E976	R958-I972 HydrophobicContact CG-CD1 4.49Å; Q962-I972 HydrophobicContact CB-CD1 3.71Å; Q962-I972 HydrophobicContact CG-CD1 3.91Å; I972-E974 PolarHBondContact O-N 3.45Å; I972-I975 WeakPolarHBondContact O-CB 3.13Å; I972-I975 PolarHBondContact O-N 3.38Å; I972-I975 VanDerWaalsContact O-N 3.11Å; I972-E976 PolarHBondContact O-N 2.83Å
973	E	62.4	Low	55.7	Low	134 Å²	134	88.3 Å²	88.3	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-66.3	-24.2	-178.1	-62.4	178.3	160.5	0	0	112.6	Q971 Q977	Q971-E973 PolarHBondContact O-N 3.06Å; Q971-E973 VanDerWaalsContact O-N 3.07Å; E973-Q977 WeakPolarHBondContact O-CG 3.31Å; E973-Q977 PolarHBondContact O-N 2.87Å
974	E	50.8	Low	55.5	Low	117 Å²	117	92 Å²	92	55%	0.547	44%	0.442	S	S	.	.	H	α-helix	trans	-69.5	-35.6	173.2	-59.8	-178	135.1	0	0	111.7	Q971 I972 Q977 F978	Q971-E974 HydrophobicContact CB-CG 4.46Å; Q971-E974 WeakPolarHBondContact O-CB 3.36Å; Q971-E974 PolarHBondContact O-N 2.97Å; Q971-E974 VanDerWaalsContact O-N 3.09Å; I972-E974 PolarHBondContact O-N 3.45Å; E974-Q977 PolarHBondContact O-N 2.88Å; E974-F978 PolarHBondContact O-N 3.16Å
975	I	47.6	Very low	56	Low	42 Å²	42	95.5 Å²	95.5	22%	0.215	45%	0.451	C	S	.	.	H	α-helix	trans	-69.9	-41	176.6	-53.5	178.2	0	0	0	110.1	L961 I972 Q977 F978 V979	L961-I975 HydrophobicContact CD2-CD1 3.82Å; I972-I975 WeakPolarHBondContact O-CB 3.13Å; I972-I975 PolarHBondContact O-N 3.38Å; I972-I975 VanDerWaalsContact O-N 3.11Å; I975-Q977 VanDerWaalsContact C-N 3.27Å; I975-Q977 PolarHBondContact O-N 2.85Å; I975-F978 PolarHBondContact O-N 3Å; I975-V979 PolarHBondContact O-N 2.67Å
976	E	56	Low	56.2	Low	79 Å²	79	95.9 Å²	95.9	37%	0.369	45%	0.452	S	S	.	.	H	α-helix	trans	-67.2	-25.3	174	-68.7	-168	-162	0	0	113	R958 I972 K980	R958-E976 IonicContact CZ-OE1 3.96Å; R958-E976 VanDerWaalsContact CZ-OE1 3.27Å; R958-E976 IonicContact NH1-OE1 2.76Å; R958-E976 PolarHBondContact NH1-OE1 2.85Å; R958-E976 IonicContact NH2-OE1 3.5Å; R958-E976 PolarHBondContact NH2-OE1 3.21Å; I972-E976 PolarHBondContact O-N 2.83Å; E976-K980 WeakPolarHBondContact O-CG 3.48Å
977	Q	60.6	Low	56.7	Low	116 Å²	116	91.4 Å²	91.4	54%	0.542	43%	0.43	S	S	.	.	H	α-helix	trans	-77.1	-38.8	169.4	-74.5	-173.4	45.5	0	0	112.8	E973 E974 I975 K980 K981	E973-Q977 WeakPolarHBondContact O-CG 3.31Å; E973-Q977 PolarHBondContact O-N 2.87Å; E974-Q977 PolarHBondContact O-N 2.88Å; I975-Q977 VanDerWaalsContact C-N 3.27Å; I975-Q977 PolarHBondContact O-N 2.85Å; Q977-K980 PolarHBondContact O-N 2.93Å; Q977-K981 PolarHBondContact O-N 2.66Å
978	F	49.8	Very low	56.9	Low	83 Å²	83	87.6 Å²	87.6	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-58.9	-49.2	177.9	179.5	-108.5	0	0	0	111.5	E974 I975 K980 K981 E982	E974-F978 PolarHBondContact O-N 3.16Å; I975-F978 PolarHBondContact O-N 3Å; F978-K980 VanDerWaalsContact C-N 3.27Å; F978-K980 PolarHBondContact O-N 2.89Å; F978-K981 PolarHBondContact O-N 3.38Å; F978-K981 VanDerWaalsContact O-N 3.13Å; F978-E982 VanDerWaalsContact CE2-OE2 3.25Å; F978-E982 WeakPolarHBondContact CE2-OE2 3.43Å; F978-E982 HydrophobicContact CZ-CG 4.26Å; F978-E982 PolarHBondContact O-N 2.78Å
979	V	57.3	Low	57.1	Low	70 Å²	70	86.2 Å²	86.2	42%	0.424	43%	0.426	S	S	.	.	H	α-helix	trans	-58.3	-38.6	178.5	177.1	0	0	0	0	112.1	I975 E982 E983	I975-V979 PolarHBondContact O-N 2.67Å; V979-E982 PolarHBondContact O-N 3.44Å; V979-E983 PolarHBondContact O-N 3.48Å
980	K	64.8	Low	57.6	Low	125 Å²	125	81.5 Å²	81.5	54%	0.543	42%	0.415	S	S	.	.	H	α-helix	trans	-69.5	-39.5	176.9	-71.5	171.7	-175.1	162.3	0	112.8	E976 Q977 F978 E982 Q984	E976-K980 WeakPolarHBondContact O-CG 3.48Å; Q977-K980 PolarHBondContact O-N 2.93Å; F978-K980 VanDerWaalsContact C-N 3.27Å; F978-K980 PolarHBondContact O-N 2.89Å; K980-E982 VanDerWaalsContact C-N 3.33Å; K980-Q984 WeakPolarHBondContact O-CG 3.41Å; K980-Q984 PolarHBondContact O-N 3.11Å
981	K	67.1	Low	58.2	Low	133 Å²	133	80.7 Å²	80.7	58%	0.578	41%	0.41	S	S	*	.	H	α-helix	trans	-63	-41.3	173.3	-81	-176.8	174.8	176.7	0	110.9	Q977 F978 Q984 R985	Q977-K981 PolarHBondContact O-N 2.66Å; F978-K981 PolarHBondContact O-N 3.38Å; F978-K981 VanDerWaalsContact O-N 3.13Å; K981-Q984 PolarHBondContact O-N 3.38Å; K981-R985 VanDerWaalsContact O-CB 3.28Å; K981-R985 WeakPolarHBondContact O-CB 3.22Å; K981-R985 PolarHBondContact O-N 2.84Å
982	E	58.6	Low	58.6	Low	34 Å²	34	75.4 Å²	75.4	16%	0.159	39%	0.385	C	S	.	.	H	α-helix	trans	-68.8	-42.5	177.9	-121.6	57	-152.6	0	0	111.9	F978 V979 K980 Q984 R985 F986	F978-E982 VanDerWaalsContact CE2-OE2 3.25Å; F978-E982 WeakPolarHBondContact CE2-OE2 3.43Å; F978-E982 HydrophobicContact CZ-CG 4.26Å; F978-E982 PolarHBondContact O-N 2.78Å; V979-E982 PolarHBondContact O-N 3.44Å; K980-E982 VanDerWaalsContact C-N 3.33Å; E982-Q984 PolarHBondContact O-N 2.82Å; E982-R985 WeakPolarHBondContact O-CB 3.42Å; E982-R985 PolarHBondContact O-N 2.93Å; E982-R985 VanDerWaalsContact O-N 3.12Å; E982-R985 VanDerWaalsContact OE1-CD 3.29Å; E982-R985 WeakPolarHBondContact OE1-CD 3.39Å; E982-R985 IonicContact OE1-CZ 2.64Å; E982-R985 IonicContact OE1-NE 3.87Å; E982-R985 IonicContact OE1-NH1 3.68Å; E982-R985 PolarHBondContact OE1-NH1 3.41Å; E982-F986 HydrophobicContact CB-CE2 4.13Å; E982-F986 HydrophobicContact CG-CE2 3.78Å; E982-F986 HydrophobicContact CG-CZ 4.38Å; E982-F986 WeakPolarHBondContact O-CD2 3.44Å; E982-F986 PolarHBondContact O-N 2.84Å
983	E	63.5	Low	59.2	Low	58 Å²	58	79.8 Å²	79.8	27%	0.271	40%	0.403	S	S	.	.	H	α-helix	trans	-56.5	-46.6	170.8	-79.3	-163.9	131.5	0	0	111.9	V979 R985 F986 I987 L998	V979-E983 PolarHBondContact O-N 3.48Å; E983-R985 VanDerWaalsContact C-N 3.33Å; E983-R985 PolarHBondContact O-N 3.27Å; E983-F986 PolarHBondContact O-N 3.16Å; E983-I987 WeakPolarHBondContact O-CG1 3.18Å; E983-I987 PolarHBondContact O-N 3.35Å; E983-I987 VanDerWaalsContact O-N 3.07Å; E983-L998 HydrophobicContact CG-CB 4.07Å; E983-L998 HydrophobicContact CG-CD1 4.05Å; E983-L998 WeakPolarHBondContact OE1-CB 3.34Å; E983-L998 PolarHBondContact OE1-N 3.17Å; E983-L998 VanDerWaalsContact OE1-N 3.15Å
984	Q	63.7	Low	59.2	Low	140 Å²	140	79 Å²	79	65%	0.654	41%	0.41	S	S	*	.	H	α-helix	trans	-61.9	-38.5	174.5	-75.5	-176.7	-21.7	0	0	112.6	K980 K981 E982 I987 G988	K980-Q984 WeakPolarHBondContact O-CG 3.41Å; K980-Q984 PolarHBondContact O-N 3.11Å; K981-Q984 PolarHBondContact O-N 3.38Å; E982-Q984 PolarHBondContact O-N 2.82Å; Q984-I987 PolarHBondContact O-N 3.25Å; Q984-G988 PolarHBondContact O-N 2.86Å
985	R	61.4	Low	59.6	Low	131 Å²	131	78.4 Å²	78.4	49%	0.494	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-43.7	177.4	-168	-168.3	167	-159.8	-6.8	111.5	K981 E982 E983 I987 G988 M989	K981-R985 VanDerWaalsContact O-CB 3.28Å; K981-R985 WeakPolarHBondContact O-CB 3.22Å; K981-R985 PolarHBondContact O-N 2.84Å; E982-R985 WeakPolarHBondContact O-CB 3.42Å; E982-R985 PolarHBondContact O-N 2.93Å; E982-R985 VanDerWaalsContact O-N 3.12Å; E982-R985 VanDerWaalsContact OE1-CD 3.29Å; E982-R985 WeakPolarHBondContact OE1-CD 3.39Å; E982-R985 IonicContact OE1-CZ 2.64Å; E982-R985 IonicContact OE1-NE 3.87Å; E982-R985 IonicContact OE1-NH1 3.68Å; E982-R985 PolarHBondContact OE1-NH1 3.41Å; E983-R985 VanDerWaalsContact C-N 3.33Å; E983-R985 PolarHBondContact O-N 3.27Å; R985-I987 VanDerWaalsContact C-N 3.35Å; R985-I987 PolarHBondContact O-N 3.41Å; R985-G988 PolarHBondContact O-N 2.88Å; R985-M989 HydrophobicContact CG-CE 3.97Å; R985-M989 HydrophobicContact CG-SD 4.48Å; R985-M989 WeakPolarHBondContact O-CB 3.19Å; R985-M989 VanDerWaalsContact O-CG 3.3Å; R985-M989 WeakPolarHBondContact O-CG 3.1Å; R985-M989 PolarHBondContact O-N 2.98Å
986	F	58.5	Low	60.1	Low	12 Å²	12	80 Å²	80	5%	0.053	43%	0.425	C	S	.	.	H	α-helix	trans	-67.6	-33.3	175.8	-68.6	-61.9	0	0	0	113	E982 E983 M989 G990 L991 L992 L998 W1001 V1004	E982-F986 HydrophobicContact CB-CE2 4.13Å; E982-F986 HydrophobicContact CG-CE2 3.78Å; E982-F986 HydrophobicContact CG-CZ 4.38Å; E982-F986 WeakPolarHBondContact O-CD2 3.44Å; E982-F986 PolarHBondContact O-N 2.84Å; E983-F986 PolarHBondContact O-N 3.16Å; F986-M989 HydrophobicContact CD1-CE 3.55Å; F986-M989 HydrophobicContact CE1-CE 3.66Å; F986-M989 HydrophobicContact CG-CE 4.41Å; F986-G990 PolarHBondContact O-N 3.04Å; F986-L991 HydrophobicContact CB-CB 4.46Å; F986-L991 HydrophobicContact CD1-CB 4.27Å; F986-L991 HydrophobicContact CD1-CD1 3.87Å; F986-L991 HydrophobicContact CE1-CD1 4.37Å; F986-L991 PolarHBondContact O-N 3.29Å; F986-L992 HydrophobicContact CB-CB 4.24Å; F986-L992 HydrophobicContact CB-CD1 3.8Å; F986-L992 HydrophobicContact CB-CG 4.35Å; F986-L992 HydrophobicContact CG-CD1 4.46Å; F986-L992 PolarHBondContact O-N 3.24Å; F986-L992 VanDerWaalsContact O-N 3.17Å; F986-L998 HydrophobicContact CD2-CD1 3.67Å; F986-L998 HydrophobicContact CE2-CD1 4.08Å; F986-W1001 HydrophobicContact CD2-CZ3 4.39Å; F986-W1001 HydrophobicContact CE1-CH2 4.46Å; F986-W1001 AromaticContact CE2-CH2 3.8Å; F986-W1001 HydrophobicContact CE2-CH2 3.8Å; F986-W1001 AromaticContact CE2-CZ3 3.51Å; F986-W1001 HydrophobicContact CE2-CZ3 3.51Å; F986-W1001 AromaticContact CZ-CH2 3.49Å; F986-W1001 HydrophobicContact CZ-CH2 3.49Å; F986-W1001 VanDerWaalsContact CZ-CH2 3.49Å; F986-W1001 AromaticContact CZ-CZ3 3.61Å; F986-W1001 HydrophobicContact CZ-CZ3 3.61Å; F986-V1004 HydrophobicContact CB-CG1 4.44Å; F986-V1004 HydrophobicContact CD1-CG1 3.43Å; F986-V1004 VanDerWaalsContact CD1-CG1 3.43Å; F986-V1004 HydrophobicContact CD2-CG1 4.43Å; F986-V1004 HydrophobicContact CE1-CG1 3.74Å; F986-V1004 HydrophobicContact CG-CG1 3.85Å; F986-V1004 HydrophobicContact CZ-CG1 4.39Å
987	I	67.1	Low	60.2	Low	63 Å²	63	83.8 Å²	83.8	32%	0.323	44%	0.44	S	S	.	.	H	α-helix	trans	-66.2	-43.5	170.8	-67.8	163.8	0	0	0	110.7	E983 Q984 R985 G990 L992 P994	E983-I987 WeakPolarHBondContact O-CG1 3.18Å; E983-I987 PolarHBondContact O-N 3.35Å; E983-I987 VanDerWaalsContact O-N 3.07Å; Q984-I987 PolarHBondContact O-N 3.25Å; R985-I987 VanDerWaalsContact C-N 3.35Å; R985-I987 PolarHBondContact O-N 3.41Å; I987-G990 PolarHBondContact O-N 3.04Å; I987-G990 VanDerWaalsContact O-N 3.09Å; I987-L992 WeakPolarHBondContact CA-O 3.37Å; I987-L992 HydrophobicContact CG1-CB 4.04Å; I987-P994 HydrophobicContact CG2-CB 4.44Å; I987-P994 HydrophobicContact CG2-CG 3.88Å
988	G	59.8	Low	59.9	Low	70 Å²	70	80.3 Å²	80.3	72%	0.722	43%	0.425	S	S	*	.	H	α-helix	trans	-62.9	-40.7	176.1	0	0	0	0	0	113.6	Q984 R985 G990	Q984-G988 PolarHBondContact O-N 2.86Å; R985-G988 PolarHBondContact O-N 2.88Å; G988-G990 PolarHBondContact O-N 2.81Å
989	M	53.6	Low	60.1	Low	64 Å²	64	80.3 Å²	80.3	32%	0.315	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-3.4	173.8	-64.7	-170.6	-64.8	0	0	113.4	R985 F986 L991	R985-M989 HydrophobicContact CG-CE 3.97Å; R985-M989 HydrophobicContact CG-SD 4.48Å; R985-M989 WeakPolarHBondContact O-CB 3.19Å; R985-M989 VanDerWaalsContact O-CG 3.3Å; R985-M989 WeakPolarHBondContact O-CG 3.1Å; R985-M989 PolarHBondContact O-N 2.98Å; F986-M989 HydrophobicContact CD1-CE 3.55Å; F986-M989 HydrophobicContact CE1-CE 3.66Å; F986-M989 HydrophobicContact CG-CE 4.41Å; M989-L991 HydrophobicContact CB-CD1 3.86Å; M989-L991 HydrophobicContact CB-CG 3.97Å; M989-L991 HydrophobicContact CE-CD1 3.85Å; M989-L991 PolarHBondContact O-N 3.27Å; M989-L991 HydrophobicContact SD-CD1 4.42Å
990	G	54.6	Low	60.1	Low	60 Å²	60	79.9 Å²	79.9	62%	0.619	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	15.4	180	0	0	0	0	0	114.8	F986 I987 G988	F986-G990 PolarHBondContact O-N 3.04Å; I987-G990 PolarHBondContact O-N 3.04Å; I987-G990 VanDerWaalsContact O-N 3.09Å; G988-G990 PolarHBondContact O-N 2.81Å
991	L	59.1	Low	59.6	Low	10 Å²	10	78.6 Å²	78.6	5%	0.052	42%	0.419	C	S	.	.	S	Bend	trans	-87.2	-21.5	-178.3	-61.3	173.2	0	0	0	112.4	F986 M989 V1004 L1007 H1008	F986-L991 HydrophobicContact CB-CB 4.46Å; F986-L991 HydrophobicContact CD1-CB 4.27Å; F986-L991 HydrophobicContact CD1-CD1 3.87Å; F986-L991 HydrophobicContact CE1-CD1 4.37Å; F986-L991 PolarHBondContact O-N 3.29Å; M989-L991 HydrophobicContact CB-CD1 3.86Å; M989-L991 HydrophobicContact CB-CG 3.97Å; M989-L991 HydrophobicContact CE-CD1 3.85Å; M989-L991 PolarHBondContact O-N 3.27Å; M989-L991 HydrophobicContact SD-CD1 4.42Å; L991-V1004 HydrophobicContact CB-CG1 4.19Å; L991-L1007 VanDerWaalsContact CD2-C 3.46Å; L991-L1007 HydrophobicContact CD2-CB 3.62Å; L991-H1008 HydrophobicContact CD1-CB 3.71Å; L991-H1008 HydrophobicContact CD2-CB 4.35Å
992	L	62.7	Low	58.9	Low	15 Å²	15	77.3 Å²	77.3	8%	0.079	42%	0.416	C	S	.	.	S	Bend	trans	-124.7	143.2	167.9	-89.2	160.4	0	0	0	109.6	F986 I987 E996 K997 L998 V1004	F986-L992 HydrophobicContact CB-CB 4.24Å; F986-L992 HydrophobicContact CB-CD1 3.8Å; F986-L992 HydrophobicContact CB-CG 4.35Å; F986-L992 HydrophobicContact CG-CD1 4.46Å; F986-L992 PolarHBondContact O-N 3.24Å; F986-L992 VanDerWaalsContact O-N 3.17Å; I987-L992 WeakPolarHBondContact CA-O 3.37Å; I987-L992 HydrophobicContact CG1-CB 4.04Å; L992-E996 HydrophobicContact CD2-CB 3.75Å; L992-K997 WeakPolarHBondContact CD2-O 3.22Å; L992-L998 HydrophobicContact CD1-CB 4.25Å; L992-L998 HydrophobicContact CD1-CD1 3.79Å; L992-L998 HydrophobicContact CD1-CG 4.18Å; L992-V1004 HydrophobicContact CD1-CG2 3.95Å; L992-V1004 HydrophobicContact CD2-CG2 4.24Å; L992-V1004 HydrophobicContact CG-CG2 3.82Å
993	K	64.6	Low	59	Low	119 Å²	119	81.4 Å²	81.4	52%	0.517	44%	0.435	S	S	.	.			trans	-77.8	151.2	168.5	-61.8	173.8	-152.2	72.5	0	109.2	S995 E996	K993-S995 PolarHBondContact O-N 3.39Å; K993-E996 HydrophobicContact CB-CB 4.37Å; K993-E996 HydrophobicContact CB-CG 4.17Å; K993-E996 VanDerWaalsContact CB-OE2 3.26Å; K993-E996 WeakPolarHBondContact CB-OE2 3.04Å; K993-E996 WeakPolarHBondContact CD-OE1 3.47Å; K993-E996 WeakPolarHBondContact CD-OE2 3.39Å; K993-E996 WeakPolarHBondContact CE-OE1 3.47Å; K993-E996 WeakPolarHBondContact CG-OE2 3.26Å; K993-E996 PolarHBondContact N-OE2 2.77Å; K993-E996 IonicContact NZ-OE1 3.87Å; K993-E996 PolarHBondContact NZ-OE1 2.94Å; K993-E996 IonicContact NZ-OE2 3.89Å; K993-E996 PolarHBondContact NZ-OE2 3.31Å; K993-E996 PolarHBondContact O-N 3.1Å
994	P	62.2	Low	58.8	Low	117 Å²	117	78.9 Å²	78.9	76%	0.76	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-12.9	176.1	-25	33.1	0	0	0	116	I987	I987-P994 HydrophobicContact CG2-CB 4.44Å; I987-P994 HydrophobicContact CG2-CG 3.88Å
995	S	58.9	Low	58.4	Low	105 Å²	105	74.9 Å²	74.9	73%	0.734	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-8.2	175.9	57.8	0	0	0	0	114	K993	K993-S995 PolarHBondContact O-N 3.39Å
996	E	57.9	Low	58.6	Low	77 Å²	77	78.3 Å²	78.3	36%	0.36	42%	0.417	S	S	.	.			trans	-101.4	121.9	-179.1	-72.4	163.4	173.4	0	0	107.8	L992 K993	L992-E996 HydrophobicContact CD2-CB 3.75Å; K993-E996 HydrophobicContact CB-CB 4.37Å; K993-E996 HydrophobicContact CB-CG 4.17Å; K993-E996 VanDerWaalsContact CB-OE2 3.26Å; K993-E996 WeakPolarHBondContact CB-OE2 3.04Å; K993-E996 WeakPolarHBondContact CD-OE1 3.47Å; K993-E996 WeakPolarHBondContact CD-OE2 3.39Å; K993-E996 WeakPolarHBondContact CE-OE1 3.47Å; K993-E996 WeakPolarHBondContact CG-OE2 3.26Å; K993-E996 PolarHBondContact N-OE2 2.77Å; K993-E996 IonicContact NZ-OE1 3.87Å; K993-E996 PolarHBondContact NZ-OE1 2.94Å; K993-E996 IonicContact NZ-OE2 3.89Å; K993-E996 PolarHBondContact NZ-OE2 3.31Å; K993-E996 PolarHBondContact O-N 3.1Å
997	K	57.6	Low	58.8	Low	157 Å²	157	81.5 Å²	81.5	68%	0.683	43%	0.434	S	S	*	.			trans	-73.1	168.6	166.8	-68.4	-171.3	175.9	-168.1	0	109.3	L992 T999	L992-K997 WeakPolarHBondContact CD2-O 3.22Å; K997-T999 HydrophobicContact CB-CG2 3.92Å; K997-T999 PolarHBondContact O-N 2.7Å; K997-T999 PolarHBondContact O-OG1 2.81Å
998	L	54.4	Low	58.4	Low	44 Å²	44	81.1 Å²	81.1	23%	0.23	43%	0.431	C	S	.	.	S	Bend	trans	-69.2	63.1	176.9	-155.7	121.2	0	0	0	112.7	E983 F986 L992 W1001	E983-L998 HydrophobicContact CG-CB 4.07Å; E983-L998 HydrophobicContact CG-CD1 4.05Å; E983-L998 WeakPolarHBondContact OE1-CB 3.34Å; E983-L998 PolarHBondContact OE1-N 3.17Å; E983-L998 VanDerWaalsContact OE1-N 3.15Å; F986-L998 HydrophobicContact CD2-CD1 3.67Å; F986-L998 HydrophobicContact CE2-CD1 4.08Å; L992-L998 HydrophobicContact CD1-CB 4.25Å; L992-L998 HydrophobicContact CD1-CD1 3.79Å; L992-L998 HydrophobicContact CD1-CG 4.18Å; L998-W1001 HydrophobicContact CD1-CE3 4.35Å; L998-W1001 HydrophobicContact CD1-CZ3 4.14Å; L998-W1001 HydrophobicContact CD2-CE3 3.83Å; L998-W1001 HydrophobicContact CD2-CZ3 4.17Å; L998-W1001 HydrophobicContact CG-CE3 4.28Å
999	T	55.6	Low	58.1	Low	82 Å²	82	82.9 Å²	82.9	50%	0.503	42%	0.423	S	S	.	.			trans	-99	-4.8	-168	51.8	0	0	0	0	115.2	V947 K997	V947-T999 HydrophobicContact CG1-CG2 4.31Å; V947-T999 VanDerWaalsContact CG2-CA 3.47Å; V947-T999 HydrophobicContact CG2-CG2 4.14Å; V947-T999 WeakPolarHBondContact CG2-O 3.46Å; K997-T999 HydrophobicContact CB-CG2 3.92Å; K997-T999 PolarHBondContact O-N 2.7Å; K997-T999 PolarHBondContact O-OG1 2.81Å
1000	N	57.3	Low	58.8	Low	62 Å²	62	86 Å²	86	33%	0.332	44%	0.435	S	S	.	.			trans	-150.6	86.7	174.6	-169.6	2.1	0	0	0	109.9	Q1002 E1003 V1004	N1000-Q1002 PolarHBondContact O-N 3.38Å; N1000-E1003 HydrophobicContact CB-CB 4.19Å; N1000-E1003 VanDerWaalsContact ND2-CD 3.34Å; N1000-E1003 VanDerWaalsContact ND2-CG 3.32Å; N1000-E1003 WeakPolarHBondContact ND2-CG 3.26Å; N1000-E1003 PolarHBondContact ND2-OE2 3.35Å; N1000-E1003 PolarHBondContact O-N 2.9Å; N1000-V1004 PolarHBondContact O-N 3.47Å
1001	W	53.2	Low	59.3	Low	98 Å²	98	86.2 Å²	86.2	37%	0.371	42%	0.422	S	S	.	.	H	α-helix	trans	-57.6	-38.6	-178.9	-174.6	-102.5	0	0	0	111.9	V940 F986 L998 E1003 V1004 E1005	V940-W1001 HydrophobicContact CG1-CB 4.48Å; V940-W1001 HydrophobicContact CG1-CG 4.22Å; F986-W1001 HydrophobicContact CD2-CZ3 4.39Å; F986-W1001 HydrophobicContact CE1-CH2 4.46Å; F986-W1001 AromaticContact CE2-CH2 3.8Å; F986-W1001 HydrophobicContact CE2-CH2 3.8Å; F986-W1001 AromaticContact CE2-CZ3 3.51Å; F986-W1001 HydrophobicContact CE2-CZ3 3.51Å; F986-W1001 AromaticContact CZ-CH2 3.49Å; F986-W1001 HydrophobicContact CZ-CH2 3.49Å; F986-W1001 VanDerWaalsContact CZ-CH2 3.49Å; F986-W1001 AromaticContact CZ-CZ3 3.61Å; F986-W1001 HydrophobicContact CZ-CZ3 3.61Å; L998-W1001 HydrophobicContact CD1-CE3 4.35Å; L998-W1001 HydrophobicContact CD1-CZ3 4.14Å; L998-W1001 HydrophobicContact CD2-CE3 3.83Å; L998-W1001 HydrophobicContact CD2-CZ3 4.17Å; L998-W1001 HydrophobicContact CG-CE3 4.28Å; W1001-E1003 VanDerWaalsContact C-N 3.26Å; W1001-E1003 PolarHBondContact O-N 2.74Å; W1001-V1004 PolarHBondContact O-N 3.04Å; W1001-E1005 VanDerWaalsContact O-CB 3.31Å; W1001-E1005 WeakPolarHBondContact O-CB 3.45Å; W1001-E1005 PolarHBondContact O-N 2.8Å
1002	Q	53.5	Low	59.2	Low	106 Å²	106	89 Å²	89	50%	0.495	44%	0.437	S	S	.	.	H	α-helix	trans	-59.9	-32.3	176.8	-64.4	179.3	1.5	0	0	112.7	D944 N1000 R1006	D944-Q1002 PolarHBondContact OD1-NE2 2.83Å; N1000-Q1002 PolarHBondContact O-N 3.38Å; Q1002-R1006 WeakPolarHBondContact O-CB 3.07Å; Q1002-R1006 PolarHBondContact O-N 3.44Å
1003	E	59.5	Low	58.5	Low	120 Å²	120	90.7 Å²	90.7	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-76.3	-38.2	172.5	-89.6	-178.3	127.9	0	0	112.7	N1000 W1001 R1006 L1007	N1000-E1003 HydrophobicContact CB-CB 4.19Å; N1000-E1003 VanDerWaalsContact ND2-CD 3.34Å; N1000-E1003 VanDerWaalsContact ND2-CG 3.32Å; N1000-E1003 WeakPolarHBondContact ND2-CG 3.26Å; N1000-E1003 PolarHBondContact ND2-OE2 3.35Å; N1000-E1003 PolarHBondContact O-N 2.9Å; W1001-E1003 VanDerWaalsContact C-N 3.26Å; W1001-E1003 PolarHBondContact O-N 2.74Å; E1003-R1006 PolarHBondContact O-N 2.94Å; E1003-L1007 VanDerWaalsContact O-CB 3.28Å; E1003-L1007 WeakPolarHBondContact O-CB 3.44Å; E1003-L1007 VanDerWaalsContact O-CG 3.24Å; E1003-L1007 WeakPolarHBondContact O-CG 3.24Å; E1003-L1007 PolarHBondContact O-N 3.22Å
1004	V	59.5	Low	58.3	Low	4 Å²	4	90.3 Å²	90.3	2%	0.024	45%	0.453	C	S	.	.	H	α-helix	trans	-64.9	-45.9	176.6	179.3	0	0	0	0	110.8	F986 L991 L992 N1000 W1001 L1007 H1008	F986-V1004 HydrophobicContact CB-CG1 4.44Å; F986-V1004 HydrophobicContact CD1-CG1 3.43Å; F986-V1004 VanDerWaalsContact CD1-CG1 3.43Å; F986-V1004 HydrophobicContact CD2-CG1 4.43Å; F986-V1004 HydrophobicContact CE1-CG1 3.74Å; F986-V1004 HydrophobicContact CG-CG1 3.85Å; F986-V1004 HydrophobicContact CZ-CG1 4.39Å; L991-V1004 HydrophobicContact CB-CG1 4.19Å; L992-V1004 HydrophobicContact CD1-CG2 3.95Å; L992-V1004 HydrophobicContact CD2-CG2 4.24Å; L992-V1004 HydrophobicContact CG-CG2 3.82Å; N1000-V1004 PolarHBondContact O-N 3.47Å; W1001-V1004 PolarHBondContact O-N 3.04Å; V1004-L1007 PolarHBondContact O-N 2.85Å; V1004-H1008 WeakPolarHBondContact O-CB 3.13Å; V1004-H1008 PolarHBondContact O-N 2.96Å
1005	E	55.5	Low	58	Low	57 Å²	57	91.1 Å²	91.1	27%	0.266	45%	0.447	S	S	.	.	H	α-helix	trans	-64.9	-45.2	175.7	-175.8	172.7	-160.6	0	0	111.2	W1001 L1007 H1008 L1009	W1001-E1005 VanDerWaalsContact O-CB 3.31Å; W1001-E1005 WeakPolarHBondContact O-CB 3.45Å; W1001-E1005 PolarHBondContact O-N 2.8Å; E1005-L1007 VanDerWaalsContact C-N 3.33Å; E1005-L1007 PolarHBondContact O-N 3.25Å; E1005-H1008 PolarHBondContact O-N 2.75Å; E1005-H1008 VanDerWaalsContact O-N 3.1Å; E1005-L1009 HydrophobicContact CG-CD1 4.01Å; E1005-L1009 HydrophobicContact CG-CG 4.43Å; E1005-L1009 WeakPolarHBondContact O-CB 3.28Å; E1005-L1009 WeakPolarHBondContact O-CG 3.06Å; E1005-L1009 PolarHBondContact O-N 2.86Å
1006	R	65	Low	57.5	Low	202 Å²	202	90.1 Å²	90.1	76%	0.762	43%	0.431	S	S	*	.	H	α-helix	trans	-67	-31.2	177.1	-167.5	177.7	-161.1	171.1	7.2	113	Q1002 E1003 K1010	Q1002-R1006 WeakPolarHBondContact O-CB 3.07Å; Q1002-R1006 PolarHBondContact O-N 3.44Å; E1003-R1006 PolarHBondContact O-N 2.94Å; R1006-K1010 WeakPolarHBondContact O-CB 3.25Å; R1006-K1010 PolarHBondContact O-N 3.08Å; R1006-K1010 VanDerWaalsContact O-N 3.09Å
1007	L	64.1	Low	57	Low	79 Å²	79	91.5 Å²	91.5	41%	0.414	43%	0.433	S	S	.	.	H	α-helix	trans	-73.6	-36.7	169.2	-74.1	170	0	0	0	111.7	L991 E1003 V1004 E1005 K1010 N1011	L991-L1007 VanDerWaalsContact CD2-C 3.46Å; L991-L1007 HydrophobicContact CD2-CB 3.62Å; E1003-L1007 VanDerWaalsContact O-CB 3.28Å; E1003-L1007 WeakPolarHBondContact O-CB 3.44Å; E1003-L1007 VanDerWaalsContact O-CG 3.24Å; E1003-L1007 WeakPolarHBondContact O-CG 3.24Å; E1003-L1007 PolarHBondContact O-N 3.22Å; V1004-L1007 PolarHBondContact O-N 2.85Å; E1005-L1007 VanDerWaalsContact C-N 3.33Å; E1005-L1007 PolarHBondContact O-N 3.25Å; L1007-K1010 PolarHBondContact O-N 3.32Å; L1007-N1011 WeakPolarHBondContact O-CB 3.4Å; L1007-N1011 PolarHBondContact O-N 3.1Å
1008	H	58.9	Low	56.7	Low	56 Å²	56	90.6 Å²	90.6	26%	0.259	43%	0.429	S	S	.	.	H	α-helix	trans	-67.3	-47	177.5	-165.7	-32	0	0	0	111.1	L991 V1004 E1005 K1010 N1011 L1012	L991-H1008 HydrophobicContact CD1-CB 3.71Å; L991-H1008 HydrophobicContact CD2-CB 4.35Å; V1004-H1008 WeakPolarHBondContact O-CB 3.13Å; V1004-H1008 PolarHBondContact O-N 2.96Å; E1005-H1008 PolarHBondContact O-N 2.75Å; E1005-H1008 VanDerWaalsContact O-N 3.1Å; H1008-K1010 VanDerWaalsContact C-N 3.29Å; H1008-K1010 PolarHBondContact O-N 2.86Å; H1008-N1011 PolarHBondContact O-N 3.06Å; H1008-L1012 WeakPolarHBondContact O-CB 3.16Å; H1008-L1012 PolarHBondContact O-N 2.9Å
1009	L	52.3	Low	56.4	Low	106 Å²	106	91.3 Å²	91.3	56%	0.555	44%	0.438	S	S	*	.	H	α-helix	trans	-63	-36.8	174.7	-68.9	171.8	0	0	0	110.8	E1005 A1013	E1005-L1009 HydrophobicContact CG-CD1 4.01Å; E1005-L1009 HydrophobicContact CG-CG 4.43Å; E1005-L1009 WeakPolarHBondContact O-CB 3.28Å; E1005-L1009 WeakPolarHBondContact O-CG 3.06Å; E1005-L1009 PolarHBondContact O-N 2.86Å; L1009-A1013 WeakPolarHBondContact O-CB 3.44Å; L1009-A1013 PolarHBondContact O-N 3.46Å
1010	K	68.2	Low	56.1	Low	129 Å²	129	88.8 Å²	88.8	56%	0.561	42%	0.423	S	S	*	.	H	α-helix	trans	-68.2	-42.2	173.9	-174.8	172.7	-178.1	175	0	113	R1006 L1007 H1008 Q1014	R1006-K1010 WeakPolarHBondContact O-CB 3.25Å; R1006-K1010 PolarHBondContact O-N 3.08Å; R1006-K1010 VanDerWaalsContact O-N 3.09Å; L1007-K1010 PolarHBondContact O-N 3.32Å; H1008-K1010 VanDerWaalsContact C-N 3.29Å; H1008-K1010 PolarHBondContact O-N 2.86Å; K1010-Q1014 WeakPolarHBondContact O-CB 3.46Å; K1010-Q1014 WeakPolarHBondContact O-CG 3.41Å; K1010-Q1014 PolarHBondContact O-N 3.26Å
1011	N	65.3	Low	56	Low	66 Å²	66	90.9 Å²	90.9	35%	0.353	43%	0.43	S	S	.	.	H	α-helix	trans	-66.7	-43	174.9	-91.2	-1.9	0	0	0	111.2	L1007 H1008 Q1014 Q1015	L1007-N1011 WeakPolarHBondContact O-CB 3.4Å; L1007-N1011 PolarHBondContact O-N 3.1Å; H1008-N1011 PolarHBondContact O-N 3.06Å; N1011-Q1014 CarbonylContact O-C 3.32Å; N1011-Q1014 PolarHBondContact O-N 3.36Å; N1011-Q1014 VanDerWaalsContact O-N 3.17Å; N1011-Q1015 WeakPolarHBondContact O-CG 3.32Å; N1011-Q1015 PolarHBondContact O-N 2.91Å
1012	L	56.5	Low	56	Low	68 Å²	68	93.1 Å²	93.1	36%	0.356	45%	0.445	S	S	.	.	H	α-helix	trans	-68.1	-41.3	179.9	-171.5	137.2	0	0	0	110.9	H1008 Q1014 Q1015 Q1016	H1008-L1012 WeakPolarHBondContact O-CB 3.16Å; H1008-L1012 PolarHBondContact O-N 2.9Å; L1012-Q1014 VanDerWaalsContact C-N 3.33Å; L1012-Q1014 PolarHBondContact O-N 2.72Å; L1012-Q1015 PolarHBondContact O-N 3.08Å; L1012-Q1016 HydrophobicContact CD2-CG 4.31Å; L1012-Q1016 WeakPolarHBondContact O-CB 3.23Å; L1012-Q1016 WeakPolarHBondContact O-CG 3.47Å; L1012-Q1016 PolarHBondContact O-N 2.99Å
1013	A	48.1	Very low	56	Low	51 Å²	51	90.3 Å²	90.3	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-36.2	169.3	0	0	0	0	0	112.3	L1009 Y1017	L1009-A1013 WeakPolarHBondContact O-CB 3.44Å; L1009-A1013 PolarHBondContact O-N 3.46Å; A1013-Y1017 WeakPolarHBondContact O-CB 3.3Å; A1013-Y1017 PolarHBondContact O-N 3.17Å
1014	Q	61.3	Low	55.6	Low	111 Å²	111	85.3 Å²	85.3	52%	0.519	41%	0.41	S	S	.	.	H	α-helix	trans	-72.9	-30.2	173.7	-79.4	-167.8	-34.1	0	0	113.7	K1010 N1011 L1012 K1018	K1010-Q1014 WeakPolarHBondContact O-CB 3.46Å; K1010-Q1014 WeakPolarHBondContact O-CG 3.41Å; K1010-Q1014 PolarHBondContact O-N 3.26Å; N1011-Q1014 CarbonylContact O-C 3.32Å; N1011-Q1014 PolarHBondContact O-N 3.36Å; N1011-Q1014 VanDerWaalsContact O-N 3.17Å; L1012-Q1014 VanDerWaalsContact C-N 3.33Å; L1012-Q1014 PolarHBondContact O-N 2.72Å; Q1014-K1018 WeakPolarHBondContact O-CB 3.08Å; Q1014-K1018 WeakPolarHBondContact O-CG 3.42Å; Q1014-K1018 PolarHBondContact O-N 3.14Å; Q1014-K1018 VanDerWaalsContact O-N 3.08Å
1015	Q	56.1	Low	55.7	Low	134 Å²	134	87 Å²	87	63%	0.626	42%	0.424	S	S	*	.	H	α-helix	trans	-73	-45.2	172.4	-75.2	177.7	-65.5	0	0	110.6	N1011 L1012 K1018 S1019	N1011-Q1015 WeakPolarHBondContact O-CG 3.32Å; N1011-Q1015 PolarHBondContact O-N 2.91Å; L1012-Q1015 PolarHBondContact O-N 3.08Å; Q1015-K1018 PolarHBondContact O-N 3.12Å; Q1015-S1019 PolarHBondContact O-N 3.26Å; Q1015-S1019 PolarHBondContact O-OG 3.36Å
1016	Q	48	Very low	56	Low	84 Å²	84	92 Å²	92	39%	0.393	44%	0.44	S	S	.	.	H	α-helix	trans	-57.6	-47.9	171.1	-77	177.4	-38.2	0	0	110.9	L1012 K1018 S1019 T1020	L1012-Q1016 HydrophobicContact CD2-CG 4.31Å; L1012-Q1016 WeakPolarHBondContact O-CB 3.23Å; L1012-Q1016 WeakPolarHBondContact O-CG 3.47Å; L1012-Q1016 PolarHBondContact O-N 2.99Å; Q1016-K1018 VanDerWaalsContact C-N 3.3Å; Q1016-K1018 PolarHBondContact O-N 3.06Å; Q1016-S1019 WeakPolarHBondContact CA-OG 3.49Å; Q1016-S1019 CarbonylContact O-C 3.08Å; Q1016-S1019 PolarHBondContact O-N 3.35Å; Q1016-S1019 VanDerWaalsContact O-N 3.11Å; Q1016-S1019 PolarHBondContact O-OG 3.09Å; Q1016-T1020 WeakPolarHBondContact O-CG2 3.38Å; Q1016-T1020 PolarHBondContact O-N 3Å; Q1016-T1020 PolarHBondContact O-OG1 3.24Å
1017	Y	47.8	Very low	55.5	Low	105 Å²	105	83.5 Å²	83.5	41%	0.412	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-39.1	177.4	-163.6	-82.2	0	0	0	111.9	A1013 T1020 E1021 Y1114	A1013-Y1017 WeakPolarHBondContact O-CB 3.3Å; A1013-Y1017 PolarHBondContact O-N 3.17Å; Y1017-T1020 WeakPolarHBondContact CA-OG1 3.49Å; Y1017-T1020 PolarHBondContact O-OG1 3.13Å; Y1017-T1020 VanDerWaalsContact O-OG1 3.06Å; Y1017-E1021 WeakPolarHBondContact O-CB 3.34Å; Y1017-E1021 PolarHBondContact O-N 3.31Å; Y1017-Y1114 HydrophobicContact CE2-CE1 4.43Å
1018	K	51.1	Low	55.5	Low	138 Å²	138	82.9 Å²	82.9	60%	0.6	40%	0.402	S	S	*	.	H	α-helix	trans	-69.6	-38.3	173.6	-78.4	-178.8	175.3	-171.2	0	113.1	Q1014 Q1015 Q1016 E1021 Q1022	Q1014-K1018 WeakPolarHBondContact O-CB 3.08Å; Q1014-K1018 WeakPolarHBondContact O-CG 3.42Å; Q1014-K1018 PolarHBondContact O-N 3.14Å; Q1014-K1018 VanDerWaalsContact O-N 3.08Å; Q1015-K1018 PolarHBondContact O-N 3.12Å; Q1016-K1018 VanDerWaalsContact C-N 3.3Å; Q1016-K1018 PolarHBondContact O-N 3.06Å; K1018-E1021 PolarHBondContact O-N 3.5Å; K1018-Q1022 WeakPolarHBondContact O-CB 3.43Å; K1018-Q1022 WeakPolarHBondContact O-CG 3.33Å; K1018-Q1022 PolarHBondContact O-N 2.76Å
1019	S	46.7	Very low	55.7	Low	59 Å²	59	82.1 Å²	82.1	41%	0.413	40%	0.399	S	S	.	.	H	α-helix	trans	-68.7	-38.4	175.5	61.5	0	0	0	0	111.3	Q1015 Q1016 Q1022 L1023	Q1015-S1019 PolarHBondContact O-N 3.26Å; Q1015-S1019 PolarHBondContact O-OG 3.36Å; Q1016-S1019 WeakPolarHBondContact CA-OG 3.49Å; Q1016-S1019 CarbonylContact O-C 3.08Å; Q1016-S1019 PolarHBondContact O-N 3.35Å; Q1016-S1019 VanDerWaalsContact O-N 3.11Å; Q1016-S1019 PolarHBondContact O-OG 3.09Å; S1019-Q1022 PolarHBondContact O-N 3.08Å; S1019-L1023 WeakPolarHBondContact O-CB 3.43Å; S1019-L1023 PolarHBondContact O-N 3.45Å
1020	T	51.3	Low	56.1	Low	30 Å²	30	80.2 Å²	80.2	18%	0.184	39%	0.389	C	S	.	.	H	α-helix	trans	-70.9	-36.6	173.5	58.4	0	0	0	0	111.3	Q1016 Y1017 Q1022 L1023 E1024	Q1016-T1020 WeakPolarHBondContact O-CG2 3.38Å; Q1016-T1020 PolarHBondContact O-N 3Å; Q1016-T1020 PolarHBondContact O-OG1 3.24Å; Y1017-T1020 WeakPolarHBondContact CA-OG1 3.49Å; Y1017-T1020 PolarHBondContact O-OG1 3.13Å; Y1017-T1020 VanDerWaalsContact O-OG1 3.06Å; T1020-Q1022 VanDerWaalsContact C-N 3.32Å; T1020-Q1022 PolarHBondContact O-N 2.87Å; T1020-L1023 CarbonylContact O-C 3.53Å; T1020-L1023 PolarHBondContact O-N 3.34Å; T1020-E1024 WeakPolarHBondContact O-CB 3.47Å; T1020-E1024 VanDerWaalsContact O-CG 3.24Å; T1020-E1024 WeakPolarHBondContact O-CG 3.32Å; T1020-E1024 PolarHBondContact O-N 3.31Å
1021	E	53.2	Low	55.7	Low	105 Å²	105	77.8 Å²	77.8	49%	0.491	38%	0.377	S	S	.	.	H	α-helix	trans	-64.5	-36.3	174.1	-177.1	174.9	-139.5	0	0	111.5	Y1017 K1018 A1025	Y1017-E1021 WeakPolarHBondContact O-CB 3.34Å; Y1017-E1021 PolarHBondContact O-N 3.31Å; K1018-E1021 PolarHBondContact O-N 3.5Å; E1021-A1025 VanDerWaalsContact O-CB 3.22Å; E1021-A1025 WeakPolarHBondContact O-CB 3.41Å; E1021-A1025 PolarHBondContact O-N 2.99Å
1022	Q	55.1	Low	56	Low	145 Å²	145	78.8 Å²	78.8	68%	0.678	38%	0.379	S	S	*	.	H	α-helix	trans	-68.9	-41	170	-75	177.1	-13.1	0	0	112.5	K1018 S1019 T1020 A1025 R1026	K1018-Q1022 WeakPolarHBondContact O-CB 3.43Å; K1018-Q1022 WeakPolarHBondContact O-CG 3.33Å; K1018-Q1022 PolarHBondContact O-N 2.76Å; S1019-Q1022 PolarHBondContact O-N 3.08Å; T1020-Q1022 VanDerWaalsContact C-N 3.32Å; T1020-Q1022 PolarHBondContact O-N 2.87Å; Q1022-A1025 PolarHBondContact O-N 3.23Å; Q1022-R1026 WeakPolarHBondContact O-CB 3.26Å; Q1022-R1026 PolarHBondContact O-N 3.47Å
1023	L	52.1	Low	56.4	Low	47 Å²	47	79.7 Å²	79.7	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-69	-39	177.2	-125.6	157	0	0	0	111.6	S1019 T1020 R1026 L1027 L1065	S1019-L1023 WeakPolarHBondContact O-CB 3.43Å; S1019-L1023 PolarHBondContact O-N 3.45Å; T1020-L1023 CarbonylContact O-C 3.53Å; T1020-L1023 PolarHBondContact O-N 3.34Å; L1023-R1026 PolarHBondContact O-N 2.9Å; L1023-L1027 HydrophobicContact CD2-CD1 3.66Å; L1023-L1027 HydrophobicContact CD2-CG 4.03Å; L1023-L1027 VanDerWaalsContact O-CB 3.28Å; L1023-L1027 WeakPolarHBondContact O-CB 3.46Å; L1023-L1027 VanDerWaalsContact O-CG 3.23Å; L1023-L1027 WeakPolarHBondContact O-CG 3.46Å; L1023-L1027 PolarHBondContact O-N 2.67Å; L1023-L1065 HydrophobicContact CD1-CD2 3.63Å
1024	E	50.9	Low	56.9	Low	16 Å²	16	79 Å²	79	8%	0.075	37%	0.373	C	S	.	.	H	α-helix	trans	-62.5	-44.6	169.8	-80.5	173.2	-116.6	0	0	111	T1020 R1026 L1027 R1028 Q1113	T1020-E1024 WeakPolarHBondContact O-CB 3.47Å; T1020-E1024 VanDerWaalsContact O-CG 3.24Å; T1020-E1024 WeakPolarHBondContact O-CG 3.32Å; T1020-E1024 PolarHBondContact O-N 3.31Å; E1024-R1026 VanDerWaalsContact C-N 3.27Å; E1024-R1026 PolarHBondContact O-N 2.9Å; E1024-L1027 PolarHBondContact O-N 3.41Å; E1024-R1028 WeakPolarHBondContact O-CB 3.33Å; E1024-R1028 WeakPolarHBondContact O-CG 3.49Å; E1024-R1028 PolarHBondContact O-N 2.88Å; E1024-R1028 IonicContact OE2-CZ 2.67Å; E1024-R1028 IonicContact OE2-NH1 3.14Å; E1024-R1028 PolarHBondContact OE2-NH1 3.25Å; E1024-R1028 IonicContact OE2-NH2 2.65Å; E1024-R1028 PolarHBondContact OE2-NH2 2.55Å; E1024-Q1113 WeakPolarHBondContact CG-O 3.19Å
1025	A	61.3	Low	56.8	Low	39 Å²	39	75.8 Å²	75.8	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-40.5	177.4	0	0	0	0	0	111	E1021 Q1022 Q1029	E1021-A1025 VanDerWaalsContact O-CB 3.22Å; E1021-A1025 WeakPolarHBondContact O-CB 3.41Å; E1021-A1025 PolarHBondContact O-N 2.99Å; Q1022-A1025 PolarHBondContact O-N 3.23Å; A1025-Q1029 WeakPolarHBondContact O-CG 3.42Å; A1025-Q1029 PolarHBondContact O-N 3.5Å
1026	R	61.8	Low	57.2	Low	161 Å²	161	76 Å²	76	61%	0.608	35%	0.353	S	S	*	.	H	α-helix	trans	-68.4	-49.9	174.7	-171.6	173.3	-176.7	166.8	1.1	112.2	Q1022 L1023 E1024 R1028 Q1029 D1030	Q1022-R1026 WeakPolarHBondContact O-CB 3.26Å; Q1022-R1026 PolarHBondContact O-N 3.47Å; L1023-R1026 PolarHBondContact O-N 2.9Å; E1024-R1026 VanDerWaalsContact C-N 3.27Å; E1024-R1026 PolarHBondContact O-N 2.9Å; R1026-R1028 VanDerWaalsContact C-N 3.28Å; R1026-R1028 PolarHBondContact O-N 3Å; R1026-Q1029 CarbonylContact O-C 3.55Å; R1026-Q1029 WeakPolarHBondContact O-CA 3.41Å; R1026-Q1029 WeakPolarHBondContact O-CB 3.35Å; R1026-Q1029 PolarHBondContact O-N 3.28Å; R1026-D1030 PolarHBondContact O-N 3.5Å
1027	L	55.7	Low	57.4	Low	25 Å²	25	74.8 Å²	74.8	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-30.7	176	-73.1	165.8	0	0	0	112.5	L1023 E1024 R1031 L1056 H1115	L1023-L1027 HydrophobicContact CD2-CD1 3.66Å; L1023-L1027 HydrophobicContact CD2-CG 4.03Å; L1023-L1027 VanDerWaalsContact O-CB 3.28Å; L1023-L1027 WeakPolarHBondContact O-CB 3.46Å; L1023-L1027 VanDerWaalsContact O-CG 3.23Å; L1023-L1027 WeakPolarHBondContact O-CG 3.46Å; L1023-L1027 PolarHBondContact O-N 2.67Å; E1024-L1027 PolarHBondContact O-N 3.41Å; L1027-R1031 WeakPolarHBondContact O-CB 3.11Å; L1027-R1031 PolarHBondContact O-N 3.32Å; L1027-L1056 HydrophobicContact CD1-CD2 3.91Å; L1027-H1115 WeakPolarHBondContact CD1-NE2 3.4Å
1028	R	63.5	Low	57.6	Low	65 Å²	65	70.2 Å²	70.2	25%	0.245	33%	0.332	C	S	.	.	H	α-helix	trans	-71.8	-36	169.6	-73.1	174.8	-173.1	122.5	16	111.7	E1024 R1026 E1032 F1112	E1024-R1028 WeakPolarHBondContact O-CB 3.33Å; E1024-R1028 WeakPolarHBondContact O-CG 3.49Å; E1024-R1028 PolarHBondContact O-N 2.88Å; E1024-R1028 IonicContact OE2-CZ 2.67Å; E1024-R1028 IonicContact OE2-NH1 3.14Å; E1024-R1028 PolarHBondContact OE2-NH1 3.25Å; E1024-R1028 IonicContact OE2-NH2 2.65Å; E1024-R1028 PolarHBondContact OE2-NH2 2.55Å; R1026-R1028 VanDerWaalsContact C-N 3.28Å; R1026-R1028 PolarHBondContact O-N 3Å; R1028-E1032 WeakPolarHBondContact O-CB 3.03Å; R1028-E1032 VanDerWaalsContact O-CG 3.32Å; R1028-E1032 WeakPolarHBondContact O-CG 3.33Å; R1028-E1032 PolarHBondContact O-N 2.94Å; R1028-F1112 HydrophobicContact CG-CZ 4.42Å; R1028-F1112 PolarHBondContact NH2-O 2.76Å
1029	Q	62.8	Low	57.9	Low	41 Å²	41	72 Å²	72	19%	0.192	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-51.5	169.4	-74.2	-178.7	-70.7	0	0	111.1	R569 A1025 R1026 R1031 E1032 L1033	R569-Q1029 VanDerWaalsContact CZ-CG 3.46Å; R569-Q1029 VanDerWaalsContact NH1-CG 3.31Å; A1025-Q1029 WeakPolarHBondContact O-CG 3.42Å; A1025-Q1029 PolarHBondContact O-N 3.5Å; R1026-Q1029 CarbonylContact O-C 3.55Å; R1026-Q1029 WeakPolarHBondContact O-CA 3.41Å; R1026-Q1029 WeakPolarHBondContact O-CB 3.35Å; R1026-Q1029 PolarHBondContact O-N 3.28Å; Q1029-R1031 VanDerWaalsContact C-N 3.34Å; Q1029-R1031 PolarHBondContact O-N 3.15Å; Q1029-E1032 PolarHBondContact O-N 3.44Å; Q1029-E1032 VanDerWaalsContact O-N 3.16Å; Q1029-L1033 VanDerWaalsContact O-CB 3.25Å; Q1029-L1033 WeakPolarHBondContact O-CB 3.34Å; Q1029-L1033 PolarHBondContact O-N 3.01Å
1030	D	62.2	Low	58.2	Low	65 Å²	65	75 Å²	75	35%	0.348	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-37.9	-177.5	-66.2	-31	0	0	0	110.7	R1026 L1033 L1034	R1026-D1030 PolarHBondContact O-N 3.5Å; D1030-L1033 PolarHBondContact O-N 3.45Å; D1030-L1034 WeakPolarHBondContact O-CB 3.18Å; D1030-L1034 WeakPolarHBondContact O-CD1 3Å; D1030-L1034 WeakPolarHBondContact O-CG 3.37Å; D1030-L1034 PolarHBondContact O-N 3.34Å
1031	R	59.8	Low	57.5	Low	79 Å²	79	76.4 Å²	76.4	30%	0.298	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-44.8	169.9	-177.4	178.3	173.7	125.6	16.5	112.7	L1027 Q1029 L1033 L1034 E1035 E1049	L1027-R1031 WeakPolarHBondContact O-CB 3.11Å; L1027-R1031 PolarHBondContact O-N 3.32Å; Q1029-R1031 VanDerWaalsContact C-N 3.34Å; Q1029-R1031 PolarHBondContact O-N 3.15Å; R1031-L1033 VanDerWaalsContact C-N 3.25Å; R1031-L1033 PolarHBondContact O-N 3.4Å; R1031-L1034 PolarHBondContact O-N 3.15Å; R1031-E1035 HydrophobicContact CG-CG 4.31Å; R1031-E1035 IonicContact CZ-OE1 2.62Å; R1031-E1035 VanDerWaalsContact CZ-OE1 3.25Å; R1031-E1035 IonicContact NE-OE1 2.66Å; R1031-E1035 PolarHBondContact NE-OE1 3.37Å; R1031-E1035 IonicContact NH2-OE1 2.95Å; R1031-E1035 PolarHBondContact NH2-OE1 2.8Å; R1031-E1035 VanDerWaalsContact O-CB 3.29Å; R1031-E1035 WeakPolarHBondContact O-CB 3.31Å; R1031-E1035 WeakPolarHBondContact O-CG 3.42Å; R1031-E1035 PolarHBondContact O-N 2.99Å; R1031-E1049 IonicContact NH1-OE1 3.48Å; R1031-E1049 IonicContact NH2-OE1 3.45Å
1032	E	70.1	Confident	56.7	Low	86 Å²	86	75.4 Å²	75.4	40%	0.402	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-36.9	174.7	-81.4	-168.5	130.7	0	0	112	R569 R1028 Q1029 R1036	R569-E1032 IonicContact CZ-OE2 2.69Å; R569-E1032 IonicContact NH2-OE2 2.65Å; R569-E1032 PolarHBondContact NH2-OE2 2.85Å; R1028-E1032 WeakPolarHBondContact O-CB 3.03Å; R1028-E1032 VanDerWaalsContact O-CG 3.32Å; R1028-E1032 WeakPolarHBondContact O-CG 3.33Å; R1028-E1032 PolarHBondContact O-N 2.94Å; Q1029-E1032 PolarHBondContact O-N 3.44Å; Q1029-E1032 VanDerWaalsContact O-N 3.16Å; E1032-R1036 WeakPolarHBondContact O-CB 3.18Å; E1032-R1036 WeakPolarHBondContact O-CD 3.49Å; E1032-R1036 WeakPolarHBondContact O-CG 3.48Å; E1032-R1036 PolarHBondContact O-N 3.34Å; E1032-R1036 VanDerWaalsContact O-N 3.09Å; E1032-R1036 IonicContact OE1-NH2 3.23Å; E1032-R1036 IonicContact OE2-NH2 2.7Å
1033	L	65.5	Low	55.9	Low	87 Å²	87	71.1 Å²	71.1	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-73.4	-46.2	-179.6	-155.3	165.2	0	0	0	110.1	Q1029 D1030 R1031 R1036 L1037	Q1029-L1033 VanDerWaalsContact O-CB 3.25Å; Q1029-L1033 WeakPolarHBondContact O-CB 3.34Å; Q1029-L1033 PolarHBondContact O-N 3.01Å; D1030-L1033 PolarHBondContact O-N 3.45Å; R1031-L1033 VanDerWaalsContact C-N 3.25Å; R1031-L1033 PolarHBondContact O-N 3.4Å; L1033-R1036 PolarHBondContact O-N 2.94Å; L1033-L1037 HydrophobicContact CD2-CD1 3.43Å; L1033-L1037 VanDerWaalsContact CD2-CD1 3.43Å; L1033-L1037 HydrophobicContact CD2-CG 3.94Å; L1033-L1037 VanDerWaalsContact O-CG 3.27Å; L1033-L1037 WeakPolarHBondContact O-CG 3.1Å; L1033-L1037 PolarHBondContact O-N 3.4Å
1034	L	58	Low	55.7	Low	37 Å²	37	74.7 Å²	74.7	19%	0.194	35%	0.349	C	S	.	.	H	α-helix	trans	-67.8	-38.7	176.3	-70.9	164.4	0	0	0	112.5	D1030 R1031 R1036 L1037 A1038 I1048 W1051	D1030-L1034 WeakPolarHBondContact O-CB 3.18Å; D1030-L1034 WeakPolarHBondContact O-CD1 3Å; D1030-L1034 WeakPolarHBondContact O-CG 3.37Å; D1030-L1034 PolarHBondContact O-N 3.34Å; R1031-L1034 PolarHBondContact O-N 3.15Å; L1034-R1036 VanDerWaalsContact C-N 3.33Å; L1034-R1036 PolarHBondContact O-N 3.38Å; L1034-L1037 HydrophobicContact CD2-CD1 4.29Å; L1034-L1037 PolarHBondContact O-N 2.91Å; L1034-A1038 VanDerWaalsContact O-CB 3.32Å; L1034-A1038 WeakPolarHBondContact O-CB 3.23Å; L1034-A1038 PolarHBondContact O-N 2.93Å; L1034-I1048 HydrophobicContact CB-CD1 4.33Å; L1034-I1048 HydrophobicContact CB-CG2 3.79Å; L1034-I1048 HydrophobicContact CD1-CG2 4.22Å; L1034-I1048 HydrophobicContact CG-CG2 4.49Å; L1034-W1051 HydrophobicContact CD1-CE3 4.14Å; L1034-W1051 HydrophobicContact CD1-CZ3 3.76Å
1035	E	60.3	Low	55.6	Low	44 Å²	44	77.3 Å²	77.3	21%	0.206	37%	0.366	C	S	.	.	H	α-helix	trans	-65.9	-34.5	171.6	-79.7	-165.8	-147.5	0	0	112	R1031 R1039	R1031-E1035 HydrophobicContact CG-CG 4.31Å; R1031-E1035 IonicContact CZ-OE1 2.62Å; R1031-E1035 VanDerWaalsContact CZ-OE1 3.25Å; R1031-E1035 IonicContact NE-OE1 2.66Å; R1031-E1035 PolarHBondContact NE-OE1 3.37Å; R1031-E1035 IonicContact NH2-OE1 2.95Å; R1031-E1035 PolarHBondContact NH2-OE1 2.8Å; R1031-E1035 VanDerWaalsContact O-CB 3.29Å; R1031-E1035 WeakPolarHBondContact O-CB 3.31Å; R1031-E1035 WeakPolarHBondContact O-CG 3.42Å; R1031-E1035 PolarHBondContact O-N 2.99Å; E1035-R1039 WeakPolarHBondContact O-CB 3.46Å; E1035-R1039 WeakPolarHBondContact O-CD 3.24Å; E1035-R1039 WeakPolarHBondContact O-CG 3.5Å; E1035-R1039 PolarHBondContact O-N 3.37Å; E1035-R1039 VanDerWaalsContact O-N 3.07Å; E1035-R1039 IonicContact OE2-CZ 3.82Å; E1035-R1039 IonicContact OE2-NE 3.93Å; E1035-R1039 IonicContact OE2-NH2 2.68Å; E1035-R1039 PolarHBondContact OE2-NH2 2.69Å
1036	R	64.1	Low	55.3	Low	139 Å²	139	82.5 Å²	82.5	53%	0.525	38%	0.383	S	S	.	.	H	α-helix	trans	-67.2	-45.7	172.1	-74.6	167.6	-163.2	-179.4	10.3	111	E1032 L1033 L1034 A1038 R1039 Q1040	E1032-R1036 WeakPolarHBondContact O-CB 3.18Å; E1032-R1036 WeakPolarHBondContact O-CD 3.49Å; E1032-R1036 WeakPolarHBondContact O-CG 3.48Å; E1032-R1036 PolarHBondContact O-N 3.34Å; E1032-R1036 VanDerWaalsContact O-N 3.09Å; E1032-R1036 IonicContact OE1-NH2 3.23Å; E1032-R1036 IonicContact OE2-NH2 2.7Å; L1033-R1036 PolarHBondContact O-N 2.94Å; L1034-R1036 VanDerWaalsContact C-N 3.33Å; L1034-R1036 PolarHBondContact O-N 3.38Å; R1036-A1038 VanDerWaalsContact C-N 3.35Å; R1036-A1038 PolarHBondContact O-N 3.31Å; R1036-R1039 PolarHBondContact O-N 2.91Å; R1036-Q1040 WeakPolarHBondContact O-CB 3.49Å; R1036-Q1040 PolarHBondContact O-N 3.29Å
1037	L	51.3	Low	54.9	Low	58 Å²	58	80 Å²	80	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-59.9	-42.3	174.7	-69.7	168.9	0	0	0	111.6	L1033 L1034 Q1040 Y1041	L1033-L1037 HydrophobicContact CD2-CD1 3.43Å; L1033-L1037 VanDerWaalsContact CD2-CD1 3.43Å; L1033-L1037 HydrophobicContact CD2-CG 3.94Å; L1033-L1037 VanDerWaalsContact O-CG 3.27Å; L1033-L1037 WeakPolarHBondContact O-CG 3.1Å; L1033-L1037 PolarHBondContact O-N 3.4Å; L1034-L1037 HydrophobicContact CD2-CD1 4.29Å; L1034-L1037 PolarHBondContact O-N 2.91Å; L1037-Q1040 CarbonylContact O-C 3.53Å; L1037-Q1040 PolarHBondContact O-N 2.86Å; L1037-Q1040 VanDerWaalsContact O-N 3.11Å; L1037-Y1041 HydrophobicContact CB-CD2 4.33Å; L1037-Y1041 HydrophobicContact CD2-CD2 4.09Å; L1037-Y1041 HydrophobicContact CD2-CE2 3.7Å; L1037-Y1041 VanDerWaalsContact O-CB 3.32Å; L1037-Y1041 WeakPolarHBondContact O-CB 3.45Å; L1037-Y1041 PolarHBondContact O-N 3.45Å
1038	A	53.3	Low	54.7	Low	8 Å²	8	80 Å²	80	7%	0.066	38%	0.378	C	S	.	.	H	α-helix	trans	-60	-47.1	175.7	0	0	0	0	0	112.1	L1034 R1036 Q1040 Y1041 S1042 I1048	L1034-A1038 VanDerWaalsContact O-CB 3.32Å; L1034-A1038 WeakPolarHBondContact O-CB 3.23Å; L1034-A1038 PolarHBondContact O-N 2.93Å; R1036-A1038 VanDerWaalsContact C-N 3.35Å; R1036-A1038 PolarHBondContact O-N 3.31Å; A1038-Q1040 PolarHBondContact O-N 2.97Å; A1038-Y1041 PolarHBondContact O-N 3.28Å; A1038-S1042 WeakPolarHBondContact O-CA 3.41Å; A1038-S1042 PolarHBondContact O-N 3.06Å; A1038-I1048 HydrophobicContact CB-CD1 3.67Å
1039	R	56.8	Low	54.3	Low	176 Å²	176	79.9 Å²	79.9	66%	0.664	38%	0.381	S	S	*	.	H	α-helix	trans	-67.4	-15.6	176.6	-65.4	166.4	-161.7	-149.9	9.8	113.4	K680 E1035 R1036	K680-R1039 PolarHBondContact NZ-O 2.86Å; K680-R1039 VanDerWaalsContact NZ-O 3.08Å; E1035-R1039 WeakPolarHBondContact O-CB 3.46Å; E1035-R1039 WeakPolarHBondContact O-CD 3.24Å; E1035-R1039 WeakPolarHBondContact O-CG 3.5Å; E1035-R1039 PolarHBondContact O-N 3.37Å; E1035-R1039 VanDerWaalsContact O-N 3.07Å; E1035-R1039 IonicContact OE2-CZ 3.82Å; E1035-R1039 IonicContact OE2-NE 3.93Å; E1035-R1039 IonicContact OE2-NH2 2.68Å; E1035-R1039 PolarHBondContact OE2-NH2 2.69Å; R1036-R1039 PolarHBondContact O-N 2.91Å
1040	Q	52.5	Low	54.5	Low	121 Å²	121	80.8 Å²	80.8	57%	0.565	39%	0.391	S	S	*	.	H	α-helix	trans	-106	-13.4	-177.2	-170.4	168.3	18.2	0	0	113.8	E682 R1036 L1037 A1038	E682-Q1040 VanDerWaalsContact OE1-C 3.22Å; R1036-Q1040 WeakPolarHBondContact O-CB 3.49Å; R1036-Q1040 PolarHBondContact O-N 3.29Å; L1037-Q1040 CarbonylContact O-C 3.53Å; L1037-Q1040 PolarHBondContact O-N 2.86Å; L1037-Q1040 VanDerWaalsContact O-N 3.11Å; A1038-Q1040 PolarHBondContact O-N 2.97Å
1041	Y	36.9	Very low	54.5	Low	61 Å²	61	83.7 Å²	83.7	24%	0.239	40%	0.398	C	S	.	.	H	α-helix	trans	-133.7	9.1	-177.4	-69.3	-47.2	0	0	0	114.6	E671 E682 L1037 A1038 V1043	E671-Y1041 PolarHBondContact OE1-OH 3.15Å; E682-Y1041 PolarHBondContact OE1-N 3.35Å; L1037-Y1041 HydrophobicContact CB-CD2 4.33Å; L1037-Y1041 HydrophobicContact CD2-CD2 4.09Å; L1037-Y1041 HydrophobicContact CD2-CE2 3.7Å; L1037-Y1041 VanDerWaalsContact O-CB 3.32Å; L1037-Y1041 WeakPolarHBondContact O-CB 3.45Å; L1037-Y1041 PolarHBondContact O-N 3.45Å; A1038-Y1041 PolarHBondContact O-N 3.28Å; Y1041-V1043 PolarHBondContact O-N 3.13Å; Y1041-V1043 VanDerWaalsContact O-N 3.13Å
1042	S	36.3	Very low	54.5	Low	83 Å²	83	81.6 Å²	81.6	58%	0.58	39%	0.392	S	S	*	.			trans	55.9	18.2	-177.9	65.6	0	0	0	0	117.4	E682 A1038	E682-S1042 PolarHBondContact OE1-N 3.18Å; A1038-S1042 WeakPolarHBondContact O-CA 3.41Å; A1038-S1042 PolarHBondContact O-N 3.06Å
1043	V	38.5	Very low	54.5	Low	56 Å²	56	83.6 Å²	83.6	34%	0.339	40%	0.399	S	S	.	.			trans	-65.3	136.8	175.8	-179.8	0	0	0	0	109.6	Y1041 V1045 E1047 I1048	Y1041-V1043 PolarHBondContact O-N 3.13Å; Y1041-V1043 VanDerWaalsContact O-N 3.13Å; V1043-V1045 PolarHBondContact O-N 2.84Å; V1043-E1047 HydrophobicContact CG1-CB 4.34Å; V1043-E1047 WeakPolarHBondContact CG1-OE2 3.05Å; V1043-I1048 HydrophobicContact CB-CD1 4.39Å; V1043-I1048 HydrophobicContact CG1-CD1 3.98Å; V1043-I1048 HydrophobicContact CG1-CG1 4.24Å
1044	Q	47.4	Very low	54.7	Low	121 Å²	121	85 Å²	85	57%	0.565	40%	0.403	S	S	*	.			trans	-66.9	132.6	178.6	-70.2	-176.8	-48.1	0	0	109.7	E1046 E1047	Q1044-E1046 PolarHBondContact O-N 3.27Å; Q1044-E1046 VanDerWaalsContact O-N 3.11Å; Q1044-E1047 HydrophobicContact CB-CG 4.31Å; Q1044-E1047 PolarHBondContact O-N 2.62Å
1045	V	50.2	Low	54.6	Low	71 Å²	71	85.8 Å²	85.8	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-29.2	178.6	179.7	0	0	0	0	111.1	V1043 E1047 I1048 E1049	V1043-V1045 PolarHBondContact O-N 2.84Å; V1045-E1047 PolarHBondContact O-N 3.22Å; V1045-I1048 PolarHBondContact O-N 3.31Å; V1045-E1049 HydrophobicContact CG1-CG 4.33Å; V1045-E1049 PolarHBondContact O-N 3.27Å
1046	E	53.9	Low	54.4	Low	149 Å²	149	85.7 Å²	85.7	70%	0.696	41%	0.407	S	S	*	.	H	α-helix	trans	-62.7	-34.5	175.1	-62.3	176.9	-179.5	0	0	113.7	Q1044 S1050	Q1044-E1046 PolarHBondContact O-N 3.27Å; Q1044-E1046 VanDerWaalsContact O-N 3.11Å; E1046-S1050 WeakPolarHBondContact O-CB 3.47Å; E1046-S1050 PolarHBondContact O-N 3.19Å; E1046-S1050 PolarHBondContact O-OG 3.16Å
1047	E	53.2	Low	54.2	Low	108 Å²	108	81.6 Å²	81.6	51%	0.505	40%	0.402	S	S	.	.	H	α-helix	trans	-71.8	-33.2	175	-66.4	-177.1	131.5	0	0	111.8	V1043 Q1044 V1045 S1050 W1051	V1043-E1047 HydrophobicContact CG1-CB 4.34Å; V1043-E1047 WeakPolarHBondContact CG1-OE2 3.05Å; Q1044-E1047 HydrophobicContact CB-CG 4.31Å; Q1044-E1047 PolarHBondContact O-N 2.62Å; V1045-E1047 PolarHBondContact O-N 3.22Å; E1047-S1050 WeakPolarHBondContact CA-OG 3.43Å; E1047-S1050 PolarHBondContact O-OG 2.89Å; E1047-W1051 WeakPolarHBondContact O-CB 3.34Å; E1047-W1051 PolarHBondContact O-N 2.91Å
1048	I	51.6	Low	54.9	Low	24 Å²	24	83.7 Å²	83.7	12%	0.123	41%	0.406	C	S	.	.	H	α-helix	trans	-75.2	-39	175.3	-77.3	161.6	0	0	0	110.8	L1034 A1038 V1043 V1045 M1052	L1034-I1048 HydrophobicContact CB-CD1 4.33Å; L1034-I1048 HydrophobicContact CB-CG2 3.79Å; L1034-I1048 HydrophobicContact CD1-CG2 4.22Å; L1034-I1048 HydrophobicContact CG-CG2 4.49Å; A1038-I1048 HydrophobicContact CB-CD1 3.67Å; V1043-I1048 HydrophobicContact CB-CD1 4.39Å; V1043-I1048 HydrophobicContact CG1-CD1 3.98Å; V1043-I1048 HydrophobicContact CG1-CG1 4.24Å; V1045-I1048 PolarHBondContact O-N 3.31Å; I1048-M1052 VanDerWaalsContact O-CB 3.23Å; I1048-M1052 WeakPolarHBondContact O-CB 3.2Å; I1048-M1052 PolarHBondContact O-N 2.71Å
1049	E	55.3	Low	54.8	Low	63 Å²	63	85 Å²	85	29%	0.294	41%	0.412	S	S	.	.	H	α-helix	trans	-69.5	-33.3	173.3	-73	-160.4	173.7	0	0	112.6	R1031 V1045 K1053	R1031-E1049 IonicContact NH1-OE1 3.48Å; R1031-E1049 IonicContact NH2-OE1 3.45Å; V1045-E1049 HydrophobicContact CG1-CG 4.33Å; V1045-E1049 PolarHBondContact O-N 3.27Å; E1049-K1053 WeakPolarHBondContact O-CB 3.41Å; E1049-K1053 VanDerWaalsContact O-CD 3.28Å; E1049-K1053 WeakPolarHBondContact O-CD 3.23Å; E1049-K1053 WeakPolarHBondContact O-CG 3.27Å; E1049-K1053 PolarHBondContact O-N 2.84Å; E1049-K1053 IonicContact OE2-NZ 2.71Å
1050	S	66.5	Low	54.8	Low	60 Å²	60	83.1 Å²	83.1	42%	0.42	40%	0.404	S	S	.	.	H	α-helix	trans	-71.1	-42.9	174	71.8	0	0	0	0	111.6	E1046 E1047 K1053 Q1054	E1046-S1050 WeakPolarHBondContact O-CB 3.47Å; E1046-S1050 PolarHBondContact O-N 3.19Å; E1046-S1050 PolarHBondContact O-OG 3.16Å; E1047-S1050 WeakPolarHBondContact CA-OG 3.43Å; E1047-S1050 PolarHBondContact O-OG 2.89Å; S1050-K1053 PolarHBondContact O-N 3.36Å; S1050-Q1054 PolarHBondContact O-N 3.47Å
1051	W	63.3	Low	55.1	Low	127 Å²	127	83.4 Å²	83.4	48%	0.481	41%	0.41	S	S	.	.	H	α-helix	trans	-61	-44.8	172.3	179.2	76.1	0	0	0	112	L1034 E1047 K1053 Q1054 E1055	L1034-W1051 HydrophobicContact CD1-CE3 4.14Å; L1034-W1051 HydrophobicContact CD1-CZ3 3.76Å; E1047-W1051 WeakPolarHBondContact O-CB 3.34Å; E1047-W1051 PolarHBondContact O-N 2.91Å; W1051-K1053 VanDerWaalsContact C-N 3.32Å; W1051-K1053 PolarHBondContact O-N 3.19Å; W1051-Q1054 CarbonylContact O-C 3.51Å; W1051-Q1054 PolarHBondContact O-N 3.19Å; W1051-Q1054 VanDerWaalsContact O-N 3.17Å; W1051-E1055 HydrophobicContact CH2-CG 4.35Å; W1051-E1055 HydrophobicContact CZ2-CB 4.38Å; W1051-E1055 HydrophobicContact CZ2-CG 4.27Å; W1051-E1055 WeakPolarHBondContact O-CB 3.25Å; W1051-E1055 PolarHBondContact O-N 2.76Å
1052	M	60.2	Low	55.7	Low	34 Å²	34	85.1 Å²	85.1	17%	0.167	42%	0.42	C	S	.	.	H	α-helix	trans	-66.6	-33.3	178.5	-167.1	179.2	71.8	0	0	112	I1048 L1056	I1048-M1052 VanDerWaalsContact O-CB 3.23Å; I1048-M1052 WeakPolarHBondContact O-CB 3.2Å; I1048-M1052 PolarHBondContact O-N 2.71Å; M1052-L1056 HydrophobicContact CG-CD1 4.48Å; M1052-L1056 WeakPolarHBondContact O-CB 3.03Å; M1052-L1056 VanDerWaalsContact O-CG 3.26Å; M1052-L1056 WeakPolarHBondContact O-CG 3.21Å; M1052-L1056 PolarHBondContact O-N 2.85Å
1053	K	68.3	Low	55.9	Low	129 Å²	129	83.1 Å²	83.1	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-67.1	-42	170.2	-75.4	161.8	-172.9	153.6	0	111.8	E1049 S1050 W1051 A1057	E1049-K1053 WeakPolarHBondContact O-CB 3.41Å; E1049-K1053 VanDerWaalsContact O-CD 3.28Å; E1049-K1053 WeakPolarHBondContact O-CD 3.23Å; E1049-K1053 WeakPolarHBondContact O-CG 3.27Å; E1049-K1053 PolarHBondContact O-N 2.84Å; E1049-K1053 IonicContact OE2-NZ 2.71Å; S1050-K1053 PolarHBondContact O-N 3.36Å; W1051-K1053 VanDerWaalsContact C-N 3.32Å; W1051-K1053 PolarHBondContact O-N 3.19Å; K1053-A1057 WeakPolarHBondContact O-CB 3.37Å; K1053-A1057 PolarHBondContact O-N 3.1Å
1054	Q	70	Confident	56.4	Low	115 Å²	115	86 Å²	86	54%	0.537	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-42.1	174	-79	-173.1	-31.6	0	0	112.1	S1050 W1051 A1057 R1058	S1050-Q1054 PolarHBondContact O-N 3.47Å; W1051-Q1054 CarbonylContact O-C 3.51Å; W1051-Q1054 PolarHBondContact O-N 3.19Å; W1051-Q1054 VanDerWaalsContact O-N 3.17Å; Q1054-A1057 PolarHBondContact O-N 3.48Å; Q1054-R1058 WeakPolarHBondContact O-CB 3.45Å; Q1054-R1058 PolarHBondContact O-N 2.73Å
1055	E	56.1	Low	56.2	Low	55 Å²	55	81.4 Å²	81.4	26%	0.257	40%	0.401	S	S	.	.	H	α-helix	trans	-69.9	-38	179.4	-169.9	68.8	177.1	0	0	111.6	W1051 R1058 M1059	W1051-E1055 HydrophobicContact CH2-CG 4.35Å; W1051-E1055 HydrophobicContact CZ2-CB 4.38Å; W1051-E1055 HydrophobicContact CZ2-CG 4.27Å; W1051-E1055 WeakPolarHBondContact O-CB 3.25Å; W1051-E1055 PolarHBondContact O-N 2.76Å; E1055-R1058 PolarHBondContact O-N 3.25Å; E1055-R1058 IonicContact OE1-CZ 3.19Å; E1055-R1058 IonicContact OE1-NH1 2.89Å; E1055-R1058 PolarHBondContact OE1-NH1 2.65Å; E1055-R1058 IonicContact OE1-NH2 3.85Å; E1055-R1058 IonicContact OE2-CZ 2.71Å; E1055-R1058 IonicContact OE2-NH1 2.74Å; E1055-R1058 PolarHBondContact OE2-NH1 2.73Å; E1055-M1059 WeakPolarHBondContact O-CB 3.31Å; E1055-M1059 WeakPolarHBondContact O-CG 3.36Å; E1055-M1059 PolarHBondContact O-N 3.37Å
1056	L	55.8	Low	55.9	Low	42 Å²	42	85.5 Å²	85.5	22%	0.22	42%	0.416	C	S	.	.	H	α-helix	trans	-63.7	-39.5	170.4	-76.1	169.7	0	0	0	112.1	L1027 M1052 R1060 L1065	L1027-L1056 HydrophobicContact CD1-CD2 3.91Å; M1052-L1056 HydrophobicContact CG-CD1 4.48Å; M1052-L1056 WeakPolarHBondContact O-CB 3.03Å; M1052-L1056 VanDerWaalsContact O-CG 3.26Å; M1052-L1056 WeakPolarHBondContact O-CG 3.21Å; M1052-L1056 PolarHBondContact O-N 2.85Å; L1056-R1060 PolarHBondContact O-N 2.7Å; L1056-R1060 VanDerWaalsContact O-N 3.08Å; L1056-L1065 HydrophobicContact CD2-CD1 4.02Å
1057	A	61.3	Low	55.1	Low	52 Å²	52	81.8 Å²	81.8	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-42.9	172.6	0	0	0	0	0	111.6	K1053 Q1054 M1059 R1060 D1061	K1053-A1057 WeakPolarHBondContact O-CB 3.37Å; K1053-A1057 PolarHBondContact O-N 3.1Å; Q1054-A1057 PolarHBondContact O-N 3.48Å; A1057-M1059 PolarHBondContact O-N 3.21Å; A1057-R1060 WeakPolarHBondContact O-CB 3.49Å; A1057-R1060 PolarHBondContact O-N 2.89Å; A1057-R1060 VanDerWaalsContact O-N 3.12Å; A1057-D1061 PolarHBondContact O-N 3.28Å
1058	R	64.9	Low	54.3	Low	103 Å²	103	81.8 Å²	81.8	39%	0.389	40%	0.404	S	S	.	.	H	α-helix	trans	-61.8	-43	176.3	-148.5	-164	92.4	-124.5	-15.7	111.4	Q1054 E1055 R1060 D1061 E1062	Q1054-R1058 WeakPolarHBondContact O-CB 3.45Å; Q1054-R1058 PolarHBondContact O-N 2.73Å; E1055-R1058 PolarHBondContact O-N 3.25Å; E1055-R1058 IonicContact OE1-CZ 3.19Å; E1055-R1058 IonicContact OE1-NH1 2.89Å; E1055-R1058 PolarHBondContact OE1-NH1 2.65Å; E1055-R1058 IonicContact OE1-NH2 3.85Å; E1055-R1058 IonicContact OE2-CZ 2.71Å; E1055-R1058 IonicContact OE2-NH1 2.74Å; E1055-R1058 PolarHBondContact OE2-NH1 2.73Å; R1058-R1060 VanDerWaalsContact C-N 3.27Å; R1058-R1060 PolarHBondContact O-N 2.88Å; R1058-D1061 PolarHBondContact O-N 2.91Å; R1058-E1062 IonicContact CZ-OE1 3.55Å; R1058-E1062 IonicContact CZ-OE2 3.93Å; R1058-E1062 VanDerWaalsContact NE-CD 3.31Å; R1058-E1062 IonicContact NE-OE1 2.71Å; R1058-E1062 PolarHBondContact NE-OE1 2.82Å; R1058-E1062 IonicContact NE-OE2 3.42Å; R1058-E1062 IonicContact NH2-OE1 3.53Å; R1058-E1062 PolarHBondContact NH2-OE1 3.16Å; R1058-E1062 IonicContact NH2-OE2 3.77Å; R1058-E1062 PolarHBondContact NH2-OE2 3.43Å; R1058-E1062 VanDerWaalsContact O-CB 3.25Å; R1058-E1062 WeakPolarHBondContact O-CB 3.29Å; R1058-E1062 VanDerWaalsContact O-CG 3.29Å; R1058-E1062 WeakPolarHBondContact O-CG 3.33Å; R1058-E1062 PolarHBondContact O-N 3.17Å
1059	M	52.4	Low	53.5	Low	36 Å²	36	88.4 Å²	88.4	18%	0.177	44%	0.439	C	S	.	.	H	α-helix	trans	-65.1	-28.3	175.6	-73.1	-74.3	-70.9	0	0	112.8	E1055 A1057 Q1064 L1065	E1055-M1059 WeakPolarHBondContact O-CB 3.31Å; E1055-M1059 WeakPolarHBondContact O-CG 3.36Å; E1055-M1059 PolarHBondContact O-N 3.37Å; A1057-M1059 PolarHBondContact O-N 3.21Å; M1059-Q1064 HydrophobicContact CE-CB 3.62Å; M1059-Q1064 HydrophobicContact CE-CG 4.4Å; M1059-Q1064 PolarHBondContact O-N 3Å; M1059-Q1064 HydrophobicContact SD-CB 3.98Å; M1059-Q1064 HydrophobicContact SD-CG 4.28Å; M1059-L1065 HydrophobicContact CB-CD1 3.61Å; M1059-L1065 HydrophobicContact CB-CG 3.88Å; M1059-L1065 PolarHBondContact O-N 3.49Å
1060	R	55.9	Low	53.1	Low	135 Å²	135	89.8 Å²	89.8	51%	0.509	45%	0.448	S	S	.	.	H	α-helix	trans	-74.2	-49.6	170.5	-169	-178.2	-174.9	-178.3	2	111.6	L1056 A1057 R1058 E1062 G1063 L1065 D1068	L1056-R1060 PolarHBondContact O-N 2.7Å; L1056-R1060 VanDerWaalsContact O-N 3.08Å; A1057-R1060 WeakPolarHBondContact O-CB 3.49Å; A1057-R1060 PolarHBondContact O-N 2.89Å; A1057-R1060 VanDerWaalsContact O-N 3.12Å; R1058-R1060 VanDerWaalsContact C-N 3.27Å; R1058-R1060 PolarHBondContact O-N 2.88Å; R1060-E1062 VanDerWaalsContact C-N 3.31Å; R1060-E1062 PolarHBondContact O-N 2.83Å; R1060-G1063 PolarHBondContact O-N 2.98Å; R1060-L1065 HydrophobicContact CB-CB 4.49Å; R1060-D1068 IonicContact CZ-OD1 2.83Å; R1060-D1068 IonicContact NE-OD1 3.87Å; R1060-D1068 IonicContact NH2-OD1 3.49Å; R1060-D1068 PolarHBondContact NH2-OD1 2.83Å
1061	D	59.5	Low	52.6	Low	127 Å²	127	88.6 Å²	88.6	68%	0.679	44%	0.438	S	S	*	.	H	α-helix	trans	-65.9	-30.4	-179.9	-84.2	20.1	0	0	0	112.8	A1057 R1058 G1063	A1057-D1061 PolarHBondContact O-N 3.28Å; R1058-D1061 PolarHBondContact O-N 2.91Å; D1061-G1063 PolarHBondContact O-N 3.08Å
1062	E	49.6	Very low	52.2	Low	98 Å²	98	84.8 Å²	84.8	46%	0.458	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-1	171.4	-72.1	179.8	175.8	0	0	113.5	R1058 R1060 Q1064	R1058-E1062 IonicContact CZ-OE1 3.55Å; R1058-E1062 IonicContact CZ-OE2 3.93Å; R1058-E1062 VanDerWaalsContact NE-CD 3.31Å; R1058-E1062 IonicContact NE-OE1 2.71Å; R1058-E1062 PolarHBondContact NE-OE1 2.82Å; R1058-E1062 IonicContact NE-OE2 3.42Å; R1058-E1062 IonicContact NH2-OE1 3.53Å; R1058-E1062 PolarHBondContact NH2-OE1 3.16Å; R1058-E1062 IonicContact NH2-OE2 3.77Å; R1058-E1062 PolarHBondContact NH2-OE2 3.43Å; R1058-E1062 VanDerWaalsContact O-CB 3.25Å; R1058-E1062 WeakPolarHBondContact O-CB 3.29Å; R1058-E1062 VanDerWaalsContact O-CG 3.29Å; R1058-E1062 WeakPolarHBondContact O-CG 3.33Å; R1058-E1062 PolarHBondContact O-N 3.17Å; R1060-E1062 VanDerWaalsContact C-N 3.31Å; R1060-E1062 PolarHBondContact O-N 2.83Å; E1062-Q1064 HydrophobicContact CB-CG 4.24Å; E1062-Q1064 PolarHBondContact O-N 2.88Å; E1062-Q1064 PolarHBondContact OE2-NE2 2.76Å
1063	G	39.8	Very low	52.4	Low	41 Å²	41	84.1 Å²	84.1	42%	0.423	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	9.7	178.6	0	0	0	0	0	115.2	R1060 D1061	R1060-G1063 PolarHBondContact O-N 2.98Å; D1061-G1063 PolarHBondContact O-N 3.08Å
1064	Q	49.2	Very low	52.5	Low	116 Å²	116	80 Å²	80	54%	0.542	41%	0.409	S	S	.	.	S	Bend	trans	-74.8	-29.8	175.8	-57.9	-166.2	50.2	0	0	111.6	M1059 E1062	M1059-Q1064 HydrophobicContact CE-CB 3.62Å; M1059-Q1064 HydrophobicContact CE-CG 4.4Å; M1059-Q1064 PolarHBondContact O-N 3Å; M1059-Q1064 HydrophobicContact SD-CB 3.98Å; M1059-Q1064 HydrophobicContact SD-CG 4.28Å; E1062-Q1064 HydrophobicContact CB-CG 4.24Å; E1062-Q1064 PolarHBondContact O-N 2.88Å; E1062-Q1064 PolarHBondContact OE2-NE2 2.76Å
1065	L	43.7	Very low	52.2	Low	24 Å²	24	78.6 Å²	78.6	13%	0.126	41%	0.405	C	S	.	.	S	Bend	trans	-98.1	85.7	167	-69.6	170.4	0	0	0	110	L1023 L1056 M1059 R1060 I1067	L1023-L1065 HydrophobicContact CD1-CD2 3.63Å; L1056-L1065 HydrophobicContact CD2-CD1 4.02Å; M1059-L1065 HydrophobicContact CB-CD1 3.61Å; M1059-L1065 HydrophobicContact CB-CG 3.88Å; M1059-L1065 PolarHBondContact O-N 3.49Å; R1060-L1065 HydrophobicContact CB-CB 4.49Å; L1065-I1067 HydrophobicContact CB-CD1 4.36Å; L1065-I1067 HydrophobicContact CB-CG1 4.26Å; L1065-I1067 HydrophobicContact CD2-CD1 4.03Å; L1065-I1067 PolarHBondContact O-N 3.49Å
1066	Q	43.6	Very low	52.7	Low	158 Å²	158	77.5 Å²	77.5	74%	0.738	41%	0.405	S	S	*	.			trans	-72.1	70.3	168	-68.3	-170.2	-8.2	0	0	111
1067	I	37.1	Very low	53.4	Low	70 Å²	70	75.5 Å²	75.5	36%	0.359	40%	0.395	S	S	.	.			trans	-115.4	62.4	176.4	-46.5	-179.7	0	0	0	109.2	L1065 T1071	L1065-I1067 HydrophobicContact CB-CD1 4.36Å; L1065-I1067 HydrophobicContact CB-CG1 4.26Å; L1065-I1067 HydrophobicContact CD2-CD1 4.03Å; L1065-I1067 PolarHBondContact O-N 3.49Å; I1067-T1071 HydrophobicContact CG2-CG2 3.89Å
1068	D	36	Very low	54	Low	109 Å²	109	77.2 Å²	77.2	58%	0.583	39%	0.39	S	S	*	.			trans	-120.6	148.7	163.6	-71.9	-42.7	0	0	0	108.7	R1060	R1060-D1068 IonicContact CZ-OD1 2.83Å; R1060-D1068 IonicContact NE-OD1 3.87Å; R1060-D1068 IonicContact NH2-OD1 3.49Å; R1060-D1068 PolarHBondContact NH2-OD1 2.83Å
1069	N	35.5	Very low	54.3	Low	163 Å²	163	79.4 Å²	79.4	87%	0.872	41%	0.405	S	S	*	.	S	Bend	trans	73.1	82.3	-163.8	-55.3	-41.8	0	0	0	115.2
1070	L	45.6	Very low	55.4	Low	92 Å²	92	80 Å²	80	48%	0.482	41%	0.405	S	S	.	.	S	Bend	trans	57.7	107.6	175.7	-72	163.6	0	0	0	114.4	Q1074 L1075	L1070-Q1074 HydrophobicContact CD2-CB 4.4Å; L1070-L1075 HydrophobicContact CB-CD1 4.17Å; L1070-L1075 HydrophobicContact CB-CG 4.22Å; L1070-L1075 HydrophobicContact CD1-CD2 4.33Å
1071	T	57.4	Low	56.3	Low	34 Å²	34	73.7 Å²	73.7	21%	0.209	38%	0.382	C	S	.	.			trans	-58.8	143.8	171.5	58.2	0	0	0	0	110.4	I1067 W1073 Q1074 L1075	I1067-T1071 HydrophobicContact CG2-CG2 3.89Å; T1071-W1073 PolarHBondContact O-N 2.84Å; T1071-W1073 VanDerWaalsContact O-N 3.12Å; T1071-W1073 PolarHBondContact OG1-NE1 2.78Å; T1071-Q1074 WeakPolarHBondContact O-CB 3.39Å; T1071-Q1074 PolarHBondContact O-N 3.24Å; T1071-Q1074 VanDerWaalsContact OG1-CD 3.29Å; T1071-Q1074 WeakPolarHBondContact OG1-CG 3.35Å; T1071-Q1074 PolarHBondContact OG1-N 3.39Å; T1071-L1075 PolarHBondContact O-N 2.94Å
1072	S	54.1	Low	56.9	Low	47 Å²	47	71.6 Å²	71.6	33%	0.329	37%	0.368	S	S	.	.	H	α-helix	trans	-56.6	-31	-179	41.3	0	0	0	0	112.9	L1075 A1076 Y1114	S1072-L1075 PolarHBondContact O-N 3.39Å; S1072-A1076 WeakPolarHBondContact O-CB 3.47Å; S1072-A1076 PolarHBondContact O-N 2.88Å; S1072-Y1114 VanDerWaalsContact OG-CD1 3.26Å; S1072-Y1114 WeakPolarHBondContact OG-CD1 3.33Å; S1072-Y1114 WeakPolarHBondContact OG-CE1 3.24Å
1073	W	65.3	Low	58.1	Low	20 Å²	20	68.9 Å²	68.9	8%	0.076	36%	0.362	C	S	.	.	H	α-helix	trans	-68.7	-35.6	172.4	72.2	-99.9	0	0	0	114.4	T1071 L1075 A1076 E1077 M1110 Y1114 T1116 I1121 W1124	T1071-W1073 PolarHBondContact O-N 2.84Å; T1071-W1073 VanDerWaalsContact O-N 3.12Å; T1071-W1073 PolarHBondContact OG1-NE1 2.78Å; W1073-L1075 VanDerWaalsContact C-N 3.31Å; W1073-A1076 PolarHBondContact O-N 3.48Å; W1073-E1077 VanDerWaalsContact O-CB 3.28Å; W1073-E1077 WeakPolarHBondContact O-CB 3.49Å; W1073-E1077 PolarHBondContact O-N 2.8Å; W1073-M1110 HydrophobicContact CB-CE 4.13Å; W1073-Y1114 HydrophobicContact CB-CD1 4.12Å; W1073-Y1114 HydrophobicContact CB-CD2 3.55Å; W1073-Y1114 HydrophobicContact CB-CE2 4.2Å; W1073-Y1114 HydrophobicContact CB-CG 3.5Å; W1073-Y1114 HydrophobicContact CG-CG 4.5Å; W1073-T1116 VanDerWaalsContact CD1-CG2 3.5Å; W1073-T1116 HydrophobicContact CD2-CG2 4.07Å; W1073-T1116 HydrophobicContact CG-CG2 4.07Å; W1073-T1116 HydrophobicContact CZ2-CG2 4.01Å; W1073-I1121 HydrophobicContact CE3-CG1 4.1Å; W1073-I1121 HydrophobicContact CH2-CG1 4.26Å; W1073-I1121 HydrophobicContact CZ3-CB 4.4Å; W1073-I1121 HydrophobicContact CZ3-CG1 3.87Å; W1073-W1124 HydrophobicContact CH2-CB 3.53Å; W1073-W1124 HydrophobicContact CH2-CD2 4.2Å; W1073-W1124 AromaticContact CH2-CG 3.72Å; W1073-W1124 HydrophobicContact CH2-CG 3.72Å; W1073-W1124 HydrophobicContact CZ3-CB 3.89Å; W1073-W1124 AromaticContact CZ3-CD2 3.83Å; W1073-W1124 HydrophobicContact CZ3-CD2 3.83Å; W1073-W1124 AromaticContact CZ3-CE3 3.84Å; W1073-W1124 HydrophobicContact CZ3-CE3 3.84Å; W1073-W1124 AromaticContact CZ3-CG 3.85Å; W1073-W1124 HydrophobicContact CZ3-CG 3.85Å
1074	Q	69	Low	59.6	Low	43 Å²	43	68.2 Å²	68.2	20%	0.201	35%	0.349	C	S	.	.	H	α-helix	trans	-69.5	-33.1	175.5	-74.2	173.5	3.6	0	0	110.9	L1070 T1071 R1078 W1124	L1070-Q1074 HydrophobicContact CD2-CB 4.4Å; T1071-Q1074 WeakPolarHBondContact O-CB 3.39Å; T1071-Q1074 PolarHBondContact O-N 3.24Å; T1071-Q1074 VanDerWaalsContact OG1-CD 3.29Å; T1071-Q1074 WeakPolarHBondContact OG1-CG 3.35Å; T1071-Q1074 PolarHBondContact OG1-N 3.39Å; Q1074-R1078 WeakPolarHBondContact O-CB 3.34Å; Q1074-R1078 PolarHBondContact O-N 2.83Å; Q1074-W1124 HydrophobicContact CB-CZ2 3.98Å; Q1074-W1124 HydrophobicContact CG-CD2 4.12Å; Q1074-W1124 HydrophobicContact CG-CG 4.31Å; Q1074-W1124 HydrophobicContact CG-CZ2 4.07Å
1075	L	64.7	Low	60.6	Low	86 Å²	86	65.2 Å²	65.2	45%	0.45	34%	0.336	S	S	.	.	H	α-helix	trans	-68.5	-48.6	171	-79.8	163.8	0	0	0	111.4	L1070 T1071 S1072 W1073 R1078 E1079	L1070-L1075 HydrophobicContact CB-CD1 4.17Å; L1070-L1075 HydrophobicContact CB-CG 4.22Å; L1070-L1075 HydrophobicContact CD1-CD2 4.33Å; T1071-L1075 PolarHBondContact O-N 2.94Å; S1072-L1075 PolarHBondContact O-N 3.39Å; W1073-L1075 VanDerWaalsContact C-N 3.31Å; L1075-R1078 PolarHBondContact O-N 3.37Å; L1075-E1079 PolarHBondContact O-N 2.8Å
1076	A	66.5	Low	62	Low	32 Å²	32	70.5 Å²	70.5	26%	0.264	36%	0.358	S	S	.	.	H	α-helix	trans	-63.8	-46.5	179.4	0	0	0	0	0	112.9	S1072 W1073 R1078 E1079 R1080 M1110	S1072-A1076 WeakPolarHBondContact O-CB 3.47Å; S1072-A1076 PolarHBondContact O-N 2.88Å; W1073-A1076 PolarHBondContact O-N 3.48Å; A1076-R1078 VanDerWaalsContact C-N 3.33Å; A1076-R1078 PolarHBondContact O-N 2.76Å; A1076-E1079 PolarHBondContact O-N 2.82Å; A1076-R1080 WeakPolarHBondContact O-CB 3.49Å; A1076-R1080 PolarHBondContact O-N 3.38Å; A1076-M1110 HydrophobicContact CB-CE 4.02Å
1077	E	69.3	Low	63.2	Low	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-70.3	-29.4	176.9	-166.5	59.3	-148.1	0	0	111.6	W1073 R1080 L1081 H1106 M1110 W1124 L1125	W1073-E1077 VanDerWaalsContact O-CB 3.28Å; W1073-E1077 WeakPolarHBondContact O-CB 3.49Å; W1073-E1077 PolarHBondContact O-N 2.8Å; E1077-R1080 VanDerWaalsContact CD-NE 3.31Å; E1077-R1080 WeakPolarHBondContact O-CB 3.26Å; E1077-R1080 PolarHBondContact O-N 3.22Å; E1077-R1080 IonicContact OE1-CZ 3.65Å; E1077-R1080 IonicContact OE1-NE 2.7Å; E1077-R1080 PolarHBondContact OE1-NE 3.44Å; E1077-R1080 IonicContact OE1-NH2 2.8Å; E1077-R1080 PolarHBondContact OE1-NH2 3.25Å; E1077-R1080 WeakPolarHBondContact OE2-CD 3.49Å; E1077-R1080 IonicContact OE2-NE 3.12Å; E1077-R1080 PolarHBondContact OE2-NE 2.86Å; E1077-R1080 VanDerWaalsContact OE2-NE 3.1Å; E1077-L1081 WeakPolarHBondContact O-CB 3.48Å; E1077-L1081 VanDerWaalsContact O-CG 3.31Å; E1077-L1081 WeakPolarHBondContact O-CG 3.37Å; E1077-L1081 PolarHBondContact O-N 3.23Å; E1077-H1106 IonicContact OE2-CD2 3.36Å; E1077-H1106 IonicContact OE2-NE2 2.72Å; E1077-M1110 HydrophobicContact CB-CE 3.99Å; E1077-W1124 HydrophobicContact CB-CH2 4.39Å; E1077-W1124 HydrophobicContact CB-CZ3 3.88Å; E1077-W1124 HydrophobicContact CG-CE3 4.49Å; E1077-W1124 HydrophobicContact CG-CZ3 3.78Å; E1077-L1125 HydrophobicContact CG-CD2 3.81Å
1078	R	73.9	Confident	64.4	Low	88 Å²	88	70.4 Å²	70.4	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-70.8	-39.3	171.2	-176.7	168	166.2	-175.2	-8	112.5	Q1074 L1075 A1076 R1080 E1082 W1124	Q1074-R1078 WeakPolarHBondContact O-CB 3.34Å; Q1074-R1078 PolarHBondContact O-N 2.83Å; L1075-R1078 PolarHBondContact O-N 3.37Å; A1076-R1078 VanDerWaalsContact C-N 3.33Å; A1076-R1078 PolarHBondContact O-N 2.76Å; R1078-R1080 VanDerWaalsContact C-N 3.27Å; R1078-R1080 PolarHBondContact O-N 2.96Å; R1078-E1082 VanDerWaalsContact O-CB 3.29Å; R1078-E1082 WeakPolarHBondContact O-CB 3.45Å; R1078-E1082 WeakPolarHBondContact O-CG 3.33Å; R1078-E1082 PolarHBondContact O-N 2.79Å; R1078-W1124 HydrophobicContact CB-CH2 4.01Å
1079	E	71.5	Confident	65.4	Low	149 Å²	149	73.9 Å²	73.9	70%	0.696	37%	0.368	S	S	*	.	H	α-helix	trans	-62.8	-36.8	169.7	-75.5	-163.6	159.1	0	0	111	L1075 A1076 A1083	L1075-E1079 PolarHBondContact O-N 2.8Å; A1076-E1079 PolarHBondContact O-N 2.82Å; E1079-A1083 VanDerWaalsContact O-CB 3.23Å; E1079-A1083 WeakPolarHBondContact O-CB 3.12Å; E1079-A1083 PolarHBondContact O-N 3.11Å
1080	R	76.4	Confident	66.5	Low	48 Å²	48	72.6 Å²	72.6	18%	0.181	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-51.2	175.1	-156.9	-178.9	96	97.3	4.1	112.3	A1076 E1077 R1078 E1082 A1083 L1084 D1103 H1106	A1076-R1080 WeakPolarHBondContact O-CB 3.49Å; A1076-R1080 PolarHBondContact O-N 3.38Å; E1077-R1080 VanDerWaalsContact CD-NE 3.31Å; E1077-R1080 WeakPolarHBondContact O-CB 3.26Å; E1077-R1080 PolarHBondContact O-N 3.22Å; E1077-R1080 IonicContact OE1-CZ 3.65Å; E1077-R1080 IonicContact OE1-NE 2.7Å; E1077-R1080 PolarHBondContact OE1-NE 3.44Å; E1077-R1080 IonicContact OE1-NH2 2.8Å; E1077-R1080 PolarHBondContact OE1-NH2 3.25Å; E1077-R1080 WeakPolarHBondContact OE2-CD 3.49Å; E1077-R1080 IonicContact OE2-NE 3.12Å; E1077-R1080 PolarHBondContact OE2-NE 2.86Å; E1077-R1080 VanDerWaalsContact OE2-NE 3.1Å; R1078-R1080 VanDerWaalsContact C-N 3.27Å; R1078-R1080 PolarHBondContact O-N 2.96Å; R1080-E1082 VanDerWaalsContact C-N 3.34Å; R1080-E1082 PolarHBondContact O-N 2.99Å; R1080-A1083 CarbonylContact O-C 3.59Å; R1080-A1083 WeakPolarHBondContact O-CA 3.3Å; R1080-A1083 WeakPolarHBondContact O-CB 3.49Å; R1080-A1083 PolarHBondContact O-N 2.75Å; R1080-L1084 WeakPolarHBondContact O-CG 3.4Å; R1080-L1084 PolarHBondContact O-N 3.48Å; R1080-D1103 IonicContact CZ-OD2 3.49Å; R1080-D1103 IonicContact NH1-OD2 3.47Å; R1080-D1103 PolarHBondContact NH1-OD2 3.07Å; R1080-D1103 IonicContact NH2-OD2 3.43Å; R1080-D1103 PolarHBondContact NH2-OD2 3.45Å; R1080-H1106 WeakPolarHBondContact CD-NE2 3.14Å; R1080-H1106 PolarHBondContact NE-CD2 2.85Å; R1080-H1106 PolarHBondContact NE-NE2 3.46Å; R1080-H1106 PolarHBondContact NH1-CD2 2.86Å
1081	L	73.9	Confident	67.3	Low	3 Å²	3	70.7 Å²	70.7	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-56	-47.5	172.7	-77	173.6	0	0	0	111.2	E1077 A1083 L1084 I1085 L1100 W1124 L1125 E1128	E1077-L1081 WeakPolarHBondContact O-CB 3.48Å; E1077-L1081 VanDerWaalsContact O-CG 3.31Å; E1077-L1081 WeakPolarHBondContact O-CG 3.37Å; E1077-L1081 PolarHBondContact O-N 3.23Å; L1081-A1083 VanDerWaalsContact C-N 3.3Å; L1081-A1083 PolarHBondContact O-N 3.14Å; L1081-L1084 PolarHBondContact O-N 3.47Å; L1081-I1085 WeakPolarHBondContact O-CB 3.41Å; L1081-I1085 WeakPolarHBondContact O-CD1 3.35Å; L1081-I1085 WeakPolarHBondContact O-CG1 3.37Å; L1081-I1085 PolarHBondContact O-N 3.15Å; L1081-L1100 HydrophobicContact CD2-CD1 4.03Å; L1081-L1100 HydrophobicContact CD2-CD2 4.25Å; L1081-W1124 HydrophobicContact CD1-CH2 4.16Å; L1081-W1124 HydrophobicContact CD1-CZ3 3.95Å; L1081-L1125 HydrophobicContact CD1-CD2 3.83Å; L1081-L1125 HydrophobicContact CD2-CD2 4.04Å; L1081-L1125 HydrophobicContact CG-CD2 4.14Å; L1081-E1128 HydrophobicContact CD1-CB 4.43Å; L1081-E1128 HydrophobicContact CD1-CG 3.63Å
1082	E	72.6	Confident	67.5	Low	82 Å²	82	71.2 Å²	71.2	38%	0.383	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-35.5	175.1	-80.7	-162.4	-157.1	0	0	112.3	R1078 R1080 K1086	R1078-E1082 VanDerWaalsContact O-CB 3.29Å; R1078-E1082 WeakPolarHBondContact O-CB 3.45Å; R1078-E1082 WeakPolarHBondContact O-CG 3.33Å; R1078-E1082 PolarHBondContact O-N 2.79Å; R1080-E1082 VanDerWaalsContact C-N 3.34Å; R1080-E1082 PolarHBondContact O-N 2.99Å; E1082-K1086 WeakPolarHBondContact O-CB 3.5Å; E1082-K1086 WeakPolarHBondContact O-CD 3.33Å; E1082-K1086 WeakPolarHBondContact O-CG 3.33Å; E1082-K1086 PolarHBondContact O-N 2.94Å; E1082-K1086 WeakPolarHBondContact OE2-CE 3.2Å; E1082-K1086 IonicContact OE2-NZ 2.98Å; E1082-K1086 PolarHBondContact OE2-NZ 3.4Å
1083	A	74.9	Confident	67.8	Low	42 Å²	42	69.9 Å²	69.9	35%	0.347	34%	0.34	S	S	.	.	H	α-helix	trans	-68.5	-42.2	175.6	0	0	0	0	0	112.1	E1079 R1080 L1081 K1086 Q1087	E1079-A1083 VanDerWaalsContact O-CB 3.23Å; E1079-A1083 WeakPolarHBondContact O-CB 3.12Å; E1079-A1083 PolarHBondContact O-N 3.11Å; R1080-A1083 CarbonylContact O-C 3.59Å; R1080-A1083 WeakPolarHBondContact O-CA 3.3Å; R1080-A1083 WeakPolarHBondContact O-CB 3.49Å; R1080-A1083 PolarHBondContact O-N 2.75Å; L1081-A1083 VanDerWaalsContact C-N 3.3Å; L1081-A1083 PolarHBondContact O-N 3.14Å; A1083-K1086 CarbonylContact O-C 3.34Å; A1083-K1086 PolarHBondContact O-N 3.45Å; A1083-Q1087 WeakPolarHBondContact O-CB 3.19Å; A1083-Q1087 WeakPolarHBondContact O-CG 3.16Å; A1083-Q1087 PolarHBondContact O-N 2.89Å
1084	L	72.1	Confident	67.8	Low	27 Å²	27	76.5 Å²	76.5	14%	0.141	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-45.4	175.1	-66.8	176.3	0	0	0	111.1	R1080 L1081 K1086 Q1087 N1088 W1091	R1080-L1084 WeakPolarHBondContact O-CG 3.4Å; R1080-L1084 PolarHBondContact O-N 3.48Å; L1081-L1084 PolarHBondContact O-N 3.47Å; L1084-K1086 VanDerWaalsContact C-N 3.3Å; L1084-K1086 PolarHBondContact O-N 3.37Å; L1084-Q1087 PolarHBondContact O-N 2.92Å; L1084-N1088 PolarHBondContact O-N 3.4Å; L1084-W1091 HydrophobicContact CB-CE3 4.47Å; L1084-W1091 HydrophobicContact CB-CH2 4.07Å; L1084-W1091 HydrophobicContact CB-CZ3 3.71Å; L1084-W1091 HydrophobicContact CD1-CH2 4.2Å; L1084-W1091 HydrophobicContact CD1-CZ3 4Å; L1084-W1091 HydrophobicContact CD2-CH2 3.88Å; L1084-W1091 HydrophobicContact CD2-CZ3 4.35Å; L1084-W1091 HydrophobicContact CG-CH2 4.25Å; L1084-W1091 HydrophobicContact CG-CZ3 4.22Å
1085	I	70.1	Confident	67.9	Low	52 Å²	52	79.3 Å²	79.3	27%	0.267	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-31.5	174.4	-66.9	165.1	0	0	0	111.8	L1081 L1096 L1132	L1081-I1085 WeakPolarHBondContact O-CB 3.41Å; L1081-I1085 WeakPolarHBondContact O-CD1 3.35Å; L1081-I1085 WeakPolarHBondContact O-CG1 3.37Å; L1081-I1085 PolarHBondContact O-N 3.15Å; I1085-L1096 HydrophobicContact CD1-CD1 4.5Å; I1085-L1096 HydrophobicContact CG1-CD1 4.21Å; I1085-L1132 HydrophobicContact CD1-CD1 3.94Å
1086	K	73	Confident	68.1	Low	136 Å²	136	75.2 Å²	75.2	59%	0.591	36%	0.364	S	S	*	.	H	α-helix	trans	-74.2	-35.1	173.3	-75.5	159.7	-162.6	163.7	0	112.3	E1082 A1083 L1084	E1082-K1086 WeakPolarHBondContact O-CB 3.5Å; E1082-K1086 WeakPolarHBondContact O-CD 3.33Å; E1082-K1086 WeakPolarHBondContact O-CG 3.33Å; E1082-K1086 PolarHBondContact O-N 2.94Å; E1082-K1086 WeakPolarHBondContact OE2-CE 3.2Å; E1082-K1086 IonicContact OE2-NZ 2.98Å; E1082-K1086 PolarHBondContact OE2-NZ 3.4Å; A1083-K1086 CarbonylContact O-C 3.34Å; A1083-K1086 PolarHBondContact O-N 3.45Å; L1084-K1086 VanDerWaalsContact C-N 3.3Å; L1084-K1086 PolarHBondContact O-N 3.37Å
1087	Q	67.4	Low	68.3	Low	145 Å²	145	78.9 Å²	78.9	68%	0.678	37%	0.371	S	S	*	.	H	α-helix	trans	-72.4	-51.6	177.1	-77.3	-176.1	3.8	0	0	111.8	A1083 L1084	A1083-Q1087 WeakPolarHBondContact O-CB 3.19Å; A1083-Q1087 WeakPolarHBondContact O-CG 3.16Å; A1083-Q1087 PolarHBondContact O-N 2.89Å; L1084-Q1087 PolarHBondContact O-N 2.92Å
1088	N	62	Low	68.4	Low	80 Å²	80	81 Å²	81	43%	0.428	39%	0.388	S	S	.	.			trans	-118.8	93.7	-177.3	-78	-44.3	0	0	0	111.8	L1084 Q1090 W1091	L1084-N1088 PolarHBondContact O-N 3.4Å; N1088-Q1090 PolarHBondContact O-N 2.8Å; N1088-W1091 HydrophobicContact CB-CD2 4.05Å; N1088-W1091 HydrophobicContact CB-CG 3.96Å; N1088-W1091 HydrophobicContact CB-CZ2 4.42Å; N1088-W1091 PolarHBondContact ND2-NE1 3.03Å
1089	K	57.6	Low	68.3	Low	183 Å²	183	80.2 Å²	80.2	80%	0.796	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	2	178.1	-64.9	-178.7	179.3	175.5	0	115.3
1090	Q	58.7	Low	68.2	Low	136 Å²	136	73.5 Å²	73.5	64%	0.636	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-2.2	-171.4	-58.1	-155.5	-99.9	0	0	114.1	N1088 S1092 E1141	N1088-Q1090 PolarHBondContact O-N 2.8Å; Q1090-S1092 PolarHBondContact O-N 3.16Å; Q1090-S1092 VanDerWaalsContact O-N 3.17Å; Q1090-E1141 WeakPolarHBondContact CG-OE1 3.34Å; Q1090-E1141 PolarHBondContact NE2-OE1 2.88Å
1091	W	63.3	Low	67.8	Low	52 Å²	52	78.3 Å²	78.3	20%	0.197	38%	0.382	C	S	.	.			trans	-63.4	120.1	-179.1	-74.9	-3	0	0	0	111.4	L1084 N1088 L1096 E1099	L1084-W1091 HydrophobicContact CB-CE3 4.47Å; L1084-W1091 HydrophobicContact CB-CH2 4.07Å; L1084-W1091 HydrophobicContact CB-CZ3 3.71Å; L1084-W1091 HydrophobicContact CD1-CH2 4.2Å; L1084-W1091 HydrophobicContact CD1-CZ3 4Å; L1084-W1091 HydrophobicContact CD2-CH2 3.88Å; L1084-W1091 HydrophobicContact CD2-CZ3 4.35Å; L1084-W1091 HydrophobicContact CG-CH2 4.25Å; L1084-W1091 HydrophobicContact CG-CZ3 4.22Å; N1088-W1091 HydrophobicContact CB-CD2 4.05Å; N1088-W1091 HydrophobicContact CB-CG 3.96Å; N1088-W1091 HydrophobicContact CB-CZ2 4.42Å; N1088-W1091 PolarHBondContact ND2-NE1 3.03Å; W1091-L1096 HydrophobicContact CB-CB 4.32Å; W1091-L1096 HydrophobicContact CE3-CB 3.89Å; W1091-L1096 HydrophobicContact CE3-CD1 3.97Å; W1091-L1096 HydrophobicContact CE3-CG 4.08Å; W1091-L1096 HydrophobicContact CZ3-CD1 4.44Å; W1091-L1096 HydrophobicContact CZ3-CG 4.45Å; W1091-E1099 HydrophobicContact CH2-CB 3.97Å; W1091-E1099 HydrophobicContact CH2-CG 3.69Å; W1091-E1099 HydrophobicContact CZ2-CB 4.41Å; W1091-E1099 HydrophobicContact CZ2-CG 4.01Å; W1091-E1099 HydrophobicContact CZ3-CB 4.25Å; W1091-E1099 HydrophobicContact CZ3-CG 4.45Å
1092	S	62.1	Low	67.6	Low	45 Å²	45	84.8 Å²	84.8	32%	0.315	41%	0.41	S	S	.	.			trans	-64.8	162.6	165.9	64.3	0	0	0	0	111.1	Q1090 E1094 E1095 L1096	Q1090-S1092 PolarHBondContact O-N 3.16Å; Q1090-S1092 VanDerWaalsContact O-N 3.17Å; S1092-E1094 PolarHBondContact O-N 3.22Å; S1092-E1095 VanDerWaalsContact CB-OE2 3.24Å; S1092-E1095 WeakPolarHBondContact CB-OE2 3.2Å; S1092-E1095 PolarHBondContact N-OE2 2.8Å; S1092-E1095 PolarHBondContact O-N 3.47Å; S1092-E1095 WeakPolarHBondContact OG-CB 3.34Å; S1092-E1095 VanDerWaalsContact OG-CD 3.31Å; S1092-E1095 VanDerWaalsContact OG-CG 3.3Å; S1092-E1095 WeakPolarHBondContact OG-CG 3.24Å; S1092-E1095 PolarHBondContact OG-N 3.18Å; S1092-E1095 VanDerWaalsContact OG-N 3.09Å; S1092-E1095 PolarHBondContact OG-OE2 3.43Å; S1092-L1096 PolarHBondContact O-N 3.38Å
1093	A	60.2	Low	67.4	Low	18 Å²	18	83.4 Å²	83.4	15%	0.149	41%	0.405	C	S	.	.	H	α-helix	trans	-63.8	-17.6	174.5	0	0	0	0	0	113.2	R1097	A1093-R1097 WeakPolarHBondContact O-CB 3.23Å; A1093-R1097 VanDerWaalsContact O-CD 3.3Å; A1093-R1097 WeakPolarHBondContact O-CD 3.21Å; A1093-R1097 WeakPolarHBondContact O-CG 3.43Å; A1093-R1097 PolarHBondContact O-N 2.79Å
1094	E	65.3	Low	67.3	Low	159 Å²	159	87.9 Å²	87.9	74%	0.743	41%	0.413	S	S	*	.	H	α-helix	trans	-86.2	-40.9	175.1	-67.6	177.6	-176.7	0	0	111.3	S1092 R1097 A1098	S1092-E1094 PolarHBondContact O-N 3.22Å; E1094-R1097 PolarHBondContact O-N 3.46Å; E1094-A1098 WeakPolarHBondContact O-CB 3.23Å; E1094-A1098 PolarHBondContact O-N 2.78Å
1095	E	69.4	Low	67	Low	103 Å²	103	94 Å²	94	48%	0.481	44%	0.441	S	S	.	.	H	α-helix	trans	-68	-42.6	174.2	-70.6	159.6	128.3	0	0	112.4	S1092 R1097 A1098 E1099	S1092-E1095 VanDerWaalsContact CB-OE2 3.24Å; S1092-E1095 WeakPolarHBondContact CB-OE2 3.2Å; S1092-E1095 PolarHBondContact N-OE2 2.8Å; S1092-E1095 PolarHBondContact O-N 3.47Å; S1092-E1095 WeakPolarHBondContact OG-CB 3.34Å; S1092-E1095 VanDerWaalsContact OG-CD 3.31Å; S1092-E1095 VanDerWaalsContact OG-CG 3.3Å; S1092-E1095 WeakPolarHBondContact OG-CG 3.24Å; S1092-E1095 PolarHBondContact OG-N 3.18Å; S1092-E1095 VanDerWaalsContact OG-N 3.09Å; S1092-E1095 PolarHBondContact OG-OE2 3.43Å; E1095-R1097 VanDerWaalsContact C-N 3.29Å; E1095-R1097 PolarHBondContact O-N 3.36Å; E1095-A1098 PolarHBondContact O-N 3.33Å; E1095-E1099 WeakPolarHBondContact O-CB 3.41Å; E1095-E1099 PolarHBondContact O-N 3.26Å
1096	L	69.9	Low	67.1	Low	0 Å²	0	94 Å²	94	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-64.3	-35.5	175.2	177.8	144.3	0	0	0	111.2	I1085 W1091 S1092 L1100 I1129 L1138	I1085-L1096 HydrophobicContact CD1-CD1 4.5Å; I1085-L1096 HydrophobicContact CG1-CD1 4.21Å; W1091-L1096 HydrophobicContact CB-CB 4.32Å; W1091-L1096 HydrophobicContact CE3-CB 3.89Å; W1091-L1096 HydrophobicContact CE3-CD1 3.97Å; W1091-L1096 HydrophobicContact CE3-CG 4.08Å; W1091-L1096 HydrophobicContact CZ3-CD1 4.44Å; W1091-L1096 HydrophobicContact CZ3-CG 4.45Å; S1092-L1096 PolarHBondContact O-N 3.38Å; L1096-L1100 HydrophobicContact CD2-CD1 3.54Å; L1096-L1100 HydrophobicContact CG-CD1 4.07Å; L1096-L1100 WeakPolarHBondContact O-CB 3.26Å; L1096-L1100 WeakPolarHBondContact O-CD1 3.33Å; L1096-L1100 WeakPolarHBondContact O-CG 3.25Å; L1096-L1100 PolarHBondContact O-N 3.26Å; L1096-L1100 VanDerWaalsContact O-N 3.11Å; L1096-I1129 HydrophobicContact CD2-CD1 3.63Å; L1096-I1129 HydrophobicContact CD2-CG1 3.56Å; L1096-L1138 HydrophobicContact CD1-CD1 4.33Å; L1096-L1138 HydrophobicContact CD1-CD2 3.88Å; L1096-L1138 HydrophobicContact CD2-CD1 4.07Å
1097	R	70.8	Confident	67	Low	108 Å²	108	87.8 Å²	87.8	41%	0.408	41%	0.413	S	S	.	.	H	α-helix	trans	-64.1	-49.4	170.7	-81.5	174.1	174.3	-170.6	-6.3	111.3	A1093 E1094 E1095 E1099 L1100 E1101 I1129	A1093-R1097 WeakPolarHBondContact O-CB 3.23Å; A1093-R1097 VanDerWaalsContact O-CD 3.3Å; A1093-R1097 WeakPolarHBondContact O-CD 3.21Å; A1093-R1097 WeakPolarHBondContact O-CG 3.43Å; A1093-R1097 PolarHBondContact O-N 2.79Å; E1094-R1097 PolarHBondContact O-N 3.46Å; E1095-R1097 VanDerWaalsContact C-N 3.29Å; E1095-R1097 PolarHBondContact O-N 3.36Å; R1097-E1099 VanDerWaalsContact C-N 3.31Å; R1097-E1099 PolarHBondContact O-N 3.28Å; R1097-L1100 PolarHBondContact O-N 3.03Å; R1097-E1101 VanDerWaalsContact O-CB 3.3Å; R1097-E1101 WeakPolarHBondContact O-CB 3.32Å; R1097-E1101 PolarHBondContact O-N 3.21Å; R1097-I1129 HydrophobicContact CG-CD1 4.03Å
1098	A	72.3	Confident	67.1	Low	44 Å²	44	85.9 Å²	85.9	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-64.8	-31	-179.2	0	0	0	0	0	113.5	E1094 E1095 K1102	E1094-A1098 WeakPolarHBondContact O-CB 3.23Å; E1094-A1098 PolarHBondContact O-N 2.78Å; E1095-A1098 PolarHBondContact O-N 3.33Å; A1098-K1102 WeakPolarHBondContact O-CG 3.29Å; A1098-K1102 PolarHBondContact O-N 2.86Å; A1098-K1102 VanDerWaalsContact O-N 3.15Å
1099	E	70.4	Confident	67.6	Low	72 Å²	72	85 Å²	85	34%	0.336	40%	0.401	S	S	.	.	H	α-helix	trans	-75.3	-41.2	174.9	-151.3	70.4	-173.6	0	0	111.6	W1091 E1095 R1097 E1101 K1102 D1103	W1091-E1099 HydrophobicContact CH2-CB 3.97Å; W1091-E1099 HydrophobicContact CH2-CG 3.69Å; W1091-E1099 HydrophobicContact CZ2-CB 4.41Å; W1091-E1099 HydrophobicContact CZ2-CG 4.01Å; W1091-E1099 HydrophobicContact CZ3-CB 4.25Å; W1091-E1099 HydrophobicContact CZ3-CG 4.45Å; E1095-E1099 WeakPolarHBondContact O-CB 3.41Å; E1095-E1099 PolarHBondContact O-N 3.26Å; R1097-E1099 VanDerWaalsContact C-N 3.31Å; R1097-E1099 PolarHBondContact O-N 3.28Å; E1099-E1101 VanDerWaalsContact C-N 3.28Å; E1099-E1101 PolarHBondContact O-N 3.47Å; E1099-K1102 WeakPolarHBondContact O-CB 3.32Å; E1099-K1102 PolarHBondContact O-N 3.08Å; E1099-K1102 IonicContact OE1-NZ 2.69Å; E1099-K1102 IonicContact OE2-NZ 3.44Å; E1099-K1102 PolarHBondContact OE2-NZ 3.08Å; E1099-D1103 PolarHBondContact O-N 3.31Å
1100	L	69.3	Low	67.9	Low	8 Å²	8	76.7 Å²	76.7	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-33	172.6	-69.6	169	0	0	0	112.3	L1081 L1096 R1097 D1103 M1107 L1125 I1129	L1081-L1100 HydrophobicContact CD2-CD1 4.03Å; L1081-L1100 HydrophobicContact CD2-CD2 4.25Å; L1096-L1100 HydrophobicContact CD2-CD1 3.54Å; L1096-L1100 HydrophobicContact CG-CD1 4.07Å; L1096-L1100 WeakPolarHBondContact O-CB 3.26Å; L1096-L1100 WeakPolarHBondContact O-CD1 3.33Å; L1096-L1100 WeakPolarHBondContact O-CG 3.25Å; L1096-L1100 PolarHBondContact O-N 3.26Å; L1096-L1100 VanDerWaalsContact O-N 3.11Å; R1097-L1100 PolarHBondContact O-N 3.03Å; L1100-D1103 CarbonylContact O-C 3.57Å; L1100-D1103 PolarHBondContact O-N 2.79Å; L1100-M1107 WeakPolarHBondContact O-CE 3.07Å; L1100-L1125 HydrophobicContact CD1-CD1 4.43Å; L1100-L1125 HydrophobicContact CD1-CD2 4.21Å; L1100-L1125 HydrophobicContact CD2-CD1 4.25Å; L1100-L1125 HydrophobicContact CD2-CD2 4.37Å; L1100-I1129 HydrophobicContact CD1-CD1 3.8Å
1101	E	68.2	Low	68.2	Low	149 Å²	149	70.7 Å²	70.7	70%	0.696	34%	0.339	S	S	*	.	H	α-helix	trans	-73.7	-29	176.8	-168	168.1	-160.1	0	0	112.8	R1097 E1099	R1097-E1101 VanDerWaalsContact O-CB 3.3Å; R1097-E1101 WeakPolarHBondContact O-CB 3.32Å; R1097-E1101 PolarHBondContact O-N 3.21Å; E1099-E1101 VanDerWaalsContact C-N 3.28Å; E1099-E1101 PolarHBondContact O-N 3.47Å
1102	K	70.5	Confident	67.2	Low	140 Å²	140	73.9 Å²	73.9	61%	0.609	36%	0.355	S	S	*	.	H	α-helix	trans	-68	-41.1	164.6	-68.6	166.4	-164.3	165.6	0	111.5	A1098 E1099 R1104	A1098-K1102 WeakPolarHBondContact O-CG 3.29Å; A1098-K1102 PolarHBondContact O-N 2.86Å; A1098-K1102 VanDerWaalsContact O-N 3.15Å; E1099-K1102 WeakPolarHBondContact O-CB 3.32Å; E1099-K1102 PolarHBondContact O-N 3.08Å; E1099-K1102 IonicContact OE1-NZ 2.69Å; E1099-K1102 IonicContact OE2-NZ 3.44Å; E1099-K1102 PolarHBondContact OE2-NZ 3.08Å; K1102-R1104 PolarHBondContact O-N 2.98Å
1103	D	68.6	Low	67.1	Low	52 Å²	52	75.2 Å²	75.2	28%	0.278	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	22.4	178.3	-99.2	-17.6	0	0	0	113.6	R1080 E1099 L1100 E1105 H1106 M1107	R1080-D1103 IonicContact CZ-OD2 3.49Å; R1080-D1103 IonicContact NH1-OD2 3.47Å; R1080-D1103 PolarHBondContact NH1-OD2 3.07Å; R1080-D1103 IonicContact NH2-OD2 3.43Å; R1080-D1103 PolarHBondContact NH2-OD2 3.45Å; E1099-D1103 PolarHBondContact O-N 3.31Å; L1100-D1103 CarbonylContact O-C 3.57Å; L1100-D1103 PolarHBondContact O-N 2.79Å; D1103-E1105 PolarHBondContact O-N 3.27Å; D1103-H1106 HydrophobicContact CB-CB 4.12Å; D1103-H1106 CarbonylContact O-C 3.52Å; D1103-H1106 WeakPolarHBondContact O-CA 3.24Å; D1103-H1106 WeakPolarHBondContact O-CB 3.23Å; D1103-H1106 PolarHBondContact O-N 2.69Å; D1103-M1107 PolarHBondContact O-N 2.85Å
1104	R	72.7	Confident	66.8	Low	137 Å²	137	76.3 Å²	76.3	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-57.7	-29.8	171.6	-164	172.2	-163.1	-178.5	3.5	112.9	K1102 M1107 Q1108 E1122	K1102-R1104 PolarHBondContact O-N 2.98Å; R1104-M1107 HydrophobicContact CB-CE 4.18Å; R1104-M1107 HydrophobicContact CG-CE 4.23Å; R1104-M1107 PolarHBondContact O-N 3.49Å; R1104-Q1108 WeakPolarHBondContact O-CB 3.49Å; R1104-Q1108 VanDerWaalsContact O-CG 3.23Å; R1104-Q1108 WeakPolarHBondContact O-CG 3.36Å; R1104-Q1108 PolarHBondContact O-N 3.16Å; R1104-E1122 IonicContact NE-OE1 3.39Å
1105	E	64.8	Low	66.1	Low	155 Å²	155	72.3 Å²	72.3	72%	0.724	34%	0.338	S	S	*	.	H	α-helix	trans	-66.1	-37.1	169.2	-67.2	-171.9	172.9	0	0	112	D1103 T1109	D1103-E1105 PolarHBondContact O-N 3.27Å; E1105-T1109 WeakPolarHBondContact O-CB 3.15Å; E1105-T1109 PolarHBondContact O-N 2.87Å; E1105-T1109 PolarHBondContact O-OG1 3.4Å
1106	H	73.5	Confident	65.6	Low	52 Å²	52	68.6 Å²	68.6	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-70.2	-42.1	172.4	-170.8	65.9	0	0	0	111.7	E1077 R1080 D1103 Q1108 T1109 M1110	E1077-H1106 IonicContact OE2-CD2 3.36Å; E1077-H1106 IonicContact OE2-NE2 2.72Å; R1080-H1106 WeakPolarHBondContact CD-NE2 3.14Å; R1080-H1106 PolarHBondContact NE-CD2 2.85Å; R1080-H1106 PolarHBondContact NE-NE2 3.46Å; R1080-H1106 PolarHBondContact NH1-CD2 2.86Å; D1103-H1106 HydrophobicContact CB-CB 4.12Å; D1103-H1106 CarbonylContact O-C 3.52Å; D1103-H1106 WeakPolarHBondContact O-CA 3.24Å; D1103-H1106 WeakPolarHBondContact O-CB 3.23Å; D1103-H1106 PolarHBondContact O-N 2.69Å; H1106-Q1108 VanDerWaalsContact C-N 3.33Å; H1106-Q1108 PolarHBondContact O-N 3.23Å; H1106-T1109 CarbonylContact O-C 3.52Å; H1106-T1109 WeakPolarHBondContact O-CA 3.31Å; H1106-T1109 WeakPolarHBondContact O-CB 3.34Å; H1106-T1109 PolarHBondContact O-N 2.92Å; H1106-T1109 VanDerWaalsContact O-N 3.08Å; H1106-M1110 WeakPolarHBondContact NE2-CG 3.31Å; H1106-M1110 WeakPolarHBondContact O-CB 3.26Å; H1106-M1110 VanDerWaalsContact O-CG 3.31Å; H1106-M1110 WeakPolarHBondContact O-CG 3.29Å; H1106-M1110 PolarHBondContact O-N 2.86Å
1107	M	70.6	Confident	65.1	Low	6 Å²	6	70.8 Å²	70.8	3%	0.03	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-37.7	174.8	-62.5	-167.9	-68.7	0	0	112	L1100 D1103 R1104 M1110 A1111 V1118 I1121 E1122 L1125	L1100-M1107 WeakPolarHBondContact O-CE 3.07Å; D1103-M1107 PolarHBondContact O-N 2.85Å; R1104-M1107 HydrophobicContact CB-CE 4.18Å; R1104-M1107 HydrophobicContact CG-CE 4.23Å; R1104-M1107 PolarHBondContact O-N 3.49Å; M1107-M1110 PolarHBondContact O-N 2.75Å; M1107-A1111 WeakPolarHBondContact O-CB 3.38Å; M1107-A1111 PolarHBondContact O-N 2.68Å; M1107-V1118 HydrophobicContact CB-CG1 4.11Å; M1107-I1121 HydrophobicContact CB-CG2 4.18Å; M1107-I1121 HydrophobicContact CG-CG2 3.89Å; M1107-I1121 WeakPolarHBondContact O-CD1 3.47Å; M1107-I1121 HydrophobicContact SD-CG2 3.93Å; M1107-E1122 HydrophobicContact CE-CG 3.81Å; M1107-E1122 HydrophobicContact SD-CG 3.86Å; M1107-L1125 HydrophobicContact CG-CD1 4.27Å; M1107-L1125 HydrophobicContact SD-CD1 3.44Å; M1107-L1125 WeakPolarHBondContact SD-CD1 3.31Å
1108	Q	69.1	Low	65.1	Low	105 Å²	105	67.1 Å²	67.1	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-40.4	169.6	-77.2	172.4	-3.2	0	0	112	R1104 H1106 F1112 V1118	R1104-Q1108 WeakPolarHBondContact O-CB 3.49Å; R1104-Q1108 VanDerWaalsContact O-CG 3.23Å; R1104-Q1108 WeakPolarHBondContact O-CG 3.36Å; R1104-Q1108 PolarHBondContact O-N 3.16Å; H1106-Q1108 VanDerWaalsContact C-N 3.33Å; H1106-Q1108 PolarHBondContact O-N 3.23Å; Q1108-F1112 VanDerWaalsContact O-CB 3.25Å; Q1108-F1112 WeakPolarHBondContact O-CB 3.46Å; Q1108-F1112 PolarHBondContact O-N 3.18Å; Q1108-V1118 HydrophobicContact CB-CG2 4.46Å; Q1108-V1118 HydrophobicContact CG-CG2 3.8Å
1109	T	71.6	Confident	65	Low	62 Å²	62	70.4 Å²	70.4	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-65.4	-42.1	175.9	-58.2	0	0	0	0	111.5	E1105 H1106 F1112 Q1113	E1105-T1109 WeakPolarHBondContact O-CB 3.15Å; E1105-T1109 PolarHBondContact O-N 2.87Å; E1105-T1109 PolarHBondContact O-OG1 3.4Å; H1106-T1109 CarbonylContact O-C 3.52Å; H1106-T1109 WeakPolarHBondContact O-CA 3.31Å; H1106-T1109 WeakPolarHBondContact O-CB 3.34Å; H1106-T1109 PolarHBondContact O-N 2.92Å; H1106-T1109 VanDerWaalsContact O-N 3.08Å; T1109-F1112 CarbonylContact O-C 3.5Å; T1109-F1112 PolarHBondContact O-N 2.73Å; T1109-Q1113 HydrophobicContact CG2-CG 4.42Å; T1109-Q1113 WeakPolarHBondContact O-CB 3.15Å; T1109-Q1113 VanDerWaalsContact O-CG 3.27Å; T1109-Q1113 WeakPolarHBondContact O-CG 3.4Å; T1109-Q1113 PolarHBondContact O-N 2.66Å
1110	M	65.2	Low	64.9	Low	7 Å²	7	71.9 Å²	71.9	3%	0.034	34%	0.342	C	S	.	.	H	α-helix	trans	-67.6	-42.6	176.8	-73.4	-71.4	-77	0	0	111.6	W1073 A1076 E1077 H1106 M1107 F1112 Q1113 Y1114 I1121	W1073-M1110 HydrophobicContact CB-CE 4.13Å; A1076-M1110 HydrophobicContact CB-CE 4.02Å; E1077-M1110 HydrophobicContact CB-CE 3.99Å; H1106-M1110 WeakPolarHBondContact NE2-CG 3.31Å; H1106-M1110 WeakPolarHBondContact O-CB 3.26Å; H1106-M1110 VanDerWaalsContact O-CG 3.31Å; H1106-M1110 WeakPolarHBondContact O-CG 3.29Å; H1106-M1110 PolarHBondContact O-N 2.86Å; M1107-M1110 PolarHBondContact O-N 2.75Å; M1110-F1112 VanDerWaalsContact C-N 3.29Å; M1110-F1112 PolarHBondContact O-N 3.31Å; M1110-Q1113 PolarHBondContact O-N 2.87Å; M1110-Y1114 HydrophobicContact CE-CD2 4.1Å; M1110-Y1114 HydrophobicContact CE-CE2 3.87Å; M1110-Y1114 WeakPolarHBondContact O-CD2 3.41Å; M1110-Y1114 PolarHBondContact O-N 2.64Å; M1110-Y1114 HydrophobicContact SD-CD2 4Å; M1110-Y1114 HydrophobicContact SD-CE2 3.64Å; M1110-I1121 HydrophobicContact CB-CD1 3.7Å
1111	A	63.7	Low	64.9	Low	11 Å²	11	71.5 Å²	71.5	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-58.8	-40.5	171.5	0	0	0	0	0	111.8	M1107 H1115 T1116 V1118 I1121	M1107-A1111 WeakPolarHBondContact O-CB 3.38Å; M1107-A1111 PolarHBondContact O-N 2.68Å; A1111-H1115 VanDerWaalsContact O-CA 3.29Å; A1111-H1115 WeakPolarHBondContact O-CA 3.4Å; A1111-H1115 PolarHBondContact O-N 3.43Å; A1111-T1116 WeakPolarHBondContact CA-OG1 3.28Å; A1111-T1116 VanDerWaalsContact CB-O 3.3Å; A1111-T1116 WeakPolarHBondContact CB-O 3.4Å; A1111-T1116 PolarHBondContact O-N 3.02Å; A1111-V1118 HydrophobicContact CB-CG2 3.83Å; A1111-I1121 HydrophobicContact CB-CD1 3.99Å
1112	F	43.7	Very low	65.1	Low	118 Å²	118	66.8 Å²	66.8	52%	0.518	32%	0.318	S	S	.	.	H	α-helix	trans	-76.8	-28.3	178	-172.6	-94.4	0	0	0	114	R1028 Q1108 T1109 M1110	R1028-F1112 HydrophobicContact CG-CZ 4.42Å; R1028-F1112 PolarHBondContact NH2-O 2.76Å; Q1108-F1112 VanDerWaalsContact O-CB 3.25Å; Q1108-F1112 WeakPolarHBondContact O-CB 3.46Å; Q1108-F1112 PolarHBondContact O-N 3.18Å; T1109-F1112 CarbonylContact O-C 3.5Å; T1109-F1112 PolarHBondContact O-N 2.73Å; M1110-F1112 VanDerWaalsContact C-N 3.29Å; M1110-F1112 PolarHBondContact O-N 3.31Å
1113	Q	59.9	Low	65.4	Low	73 Å²	73	65.5 Å²	65.5	34%	0.341	31%	0.312	S	S	.	.	H	α-helix	trans	-74.5	-48.8	173.6	-79.4	175.3	-5.8	0	0	111.1	E1024 T1109 M1110	E1024-Q1113 WeakPolarHBondContact CG-O 3.19Å; T1109-Q1113 HydrophobicContact CG2-CG 4.42Å; T1109-Q1113 WeakPolarHBondContact O-CB 3.15Å; T1109-Q1113 VanDerWaalsContact O-CG 3.27Å; T1109-Q1113 WeakPolarHBondContact O-CG 3.4Å; T1109-Q1113 PolarHBondContact O-N 2.66Å; M1110-Q1113 PolarHBondContact O-N 2.87Å
1114	Y	53.7	Low	66	Low	42 Å²	42	64.8 Å²	64.8	17%	0.165	31%	0.306	C	S	.	.	H	α-helix	trans	-111.3	17	-168.7	-60	-81.5	0	0	0	114.7	Y1017 S1072 W1073 M1110 T1116	Y1017-Y1114 HydrophobicContact CE2-CE1 4.43Å; S1072-Y1114 VanDerWaalsContact OG-CD1 3.26Å; S1072-Y1114 WeakPolarHBondContact OG-CD1 3.33Å; S1072-Y1114 WeakPolarHBondContact OG-CE1 3.24Å; W1073-Y1114 HydrophobicContact CB-CD1 4.12Å; W1073-Y1114 HydrophobicContact CB-CD2 3.55Å; W1073-Y1114 HydrophobicContact CB-CE2 4.2Å; W1073-Y1114 HydrophobicContact CB-CG 3.5Å; W1073-Y1114 HydrophobicContact CG-CG 4.5Å; M1110-Y1114 HydrophobicContact CE-CD2 4.1Å; M1110-Y1114 HydrophobicContact CE-CE2 3.87Å; M1110-Y1114 WeakPolarHBondContact O-CD2 3.41Å; M1110-Y1114 PolarHBondContact O-N 2.64Å; M1110-Y1114 HydrophobicContact SD-CD2 4Å; M1110-Y1114 HydrophobicContact SD-CE2 3.64Å; Y1114-T1116 PolarHBondContact O-N 3.23Å
1115	H	51.2	Low	66.1	Low	74 Å²	74	58.6 Å²	58.6	34%	0.343	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	40.2	173.3	-62.6	-42	0	0	0	115.7	L1027 A1111	L1027-H1115 WeakPolarHBondContact CD1-NE2 3.4Å; A1111-H1115 VanDerWaalsContact O-CA 3.29Å; A1111-H1115 WeakPolarHBondContact O-CA 3.4Å; A1111-H1115 PolarHBondContact O-N 3.43Å
1116	T	57.4	Low	66.7	Low	25 Å²	25	56.1 Å²	56.1	15%	0.153	27%	0.271	C	S	.	.			trans	-102.4	168.7	170.9	74.2	0	0	0	0	111	W1073 A1111 Y1114 I1121	W1073-T1116 VanDerWaalsContact CD1-CG2 3.5Å; W1073-T1116 HydrophobicContact CD2-CG2 4.07Å; W1073-T1116 HydrophobicContact CG-CG2 4.07Å; W1073-T1116 HydrophobicContact CZ2-CG2 4.01Å; A1111-T1116 WeakPolarHBondContact CA-OG1 3.28Å; A1111-T1116 VanDerWaalsContact CB-O 3.3Å; A1111-T1116 WeakPolarHBondContact CB-O 3.4Å; A1111-T1116 PolarHBondContact O-N 3.02Å; Y1114-T1116 PolarHBondContact O-N 3.23Å; T1116-I1121 VanDerWaalsContact OG1-CD1 3.3Å; T1116-I1121 WeakPolarHBondContact OG1-CD1 3.3Å; T1116-I1121 WeakPolarHBondContact OG1-CG1 3.5Å
1117	S	60.9	Low	66.9	Low	46 Å²	46	56.8 Å²	56.8	32%	0.322	28%	0.282	S	S	.	.			trans	-75.7	155.2	156.8	66.5	0	0	0	0	111.2	E1119 E1120 I1121	S1117-E1119 PolarHBondContact O-N 2.92Å; S1117-E1120 VanDerWaalsContact CB-OE2 3.29Å; S1117-E1120 WeakPolarHBondContact CB-OE2 3.44Å; S1117-E1120 PolarHBondContact N-OE2 2.95Å; S1117-E1120 PolarHBondContact O-N 3.47Å; S1117-E1120 WeakPolarHBondContact OG-CB 3.33Å; S1117-E1120 VanDerWaalsContact OG-CD 3.24Å; S1117-E1120 WeakPolarHBondContact OG-CG 3.42Å; S1117-E1120 PolarHBondContact OG-N 3.41Å; S1117-E1120 PolarHBondContact OG-OE2 3.38Å; S1117-I1121 PolarHBondContact O-N 2.84Å
1118	V	69.7	Low	66.9	Low	31 Å²	31	57.2 Å²	57.2	19%	0.188	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-33.2	167.9	178.3	0	0	0	0	110.1	M1107 Q1108 A1111 E1120 I1121 E1122	M1107-V1118 HydrophobicContact CB-CG1 4.11Å; Q1108-V1118 HydrophobicContact CB-CG2 4.46Å; Q1108-V1118 HydrophobicContact CG-CG2 3.8Å; A1111-V1118 HydrophobicContact CB-CG2 3.83Å; V1118-E1120 PolarHBondContact O-N 3.12Å; V1118-I1121 PolarHBondContact O-N 3.41Å; V1118-E1122 HydrophobicContact CG1-CG 4.22Å; V1118-E1122 WeakPolarHBondContact CG1-OE1 3.37Å; V1118-E1122 WeakPolarHBondContact O-CB 3.45Å; V1118-E1122 WeakPolarHBondContact O-CG 3.4Å; V1118-E1122 PolarHBondContact O-N 2.9Å
1119	E	70.3	Confident	67	Low	114 Å²	114	52.5 Å²	52.5	53%	0.533	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-35.3	175	-67.4	-172.1	-153.8	0	0	113.6	S1117 E1122 K1123	S1117-E1119 PolarHBondContact O-N 2.92Å; E1119-E1122 PolarHBondContact O-N 3.38Å; E1119-K1123 VanDerWaalsContact O-CB 3.24Å; E1119-K1123 WeakPolarHBondContact O-CB 3.4Å; E1119-K1123 VanDerWaalsContact O-CD 3.27Å; E1119-K1123 WeakPolarHBondContact O-CD 3.3Å; E1119-K1123 WeakPolarHBondContact O-CG 3.42Å; E1119-K1123 PolarHBondContact O-N 2.86Å; E1119-K1123 IonicContact OE2-NZ 2.72Å; E1119-K1123 PolarHBondContact OE2-NZ 2.77Å
1120	E	68.6	Low	66.9	Low	103 Å²	103	54.1 Å²	54.1	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-71.9	-35.6	175.8	-76	157.4	131.1	0	0	111.7	S1117 V1118 W1124	S1117-E1120 VanDerWaalsContact CB-OE2 3.29Å; S1117-E1120 WeakPolarHBondContact CB-OE2 3.44Å; S1117-E1120 PolarHBondContact N-OE2 2.95Å; S1117-E1120 PolarHBondContact O-N 3.47Å; S1117-E1120 WeakPolarHBondContact OG-CB 3.33Å; S1117-E1120 VanDerWaalsContact OG-CD 3.24Å; S1117-E1120 WeakPolarHBondContact OG-CG 3.42Å; S1117-E1120 PolarHBondContact OG-N 3.41Å; S1117-E1120 PolarHBondContact OG-OE2 3.38Å; V1118-E1120 PolarHBondContact O-N 3.12Å; E1120-W1124 WeakPolarHBondContact O-CB 3.32Å; E1120-W1124 PolarHBondContact O-N 2.97Å
1121	I	69.3	Low	67.3	Low	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-45.9	170.3	-64.4	172.6	0	0	0	109.6	W1073 M1107 M1110 A1111 T1116 S1117 V1118 K1123 W1124 L1125	W1073-I1121 HydrophobicContact CE3-CG1 4.1Å; W1073-I1121 HydrophobicContact CH2-CG1 4.26Å; W1073-I1121 HydrophobicContact CZ3-CB 4.4Å; W1073-I1121 HydrophobicContact CZ3-CG1 3.87Å; M1107-I1121 HydrophobicContact CB-CG2 4.18Å; M1107-I1121 HydrophobicContact CG-CG2 3.89Å; M1107-I1121 WeakPolarHBondContact O-CD1 3.47Å; M1107-I1121 HydrophobicContact SD-CG2 3.93Å; M1110-I1121 HydrophobicContact CB-CD1 3.7Å; A1111-I1121 HydrophobicContact CB-CD1 3.99Å; T1116-I1121 VanDerWaalsContact OG1-CD1 3.3Å; T1116-I1121 WeakPolarHBondContact OG1-CD1 3.3Å; T1116-I1121 WeakPolarHBondContact OG1-CG1 3.5Å; S1117-I1121 PolarHBondContact O-N 2.84Å; V1118-I1121 PolarHBondContact O-N 3.41Å; I1121-K1123 PolarHBondContact O-N 3.39Å; I1121-W1124 PolarHBondContact O-N 3.27Å; I1121-L1125 HydrophobicContact CG2-CD1 3.78Å; I1121-L1125 HydrophobicContact CG2-CG 4.15Å; I1121-L1125 VanDerWaalsContact O-CB 3.24Å; I1121-L1125 WeakPolarHBondContact O-CB 3.19Å; I1121-L1125 VanDerWaalsContact O-CG 3.24Å; I1121-L1125 WeakPolarHBondContact O-CG 3.28Å; I1121-L1125 PolarHBondContact O-N 3.41Å
1122	E	73.1	Confident	67.4	Low	50 Å²	50	57.5 Å²	57.5	23%	0.234	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-42	176.7	-74.2	172.6	-172.4	0	0	111.8	R1104 M1107 V1118 E1119 Q1126	R1104-E1122 IonicContact NE-OE1 3.39Å; M1107-E1122 HydrophobicContact CE-CG 3.81Å; M1107-E1122 HydrophobicContact SD-CG 3.86Å; V1118-E1122 HydrophobicContact CG1-CG 4.22Å; V1118-E1122 WeakPolarHBondContact CG1-OE1 3.37Å; V1118-E1122 WeakPolarHBondContact O-CB 3.45Å; V1118-E1122 WeakPolarHBondContact O-CG 3.4Å; V1118-E1122 PolarHBondContact O-N 2.9Å; E1119-E1122 PolarHBondContact O-N 3.38Å; E1122-Q1126 VanDerWaalsContact O-CB 3.28Å; E1122-Q1126 WeakPolarHBondContact O-CB 3.32Å; E1122-Q1126 WeakPolarHBondContact O-CG 3.38Å; E1122-Q1126 PolarHBondContact O-N 2.79Å
1123	K	76.7	Confident	68.5	Low	113 Å²	113	57.2 Å²	57.2	49%	0.491	27%	0.274	S	S	.	.	H	α-helix	trans	-68.9	-36.3	175.9	-72.1	159.9	-165.1	160.6	0	112.4	E1119 I1121 S1127	E1119-K1123 VanDerWaalsContact O-CB 3.24Å; E1119-K1123 WeakPolarHBondContact O-CB 3.4Å; E1119-K1123 VanDerWaalsContact O-CD 3.27Å; E1119-K1123 WeakPolarHBondContact O-CD 3.3Å; E1119-K1123 WeakPolarHBondContact O-CG 3.42Å; E1119-K1123 PolarHBondContact O-N 2.86Å; E1119-K1123 IonicContact OE2-NZ 2.72Å; E1119-K1123 PolarHBondContact OE2-NZ 2.77Å; I1121-K1123 PolarHBondContact O-N 3.39Å; K1123-S1127 PolarHBondContact O-N 2.97Å; K1123-S1127 PolarHBondContact O-OG 3.27Å; K1123-S1127 VanDerWaalsContact O-OG 3.11Å
1124	W	80.4	Confident	68.7	Low	37 Å²	37	61.3 Å²	61.3	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-73.5	-40	174.4	-178.2	88.5	0	0	0	111.9	W1073 Q1074 E1077 R1078 L1081 E1120 I1121 Q1126 S1127 E1128	W1073-W1124 HydrophobicContact CH2-CB 3.53Å; W1073-W1124 HydrophobicContact CH2-CD2 4.2Å; W1073-W1124 AromaticContact CH2-CG 3.72Å; W1073-W1124 HydrophobicContact CH2-CG 3.72Å; W1073-W1124 HydrophobicContact CZ3-CB 3.89Å; W1073-W1124 AromaticContact CZ3-CD2 3.83Å; W1073-W1124 HydrophobicContact CZ3-CD2 3.83Å; W1073-W1124 AromaticContact CZ3-CE3 3.84Å; W1073-W1124 HydrophobicContact CZ3-CE3 3.84Å; W1073-W1124 AromaticContact CZ3-CG 3.85Å; W1073-W1124 HydrophobicContact CZ3-CG 3.85Å; Q1074-W1124 HydrophobicContact CB-CZ2 3.98Å; Q1074-W1124 HydrophobicContact CG-CD2 4.12Å; Q1074-W1124 HydrophobicContact CG-CG 4.31Å; Q1074-W1124 HydrophobicContact CG-CZ2 4.07Å; E1077-W1124 HydrophobicContact CB-CH2 4.39Å; E1077-W1124 HydrophobicContact CB-CZ3 3.88Å; E1077-W1124 HydrophobicContact CG-CE3 4.49Å; E1077-W1124 HydrophobicContact CG-CZ3 3.78Å; R1078-W1124 HydrophobicContact CB-CH2 4.01Å; L1081-W1124 HydrophobicContact CD1-CH2 4.16Å; L1081-W1124 HydrophobicContact CD1-CZ3 3.95Å; E1120-W1124 WeakPolarHBondContact O-CB 3.32Å; E1120-W1124 PolarHBondContact O-N 2.97Å; I1121-W1124 PolarHBondContact O-N 3.27Å; W1124-Q1126 VanDerWaalsContact C-N 3.34Å; W1124-S1127 PolarHBondContact O-N 2.88Å; W1124-S1127 PolarHBondContact O-OG 3.1Å; W1124-E1128 HydrophobicContact CH2-CB 4.42Å; W1124-E1128 HydrophobicContact CH2-CG 4.2Å; W1124-E1128 HydrophobicContact CZ2-CB 4.45Å; W1124-E1128 HydrophobicContact CZ2-CG 4.42Å; W1124-E1128 HydrophobicContact CZ3-CB 4.44Å; W1124-E1128 VanDerWaalsContact O-CB 3.23Å; W1124-E1128 WeakPolarHBondContact O-CB 3.33Å; W1124-E1128 PolarHBondContact O-N 2.83Å
1125	L	74.6	Confident	69	Low	6 Å²	6	63.4 Å²	63.4	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-41.2	171	-75.9	174.7	0	0	0	110.8	E1077 L1081 L1100 M1107 I1121 E1128 I1129	E1077-L1125 HydrophobicContact CG-CD2 3.81Å; L1081-L1125 HydrophobicContact CD1-CD2 3.83Å; L1081-L1125 HydrophobicContact CD2-CD2 4.04Å; L1081-L1125 HydrophobicContact CG-CD2 4.14Å; L1100-L1125 HydrophobicContact CD1-CD1 4.43Å; L1100-L1125 HydrophobicContact CD1-CD2 4.21Å; L1100-L1125 HydrophobicContact CD2-CD1 4.25Å; L1100-L1125 HydrophobicContact CD2-CD2 4.37Å; M1107-L1125 HydrophobicContact CG-CD1 4.27Å; M1107-L1125 HydrophobicContact SD-CD1 3.44Å; M1107-L1125 WeakPolarHBondContact SD-CD1 3.31Å; I1121-L1125 HydrophobicContact CG2-CD1 3.78Å; I1121-L1125 HydrophobicContact CG2-CG 4.15Å; I1121-L1125 VanDerWaalsContact O-CB 3.24Å; I1121-L1125 WeakPolarHBondContact O-CB 3.19Å; I1121-L1125 VanDerWaalsContact O-CG 3.24Å; I1121-L1125 WeakPolarHBondContact O-CG 3.28Å; I1121-L1125 PolarHBondContact O-N 3.41Å; L1125-E1128 PolarHBondContact O-N 3.1Å; L1125-I1129 WeakPolarHBondContact O-CB 3.4Å; L1125-I1129 VanDerWaalsContact O-CD1 3.29Å; L1125-I1129 WeakPolarHBondContact O-CD1 3.23Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.28Å; L1125-I1129 PolarHBondContact O-N 2.74Å
1126	Q	77.3	Confident	69.1	Low	104 Å²	104	61 Å²	61	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-47.3	174.3	-75.8	164.9	28.1	0	0	111.4	E1122 W1124 I1129 E1130	E1122-Q1126 VanDerWaalsContact O-CB 3.28Å; E1122-Q1126 WeakPolarHBondContact O-CB 3.32Å; E1122-Q1126 WeakPolarHBondContact O-CG 3.38Å; E1122-Q1126 PolarHBondContact O-N 2.79Å; W1124-Q1126 VanDerWaalsContact C-N 3.34Å; Q1126-I1129 PolarHBondContact O-N 2.73Å; Q1126-E1130 WeakPolarHBondContact O-CB 3.45Å; Q1126-E1130 WeakPolarHBondContact O-CG 3.3Å; Q1126-E1130 PolarHBondContact O-N 2.73Å
1127	S	77.1	Confident	69.1	Low	66 Å²	66	64.8 Å²	64.8	46%	0.462	31%	0.314	S	S	.	.	H	α-helix	trans	-71.5	-31.2	178.6	63	0	0	0	0	113.5	K1123 W1124 E1130 R1131	K1123-S1127 PolarHBondContact O-N 2.97Å; K1123-S1127 PolarHBondContact O-OG 3.27Å; K1123-S1127 VanDerWaalsContact O-OG 3.11Å; W1124-S1127 PolarHBondContact O-N 2.88Å; W1124-S1127 PolarHBondContact O-OG 3.1Å; S1127-E1130 PolarHBondContact O-N 3.28Å; S1127-R1131 VanDerWaalsContact O-CB 3.24Å; S1127-R1131 WeakPolarHBondContact O-CB 3.34Å; S1127-R1131 PolarHBondContact O-N 2.71Å
1128	E	71.9	Confident	68.6	Low	14 Å²	14	63 Å²	63	7%	0.065	30%	0.301	C	S	.	.	H	α-helix	trans	-72.9	-37.3	171.5	-178.5	60.3	-153.7	0	0	111.4	L1081 W1124 L1125 R1131 L1132	L1081-E1128 HydrophobicContact CD1-CB 4.43Å; L1081-E1128 HydrophobicContact CD1-CG 3.63Å; W1124-E1128 HydrophobicContact CH2-CB 4.42Å; W1124-E1128 HydrophobicContact CH2-CG 4.2Å; W1124-E1128 HydrophobicContact CZ2-CB 4.45Å; W1124-E1128 HydrophobicContact CZ2-CG 4.42Å; W1124-E1128 HydrophobicContact CZ3-CB 4.44Å; W1124-E1128 VanDerWaalsContact O-CB 3.23Å; W1124-E1128 WeakPolarHBondContact O-CB 3.33Å; W1124-E1128 PolarHBondContact O-N 2.83Å; L1125-E1128 PolarHBondContact O-N 3.1Å; E1128-R1131 CarbonylContact O-C 3.55Å; E1128-R1131 PolarHBondContact O-N 3.23Å; E1128-R1131 IonicContact OE1-CZ 3.7Å; E1128-R1131 IonicContact OE1-NE 2.74Å; E1128-R1131 PolarHBondContact OE1-NE 2.77Å; E1128-R1131 IonicContact OE1-NH2 2.61Å; E1128-R1131 PolarHBondContact OE1-NH2 2.67Å; E1128-R1131 IonicContact OE2-CZ 2.71Å; E1128-R1131 IonicContact OE2-NE 3.91Å; E1128-R1131 PolarHBondContact OE2-NE 2.94Å; E1128-R1131 IonicContact OE2-NH2 3.45Å; E1128-R1131 PolarHBondContact OE2-NH2 3.16Å; E1128-L1132 HydrophobicContact CG-CD1 4.07Å; E1128-L1132 HydrophobicContact CG-CG 4.37Å; E1128-L1132 VanDerWaalsContact O-CB 3.26Å; E1128-L1132 WeakPolarHBondContact O-CB 3.39Å; E1128-L1132 WeakPolarHBondContact O-CG 3.48Å; E1128-L1132 PolarHBondContact O-N 3.29Å; E1128-L1132 WeakPolarHBondContact OE1-CG 3.25Å
1129	I	70.1	Confident	67.5	Low	6 Å²	6	66.5 Å²	66.5	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-42.9	170.7	-72.8	163.7	0	0	0	110.2	L1096 R1097 L1100 L1125 Q1126 L1132 K1133 L1138	L1096-I1129 HydrophobicContact CD2-CD1 3.63Å; L1096-I1129 HydrophobicContact CD2-CG1 3.56Å; R1097-I1129 HydrophobicContact CG-CD1 4.03Å; L1100-I1129 HydrophobicContact CD1-CD1 3.8Å; L1125-I1129 WeakPolarHBondContact O-CB 3.4Å; L1125-I1129 VanDerWaalsContact O-CD1 3.29Å; L1125-I1129 WeakPolarHBondContact O-CD1 3.23Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.28Å; L1125-I1129 PolarHBondContact O-N 2.74Å; Q1126-I1129 PolarHBondContact O-N 2.73Å; I1129-L1132 PolarHBondContact O-N 3.31Å; I1129-K1133 WeakPolarHBondContact O-CB 3.42Å; I1129-K1133 PolarHBondContact O-N 3.38Å; I1129-L1138 HydrophobicContact CB-CD1 4.41Å; I1129-L1138 HydrophobicContact CG1-CD1 4.35Å; I1129-L1138 HydrophobicContact CG2-CD1 4.09Å
1130	E	71.1	Confident	65.9	Low	97 Å²	97	64 Å²	64	45%	0.453	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-39	174.8	-73.6	-169.7	169.4	0	0	111.9	Q1126 S1127 K1133 Q1134	Q1126-E1130 WeakPolarHBondContact O-CB 3.45Å; Q1126-E1130 WeakPolarHBondContact O-CG 3.3Å; Q1126-E1130 PolarHBondContact O-N 2.73Å; S1127-E1130 PolarHBondContact O-N 3.28Å; E1130-K1133 PolarHBondContact O-N 3.42Å; E1130-Q1134 WeakPolarHBondContact O-CB 3.48Å; E1130-Q1134 WeakPolarHBondContact O-CG 3.26Å; E1130-Q1134 PolarHBondContact O-N 3.28Å
1131	R	72.6	Confident	64.6	Low	80 Å²	80	65.8 Å²	65.8	30%	0.302	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-40.8	172.5	-166.8	-177.4	72.6	114.6	0.2	111.9	S1127 E1128 Q1134 Q1135	S1127-R1131 VanDerWaalsContact O-CB 3.24Å; S1127-R1131 WeakPolarHBondContact O-CB 3.34Å; S1127-R1131 PolarHBondContact O-N 2.71Å; E1128-R1131 CarbonylContact O-C 3.55Å; E1128-R1131 PolarHBondContact O-N 3.23Å; E1128-R1131 IonicContact OE1-CZ 3.7Å; E1128-R1131 IonicContact OE1-NE 2.74Å; E1128-R1131 PolarHBondContact OE1-NE 2.77Å; E1128-R1131 IonicContact OE1-NH2 2.61Å; E1128-R1131 PolarHBondContact OE1-NH2 2.67Å; E1128-R1131 IonicContact OE2-CZ 2.71Å; E1128-R1131 IonicContact OE2-NE 3.91Å; E1128-R1131 PolarHBondContact OE2-NE 2.94Å; E1128-R1131 IonicContact OE2-NH2 3.45Å; E1128-R1131 PolarHBondContact OE2-NH2 3.16Å; R1131-Q1134 PolarHBondContact O-N 2.95Å; R1131-Q1135 VanDerWaalsContact NH1-NE2 3.16Å; R1131-Q1135 VanDerWaalsContact O-CB 3.24Å; R1131-Q1135 WeakPolarHBondContact O-CB 3.11Å; R1131-Q1135 WeakPolarHBondContact O-CG 3.13Å; R1131-Q1135 PolarHBondContact O-N 2.6Å
1132	L	66	Low	63.4	Low	9 Å²	9	74.2 Å²	74.2	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-70.5	-31.1	175.8	-71.7	170.1	0	0	0	111.9	I1085 E1128 I1129 G1136 K1137 L1138	I1085-L1132 HydrophobicContact CD1-CD1 3.94Å; E1128-L1132 HydrophobicContact CG-CD1 4.07Å; E1128-L1132 HydrophobicContact CG-CG 4.37Å; E1128-L1132 VanDerWaalsContact O-CB 3.26Å; E1128-L1132 WeakPolarHBondContact O-CB 3.39Å; E1128-L1132 WeakPolarHBondContact O-CG 3.48Å; E1128-L1132 PolarHBondContact O-N 3.29Å; E1128-L1132 WeakPolarHBondContact OE1-CG 3.25Å; I1129-L1132 PolarHBondContact O-N 3.31Å; L1132-G1136 PolarHBondContact O-N 2.85Å; L1132-K1137 HydrophobicContact CB-CB 4.38Å; L1132-K1137 HydrophobicContact CD2-CB 3.99Å; L1132-K1137 HydrophobicContact CD2-CD 3.53Å; L1132-K1137 HydrophobicContact CD2-CG 4.41Å; L1132-K1137 WeakPolarHBondContact O-CA 3.31Å; L1132-K1137 WeakPolarHBondContact O-CB 3.43Å; L1132-K1137 PolarHBondContact O-N 3.32Å; L1132-L1138 HydrophobicContact CB-CB 4.41Å; L1132-L1138 HydrophobicContact CB-CD1 3.67Å; L1132-L1138 HydrophobicContact CB-CG 3.83Å; L1132-L1138 HydrophobicContact CD1-CD1 4.02Å; L1132-L1138 HydrophobicContact CD1-CG 4.48Å; L1132-L1138 PolarHBondContact O-N 3.11Å
1133	K	66	Low	62.1	Low	111 Å²	111	74.7 Å²	74.7	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-70.8	-43	171.6	-175.9	179	177.8	-177.3	0	111.4	I1129 E1130 G1136	I1129-K1133 WeakPolarHBondContact O-CB 3.42Å; I1129-K1133 PolarHBondContact O-N 3.38Å; E1130-K1133 PolarHBondContact O-N 3.42Å; K1133-G1136 PolarHBondContact O-N 2.79Å; K1133-G1136 VanDerWaalsContact O-N 3.16Å
1134	Q	64.7	Low	60.9	Low	160 Å²	160	72.6 Å²	72.6	75%	0.748	36%	0.357	S	S	*	.	H	α-helix	trans	-65.7	-40.2	173.6	-72.2	171.6	16.9	0	0	112.1	E1130 R1131 G1136	E1130-Q1134 WeakPolarHBondContact O-CB 3.48Å; E1130-Q1134 WeakPolarHBondContact O-CG 3.26Å; E1130-Q1134 PolarHBondContact O-N 3.28Å; R1131-Q1134 PolarHBondContact O-N 2.95Å; Q1134-G1136 PolarHBondContact O-N 2.82Å; Q1134-G1136 VanDerWaalsContact O-N 3.16Å
1135	Q	59.3	Low	59.6	Low	85 Å²	85	74.5 Å²	74.5	40%	0.397	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	4.1	172.7	-72.4	178.4	13.7	0	0	113.5	R1131 K1137	R1131-Q1135 VanDerWaalsContact NH1-NE2 3.16Å; R1131-Q1135 VanDerWaalsContact O-CB 3.24Å; R1131-Q1135 WeakPolarHBondContact O-CB 3.11Å; R1131-Q1135 WeakPolarHBondContact O-CG 3.13Å; R1131-Q1135 PolarHBondContact O-N 2.6Å; Q1135-K1137 HydrophobicContact CB-CD 4.18Å; Q1135-K1137 HydrophobicContact CB-CG 4.31Å; Q1135-K1137 PolarHBondContact O-N 3.44Å; Q1135-K1137 VanDerWaalsContact O-N 3.11Å
1136	G	54.8	Low	59.1	Low	25 Å²	25	75.9 Å²	75.9	26%	0.258	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	12.2	-179.6	0	0	0	0	0	114.9	L1132 K1133 Q1134 I1140	L1132-G1136 PolarHBondContact O-N 2.85Å; K1133-G1136 PolarHBondContact O-N 2.79Å; K1133-G1136 VanDerWaalsContact O-N 3.16Å; Q1134-G1136 PolarHBondContact O-N 2.82Å; Q1134-G1136 VanDerWaalsContact O-N 3.16Å; G1136-I1140 WeakPolarHBondContact O-CG1 3.47Å
1137	K	57.3	Low	58.5	Low	104 Å²	104	72.8 Å²	72.8	45%	0.452	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-79.6	-35.8	180	-71.7	169.8	177.8	169.7	0	112.3	L1132 Q1135 I1140	L1132-K1137 HydrophobicContact CB-CB 4.38Å; L1132-K1137 HydrophobicContact CD2-CB 3.99Å; L1132-K1137 HydrophobicContact CD2-CD 3.53Å; L1132-K1137 HydrophobicContact CD2-CG 4.41Å; L1132-K1137 WeakPolarHBondContact O-CA 3.31Å; L1132-K1137 WeakPolarHBondContact O-CB 3.43Å; L1132-K1137 PolarHBondContact O-N 3.32Å; Q1135-K1137 HydrophobicContact CB-CD 4.18Å; Q1135-K1137 HydrophobicContact CB-CG 4.31Å; Q1135-K1137 PolarHBondContact O-N 3.44Å; Q1135-K1137 VanDerWaalsContact O-N 3.11Å; K1137-I1140 VanDerWaalsContact O-CD1 3.26Å; K1137-I1140 WeakPolarHBondContact O-CD1 3.33Å; K1137-I1140 WeakPolarHBondContact O-CG1 3.3Å
1138	L	49.5	Very low	57.7	Low	8 Å²	8	75.7 Å²	75.7	4%	0.042	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-100.9	57.2	172.3	-69.5	175.1	0	0	0	111.9	L1096 I1129 L1132	L1096-L1138 HydrophobicContact CD1-CD1 4.33Å; L1096-L1138 HydrophobicContact CD1-CD2 3.88Å; L1096-L1138 HydrophobicContact CD2-CD1 4.07Å; I1129-L1138 HydrophobicContact CB-CD1 4.41Å; I1129-L1138 HydrophobicContact CG1-CD1 4.35Å; I1129-L1138 HydrophobicContact CG2-CD1 4.09Å; L1132-L1138 HydrophobicContact CB-CB 4.41Å; L1132-L1138 HydrophobicContact CB-CD1 3.67Å; L1132-L1138 HydrophobicContact CB-CG 3.83Å; L1132-L1138 HydrophobicContact CD1-CD1 4.02Å; L1132-L1138 HydrophobicContact CD1-CG 4.48Å; L1132-L1138 PolarHBondContact O-N 3.11Å
1139	N	47.2	Very low	57.4	Low	105 Å²	105	78.6 Å²	78.6	56%	0.561	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-171.4	31.6	158.4	-105	-10.7	0	0	0	113	E1141 Q1142	N1139-E1141 PolarHBondContact O-N 2.67Å; N1139-E1141 VanDerWaalsContact O-N 3.14Å; N1139-Q1142 PolarHBondContact O-N 2.78Å
1140	I	35.7	Very low	57.2	Low	62 Å²	62	78.4 Å²	78.4	32%	0.318	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-69.4	-15.5	-167.5	-59.7	166.2	0	0	0	113.7	G1136 K1137 Q1142 L1143 R1148	G1136-I1140 WeakPolarHBondContact O-CG1 3.47Å; K1137-I1140 VanDerWaalsContact O-CD1 3.26Å; K1137-I1140 WeakPolarHBondContact O-CD1 3.33Å; K1137-I1140 WeakPolarHBondContact O-CG1 3.3Å; I1140-Q1142 PolarHBondContact O-N 3.46Å; I1140-Q1142 VanDerWaalsContact O-N 3.15Å; I1140-L1143 HydrophobicContact CG2-CB 4.26Å; I1140-L1143 PolarHBondContact O-N 3.46Å; I1140-R1148 VanDerWaalsContact CG2-CZ 3.4Å
1141	E	42.7	Very low	57	Low	139 Å²	139	78.3 Å²	78.3	65%	0.65	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-71.1	-3.4	178.9	-62.9	-152.4	147.7	0	0	114.8	Q1090 N1139	Q1090-E1141 WeakPolarHBondContact CG-OE1 3.34Å; Q1090-E1141 PolarHBondContact NE2-OE1 2.88Å; N1139-E1141 PolarHBondContact O-N 2.67Å; N1139-E1141 VanDerWaalsContact O-N 3.14Å
1142	Q	43.1	Very low	56.8	Low	177 Å²	177	81.2 Å²	81.2	83%	0.827	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-110.2	-4.2	164.2	-66.1	-168.9	1.4	0	0	114.4	N1139 I1140 T1144	N1139-Q1142 PolarHBondContact O-N 2.78Å; I1140-Q1142 PolarHBondContact O-N 3.46Å; I1140-Q1142 VanDerWaalsContact O-N 3.15Å; Q1142-T1144 PolarHBondContact O-N 2.94Å
1143	L	44.9	Very low	56.9	Low	61 Å²	61	85.5 Å²	85.5	32%	0.319	42%	0.421	S	S	.	.	S	Bend	trans	-76.5	81	168.5	-92.9	164.1	0	0	0	109.6	I1140 Q1147 R1148	I1140-L1143 HydrophobicContact CG2-CB 4.26Å; I1140-L1143 PolarHBondContact O-N 3.46Å; L1143-Q1147 HydrophobicContact CD2-CB 4.27Å; L1143-R1148 PolarHBondContact O-NH1 3.38Å; L1143-R1148 VanDerWaalsContact O-NH1 3.15Å
1144	T	53.5	Low	56.9	Low	69 Å²	69	80.2 Å²	80.2	42%	0.423	40%	0.398	S	S	.	.			trans	-46.3	144.8	179.4	52.6	0	0	0	0	112.1	Q1142 W1146 Q1147	Q1142-T1144 PolarHBondContact O-N 2.94Å; T1144-W1146 PolarHBondContact O-N 2.9Å; T1144-Q1147 PolarHBondContact O-N 3.37Å; T1144-Q1147 WeakPolarHBondContact OG1-CG 3.41Å; T1144-Q1147 PolarHBondContact OG1-OE1 3.35Å
1145	A	53.1	Low	56.9	Low	77 Å²	77	76.5 Å²	76.5	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-54.7	-31.9	-177	0	0	0	0	0	112.8	R1148 T1149	A1145-R1148 PolarHBondContact O-N 2.83Å; A1145-T1149 PolarHBondContact O-N 3.28Å; A1145-T1149 VanDerWaalsContact O-N 3.08Å; A1145-T1149 PolarHBondContact O-OG1 2.81Å
1146	W	63.3	Low	57.4	Low	35 Å²	35	74.6 Å²	74.6	13%	0.133	38%	0.379	C	S	.	.	H	α-helix	trans	-60.2	-46.2	177.2	105.3	-106	0	0	0	112.5	T1144 R1148 T1149 E1150 L1183 H1187 V1189 V1194 Y1197	T1144-W1146 PolarHBondContact O-N 2.9Å; W1146-R1148 PolarHBondContact O-N 2.8Å; W1146-T1149 WeakPolarHBondContact CA-OG1 3.5Å; W1146-T1149 PolarHBondContact O-N 3.41Å; W1146-T1149 PolarHBondContact O-OG1 3.28Å; W1146-E1150 HydrophobicContact CE3-CB 3.86Å; W1146-E1150 HydrophobicContact CE3-CG 4.37Å; W1146-E1150 HydrophobicContact CZ3-CB 3.82Å; W1146-E1150 HydrophobicContact CZ3-CG 3.91Å; W1146-E1150 WeakPolarHBondContact O-CB 3.3Å; W1146-E1150 PolarHBondContact O-N 2.85Å; W1146-L1183 HydrophobicContact CZ3-CD2 4.21Å; W1146-H1187 HydrophobicContact CB-CB 4.13Å; W1146-H1187 HydrophobicContact CD2-CB 3.75Å; W1146-H1187 AromaticContact CD2-CG 3.8Å; W1146-H1187 HydrophobicContact CE3-CB 3.74Å; W1146-H1187 AromaticContact CE3-CD2 3.14Å; W1146-H1187 AromaticContact CE3-CE1 3.94Å; W1146-H1187 AromaticContact CE3-CG 3.34Å; W1146-H1187 AromaticContact CE3-ND1 3.87Å; W1146-H1187 AromaticContact CE3-NE2 3.54Å; W1146-H1187 HydrophobicContact CG-CB 3.96Å; W1146-H1187 HydrophobicContact CZ3-CB 4.31Å; W1146-H1187 AromaticContact CZ3-CD2 3.4Å; W1146-H1187 WeakPolarHBondContact CZ3-CD2 3.23Å; W1146-H1187 AromaticContact CZ3-CG 3.98Å; W1146-H1187 AromaticContact CZ3-NE2 3.95Å; W1146-V1189 HydrophobicContact CZ2-CB 4.33Å; W1146-V1189 HydrophobicContact CZ2-CG1 4.02Å; W1146-V1189 HydrophobicContact CZ2-CG2 4.09Å; W1146-V1194 HydrophobicContact CH2-CG2 4.1Å; W1146-V1194 HydrophobicContact CZ2-CG2 4.45Å; W1146-Y1197 HydrophobicContact CH2-CD1 4.23Å; W1146-Y1197 HydrophobicContact CZ2-CD1 4.48Å
1147	Q	64.7	Low	57.8	Low	39 Å²	39	75.6 Å²	75.6	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-61.6	-43	178.8	-71.8	168.6	-51.9	0	0	111.5	L1143 T1144 E1150 Q1151 Y1197	L1143-Q1147 HydrophobicContact CD2-CB 4.27Å; T1144-Q1147 PolarHBondContact O-N 3.37Å; T1144-Q1147 WeakPolarHBondContact OG1-CG 3.41Å; T1144-Q1147 PolarHBondContact OG1-OE1 3.35Å; Q1147-E1150 PolarHBondContact O-N 3.26Å; Q1147-Q1151 VanDerWaalsContact O-CB 3.31Å; Q1147-Q1151 WeakPolarHBondContact O-CB 3.27Å; Q1147-Q1151 PolarHBondContact O-N 3.49Å; Q1147-Y1197 HydrophobicContact CB-CE1 4.36Å; Q1147-Y1197 HydrophobicContact CB-CE2 4.23Å; Q1147-Y1197 HydrophobicContact CG-CD2 4.38Å; Q1147-Y1197 HydrophobicContact CG-CE1 4.25Å; Q1147-Y1197 HydrophobicContact CG-CE2 4.01Å; Q1147-Y1197 PolarHBondContact O-OH 2.98Å
1148	R	60.8	Low	58	Low	126 Å²	126	72.5 Å²	72.5	48%	0.475	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-47.1	174.5	-76.8	175.5	161.8	125.1	-30.7	112.4	I1140 L1143 A1145 W1146 E1150 Q1152	I1140-R1148 VanDerWaalsContact CG2-CZ 3.4Å; L1143-R1148 PolarHBondContact O-NH1 3.38Å; L1143-R1148 VanDerWaalsContact O-NH1 3.15Å; A1145-R1148 PolarHBondContact O-N 2.83Å; W1146-R1148 PolarHBondContact O-N 2.8Å; R1148-E1150 VanDerWaalsContact C-N 3.33Å; R1148-E1150 PolarHBondContact O-N 3.09Å; R1148-Q1152 PolarHBondContact O-N 2.75Å
1149	T	66	Low	58.4	Low	75 Å²	75	79.9 Å²	79.9	46%	0.46	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-37.5	178.2	45.3	0	0	0	0	112.1	A1145 W1146 R1153	A1145-T1149 PolarHBondContact O-N 3.28Å; A1145-T1149 VanDerWaalsContact O-N 3.08Å; A1145-T1149 PolarHBondContact O-OG1 2.81Å; W1146-T1149 WeakPolarHBondContact CA-OG1 3.5Å; W1146-T1149 PolarHBondContact O-N 3.41Å; W1146-T1149 PolarHBondContact O-OG1 3.28Å; T1149-R1153 WeakPolarHBondContact O-CB 3.15Å; T1149-R1153 PolarHBondContact O-N 3.28Å
1150	E	65.8	Low	59.1	Low	3 Å²	3	81.8 Å²	81.8	1%	0.014	41%	0.407	C	S	.	.	H	α-helix	trans	-79.4	-31	-178.1	-152.9	66.4	-137.7	0	0	112.5	W1146 Q1147 R1148 Q1152 R1153 I1154 L1183 H1187	W1146-E1150 HydrophobicContact CE3-CB 3.86Å; W1146-E1150 HydrophobicContact CE3-CG 4.37Å; W1146-E1150 HydrophobicContact CZ3-CB 3.82Å; W1146-E1150 HydrophobicContact CZ3-CG 3.91Å; W1146-E1150 WeakPolarHBondContact O-CB 3.3Å; W1146-E1150 PolarHBondContact O-N 2.85Å; Q1147-E1150 PolarHBondContact O-N 3.26Å; R1148-E1150 VanDerWaalsContact C-N 3.33Å; R1148-E1150 PolarHBondContact O-N 3.09Å; E1150-Q1152 VanDerWaalsContact C-N 3.34Å; E1150-Q1152 PolarHBondContact O-N 2.88Å; E1150-R1153 VanDerWaalsContact CD-NH1 3.29Å; E1150-R1153 CarbonylContact O-C 3.6Å; E1150-R1153 WeakPolarHBondContact O-CA 3Å; E1150-R1153 WeakPolarHBondContact O-CB 3.34Å; E1150-R1153 PolarHBondContact O-N 2.82Å; E1150-R1153 VanDerWaalsContact O-N 3.11Å; E1150-R1153 WeakPolarHBondContact OE1-CD 3.36Å; E1150-R1153 WeakPolarHBondContact OE1-CG 3.25Å; E1150-R1153 IonicContact OE1-CZ 3.82Å; E1150-R1153 IonicContact OE1-NE 3.14Å; E1150-R1153 IonicContact OE1-NH1 3.59Å; E1150-R1153 PolarHBondContact OE1-NH1 2.87Å; E1150-R1153 IonicContact OE2-CZ 2.81Å; E1150-R1153 IonicContact OE2-NH1 3.51Å; E1150-R1153 PolarHBondContact OE2-NH1 3.21Å; E1150-I1154 HydrophobicContact CG-CD1 4.42Å; E1150-I1154 WeakPolarHBondContact O-CB 3.43Å; E1150-I1154 VanDerWaalsContact O-CG1 3.3Å; E1150-I1154 WeakPolarHBondContact O-CG1 3.35Å; E1150-I1154 PolarHBondContact O-N 2.77Å; E1150-L1183 HydrophobicContact CG-CD2 3.58Å; E1150-L1183 WeakPolarHBondContact OE1-CD2 3.27Å; E1150-H1187 IonicContact OE2-CD2 2.69Å; E1150-H1187 IonicContact OE2-CE1 3.63Å; E1150-H1187 IonicContact OE2-NE2 2.63Å; E1150-H1187 PolarHBondContact OE2-NE2 3.14Å
1151	Q	66.2	Low	60.1	Low	95 Å²	95	82.6 Å²	82.6	44%	0.444	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-43.2	169.6	-166.3	178.9	22.9	0	0	111.1	Q1147 R1153 I1154 L1155	Q1147-Q1151 VanDerWaalsContact O-CB 3.31Å; Q1147-Q1151 WeakPolarHBondContact O-CB 3.27Å; Q1147-Q1151 PolarHBondContact O-N 3.49Å; Q1151-R1153 VanDerWaalsContact C-N 3.3Å; Q1151-R1153 PolarHBondContact O-N 2.69Å; Q1151-I1154 PolarHBondContact O-N 3.34Å; Q1151-L1155 HydrophobicContact CG-CD1 4.47Å; Q1151-L1155 WeakPolarHBondContact O-CB 3.2Å; Q1151-L1155 WeakPolarHBondContact O-CG 3.32Å; Q1151-L1155 PolarHBondContact O-N 3.3Å
1152	Q	69.2	Low	60.2	Low	140 Å²	140	81 Å²	81	65%	0.654	41%	0.413	S	S	*	.	H	α-helix	trans	-64.7	-33.7	171.7	-71.8	-175.7	-18.5	0	0	112.4	R1148 E1150 S1156	R1148-Q1152 PolarHBondContact O-N 2.75Å; E1150-Q1152 VanDerWaalsContact C-N 3.34Å; E1150-Q1152 PolarHBondContact O-N 2.88Å; Q1152-S1156 WeakPolarHBondContact O-CB 3.28Å; Q1152-S1156 PolarHBondContact O-N 3.47Å; Q1152-S1156 PolarHBondContact O-OG 2.81Å
1153	R	68.1	Low	60.7	Low	99 Å²	99	79.1 Å²	79.1	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-71.8	-38.5	176.9	-167.8	156.9	166.3	-137.9	14.2	112.6	T1149 E1150 Q1151 S1156 L1157	T1149-R1153 WeakPolarHBondContact O-CB 3.15Å; T1149-R1153 PolarHBondContact O-N 3.28Å; E1150-R1153 VanDerWaalsContact CD-NH1 3.29Å; E1150-R1153 CarbonylContact O-C 3.6Å; E1150-R1153 WeakPolarHBondContact O-CA 3Å; E1150-R1153 WeakPolarHBondContact O-CB 3.34Å; E1150-R1153 PolarHBondContact O-N 2.82Å; E1150-R1153 VanDerWaalsContact O-N 3.11Å; E1150-R1153 WeakPolarHBondContact OE1-CD 3.36Å; E1150-R1153 WeakPolarHBondContact OE1-CG 3.25Å; E1150-R1153 IonicContact OE1-CZ 3.82Å; E1150-R1153 IonicContact OE1-NE 3.14Å; E1150-R1153 IonicContact OE1-NH1 3.59Å; E1150-R1153 PolarHBondContact OE1-NH1 2.87Å; E1150-R1153 IonicContact OE2-CZ 2.81Å; E1150-R1153 IonicContact OE2-NH1 3.51Å; E1150-R1153 PolarHBondContact OE2-NH1 3.21Å; Q1151-R1153 VanDerWaalsContact C-N 3.3Å; Q1151-R1153 PolarHBondContact O-N 2.69Å; R1153-S1156 WeakPolarHBondContact CA-OG 3.4Å; R1153-S1156 PolarHBondContact O-OG 3.38Å; R1153-L1157 HydrophobicContact CG-CD1 4.3Å; R1153-L1157 VanDerWaalsContact O-CB 3.27Å; R1153-L1157 WeakPolarHBondContact O-CB 3.35Å; R1153-L1157 WeakPolarHBondContact O-CD1 3.23Å; R1153-L1157 WeakPolarHBondContact O-CG 3.48Å; R1153-L1157 PolarHBondContact O-N 2.76Å
1154	I	64.8	Low	61.6	Low	0 Å²	0	78.5 Å²	78.5	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-67.7	-45.9	174	-68.5	164.2	0	0	0	110.2	E1150 Q1151 S1156 L1157 L1158 F1169 V1198 V1201	E1150-I1154 HydrophobicContact CG-CD1 4.42Å; E1150-I1154 WeakPolarHBondContact O-CB 3.43Å; E1150-I1154 VanDerWaalsContact O-CG1 3.3Å; E1150-I1154 WeakPolarHBondContact O-CG1 3.35Å; E1150-I1154 PolarHBondContact O-N 2.77Å; Q1151-I1154 PolarHBondContact O-N 3.34Å; I1154-S1156 PolarHBondContact O-N 3.33Å; I1154-L1157 PolarHBondContact O-N 3.43Å; I1154-L1158 HydrophobicContact CG2-CD1 4.1Å; I1154-L1158 WeakPolarHBondContact O-CG 3.27Å; I1154-L1158 PolarHBondContact O-N 3.05Å; I1154-F1169 HydrophobicContact CG2-CE1 4.31Å; I1154-F1169 HydrophobicContact CG2-CZ 4.04Å; I1154-V1198 HydrophobicContact CD1-CG2 4.48Å; I1154-V1201 HydrophobicContact CD1-CG1 4.24Å; I1154-V1201 HydrophobicContact CG2-CG1 4.02Å
1155	L	64.7	Low	62.1	Low	83 Å²	83	78.3 Å²	78.3	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-61	-42.8	175.2	-73.8	168.7	0	0	0	112.3	Q1151 L1158 Q1159	Q1151-L1155 HydrophobicContact CG-CD1 4.47Å; Q1151-L1155 WeakPolarHBondContact O-CB 3.2Å; Q1151-L1155 WeakPolarHBondContact O-CG 3.32Å; Q1151-L1155 PolarHBondContact O-N 3.3Å; L1155-L1158 PolarHBondContact O-N 3.29Å; L1155-Q1159 WeakPolarHBondContact O-CG 3.5Å; L1155-Q1159 PolarHBondContact O-N 3.07Å
1156	S	70	Confident	62.6	Low	44 Å²	44	77.3 Å²	77.3	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-73.2	-28.8	176.6	53.4	0	0	0	0	113.5	Q1152 R1153 I1154 Q1159 Q1160	Q1152-S1156 WeakPolarHBondContact O-CB 3.28Å; Q1152-S1156 PolarHBondContact O-N 3.47Å; Q1152-S1156 PolarHBondContact O-OG 2.81Å; R1153-S1156 WeakPolarHBondContact CA-OG 3.4Å; R1153-S1156 PolarHBondContact O-OG 3.38Å; I1154-S1156 PolarHBondContact O-N 3.33Å; S1156-Q1159 PolarHBondContact O-N 3.46Å; S1156-Q1160 VanDerWaalsContact O-CB 3.26Å; S1156-Q1160 WeakPolarHBondContact O-CB 3.39Å; S1156-Q1160 WeakPolarHBondContact O-CG 3.28Å; S1156-Q1160 PolarHBondContact O-N 3.11Å
1157	L	63.3	Low	62.9	Low	47 Å²	47	82.5 Å²	82.5	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-67.5	-37.3	169.2	-79	167.3	0	0	0	112.2	R1153 I1154 H1161	R1153-L1157 HydrophobicContact CG-CD1 4.3Å; R1153-L1157 VanDerWaalsContact O-CB 3.27Å; R1153-L1157 WeakPolarHBondContact O-CB 3.35Å; R1153-L1157 WeakPolarHBondContact O-CD1 3.23Å; R1153-L1157 WeakPolarHBondContact O-CG 3.48Å; R1153-L1157 PolarHBondContact O-N 2.76Å; I1154-L1157 PolarHBondContact O-N 3.43Å; L1157-H1161 WeakPolarHBondContact O-CB 3.36Å; L1157-H1161 PolarHBondContact O-N 2.84Å
1158	L	60.6	Low	63	Low	39 Å²	39	85.5 Å²	85.5	20%	0.204	43%	0.428	C	S	.	.	H	α-helix	trans	-67	-44	172.6	-71.9	164	0	0	0	111	I1154 L1155 H1161 F1169 L1205	I1154-L1158 HydrophobicContact CG2-CD1 4.1Å; I1154-L1158 WeakPolarHBondContact O-CG 3.27Å; I1154-L1158 PolarHBondContact O-N 3.05Å; L1155-L1158 PolarHBondContact O-N 3.29Å; L1158-H1161 CarbonylContact O-C 3.53Å; L1158-H1161 PolarHBondContact O-N 3.34Å; L1158-F1169 HydrophobicContact CD2-CB 4.25Å; L1158-F1169 HydrophobicContact CD2-CD2 4.08Å; L1158-F1169 HydrophobicContact CD2-CG 4.06Å; L1158-L1205 HydrophobicContact CD1-CD1 3.8Å
1159	Q	59.4	Low	63.4	Low	162 Å²	162	80.4 Å²	80.4	76%	0.757	41%	0.409	S	S	*	.	H	α-helix	trans	-66.2	-37.5	175.7	-73.5	179.1	-22.8	0	0	113.6	L1155 S1156 H1161	L1155-Q1159 WeakPolarHBondContact O-CG 3.5Å; L1155-Q1159 PolarHBondContact O-N 3.07Å; S1156-Q1159 PolarHBondContact O-N 3.46Å; Q1159-H1161 PolarHBondContact O-N 2.78Å
1160	Q	60.6	Low	63.7	Low	145 Å²	145	80.3 Å²	80.3	68%	0.678	40%	0.403	S	S	*	.	H	α-helix	trans	-73.7	-11.8	176.3	-75.3	179.9	8.7	0	0	113.6	S1156	S1156-Q1160 VanDerWaalsContact O-CB 3.26Å; S1156-Q1160 WeakPolarHBondContact O-CB 3.39Å; S1156-Q1160 WeakPolarHBondContact O-CG 3.28Å; S1156-Q1160 PolarHBondContact O-N 3.11Å
1161	H	56.6	Low	64	Low	80 Å²	80	82.5 Å²	82.5	37%	0.37	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	61.5	179.6	-65.4	-20.6	0	0	0	110.8	L1157 L1158 Q1159 N1163 I1164	L1157-H1161 WeakPolarHBondContact O-CB 3.36Å; L1157-H1161 PolarHBondContact O-N 2.84Å; L1158-H1161 CarbonylContact O-C 3.53Å; L1158-H1161 PolarHBondContact O-N 3.34Å; Q1159-H1161 PolarHBondContact O-N 2.78Å; H1161-N1163 PolarHBondContact O-N 2.88Å; H1161-I1164 HydrophobicContact CB-CB 4.21Å; H1161-I1164 HydrophobicContact CB-CD1 3.86Å; H1161-I1164 HydrophobicContact CB-CG1 4.05Å; H1161-I1164 PolarHBondContact O-N 3.05Å
1162	S	45.6	Very low	64.1	Low	105 Å²	105	82.5 Å²	82.5	73%	0.734	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-10	178.5	62.3	0	0	0	0	116.5
1163	N	54.5	Low	64.1	Low	137 Å²	137	76.2 Å²	76.2	73%	0.733	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	0.5	-177.4	-59.5	7.4	0	0	0	112.7	H1161 Q1168	H1161-N1163 PolarHBondContact O-N 2.88Å; N1163-Q1168 PolarHBondContact O-OE1 3.3Å
1164	I	62.4	Low	64.2	Low	48 Å²	48	78.7 Å²	78.7	25%	0.246	41%	0.407	C	S	.	.			trans	-96.3	116.1	175.8	-70.4	-176.5	0	0	0	108.7	H1161 Q1168 F1169 K1172	H1161-I1164 HydrophobicContact CB-CB 4.21Å; H1161-I1164 HydrophobicContact CB-CD1 3.86Å; H1161-I1164 HydrophobicContact CB-CG1 4.05Å; H1161-I1164 PolarHBondContact O-N 3.05Å; I1164-Q1168 HydrophobicContact CG2-CB 3.92Å; I1164-F1169 HydrophobicContact CG2-CB 3.89Å; I1164-K1172 HydrophobicContact CD1-CD 4.49Å
1165	T	64.4	Low	64.5	Low	65 Å²	65	85.2 Å²	85.2	40%	0.399	44%	0.442	S	S	.	.			trans	-70.5	160.4	172.2	68.4	0	0	0	0	111	E1167 Q1168 F1169	T1165-E1167 PolarHBondContact O-N 2.79Å; T1165-Q1168 CarbonylContact O-C 3.56Å; T1165-Q1168 PolarHBondContact O-N 2.93Å; T1165-Q1168 WeakPolarHBondContact OG1-CG 3.12Å; T1165-Q1168 PolarHBondContact OG1-N 3.21Å; T1165-Q1168 VanDerWaalsContact OG1-N 3.17Å; T1165-F1169 PolarHBondContact O-N 3.36Å
1166	L	64.3	Low	64.8	Low	56 Å²	56	84.7 Å²	84.7	29%	0.293	44%	0.44	S	S	.	.	H	α-helix	trans	-56.5	-36.2	176.6	-161.2	86.9	0	0	0	111.8	F1169 Q1170 L1205 R1206	L1166-F1169 PolarHBondContact O-N 2.79Å; L1166-Q1170 WeakPolarHBondContact O-CB 3.49Å; L1166-Q1170 PolarHBondContact O-N 2.93Å; L1166-L1205 HydrophobicContact CD1-CB 3.97Å; L1166-L1205 HydrophobicContact CD1-CD1 4.09Å; L1166-R1206 HydrophobicContact CD2-CG 3.67Å
1167	E	68.7	Low	64.8	Low	144 Å²	144	91.1 Å²	91.1	67%	0.673	46%	0.457	S	S	*	.	H	α-helix	trans	-66.6	-42.1	174.8	-56.7	-177.2	133.3	0	0	112.4	T1165 F1169 Q1170 A1171	T1165-E1167 PolarHBondContact O-N 2.79Å; E1167-F1169 VanDerWaalsContact C-N 3.32Å; E1167-Q1170 PolarHBondContact O-N 3.39Å; E1167-A1171 VanDerWaalsContact O-CB 3.28Å; E1167-A1171 WeakPolarHBondContact O-CB 3.46Å; E1167-A1171 PolarHBondContact O-N 3.2Å
1168	Q	67.4	Low	65.3	Low	103 Å²	103	98.2 Å²	98.2	48%	0.481	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-35.4	173.9	-71.9	174	19	0	0	111.5	N1163 I1164 T1165 K1172	N1163-Q1168 PolarHBondContact O-OE1 3.3Å; I1164-Q1168 HydrophobicContact CG2-CB 3.92Å; T1165-Q1168 CarbonylContact O-C 3.56Å; T1165-Q1168 PolarHBondContact O-N 2.93Å; T1165-Q1168 WeakPolarHBondContact OG1-CG 3.12Å; T1165-Q1168 PolarHBondContact OG1-N 3.21Å; T1165-Q1168 VanDerWaalsContact OG1-N 3.17Å; Q1168-K1172 WeakPolarHBondContact O-CB 3.25Å; Q1168-K1172 PolarHBondContact O-N 3.19Å
1169	F	68.6	Low	65.9	Low	19 Å²	19	98.8 Å²	98.8	8%	0.083	48%	0.481	C	S	.	.	H	α-helix	trans	-65.1	-47.8	172.6	-175.4	-99.5	0	0	0	111	I1154 L1158 I1164 T1165 L1166 E1167 A1171 K1172 V1173 I1202	I1154-F1169 HydrophobicContact CG2-CE1 4.31Å; I1154-F1169 HydrophobicContact CG2-CZ 4.04Å; L1158-F1169 HydrophobicContact CD2-CB 4.25Å; L1158-F1169 HydrophobicContact CD2-CD2 4.08Å; L1158-F1169 HydrophobicContact CD2-CG 4.06Å; I1164-F1169 HydrophobicContact CG2-CB 3.89Å; T1165-F1169 PolarHBondContact O-N 3.36Å; L1166-F1169 PolarHBondContact O-N 2.79Å; E1167-F1169 VanDerWaalsContact C-N 3.32Å; F1169-A1171 PolarHBondContact O-N 3.31Å; F1169-K1172 PolarHBondContact O-N 2.93Å; F1169-K1172 VanDerWaalsContact O-N 3.14Å; F1169-V1173 HydrophobicContact CD1-CG2 4.13Å; F1169-V1173 HydrophobicContact CE1-CG2 3.75Å; F1169-V1173 HydrophobicContact CE2-CG2 4.4Å; F1169-V1173 HydrophobicContact CZ-CG2 3.9Å; F1169-V1173 WeakPolarHBondContact O-CG2 3.23Å; F1169-V1173 PolarHBondContact O-N 3.03Å; F1169-I1202 HydrophobicContact CD1-CD1 4.12Å; F1169-I1202 HydrophobicContact CD1-CG1 4.17Å; F1169-I1202 HydrophobicContact CE1-CD1 4.18Å; F1169-I1202 HydrophobicContact CE1-CG1 4.18Å
1170	Q	73	Confident	66.5	Low	73 Å²	73	91.8 Å²	91.8	34%	0.341	45%	0.449	S	S	.	.	H	α-helix	trans	-59.3	-46.9	176.2	-174.8	173.2	6.7	0	0	111.6	L1166 E1167 K1172 V1173 H1174 I1202	L1166-Q1170 WeakPolarHBondContact O-CB 3.49Å; L1166-Q1170 PolarHBondContact O-N 2.93Å; E1167-Q1170 PolarHBondContact O-N 3.39Å; Q1170-K1172 VanDerWaalsContact C-N 3.32Å; Q1170-K1172 PolarHBondContact O-N 3.41Å; Q1170-V1173 PolarHBondContact O-N 2.8Å; Q1170-H1174 WeakPolarHBondContact O-CB 3.42Å; Q1170-H1174 PolarHBondContact O-N 2.84Å; Q1170-I1202 HydrophobicContact CB-CD1 4.27Å; Q1170-I1202 HydrophobicContact CB-CG2 4.47Å; Q1170-I1202 HydrophobicContact CG-CD1 4.32Å; Q1170-I1202 HydrophobicContact CG-CG2 4.39Å
1171	A	71.8	Confident	67.2	Low	49 Å²	49	88.6 Å²	88.6	41%	0.405	44%	0.435	S	S	.	.	H	α-helix	trans	-62.9	-36.9	174.8	0	0	0	0	0	112.3	E1167 F1169 H1174 N1175	E1167-A1171 VanDerWaalsContact O-CB 3.28Å; E1167-A1171 WeakPolarHBondContact O-CB 3.46Å; E1167-A1171 PolarHBondContact O-N 3.2Å; F1169-A1171 PolarHBondContact O-N 3.31Å; A1171-H1174 PolarHBondContact O-N 2.87Å; A1171-N1175 WeakPolarHBondContact O-CB 3.24Å; A1171-N1175 PolarHBondContact O-N 3.03Å; A1171-N1175 PolarHBondContact O-ND2 3.13Å
1172	K	68.8	Low	68.1	Low	94 Å²	94	89 Å²	89	41%	0.409	44%	0.44	S	S	.	.	H	α-helix	trans	-68.6	-45.1	176.9	-170.1	175.9	-177.9	-175.9	0	111.6	I1164 Q1168 F1169 Q1170 H1174 N1175 D1176	I1164-K1172 HydrophobicContact CD1-CD 4.49Å; Q1168-K1172 WeakPolarHBondContact O-CB 3.25Å; Q1168-K1172 PolarHBondContact O-N 3.19Å; F1169-K1172 PolarHBondContact O-N 2.93Å; F1169-K1172 VanDerWaalsContact O-N 3.14Å; Q1170-K1172 VanDerWaalsContact C-N 3.32Å; Q1170-K1172 PolarHBondContact O-N 3.41Å; K1172-H1174 VanDerWaalsContact C-N 3.32Å; K1172-H1174 PolarHBondContact O-N 3.44Å; K1172-N1175 PolarHBondContact O-N 3.45Å; K1172-D1176 WeakPolarHBondContact O-CB 3.33Å; K1172-D1176 PolarHBondContact O-N 3.3Å
1173	V	69.4	Low	69	Low	9 Å²	9	84.1 Å²	84.1	6%	0.055	41%	0.406	C	S	.	.	H	α-helix	trans	-58.9	-42.6	173.4	169.8	0	0	0	0	111.4	F1169 Q1170 N1175 F1179 L1180 V1198	F1169-V1173 HydrophobicContact CD1-CG2 4.13Å; F1169-V1173 HydrophobicContact CE1-CG2 3.75Å; F1169-V1173 HydrophobicContact CE2-CG2 4.4Å; F1169-V1173 HydrophobicContact CZ-CG2 3.9Å; F1169-V1173 WeakPolarHBondContact O-CG2 3.23Å; F1169-V1173 PolarHBondContact O-N 3.03Å; Q1170-V1173 PolarHBondContact O-N 2.8Å; V1173-N1175 VanDerWaalsContact C-N 3.33Å; V1173-N1175 PolarHBondContact O-N 3.02Å; V1173-F1179 HydrophobicContact CG2-CD1 4.2Å; V1173-F1179 HydrophobicContact CG2-CE1 3.97Å; V1173-L1180 HydrophobicContact CG1-CD2 4.25Å; V1173-V1198 HydrophobicContact CG1-CG1 3.75Å; V1173-V1198 HydrophobicContact CG2-CG1 4.13Å
1174	H	69.2	Low	69.9	Low	150 Å²	150	78.1 Å²	78.1	69%	0.694	38%	0.375	S	S	*	.	H	α-helix	trans	-69.5	-29.3	-179.4	-140.8	60.3	0	0	0	113.1	Q1170 A1171 K1172	Q1170-H1174 WeakPolarHBondContact O-CB 3.42Å; Q1170-H1174 PolarHBondContact O-N 2.84Å; A1171-H1174 PolarHBondContact O-N 2.87Å; K1172-H1174 VanDerWaalsContact C-N 3.32Å; K1172-H1174 PolarHBondContact O-N 3.44Å
1175	N	71.3	Confident	70.5	Confident	137 Å²	137	82.3 Å²	82.3	73%	0.733	39%	0.394	S	S	*	.	H	α-helix	trans	-85.2	-42.3	176	-76.6	-60.6	0	0	0	112.9	A1171 K1172 V1173 R1177	A1171-N1175 WeakPolarHBondContact O-CB 3.24Å; A1171-N1175 PolarHBondContact O-N 3.03Å; A1171-N1175 PolarHBondContact O-ND2 3.13Å; K1172-N1175 PolarHBondContact O-N 3.45Å; V1173-N1175 VanDerWaalsContact C-N 3.33Å; V1173-N1175 PolarHBondContact O-N 3.02Å; N1175-R1177 VanDerWaalsContact C-N 3.27Å; N1175-R1177 PolarHBondContact O-N 3.39Å
1176	D	70.7	Confident	70.7	Confident	73 Å²	73	84.4 Å²	84.4	39%	0.39	40%	0.399	S	S	.	.			trans	-79.1	70.7	178.1	-88.6	-47	0	0	0	111.3	K1172 R1178 F1179 L1180	K1172-D1176 WeakPolarHBondContact O-CB 3.33Å; K1172-D1176 PolarHBondContact O-N 3.3Å; D1176-R1178 PolarHBondContact O-N 2.87Å; D1176-F1179 HydrophobicContact CB-CB 3.81Å; D1176-F1179 WeakPolarHBondContact O-CA 3.29Å; D1176-F1179 VanDerWaalsContact O-CB 3.27Å; D1176-F1179 WeakPolarHBondContact O-CB 3.47Å; D1176-F1179 PolarHBondContact O-N 2.91Å; D1176-L1180 PolarHBondContact O-N 2.58Å
1177	R	71.2	Confident	70.5	Confident	178 Å²	178	84.2 Å²	84.2	67%	0.672	40%	0.396	S	S	*	.	H	α-helix	trans	-54.3	-23.5	166.7	-169.6	172.4	-177.1	159.1	4.2	112.3	N1175 M1181	N1175-R1177 VanDerWaalsContact C-N 3.27Å; N1175-R1177 PolarHBondContact O-N 3.39Å; R1177-M1181 HydrophobicContact CG-SD 4.47Å; R1177-M1181 VanDerWaalsContact O-CG 3.29Å; R1177-M1181 WeakPolarHBondContact O-CG 3.32Å; R1177-M1181 PolarHBondContact O-N 2.83Å
1178	R	73.8	Confident	70.2	Confident	196 Å²	196	85.9 Å²	85.9	74%	0.74	40%	0.404	S	S	*	.	H	α-helix	trans	-67.5	-32.1	170.5	-71.7	-177.8	174	-179.3	-1.6	113.9	D1176 N1182	D1176-R1178 PolarHBondContact O-N 2.87Å; R1178-N1182 VanDerWaalsContact O-CB 3.26Å; R1178-N1182 WeakPolarHBondContact O-CB 3.38Å; R1178-N1182 PolarHBondContact O-N 2.69Å; R1178-N1182 PolarHBondContact O-ND2 3.21Å; R1178-N1182 PolarHBondContact O-OD1 2.9Å
1179	F	71.8	Confident	70.1	Confident	51 Å²	51	82.3 Å²	82.3	22%	0.224	39%	0.389	C	S	.	.	H	α-helix	trans	-65.5	-48.5	174	175.2	-106.4	0	0	0	110.1	V1173 D1176 M1181 N1182 L1183	V1173-F1179 HydrophobicContact CG2-CD1 4.2Å; V1173-F1179 HydrophobicContact CG2-CE1 3.97Å; D1176-F1179 HydrophobicContact CB-CB 3.81Å; D1176-F1179 WeakPolarHBondContact O-CA 3.29Å; D1176-F1179 VanDerWaalsContact O-CB 3.27Å; D1176-F1179 WeakPolarHBondContact O-CB 3.47Å; D1176-F1179 PolarHBondContact O-N 2.91Å; F1179-M1181 PolarHBondContact O-N 3.46Å; F1179-N1182 PolarHBondContact O-N 3.26Å; F1179-L1183 HydrophobicContact CD1-CD1 3.77Å; F1179-L1183 HydrophobicContact CD2-CD1 4.39Å; F1179-L1183 HydrophobicContact CE1-CD1 3.47Å; F1179-L1183 VanDerWaalsContact CE1-CD1 3.47Å; F1179-L1183 HydrophobicContact CE2-CD1 4.13Å; F1179-L1183 HydrophobicContact CG-CD1 4.22Å; F1179-L1183 HydrophobicContact CZ-CD1 3.68Å; F1179-L1183 WeakPolarHBondContact O-CB 3.32Å; F1179-L1183 WeakPolarHBondContact O-CG 3.33Å; F1179-L1183 PolarHBondContact O-N 2.8Å
1180	L	73.2	Confident	70.3	Confident	15 Å²	15	87 Å²	87	8%	0.079	41%	0.411	C	S	.	.	H	α-helix	trans	-61.8	-40.8	175.1	-63.3	174.6	0	0	0	112.7	V1173 D1176 L1183 A1184 I1191 V1194 D1195 V1198	V1173-L1180 HydrophobicContact CG1-CD2 4.25Å; D1176-L1180 PolarHBondContact O-N 2.58Å; L1180-L1183 PolarHBondContact O-N 2.84Å; L1180-A1184 WeakPolarHBondContact O-CB 3.29Å; L1180-A1184 PolarHBondContact O-N 3.42Å; L1180-I1191 HydrophobicContact CB-CG2 4.37Å; L1180-V1194 HydrophobicContact CD2-CG1 3.9Å; L1180-D1195 HydrophobicContact CD1-CB 4.25Å; L1180-D1195 HydrophobicContact CD2-CB 4.39Å; L1180-V1198 HydrophobicContact CD2-CG2 4.49Å
1181	M	74.3	Confident	70.4	Confident	79 Å²	79	86.4 Å²	86.4	39%	0.389	41%	0.41	S	S	.	.	H	α-helix	trans	-66.6	-44.9	175	-71.8	178.9	104.3	0	0	112.5	R1177 F1179 L1183 A1184 E1185 I1191	R1177-M1181 HydrophobicContact CG-SD 4.47Å; R1177-M1181 VanDerWaalsContact O-CG 3.29Å; R1177-M1181 WeakPolarHBondContact O-CG 3.32Å; R1177-M1181 PolarHBondContact O-N 2.83Å; F1179-M1181 PolarHBondContact O-N 3.46Å; M1181-L1183 VanDerWaalsContact C-N 3.27Å; M1181-L1183 PolarHBondContact O-N 3.35Å; M1181-A1184 PolarHBondContact O-N 2.92Å; M1181-E1185 WeakPolarHBondContact O-CB 3.47Å; M1181-E1185 WeakPolarHBondContact O-CG 3.21Å; M1181-E1185 PolarHBondContact O-N 3.43Å; M1181-I1191 HydrophobicContact CE-CD1 4.14Å; M1181-I1191 HydrophobicContact CG-CD1 3.77Å; M1181-I1191 HydrophobicContact CG-CG1 4.47Å
1182	N	75	Confident	70.4	Confident	87 Å²	87	90 Å²	90	47%	0.465	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-34.4	176.9	-71.6	-4.8	0	0	0	112.2	R1178 F1179 Q1186	R1178-N1182 VanDerWaalsContact O-CB 3.26Å; R1178-N1182 WeakPolarHBondContact O-CB 3.38Å; R1178-N1182 PolarHBondContact O-N 2.69Å; R1178-N1182 PolarHBondContact O-ND2 3.21Å; R1178-N1182 PolarHBondContact O-OD1 2.9Å; F1179-N1182 PolarHBondContact O-N 3.26Å; N1182-Q1186 VanDerWaalsContact O-CB 3.22Å; N1182-Q1186 WeakPolarHBondContact O-CB 3.29Å; N1182-Q1186 WeakPolarHBondContact O-CG 3.29Å; N1182-Q1186 PolarHBondContact O-N 2.77Å
1183	L	65.1	Low	70.3	Confident	4 Å²	4	91 Å²	91	2%	0.021	42%	0.424	C	S	.	.	H	α-helix	trans	-66.6	-48.2	173.7	-84.1	163	0	0	0	112	W1146 E1150 F1179 L1180 M1181 E1185 Q1186 H1187 V1194 V1198	W1146-L1183 HydrophobicContact CZ3-CD2 4.21Å; E1150-L1183 HydrophobicContact CG-CD2 3.58Å; E1150-L1183 WeakPolarHBondContact OE1-CD2 3.27Å; F1179-L1183 HydrophobicContact CD1-CD1 3.77Å; F1179-L1183 HydrophobicContact CD2-CD1 4.39Å; F1179-L1183 HydrophobicContact CE1-CD1 3.47Å; F1179-L1183 VanDerWaalsContact CE1-CD1 3.47Å; F1179-L1183 HydrophobicContact CE2-CD1 4.13Å; F1179-L1183 HydrophobicContact CG-CD1 4.22Å; F1179-L1183 HydrophobicContact CZ-CD1 3.68Å; F1179-L1183 WeakPolarHBondContact O-CB 3.32Å; F1179-L1183 WeakPolarHBondContact O-CG 3.33Å; F1179-L1183 PolarHBondContact O-N 2.8Å; L1180-L1183 PolarHBondContact O-N 2.84Å; M1181-L1183 VanDerWaalsContact C-N 3.27Å; M1181-L1183 PolarHBondContact O-N 3.35Å; L1183-E1185 VanDerWaalsContact C-N 3.33Å; L1183-E1185 PolarHBondContact O-N 3.47Å; L1183-Q1186 PolarHBondContact O-N 3.17Å; L1183-H1187 PolarHBondContact O-CD2 3.1Å; L1183-H1187 PolarHBondContact O-N 2.94Å; L1183-H1187 VanDerWaalsContact O-N 3.15Å; L1183-V1194 HydrophobicContact CB-CG1 3.55Å; L1183-V1194 HydrophobicContact CB-CG2 4.39Å; L1183-V1194 HydrophobicContact CD1-CG1 3.81Å; L1183-V1194 HydrophobicContact CG-CG1 4.27Å; L1183-V1198 HydrophobicContact CD1-CG2 4.38Å
1184	A	73.4	Confident	70.3	Confident	11 Å²	11	90.6 Å²	90.6	9%	0.091	42%	0.422	C	S	.	.	H	α-helix	trans	-58.6	-43.7	176.2	0	0	0	0	0	111.8	L1180 M1181 H1188 V1189 I1191 V1194	L1180-A1184 WeakPolarHBondContact O-CB 3.29Å; L1180-A1184 PolarHBondContact O-N 3.42Å; M1181-A1184 PolarHBondContact O-N 2.92Å; A1184-H1188 WeakPolarHBondContact O-CA 3.48Å; A1184-H1188 PolarHBondContact O-N 3.27Å; A1184-V1189 WeakPolarHBondContact CA-O 3.12Å; A1184-V1189 WeakPolarHBondContact CB-O 3.46Å; A1184-V1189 PolarHBondContact O-N 3.49Å; A1184-I1191 HydrophobicContact CB-CG1 3.64Å; A1184-V1194 HydrophobicContact CB-CG2 4.1Å
1185	E	74.5	Confident	70.6	Confident	136 Å²	136	85 Å²	85	64%	0.636	40%	0.397	S	S	*	.	H	α-helix	trans	-68	-40.9	175.9	-72.8	-179.8	-170.6	0	0	112.9	M1181 L1183 H1187 H1188	M1181-E1185 WeakPolarHBondContact O-CB 3.47Å; M1181-E1185 WeakPolarHBondContact O-CG 3.21Å; M1181-E1185 PolarHBondContact O-N 3.43Å; L1183-E1185 VanDerWaalsContact C-N 3.33Å; L1183-E1185 PolarHBondContact O-N 3.47Å; E1185-H1187 PolarHBondContact O-N 3.39Å; E1185-H1188 PolarHBondContact O-ND1 2.93Å
1186	Q	70.2	Confident	70.7	Confident	109 Å²	109	83.1 Å²	83.1	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-66.7	-32.3	-178.7	-83.3	177.7	7	0	0	113.7	N1182 L1183	N1182-Q1186 VanDerWaalsContact O-CB 3.22Å; N1182-Q1186 WeakPolarHBondContact O-CB 3.29Å; N1182-Q1186 WeakPolarHBondContact O-CG 3.29Å; N1182-Q1186 PolarHBondContact O-N 2.77Å; L1183-Q1186 PolarHBondContact O-N 3.17Å
1187	H	59.9	Low	70.8	Confident	51 Å²	51	80.7 Å²	80.7	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-117	-0.3	-172.8	-59.2	-70	0	0	0	114.6	W1146 E1150 L1183 E1185 V1189	W1146-H1187 HydrophobicContact CB-CB 4.13Å; W1146-H1187 HydrophobicContact CD2-CB 3.75Å; W1146-H1187 AromaticContact CD2-CG 3.8Å; W1146-H1187 HydrophobicContact CE3-CB 3.74Å; W1146-H1187 AromaticContact CE3-CD2 3.14Å; W1146-H1187 AromaticContact CE3-CE1 3.94Å; W1146-H1187 AromaticContact CE3-CG 3.34Å; W1146-H1187 AromaticContact CE3-ND1 3.87Å; W1146-H1187 AromaticContact CE3-NE2 3.54Å; W1146-H1187 HydrophobicContact CG-CB 3.96Å; W1146-H1187 HydrophobicContact CZ3-CB 4.31Å; W1146-H1187 AromaticContact CZ3-CD2 3.4Å; W1146-H1187 WeakPolarHBondContact CZ3-CD2 3.23Å; W1146-H1187 AromaticContact CZ3-CG 3.98Å; W1146-H1187 AromaticContact CZ3-NE2 3.95Å; E1150-H1187 IonicContact OE2-CD2 2.69Å; E1150-H1187 IonicContact OE2-CE1 3.63Å; E1150-H1187 IonicContact OE2-NE2 2.63Å; E1150-H1187 PolarHBondContact OE2-NE2 3.14Å; L1183-H1187 PolarHBondContact O-CD2 3.1Å; L1183-H1187 PolarHBondContact O-N 2.94Å; L1183-H1187 VanDerWaalsContact O-N 3.15Å; E1185-H1187 PolarHBondContact O-N 3.39Å; H1187-V1189 HydrophobicContact CB-CG2 4.25Å
1188	H	62.3	Low	70.8	Confident	179 Å²	179	72.3 Å²	72.3	83%	0.829	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	44	-179.7	-54.1	-25.4	0	0	0	114.2	A1184 E1185	A1184-H1188 WeakPolarHBondContact O-CA 3.48Å; A1184-H1188 PolarHBondContact O-N 3.27Å; E1185-H1188 PolarHBondContact O-ND1 2.93Å
1189	V	64.9	Low	70.9	Confident	29 Å²	29	67.4 Å²	67.4	18%	0.176	33%	0.325	C	S	.	.			trans	-120.3	148.7	-174.4	174	0	0	0	0	109.5	W1146 A1184 H1187 E1193 V1194	W1146-V1189 HydrophobicContact CZ2-CB 4.33Å; W1146-V1189 HydrophobicContact CZ2-CG1 4.02Å; W1146-V1189 HydrophobicContact CZ2-CG2 4.09Å; A1184-V1189 WeakPolarHBondContact CA-O 3.12Å; A1184-V1189 WeakPolarHBondContact CB-O 3.46Å; A1184-V1189 PolarHBondContact O-N 3.49Å; H1187-V1189 HydrophobicContact CB-CG2 4.25Å; V1189-E1193 HydrophobicContact CG1-CB 3.52Å; V1189-E1193 HydrophobicContact CG1-CG 4.49Å; V1189-E1193 WeakPolarHBondContact CG1-OE2 3.18Å; V1189-V1194 HydrophobicContact CB-CG2 4.08Å; V1189-V1194 HydrophobicContact CG1-CG2 3.79Å
1190	H	73.2	Confident	71.1	Confident	118 Å²	118	70.1 Å²	70.1	55%	0.546	34%	0.338	S	S	.	.			trans	-66.3	144.8	-179.1	-141.2	-119.6	0	0	0	110.8	E1192 E1193 V1194	H1190-E1192 IonicContact CE1-OE2 3.39Å; H1190-E1192 PolarHBondContact CE1-OE2 3.02Å; H1190-E1192 IonicContact ND1-OE2 3.52Å; H1190-E1192 PolarHBondContact ND1-OE2 3.32Å; H1190-E1192 PolarHBondContact O-N 2.75Å; H1190-E1192 VanDerWaalsContact O-N 3.1Å; H1190-E1193 HydrophobicContact CB-CB 4.38Å; H1190-E1193 HydrophobicContact CB-CG 3.97Å; H1190-E1193 VanDerWaalsContact CB-OE2 3.24Å; H1190-E1193 WeakPolarHBondContact CB-OE2 3.13Å; H1190-E1193 PolarHBondContact N-OE2 3.37Å; H1190-E1193 WeakPolarHBondContact O-CB 3.32Å; H1190-E1193 PolarHBondContact O-N 2.95Å; H1190-V1194 PolarHBondContact O-N 3.22Å
1191	I	73.8	Confident	70.8	Confident	59 Å²	59	70 Å²	70	30%	0.303	34%	0.338	S	S	.	.	H	α-helix	trans	-57.7	-32.1	-178.2	-65.7	166.9	0	0	0	111.4	L1180 M1181 A1184 D1195	L1180-I1191 HydrophobicContact CB-CG2 4.37Å; M1181-I1191 HydrophobicContact CE-CD1 4.14Å; M1181-I1191 HydrophobicContact CG-CD1 3.77Å; M1181-I1191 HydrophobicContact CG-CG1 4.47Å; A1184-I1191 HydrophobicContact CB-CG1 3.64Å; I1191-D1195 VanDerWaalsContact O-CB 3.24Å; I1191-D1195 WeakPolarHBondContact O-CB 3.44Å; I1191-D1195 PolarHBondContact O-N 3.44Å
1192	E	73.5	Confident	70.6	Confident	126 Å²	126	66.8 Å²	66.8	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-71.7	-35.9	176.6	-66	160.6	149.6	0	0	112.4	H1190 N1196	H1190-E1192 IonicContact CE1-OE2 3.39Å; H1190-E1192 PolarHBondContact CE1-OE2 3.02Å; H1190-E1192 IonicContact ND1-OE2 3.52Å; H1190-E1192 PolarHBondContact ND1-OE2 3.32Å; H1190-E1192 PolarHBondContact O-N 2.75Å; H1190-E1192 VanDerWaalsContact O-N 3.1Å; E1192-N1196 WeakPolarHBondContact O-CB 3.32Å; E1192-N1196 PolarHBondContact O-N 2.88Å; E1192-N1196 PolarHBondContact O-ND2 3.01Å
1193	E	65.9	Low	70.3	Confident	115 Å²	115	67.8 Å²	67.8	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-69.7	-38.2	174.4	-63.9	171.1	138.2	0	0	110.8	V1189 H1190 Y1197	V1189-E1193 HydrophobicContact CG1-CB 3.52Å; V1189-E1193 HydrophobicContact CG1-CG 4.49Å; V1189-E1193 WeakPolarHBondContact CG1-OE2 3.18Å; H1190-E1193 HydrophobicContact CB-CB 4.38Å; H1190-E1193 HydrophobicContact CB-CG 3.97Å; H1190-E1193 VanDerWaalsContact CB-OE2 3.24Å; H1190-E1193 WeakPolarHBondContact CB-OE2 3.13Å; H1190-E1193 PolarHBondContact N-OE2 3.37Å; H1190-E1193 WeakPolarHBondContact O-CB 3.32Å; H1190-E1193 PolarHBondContact O-N 2.95Å; E1193-Y1197 VanDerWaalsContact O-CB 3.29Å; E1193-Y1197 WeakPolarHBondContact O-CB 3.14Å; E1193-Y1197 PolarHBondContact O-N 3.27Å
1194	V	69.7	Low	70.4	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-48.6	171.9	177.2	0	0	0	0	111.4	W1146 L1180 L1183 A1184 V1189 H1190 Y1197 V1198	W1146-V1194 HydrophobicContact CH2-CG2 4.1Å; W1146-V1194 HydrophobicContact CZ2-CG2 4.45Å; L1180-V1194 HydrophobicContact CD2-CG1 3.9Å; L1183-V1194 HydrophobicContact CB-CG1 3.55Å; L1183-V1194 HydrophobicContact CB-CG2 4.39Å; L1183-V1194 HydrophobicContact CD1-CG1 3.81Å; L1183-V1194 HydrophobicContact CG-CG1 4.27Å; A1184-V1194 HydrophobicContact CB-CG2 4.1Å; V1189-V1194 HydrophobicContact CB-CG2 4.08Å; V1189-V1194 HydrophobicContact CG1-CG2 3.79Å; H1190-V1194 PolarHBondContact O-N 3.22Å; V1194-Y1197 PolarHBondContact O-N 2.86Å; V1194-V1198 HydrophobicContact CG1-CG2 4.36Å; V1194-V1198 WeakPolarHBondContact O-CG2 3.49Å; V1194-V1198 PolarHBondContact O-N 2.72Å
1195	D	74.5	Confident	69.9	Low	33 Å²	33	72.2 Å²	72.2	18%	0.176	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-42.4	179.2	179.8	41.9	0	0	0	111.1	L1180 I1191 V1198 K1199	L1180-D1195 HydrophobicContact CD1-CB 4.25Å; L1180-D1195 HydrophobicContact CD2-CB 4.39Å; I1191-D1195 VanDerWaalsContact O-CB 3.24Å; I1191-D1195 WeakPolarHBondContact O-CB 3.44Å; I1191-D1195 PolarHBondContact O-N 3.44Å; D1195-V1198 PolarHBondContact O-N 3.48Å; D1195-K1199 VanDerWaalsContact O-CB 3.31Å; D1195-K1199 WeakPolarHBondContact O-CB 3.24Å; D1195-K1199 WeakPolarHBondContact O-CD 3.31Å; D1195-K1199 WeakPolarHBondContact O-CG 3.43Å; D1195-K1199 PolarHBondContact O-N 2.85Å; D1195-K1199 VanDerWaalsContact OD1-CE 3.28Å; D1195-K1199 WeakPolarHBondContact OD1-CE 3.45Å; D1195-K1199 IonicContact OD1-NZ 2.9Å; D1195-K1199 VanDerWaalsContact OD2-CE 3.31Å; D1195-K1199 WeakPolarHBondContact OD2-CE 3.48Å; D1195-K1199 IonicContact OD2-NZ 3.61Å; D1195-K1199 PolarHBondContact OD2-NZ 2.8Å
1196	N	74.9	Confident	69.4	Low	97 Å²	97	71.3 Å²	71.3	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-42.4	172.9	-71.3	-19.6	0	0	0	112.2	E1192 K1199 Q1200	E1192-N1196 WeakPolarHBondContact O-CB 3.32Å; E1192-N1196 PolarHBondContact O-N 2.88Å; E1192-N1196 PolarHBondContact O-ND2 3.01Å; N1196-K1199 PolarHBondContact O-N 3.36Å; N1196-Q1200 VanDerWaalsContact O-CB 3.31Å; N1196-Q1200 WeakPolarHBondContact O-CB 3.44Å; N1196-Q1200 PolarHBondContact O-N 3.13Å
1197	Y	71.9	Confident	68.8	Low	21 Å²	21	71.3 Å²	71.3	8%	0.082	34%	0.336	C	S	.	.	H	α-helix	trans	-66.4	-41	176.9	-176.5	-110.8	0	0	0	112.4	W1146 Q1147 E1193 V1194 Q1200 V1201	W1146-Y1197 HydrophobicContact CH2-CD1 4.23Å; W1146-Y1197 HydrophobicContact CZ2-CD1 4.48Å; Q1147-Y1197 HydrophobicContact CB-CE1 4.36Å; Q1147-Y1197 HydrophobicContact CB-CE2 4.23Å; Q1147-Y1197 HydrophobicContact CG-CD2 4.38Å; Q1147-Y1197 HydrophobicContact CG-CE1 4.25Å; Q1147-Y1197 HydrophobicContact CG-CE2 4.01Å; Q1147-Y1197 PolarHBondContact O-OH 2.98Å; E1193-Y1197 VanDerWaalsContact O-CB 3.29Å; E1193-Y1197 WeakPolarHBondContact O-CB 3.14Å; E1193-Y1197 PolarHBondContact O-N 3.27Å; V1194-Y1197 PolarHBondContact O-N 2.86Å; Y1197-Q1200 PolarHBondContact O-N 3.25Å; Y1197-V1201 HydrophobicContact CD1-CG2 4.43Å; Y1197-V1201 HydrophobicContact CE1-CG2 3.99Å; Y1197-V1201 HydrophobicContact CE2-CG2 4.15Å; Y1197-V1201 WeakPolarHBondContact O-CG2 3.01Å; Y1197-V1201 PolarHBondContact O-N 2.93Å
1198	V	71.6	Confident	68.5	Low	3 Å²	3	73.9 Å²	73.9	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-71	-36.2	177.4	177.7	0	0	0	0	111.4	I1154 V1173 L1180 L1183 V1194 D1195 V1201 I1202	I1154-V1198 HydrophobicContact CD1-CG2 4.48Å; V1173-V1198 HydrophobicContact CG1-CG1 3.75Å; V1173-V1198 HydrophobicContact CG2-CG1 4.13Å; L1180-V1198 HydrophobicContact CD2-CG2 4.49Å; L1183-V1198 HydrophobicContact CD1-CG2 4.38Å; V1194-V1198 HydrophobicContact CG1-CG2 4.36Å; V1194-V1198 WeakPolarHBondContact O-CG2 3.49Å; V1194-V1198 PolarHBondContact O-N 2.72Å; D1195-V1198 PolarHBondContact O-N 3.48Å; V1198-V1201 PolarHBondContact O-N 3.31Å; V1198-I1202 HydrophobicContact CG1-CD1 4.04Å; V1198-I1202 VanDerWaalsContact O-CG1 3.3Å; V1198-I1202 WeakPolarHBondContact O-CG1 3.21Å; V1198-I1202 PolarHBondContact O-N 2.77Å
1199	K	75.8	Confident	67.7	Low	93 Å²	93	68.5 Å²	68.5	40%	0.404	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-49	168	-76.7	163	177.1	164.6	0	111.1	D1195 N1196 V1201 I1202 E1203	D1195-K1199 VanDerWaalsContact O-CB 3.31Å; D1195-K1199 WeakPolarHBondContact O-CB 3.24Å; D1195-K1199 WeakPolarHBondContact O-CD 3.31Å; D1195-K1199 WeakPolarHBondContact O-CG 3.43Å; D1195-K1199 PolarHBondContact O-N 2.85Å; D1195-K1199 VanDerWaalsContact OD1-CE 3.28Å; D1195-K1199 WeakPolarHBondContact OD1-CE 3.45Å; D1195-K1199 IonicContact OD1-NZ 2.9Å; D1195-K1199 VanDerWaalsContact OD2-CE 3.31Å; D1195-K1199 WeakPolarHBondContact OD2-CE 3.48Å; D1195-K1199 IonicContact OD2-NZ 3.61Å; D1195-K1199 PolarHBondContact OD2-NZ 2.8Å; N1196-K1199 PolarHBondContact O-N 3.36Å; K1199-V1201 VanDerWaalsContact C-N 3.35Å; K1199-V1201 PolarHBondContact O-N 3.41Å; K1199-I1202 PolarHBondContact O-N 2.8Å; K1199-I1202 VanDerWaalsContact O-N 3.14Å; K1199-E1203 VanDerWaalsContact O-CB 3.3Å; K1199-E1203 WeakPolarHBondContact O-CB 3.49Å; K1199-E1203 PolarHBondContact O-N 3.25Å
1200	Q	75.2	Confident	66.6	Low	107 Å²	107	72.4 Å²	72.4	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-44.2	177.7	-174.9	175	1	0	0	111.3	N1196 Y1197 I1202 E1203 D1204	N1196-Q1200 VanDerWaalsContact O-CB 3.31Å; N1196-Q1200 WeakPolarHBondContact O-CB 3.44Å; N1196-Q1200 PolarHBondContact O-N 3.13Å; Y1197-Q1200 PolarHBondContact O-N 3.25Å; Q1200-I1202 PolarHBondContact O-N 3.47Å; Q1200-E1203 PolarHBondContact O-N 2.79Å; Q1200-D1204 VanDerWaalsContact O-CB 3.27Å; Q1200-D1204 WeakPolarHBondContact O-CB 3.23Å; Q1200-D1204 PolarHBondContact O-N 3.15Å
1201	V	68.3	Low	64.9	Low	13 Å²	13	75 Å²	75	8%	0.079	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-37.5	175.2	171	0	0	0	0	112.3	I1154 Y1197 V1198 K1199 L1205	I1154-V1201 HydrophobicContact CD1-CG1 4.24Å; I1154-V1201 HydrophobicContact CG2-CG1 4.02Å; Y1197-V1201 HydrophobicContact CD1-CG2 4.43Å; Y1197-V1201 HydrophobicContact CE1-CG2 3.99Å; Y1197-V1201 HydrophobicContact CE2-CG2 4.15Å; Y1197-V1201 WeakPolarHBondContact O-CG2 3.01Å; Y1197-V1201 PolarHBondContact O-N 2.93Å; V1198-V1201 PolarHBondContact O-N 3.31Å; K1199-V1201 VanDerWaalsContact C-N 3.35Å; K1199-V1201 PolarHBondContact O-N 3.41Å; V1201-L1205 HydrophobicContact CG1-CD1 4.07Å; V1201-L1205 VanDerWaalsContact O-CB 3.28Å; V1201-L1205 WeakPolarHBondContact O-CB 3.45Å; V1201-L1205 WeakPolarHBondContact O-CD1 3.41Å; V1201-L1205 WeakPolarHBondContact O-CG 3.08Å; V1201-L1205 PolarHBondContact O-N 2.95Å
1202	I	68.4	Low	63.6	Low	11 Å²	11	76.2 Å²	76.2	6%	0.056	38%	0.375	C	S	.	.	H	α-helix	trans	-68	-37.9	174.2	-70.7	166.5	0	0	0	111.3	F1169 Q1170 V1198 K1199 Q1200 L1205 R1206	F1169-I1202 HydrophobicContact CD1-CD1 4.12Å; F1169-I1202 HydrophobicContact CD1-CG1 4.17Å; F1169-I1202 HydrophobicContact CE1-CD1 4.18Å; F1169-I1202 HydrophobicContact CE1-CG1 4.18Å; Q1170-I1202 HydrophobicContact CB-CD1 4.27Å; Q1170-I1202 HydrophobicContact CB-CG2 4.47Å; Q1170-I1202 HydrophobicContact CG-CD1 4.32Å; Q1170-I1202 HydrophobicContact CG-CG2 4.39Å; V1198-I1202 HydrophobicContact CG1-CD1 4.04Å; V1198-I1202 VanDerWaalsContact O-CG1 3.3Å; V1198-I1202 WeakPolarHBondContact O-CG1 3.21Å; V1198-I1202 PolarHBondContact O-N 2.77Å; K1199-I1202 PolarHBondContact O-N 2.8Å; K1199-I1202 VanDerWaalsContact O-N 3.14Å; Q1200-I1202 PolarHBondContact O-N 3.47Å; I1202-L1205 PolarHBondContact O-N 3.47Å; I1202-R1206 WeakPolarHBondContact O-CG 3.29Å; I1202-R1206 PolarHBondContact O-N 3.12Å
1203	E	70.5	Confident	62.1	Low	108 Å²	108	74.7 Å²	74.7	51%	0.505	37%	0.37	S	S	.	.	H	α-helix	trans	-77.1	-34.8	-178.3	-165.8	147.4	-120.9	0	0	112.3	K1199 Q1200 R1206 K1207	K1199-E1203 VanDerWaalsContact O-CB 3.3Å; K1199-E1203 WeakPolarHBondContact O-CB 3.49Å; K1199-E1203 PolarHBondContact O-N 3.25Å; Q1200-E1203 PolarHBondContact O-N 2.79Å; E1203-R1206 WeakPolarHBondContact O-CB 3.4Å; E1203-R1206 PolarHBondContact O-N 3.14Å; E1203-K1207 VanDerWaalsContact O-CG 3.29Å; E1203-K1207 WeakPolarHBondContact O-CG 3.39Å; E1203-K1207 PolarHBondContact O-N 3.35Å
1204	D	66.6	Low	61.1	Low	59 Å²	59	76.8 Å²	76.8	32%	0.316	38%	0.38	S	S	.	.	H	α-helix	trans	-69.2	-35.5	168.3	-68.7	-17	0	0	0	110.8	Q1200 K1207 N1208	Q1200-D1204 VanDerWaalsContact O-CB 3.27Å; Q1200-D1204 WeakPolarHBondContact O-CB 3.23Å; Q1200-D1204 PolarHBondContact O-N 3.15Å; D1204-K1207 PolarHBondContact O-N 3.45Å; D1204-N1208 WeakPolarHBondContact O-CB 3.19Å; D1204-N1208 PolarHBondContact O-N 3.22Å; D1204-N1208 PolarHBondContact O-ND2 2.81Å
1205	L	62	Low	60.3	Low	49 Å²	49	81.5 Å²	81.5	26%	0.257	40%	0.402	S	S	.	.	H	α-helix	trans	-67.5	-34.1	170.4	-77.3	168.4	0	0	0	112.4	L1158 L1166 V1201 I1202 G1209	L1158-L1205 HydrophobicContact CD1-CD1 3.8Å; L1166-L1205 HydrophobicContact CD1-CB 3.97Å; L1166-L1205 HydrophobicContact CD1-CD1 4.09Å; V1201-L1205 HydrophobicContact CG1-CD1 4.07Å; V1201-L1205 VanDerWaalsContact O-CB 3.28Å; V1201-L1205 WeakPolarHBondContact O-CB 3.45Å; V1201-L1205 WeakPolarHBondContact O-CD1 3.41Å; V1201-L1205 WeakPolarHBondContact O-CG 3.08Å; V1201-L1205 PolarHBondContact O-N 2.95Å; I1202-L1205 PolarHBondContact O-N 3.47Å; L1205-G1209 PolarHBondContact O-N 3.45Å
1206	R	65.4	Low	59.3	Low	117 Å²	117	82.8 Å²	82.8	44%	0.442	41%	0.408	S	S	.	.	H	α-helix	trans	-64.1	-49.4	169.7	-75.3	178.4	176.8	-147.7	-2.6	111.2	L1166 I1202 E1203 G1209 Q1210	L1166-R1206 HydrophobicContact CD2-CG 3.67Å; I1202-R1206 WeakPolarHBondContact O-CG 3.29Å; I1202-R1206 PolarHBondContact O-N 3.12Å; E1203-R1206 WeakPolarHBondContact O-CB 3.4Å; E1203-R1206 PolarHBondContact O-N 3.14Å; R1206-G1209 CarbonylContact O-C 3.48Å; R1206-G1209 WeakPolarHBondContact O-CA 3.25Å; R1206-G1209 PolarHBondContact O-N 3.43Å; R1206-G1209 VanDerWaalsContact O-N 3.08Å; R1206-Q1210 WeakPolarHBondContact O-CG 3.44Å; R1206-Q1210 PolarHBondContact O-N 3.28Å
1207	K	57.6	Low	58.5	Low	110 Å²	110	82.9 Å²	82.9	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-39.7	179.3	-70.4	164.8	-172.9	165.6	0	112.7	E1203 D1204 G1209 Q1210	E1203-K1207 VanDerWaalsContact O-CG 3.29Å; E1203-K1207 WeakPolarHBondContact O-CG 3.39Å; E1203-K1207 PolarHBondContact O-N 3.35Å; D1204-K1207 PolarHBondContact O-N 3.45Å; K1207-G1209 PolarHBondContact O-N 2.87Å; K1207-Q1210 WeakPolarHBondContact O-CA 3.12Å; K1207-Q1210 WeakPolarHBondContact O-CB 3.49Å; K1207-Q1210 PolarHBondContact O-N 3.24Å
1208	N	52.4	Low	57.8	Low	104 Å²	104	85.9 Å²	85.9	56%	0.556	43%	0.426	S	S	*	.	H	α-helix	trans	-68.8	-22.7	173.6	-69	-34.9	0	0	0	112.2	D1204 Q1210	D1204-N1208 WeakPolarHBondContact O-CB 3.19Å; D1204-N1208 PolarHBondContact O-N 3.22Å; D1204-N1208 PolarHBondContact O-ND2 2.81Å; N1208-Q1210 VanDerWaalsContact C-N 3.32Å
1209	G	46.7	Very low	57.5	Low	67 Å²	67	86.1 Å²	86.1	69%	0.691	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-2	166.2	0	0	0	0	0	114.9	L1205 R1206 K1207	L1205-G1209 PolarHBondContact O-N 3.45Å; R1206-G1209 CarbonylContact O-C 3.48Å; R1206-G1209 WeakPolarHBondContact O-CA 3.25Å; R1206-G1209 PolarHBondContact O-N 3.43Å; R1206-G1209 VanDerWaalsContact O-N 3.08Å; K1207-G1209 PolarHBondContact O-N 2.87Å
1210	Q	41.6	Very low	57.2	Low	111 Å²	111	85.4 Å²	85.4	52%	0.519	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	21.4	178.5	-72.4	173.2	-42.1	0	0	112.6	R1206 K1207 N1208 E1212 I1213	R1206-Q1210 WeakPolarHBondContact O-CG 3.44Å; R1206-Q1210 PolarHBondContact O-N 3.28Å; K1207-Q1210 WeakPolarHBondContact O-CA 3.12Å; K1207-Q1210 WeakPolarHBondContact O-CB 3.49Å; K1207-Q1210 PolarHBondContact O-N 3.24Å; N1208-Q1210 VanDerWaalsContact C-N 3.32Å; Q1210-E1212 PolarHBondContact O-N 2.91Å; Q1210-I1213 WeakPolarHBondContact O-CG1 3.36Å; Q1210-I1213 PolarHBondContact O-N 2.61Å
1211	F	36.3	Very low	56.9	Low	172 Å²	172	88.3 Å²	88.3	75%	0.754	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	1.8	-179.7	-100.8	-91	0	0	0	115.4	I1213	F1211-I1213 VanDerWaalsContact C-N 3.3Å
1212	E	47.6	Very low	57	Low	84 Å²	84	91.6 Å²	91.6	39%	0.393	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	18	170	-72.5	176.2	-177.6	0	0	113.3	Q1210 E1214 Q1215 L1216	Q1210-E1212 PolarHBondContact O-N 2.91Å; E1212-E1214 PolarHBondContact O-N 3.25Å; E1212-E1214 VanDerWaalsContact O-N 3.17Å; E1212-Q1215 HydrophobicContact CB-CB 4.2Å; E1212-Q1215 HydrophobicContact CB-CG 4.38Å; E1212-Q1215 HydrophobicContact CG-CG 4.4Å; E1212-Q1215 CarbonylContact O-C 3.51Å; E1212-Q1215 WeakPolarHBondContact O-CA 3.44Å; E1212-Q1215 WeakPolarHBondContact O-CB 3.25Å; E1212-Q1215 PolarHBondContact O-N 3.26Å; E1212-L1216 PolarHBondContact O-N 2.69Å
1213	I	41.3	Very low	57.1	Low	94 Å²	94	91.4 Å²	91.4	48%	0.482	45%	0.45	S	S	.	.	H	α-helix	trans	-53.9	-35	176.9	-80.3	159	0	0	0	112.9	Q1210 F1211 L1216 Q1217	Q1210-I1213 WeakPolarHBondContact O-CG1 3.36Å; Q1210-I1213 PolarHBondContact O-N 2.61Å; F1211-I1213 VanDerWaalsContact C-N 3.3Å; I1213-L1216 PolarHBondContact O-N 3.05Å; I1213-Q1217 WeakPolarHBondContact O-CG 3.5Å; I1213-Q1217 PolarHBondContact O-N 2.82Å
1214	E	44.7	Very low	57.2	Low	160 Å²	160	90.6 Å²	90.6	75%	0.748	44%	0.442	S	S	*	.	H	α-helix	trans	-72.2	-34.4	174.9	-65.3	-174.6	145.7	0	0	112.3	E1212 Q1217 T1218	E1212-E1214 PolarHBondContact O-N 3.25Å; E1212-E1214 VanDerWaalsContact O-N 3.17Å; E1214-Q1217 PolarHBondContact O-N 3.25Å; E1214-T1218 WeakPolarHBondContact O-CB 3.37Å; E1214-T1218 PolarHBondContact O-N 3.32Å; E1214-T1218 PolarHBondContact O-OG1 3.08Å
1215	Q	53.3	Low	57.5	Low	98 Å²	98	91.7 Å²	91.7	46%	0.458	45%	0.448	S	S	.	.	H	α-helix	trans	-69	-39.3	171.8	-57.9	-168.8	24.7	0	0	111.3	E1212 T1218 W1219	E1212-Q1215 HydrophobicContact CB-CB 4.2Å; E1212-Q1215 HydrophobicContact CB-CG 4.38Å; E1212-Q1215 HydrophobicContact CG-CG 4.4Å; E1212-Q1215 CarbonylContact O-C 3.51Å; E1212-Q1215 WeakPolarHBondContact O-CA 3.44Å; E1212-Q1215 WeakPolarHBondContact O-CB 3.25Å; E1212-Q1215 PolarHBondContact O-N 3.26Å; Q1215-T1218 CarbonylContact O-C 3.47Å; Q1215-T1218 WeakPolarHBondContact O-CB 3.24Å; Q1215-T1218 PolarHBondContact O-N 2.83Å; Q1215-T1218 VanDerWaalsContact O-N 3.14Å; Q1215-W1219 WeakPolarHBondContact O-CB 3.34Å; Q1215-W1219 PolarHBondContact O-N 3.32Å
1216	L	53.1	Low	58	Low	61 Å²	61	92.3 Å²	92.3	32%	0.319	45%	0.448	S	S	.	.	H	α-helix	trans	-60.6	-42.9	172	-90.2	161.2	0	0	0	112.3	E1212 I1213 T1218 W1219 Q1220 I1263	E1212-L1216 PolarHBondContact O-N 2.69Å; I1213-L1216 PolarHBondContact O-N 3.05Å; L1216-T1218 VanDerWaalsContact C-N 3.3Å; L1216-T1218 PolarHBondContact O-N 2.97Å; L1216-W1219 HydrophobicContact CD2-CE3 3.8Å; L1216-W1219 HydrophobicContact CD2-CZ3 4.05Å; L1216-Q1220 WeakPolarHBondContact O-CB 3.12Å; L1216-Q1220 WeakPolarHBondContact O-CG 3.31Å; L1216-Q1220 PolarHBondContact O-N 3.07Å; L1216-I1263 HydrophobicContact CD2-CD1 3.56Å; L1216-I1263 HydrophobicContact CD2-CG1 4.38Å
1217	Q	58.1	Low	58.2	Low	99 Å²	99	86.8 Å²	86.8	46%	0.463	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-33.7	172.9	-75.1	-169.5	27.1	0	0	112.3	I1213 E1214 R1221	I1213-Q1217 WeakPolarHBondContact O-CG 3.5Å; I1213-Q1217 PolarHBondContact O-N 2.82Å; E1214-Q1217 PolarHBondContact O-N 3.25Å; Q1217-R1221 VanDerWaalsContact O-CG 3.31Å; Q1217-R1221 WeakPolarHBondContact O-CG 3.41Å; Q1217-R1221 PolarHBondContact O-N 3.3Å; Q1217-R1221 VanDerWaalsContact O-N 3.08Å
1218	T	56.4	Low	58.9	Low	83 Å²	83	85.8 Å²	85.8	51%	0.509	42%	0.422	S	S	.	.	H	α-helix	trans	-69.7	-45.6	177.1	-57.7	0	0	0	0	110.5	E1214 Q1215 L1216 R1221 V1222	E1214-T1218 WeakPolarHBondContact O-CB 3.37Å; E1214-T1218 PolarHBondContact O-N 3.32Å; E1214-T1218 PolarHBondContact O-OG1 3.08Å; Q1215-T1218 CarbonylContact O-C 3.47Å; Q1215-T1218 WeakPolarHBondContact O-CB 3.24Å; Q1215-T1218 PolarHBondContact O-N 2.83Å; Q1215-T1218 VanDerWaalsContact O-N 3.14Å; L1216-T1218 VanDerWaalsContact C-N 3.3Å; L1216-T1218 PolarHBondContact O-N 2.97Å; T1218-R1221 WeakPolarHBondContact O-CB 3.4Å; T1218-R1221 PolarHBondContact O-N 3.41Å; T1218-R1221 VanDerWaalsContact O-N 3.12Å; T1218-V1222 WeakPolarHBondContact O-CG2 3.34Å; T1218-V1222 PolarHBondContact O-N 2.92Å
1219	W	66.1	Low	59.9	Low	9 Å²	9	83 Å²	83	3%	0.034	41%	0.411	C	S	.	.	H	α-helix	trans	-56.4	-48.7	170.8	167.7	69.3	0	0	0	112	Q1215 L1216 R1221 V1222 E1223 Y1261 I1263 I1268 W1271	Q1215-W1219 WeakPolarHBondContact O-CB 3.34Å; Q1215-W1219 PolarHBondContact O-N 3.32Å; L1216-W1219 HydrophobicContact CD2-CE3 3.8Å; L1216-W1219 HydrophobicContact CD2-CZ3 4.05Å; W1219-R1221 PolarHBondContact O-N 3.48Å; W1219-V1222 PolarHBondContact O-N 2.85Å; W1219-E1223 HydrophobicContact CG-CG 4.47Å; W1219-E1223 VanDerWaalsContact NE1-CG 3.32Å; W1219-E1223 PolarHBondContact O-N 3.46Å; W1219-Y1261 HydrophobicContact CB-CE1 4.2Å; W1219-Y1261 HydrophobicContact CB-CE2 4.23Å; W1219-Y1261 AromaticContact CD1-CD2 3.72Å; W1219-Y1261 AromaticContact CD1-CE2 3.48Å; W1219-Y1261 VanDerWaalsContact CD1-CE2 3.48Å; W1219-Y1261 HydrophobicContact CG-CD2 4.14Å; W1219-Y1261 HydrophobicContact CG-CE2 4.04Å; W1219-I1263 HydrophobicContact CD2-CD1 4.23Å; W1219-I1263 HydrophobicContact CE3-CD1 3.99Å; W1219-I1263 HydrophobicContact CH2-CD1 4.08Å; W1219-I1263 HydrophobicContact CZ2-CD1 4.3Å; W1219-I1263 HydrophobicContact CZ3-CD1 3.91Å; W1219-I1268 HydrophobicContact CH2-CG1 4.21Å; W1219-I1268 HydrophobicContact CZ2-CB 4.4Å; W1219-I1268 HydrophobicContact CZ2-CD1 4.09Å; W1219-I1268 HydrophobicContact CZ2-CG1 3.8Å; W1219-I1268 HydrophobicContact CZ2-CG2 4.07Å; W1219-W1271 HydrophobicContact CH2-CD2 4.48Å; W1219-W1271 HydrophobicContact CH2-CE3 4.38Å
1220	Q	69.6	Low	61.2	Low	77 Å²	77	80.3 Å²	80.3	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-61.6	-28.2	175.6	-75.8	-179.6	-4.2	0	0	113.4	L1216 R1224 W1271	L1216-Q1220 WeakPolarHBondContact O-CB 3.12Å; L1216-Q1220 WeakPolarHBondContact O-CG 3.31Å; L1216-Q1220 PolarHBondContact O-N 3.07Å; Q1220-R1224 WeakPolarHBondContact O-CB 3.34Å; Q1220-R1224 PolarHBondContact O-N 3.35Å; Q1220-W1271 HydrophobicContact CB-CH2 4.22Å; Q1220-W1271 HydrophobicContact CB-CZ2 3.93Å; Q1220-W1271 HydrophobicContact CG-CH2 4.27Å; Q1220-W1271 HydrophobicContact CG-CZ2 3.74Å
1221	R	69.7	Low	62.6	Low	168 Å²	168	76.4 Å²	76.4	63%	0.634	36%	0.363	S	S	*	.	H	α-helix	trans	-74.4	-49.6	172.2	-71.5	172.8	-170.9	-161.7	5.7	111	Q1217 T1218 W1219 R1224 D1225	Q1217-R1221 VanDerWaalsContact O-CG 3.31Å; Q1217-R1221 WeakPolarHBondContact O-CG 3.41Å; Q1217-R1221 PolarHBondContact O-N 3.3Å; Q1217-R1221 VanDerWaalsContact O-N 3.08Å; T1218-R1221 WeakPolarHBondContact O-CB 3.4Å; T1218-R1221 PolarHBondContact O-N 3.41Å; T1218-R1221 VanDerWaalsContact O-N 3.12Å; W1219-R1221 PolarHBondContact O-N 3.48Å; R1221-R1224 PolarHBondContact O-N 2.91Å; R1221-D1225 PolarHBondContact O-N 2.98Å
1222	V	68.6	Low	64.2	Low	82 Å²	82	71.8 Å²	71.8	50%	0.497	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-48.9	-179.5	172.6	0	0	0	0	111.7	T1218 W1219 R1224 D1225 Y1226	T1218-V1222 WeakPolarHBondContact O-CG2 3.34Å; T1218-V1222 PolarHBondContact O-N 2.92Å; W1219-V1222 PolarHBondContact O-N 2.85Å; V1222-R1224 VanDerWaalsContact C-N 3.35Å; V1222-R1224 PolarHBondContact O-N 3.32Å; V1222-D1225 CarbonylContact O-C 3.52Å; V1222-D1225 PolarHBondContact O-N 2.7Å; V1222-D1225 VanDerWaalsContact O-N 3.14Å; V1222-Y1226 PolarHBondContact O-N 2.79Å
1223	E	70.8	Confident	65.4	Low	7 Å²	7	74.3 Å²	74.3	3%	0.033	36%	0.364	C	S	.	.	H	α-helix	trans	-68.9	-32.2	178.5	-70	-54	135.5	0	0	112.8	W1219 D1225 Y1226 I1227 H1253 L1257 W1271 M1272	W1219-E1223 HydrophobicContact CG-CG 4.47Å; W1219-E1223 VanDerWaalsContact NE1-CG 3.32Å; W1219-E1223 PolarHBondContact O-N 3.46Å; E1223-D1225 VanDerWaalsContact C-N 3.29Å; E1223-D1225 PolarHBondContact O-N 3.43Å; E1223-Y1226 PolarHBondContact O-N 2.78Å; E1223-I1227 WeakPolarHBondContact O-CG1 3.43Å; E1223-I1227 PolarHBondContact O-N 3.49Å; E1223-H1253 IonicContact OE1-CE1 2.67Å; E1223-L1257 HydrophobicContact CG-CD1 4.29Å; E1223-L1257 WeakPolarHBondContact OE1-CD1 3.49Å; E1223-L1257 WeakPolarHBondContact OE1-CD2 3.39Å; E1223-W1271 HydrophobicContact CB-CH2 4.39Å; E1223-W1271 HydrophobicContact CB-CZ3 3.85Å; E1223-M1272 VanDerWaalsContact OE2-CE 3.3Å; E1223-M1272 WeakPolarHBondContact OE2-CE 3.44Å
1224	R	73.7	Confident	66.8	Low	91 Å²	91	73.9 Å²	73.9	34%	0.343	36%	0.357	S	S	.	.	H	α-helix	trans	-66.2	-35.3	171.9	-175.4	177.4	-173.1	-137.2	-6.2	111.5	Q1220 R1221 V1222 I1227 K1228 W1271 E1275 R1278	Q1220-R1224 WeakPolarHBondContact O-CB 3.34Å; Q1220-R1224 PolarHBondContact O-N 3.35Å; R1221-R1224 PolarHBondContact O-N 2.91Å; V1222-R1224 VanDerWaalsContact C-N 3.35Å; V1222-R1224 PolarHBondContact O-N 3.32Å; R1224-I1227 PolarHBondContact O-N 2.97Å; R1224-K1228 WeakPolarHBondContact O-CG 3.28Å; R1224-K1228 PolarHBondContact O-N 2.83Å; R1224-W1271 HydrophobicContact CB-CH2 4.32Å; R1224-E1275 WeakPolarHBondContact CD-OE1 3.45Å; R1224-E1275 HydrophobicContact CG-CG 4.29Å; R1224-E1275 WeakPolarHBondContact CG-OE1 3.36Å; R1224-E1275 IonicContact CZ-OE1 2.67Å; R1224-E1275 IonicContact NE-OE1 3.73Å; R1224-E1275 PolarHBondContact NE-OE1 2.77Å; R1224-E1275 IonicContact NH2-OE1 2.74Å; R1224-R1278 VanDerWaalsContact NH2-NH2 3.12Å
1225	D	71.4	Confident	67.2	Low	82 Å²	82	74.8 Å²	74.8	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-75.2	-29.1	174.3	-70.3	-20	0	0	0	112.2	R1221 V1222 E1223 K1228 S1229	R1221-D1225 PolarHBondContact O-N 2.98Å; V1222-D1225 CarbonylContact O-C 3.52Å; V1222-D1225 PolarHBondContact O-N 2.7Å; V1222-D1225 VanDerWaalsContact O-N 3.14Å; E1223-D1225 VanDerWaalsContact C-N 3.29Å; E1223-D1225 PolarHBondContact O-N 3.43Å; D1225-K1228 WeakPolarHBondContact O-CB 3.11Å; D1225-K1228 PolarHBondContact O-N 3.44Å; D1225-K1228 WeakPolarHBondContact OD1-CD 3.04Å; D1225-K1228 VanDerWaalsContact OD1-CE 3.29Å; D1225-K1228 WeakPolarHBondContact OD1-CE 3.4Å; D1225-K1228 IonicContact OD1-NZ 3.11Å; D1225-K1228 PolarHBondContact OD1-NZ 2.82Å; D1225-S1229 PolarHBondContact O-N 3.35Å
1226	Y	73.3	Confident	67.5	Low	63 Å²	63	74.9 Å²	74.9	25%	0.247	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-41.2	166.8	179.4	-122.8	0	0	0	112.4	V1222 E1223 K1228 S1229 L1230 D1250 M1272	V1222-Y1226 PolarHBondContact O-N 2.79Å; E1223-Y1226 PolarHBondContact O-N 2.78Å; Y1226-K1228 VanDerWaalsContact C-N 3.32Å; Y1226-K1228 PolarHBondContact O-N 3.46Å; Y1226-S1229 WeakPolarHBondContact CA-OG 3.16Å; Y1226-S1229 PolarHBondContact O-N 3.36Å; Y1226-S1229 PolarHBondContact O-OG 3.37Å; Y1226-L1230 HydrophobicContact CD1-CD1 4.14Å; Y1226-L1230 HydrophobicContact CE1-CD1 3.7Å; Y1226-L1230 HydrophobicContact CE2-CD1 4.21Å; Y1226-L1230 HydrophobicContact CE2-CG 4.14Å; Y1226-L1230 WeakPolarHBondContact O-CB 3.39Å; Y1226-L1230 WeakPolarHBondContact O-CG 3.17Å; Y1226-L1230 PolarHBondContact O-N 2.97Å; Y1226-D1250 PolarHBondContact OH-OD2 3.3Å; Y1226-M1272 HydrophobicContact CD1-CE 3.98Å; Y1226-M1272 HydrophobicContact CE1-CE 4.36Å
1227	I	70.1	Confident	67.9	Low	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-65.5	-36.4	173.2	-64.5	166.2	0	0	0	110.7	E1223 R1224 I1231 M1272 E1275 L1276 L1279	E1223-I1227 WeakPolarHBondContact O-CG1 3.43Å; E1223-I1227 PolarHBondContact O-N 3.49Å; R1224-I1227 PolarHBondContact O-N 2.97Å; I1227-I1231 HydrophobicContact CG2-CD1 3.93Å; I1227-I1231 WeakPolarHBondContact O-CB 3.11Å; I1227-I1231 VanDerWaalsContact O-CG1 3.25Å; I1227-I1231 WeakPolarHBondContact O-CG1 3.16Å; I1227-I1231 PolarHBondContact O-N 3.47Å; I1227-M1272 HydrophobicContact CD1-CB 4.11Å; I1227-M1272 HydrophobicContact CD1-CE 4.03Å; I1227-M1272 HydrophobicContact CD1-CG 4.22Å; I1227-M1272 HydrophobicContact CG1-CE 3.92Å; I1227-E1275 HydrophobicContact CD1-CB 4.22Å; I1227-E1275 HydrophobicContact CD1-CG 4.21Å; I1227-L1276 HydrophobicContact CG2-CB 4.29Å; I1227-L1276 HydrophobicContact CG2-CD1 4.18Å; I1227-L1276 HydrophobicContact CG2-CG 4.45Å; I1227-L1279 HydrophobicContact CB-CD1 4.28Å; I1227-L1279 HydrophobicContact CG2-CD1 3.61Å
1228	K	72.1	Confident	68.5	Low	89 Å²	89	73 Å²	73	39%	0.387	36%	0.363	S	S	.	.	H	α-helix	trans	-66.4	-39.6	170.8	-69.2	173.5	-160.7	163.8	0	112.7	R1224 D1225 Y1226 I1231 S1232	R1224-K1228 WeakPolarHBondContact O-CG 3.28Å; R1224-K1228 PolarHBondContact O-N 2.83Å; D1225-K1228 WeakPolarHBondContact O-CB 3.11Å; D1225-K1228 PolarHBondContact O-N 3.44Å; D1225-K1228 WeakPolarHBondContact OD1-CD 3.04Å; D1225-K1228 VanDerWaalsContact OD1-CE 3.29Å; D1225-K1228 WeakPolarHBondContact OD1-CE 3.4Å; D1225-K1228 IonicContact OD1-NZ 3.11Å; D1225-K1228 PolarHBondContact OD1-NZ 2.82Å; Y1226-K1228 VanDerWaalsContact C-N 3.32Å; Y1226-K1228 PolarHBondContact O-N 3.46Å; K1228-I1231 PolarHBondContact O-N 3.49Å; K1228-S1232 WeakPolarHBondContact O-CB 3.33Å; K1228-S1232 PolarHBondContact O-N 2.69Å; K1228-S1232 PolarHBondContact O-OG 2.72Å
1229	S	74.1	Confident	69.1	Low	45 Å²	45	71.6 Å²	71.6	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-45.8	177.6	70.5	0	0	0	0	110.1	D1225 Y1226 I1231 S1232 E1233	D1225-S1229 PolarHBondContact O-N 3.35Å; Y1226-S1229 WeakPolarHBondContact CA-OG 3.16Å; Y1226-S1229 PolarHBondContact O-N 3.36Å; Y1226-S1229 PolarHBondContact O-OG 3.37Å; S1229-I1231 PolarHBondContact O-N 3.03Å; S1229-S1232 WeakPolarHBondContact CA-OG 3.22Å; S1229-S1232 PolarHBondContact O-N 2.99Å; S1229-S1232 PolarHBondContact O-OG 3.42Å; S1229-S1232 VanDerWaalsContact O-OG 3.08Å; S1229-E1233 WeakPolarHBondContact O-CB 3.23Å; S1229-E1233 WeakPolarHBondContact O-CG 3.32Å; S1229-E1233 PolarHBondContact O-N 3.25Å
1230	L	72.8	Confident	69.2	Low	12 Å²	12	74.5 Å²	74.5	6%	0.063	38%	0.375	C	S	.	.	H	α-helix	trans	-54.2	-48	170.4	-77.8	170.3	0	0	0	112.5	Y1226 S1232 Y1234 Y1243 L1247	Y1226-L1230 HydrophobicContact CD1-CD1 4.14Å; Y1226-L1230 HydrophobicContact CE1-CD1 3.7Å; Y1226-L1230 HydrophobicContact CE2-CD1 4.21Å; Y1226-L1230 HydrophobicContact CE2-CG 4.14Å; Y1226-L1230 WeakPolarHBondContact O-CB 3.39Å; Y1226-L1230 WeakPolarHBondContact O-CG 3.17Å; Y1226-L1230 PolarHBondContact O-N 2.97Å; L1230-S1232 VanDerWaalsContact C-N 3.3Å; L1230-S1232 PolarHBondContact O-N 2.94Å; L1230-Y1234 HydrophobicContact CD2-CD2 4.44Å; L1230-Y1234 HydrophobicContact CD2-CE2 4.08Å; L1230-Y1234 WeakPolarHBondContact O-CD2 3.22Å; L1230-Y1234 PolarHBondContact O-N 3.49Å; L1230-Y1243 HydrophobicContact CB-CE1 4.18Å; L1230-Y1243 PolarHBondContact O-OH 3.06Å; L1230-L1247 HydrophobicContact CD1-CD2 4.26Å
1231	I	70.8	Confident	69.4	Low	29 Å²	29	73.6 Å²	73.6	15%	0.149	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-35.8	179.5	-72.5	167.9	0	0	0	112.3	I1227 K1228 S1229 K1235 Y1243 L1279 R1280	I1227-I1231 HydrophobicContact CG2-CD1 3.93Å; I1227-I1231 WeakPolarHBondContact O-CB 3.11Å; I1227-I1231 VanDerWaalsContact O-CG1 3.25Å; I1227-I1231 WeakPolarHBondContact O-CG1 3.16Å; I1227-I1231 PolarHBondContact O-N 3.47Å; K1228-I1231 PolarHBondContact O-N 3.49Å; S1229-I1231 PolarHBondContact O-N 3.03Å; I1231-K1235 PolarHBondContact O-N 3.49Å; I1231-Y1243 WeakPolarHBondContact CA-OH 3.29Å; I1231-Y1243 HydrophobicContact CG1-CE1 4.45Å; I1231-L1279 HydrophobicContact CD1-CB 3.9Å; I1231-L1279 HydrophobicContact CD1-CD1 4.28Å; I1231-R1280 HydrophobicContact CD1-CG 4.17Å
1232	S	70	Confident	69.7	Low	74 Å²	74	69.6 Å²	69.6	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-86.2	-36.9	-177	56.4	0	0	0	0	114.3	K1228 S1229 L1230 K1235	K1228-S1232 WeakPolarHBondContact O-CB 3.33Å; K1228-S1232 PolarHBondContact O-N 2.69Å; K1228-S1232 PolarHBondContact O-OG 2.72Å; S1229-S1232 WeakPolarHBondContact CA-OG 3.22Å; S1229-S1232 PolarHBondContact O-N 2.99Å; S1229-S1232 PolarHBondContact O-OG 3.42Å; S1229-S1232 VanDerWaalsContact O-OG 3.08Å; L1230-S1232 VanDerWaalsContact C-N 3.3Å; L1230-S1232 PolarHBondContact O-N 2.94Å; S1232-K1235 VanDerWaalsContact O-CG 3.24Å; S1232-K1235 WeakPolarHBondContact O-CG 3.33Å; S1232-K1235 PolarHBondContact O-N 2.78Å
1233	E	73.6	Confident	69.9	Low	137 Å²	137	65.8 Å²	65.8	64%	0.64	35%	0.346	S	S	*	.	H	α-helix	trans	-57.1	-52.6	171.8	-79.7	-166	144	0	0	110.9	S1229 K1235	S1229-E1233 WeakPolarHBondContact O-CB 3.23Å; S1229-E1233 WeakPolarHBondContact O-CG 3.32Å; S1229-E1233 PolarHBondContact O-N 3.25Å; E1233-K1235 PolarHBondContact O-N 2.85Å
1234	Y	70.5	Confident	70.1	Confident	85 Å²	85	68 Å²	68	33%	0.333	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.3	-178.1	-67.1	-80.1	0	0	0	113.1	L1230 N1236 S1237 L1238 Y1243 K1246	L1230-Y1234 HydrophobicContact CD2-CD2 4.44Å; L1230-Y1234 HydrophobicContact CD2-CE2 4.08Å; L1230-Y1234 WeakPolarHBondContact O-CD2 3.22Å; L1230-Y1234 PolarHBondContact O-N 3.49Å; Y1234-N1236 PolarHBondContact O-N 2.85Å; Y1234-S1237 VanDerWaalsContact O-CB 3.28Å; Y1234-S1237 WeakPolarHBondContact O-CB 3.48Å; Y1234-S1237 PolarHBondContact O-N 3.4Å; Y1234-S1237 PolarHBondContact O-OG 2.94Å; Y1234-L1238 HydrophobicContact CD1-CD1 3.71Å; Y1234-L1238 HydrophobicContact CD1-CG 4.15Å; Y1234-L1238 HydrophobicContact CD2-CD1 3.94Å; Y1234-L1238 HydrophobicContact CE1-CD1 4.29Å; Y1234-L1238 HydrophobicContact CG-CD1 3.52Å; Y1234-L1238 HydrophobicContact CG-CG 4.19Å; Y1234-Y1243 WeakPolarHBondContact CB-OH 3.45Å; Y1234-K1246 PolarHBondContact OH-NZ 3.4Å
1235	K	53	Low	70.3	Confident	179 Å²	179	70.2 Å²	70.2	78%	0.778	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.9	46.6	173.1	-63.4	-172.8	176.7	-177.2	0	114.1	I1231 S1232 E1233 S1237	I1231-K1235 PolarHBondContact O-N 3.49Å; S1232-K1235 VanDerWaalsContact O-CG 3.24Å; S1232-K1235 WeakPolarHBondContact O-CG 3.33Å; S1232-K1235 PolarHBondContact O-N 2.78Å; E1233-K1235 PolarHBondContact O-N 2.85Å; K1235-S1237 PolarHBondContact O-N 2.88Å; K1235-S1237 VanDerWaalsContact O-N 3.11Å
1236	N	59.5	Low	70.4	Confident	101 Å²	101	69.4 Å²	69.4	54%	0.54	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	7	-174.3	-78	-47.4	0	0	0	117.6	Y1234 L1238 R1280	Y1234-N1236 PolarHBondContact O-N 2.85Å; N1236-L1238 VanDerWaalsContact C-N 3.31Å; N1236-L1238 PolarHBondContact O-N 2.84Å; N1236-R1280 PolarHBondContact O-NH2 3.49Å; N1236-R1280 PolarHBondContact OD1-NE 3.18Å; N1236-R1280 PolarHBondContact OD1-NH2 3.44Å
1237	S	62.7	Low	70.2	Confident	95 Å²	95	66.7 Å²	66.7	66%	0.664	35%	0.353	S	S	*	.			trans	-66.1	-27.9	-176.6	75	0	0	0	0	114.5	Y1234 K1235	Y1234-S1237 VanDerWaalsContact O-CB 3.28Å; Y1234-S1237 WeakPolarHBondContact O-CB 3.48Å; Y1234-S1237 PolarHBondContact O-N 3.4Å; Y1234-S1237 PolarHBondContact O-OG 2.94Å; K1235-S1237 PolarHBondContact O-N 2.88Å; K1235-S1237 VanDerWaalsContact O-N 3.11Å
1238	L	69	Low	70.2	Confident	25 Å²	25	70.2 Å²	70.2	13%	0.131	37%	0.371	C	S	.	.	S	Bend	trans	-81.8	137	173.7	-61.5	168.1	0	0	0	110.4	Y1234 N1236 E1242 Y1243 K1246 R1280	Y1234-L1238 HydrophobicContact CD1-CD1 3.71Å; Y1234-L1238 HydrophobicContact CD1-CG 4.15Å; Y1234-L1238 HydrophobicContact CD2-CD1 3.94Å; Y1234-L1238 HydrophobicContact CE1-CD1 4.29Å; Y1234-L1238 HydrophobicContact CG-CD1 3.52Å; Y1234-L1238 HydrophobicContact CG-CG 4.19Å; N1236-L1238 VanDerWaalsContact C-N 3.31Å; N1236-L1238 PolarHBondContact O-N 2.84Å; L1238-E1242 HydrophobicContact CB-CB 4.14Å; L1238-E1242 HydrophobicContact CD2-CB 4.03Å; L1238-Y1243 HydrophobicContact CB-CD2 3.74Å; L1238-Y1243 HydrophobicContact CB-CE2 3.51Å; L1238-Y1243 HydrophobicContact CB-CG 4.45Å; L1238-Y1243 HydrophobicContact CD1-CD1 4.37Å; L1238-Y1243 HydrophobicContact CD1-CE1 4.08Å; L1238-Y1243 HydrophobicContact CD1-CE2 4.34Å; L1238-Y1243 WeakPolarHBondContact O-CE2 3.47Å; L1238-K1246 HydrophobicContact CD1-CD 3.93Å; L1238-R1280 PolarHBondContact O-NH1 2.8Å; L1238-R1280 PolarHBondContact O-NH2 2.73Å
1239	S	70.7	Confident	70.2	Confident	54 Å²	54	69.6 Å²	69.6	38%	0.378	38%	0.382	S	S	.	.			trans	-66.1	163.4	167.8	67.3	0	0	0	0	111.6	A1241 E1242 Y1243	S1239-A1241 VanDerWaalsContact C-N 3.25Å; S1239-A1241 PolarHBondContact O-N 3.45Å; S1239-E1242 WeakPolarHBondContact CB-OE2 3.44Å; S1239-E1242 PolarHBondContact N-OE2 2.9Å; S1239-E1242 PolarHBondContact O-N 2.9Å; S1239-E1242 VanDerWaalsContact OG-CD 3.31Å; S1239-E1242 WeakPolarHBondContact OG-CG 3.49Å; S1239-E1242 PolarHBondContact OG-N 3.17Å; S1239-E1242 PolarHBondContact OG-OE2 2.99Å; S1239-Y1243 VanDerWaalsContact O-CD2 3.31Å; S1239-Y1243 WeakPolarHBondContact O-CD2 3.26Å; S1239-Y1243 PolarHBondContact O-N 2.92Å; S1239-Y1243 VanDerWaalsContact O-N 3.11Å
1240	T	68	Low	70	Confident	70 Å²	70	70.2 Å²	70.2	43%	0.429	38%	0.382	S	S	.	.	H	α-helix	trans	-57.9	-38.3	175.7	34.7	0	0	0	0	112.4	Y1243 E1244 R1280	T1240-Y1243 PolarHBondContact O-N 2.72Å; T1240-E1244 WeakPolarHBondContact O-CG 3.44Å; T1240-E1244 PolarHBondContact O-N 3.17Å; T1240-R1280 HydrophobicContact CG2-CB 4.38Å
1241	A	73.5	Confident	69.8	Low	57 Å²	57	76 Å²	76	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-64.5	-39.8	175.8	0	0	0	0	0	112.5	S1239 Y1243 E1244 E1245	S1239-A1241 VanDerWaalsContact C-N 3.25Å; S1239-A1241 PolarHBondContact O-N 3.45Å; A1241-Y1243 VanDerWaalsContact C-N 3.32Å; A1241-Y1243 PolarHBondContact O-N 3.4Å; A1241-E1244 PolarHBondContact O-N 3.06Å; A1241-E1245 WeakPolarHBondContact O-CB 3.28Å; A1241-E1245 PolarHBondContact O-N 3.27Å
1242	E	75.3	Confident	69.6	Low	85 Å²	85	78.6 Å²	78.6	40%	0.397	43%	0.429	S	S	.	.	H	α-helix	trans	-71.5	-25	177.4	-69.8	159.8	129.3	0	0	112.7	L1238 S1239 K1246	L1238-E1242 HydrophobicContact CB-CB 4.14Å; L1238-E1242 HydrophobicContact CD2-CB 4.03Å; S1239-E1242 WeakPolarHBondContact CB-OE2 3.44Å; S1239-E1242 PolarHBondContact N-OE2 2.9Å; S1239-E1242 PolarHBondContact O-N 2.9Å; S1239-E1242 VanDerWaalsContact OG-CD 3.31Å; S1239-E1242 WeakPolarHBondContact OG-CG 3.49Å; S1239-E1242 PolarHBondContact OG-N 3.17Å; S1239-E1242 PolarHBondContact OG-OE2 2.99Å; E1242-K1246 WeakPolarHBondContact O-CG 3.33Å; E1242-K1246 PolarHBondContact O-N 3.23Å; E1242-K1246 VanDerWaalsContact O-N 3.08Å
1243	Y	72.4	Confident	69.6	Low	2 Å²	2	78.8 Å²	78.8	1%	0.008	42%	0.422	C	S	.	.	H	α-helix	trans	-74.1	-41.5	167.7	-82.8	-77.8	0	0	0	112.4	L1230 I1231 Y1234 L1238 S1239 T1240 A1241 E1245 K1246 L1247 L1276 R1280	L1230-Y1243 HydrophobicContact CB-CE1 4.18Å; L1230-Y1243 PolarHBondContact O-OH 3.06Å; I1231-Y1243 WeakPolarHBondContact CA-OH 3.29Å; I1231-Y1243 HydrophobicContact CG1-CE1 4.45Å; Y1234-Y1243 WeakPolarHBondContact CB-OH 3.45Å; L1238-Y1243 HydrophobicContact CB-CD2 3.74Å; L1238-Y1243 HydrophobicContact CB-CE2 3.51Å; L1238-Y1243 HydrophobicContact CB-CG 4.45Å; L1238-Y1243 HydrophobicContact CD1-CD1 4.37Å; L1238-Y1243 HydrophobicContact CD1-CE1 4.08Å; L1238-Y1243 HydrophobicContact CD1-CE2 4.34Å; L1238-Y1243 WeakPolarHBondContact O-CE2 3.47Å; S1239-Y1243 VanDerWaalsContact O-CD2 3.31Å; S1239-Y1243 WeakPolarHBondContact O-CD2 3.26Å; S1239-Y1243 PolarHBondContact O-N 2.92Å; S1239-Y1243 VanDerWaalsContact O-N 3.11Å; T1240-Y1243 PolarHBondContact O-N 2.72Å; A1241-Y1243 VanDerWaalsContact C-N 3.32Å; A1241-Y1243 PolarHBondContact O-N 3.4Å; Y1243-E1245 VanDerWaalsContact C-N 3.3Å; Y1243-E1245 PolarHBondContact O-N 3.48Å; Y1243-K1246 PolarHBondContact O-N 3.08Å; Y1243-L1247 WeakPolarHBondContact O-CG 3.33Å; Y1243-L1247 PolarHBondContact O-N 2.74Å; Y1243-L1276 HydrophobicContact CD1-CD1 3.95Å; Y1243-L1276 HydrophobicContact CG-CD1 3.94Å; Y1243-R1280 VanDerWaalsContact CE2-CZ 3.44Å
1244	E	75.4	Confident	69.3	Low	52 Å²	52	72.3 Å²	72.3	24%	0.243	39%	0.392	C	S	.	.	H	α-helix	trans	-59.7	-43.1	172.6	-71	178	143.2	0	0	110.6	T1240 A1241 K1246 L1247 L1248 K1277	T1240-E1244 WeakPolarHBondContact O-CG 3.44Å; T1240-E1244 PolarHBondContact O-N 3.17Å; A1241-E1244 PolarHBondContact O-N 3.06Å; E1244-K1246 PolarHBondContact O-N 3.34Å; E1244-L1247 PolarHBondContact O-N 3.28Å; E1244-L1248 WeakPolarHBondContact O-CB 3.38Å; E1244-L1248 VanDerWaalsContact O-CG 3.25Å; E1244-L1248 WeakPolarHBondContact O-CG 3.18Å; E1244-L1248 PolarHBondContact O-N 3.36Å; E1244-K1277 WeakPolarHBondContact OE1-CE 3.43Å; E1244-K1277 IonicContact OE1-NZ 3.83Å; E1244-K1277 PolarHBondContact OE1-NZ 2.92Å
1245	E	77.5	Confident	69.4	Low	139 Å²	139	73.9 Å²	73.9	65%	0.65	40%	0.4	S	S	*	.	H	α-helix	trans	-64.7	-36.8	176.2	-170.6	169.1	-152.1	0	0	112.6	A1241 Y1243 A1249	A1241-E1245 WeakPolarHBondContact O-CB 3.28Å; A1241-E1245 PolarHBondContact O-N 3.27Å; Y1243-E1245 VanDerWaalsContact C-N 3.3Å; Y1243-E1245 PolarHBondContact O-N 3.48Å; E1245-A1249 WeakPolarHBondContact O-CB 3.37Å; E1245-A1249 PolarHBondContact O-N 2.56Å
1246	K	73.3	Confident	70.3	Confident	64 Å²	64	71.1 Å²	71.1	28%	0.278	39%	0.39	S	S	.	.	H	α-helix	trans	-68.7	-44.9	173.2	-80.5	-167.7	179.5	-168.9	0	113.4	Y1234 L1238 E1242 Y1243 E1244 L1248 A1249 D1250	Y1234-K1246 PolarHBondContact OH-NZ 3.4Å; L1238-K1246 HydrophobicContact CD1-CD 3.93Å; E1242-K1246 WeakPolarHBondContact O-CG 3.33Å; E1242-K1246 PolarHBondContact O-N 3.23Å; E1242-K1246 VanDerWaalsContact O-N 3.08Å; Y1243-K1246 PolarHBondContact O-N 3.08Å; E1244-K1246 PolarHBondContact O-N 3.34Å; K1246-L1248 PolarHBondContact O-N 3.02Å; K1246-A1249 WeakPolarHBondContact O-CA 3.12Å; K1246-A1249 WeakPolarHBondContact O-CB 3.17Å; K1246-A1249 PolarHBondContact O-N 2.76Å; K1246-D1250 PolarHBondContact O-N 3.48Å
1247	L	69.6	Low	70.4	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-60.7	-37	175.2	-71.4	173	0	0	0	111.3	L1230 Y1243 E1244 A1249 D1250 L1254 M1272 L1276	L1230-L1247 HydrophobicContact CD1-CD2 4.26Å; Y1243-L1247 WeakPolarHBondContact O-CG 3.33Å; Y1243-L1247 PolarHBondContact O-N 2.74Å; E1244-L1247 PolarHBondContact O-N 3.28Å; L1247-A1249 VanDerWaalsContact C-N 3.34Å; L1247-D1250 PolarHBondContact O-N 3.18Å; L1247-L1254 WeakPolarHBondContact O-CD1 3.2Å; L1247-M1272 HydrophobicContact CD1-CB 4.29Å; L1247-M1272 HydrophobicContact CD2-CE 3.77Å; L1247-M1272 HydrophobicContact CD2-SD 4.42Å; L1247-L1276 HydrophobicContact CD1-CD1 3.85Å
1248	L	70.4	Confident	70.8	Confident	74 Å²	74	62.6 Å²	62.6	39%	0.387	34%	0.337	S	S	.	.	H	α-helix	trans	-71.5	-24	172.7	-70.3	169.7	0	0	0	113.8	E1244 K1246 R1251	E1244-L1248 WeakPolarHBondContact O-CB 3.38Å; E1244-L1248 VanDerWaalsContact O-CG 3.25Å; E1244-L1248 WeakPolarHBondContact O-CG 3.18Å; E1244-L1248 PolarHBondContact O-N 3.36Å; K1246-L1248 PolarHBondContact O-N 3.02Å; L1248-R1251 WeakPolarHBondContact O-CD 3.17Å; L1248-R1251 VanDerWaalsContact O-CG 3.31Å; L1248-R1251 WeakPolarHBondContact O-CG 3.22Å
1249	A	72.6	Confident	70.9	Confident	76 Å²	76	66.8 Å²	66.8	63%	0.628	36%	0.36	S	S	*	.	H	α-helix	trans	-77.8	-36.2	172.9	0	0	0	0	0	112	E1245 K1246 L1247 R1251	E1245-A1249 WeakPolarHBondContact O-CB 3.37Å; E1245-A1249 PolarHBondContact O-N 2.56Å; K1246-A1249 WeakPolarHBondContact O-CA 3.12Å; K1246-A1249 WeakPolarHBondContact O-CB 3.17Å; K1246-A1249 PolarHBondContact O-N 2.76Å; L1247-A1249 VanDerWaalsContact C-N 3.34Å; A1249-R1251 PolarHBondContact O-N 2.84Å
1250	D	68.9	Low	70.6	Confident	58 Å²	58	69.4 Å²	69.4	31%	0.31	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	22	176.8	-74.8	-25.2	0	0	0	113.9	Y1226 K1246 L1247 A1252 H1253 L1254	Y1226-D1250 PolarHBondContact OH-OD2 3.3Å; K1246-D1250 PolarHBondContact O-N 3.48Å; L1247-D1250 PolarHBondContact O-N 3.18Å; D1250-A1252 PolarHBondContact O-N 3.05Å; D1250-H1253 HydrophobicContact CB-CB 4.39Å; D1250-H1253 WeakPolarHBondContact O-CA 3.25Å; D1250-H1253 VanDerWaalsContact O-CB 3.31Å; D1250-H1253 WeakPolarHBondContact O-CB 3.25Å; D1250-H1253 PolarHBondContact O-N 2.59Å; D1250-L1254 PolarHBondContact O-N 3.4Å
1251	R	68.4	Low	70.2	Confident	134 Å²	134	68.5 Å²	68.5	51%	0.506	36%	0.355	S	S	.	.	H	α-helix	trans	-53.5	-20.2	175.5	-92.7	177.2	166.6	173.2	-0.5	115.3	L1248 A1249 K1255 E1269	L1248-R1251 WeakPolarHBondContact O-CD 3.17Å; L1248-R1251 VanDerWaalsContact O-CG 3.31Å; L1248-R1251 WeakPolarHBondContact O-CG 3.22Å; A1249-R1251 PolarHBondContact O-N 2.84Å; R1251-K1255 WeakPolarHBondContact O-CB 3.32Å; R1251-K1255 PolarHBondContact O-N 2.76Å; R1251-E1269 IonicContact CZ-OE1 3.31Å; R1251-E1269 VanDerWaalsContact CZ-OE1 3.31Å; R1251-E1269 IonicContact CZ-OE2 3.83Å; R1251-E1269 IonicContact NE-OE1 2.7Å; R1251-E1269 PolarHBondContact NE-OE1 2.8Å; R1251-E1269 IonicContact NE-OE2 3.94Å; R1251-E1269 IonicContact NH2-OE1 3.05Å; R1251-E1269 PolarHBondContact NH2-OE1 3.32Å; R1251-E1269 IonicContact NH2-OE2 2.85Å; R1251-E1269 PolarHBondContact NH2-OE2 3.24Å
1252	A	67.5	Low	69.5	Low	84 Å²	84	76.3 Å²	76.3	69%	0.694	37%	0.373	S	S	*	.	H	α-helix	trans	-68.8	-42.8	169.2	0	0	0	0	0	112.2	D1250 H1256	D1250-A1252 PolarHBondContact O-N 3.05Å; A1252-H1256 PolarHBondContact O-N 3.13Å
1253	H	68.8	Low	69	Low	77 Å²	77	73.6 Å²	73.6	36%	0.356	36%	0.361	S	S	.	.	H	α-helix	trans	-68.1	-48.7	174.7	-167.8	-108.1	0	0	0	110.8	E1223 D1250 K1255 H1256 L1257	E1223-H1253 IonicContact OE1-CE1 2.67Å; D1250-H1253 HydrophobicContact CB-CB 4.39Å; D1250-H1253 WeakPolarHBondContact O-CA 3.25Å; D1250-H1253 VanDerWaalsContact O-CB 3.31Å; D1250-H1253 WeakPolarHBondContact O-CB 3.25Å; D1250-H1253 PolarHBondContact O-N 2.59Å; H1253-K1255 VanDerWaalsContact C-N 3.25Å; H1253-K1255 PolarHBondContact O-N 2.81Å; H1253-H1256 WeakPolarHBondContact O-CB 3.38Å; H1253-H1256 PolarHBondContact O-N 3.05Å; H1253-L1257 WeakPolarHBondContact O-CG 3.34Å; H1253-L1257 PolarHBondContact O-N 2.82Å
1254	L	67.8	Low	69	Low	2 Å²	2	77.1 Å²	77.1	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-36.3	178.7	-54.6	-170.6	0	0	0	112.4	L1247 D1250 L1257 A1258 V1265 I1268 E1269 M1272	L1247-L1254 WeakPolarHBondContact O-CD1 3.2Å; D1250-L1254 PolarHBondContact O-N 3.4Å; L1254-L1257 HydrophobicContact CD2-CD1 4.44Å; L1254-A1258 WeakPolarHBondContact O-CB 3.22Å; L1254-A1258 PolarHBondContact O-N 2.74Å; L1254-V1265 HydrophobicContact CB-CG1 4.25Å; L1254-I1268 HydrophobicContact CD2-CG2 4.04Å; L1254-E1269 HydrophobicContact CD1-CG 3.56Å; L1254-M1272 HydrophobicContact CD2-CE 4.45Å; L1254-M1272 HydrophobicContact CD2-SD 3.43Å; L1254-M1272 WeakPolarHBondContact CD2-SD 3.5Å
1255	K	73.9	Confident	68.8	Low	118 Å²	118	76.3 Å²	76.3	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-70.5	-39.7	173.6	-173.3	174.5	178	-173.9	0	112.5	R1251 H1253 L1257 A1258 D1259 V1265	R1251-K1255 WeakPolarHBondContact O-CB 3.32Å; R1251-K1255 PolarHBondContact O-N 2.76Å; H1253-K1255 VanDerWaalsContact C-N 3.25Å; H1253-K1255 PolarHBondContact O-N 2.81Å; K1255-L1257 VanDerWaalsContact C-N 3.33Å; K1255-L1257 PolarHBondContact O-N 3.4Å; K1255-A1258 PolarHBondContact O-N 2.91Å; K1255-D1259 VanDerWaalsContact CE-OD2 3.26Å; K1255-D1259 WeakPolarHBondContact CE-OD2 3.38Å; K1255-D1259 WeakPolarHBondContact O-CB 3.48Å; K1255-D1259 PolarHBondContact O-N 3.08Å; K1255-V1265 HydrophobicContact CB-CG2 4.48Å
1256	H	70.8	Confident	68.5	Low	121 Å²	121	75.7 Å²	75.7	56%	0.56	38%	0.375	S	S	*	.	H	α-helix	trans	-60.6	-43.7	174.4	-165.3	-70.6	0	0	0	111.3	A1252 H1253 D1259 Q1260	A1252-H1256 PolarHBondContact O-N 3.13Å; H1253-H1256 WeakPolarHBondContact O-CB 3.38Å; H1253-H1256 PolarHBondContact O-N 3.05Å; H1256-D1259 PolarHBondContact O-N 3.21Å; H1256-Q1260 PolarHBondContact CE1-OE1 3.43Å; H1256-Q1260 PolarHBondContact ND1-OE1 2.93Å; H1256-Q1260 WeakPolarHBondContact O-CB 3.46Å; H1256-Q1260 PolarHBondContact O-N 3.37Å
1257	L	63.1	Low	68.2	Low	10 Å²	10	78 Å²	78	5%	0.052	39%	0.387	C	S	.	.	H	α-helix	trans	-61.7	-44.2	174.4	-67.9	168.9	0	0	0	112.2	E1223 H1253 L1254 K1255 Q1260 Y1261 I1268	E1223-L1257 HydrophobicContact CG-CD1 4.29Å; E1223-L1257 WeakPolarHBondContact OE1-CD1 3.49Å; E1223-L1257 WeakPolarHBondContact OE1-CD2 3.39Å; H1253-L1257 WeakPolarHBondContact O-CG 3.34Å; H1253-L1257 PolarHBondContact O-N 2.82Å; L1254-L1257 HydrophobicContact CD2-CD1 4.44Å; K1255-L1257 VanDerWaalsContact C-N 3.33Å; K1255-L1257 PolarHBondContact O-N 3.4Å; L1257-Q1260 PolarHBondContact O-N 3.13Å; L1257-Y1261 HydrophobicContact CD2-CD2 4.32Å; L1257-Y1261 HydrophobicContact CD2-CE2 3.92Å; L1257-Y1261 WeakPolarHBondContact O-CD2 3.44Å; L1257-Y1261 PolarHBondContact O-N 2.98Å; L1257-I1268 HydrophobicContact CB-CD1 3.93Å
1258	A	69.2	Low	68.1	Low	6 Å²	6	77.8 Å²	77.8	5%	0.05	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-46.8	176.5	0	0	0	0	0	112.7	L1254 K1255 Q1260 R1262 I1263 V1265 I1268	L1254-A1258 WeakPolarHBondContact O-CB 3.22Å; L1254-A1258 PolarHBondContact O-N 2.74Å; K1255-A1258 PolarHBondContact O-N 2.91Å; A1258-Q1260 VanDerWaalsContact C-N 3.31Å; A1258-Q1260 PolarHBondContact O-N 3.07Å; A1258-R1262 WeakPolarHBondContact O-CA 3.46Å; A1258-R1262 PolarHBondContact O-N 2.83Å; A1258-I1263 WeakPolarHBondContact CA-O 3.17Å; A1258-I1263 WeakPolarHBondContact CB-O 3.33Å; A1258-I1263 PolarHBondContact O-N 3.03Å; A1258-V1265 HydrophobicContact CB-CB 4.33Å; A1258-V1265 HydrophobicContact CB-CG2 3.4Å; A1258-I1268 HydrophobicContact CB-CD1 4.09Å
1259	D	71.4	Confident	68.3	Low	114 Å²	114	75.5 Å²	75.5	61%	0.61	37%	0.373	S	S	*	.	H	α-helix	trans	-67.3	-32.3	177.9	-71.8	-26.4	0	0	0	111.4	K1255 H1256	K1255-D1259 VanDerWaalsContact CE-OD2 3.26Å; K1255-D1259 WeakPolarHBondContact CE-OD2 3.38Å; K1255-D1259 WeakPolarHBondContact O-CB 3.48Å; K1255-D1259 PolarHBondContact O-N 3.08Å; H1256-D1259 PolarHBondContact O-N 3.21Å
1260	Q	66	Low	68.4	Low	108 Å²	108	78.9 Å²	78.9	51%	0.505	38%	0.376	S	S	.	.	H	α-helix	trans	-75.9	-49	179.4	179.5	172.1	-10.8	0	0	113.4	H1256 L1257 A1258	H1256-Q1260 PolarHBondContact CE1-OE1 3.43Å; H1256-Q1260 PolarHBondContact ND1-OE1 2.93Å; H1256-Q1260 WeakPolarHBondContact O-CB 3.46Å; H1256-Q1260 PolarHBondContact O-N 3.37Å; L1257-Q1260 PolarHBondContact O-N 3.13Å; A1258-Q1260 VanDerWaalsContact C-N 3.31Å; A1258-Q1260 PolarHBondContact O-N 3.07Å
1261	Y	58.4	Low	68.8	Low	52 Å²	52	79.2 Å²	79.2	20%	0.204	37%	0.373	C	S	.	.	H	α-helix	trans	-95.7	2	-178	-64.4	-73.8	0	0	0	113.9	W1219 L1257 I1263	W1219-Y1261 HydrophobicContact CB-CE1 4.2Å; W1219-Y1261 HydrophobicContact CB-CE2 4.23Å; W1219-Y1261 AromaticContact CD1-CD2 3.72Å; W1219-Y1261 AromaticContact CD1-CE2 3.48Å; W1219-Y1261 VanDerWaalsContact CD1-CE2 3.48Å; W1219-Y1261 HydrophobicContact CG-CD2 4.14Å; W1219-Y1261 HydrophobicContact CG-CE2 4.04Å; L1257-Y1261 HydrophobicContact CD2-CD2 4.32Å; L1257-Y1261 HydrophobicContact CD2-CE2 3.92Å; L1257-Y1261 WeakPolarHBondContact O-CD2 3.44Å; L1257-Y1261 PolarHBondContact O-N 2.98Å; Y1261-I1263 PolarHBondContact O-N 2.98Å
1262	R	60	Low	69	Low	220 Å²	220	72.9 Å²	72.9	83%	0.83	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	28.1	-178.2	-54.6	178.9	178.4	165.6	4.5	114.6	A1258	A1258-R1262 WeakPolarHBondContact O-CA 3.46Å; A1258-R1262 PolarHBondContact O-N 2.83Å
1263	I	63.9	Low	69.3	Low	29 Å²	29	70.7 Å²	70.7	15%	0.149	33%	0.325	C	S	.	.			trans	-93.9	148.1	177	-54.1	168.8	0	0	0	108.6	L1216 W1219 A1258 Y1261 Q1267 I1268	L1216-I1263 HydrophobicContact CD2-CD1 3.56Å; L1216-I1263 HydrophobicContact CD2-CG1 4.38Å; W1219-I1263 HydrophobicContact CD2-CD1 4.23Å; W1219-I1263 HydrophobicContact CE3-CD1 3.99Å; W1219-I1263 HydrophobicContact CH2-CD1 4.08Å; W1219-I1263 HydrophobicContact CZ2-CD1 4.3Å; W1219-I1263 HydrophobicContact CZ3-CD1 3.91Å; A1258-I1263 WeakPolarHBondContact CA-O 3.17Å; A1258-I1263 WeakPolarHBondContact CB-O 3.33Å; A1258-I1263 PolarHBondContact O-N 3.03Å; Y1261-I1263 PolarHBondContact O-N 2.98Å; I1263-Q1267 HydrophobicContact CG2-CB 4.11Å; I1263-I1268 HydrophobicContact CB-CD1 4.24Å; I1263-I1268 HydrophobicContact CB-CG1 4.29Å; I1263-I1268 HydrophobicContact CG2-CD1 4.38Å; I1263-I1268 HydrophobicContact CG2-CG1 3.87Å
1264	N	73	Confident	69.5	Low	75 Å²	75	69.6 Å²	69.6	40%	0.401	33%	0.33	S	S	.	.			trans	-69.1	135	173.7	-176.4	14.5	0	0	0	110.7	E1266 Q1267 I1268	N1264-E1266 PolarHBondContact ND2-OE2 2.69Å; N1264-E1266 PolarHBondContact O-N 3.07Å; N1264-E1266 VanDerWaalsContact O-N 3.16Å; N1264-Q1267 HydrophobicContact CB-CG 4.15Å; N1264-Q1267 WeakPolarHBondContact O-CB 3.3Å; N1264-Q1267 PolarHBondContact O-N 3.44Å; N1264-I1268 PolarHBondContact O-N 2.72Å
1265	V	70.8	Confident	69.7	Low	36 Å²	36	70.3 Å²	70.3	22%	0.218	33%	0.333	C	S	.	.	H	α-helix	trans	-52	-40.2	178.4	-179.4	0	0	0	0	111.4	L1254 K1255 A1258 Q1267 I1268 E1269	L1254-V1265 HydrophobicContact CB-CG1 4.25Å; K1255-V1265 HydrophobicContact CB-CG2 4.48Å; A1258-V1265 HydrophobicContact CB-CB 4.33Å; A1258-V1265 HydrophobicContact CB-CG2 3.4Å; V1265-Q1267 VanDerWaalsContact C-N 3.29Å; V1265-Q1267 PolarHBondContact O-N 2.61Å; V1265-I1268 WeakPolarHBondContact O-CB 3.43Å; V1265-I1268 PolarHBondContact O-N 2.88Å; V1265-I1268 VanDerWaalsContact O-N 3.12Å; V1265-E1269 HydrophobicContact CG1-CG 4.33Å; V1265-E1269 PolarHBondContact O-N 3.27Å
1266	E	70.8	Confident	69.7	Low	126 Å²	126	64.7 Å²	64.7	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-62.2	-35	179.7	-59.9	170	138.9	0	0	112.2	N1264 E1269 E1270	N1264-E1266 PolarHBondContact ND2-OE2 2.69Å; N1264-E1266 PolarHBondContact O-N 3.07Å; N1264-E1266 VanDerWaalsContact O-N 3.16Å; E1266-E1269 PolarHBondContact O-N 3.22Å; E1266-E1270 WeakPolarHBondContact O-CB 3.32Å; E1266-E1270 WeakPolarHBondContact O-CG 3.18Å; E1266-E1270 PolarHBondContact O-N 3.42Å
1267	Q	68.3	Low	69.7	Low	113 Å²	113	64.2 Å²	64.2	53%	0.528	31%	0.305	S	S	.	.	H	α-helix	trans	-73.3	-29.6	177.1	-65.7	173.4	-35.1	0	0	111.9	I1263 N1264 V1265 W1271	I1263-Q1267 HydrophobicContact CG2-CB 4.11Å; N1264-Q1267 HydrophobicContact CB-CG 4.15Å; N1264-Q1267 WeakPolarHBondContact O-CB 3.3Å; N1264-Q1267 PolarHBondContact O-N 3.44Å; V1265-Q1267 VanDerWaalsContact C-N 3.29Å; V1265-Q1267 PolarHBondContact O-N 2.61Å; Q1267-W1271 VanDerWaalsContact O-CB 3.3Å; Q1267-W1271 WeakPolarHBondContact O-CB 3.27Å; Q1267-W1271 PolarHBondContact O-N 3.27Å; Q1267-W1271 VanDerWaalsContact O-N 3.11Å
1268	I	67.5	Low	70	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-72.2	-47	171.5	-58.7	-176.2	0	0	0	110	W1219 L1254 L1257 A1258 I1263 N1264 V1265 E1270 W1271 M1272	W1219-I1268 HydrophobicContact CH2-CG1 4.21Å; W1219-I1268 HydrophobicContact CZ2-CB 4.4Å; W1219-I1268 HydrophobicContact CZ2-CD1 4.09Å; W1219-I1268 HydrophobicContact CZ2-CG1 3.8Å; W1219-I1268 HydrophobicContact CZ2-CG2 4.07Å; L1254-I1268 HydrophobicContact CD2-CG2 4.04Å; L1257-I1268 HydrophobicContact CB-CD1 3.93Å; A1258-I1268 HydrophobicContact CB-CD1 4.09Å; I1263-I1268 HydrophobicContact CB-CD1 4.24Å; I1263-I1268 HydrophobicContact CB-CG1 4.29Å; I1263-I1268 HydrophobicContact CG2-CD1 4.38Å; I1263-I1268 HydrophobicContact CG2-CG1 3.87Å; N1264-I1268 PolarHBondContact O-N 2.72Å; V1265-I1268 WeakPolarHBondContact O-CB 3.43Å; V1265-I1268 PolarHBondContact O-N 2.88Å; V1265-I1268 VanDerWaalsContact O-N 3.12Å; I1268-E1270 PolarHBondContact O-N 2.94Å; I1268-W1271 PolarHBondContact O-N 2.98Å; I1268-M1272 HydrophobicContact CG2-CG 4.17Å; I1268-M1272 HydrophobicContact CG2-SD 3.84Å; I1268-M1272 WeakPolarHBondContact O-CB 3.28Å; I1268-M1272 WeakPolarHBondContact O-CG 3.43Å; I1268-M1272 PolarHBondContact O-N 3.34Å
1269	E	73.6	Confident	69.9	Low	26 Å²	26	73 Å²	73	12%	0.121	34%	0.34	C	S	.	.	H	α-helix	trans	-55.2	-48.9	175.5	-76.3	-177.6	-174.2	0	0	111	R1251 L1254 V1265 E1266 I1273	R1251-E1269 IonicContact CZ-OE1 3.31Å; R1251-E1269 VanDerWaalsContact CZ-OE1 3.31Å; R1251-E1269 IonicContact CZ-OE2 3.83Å; R1251-E1269 IonicContact NE-OE1 2.7Å; R1251-E1269 PolarHBondContact NE-OE1 2.8Å; R1251-E1269 IonicContact NE-OE2 3.94Å; R1251-E1269 IonicContact NH2-OE1 3.05Å; R1251-E1269 PolarHBondContact NH2-OE1 3.32Å; R1251-E1269 IonicContact NH2-OE2 2.85Å; R1251-E1269 PolarHBondContact NH2-OE2 3.24Å; L1254-E1269 HydrophobicContact CD1-CG 3.56Å; V1265-E1269 HydrophobicContact CG1-CG 4.33Å; V1265-E1269 PolarHBondContact O-N 3.27Å; E1266-E1269 PolarHBondContact O-N 3.22Å; E1269-I1273 WeakPolarHBondContact O-CB 3.35Å; E1269-I1273 WeakPolarHBondContact O-CD1 3.34Å; E1269-I1273 WeakPolarHBondContact O-CG1 3.21Å; E1269-I1273 PolarHBondContact O-N 2.8Å; E1269-I1273 VanDerWaalsContact O-N 3.08Å
1270	E	75.2	Confident	69.6	Low	147 Å²	147	70.5 Å²	70.5	69%	0.687	32%	0.322	S	S	*	.	H	α-helix	trans	-62.4	-44.8	176.7	-75	-172.9	158.5	0	0	113	E1266 I1268 A1274	E1266-E1270 WeakPolarHBondContact O-CB 3.32Å; E1266-E1270 WeakPolarHBondContact O-CG 3.18Å; E1266-E1270 PolarHBondContact O-N 3.42Å; I1268-E1270 PolarHBondContact O-N 2.94Å; E1270-A1274 WeakPolarHBondContact O-CB 3Å; E1270-A1274 PolarHBondContact O-N 3.39Å
1271	W	77.1	Confident	69	Low	65 Å²	65	67.2 Å²	67.2	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-44.4	-179	-177	87.7	0	0	0	112.5	W1219 Q1220 E1223 R1224 Q1267 I1268 A1274 E1275	W1219-W1271 HydrophobicContact CH2-CD2 4.48Å; W1219-W1271 HydrophobicContact CH2-CE3 4.38Å; Q1220-W1271 HydrophobicContact CB-CH2 4.22Å; Q1220-W1271 HydrophobicContact CB-CZ2 3.93Å; Q1220-W1271 HydrophobicContact CG-CH2 4.27Å; Q1220-W1271 HydrophobicContact CG-CZ2 3.74Å; E1223-W1271 HydrophobicContact CB-CH2 4.39Å; E1223-W1271 HydrophobicContact CB-CZ3 3.85Å; R1224-W1271 HydrophobicContact CB-CH2 4.32Å; Q1267-W1271 VanDerWaalsContact O-CB 3.3Å; Q1267-W1271 WeakPolarHBondContact O-CB 3.27Å; Q1267-W1271 PolarHBondContact O-N 3.27Å; Q1267-W1271 VanDerWaalsContact O-N 3.11Å; I1268-W1271 PolarHBondContact O-N 2.98Å; W1271-A1274 PolarHBondContact O-N 3.14Å; W1271-E1275 PolarHBondContact O-N 2.88Å
1272	M	72.5	Confident	68.5	Low	2 Å²	2	68 Å²	68	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-67.1	-38.1	178.7	-66.9	-174.2	85.8	0	0	111.9	E1223 Y1226 I1227 L1247 L1254 I1268 A1274 L1276	E1223-M1272 VanDerWaalsContact OE2-CE 3.3Å; E1223-M1272 WeakPolarHBondContact OE2-CE 3.44Å; Y1226-M1272 HydrophobicContact CD1-CE 3.98Å; Y1226-M1272 HydrophobicContact CE1-CE 4.36Å; I1227-M1272 HydrophobicContact CD1-CB 4.11Å; I1227-M1272 HydrophobicContact CD1-CE 4.03Å; I1227-M1272 HydrophobicContact CD1-CG 4.22Å; I1227-M1272 HydrophobicContact CG1-CE 3.92Å; L1247-M1272 HydrophobicContact CD1-CB 4.29Å; L1247-M1272 HydrophobicContact CD2-CE 3.77Å; L1247-M1272 HydrophobicContact CD2-SD 4.42Å; L1254-M1272 HydrophobicContact CD2-CE 4.45Å; L1254-M1272 HydrophobicContact CD2-SD 3.43Å; L1254-M1272 WeakPolarHBondContact CD2-SD 3.5Å; I1268-M1272 HydrophobicContact CG2-CG 4.17Å; I1268-M1272 HydrophobicContact CG2-SD 3.84Å; I1268-M1272 WeakPolarHBondContact O-CB 3.28Å; I1268-M1272 WeakPolarHBondContact O-CG 3.43Å; I1268-M1272 PolarHBondContact O-N 3.34Å; M1272-A1274 VanDerWaalsContact C-N 3.34Å; M1272-L1276 VanDerWaalsContact O-CB 3.23Å; M1272-L1276 WeakPolarHBondContact O-CB 3.32Å; M1272-L1276 PolarHBondContact O-N 2.91Å
1273	I	73.1	Confident	68.1	Low	37 Å²	37	61.9 Å²	61.9	19%	0.19	32%	0.318	C	S	.	.	H	α-helix	trans	-66.3	-37.4	174.5	-70.5	169.5	0	0	0	111	E1269 K1277	E1269-I1273 WeakPolarHBondContact O-CB 3.35Å; E1269-I1273 WeakPolarHBondContact O-CD1 3.34Å; E1269-I1273 WeakPolarHBondContact O-CG1 3.21Å; E1269-I1273 PolarHBondContact O-N 2.8Å; E1269-I1273 VanDerWaalsContact O-N 3.08Å; I1273-K1277 HydrophobicContact CG2-CD 4.11Å; I1273-K1277 WeakPolarHBondContact O-CB 3.12Å; I1273-K1277 WeakPolarHBondContact O-CG 3.24Å; I1273-K1277 PolarHBondContact O-N 2.94Å
1274	A	72.9	Confident	67.3	Low	55 Å²	55	66.5 Å²	66.5	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-47.3	175.2	0	0	0	0	0	112.3	E1270 W1271 M1272 K1277 R1278	E1270-A1274 WeakPolarHBondContact O-CB 3Å; E1270-A1274 PolarHBondContact O-N 3.39Å; W1271-A1274 PolarHBondContact O-N 3.14Å; M1272-A1274 VanDerWaalsContact C-N 3.34Å; A1274-K1277 PolarHBondContact O-N 3.04Å; A1274-R1278 WeakPolarHBondContact O-CB 3.34Å; A1274-R1278 PolarHBondContact O-N 2.76Å
1275	E	72.6	Confident	66.5	Low	16 Å²	16	69.2 Å²	69.2	8%	0.075	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-37.3	177.8	-178	61.9	-173.2	0	0	111.5	R1224 I1227 W1271 K1277 R1278 L1279	R1224-E1275 WeakPolarHBondContact CD-OE1 3.45Å; R1224-E1275 HydrophobicContact CG-CG 4.29Å; R1224-E1275 WeakPolarHBondContact CG-OE1 3.36Å; R1224-E1275 IonicContact CZ-OE1 2.67Å; R1224-E1275 IonicContact NE-OE1 3.73Å; R1224-E1275 PolarHBondContact NE-OE1 2.77Å; R1224-E1275 IonicContact NH2-OE1 2.74Å; I1227-E1275 HydrophobicContact CD1-CB 4.22Å; I1227-E1275 HydrophobicContact CD1-CG 4.21Å; W1271-E1275 PolarHBondContact O-N 2.88Å; E1275-K1277 PolarHBondContact O-N 3.38Å; E1275-R1278 VanDerWaalsContact CD-NH2 3.29Å; E1275-R1278 PolarHBondContact O-N 3.43Å; E1275-R1278 IonicContact OE1-CZ 2.73Å; E1275-R1278 IonicContact OE1-NE 2.71Å; E1275-R1278 IonicContact OE1-NH2 3.94Å; E1275-R1278 PolarHBondContact OE1-NH2 2.74Å; E1275-R1278 IonicContact OE2-CZ 3.86Å; E1275-R1278 VanDerWaalsContact OE2-CZ 3.27Å; E1275-R1278 IonicContact OE2-NE 4Å; E1275-R1278 PolarHBondContact OE2-NE 2.69Å; E1275-R1278 IonicContact OE2-NH2 2.7Å; E1275-R1278 PolarHBondContact OE2-NH2 2.87Å; E1275-L1279 HydrophobicContact CG-CD1 3.86Å; E1275-L1279 HydrophobicContact CG-CG 4.29Å; E1275-L1279 WeakPolarHBondContact O-CB 3.35Å; E1275-L1279 VanDerWaalsContact O-CG 3.28Å; E1275-L1279 WeakPolarHBondContact O-CG 3.46Å; E1275-L1279 PolarHBondContact O-N 3.24Å
1276	L	73.2	Confident	65.8	Low	1 Å²	1	70.2 Å²	70.2	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-65.6	-37.4	174.7	-171.3	137.9	0	0	0	112.4	I1227 Y1243 L1247 M1272 L1279 R1280	I1227-L1276 HydrophobicContact CG2-CB 4.29Å; I1227-L1276 HydrophobicContact CG2-CD1 4.18Å; I1227-L1276 HydrophobicContact CG2-CG 4.45Å; Y1243-L1276 HydrophobicContact CD1-CD1 3.95Å; Y1243-L1276 HydrophobicContact CG-CD1 3.94Å; L1247-L1276 HydrophobicContact CD1-CD1 3.85Å; M1272-L1276 VanDerWaalsContact O-CB 3.23Å; M1272-L1276 WeakPolarHBondContact O-CB 3.32Å; M1272-L1276 PolarHBondContact O-N 2.91Å; L1276-L1279 PolarHBondContact O-N 3.03Å; L1276-R1280 PolarHBondContact O-N 2.89Å
1277	K	71.5	Confident	65	Low	110 Å²	110	69.2 Å²	69.2	48%	0.478	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-40.7	171	-79.2	165.9	178.7	150.4	0	111.6	E1244 I1273 A1274 E1275 R1280 G1281	E1244-K1277 WeakPolarHBondContact OE1-CE 3.43Å; E1244-K1277 IonicContact OE1-NZ 3.83Å; E1244-K1277 PolarHBondContact OE1-NZ 2.92Å; I1273-K1277 HydrophobicContact CG2-CD 4.11Å; I1273-K1277 WeakPolarHBondContact O-CB 3.12Å; I1273-K1277 WeakPolarHBondContact O-CG 3.24Å; I1273-K1277 PolarHBondContact O-N 2.94Å; A1274-K1277 PolarHBondContact O-N 3.04Å; E1275-K1277 PolarHBondContact O-N 3.38Å; K1277-R1280 PolarHBondContact O-N 2.82Å; K1277-G1281 PolarHBondContact O-N 3.42Å
1278	R	69.1	Low	64.9	Low	144 Å²	144	69.3 Å²	69.3	54%	0.543	35%	0.352	S	S	.	.	H	α-helix	trans	-65.9	-36.5	176.5	-159.7	-178.6	69.6	100.5	0.4	112.7	R1224 A1274 E1275	R1224-R1278 VanDerWaalsContact NH2-NH2 3.12Å; A1274-R1278 WeakPolarHBondContact O-CB 3.34Å; A1274-R1278 PolarHBondContact O-N 2.76Å; E1275-R1278 VanDerWaalsContact CD-NH2 3.29Å; E1275-R1278 PolarHBondContact O-N 3.43Å; E1275-R1278 IonicContact OE1-CZ 2.73Å; E1275-R1278 IonicContact OE1-NE 2.71Å; E1275-R1278 IonicContact OE1-NH2 3.94Å; E1275-R1278 PolarHBondContact OE1-NH2 2.74Å; E1275-R1278 IonicContact OE2-CZ 3.86Å; E1275-R1278 VanDerWaalsContact OE2-CZ 3.27Å; E1275-R1278 IonicContact OE2-NE 4Å; E1275-R1278 PolarHBondContact OE2-NE 2.69Å; E1275-R1278 IonicContact OE2-NH2 2.7Å; E1275-R1278 PolarHBondContact OE2-NH2 2.87Å
1279	L	66.6	Low	64.9	Low	58 Å²	58	71.4 Å²	71.4	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-79.1	-13.5	178.7	-70.3	171.3	0	0	0	114.3	I1227 I1231 E1275 L1276	I1227-L1279 HydrophobicContact CB-CD1 4.28Å; I1227-L1279 HydrophobicContact CG2-CD1 3.61Å; I1231-L1279 HydrophobicContact CD1-CB 3.9Å; I1231-L1279 HydrophobicContact CD1-CD1 4.28Å; E1275-L1279 HydrophobicContact CG-CD1 3.86Å; E1275-L1279 HydrophobicContact CG-CG 4.29Å; E1275-L1279 WeakPolarHBondContact O-CB 3.35Å; E1275-L1279 VanDerWaalsContact O-CG 3.28Å; E1275-L1279 WeakPolarHBondContact O-CG 3.46Å; E1275-L1279 PolarHBondContact O-N 3.24Å; L1276-L1279 PolarHBondContact O-N 3.03Å
1280	R	64.7	Low	64.5	Low	60 Å²	60	71.5 Å²	71.5	23%	0.226	37%	0.368	C	S	.	.	H	α-helix	trans	-119	3.6	177.7	-57.5	-168.7	91.1	-160	8.1	115	I1231 N1236 L1238 T1240 Y1243 L1276 K1277	I1231-R1280 HydrophobicContact CD1-CG 4.17Å; N1236-R1280 PolarHBondContact O-NH2 3.49Å; N1236-R1280 PolarHBondContact OD1-NE 3.18Å; N1236-R1280 PolarHBondContact OD1-NH2 3.44Å; L1238-R1280 PolarHBondContact O-NH1 2.8Å; L1238-R1280 PolarHBondContact O-NH2 2.73Å; T1240-R1280 HydrophobicContact CG2-CB 4.38Å; Y1243-R1280 VanDerWaalsContact CE2-CZ 3.44Å; L1276-R1280 PolarHBondContact O-N 2.89Å; K1277-R1280 PolarHBondContact O-N 2.82Å
1281	G	54.8	Low	64	Low	40 Å²	40	67.2 Å²	67.2	41%	0.412	35%	0.354	S	S	.	.	S	Bend	trans	-66.9	151.1	175.9	0	0	0	0	0	113.3	K1277 T1283	K1277-G1281 PolarHBondContact O-N 3.42Å; G1281-T1283 VanDerWaalsContact C-N 3.32Å; G1281-T1283 PolarHBondContact O-N 2.89Å
1282	S	46.8	Very low	63.9	Low	68 Å²	68	67.1 Å²	67.1	48%	0.476	37%	0.367	S	S	.	.			trans	-73	80	-179.9	46.5	0	0	0	0	112	E1284 E1285 T1286	S1282-E1284 PolarHBondContact O-N 3.39Å; S1282-E1285 PolarHBondContact O-N 3.44Å; S1282-E1285 PolarHBondContact OG-OE2 2.71Å; S1282-E1285 VanDerWaalsContact OG-OE2 3.06Å; S1282-T1286 PolarHBondContact O-N 3.34Å; S1282-T1286 PolarHBondContact O-OG1 3.27Å
1283	T	51.7	Low	64.2	Low	92 Å²	92	67.8 Å²	67.8	56%	0.564	37%	0.37	S	S	*	.	H	α-helix	trans	-47.4	-39.7	-174.6	51.4	0	0	0	0	113.7	G1281 E1285 T1286 L1287	G1281-T1283 VanDerWaalsContact C-N 3.32Å; G1281-T1283 PolarHBondContact O-N 2.89Å; T1283-E1285 PolarHBondContact O-N 3.37Å; T1283-T1286 VanDerWaalsContact CA-OG1 3.3Å; T1283-T1286 WeakPolarHBondContact CA-OG1 3.49Å; T1283-T1286 PolarHBondContact O-OG1 2.67Å; T1283-L1287 WeakPolarHBondContact O-CB 3.48Å; T1283-L1287 WeakPolarHBondContact O-CD1 3.3Å; T1283-L1287 WeakPolarHBondContact O-CG 3.26Å; T1283-L1287 PolarHBondContact O-N 2.86Å
1284	E	47	Very low	64.4	Low	125 Å²	125	68.9 Å²	68.9	58%	0.584	37%	0.374	S	S	*	.	H	α-helix	trans	-56.8	-44.3	175.8	-84.2	-142.4	105	0	0	114.4	S1282 K1288	S1282-E1284 PolarHBondContact O-N 3.39Å; E1284-K1288 VanDerWaalsContact O-CB 3.29Å; E1284-K1288 WeakPolarHBondContact O-CB 3.21Å; E1284-K1288 WeakPolarHBondContact O-CD 3.31Å; E1284-K1288 WeakPolarHBondContact O-CG 3.35Å; E1284-K1288 PolarHBondContact O-N 2.73Å; E1284-K1288 VanDerWaalsContact OE1-CE 3.29Å; E1284-K1288 WeakPolarHBondContact OE1-CE 3.21Å; E1284-K1288 IonicContact OE1-NZ 2.71Å; E1284-K1288 PolarHBondContact OE1-NZ 2.78Å; E1284-K1288 IonicContact OE2-NZ 3.23Å; E1284-K1288 PolarHBondContact OE2-NZ 2.86Å; E1284-K1288 VanDerWaalsContact OE2-NZ 3.1Å
1285	E	56.1	Low	64.5	Low	133 Å²	133	70.5 Å²	70.5	62%	0.621	38%	0.378	S	S	*	.	H	α-helix	trans	-77.1	-38.3	-176.3	-66.8	-177.2	128.9	0	0	111.1	S1282 T1283 S1289	S1282-E1285 PolarHBondContact O-N 3.44Å; S1282-E1285 PolarHBondContact OG-OE2 2.71Å; S1282-E1285 VanDerWaalsContact OG-OE2 3.06Å; T1283-E1285 PolarHBondContact O-N 3.37Å; E1285-S1289 WeakPolarHBondContact O-CB 3.44Å; E1285-S1289 PolarHBondContact O-N 2.76Å; E1285-S1289 PolarHBondContact O-OG 2.84Å
1286	T	56.3	Low	64.7	Low	57 Å²	57	72.5 Å²	72.5	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-39.8	170.9	49	0	0	0	0	111.7	S1282 T1283 S1289 L1290	S1282-T1286 PolarHBondContact O-N 3.34Å; S1282-T1286 PolarHBondContact O-OG1 3.27Å; T1283-T1286 VanDerWaalsContact CA-OG1 3.3Å; T1283-T1286 WeakPolarHBondContact CA-OG1 3.49Å; T1283-T1286 PolarHBondContact O-OG1 2.67Å; T1286-S1289 PolarHBondContact O-OG 2.83Å; T1286-L1290 WeakPolarHBondContact O-CB 3.33Å; T1286-L1290 PolarHBondContact O-N 2.93Å
1287	L	54.6	Low	64.7	Low	105 Å²	105	72.5 Å²	72.5	55%	0.55	39%	0.394	S	S	.	.	H	α-helix	trans	-73.5	-38.1	177.8	-73.3	168.2	0	0	0	112.9	T1283 S1291	T1283-L1287 WeakPolarHBondContact O-CB 3.48Å; T1283-L1287 WeakPolarHBondContact O-CD1 3.3Å; T1283-L1287 WeakPolarHBondContact O-CG 3.26Å; T1283-L1287 PolarHBondContact O-N 2.86Å; L1287-S1291 VanDerWaalsContact O-CB 3.31Å; L1287-S1291 WeakPolarHBondContact O-CB 3.29Å; L1287-S1291 PolarHBondContact O-N 3.02Å; L1287-S1291 PolarHBondContact O-OG 2.98Å
1288	K	67.3	Low	64.8	Low	115 Å²	115	69.7 Å²	69.7	50%	0.5	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-40.6	174.7	-74.7	163.3	-168.7	165.3	0	111.3	E1284 S1291 A1292	E1284-K1288 VanDerWaalsContact O-CB 3.29Å; E1284-K1288 WeakPolarHBondContact O-CB 3.21Å; E1284-K1288 WeakPolarHBondContact O-CD 3.31Å; E1284-K1288 WeakPolarHBondContact O-CG 3.35Å; E1284-K1288 PolarHBondContact O-N 2.73Å; E1284-K1288 VanDerWaalsContact OE1-CE 3.29Å; E1284-K1288 WeakPolarHBondContact OE1-CE 3.21Å; E1284-K1288 IonicContact OE1-NZ 2.71Å; E1284-K1288 PolarHBondContact OE1-NZ 2.78Å; E1284-K1288 IonicContact OE2-NZ 3.23Å; E1284-K1288 PolarHBondContact OE2-NZ 2.86Å; E1284-K1288 VanDerWaalsContact OE2-NZ 3.1Å; K1288-S1291 PolarHBondContact O-OG 2.79Å; K1288-A1292 WeakPolarHBondContact O-CB 3.44Å; K1288-A1292 PolarHBondContact O-N 3.3Å
1289	S	66.9	Low	65.1	Low	43 Å²	43	68.7 Å²	68.7	30%	0.301	39%	0.385	S	S	.	.	H	α-helix	trans	-74.7	-38.2	177.4	61	0	0	0	0	113.1	E1285 T1286 W1293	E1285-S1289 WeakPolarHBondContact O-CB 3.44Å; E1285-S1289 PolarHBondContact O-N 2.76Å; E1285-S1289 PolarHBondContact O-OG 2.84Å; T1286-S1289 PolarHBondContact O-OG 2.83Å; S1289-W1293 PolarHBondContact O-N 3.08Å
1290	L	63.7	Low	65.6	Low	29 Å²	29	69.2 Å²	69.2	15%	0.152	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-44.4	173.2	-169.5	78.9	0	0	0	112	T1286 W1293 Q1294 Y1334 V1336	T1286-L1290 WeakPolarHBondContact O-CB 3.33Å; T1286-L1290 PolarHBondContact O-N 2.93Å; L1290-W1293 HydrophobicContact CD1-CE3 4.08Å; L1290-W1293 HydrophobicContact CD1-CZ3 4.47Å; L1290-W1293 PolarHBondContact O-N 3.3Å; L1290-Q1294 WeakPolarHBondContact O-CG 3.44Å; L1290-Q1294 PolarHBondContact O-N 3.29Å; L1290-Y1334 HydrophobicContact CD1-CD2 4.38Å; L1290-Y1334 HydrophobicContact CD1-CG 4.19Å; L1290-V1336 HydrophobicContact CD1-CG2 3.93Å; L1290-V1336 HydrophobicContact CD2-CG2 4.42Å
1291	S	66.7	Low	65.8	Low	57 Å²	57	66.6 Å²	66.6	40%	0.399	37%	0.374	S	S	.	.	H	α-helix	trans	-67.2	-37.4	179.8	58.7	0	0	0	0	112.4	L1287 K1288 W1293 Q1294 V1295	L1287-S1291 VanDerWaalsContact O-CB 3.31Å; L1287-S1291 WeakPolarHBondContact O-CB 3.29Å; L1287-S1291 PolarHBondContact O-N 3.02Å; L1287-S1291 PolarHBondContact O-OG 2.98Å; K1288-S1291 PolarHBondContact O-OG 2.79Å; S1291-W1293 VanDerWaalsContact C-N 3.35Å; S1291-W1293 PolarHBondContact O-N 3.49Å; S1291-Q1294 PolarHBondContact O-N 3.41Å; S1291-V1295 WeakPolarHBondContact O-CG2 3.17Å; S1291-V1295 PolarHBondContact O-N 3.02Å
1292	A	73.1	Confident	66.6	Low	63 Å²	63	68.3 Å²	68.3	52%	0.521	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-40.5	171	0	0	0	0	0	112.3	K1288 S1296	K1288-A1292 WeakPolarHBondContact O-CB 3.44Å; K1288-A1292 PolarHBondContact O-N 3.3Å; A1292-S1296 PolarHBondContact O-N 2.9Å
1293	W	79.6	Confident	68	Low	16 Å²	16	68.7 Å²	68.7	6%	0.061	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-48.9	172.9	169.2	66.6	0	0	0	111.8	S1289 L1290 S1291 V1295 S1296 E1297 L1330 Y1334 I1341 W1344	S1289-W1293 PolarHBondContact O-N 3.08Å; L1290-W1293 HydrophobicContact CD1-CE3 4.08Å; L1290-W1293 HydrophobicContact CD1-CZ3 4.47Å; L1290-W1293 PolarHBondContact O-N 3.3Å; S1291-W1293 VanDerWaalsContact C-N 3.35Å; S1291-W1293 PolarHBondContact O-N 3.49Å; W1293-V1295 VanDerWaalsContact C-N 3.3Å; W1293-V1295 PolarHBondContact O-N 3.46Å; W1293-S1296 PolarHBondContact O-N 2.87Å; W1293-S1296 PolarHBondContact O-OG 3.34Å; W1293-E1297 HydrophobicContact CZ2-CB 4.07Å; W1293-E1297 HydrophobicContact CZ2-CG 3.74Å; W1293-E1297 PolarHBondContact NE1-OE2 3.44Å; W1293-E1297 PolarHBondContact O-N 3.43Å; W1293-L1330 HydrophobicContact CZ2-CD1 4.23Å; W1293-Y1334 HydrophobicContact CB-CE2 4.13Å; W1293-Y1334 HydrophobicContact CG-CE2 4.17Å; W1293-I1341 HydrophobicContact CH2-CG2 3.95Å; W1293-I1341 HydrophobicContact CZ2-CG2 4.46Å; W1293-W1344 HydrophobicContact CH2-CE3 4.11Å; W1293-W1344 HydrophobicContact CH2-CZ3 4.04Å; W1293-W1344 HydrophobicContact CZ3-CE3 4.47Å; W1293-W1344 HydrophobicContact CZ3-CZ3 4.41Å
1294	Q	76.5	Confident	68.8	Low	59 Å²	59	65.6 Å²	65.6	28%	0.276	35%	0.347	S	S	.	.	H	α-helix	trans	-54.9	-42.2	179.1	-75.8	173.5	-18.6	0	0	112.6	L1290 S1291 E1297 L1298 W1344	L1290-Q1294 WeakPolarHBondContact O-CG 3.44Å; L1290-Q1294 PolarHBondContact O-N 3.29Å; S1291-Q1294 PolarHBondContact O-N 3.41Å; Q1294-E1297 PolarHBondContact O-N 2.93Å; Q1294-L1298 WeakPolarHBondContact O-CB 3.48Å; Q1294-L1298 PolarHBondContact O-N 3.41Å; Q1294-W1344 HydrophobicContact CB-CH2 3.91Å; Q1294-W1344 HydrophobicContact CB-CZ2 3.76Å; Q1294-W1344 HydrophobicContact CG-CH2 3.99Å; Q1294-W1344 HydrophobicContact CG-CZ2 3.7Å
1295	V	74.9	Confident	69.7	Low	90 Å²	90	62 Å²	62	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-47.1	174.9	171.9	0	0	0	0	111.2	S1291 W1293 E1297 L1298 E1299	S1291-V1295 WeakPolarHBondContact O-CG2 3.17Å; S1291-V1295 PolarHBondContact O-N 3.02Å; W1293-V1295 VanDerWaalsContact C-N 3.3Å; W1293-V1295 PolarHBondContact O-N 3.46Å; V1295-E1297 VanDerWaalsContact C-N 3.28Å; V1295-E1297 PolarHBondContact O-N 2.92Å; V1295-L1298 PolarHBondContact O-N 2.96Å; V1295-E1299 PolarHBondContact O-N 3.17Å
1296	S	77.5	Confident	70	Confident	58 Å²	58	60.9 Å²	60.9	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-32.4	178.6	74	0	0	0	0	113.3	A1292 W1293 R1300	A1292-S1296 PolarHBondContact O-N 2.9Å; W1293-S1296 PolarHBondContact O-N 2.87Å; W1293-S1296 PolarHBondContact O-OG 3.34Å; S1296-R1300 PolarHBondContact O-N 3.15Å; S1296-R1300 VanDerWaalsContact O-N 3.11Å
1297	E	73.5	Confident	70.5	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-76.1	-37.5	179.1	-156.9	63.5	-138.2	0	0	111.5	W1293 Q1294 V1295 R1300 L1301 R1326 W1344 L1345	W1293-E1297 HydrophobicContact CZ2-CB 4.07Å; W1293-E1297 HydrophobicContact CZ2-CG 3.74Å; W1293-E1297 PolarHBondContact NE1-OE2 3.44Å; W1293-E1297 PolarHBondContact O-N 3.43Å; Q1294-E1297 PolarHBondContact O-N 2.93Å; V1295-E1297 VanDerWaalsContact C-N 3.28Å; V1295-E1297 PolarHBondContact O-N 2.92Å; E1297-R1300 PolarHBondContact O-N 3.02Å; E1297-R1300 IonicContact OE1-CZ 3.51Å; E1297-R1300 IonicContact OE1-NE 2.72Å; E1297-R1300 PolarHBondContact OE1-NE 3Å; E1297-R1300 IonicContact OE1-NH2 2.65Å; E1297-R1300 PolarHBondContact OE1-NH2 3.22Å; E1297-L1301 WeakPolarHBondContact O-CG 3.45Å; E1297-L1301 PolarHBondContact O-N 2.95Å; E1297-R1326 IonicContact OE1-CZ 3.13Å; E1297-R1326 IonicContact OE1-NH1 2.8Å; E1297-R1326 PolarHBondContact OE1-NH1 3.46Å; E1297-R1326 IonicContact OE1-NH2 2.69Å; E1297-R1326 IonicContact OE2-CZ 3.35Å; E1297-R1326 IonicContact OE2-NH1 3.85Å; E1297-R1326 PolarHBondContact OE2-NH1 3.23Å; E1297-R1326 IonicContact OE2-NH2 3.61Å; E1297-R1326 PolarHBondContact OE2-NH2 2.89Å; E1297-W1344 HydrophobicContact CB-CH2 4.36Å; E1297-W1344 HydrophobicContact CB-CZ3 4.19Å; E1297-W1344 HydrophobicContact CG-CZ3 4.23Å; E1297-L1345 HydrophobicContact CG-CD2 3.88Å
1298	L	73.5	Confident	70.6	Confident	50 Å²	50	63.7 Å²	63.7	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-40.9	170	-87.2	164.3	0	0	0	112.2	Q1294 V1295 R1300 L1301 Q1302 W1344 Q1348	Q1294-L1298 WeakPolarHBondContact O-CB 3.48Å; Q1294-L1298 PolarHBondContact O-N 3.41Å; V1295-L1298 PolarHBondContact O-N 2.96Å; L1298-R1300 VanDerWaalsContact C-N 3.34Å; L1298-L1301 PolarHBondContact O-N 3.24Å; L1298-Q1302 WeakPolarHBondContact O-CB 3.48Å; L1298-Q1302 WeakPolarHBondContact O-CG 3.37Å; L1298-Q1302 PolarHBondContact O-N 2.95Å; L1298-W1344 HydrophobicContact CD1-CH2 4.39Å; L1298-W1344 HydrophobicContact CD1-CZ2 4.23Å; L1298-W1344 HydrophobicContact CG-CH2 4.04Å; L1298-W1344 HydrophobicContact CG-CZ2 4.31Å; L1298-Q1348 HydrophobicContact CD2-CB 4.21Å; L1298-Q1348 HydrophobicContact CD2-CG 4.08Å
1299	E	75.6	Confident	69.8	Low	123 Å²	123	63.5 Å²	63.5	58%	0.575	34%	0.338	S	S	*	.	H	α-helix	trans	-62	-41	172.6	-73	-168.6	158.6	0	0	111.9	V1295 N1303	V1295-E1299 PolarHBondContact O-N 3.17Å; E1299-N1303 WeakPolarHBondContact O-CB 3.38Å; E1299-N1303 VanDerWaalsContact O-CG 3.23Å; E1299-N1303 PolarHBondContact O-N 2.97Å; E1299-N1303 PolarHBondContact O-ND2 3.43Å
1300	R	77.7	Confident	68.9	Low	70 Å²	70	69.2 Å²	69.2	26%	0.264	36%	0.359	S	S	.	.	H	α-helix	trans	-64.8	-47.2	176.4	-166.3	-168.5	64.4	105.2	-0.3	111.8	S1296 E1297 L1298 Q1302 N1303 L1304 E1323	S1296-R1300 PolarHBondContact O-N 3.15Å; S1296-R1300 VanDerWaalsContact O-N 3.11Å; E1297-R1300 PolarHBondContact O-N 3.02Å; E1297-R1300 IonicContact OE1-CZ 3.51Å; E1297-R1300 IonicContact OE1-NE 2.72Å; E1297-R1300 PolarHBondContact OE1-NE 3Å; E1297-R1300 IonicContact OE1-NH2 2.65Å; E1297-R1300 PolarHBondContact OE1-NH2 3.22Å; L1298-R1300 VanDerWaalsContact C-N 3.34Å; R1300-Q1302 PolarHBondContact O-N 3.13Å; R1300-N1303 PolarHBondContact O-N 3.01Å; R1300-N1303 VanDerWaalsContact O-N 3.1Å; R1300-L1304 PolarHBondContact O-N 2.65Å; R1300-E1323 IonicContact CZ-OE1 2.73Å; R1300-E1323 IonicContact CZ-OE2 3.75Å; R1300-E1323 IonicContact NE-OE1 3.48Å; R1300-E1323 IonicContact NH1-OE1 2.72Å; R1300-E1323 PolarHBondContact NH1-OE1 3.05Å; R1300-E1323 VanDerWaalsContact NH1-OE1 3.16Å; R1300-E1323 IonicContact NH1-OE2 2.8Å; R1300-E1323 PolarHBondContact NH1-OE2 3.2Å; R1300-E1323 IonicContact NH2-OE1 3.91Å; R1300-E1323 IonicContact NH2-OE2 2.84Å; R1300-E1323 PolarHBondContact NH2-OE2 2.8Å
1301	L	68.7	Low	68.7	Low	5 Å²	5	68.4 Å²	68.4	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-42.8	177	-70.3	174.9	0	0	0	111.8	E1297 L1298 N1303 L1304 V1305 F1316 L1345 Q1348 L1352	E1297-L1301 WeakPolarHBondContact O-CG 3.45Å; E1297-L1301 PolarHBondContact O-N 2.95Å; L1298-L1301 PolarHBondContact O-N 3.24Å; L1301-N1303 VanDerWaalsContact C-N 3.26Å; L1301-N1303 PolarHBondContact O-N 2.75Å; L1301-L1304 PolarHBondContact O-N 3.28Å; L1301-V1305 WeakPolarHBondContact O-CG2 3.19Å; L1301-V1305 PolarHBondContact O-N 3.47Å; L1301-F1316 HydrophobicContact CD2-CE2 4.45Å; L1301-L1345 HydrophobicContact CD1-CD2 3.89Å; L1301-Q1348 HydrophobicContact CD1-CB 4.06Å; L1301-L1352 HydrophobicContact CB-CD1 3.53Å; L1301-L1352 HydrophobicContact CD1-CD1 4.3Å
1302	Q	71.6	Confident	68.2	Low	75 Å²	75	68.5 Å²	68.5	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-57.8	-39.4	172.3	-82	-163.5	21.9	0	0	112.2	L1298 R1300 K1306 L1352	L1298-Q1302 WeakPolarHBondContact O-CB 3.48Å; L1298-Q1302 WeakPolarHBondContact O-CG 3.37Å; L1298-Q1302 PolarHBondContact O-N 2.95Å; R1300-Q1302 PolarHBondContact O-N 3.13Å; Q1302-K1306 WeakPolarHBondContact O-CB 3.39Å; Q1302-K1306 VanDerWaalsContact O-CD 3.31Å; Q1302-K1306 WeakPolarHBondContact O-CD 3.35Å; Q1302-K1306 WeakPolarHBondContact O-CG 3.49Å; Q1302-K1306 PolarHBondContact O-N 2.88Å; Q1302-L1352 HydrophobicContact CG-CD2 3.84Å
1303	N	75.5	Confident	67.2	Low	77 Å²	77	71.1 Å²	71.1	41%	0.412	35%	0.354	S	S	.	.	H	α-helix	trans	-73.8	-34.4	179.9	-71.2	-31.4	0	0	0	112.6	E1299 R1300 L1301 K1306 Q1307	E1299-N1303 WeakPolarHBondContact O-CB 3.38Å; E1299-N1303 VanDerWaalsContact O-CG 3.23Å; E1299-N1303 PolarHBondContact O-N 2.97Å; E1299-N1303 PolarHBondContact O-ND2 3.43Å; R1300-N1303 PolarHBondContact O-N 3.01Å; R1300-N1303 VanDerWaalsContact O-N 3.1Å; L1301-N1303 VanDerWaalsContact C-N 3.26Å; L1301-N1303 PolarHBondContact O-N 2.75Å; N1303-K1306 PolarHBondContact O-N 3.22Å; N1303-Q1307 WeakPolarHBondContact O-CB 3.39Å; N1303-Q1307 VanDerWaalsContact O-CG 3.3Å; N1303-Q1307 WeakPolarHBondContact O-CG 3.43Å; N1303-Q1307 PolarHBondContact O-N 3.5Å
1304	L	68.5	Low	66.2	Low	26 Å²	26	75.1 Å²	75.1	14%	0.136	38%	0.38	C	S	.	.	H	α-helix	trans	-61.3	-49.8	169.3	-96.4	163.8	0	0	0	111.6	R1300 L1301 K1306 Q1307 Q1308 L1311 E1319	R1300-L1304 PolarHBondContact O-N 2.65Å; L1301-L1304 PolarHBondContact O-N 3.28Å; L1304-K1306 VanDerWaalsContact C-N 3.27Å; L1304-K1306 PolarHBondContact O-N 2.67Å; L1304-Q1307 PolarHBondContact O-N 3.02Å; L1304-Q1308 PolarHBondContact O-N 2.91Å; L1304-L1311 HydrophobicContact CB-CD1 4.21Å; L1304-L1311 HydrophobicContact CD2-CD1 4.26Å; L1304-E1319 WeakPolarHBondContact CD1-OE2 3.38Å
1305	V	65	Low	65.6	Low	51 Å²	51	75.9 Å²	75.9	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-29.8	176.7	174.2	0	0	0	0	112.4	L1301	L1301-V1305 WeakPolarHBondContact O-CG2 3.19Å; L1301-V1305 PolarHBondContact O-N 3.47Å
1306	K	64.1	Low	65.2	Low	109 Å²	109	72.1 Å²	72.1	47%	0.474	36%	0.359	S	S	.	.	H	α-helix	trans	-73.8	-29.2	172	-73.6	162.1	-163.3	163.5	0	113.3	Q1302 N1303 L1304	Q1302-K1306 WeakPolarHBondContact O-CB 3.39Å; Q1302-K1306 VanDerWaalsContact O-CD 3.31Å; Q1302-K1306 WeakPolarHBondContact O-CD 3.35Å; Q1302-K1306 WeakPolarHBondContact O-CG 3.49Å; Q1302-K1306 PolarHBondContact O-N 2.88Å; N1303-K1306 PolarHBondContact O-N 3.22Å; L1304-K1306 VanDerWaalsContact C-N 3.27Å; L1304-K1306 PolarHBondContact O-N 2.67Å
1307	Q	65.5	Low	64.6	Low	158 Å²	158	71.5 Å²	71.5	74%	0.738	35%	0.35	S	S	*	.	H	α-helix	trans	-85.8	-36.2	179.7	-73.6	177.2	18.2	0	0	112.6	N1303 L1304	N1303-Q1307 WeakPolarHBondContact O-CB 3.39Å; N1303-Q1307 VanDerWaalsContact O-CG 3.3Å; N1303-Q1307 WeakPolarHBondContact O-CG 3.43Å; N1303-Q1307 PolarHBondContact O-N 3.5Å; L1304-Q1307 PolarHBondContact O-N 3.02Å
1308	Q	57.3	Low	64.4	Low	62 Å²	62	76.9 Å²	76.9	29%	0.29	38%	0.376	S	S	.	.			trans	-112.3	91.8	179.1	-61.7	-177.1	35.5	0	0	110.3	L1304 H1310 L1311 E1319	L1304-Q1308 PolarHBondContact O-N 2.91Å; Q1308-H1310 PolarHBondContact O-N 3.33Å; Q1308-L1311 HydrophobicContact CB-CB 3.95Å; Q1308-L1311 HydrophobicContact CB-CD1 4.26Å; Q1308-L1311 HydrophobicContact CB-CG 4.4Å; Q1308-L1311 PolarHBondContact O-N 3.33Å; Q1308-E1319 PolarHBondContact NE2-OE1 3.48Å
1309	N	50.5	Low	64.1	Low	111 Å²	111	76.5 Å²	76.5	59%	0.594	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-12	177.1	-76.5	-51.8	0	0	0	114.3	K1359	N1309-K1359 PolarHBondContact OD1-NZ 3.32Å
1310	H	48.9	Very low	63.9	Low	163 Å²	163	70.9 Å²	70.9	76%	0.755	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.5	21.8	-174.1	-58.4	-49.7	0	0	0	114.2	Q1308 T1312	Q1308-H1310 PolarHBondContact O-N 3.33Å; H1310-T1312 WeakPolarHBondContact O-CG2 3.28Å; H1310-T1312 PolarHBondContact O-N 3.15Å
1311	L	58.9	Low	63.5	Low	12 Å²	12	71.3 Å²	71.3	6%	0.063	36%	0.355	C	S	.	.			trans	-50.9	104	-177.8	-157.9	159.9	0	0	0	110.8	L1304 Q1308 E1315 F1316 R1353	L1304-L1311 HydrophobicContact CB-CD1 4.21Å; L1304-L1311 HydrophobicContact CD2-CD1 4.26Å; Q1308-L1311 HydrophobicContact CB-CB 3.95Å; Q1308-L1311 HydrophobicContact CB-CD1 4.26Å; Q1308-L1311 HydrophobicContact CB-CG 4.4Å; Q1308-L1311 PolarHBondContact O-N 3.33Å; L1311-E1315 HydrophobicContact CD2-CB 4.46Å; L1311-F1316 HydrophobicContact CD2-CB 3.7Å; L1311-R1353 PolarHBondContact O-NH2 3.38Å
1312	T	56.6	Low	63.7	Low	60 Å²	60	78.1 Å²	78.1	37%	0.368	39%	0.386	S	S	.	.			trans	-78.2	162.2	-174.9	61.3	0	0	0	0	111.1	H1310 V1314 E1315 F1316	H1310-T1312 WeakPolarHBondContact O-CG2 3.28Å; H1310-T1312 PolarHBondContact O-N 3.15Å; T1312-V1314 PolarHBondContact O-N 3.26Å; T1312-E1315 VanDerWaalsContact CB-OE2 3.25Å; T1312-E1315 WeakPolarHBondContact CB-OE2 3.45Å; T1312-E1315 VanDerWaalsContact CG2-OE2 3.31Å; T1312-E1315 WeakPolarHBondContact CG2-OE2 3.19Å; T1312-E1315 PolarHBondContact N-OE2 3.26Å; T1312-E1315 PolarHBondContact O-N 3.07Å; T1312-E1315 VanDerWaalsContact OG1-CD 3.3Å; T1312-E1315 WeakPolarHBondContact OG1-CG 3.3Å; T1312-E1315 PolarHBondContact OG1-N 2.62Å; T1312-E1315 VanDerWaalsContact OG1-N 3.13Å; T1312-E1315 PolarHBondContact OG1-OE2 3.01Å; T1312-F1316 PolarHBondContact O-N 3.08Å
1313	F	51.8	Low	63.6	Low	118 Å²	118	76.2 Å²	76.2	52%	0.518	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-30.7	173.6	-173.1	-93.8	0	0	0	111.9	E1317	F1313-E1317 HydrophobicContact CD1-CG 3.98Å; F1313-E1317 HydrophobicContact CE1-CG 3.62Å; F1313-E1317 HydrophobicContact CZ-CG 4.09Å; F1313-E1317 WeakPolarHBondContact O-CB 3.45Å; F1313-E1317 VanDerWaalsContact O-CG 3.28Å; F1313-E1317 WeakPolarHBondContact O-CG 3.48Å; F1313-E1317 PolarHBondContact O-N 2.81Å
1314	V	57.8	Low	63.5	Low	100 Å²	100	77.7 Å²	77.7	61%	0.606	38%	0.378	S	S	*	.	H	α-helix	trans	-73	-40.7	176.7	-177.9	0	0	0	0	111.7	T1312 E1317 M1318	T1312-V1314 PolarHBondContact O-N 3.26Å; V1314-E1317 PolarHBondContact O-N 3.16Å; V1314-M1318 WeakPolarHBondContact O-CG 3.35Å; V1314-M1318 PolarHBondContact O-N 3Å
1315	E	64.9	Low	63.7	Low	74 Å²	74	81.5 Å²	81.5	35%	0.346	40%	0.398	S	S	.	.	H	α-helix	trans	-66.1	-39.4	173.6	-73.2	155.2	142.9	0	0	111.3	L1311 T1312 M1318 E1319	L1311-E1315 HydrophobicContact CD2-CB 4.46Å; T1312-E1315 VanDerWaalsContact CB-OE2 3.25Å; T1312-E1315 WeakPolarHBondContact CB-OE2 3.45Å; T1312-E1315 VanDerWaalsContact CG2-OE2 3.31Å; T1312-E1315 WeakPolarHBondContact CG2-OE2 3.19Å; T1312-E1315 PolarHBondContact N-OE2 3.26Å; T1312-E1315 PolarHBondContact O-N 3.07Å; T1312-E1315 VanDerWaalsContact OG1-CD 3.3Å; T1312-E1315 WeakPolarHBondContact OG1-CG 3.3Å; T1312-E1315 PolarHBondContact OG1-N 2.62Å; T1312-E1315 VanDerWaalsContact OG1-N 3.13Å; T1312-E1315 PolarHBondContact OG1-OE2 3.01Å; E1315-M1318 PolarHBondContact O-N 3.1Å; E1315-E1319 PolarHBondContact O-N 3.33Å
1316	F	65.9	Low	64.1	Low	11 Å²	11	83.2 Å²	83.2	5%	0.048	40%	0.399	C	S	.	.	H	α-helix	trans	-62.6	-45.4	171.8	-178.6	-107.1	0	0	0	112.5	L1301 L1311 T1312 M1318 E1319 L1320 L1345 R1346 L1349	L1301-F1316 HydrophobicContact CD2-CE2 4.45Å; L1311-F1316 HydrophobicContact CD2-CB 3.7Å; T1312-F1316 PolarHBondContact O-N 3.08Å; F1316-M1318 VanDerWaalsContact C-N 3.25Å; F1316-M1318 PolarHBondContact O-N 3Å; F1316-E1319 PolarHBondContact O-N 2.93Å; F1316-L1320 HydrophobicContact CD1-CD1 4.44Å; F1316-L1320 HydrophobicContact CE1-CD1 3.6Å; F1316-L1320 HydrophobicContact CZ-CD1 3.72Å; F1316-L1320 WeakPolarHBondContact O-CB 3.39Å; F1316-L1320 PolarHBondContact O-N 2.81Å; F1316-L1345 HydrophobicContact CZ-CB 4.28Å; F1316-R1346 HydrophobicContact CE1-CG 3.84Å; F1316-L1349 HydrophobicContact CB-CD2 3.92Å; F1316-L1349 HydrophobicContact CD1-CD2 3.64Å; F1316-L1349 HydrophobicContact CD2-CD1 3.68Å; F1316-L1349 HydrophobicContact CD2-CD2 3.86Å; F1316-L1349 HydrophobicContact CD2-CG 4.2Å; F1316-L1349 HydrophobicContact CE1-CB 4.38Å; F1316-L1349 HydrophobicContact CE1-CD2 4.02Å; F1316-L1349 HydrophobicContact CE2-CB 4.1Å; F1316-L1349 HydrophobicContact CE2-CD1 3.91Å; F1316-L1349 HydrophobicContact CE2-CD2 4.23Å; F1316-L1349 HydrophobicContact CE2-CG 4.28Å; F1316-L1349 HydrophobicContact CG-CD1 4.2Å; F1316-L1349 HydrophobicContact CG-CD2 3.52Å; F1316-L1349 HydrophobicContact CG-CG 4.36Å; F1316-L1349 HydrophobicContact CZ-CB 4.01Å; F1316-L1349 HydrophobicContact CZ-CD2 4.29Å
1317	E	64.2	Low	64.5	Low	46 Å²	46	78 Å²	78	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-62	-33.3	174.3	-75.2	-74.7	126.4	0	0	111.6	F1313 V1314 N1321 R1346	F1313-E1317 HydrophobicContact CD1-CG 3.98Å; F1313-E1317 HydrophobicContact CE1-CG 3.62Å; F1313-E1317 HydrophobicContact CZ-CG 4.09Å; F1313-E1317 WeakPolarHBondContact O-CB 3.45Å; F1313-E1317 VanDerWaalsContact O-CG 3.28Å; F1313-E1317 WeakPolarHBondContact O-CG 3.48Å; F1313-E1317 PolarHBondContact O-N 2.81Å; V1314-E1317 PolarHBondContact O-N 3.16Å; E1317-N1321 WeakPolarHBondContact O-CB 3.26Å; E1317-N1321 PolarHBondContact O-N 2.65Å; E1317-N1321 PolarHBondContact O-ND2 2.94Å; E1317-R1346 IonicContact OE1-CZ 3.68Å; E1317-R1346 IonicContact OE1-NE 3.66Å; E1317-R1346 PolarHBondContact OE1-NE 3.23Å; E1317-R1346 IonicContact OE1-NH2 3.86Å; E1317-R1346 PolarHBondContact OE1-NH2 2.8Å; E1317-R1346 IonicContact OE2-NH2 2.71Å; E1317-R1346 PolarHBondContact OE2-NH2 3.44Å
1318	M	69.5	Low	64.9	Low	113 Å²	113	75.6 Å²	75.6	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-71.4	-40.7	172.8	-73.2	-149.4	-56.2	0	0	113.3	V1314 E1315 F1316 Q1322	V1314-M1318 WeakPolarHBondContact O-CG 3.35Å; V1314-M1318 PolarHBondContact O-N 3Å; E1315-M1318 PolarHBondContact O-N 3.1Å; F1316-M1318 VanDerWaalsContact C-N 3.25Å; F1316-M1318 PolarHBondContact O-N 3Å; M1318-Q1322 WeakPolarHBondContact O-CB 3.27Å; M1318-Q1322 VanDerWaalsContact O-CG 3.28Å; M1318-Q1322 WeakPolarHBondContact O-CG 3.37Å; M1318-Q1322 PolarHBondContact O-N 3.47Å; M1318-Q1322 PolarHBondContact O-NE2 3.45Å
1319	E	68.1	Low	65.7	Low	43 Å²	43	78.3 Å²	78.3	20%	0.201	38%	0.376	C	S	.	.	H	α-helix	trans	-67.8	-41.6	175.6	-74	-176	173.5	0	0	111.1	L1304 Q1308 E1315 F1316 Q1322 E1323	L1304-E1319 WeakPolarHBondContact CD1-OE2 3.38Å; Q1308-E1319 PolarHBondContact NE2-OE1 3.48Å; E1315-E1319 PolarHBondContact O-N 3.33Å; F1316-E1319 PolarHBondContact O-N 2.93Å; E1319-Q1322 CarbonylContact O-C 3.59Å; E1319-Q1322 WeakPolarHBondContact O-CB 3.46Å; E1319-Q1322 PolarHBondContact O-N 3.31Å; E1319-E1323 WeakPolarHBondContact O-CB 3.49Å; E1319-E1323 PolarHBondContact O-N 2.9Å
1320	L	70.6	Confident	66.5	Low	5 Å²	5	73.8 Å²	73.8	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-66.5	-37.9	176.9	-175	149.5	0	0	0	111.9	F1316 E1323 R1324 L1327 E1342	F1316-L1320 HydrophobicContact CD1-CD1 4.44Å; F1316-L1320 HydrophobicContact CE1-CD1 3.6Å; F1316-L1320 HydrophobicContact CZ-CD1 3.72Å; F1316-L1320 WeakPolarHBondContact O-CB 3.39Å; F1316-L1320 PolarHBondContact O-N 2.81Å; L1320-E1323 CarbonylContact O-C 3.2Å; L1320-E1323 PolarHBondContact O-N 3.3Å; L1320-R1324 PolarHBondContact O-N 3.39Å; L1320-L1327 HydrophobicContact CG-CD1 4.47Å; L1320-E1342 HydrophobicContact CD1-CG 4.44Å; L1320-E1342 HydrophobicContact CD2-CG 4.02Å; L1320-E1342 HydrophobicContact CG-CG 4.47Å
1321	N	69.8	Low	67.3	Low	79 Å²	79	66.3 Å²	66.3	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-71.2	-30.2	170.9	-80.6	-74	0	0	0	113.1	E1317 R1324	E1317-N1321 WeakPolarHBondContact O-CB 3.26Å; E1317-N1321 PolarHBondContact O-N 2.65Å; E1317-N1321 PolarHBondContact O-ND2 2.94Å; N1321-R1324 PolarHBondContact OD1-NH1 2.88Å
1322	Q	73	Confident	67.9	Low	147 Å²	147	72.1 Å²	72.1	69%	0.687	35%	0.349	S	S	*	.	H	α-helix	trans	-69.8	-33.5	170.2	-77.1	170.6	65.5	0	0	112.1	M1318 E1319	M1318-Q1322 WeakPolarHBondContact O-CB 3.27Å; M1318-Q1322 VanDerWaalsContact O-CG 3.28Å; M1318-Q1322 WeakPolarHBondContact O-CG 3.37Å; M1318-Q1322 PolarHBondContact O-N 3.47Å; M1318-Q1322 PolarHBondContact O-NE2 3.45Å; E1319-Q1322 CarbonylContact O-C 3.59Å; E1319-Q1322 WeakPolarHBondContact O-CB 3.46Å; E1319-Q1322 PolarHBondContact O-N 3.31Å
1323	E	69.2	Low	68.5	Low	36 Å²	36	76 Å²	76	17%	0.168	36%	0.363	C	S	.	.	H	α-helix	trans	-89.4	-3.7	178.2	-73.8	-164.7	115.3	0	0	114.7	R1300 E1319 L1320 D1325 R1326 L1327	R1300-E1323 IonicContact CZ-OE1 2.73Å; R1300-E1323 IonicContact CZ-OE2 3.75Å; R1300-E1323 IonicContact NE-OE1 3.48Å; R1300-E1323 IonicContact NH1-OE1 2.72Å; R1300-E1323 PolarHBondContact NH1-OE1 3.05Å; R1300-E1323 VanDerWaalsContact NH1-OE1 3.16Å; R1300-E1323 IonicContact NH1-OE2 2.8Å; R1300-E1323 PolarHBondContact NH1-OE2 3.2Å; R1300-E1323 IonicContact NH2-OE1 3.91Å; R1300-E1323 IonicContact NH2-OE2 2.84Å; R1300-E1323 PolarHBondContact NH2-OE2 2.8Å; E1319-E1323 WeakPolarHBondContact O-CB 3.49Å; E1319-E1323 PolarHBondContact O-N 2.9Å; L1320-E1323 CarbonylContact O-C 3.2Å; L1320-E1323 PolarHBondContact O-N 3.3Å; E1323-D1325 PolarHBondContact O-N 2.84Å; E1323-D1325 VanDerWaalsContact O-N 3.08Å; E1323-R1326 HydrophobicContact CB-CB 4.44Å; E1323-R1326 CarbonylContact O-C 3.55Å; E1323-R1326 VanDerWaalsContact O-CA 3.29Å; E1323-R1326 WeakPolarHBondContact O-CA 3.34Å; E1323-R1326 VanDerWaalsContact O-CB 3.27Å; E1323-R1326 WeakPolarHBondContact O-CB 3.41Å; E1323-R1326 PolarHBondContact O-N 2.89Å; E1323-R1326 VanDerWaalsContact OE1-CD 3.27Å; E1323-R1326 WeakPolarHBondContact OE1-CD 3.46Å; E1323-R1326 IonicContact OE1-CZ 2.84Å; E1323-R1326 IonicContact OE1-NE 3.53Å; E1323-R1326 IonicContact OE1-NH1 3.29Å; E1323-R1326 PolarHBondContact OE1-NH1 2.86Å; E1323-L1327 HydrophobicContact CB-CG 4.5Å; E1323-L1327 WeakPolarHBondContact O-CG 3.46Å; E1323-L1327 PolarHBondContact O-N 3.39Å
1324	R	72.9	Confident	68.8	Low	108 Å²	108	73 Å²	73	41%	0.408	35%	0.348	S	S	.	.	H	α-helix	trans	-50.2	-38.6	173.8	-98.4	-179.5	166	160.7	-3.6	112.8	L1320 N1321 R1326 L1327 Q1328 E1342	L1320-R1324 PolarHBondContact O-N 3.39Å; N1321-R1324 PolarHBondContact OD1-NH1 2.88Å; R1324-R1326 PolarHBondContact O-N 3.17Å; R1324-L1327 PolarHBondContact O-N 2.96Å; R1324-Q1328 VanDerWaalsContact O-CB 3.22Å; R1324-Q1328 WeakPolarHBondContact O-CB 3.46Å; R1324-Q1328 PolarHBondContact O-N 3.2Å; R1324-E1342 WeakPolarHBondContact CG-OE1 3.42Å; R1324-E1342 IonicContact CZ-OE1 3.5Å; R1324-E1342 IonicContact CZ-OE2 2.77Å; R1324-E1342 IonicContact NE-OE1 3.24Å; R1324-E1342 PolarHBondContact NE-OE1 3.06Å; R1324-E1342 IonicContact NE-OE2 3.32Å; R1324-E1342 IonicContact NH2-OE1 3.71Å; R1324-E1342 PolarHBondContact NH2-OE1 3.07Å; R1324-E1342 IonicContact NH2-OE2 2.61Å; R1324-E1342 PolarHBondContact NH2-OE2 3.42Å
1325	D	72.6	Confident	68.8	Low	105 Å²	105	73.1 Å²	73.1	56%	0.561	35%	0.354	S	S	*	.	H	α-helix	trans	-63	-26.6	174.7	-126.1	61.9	0	0	0	113.8	E1323 K1329	E1323-D1325 PolarHBondContact O-N 2.84Å; E1323-D1325 VanDerWaalsContact O-N 3.08Å; D1325-K1329 VanDerWaalsContact O-CD 3.23Å; D1325-K1329 WeakPolarHBondContact O-CD 3.37Å; D1325-K1329 WeakPolarHBondContact O-CE 3.24Å; D1325-K1329 WeakPolarHBondContact O-CG 3.34Å; D1325-K1329 PolarHBondContact O-NZ 2.99Å; D1325-K1329 IonicContact OD2-NZ 3.79Å; D1325-K1329 PolarHBondContact OD2-NZ 3.5Å
1326	R	73.1	Confident	68.5	Low	87 Å²	87	71.4 Å²	71.4	33%	0.328	35%	0.348	S	S	.	.	H	α-helix	trans	-87.3	-45.2	174.5	-178.7	-175.8	174.5	-120	-15.9	110.6	E1297 E1323 R1324 Q1328 K1329 L1330	E1297-R1326 IonicContact OE1-CZ 3.13Å; E1297-R1326 IonicContact OE1-NH1 2.8Å; E1297-R1326 PolarHBondContact OE1-NH1 3.46Å; E1297-R1326 IonicContact OE1-NH2 2.69Å; E1297-R1326 IonicContact OE2-CZ 3.35Å; E1297-R1326 IonicContact OE2-NH1 3.85Å; E1297-R1326 PolarHBondContact OE2-NH1 3.23Å; E1297-R1326 IonicContact OE2-NH2 3.61Å; E1297-R1326 PolarHBondContact OE2-NH2 2.89Å; E1323-R1326 HydrophobicContact CB-CB 4.44Å; E1323-R1326 CarbonylContact O-C 3.55Å; E1323-R1326 VanDerWaalsContact O-CA 3.29Å; E1323-R1326 WeakPolarHBondContact O-CA 3.34Å; E1323-R1326 VanDerWaalsContact O-CB 3.27Å; E1323-R1326 WeakPolarHBondContact O-CB 3.41Å; E1323-R1326 PolarHBondContact O-N 2.89Å; E1323-R1326 VanDerWaalsContact OE1-CD 3.27Å; E1323-R1326 WeakPolarHBondContact OE1-CD 3.46Å; E1323-R1326 IonicContact OE1-CZ 2.84Å; E1323-R1326 IonicContact OE1-NE 3.53Å; E1323-R1326 IonicContact OE1-NH1 3.29Å; E1323-R1326 PolarHBondContact OE1-NH1 2.86Å; R1324-R1326 PolarHBondContact O-N 3.17Å; R1326-Q1328 PolarHBondContact O-N 3.06Å; R1326-K1329 PolarHBondContact O-N 3.02Å; R1326-L1330 HydrophobicContact CG-CD1 4.05Å; R1326-L1330 WeakPolarHBondContact O-CG 3.35Å; R1326-L1330 PolarHBondContact O-N 2.94Å
1327	L	73.2	Confident	68.7	Low	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-39.8	177.9	-56.8	-175.6	0	0	0	111.8	L1320 E1323 R1324 K1329 L1330 A1331 I1341 E1342 L1345	L1320-L1327 HydrophobicContact CG-CD1 4.47Å; E1323-L1327 HydrophobicContact CB-CG 4.5Å; E1323-L1327 WeakPolarHBondContact O-CG 3.46Å; E1323-L1327 PolarHBondContact O-N 3.39Å; R1324-L1327 PolarHBondContact O-N 2.96Å; L1327-K1329 VanDerWaalsContact C-N 3.32Å; L1327-K1329 PolarHBondContact O-N 3.21Å; L1327-L1330 HydrophobicContact CD2-CD1 4.32Å; L1327-L1330 PolarHBondContact O-N 3.37Å; L1327-A1331 VanDerWaalsContact O-CB 3.31Å; L1327-A1331 WeakPolarHBondContact O-CB 3.32Å; L1327-A1331 PolarHBondContact O-N 3.34Å; L1327-I1341 HydrophobicContact CB-CG2 4.29Å; L1327-I1341 HydrophobicContact CD1-CG2 4.25Å; L1327-I1341 HydrophobicContact CD2-CG2 3.86Å; L1327-I1341 HydrophobicContact CG-CG2 4.33Å; L1327-E1342 HydrophobicContact CD1-CG 4.08Å; L1327-L1345 HydrophobicContact CD1-CD1 3.56Å; L1327-L1345 HydrophobicContact CD2-CD1 3.64Å; L1327-L1345 HydrophobicContact CG-CD1 4.25Å
1328	Q	74	Confident	69	Low	108 Å²	108	74.1 Å²	74.1	51%	0.505	37%	0.366	S	S	.	.	H	α-helix	trans	-68.2	-30.1	175.6	-166	171.9	22	0	0	112.6	R1324 R1326 N1332 V1338	R1324-Q1328 VanDerWaalsContact O-CB 3.22Å; R1324-Q1328 WeakPolarHBondContact O-CB 3.46Å; R1324-Q1328 PolarHBondContact O-N 3.2Å; R1326-Q1328 PolarHBondContact O-N 3.06Å; Q1328-N1332 WeakPolarHBondContact O-CB 3.19Å; Q1328-N1332 PolarHBondContact O-N 3.32Å; Q1328-N1332 PolarHBondContact O-ND2 3.35Å; Q1328-V1338 HydrophobicContact CB-CG2 4.2Å; Q1328-V1338 HydrophobicContact CG-CG2 4.2Å
1329	K	74.2	Confident	69.2	Low	118 Å²	118	72.1 Å²	72.1	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-72	-38.7	171.2	-69	173.3	-170.1	102.8	0	111.5	D1325 R1326 L1327 N1332 Q1333	D1325-K1329 VanDerWaalsContact O-CD 3.23Å; D1325-K1329 WeakPolarHBondContact O-CD 3.37Å; D1325-K1329 WeakPolarHBondContact O-CE 3.24Å; D1325-K1329 WeakPolarHBondContact O-CG 3.34Å; D1325-K1329 PolarHBondContact O-NZ 2.99Å; D1325-K1329 IonicContact OD2-NZ 3.79Å; D1325-K1329 PolarHBondContact OD2-NZ 3.5Å; R1326-K1329 PolarHBondContact O-N 3.02Å; L1327-K1329 VanDerWaalsContact C-N 3.32Å; L1327-K1329 PolarHBondContact O-N 3.21Å; K1329-N1332 PolarHBondContact O-N 3.21Å; K1329-Q1333 WeakPolarHBondContact O-CG 3.29Å; K1329-Q1333 PolarHBondContact O-N 3.28Å
1330	L	66.7	Low	69.2	Low	17 Å²	17	75.3 Å²	75.3	9%	0.089	38%	0.375	C	S	.	.	H	α-helix	trans	-68.7	-43	175.8	-68.3	161.9	0	0	0	112.1	W1293 R1326 L1327 N1332 Q1333 Y1334	W1293-L1330 HydrophobicContact CZ2-CD1 4.23Å; R1326-L1330 HydrophobicContact CG-CD1 4.05Å; R1326-L1330 WeakPolarHBondContact O-CG 3.35Å; R1326-L1330 PolarHBondContact O-N 2.94Å; L1327-L1330 HydrophobicContact CD2-CD1 4.32Å; L1327-L1330 PolarHBondContact O-N 3.37Å; L1330-N1332 VanDerWaalsContact C-N 3.33Å; L1330-N1332 PolarHBondContact O-N 3.15Å; L1330-Q1333 PolarHBondContact O-N 3.18Å; L1330-Y1334 HydrophobicContact CB-CD2 4.45Å; L1330-Y1334 HydrophobicContact CD2-CD2 4.46Å; L1330-Y1334 HydrophobicContact CD2-CE2 3.81Å; L1330-Y1334 WeakPolarHBondContact O-CD2 3.27Å; L1330-Y1334 PolarHBondContact O-N 3.36Å
1331	A	66.5	Low	69.2	Low	5 Å²	5	75.2 Å²	75.2	4%	0.041	37%	0.374	C	S	.	.	H	α-helix	trans	-53.8	-48.5	171.5	0	0	0	0	0	111.5	L1327 Q1333 Y1334 S1335 V1336 V1338 I1341	L1327-A1331 VanDerWaalsContact O-CB 3.31Å; L1327-A1331 WeakPolarHBondContact O-CB 3.32Å; L1327-A1331 PolarHBondContact O-N 3.34Å; A1331-Q1333 VanDerWaalsContact C-N 3.27Å; A1331-Q1333 PolarHBondContact O-N 3.34Å; A1331-Y1334 PolarHBondContact O-N 3.47Å; A1331-S1335 WeakPolarHBondContact O-CA 3.41Å; A1331-S1335 PolarHBondContact O-N 3.49Å; A1331-V1336 WeakPolarHBondContact CA-O 3.45Å; A1331-V1336 WeakPolarHBondContact CB-O 3.22Å; A1331-V1336 PolarHBondContact O-N 3.1Å; A1331-V1338 HydrophobicContact CB-CG2 3.53Å; A1331-I1341 HydrophobicContact CB-CD1 4.07Å
1332	N	71.5	Confident	69.4	Low	135 Å²	135	72 Å²	72	72%	0.722	36%	0.357	S	S	*	.	H	α-helix	trans	-68.6	-20.4	176.4	-69.4	-10.5	0	0	0	113.8	Q1328 K1329 L1330	Q1328-N1332 WeakPolarHBondContact O-CB 3.19Å; Q1328-N1332 PolarHBondContact O-N 3.32Å; Q1328-N1332 PolarHBondContact O-ND2 3.35Å; K1329-N1332 PolarHBondContact O-N 3.21Å; L1330-N1332 VanDerWaalsContact C-N 3.33Å; L1330-N1332 PolarHBondContact O-N 3.15Å
1333	Q	68.5	Low	69.4	Low	141 Å²	141	70 Å²	70	66%	0.659	35%	0.347	S	S	*	.	H	α-helix	trans	-87	-33.1	175.8	-79.7	-176.8	-51.6	0	0	113.5	K1329 L1330 A1331	K1329-Q1333 WeakPolarHBondContact O-CG 3.29Å; K1329-Q1333 PolarHBondContact O-N 3.28Å; L1330-Q1333 PolarHBondContact O-N 3.18Å; A1331-Q1333 VanDerWaalsContact C-N 3.27Å; A1331-Q1333 PolarHBondContact O-N 3.34Å
1334	Y	59.3	Low	69.8	Low	55 Å²	55	70.3 Å²	70.3	22%	0.216	35%	0.347	C	S	.	.	H	α-helix	trans	-109.5	-1.8	-175.4	-60.6	-59.6	0	0	0	114.4	L1290 W1293 L1330 A1331 V1336	L1290-Y1334 HydrophobicContact CD1-CD2 4.38Å; L1290-Y1334 HydrophobicContact CD1-CG 4.19Å; W1293-Y1334 HydrophobicContact CB-CE2 4.13Å; W1293-Y1334 HydrophobicContact CG-CE2 4.17Å; L1330-Y1334 HydrophobicContact CB-CD2 4.45Å; L1330-Y1334 HydrophobicContact CD2-CD2 4.46Å; L1330-Y1334 HydrophobicContact CD2-CE2 3.81Å; L1330-Y1334 WeakPolarHBondContact O-CD2 3.27Å; L1330-Y1334 PolarHBondContact O-N 3.36Å; A1331-Y1334 PolarHBondContact O-N 3.47Å; Y1334-V1336 VanDerWaalsContact C-N 3.31Å; Y1334-V1336 PolarHBondContact O-N 2.87Å
1335	S	56.5	Low	70	Confident	102 Å²	102	65.4 Å²	65.4	71%	0.713	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	41.2	-176.8	50.2	0	0	0	0	114	A1331	A1331-S1335 WeakPolarHBondContact O-CA 3.41Å; A1331-S1335 PolarHBondContact O-N 3.49Å
1336	V	58.3	Low	70.1	Confident	38 Å²	38	64.7 Å²	64.7	23%	0.23	32%	0.318	C	S	.	.			trans	-113.7	145.5	174.2	179.9	0	0	0	0	108.4	L1290 A1331 Y1334 E1340 I1341	L1290-V1336 HydrophobicContact CD1-CG2 3.93Å; L1290-V1336 HydrophobicContact CD2-CG2 4.42Å; A1331-V1336 WeakPolarHBondContact CA-O 3.45Å; A1331-V1336 WeakPolarHBondContact CB-O 3.22Å; A1331-V1336 PolarHBondContact O-N 3.1Å; Y1334-V1336 VanDerWaalsContact C-N 3.31Å; Y1334-V1336 PolarHBondContact O-N 2.87Å; V1336-E1340 HydrophobicContact CG1-CB 4.01Å; V1336-E1340 WeakPolarHBondContact CG1-OE2 3.41Å; V1336-I1341 HydrophobicContact CB-CD1 4.31Å; V1336-I1341 HydrophobicContact CB-CG1 4.49Å; V1336-I1341 HydrophobicContact CG1-CD1 4.29Å; V1336-I1341 HydrophobicContact CG1-CG1 3.93Å
1337	N	70.7	Confident	70	Confident	83 Å²	83	65.9 Å²	65.9	44%	0.444	33%	0.327	S	S	.	.			trans	-67.2	141.8	-178.4	-172.4	-7.1	0	0	0	111.1	V1339 E1340 I1341	N1337-V1339 PolarHBondContact O-N 3.49Å; N1337-V1339 PolarHBondContact OD1-N 3.32Å; N1337-E1340 HydrophobicContact CB-CB 4.12Å; N1337-E1340 HydrophobicContact CB-CG 3.79Å; N1337-E1340 WeakPolarHBondContact CB-OE2 3.4Å; N1337-E1340 PolarHBondContact N-OE2 2.95Å; N1337-E1340 PolarHBondContact O-N 3.44Å; N1337-E1340 VanDerWaalsContact O-N 3.14Å; N1337-I1341 WeakPolarHBondContact O-CG1 3.42Å; N1337-I1341 PolarHBondContact O-N 2.81Å
1338	V	71.9	Confident	69.9	Low	31 Å²	31	67.5 Å²	67.5	19%	0.188	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-36.1	171.5	-178.7	0	0	0	0	110.6	Q1328 A1331 I1341 E1342	Q1328-V1338 HydrophobicContact CB-CG2 4.2Å; Q1328-V1338 HydrophobicContact CG-CG2 4.2Å; A1331-V1338 HydrophobicContact CB-CG2 3.53Å; V1338-I1341 PolarHBondContact O-N 3.02Å; V1338-E1342 HydrophobicContact CG1-CG 4.26Å; V1338-E1342 WeakPolarHBondContact CG1-OE1 3.43Å; V1338-E1342 WeakPolarHBondContact O-CB 3.4Å; V1338-E1342 WeakPolarHBondContact O-CG 3.19Å; V1338-E1342 PolarHBondContact O-N 2.84Å
1339	V	72	Confident	69.5	Low	71 Å²	71	62.8 Å²	62.8	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-42.9	176.6	-175.4	0	0	0	0	111.7	N1337 I1341 E1342 E1343	N1337-V1339 PolarHBondContact O-N 3.49Å; N1337-V1339 PolarHBondContact OD1-N 3.32Å; V1339-I1341 VanDerWaalsContact C-N 3.27Å; V1339-I1341 PolarHBondContact O-N 2.81Å; V1339-E1342 PolarHBondContact O-N 3.45Å; V1339-E1343 HydrophobicContact CG1-CG 4.37Å; V1339-E1343 WeakPolarHBondContact O-CB 3.4Å; V1339-E1343 WeakPolarHBondContact O-CG 3.42Å; V1339-E1343 PolarHBondContact O-N 2.85Å
1340	E	67.9	Low	69.1	Low	110 Å²	110	61.9 Å²	61.9	51%	0.514	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-35	176.3	-68.5	163.5	160.4	0	0	111.3	V1336 N1337 W1344	V1336-E1340 HydrophobicContact CG1-CB 4.01Å; V1336-E1340 WeakPolarHBondContact CG1-OE2 3.41Å; N1337-E1340 HydrophobicContact CB-CB 4.12Å; N1337-E1340 HydrophobicContact CB-CG 3.79Å; N1337-E1340 WeakPolarHBondContact CB-OE2 3.4Å; N1337-E1340 PolarHBondContact N-OE2 2.95Å; N1337-E1340 PolarHBondContact O-N 3.44Å; N1337-E1340 VanDerWaalsContact O-N 3.14Å; E1340-W1344 VanDerWaalsContact O-CB 3.24Å; E1340-W1344 WeakPolarHBondContact O-CB 3.21Å; E1340-W1344 PolarHBondContact O-N 3.43Å
1341	I	71.5	Confident	68.8	Low	4 Å²	4	64.1 Å²	64.1	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-71.4	-43.5	174.4	-67.7	170.5	0	0	0	111.2	W1293 L1327 A1331 V1336 N1337 V1338 V1339 W1344 L1345	W1293-I1341 HydrophobicContact CH2-CG2 3.95Å; W1293-I1341 HydrophobicContact CZ2-CG2 4.46Å; L1327-I1341 HydrophobicContact CB-CG2 4.29Å; L1327-I1341 HydrophobicContact CD1-CG2 4.25Å; L1327-I1341 HydrophobicContact CD2-CG2 3.86Å; L1327-I1341 HydrophobicContact CG-CG2 4.33Å; A1331-I1341 HydrophobicContact CB-CD1 4.07Å; V1336-I1341 HydrophobicContact CB-CD1 4.31Å; V1336-I1341 HydrophobicContact CB-CG1 4.49Å; V1336-I1341 HydrophobicContact CG1-CD1 4.29Å; V1336-I1341 HydrophobicContact CG1-CG1 3.93Å; N1337-I1341 WeakPolarHBondContact O-CG1 3.42Å; N1337-I1341 PolarHBondContact O-N 2.81Å; V1338-I1341 PolarHBondContact O-N 3.02Å; V1339-I1341 VanDerWaalsContact C-N 3.27Å; V1339-I1341 PolarHBondContact O-N 2.81Å; I1341-W1344 PolarHBondContact O-N 3.47Å; I1341-L1345 HydrophobicContact CG2-CD1 3.96Å; I1341-L1345 HydrophobicContact CG2-CG 4.45Å; I1341-L1345 WeakPolarHBondContact O-CB 3.41Å; I1341-L1345 WeakPolarHBondContact O-CG 3.48Å; I1341-L1345 PolarHBondContact O-N 2.76Å
1342	E	74.2	Confident	68.6	Low	12 Å²	12	65.1 Å²	65.1	6%	0.056	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-39	175.9	-74.6	179.4	-169.3	0	0	111.8	L1320 R1324 L1327 V1338 V1339 R1346	L1320-E1342 HydrophobicContact CD1-CG 4.44Å; L1320-E1342 HydrophobicContact CD2-CG 4.02Å; L1320-E1342 HydrophobicContact CG-CG 4.47Å; R1324-E1342 WeakPolarHBondContact CG-OE1 3.42Å; R1324-E1342 IonicContact CZ-OE1 3.5Å; R1324-E1342 IonicContact CZ-OE2 2.77Å; R1324-E1342 IonicContact NE-OE1 3.24Å; R1324-E1342 PolarHBondContact NE-OE1 3.06Å; R1324-E1342 IonicContact NE-OE2 3.32Å; R1324-E1342 IonicContact NH2-OE1 3.71Å; R1324-E1342 PolarHBondContact NH2-OE1 3.07Å; R1324-E1342 IonicContact NH2-OE2 2.61Å; R1324-E1342 PolarHBondContact NH2-OE2 3.42Å; L1327-E1342 HydrophobicContact CD1-CG 4.08Å; V1338-E1342 HydrophobicContact CG1-CG 4.26Å; V1338-E1342 WeakPolarHBondContact CG1-OE1 3.43Å; V1338-E1342 WeakPolarHBondContact O-CB 3.4Å; V1338-E1342 WeakPolarHBondContact O-CG 3.19Å; V1338-E1342 PolarHBondContact O-N 2.84Å; V1339-E1342 PolarHBondContact O-N 3.45Å; E1342-R1346 VanDerWaalsContact O-CB 3.32Å; E1342-R1346 WeakPolarHBondContact O-CB 3.23Å; E1342-R1346 VanDerWaalsContact O-CG 3.25Å; E1342-R1346 WeakPolarHBondContact O-CG 3.42Å; E1342-R1346 PolarHBondContact O-N 3.42Å
1343	E	73.6	Confident	68.1	Low	104 Å²	104	65.8 Å²	65.8	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-68.8	-43	173.5	-75.2	-177.4	177.5	0	0	112	V1339 L1345 R1346 Q1347	V1339-E1343 HydrophobicContact CG1-CG 4.37Å; V1339-E1343 WeakPolarHBondContact O-CB 3.4Å; V1339-E1343 WeakPolarHBondContact O-CG 3.42Å; V1339-E1343 PolarHBondContact O-N 2.85Å; E1343-L1345 VanDerWaalsContact C-N 3.35Å; E1343-L1345 PolarHBondContact O-N 2.97Å; E1343-R1346 PolarHBondContact O-N 3.32Å; E1343-Q1347 WeakPolarHBondContact O-CB 3.46Å; E1343-Q1347 WeakPolarHBondContact O-CG 3.42Å; E1343-Q1347 PolarHBondContact O-N 2.86Å
1344	W	77.4	Confident	67.2	Low	43 Å²	43	64 Å²	64	16%	0.163	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-42.7	173.5	-177.1	87.2	0	0	0	111.3	W1293 Q1294 E1297 L1298 E1340 I1341 Q1347 Q1348	W1293-W1344 HydrophobicContact CH2-CE3 4.11Å; W1293-W1344 HydrophobicContact CH2-CZ3 4.04Å; W1293-W1344 HydrophobicContact CZ3-CE3 4.47Å; W1293-W1344 HydrophobicContact CZ3-CZ3 4.41Å; Q1294-W1344 HydrophobicContact CB-CH2 3.91Å; Q1294-W1344 HydrophobicContact CB-CZ2 3.76Å; Q1294-W1344 HydrophobicContact CG-CH2 3.99Å; Q1294-W1344 HydrophobicContact CG-CZ2 3.7Å; E1297-W1344 HydrophobicContact CB-CH2 4.36Å; E1297-W1344 HydrophobicContact CB-CZ3 4.19Å; E1297-W1344 HydrophobicContact CG-CZ3 4.23Å; L1298-W1344 HydrophobicContact CD1-CH2 4.39Å; L1298-W1344 HydrophobicContact CD1-CZ2 4.23Å; L1298-W1344 HydrophobicContact CG-CH2 4.04Å; L1298-W1344 HydrophobicContact CG-CZ2 4.31Å; E1340-W1344 VanDerWaalsContact O-CB 3.24Å; E1340-W1344 WeakPolarHBondContact O-CB 3.21Å; E1340-W1344 PolarHBondContact O-N 3.43Å; I1341-W1344 PolarHBondContact O-N 3.47Å; W1344-Q1347 PolarHBondContact O-N 2.71Å; W1344-Q1348 HydrophobicContact CD2-CG 3.85Å; W1344-Q1348 HydrophobicContact CE3-CG 4.11Å; W1344-Q1348 HydrophobicContact CG-CG 4.48Å; W1344-Q1348 HydrophobicContact CH2-CG 3.94Å; W1344-Q1348 HydrophobicContact CZ2-CG 3.66Å; W1344-Q1348 HydrophobicContact CZ3-CG 4.16Å; W1344-Q1348 WeakPolarHBondContact O-CG 3.45Å; W1344-Q1348 PolarHBondContact O-N 3.18Å
1345	L	76.8	Confident	66.3	Low	4 Å²	4	63.9 Å²	63.9	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-39.9	175.6	-72.4	170.5	0	0	0	112.3	E1297 L1301 F1316 L1327 I1341 E1343 Q1348 L1349	E1297-L1345 HydrophobicContact CG-CD2 3.88Å; L1301-L1345 HydrophobicContact CD1-CD2 3.89Å; F1316-L1345 HydrophobicContact CZ-CB 4.28Å; L1327-L1345 HydrophobicContact CD1-CD1 3.56Å; L1327-L1345 HydrophobicContact CD2-CD1 3.64Å; L1327-L1345 HydrophobicContact CG-CD1 4.25Å; I1341-L1345 HydrophobicContact CG2-CD1 3.96Å; I1341-L1345 HydrophobicContact CG2-CG 4.45Å; I1341-L1345 WeakPolarHBondContact O-CB 3.41Å; I1341-L1345 WeakPolarHBondContact O-CG 3.48Å; I1341-L1345 PolarHBondContact O-N 2.76Å; E1343-L1345 VanDerWaalsContact C-N 3.35Å; E1343-L1345 PolarHBondContact O-N 2.97Å; L1345-Q1348 PolarHBondContact O-N 3.2Å; L1345-L1349 WeakPolarHBondContact O-CB 3.31Å; L1345-L1349 PolarHBondContact O-N 3.35Å
1346	R	73.8	Confident	65.4	Low	90 Å²	90	60.2 Å²	60.2	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-43.7	172.8	-79.2	169	167.8	176	-1.4	111.4	F1316 E1317 E1342 E1343 L1349 I1350	F1316-R1346 HydrophobicContact CE1-CG 3.84Å; E1317-R1346 IonicContact OE1-CZ 3.68Å; E1317-R1346 IonicContact OE1-NE 3.66Å; E1317-R1346 PolarHBondContact OE1-NE 3.23Å; E1317-R1346 IonicContact OE1-NH2 3.86Å; E1317-R1346 PolarHBondContact OE1-NH2 2.8Å; E1317-R1346 IonicContact OE2-NH2 2.71Å; E1317-R1346 PolarHBondContact OE2-NH2 3.44Å; E1342-R1346 VanDerWaalsContact O-CB 3.32Å; E1342-R1346 WeakPolarHBondContact O-CB 3.23Å; E1342-R1346 VanDerWaalsContact O-CG 3.25Å; E1342-R1346 WeakPolarHBondContact O-CG 3.42Å; E1342-R1346 PolarHBondContact O-N 3.42Å; E1343-R1346 PolarHBondContact O-N 3.32Å; R1346-L1349 PolarHBondContact O-N 2.74Å; R1346-I1350 WeakPolarHBondContact O-CB 3.26Å; R1346-I1350 VanDerWaalsContact O-CG1 3.26Å; R1346-I1350 WeakPolarHBondContact O-CG1 3.45Å; R1346-I1350 PolarHBondContact O-N 2.85Å
1347	Q	71.8	Confident	64.3	Low	112 Å²	112	63 Å²	63	52%	0.523	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-41.8	173.9	-74.2	-179.6	12	0	0	111.6	E1343 W1344 I1350 N1351	E1343-Q1347 WeakPolarHBondContact O-CB 3.46Å; E1343-Q1347 WeakPolarHBondContact O-CG 3.42Å; E1343-Q1347 PolarHBondContact O-N 2.86Å; W1344-Q1347 PolarHBondContact O-N 2.71Å; Q1347-I1350 PolarHBondContact O-N 2.81Å; Q1347-N1351 WeakPolarHBondContact O-CB 3.43Å; Q1347-N1351 PolarHBondContact O-N 2.72Å; Q1347-N1351 PolarHBondContact O-ND2 3.2Å; Q1347-N1351 PolarHBondContact O-OD1 3Å
1348	Q	70.1	Confident	62.7	Low	35 Å²	35	62.6 Å²	62.6	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-30.6	175.8	-63.3	-42.7	-32.4	0	0	112.9	L1298 L1301 W1344 L1345 N1351 L1352	L1298-Q1348 HydrophobicContact CD2-CB 4.21Å; L1298-Q1348 HydrophobicContact CD2-CG 4.08Å; L1301-Q1348 HydrophobicContact CD1-CB 4.06Å; W1344-Q1348 HydrophobicContact CD2-CG 3.85Å; W1344-Q1348 HydrophobicContact CE3-CG 4.11Å; W1344-Q1348 HydrophobicContact CG-CG 4.48Å; W1344-Q1348 HydrophobicContact CH2-CG 3.94Å; W1344-Q1348 HydrophobicContact CZ2-CG 3.66Å; W1344-Q1348 HydrophobicContact CZ3-CG 4.16Å; W1344-Q1348 WeakPolarHBondContact O-CG 3.45Å; W1344-Q1348 PolarHBondContact O-N 3.18Å; L1345-Q1348 PolarHBondContact O-N 3.2Å; Q1348-N1351 PolarHBondContact OE1-ND2 2.71Å; Q1348-L1352 VanDerWaalsContact O-CB 3.26Å; Q1348-L1352 WeakPolarHBondContact O-CB 3.16Å; Q1348-L1352 WeakPolarHBondContact O-CD1 3.35Å; Q1348-L1352 WeakPolarHBondContact O-CG 3.48Å; Q1348-L1352 PolarHBondContact O-N 2.84Å
1349	L	67.3	Low	61	Low	9 Å²	9	67.8 Å²	67.8	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-43.7	169.2	-170.9	86	0	0	0	111.2	F1316 L1345 R1346 L1352 R1353	F1316-L1349 HydrophobicContact CB-CD2 3.92Å; F1316-L1349 HydrophobicContact CD1-CD2 3.64Å; F1316-L1349 HydrophobicContact CD2-CD1 3.68Å; F1316-L1349 HydrophobicContact CD2-CD2 3.86Å; F1316-L1349 HydrophobicContact CD2-CG 4.2Å; F1316-L1349 HydrophobicContact CE1-CB 4.38Å; F1316-L1349 HydrophobicContact CE1-CD2 4.02Å; F1316-L1349 HydrophobicContact CE2-CB 4.1Å; F1316-L1349 HydrophobicContact CE2-CD1 3.91Å; F1316-L1349 HydrophobicContact CE2-CD2 4.23Å; F1316-L1349 HydrophobicContact CE2-CG 4.28Å; F1316-L1349 HydrophobicContact CG-CD1 4.2Å; F1316-L1349 HydrophobicContact CG-CD2 3.52Å; F1316-L1349 HydrophobicContact CG-CG 4.36Å; F1316-L1349 HydrophobicContact CZ-CB 4.01Å; F1316-L1349 HydrophobicContact CZ-CD2 4.29Å; L1345-L1349 WeakPolarHBondContact O-CB 3.31Å; L1345-L1349 PolarHBondContact O-N 3.35Å; R1346-L1349 PolarHBondContact O-N 2.74Å; L1349-L1352 PolarHBondContact O-N 2.93Å; L1349-R1353 WeakPolarHBondContact O-CB 3.49Å; L1349-R1353 PolarHBondContact O-N 3.43Å
1350	I	65.4	Low	59.3	Low	98 Å²	98	66.1 Å²	66.1	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-58.1	-50.9	174.2	-71	164.9	0	0	0	108.9	R1346 Q1347 L1352 R1353 T1354	R1346-I1350 WeakPolarHBondContact O-CB 3.26Å; R1346-I1350 VanDerWaalsContact O-CG1 3.26Å; R1346-I1350 WeakPolarHBondContact O-CG1 3.45Å; R1346-I1350 PolarHBondContact O-N 2.85Å; Q1347-I1350 PolarHBondContact O-N 2.81Å; I1350-L1352 PolarHBondContact O-N 3.48Å; I1350-R1353 CarbonylContact O-C 3.54Å; I1350-R1353 PolarHBondContact O-N 3.05Å; I1350-R1353 VanDerWaalsContact O-N 3.13Å; I1350-T1354 HydrophobicContact CG2-CG2 4.12Å; I1350-T1354 WeakPolarHBondContact O-CB 3.34Å; I1350-T1354 WeakPolarHBondContact O-CG2 3.4Å; I1350-T1354 PolarHBondContact O-N 3.13Å; I1350-T1354 PolarHBondContact O-OG1 3.04Å
1351	N	60.5	Low	57.8	Low	64 Å²	64	67 Å²	67	34%	0.342	34%	0.337	S	S	.	.	H	α-helix	trans	-58.1	-44.5	176	-66	-19.9	0	0	0	112.1	Q1347 Q1348 R1353 T1354 T1355	Q1347-N1351 WeakPolarHBondContact O-CB 3.43Å; Q1347-N1351 PolarHBondContact O-N 2.72Å; Q1347-N1351 PolarHBondContact O-ND2 3.2Å; Q1347-N1351 PolarHBondContact O-OD1 3Å; Q1348-N1351 PolarHBondContact OE1-ND2 2.71Å; N1351-R1353 VanDerWaalsContact C-N 3.31Å; N1351-R1353 PolarHBondContact O-N 3.27Å; N1351-T1354 WeakPolarHBondContact CA-OG1 3.26Å; N1351-T1354 PolarHBondContact O-N 2.97Å; N1351-T1354 PolarHBondContact O-OG1 3.32Å; N1351-T1355 WeakPolarHBondContact O-CA 3.16Å; N1351-T1355 VanDerWaalsContact O-CB 3.23Å; N1351-T1355 WeakPolarHBondContact O-CB 3.22Å; N1351-T1355 VanDerWaalsContact O-CG2 3.31Å; N1351-T1355 WeakPolarHBondContact O-CG2 3.37Å; N1351-T1355 PolarHBondContact O-N 2.92Å; N1351-T1355 PolarHBondContact O-OG1 2.95Å
1352	L	62.5	Low	56.3	Low	26 Å²	26	71.9 Å²	71.9	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-68.3	-29	178.3	-74.1	167.8	0	0	0	112.5	L1301 Q1302 Q1348 L1349 I1350 G1356	L1301-L1352 HydrophobicContact CB-CD1 3.53Å; L1301-L1352 HydrophobicContact CD1-CD1 4.3Å; Q1302-L1352 HydrophobicContact CG-CD2 3.84Å; Q1348-L1352 VanDerWaalsContact O-CB 3.26Å; Q1348-L1352 WeakPolarHBondContact O-CB 3.16Å; Q1348-L1352 WeakPolarHBondContact O-CD1 3.35Å; Q1348-L1352 WeakPolarHBondContact O-CG 3.48Å; Q1348-L1352 PolarHBondContact O-N 2.84Å; L1349-L1352 PolarHBondContact O-N 2.93Å; I1350-L1352 PolarHBondContact O-N 3.48Å; L1352-G1356 WeakPolarHBondContact O-CA 3.29Å; L1352-G1356 PolarHBondContact O-N 2.8Å
1353	R	60.1	Low	54.7	Low	150 Å²	150	73.5 Å²	73.5	57%	0.566	37%	0.372	S	S	*	.	H	α-helix	trans	-76.4	-41.5	171.3	-83.9	-178.9	159.9	-138	-5.8	113.3	L1311 L1349 I1350 N1351	L1311-R1353 PolarHBondContact O-NH2 3.38Å; L1349-R1353 WeakPolarHBondContact O-CB 3.49Å; L1349-R1353 PolarHBondContact O-N 3.43Å; I1350-R1353 CarbonylContact O-C 3.54Å; I1350-R1353 PolarHBondContact O-N 3.05Å; I1350-R1353 VanDerWaalsContact O-N 3.13Å; N1351-R1353 VanDerWaalsContact C-N 3.31Å; N1351-R1353 PolarHBondContact O-N 3.27Å
1354	T	49.2	Very low	53.4	Low	103 Å²	103	70.3 Å²	70.3	63%	0.632	36%	0.361	S	S	*	.	H	α-helix	trans	-83.8	-36.9	-175.7	56.7	0	0	0	0	112.8	I1350 N1351	I1350-T1354 HydrophobicContact CG2-CG2 4.12Å; I1350-T1354 WeakPolarHBondContact O-CB 3.34Å; I1350-T1354 WeakPolarHBondContact O-CG2 3.4Å; I1350-T1354 PolarHBondContact O-N 3.13Å; I1350-T1354 PolarHBondContact O-OG1 3.04Å; N1351-T1354 WeakPolarHBondContact CA-OG1 3.26Å; N1351-T1354 PolarHBondContact O-N 2.97Å; N1351-T1354 PolarHBondContact O-OG1 3.32Å
1355	T	41.2	Very low	52.1	Low	53 Å²	53	74.3 Å²	74.3	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-82.7	-39	175.4	68.4	0	0	0	0	112	N1351 Q1357 V1360	N1351-T1355 WeakPolarHBondContact O-CA 3.16Å; N1351-T1355 VanDerWaalsContact O-CB 3.23Å; N1351-T1355 WeakPolarHBondContact O-CB 3.22Å; N1351-T1355 VanDerWaalsContact O-CG2 3.31Å; N1351-T1355 WeakPolarHBondContact O-CG2 3.37Å; N1351-T1355 PolarHBondContact O-N 2.92Å; N1351-T1355 PolarHBondContact O-OG1 2.95Å; T1355-Q1357 WeakPolarHBondContact O-CA 3.28Å; T1355-Q1357 WeakPolarHBondContact O-CG 3.46Å; T1355-Q1357 PolarHBondContact O-N 3.37Å; T1355-V1360 WeakPolarHBondContact O-CB 3.2Å; T1355-V1360 VanDerWaalsContact O-CG1 3.26Å; T1355-V1360 WeakPolarHBondContact O-CG1 3.32Å
1356	G	36.4	Very low	51.4	Low	25 Å²	25	75 Å²	75	26%	0.258	38%	0.382	S	S	.	.			trans	54.4	14	179.5	0	0	0	0	0	116	L1352 A1358 K1359 V1360	L1352-G1356 WeakPolarHBondContact O-CA 3.29Å; L1352-G1356 PolarHBondContact O-N 2.8Å; G1356-A1358 VanDerWaalsContact C-N 3.29Å; G1356-A1358 PolarHBondContact O-N 3.33Å; G1356-K1359 PolarHBondContact O-N 3.29Å; G1356-V1360 PolarHBondContact O-N 3.04Å
1357	Q	36.8	Very low	51	Low	95 Å²	95	73.2 Å²	73.2	44%	0.444	38%	0.378	S	S	.	.	H	α-helix	trans	-76.5	-2.1	-144.4	-112.1	160.3	-2.5	0	0	117.2	T1355 K1359 V1360 E1361	T1355-Q1357 WeakPolarHBondContact O-CA 3.28Å; T1355-Q1357 WeakPolarHBondContact O-CG 3.46Å; T1355-Q1357 PolarHBondContact O-N 3.37Å; Q1357-K1359 VanDerWaalsContact C-N 3.27Å; Q1357-K1359 PolarHBondContact O-N 3.26Å; Q1357-V1360 HydrophobicContact CG-CB 4.11Å; Q1357-V1360 HydrophobicContact CG-CG1 4.21Å; Q1357-E1361 HydrophobicContact CB-CG 4.45Å; Q1357-E1361 HydrophobicContact CG-CG 4.08Å; Q1357-E1361 WeakPolarHBondContact O-CG 3.48Å; Q1357-E1361 PolarHBondContact O-N 2.96Å; Q1357-E1361 VanDerWaalsContact O-N 3.14Å
1358	A	36.9	Very low	50.4	Low	76 Å²	76	71.2 Å²	71.2	63%	0.628	37%	0.373	S	S	*	.	H	α-helix	trans	-71.4	-19.2	163.5	0	0	0	0	0	113.8	G1356	G1356-A1358 VanDerWaalsContact C-N 3.29Å; G1356-A1358 PolarHBondContact O-N 3.33Å
1359	K	35.2	Very low	50.1	Low	139 Å²	139	75.4 Å²	75.4	60%	0.604	39%	0.392	S	S	*	.	H	α-helix	trans	-112.9	-35.1	165.4	-74.1	178.6	178.8	171.9	0	111.1	N1309 G1356 Q1357 E1361 N1362 L1363	N1309-K1359 PolarHBondContact OD1-NZ 3.32Å; G1356-K1359 PolarHBondContact O-N 3.29Å; Q1357-K1359 VanDerWaalsContact C-N 3.27Å; Q1357-K1359 PolarHBondContact O-N 3.26Å; K1359-E1361 VanDerWaalsContact C-N 3.32Å; K1359-E1361 PolarHBondContact O-N 3.16Å; K1359-N1362 PolarHBondContact O-N 2.94Å; K1359-L1363 PolarHBondContact O-N 3.06Å; K1359-L1363 VanDerWaalsContact O-N 3.08Å
1360	V	36.9	Very low	50	Low	37 Å²	37	75.4 Å²	75.4	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-76.1	-6.4	-175.3	176.7	0	0	0	0	114	T1355 G1356 Q1357 N1362 L1363 S1364	T1355-V1360 WeakPolarHBondContact O-CB 3.2Å; T1355-V1360 VanDerWaalsContact O-CG1 3.26Å; T1355-V1360 WeakPolarHBondContact O-CG1 3.32Å; G1356-V1360 PolarHBondContact O-N 3.04Å; Q1357-V1360 HydrophobicContact CG-CB 4.11Å; Q1357-V1360 HydrophobicContact CG-CG1 4.21Å; V1360-N1362 VanDerWaalsContact C-N 3.33Å; V1360-L1363 HydrophobicContact CB-CB 4.31Å; V1360-L1363 HydrophobicContact CG2-CB 4.17Å; V1360-S1364 WeakPolarHBondContact O-CA 3.33Å; V1360-S1364 WeakPolarHBondContact O-CB 3.47Å; V1360-S1364 PolarHBondContact O-N 2.83Å; V1360-S1364 PolarHBondContact O-OG 3.24Å
1361	E	35.9	Very low	49.9	Very low	127 Å²	127	73.1 Å²	73.1	59%	0.593	38%	0.379	S	S	*	.	H	α-helix	trans	-66.1	-35.5	162.1	-83.8	-167.8	168.9	0	0	112.8	Q1357 K1359 K1365	Q1357-E1361 HydrophobicContact CB-CG 4.45Å; Q1357-E1361 HydrophobicContact CG-CG 4.08Å; Q1357-E1361 WeakPolarHBondContact O-CG 3.48Å; Q1357-E1361 PolarHBondContact O-N 2.96Å; Q1357-E1361 VanDerWaalsContact O-N 3.14Å; K1359-E1361 VanDerWaalsContact C-N 3.32Å; K1359-E1361 PolarHBondContact O-N 3.16Å; E1361-K1365 WeakPolarHBondContact O-CB 3.41Å; E1361-K1365 WeakPolarHBondContact O-CG 3.37Å; E1361-K1365 PolarHBondContact O-N 3.03Å
1362	N	40.8	Very low	50.2	Low	108 Å²	108	75.9 Å²	75.9	58%	0.578	39%	0.39	S	S	*	.	H	α-helix	trans	-81.6	-36.4	172.4	-75.5	-22.7	0	0	0	111.3	K1359 V1360 W1366	K1359-N1362 PolarHBondContact O-N 2.94Å; V1360-N1362 VanDerWaalsContact C-N 3.33Å; N1362-W1366 VanDerWaalsContact O-CB 3.3Å; N1362-W1366 WeakPolarHBondContact O-CB 3.44Å; N1362-W1366 PolarHBondContact O-N 3.07Å
1363	L	39.3	Very low	50.5	Low	46 Å²	46	77.6 Å²	77.6	24%	0.241	40%	0.395	C	S	.	.	H	α-helix	trans	-71	-32.9	178.9	-130.4	157.9	0	0	0	111.7	K1359 V1360 W1366 Q1367 V1410	K1359-L1363 PolarHBondContact O-N 3.06Å; K1359-L1363 VanDerWaalsContact O-N 3.08Å; V1360-L1363 HydrophobicContact CB-CB 4.31Å; V1360-L1363 HydrophobicContact CG2-CB 4.17Å; L1363-W1366 HydrophobicContact CD2-CE3 3.79Å; L1363-W1366 HydrophobicContact CD2-CZ3 3.94Å; L1363-Q1367 HydrophobicContact CD2-CG 4.36Å; L1363-Q1367 WeakPolarHBondContact O-CB 3.29Å; L1363-Q1367 WeakPolarHBondContact O-CG 3.24Å; L1363-Q1367 PolarHBondContact O-N 3.3Å; L1363-V1410 HydrophobicContact CD1-CG2 3.88Å; L1363-V1410 HydrophobicContact CD2-CG2 4.38Å; L1363-V1410 HydrophobicContact CG-CG2 4.05Å
1364	S	47.7	Very low	50.8	Low	36 Å²	36	70.6 Å²	70.6	25%	0.252	37%	0.369	S	S	.	.	H	α-helix	trans	-78.6	-33.5	173.1	77.1	0	0	0	0	112.6	V1360 Q1367 V1368	V1360-S1364 WeakPolarHBondContact O-CA 3.33Å; V1360-S1364 WeakPolarHBondContact O-CB 3.47Å; V1360-S1364 PolarHBondContact O-N 2.83Å; V1360-S1364 PolarHBondContact O-OG 3.24Å; S1364-Q1367 PolarHBondContact O-N 3.07Å; S1364-V1368 VanDerWaalsContact O-CB 3.28Å; S1364-V1368 WeakPolarHBondContact O-CB 3.12Å; S1364-V1368 VanDerWaalsContact O-CG2 3.23Å; S1364-V1368 WeakPolarHBondContact O-CG2 3.29Å; S1364-V1368 PolarHBondContact O-N 2.9Å
1365	K	49.6	Very low	51.2	Low	127 Å²	127	69.6 Å²	69.6	55%	0.552	36%	0.358	S	S	*	.	H	α-helix	trans	-62	-46.7	166.9	-82.7	177.1	178.1	170.3	0	111.3	E1361 V1368 E1369	E1361-K1365 WeakPolarHBondContact O-CB 3.41Å; E1361-K1365 WeakPolarHBondContact O-CG 3.37Å; E1361-K1365 PolarHBondContact O-N 3.03Å; K1365-V1368 PolarHBondContact O-N 2.89Å; K1365-E1369 VanDerWaalsContact O-CB 3.31Å; K1365-E1369 WeakPolarHBondContact O-CB 3.3Å; K1365-E1369 VanDerWaalsContact O-CG 3.32Å; K1365-E1369 WeakPolarHBondContact O-CG 3.46Å; K1365-E1369 PolarHBondContact O-N 3.01Å
1366	W	62.8	Low	52.3	Low	20 Å²	20	72.5 Å²	72.5	8%	0.076	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-43.1	174.1	170.9	73.2	0	0	0	111.9	N1362 L1363 V1368 E1369 E1370 V1415 W1418	N1362-W1366 VanDerWaalsContact O-CB 3.3Å; N1362-W1366 WeakPolarHBondContact O-CB 3.44Å; N1362-W1366 PolarHBondContact O-N 3.07Å; L1363-W1366 HydrophobicContact CD2-CE3 3.79Å; L1363-W1366 HydrophobicContact CD2-CZ3 3.94Å; W1366-V1368 PolarHBondContact O-N 3.28Å; W1366-E1369 PolarHBondContact O-N 3.06Å; W1366-E1370 WeakPolarHBondContact O-CB 3.07Å; W1366-E1370 PolarHBondContact O-N 2.74Å; W1366-V1415 HydrophobicContact CH2-CB 4.34Å; W1366-V1415 HydrophobicContact CH2-CG1 3.93Å; W1366-V1415 HydrophobicContact CH2-CG2 3.87Å; W1366-V1415 HydrophobicContact CZ2-CG1 3.95Å; W1366-V1415 HydrophobicContact CZ2-CG2 4.24Å; W1366-W1418 AromaticContact CH2-CE3 3.9Å; W1366-W1418 HydrophobicContact CH2-CE3 3.9Å; W1366-W1418 HydrophobicContact CH2-CZ3 4.06Å; W1366-W1418 HydrophobicContact CZ3-CE3 4.29Å; W1366-W1418 HydrophobicContact CZ3-CZ3 4.45Å
1367	Q	63.7	Low	53.6	Low	52 Å²	52	72.1 Å²	72.1	24%	0.243	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-37.9	174.4	-77.4	172	-40.3	0	0	112.3	L1363 S1364 Q1371 W1418	L1363-Q1367 HydrophobicContact CD2-CG 4.36Å; L1363-Q1367 WeakPolarHBondContact O-CB 3.29Å; L1363-Q1367 WeakPolarHBondContact O-CG 3.24Å; L1363-Q1367 PolarHBondContact O-N 3.3Å; S1364-Q1367 PolarHBondContact O-N 3.07Å; Q1367-Q1371 WeakPolarHBondContact O-CA 3.25Å; Q1367-Q1371 WeakPolarHBondContact O-CB 3.17Å; Q1367-Q1371 WeakPolarHBondContact O-CG 3.2Å; Q1367-Q1371 PolarHBondContact O-N 3.06Å; Q1367-Q1371 PolarHBondContact O-OE1 3.15Å; Q1367-W1418 HydrophobicContact CB-CH2 4.17Å; Q1367-W1418 HydrophobicContact CB-CZ2 3.77Å; Q1367-W1418 HydrophobicContact CG-CD2 4.38Å; Q1367-W1418 HydrophobicContact CG-CH2 4.11Å; Q1367-W1418 HydrophobicContact CG-CZ2 3.64Å
1368	V	60.1	Low	54.5	Low	69 Å²	69	68.3 Å²	68.3	42%	0.418	34%	0.343	S	S	.	.	H	α-helix	trans	-74.7	-39	177.8	168.2	0	0	0	0	111.7	S1364 K1365 W1366 Q1372	S1364-V1368 VanDerWaalsContact O-CB 3.28Å; S1364-V1368 WeakPolarHBondContact O-CB 3.12Å; S1364-V1368 VanDerWaalsContact O-CG2 3.23Å; S1364-V1368 WeakPolarHBondContact O-CG2 3.29Å; S1364-V1368 PolarHBondContact O-N 2.9Å; K1365-V1368 PolarHBondContact O-N 2.89Å; W1366-V1368 PolarHBondContact O-N 3.28Å; V1368-Q1372 VanDerWaalsContact O-CB 3.23Å; V1368-Q1372 WeakPolarHBondContact O-CB 3.27Å; V1368-Q1372 VanDerWaalsContact O-CG 3.22Å; V1368-Q1372 WeakPolarHBondContact O-CG 3.5Å; V1368-Q1372 PolarHBondContact O-N 3.17Å
1369	E	63.4	Low	55.2	Low	124 Å²	124	69.6 Å²	69.6	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-68.4	-40	174.5	-74.1	174.5	-163.5	0	0	111.3	K1365 W1366 R1373	K1365-E1369 VanDerWaalsContact O-CB 3.31Å; K1365-E1369 WeakPolarHBondContact O-CB 3.3Å; K1365-E1369 VanDerWaalsContact O-CG 3.32Å; K1365-E1369 WeakPolarHBondContact O-CG 3.46Å; K1365-E1369 PolarHBondContact O-N 3.01Å; W1366-E1369 PolarHBondContact O-N 3.06Å; E1369-R1373 VanDerWaalsContact O-CB 3.29Å; E1369-R1373 WeakPolarHBondContact O-CB 3.46Å; E1369-R1373 PolarHBondContact O-N 3.04Å
1370	E	65.3	Low	56.2	Low	9 Å²	9	69.1 Å²	69.1	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-80.3	-25.4	176.9	-153.2	75.3	-139	0	0	111.9	W1366 R1373 L1374 R1400 W1418	W1366-E1370 WeakPolarHBondContact O-CB 3.07Å; W1366-E1370 PolarHBondContact O-N 2.74Å; E1370-R1373 WeakPolarHBondContact OE1-CD 3.2Å; E1370-R1373 IonicContact OE1-CZ 3.96Å; E1370-R1373 IonicContact OE1-NE 3.31Å; E1370-R1373 IonicContact OE1-NH1 3.49Å; E1370-R1373 PolarHBondContact OE1-NH1 3.03Å; E1370-L1374 VanDerWaalsContact O-CB 3.27Å; E1370-L1374 WeakPolarHBondContact O-CB 3.33Å; E1370-L1374 WeakPolarHBondContact O-CG 3.4Å; E1370-L1374 PolarHBondContact O-N 3.45Å; E1370-R1400 IonicContact OE1-CZ 3.3Å; E1370-R1400 IonicContact OE1-NE 3.88Å; E1370-R1400 IonicContact OE1-NH2 2.62Å; E1370-R1400 PolarHBondContact OE1-NH2 2.9Å; E1370-R1400 IonicContact OE2-CZ 2.65Å; E1370-R1400 IonicContact OE2-NE 2.71Å; E1370-R1400 IonicContact OE2-NH2 3.15Å; E1370-R1400 PolarHBondContact OE2-NH2 3.05Å; E1370-W1418 HydrophobicContact CB-CH2 4.44Å; E1370-W1418 HydrophobicContact CB-CZ3 4.4Å
1371	Q	63.8	Low	56.7	Low	49 Å²	49	69.4 Å²	69.4	23%	0.229	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-45.7	164.1	-86.4	168.1	-30.7	0	0	110.7	Q1367 R1373 L1374 I1375 W1418 E1422	Q1367-Q1371 WeakPolarHBondContact O-CA 3.25Å; Q1367-Q1371 WeakPolarHBondContact O-CB 3.17Å; Q1367-Q1371 WeakPolarHBondContact O-CG 3.2Å; Q1367-Q1371 PolarHBondContact O-N 3.06Å; Q1367-Q1371 PolarHBondContact O-OE1 3.15Å; Q1371-R1373 VanDerWaalsContact C-N 3.27Å; Q1371-R1373 PolarHBondContact O-N 2.87Å; Q1371-L1374 WeakPolarHBondContact O-CB 3.37Å; Q1371-L1374 PolarHBondContact O-N 3.05Å; Q1371-I1375 VanDerWaalsContact O-CB 3.3Å; Q1371-I1375 WeakPolarHBondContact O-CB 3.36Å; Q1371-I1375 WeakPolarHBondContact O-CD1 3.25Å; Q1371-I1375 WeakPolarHBondContact O-CG1 3.18Å; Q1371-I1375 PolarHBondContact O-N 2.89Å; Q1371-W1418 HydrophobicContact CG-CH2 3.99Å; Q1371-W1418 HydrophobicContact CG-CZ2 3.84Å; Q1371-E1422 HydrophobicContact CG-CG 4.43Å; Q1371-E1422 PolarHBondContact NE2-OE1 2.73Å
1372	Q	66.6	Low	57.1	Low	122 Å²	122	71 Å²	71	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-61.2	-39.5	174.3	-80.4	177.6	-15.6	0	0	110.5	V1368 I1375 E1376	V1368-Q1372 VanDerWaalsContact O-CB 3.23Å; V1368-Q1372 WeakPolarHBondContact O-CB 3.27Å; V1368-Q1372 VanDerWaalsContact O-CG 3.22Å; V1368-Q1372 WeakPolarHBondContact O-CG 3.5Å; V1368-Q1372 PolarHBondContact O-N 3.17Å; Q1372-I1375 PolarHBondContact O-N 3.23Å; Q1372-E1376 WeakPolarHBondContact O-CB 3.48Å; Q1372-E1376 WeakPolarHBondContact O-CG 3.46Å; Q1372-E1376 PolarHBondContact O-N 2.93Å
1373	R	69.7	Low	57.2	Low	62 Å²	62	71.6 Å²	71.6	23%	0.234	34%	0.342	C	S	.	.	H	α-helix	trans	-68.2	-40.5	173.1	-172.2	177.4	175.8	-112.7	-4	113	E1369 E1370 Q1371 I1375 E1376 M1377 D1397	E1369-R1373 VanDerWaalsContact O-CB 3.29Å; E1369-R1373 WeakPolarHBondContact O-CB 3.46Å; E1369-R1373 PolarHBondContact O-N 3.04Å; E1370-R1373 WeakPolarHBondContact OE1-CD 3.2Å; E1370-R1373 IonicContact OE1-CZ 3.96Å; E1370-R1373 IonicContact OE1-NE 3.31Å; E1370-R1373 IonicContact OE1-NH1 3.49Å; E1370-R1373 PolarHBondContact OE1-NH1 3.03Å; Q1371-R1373 VanDerWaalsContact C-N 3.27Å; Q1371-R1373 PolarHBondContact O-N 2.87Å; R1373-I1375 VanDerWaalsContact C-N 3.33Å; R1373-E1376 PolarHBondContact O-N 3.16Å; R1373-M1377 WeakPolarHBondContact O-CB 3.12Å; R1373-M1377 PolarHBondContact O-N 3.22Å; R1373-D1397 IonicContact CZ-OD1 3.43Å; R1373-D1397 IonicContact CZ-OD2 3.69Å; R1373-D1397 IonicContact NH1-OD1 2.7Å; R1373-D1397 IonicContact NH1-OD2 3.72Å; R1373-D1397 PolarHBondContact NH1-OD2 3.4Å; R1373-D1397 IonicContact NH2-OD1 3.32Å; R1373-D1397 PolarHBondContact NH2-OD1 2.96Å; R1373-D1397 IonicContact NH2-OD2 2.8Å; R1373-D1397 PolarHBondContact NH2-OD2 3.33Å
1374	L	64.8	Low	57.6	Low	4 Å²	4	73.8 Å²	73.8	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-47.9	170.6	-95.8	160.2	0	0	0	109.9	E1370 Q1371 M1377 L1378 W1418 L1419 L1423	E1370-L1374 VanDerWaalsContact O-CB 3.27Å; E1370-L1374 WeakPolarHBondContact O-CB 3.33Å; E1370-L1374 WeakPolarHBondContact O-CG 3.4Å; E1370-L1374 PolarHBondContact O-N 3.45Å; Q1371-L1374 WeakPolarHBondContact O-CB 3.37Å; Q1371-L1374 PolarHBondContact O-N 3.05Å; L1374-M1377 HydrophobicContact CD2-CE 4.07Å; L1374-M1377 CarbonylContact O-C 3.29Å; L1374-M1377 PolarHBondContact O-N 2.84Å; L1374-L1378 HydrophobicContact CB-CD1 4.38Å; L1374-L1378 HydrophobicContact CD2-CD1 4.18Å; L1374-L1378 WeakPolarHBondContact O-CB 3.23Å; L1374-L1378 VanDerWaalsContact O-CD1 3.29Å; L1374-L1378 WeakPolarHBondContact O-CD1 3.33Å; L1374-L1378 WeakPolarHBondContact O-CG 3.36Å; L1374-L1378 PolarHBondContact O-N 2.88Å; L1374-W1418 HydrophobicContact CD1-CH2 4.48Å; L1374-L1419 HydrophobicContact CD1-CD2 3.87Å; L1374-L1419 HydrophobicContact CD2-CD2 4.07Å; L1374-L1419 HydrophobicContact CG-CD2 4.27Å; L1374-L1423 HydrophobicContact CD2-CD2 4.11Å; L1374-L1423 HydrophobicContact CD2-CG 4.46Å
1375	I	58	Low	57.4	Low	81 Å²	81	73.9 Å²	73.9	42%	0.415	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-42.8	179.3	-70.2	163.8	0	0	0	110.7	Q1371 Q1372 R1373 L1378 L1379	Q1371-I1375 VanDerWaalsContact O-CB 3.3Å; Q1371-I1375 WeakPolarHBondContact O-CB 3.36Å; Q1371-I1375 WeakPolarHBondContact O-CD1 3.25Å; Q1371-I1375 WeakPolarHBondContact O-CG1 3.18Å; Q1371-I1375 PolarHBondContact O-N 2.89Å; Q1372-I1375 PolarHBondContact O-N 3.23Å; R1373-I1375 VanDerWaalsContact C-N 3.33Å; I1375-L1378 PolarHBondContact O-N 3.5Å; I1375-L1379 HydrophobicContact CG2-CD1 3.79Å; I1375-L1379 HydrophobicContact CG2-CG 4.36Å; I1375-L1379 VanDerWaalsContact O-CB 3.25Å; I1375-L1379 WeakPolarHBondContact O-CB 3.27Å; I1375-L1379 WeakPolarHBondContact O-CD1 3.32Å; I1375-L1379 WeakPolarHBondContact O-CG 3.14Å; I1375-L1379 PolarHBondContact O-N 3.18Å
1376	E	64.4	Low	57.4	Low	115 Å²	115	70.7 Å²	70.7	54%	0.537	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-43.1	171.1	-80.8	-161.2	161.6	0	0	112.3	Q1372 R1373 L1378 L1379 K1380	Q1372-E1376 WeakPolarHBondContact O-CB 3.48Å; Q1372-E1376 WeakPolarHBondContact O-CG 3.46Å; Q1372-E1376 PolarHBondContact O-N 2.93Å; R1373-E1376 PolarHBondContact O-N 3.16Å; E1376-L1378 VanDerWaalsContact C-N 3.32Å; E1376-L1379 PolarHBondContact O-N 3.45Å; E1376-K1380 WeakPolarHBondContact O-CB 3.45Å; E1376-K1380 VanDerWaalsContact O-CG 3.28Å; E1376-K1380 WeakPolarHBondContact O-CG 3.19Å; E1376-K1380 PolarHBondContact O-N 2.98Å; E1376-K1380 IonicContact OE2-NZ 2.7Å
1377	M	63.5	Low	56.6	Low	16 Å²	16	75.2 Å²	75.2	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-68.9	-33.1	179.7	-174.7	169.2	61.1	0	0	111.1	R1373 L1374 K1381 V1390 L1394	R1373-M1377 WeakPolarHBondContact O-CB 3.12Å; R1373-M1377 PolarHBondContact O-N 3.22Å; L1374-M1377 HydrophobicContact CD2-CE 4.07Å; L1374-M1377 CarbonylContact O-C 3.29Å; L1374-M1377 PolarHBondContact O-N 2.84Å; M1377-K1381 WeakPolarHBondContact O-CB 3.38Å; M1377-K1381 PolarHBondContact O-N 3.3Å; M1377-V1390 HydrophobicContact CE-CG1 4.23Å; M1377-V1390 HydrophobicContact SD-CG1 4.35Å; M1377-L1394 HydrophobicContact CE-CD2 3.89Å; M1377-L1394 HydrophobicContact CE-CG 4.27Å
1378	L	56.7	Low	56.1	Low	16 Å²	16	78.5 Å²	78.5	8%	0.084	37%	0.373	C	S	.	.	H	α-helix	trans	-79.7	-32.8	176.1	-69.1	162.8	0	0	0	112.2	L1374 I1375 E1376 K1381 Q1382 L1423 L1426 V1432	L1374-L1378 HydrophobicContact CB-CD1 4.38Å; L1374-L1378 HydrophobicContact CD2-CD1 4.18Å; L1374-L1378 WeakPolarHBondContact O-CB 3.23Å; L1374-L1378 VanDerWaalsContact O-CD1 3.29Å; L1374-L1378 WeakPolarHBondContact O-CD1 3.33Å; L1374-L1378 WeakPolarHBondContact O-CG 3.36Å; L1374-L1378 PolarHBondContact O-N 2.88Å; I1375-L1378 PolarHBondContact O-N 3.5Å; E1376-L1378 VanDerWaalsContact C-N 3.32Å; L1378-K1381 HydrophobicContact CD2-CD 3.94Å; L1378-K1381 CarbonylContact O-C 3.59Å; L1378-K1381 WeakPolarHBondContact O-CA 3.18Å; L1378-K1381 VanDerWaalsContact O-CB 3.28Å; L1378-K1381 WeakPolarHBondContact O-CB 3.14Å; L1378-K1381 PolarHBondContact O-N 2.97Å; L1378-Q1382 PolarHBondContact O-N 3.37Å; L1378-L1423 HydrophobicContact CD1-CD2 4.45Å; L1378-L1426 HydrophobicContact CD1-CD1 3.86Å; L1378-V1432 HydrophobicContact CD1-CG2 4.17Å; L1378-V1432 HydrophobicContact CD2-CG1 4.01Å
1379	L	51	Low	55.9	Low	102 Å²	102	79.5 Å²	79.5	53%	0.534	37%	0.373	S	S	.	.	H	α-helix	trans	-66.7	-41.5	167.6	-75.2	165.2	0	0	0	111	I1375 E1376 K1381 Q1382	I1375-L1379 HydrophobicContact CG2-CD1 3.79Å; I1375-L1379 HydrophobicContact CG2-CG 4.36Å; I1375-L1379 VanDerWaalsContact O-CB 3.25Å; I1375-L1379 WeakPolarHBondContact O-CB 3.27Å; I1375-L1379 WeakPolarHBondContact O-CD1 3.32Å; I1375-L1379 WeakPolarHBondContact O-CG 3.14Å; I1375-L1379 PolarHBondContact O-N 3.18Å; E1376-L1379 PolarHBondContact O-N 3.45Å; L1379-K1381 VanDerWaalsContact C-N 3.29Å; L1379-K1381 PolarHBondContact O-N 3.17Å; L1379-Q1382 WeakPolarHBondContact O-CB 3.48Å; L1379-Q1382 PolarHBondContact O-N 3.23Å; L1379-Q1382 VanDerWaalsContact O-N 3.13Å
1380	K	56.8	Low	55.4	Low	129 Å²	129	73.8 Å²	73.8	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-34	167.8	-74.4	166.7	-179.7	160.9	0	112.1	E1376 Q1382 Q1383 E1384	E1376-K1380 WeakPolarHBondContact O-CB 3.45Å; E1376-K1380 VanDerWaalsContact O-CG 3.28Å; E1376-K1380 WeakPolarHBondContact O-CG 3.19Å; E1376-K1380 PolarHBondContact O-N 2.98Å; E1376-K1380 IonicContact OE2-NZ 2.7Å; K1380-Q1382 PolarHBondContact O-N 2.97Å; K1380-Q1383 PolarHBondContact O-N 2.91Å; K1380-E1384 PolarHBondContact O-N 3.32Å; K1380-E1384 VanDerWaalsContact O-N 3.09Å
1381	K	47.2	Very low	54.8	Low	43 Å²	43	78.1 Å²	78.1	19%	0.187	37%	0.367	C	S	.	.	H	α-helix	trans	-67.2	-22.6	172.9	-147.2	179.3	-170.8	172.3	0	112.9	M1377 L1378 L1379 Q1383 M1385 V1390	M1377-K1381 WeakPolarHBondContact O-CB 3.38Å; M1377-K1381 PolarHBondContact O-N 3.3Å; L1378-K1381 HydrophobicContact CD2-CD 3.94Å; L1378-K1381 CarbonylContact O-C 3.59Å; L1378-K1381 WeakPolarHBondContact O-CA 3.18Å; L1378-K1381 VanDerWaalsContact O-CB 3.28Å; L1378-K1381 WeakPolarHBondContact O-CB 3.14Å; L1378-K1381 PolarHBondContact O-N 2.97Å; L1379-K1381 VanDerWaalsContact C-N 3.29Å; L1379-K1381 PolarHBondContact O-N 3.17Å; K1381-Q1383 PolarHBondContact O-N 3.45Å; K1381-M1385 HydrophobicContact CG-CB 4.28Å; K1381-M1385 WeakPolarHBondContact CG-O 3.41Å; K1381-V1390 HydrophobicContact CD-CB 4.34Å; K1381-V1390 HydrophobicContact CD-CG2 3.77Å; K1381-V1390 HydrophobicContact CG-CG2 4.04Å
1382	Q	43.3	Very low	54.6	Low	161 Å²	161	81.9 Å²	81.9	75%	0.752	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.5	169.4	-145.6	175.2	37.7	0	0	112.6	L1378 L1379 K1380	L1378-Q1382 PolarHBondContact O-N 3.37Å; L1379-Q1382 WeakPolarHBondContact O-CB 3.48Å; L1379-Q1382 PolarHBondContact O-N 3.23Å; L1379-Q1382 VanDerWaalsContact O-N 3.13Å; K1380-Q1382 PolarHBondContact O-N 2.97Å
1383	Q	43.6	Very low	54.4	Low	121 Å²	121	80 Å²	80	57%	0.565	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-57.4	176.6	-67.6	-172.3	-24.4	0	0	113.5	K1380 K1381 L1502	K1380-Q1383 PolarHBondContact O-N 2.91Å; K1381-Q1383 PolarHBondContact O-N 3.45Å; Q1383-L1502 HydrophobicContact CB-CD2 3.7Å; Q1383-L1502 HydrophobicContact CG-CD2 4.07Å
1384	E	47.4	Very low	53.7	Low	91 Å²	91	78.7 Å²	78.7	43%	0.425	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-18.7	-161.1	-59.1	-164.9	141.7	0	0	118.9	K1380 L1502 I1503	K1380-E1384 PolarHBondContact O-N 3.32Å; K1380-E1384 VanDerWaalsContact O-N 3.09Å; E1384-L1502 HydrophobicContact CG-CD2 4.12Å; E1384-I1503 HydrophobicContact CB-CD1 4.33Å; E1384-I1503 HydrophobicContact CB-CG1 4.02Å; E1384-I1503 HydrophobicContact CG-CG1 3.8Å
1385	M	43.5	Very low	53.6	Low	38 Å²	38	83.2 Å²	83.2	19%	0.187	40%	0.396	C	S	.	.			trans	-106.5	117.5	-163.6	-78.1	-83.3	-81.7	0	0	115.9	K1381 Q1389 V1390 E1393	K1381-M1385 HydrophobicContact CG-CB 4.28Å; K1381-M1385 WeakPolarHBondContact CG-O 3.41Å; M1385-Q1389 HydrophobicContact CE-CB 4.11Å; M1385-Q1389 HydrophobicContact CE-CG 3.8Å; M1385-Q1389 WeakPolarHBondContact CE-O 3.27Å; M1385-Q1389 HydrophobicContact SD-CB 4.06Å; M1385-Q1389 HydrophobicContact SD-CG 3.64Å; M1385-V1390 HydrophobicContact CB-CG2 3.95Å; M1385-V1390 HydrophobicContact CE-CG2 4.11Å; M1385-E1393 HydrophobicContact CE-CG 3.73Å; M1385-E1393 WeakPolarHBondContact CE-OE2 3.2Å
1386	P	50.8	Low	53.9	Low	60 Å²	60	86.4 Å²	86.4	39%	0.39	41%	0.409	S	S	.	.			trans	-68.2	161.4	176.4	24.5	-29.6	0	0	0	113.2	E1388 Q1389 V1390	P1386-E1388 PolarHBondContact O-N 3.2Å; P1386-Q1389 HydrophobicContact CG-CB 3.82Å; P1386-Q1389 WeakPolarHBondContact O-CA 3.28Å; P1386-Q1389 WeakPolarHBondContact O-CB 3.37Å; P1386-Q1389 PolarHBondContact O-N 3.27Å; P1386-V1390 PolarHBondContact O-N 3.12Å; P1386-V1390 VanDerWaalsContact O-N 3.14Å
1387	Y	44.8	Very low	53.8	Low	115 Å²	115	81.9 Å²	81.9	45%	0.451	39%	0.388	S	S	.	.	H	α-helix	trans	-56.5	-49.3	-172.2	-168.1	-84.9	0	0	0	112.9	Q1389 V1390 E1391 I1434	Y1387-Q1389 PolarHBondContact O-N 3.19Å; Y1387-V1390 PolarHBondContact O-N 2.84Å; Y1387-E1391 HydrophobicContact CD1-CG 4.06Å; Y1387-E1391 VanDerWaalsContact CE1-CD 3.42Å; Y1387-E1391 HydrophobicContact CE1-CG 3.81Å; Y1387-E1391 WeakPolarHBondContact CE1-OE1 3.33Å; Y1387-E1391 PolarHBondContact O-N 3.41Å; Y1387-I1434 HydrophobicContact CD2-CG2 3.84Å; Y1387-I1434 HydrophobicContact CE2-CD1 4.13Å; Y1387-I1434 HydrophobicContact CE2-CG2 4.05Å
1388	E	53.6	Low	53.8	Low	122 Å²	122	84.5 Å²	84.5	57%	0.57	40%	0.4	S	S	*	.	H	α-helix	trans	-57.9	-28.3	174.6	-65	-175.9	-156.8	0	0	113.4	P1386 E1391 R1392	P1386-E1388 PolarHBondContact O-N 3.2Å; E1388-E1391 PolarHBondContact O-N 2.92Å; E1388-R1392 WeakPolarHBondContact O-CB 3.25Å; E1388-R1392 WeakPolarHBondContact O-CG 3.38Å; E1388-R1392 PolarHBondContact O-N 3.26Å; E1388-R1392 IonicContact OE2-CZ 3.79Å; E1388-R1392 IonicContact OE2-NH2 2.63Å; E1388-R1392 PolarHBondContact OE2-NH2 3.29Å
1389	Q	56.5	Low	54	Low	89 Å²	89	86.8 Å²	86.8	42%	0.416	42%	0.421	S	S	.	.	H	α-helix	trans	-84.5	-25.7	-176.3	-156.5	167.3	-20	0	0	111.7	M1385 P1386 Y1387 R1392 E1393	M1385-Q1389 HydrophobicContact CE-CB 4.11Å; M1385-Q1389 HydrophobicContact CE-CG 3.8Å; M1385-Q1389 WeakPolarHBondContact CE-O 3.27Å; M1385-Q1389 HydrophobicContact SD-CB 4.06Å; M1385-Q1389 HydrophobicContact SD-CG 3.64Å; P1386-Q1389 HydrophobicContact CG-CB 3.82Å; P1386-Q1389 WeakPolarHBondContact O-CA 3.28Å; P1386-Q1389 WeakPolarHBondContact O-CB 3.37Å; P1386-Q1389 PolarHBondContact O-N 3.27Å; Y1387-Q1389 PolarHBondContact O-N 3.19Å; Q1389-R1392 PolarHBondContact O-N 3.17Å; Q1389-E1393 PolarHBondContact O-N 2.93Å
1390	V	51.6	Low	54.7	Low	5 Å²	5	86.4 Å²	86.4	3%	0.03	41%	0.413	C	S	.	.	H	α-helix	trans	-78	-30.7	163.3	171.2	0	0	0	0	111.8	M1377 K1381 M1385 P1386 Y1387 R1392 E1393 L1394	M1377-V1390 HydrophobicContact CE-CG1 4.23Å; M1377-V1390 HydrophobicContact SD-CG1 4.35Å; K1381-V1390 HydrophobicContact CD-CB 4.34Å; K1381-V1390 HydrophobicContact CD-CG2 3.77Å; K1381-V1390 HydrophobicContact CG-CG2 4.04Å; M1385-V1390 HydrophobicContact CB-CG2 3.95Å; M1385-V1390 HydrophobicContact CE-CG2 4.11Å; P1386-V1390 PolarHBondContact O-N 3.12Å; P1386-V1390 VanDerWaalsContact O-N 3.14Å; Y1387-V1390 PolarHBondContact O-N 2.84Å; V1390-R1392 VanDerWaalsContact C-N 3.28Å; V1390-R1392 PolarHBondContact O-N 3.05Å; V1390-E1393 PolarHBondContact O-N 2.77Å; V1390-L1394 HydrophobicContact CG1-CD1 4Å; V1390-L1394 HydrophobicContact CG1-CG 4.29Å; V1390-L1394 VanDerWaalsContact O-CB 3.25Å; V1390-L1394 WeakPolarHBondContact O-CB 3.45Å; V1390-L1394 WeakPolarHBondContact O-CG 2.98Å; V1390-L1394 PolarHBondContact O-N 3.1Å
1391	E	53.3	Low	55	Low	99 Å²	99	80.7 Å²	80.7	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-33.5	165.6	-73	-172.8	138.5	0	0	111.7	Y1387 E1388 T1395	Y1387-E1391 HydrophobicContact CD1-CG 4.06Å; Y1387-E1391 VanDerWaalsContact CE1-CD 3.42Å; Y1387-E1391 HydrophobicContact CE1-CG 3.81Å; Y1387-E1391 WeakPolarHBondContact CE1-OE1 3.33Å; Y1387-E1391 PolarHBondContact O-N 3.41Å; E1388-E1391 PolarHBondContact O-N 2.92Å; E1391-T1395 WeakPolarHBondContact O-CB 3.42Å; E1391-T1395 WeakPolarHBondContact O-CG2 3.45Å; E1391-T1395 PolarHBondContact O-N 3.39Å; E1391-T1395 PolarHBondContact O-OG1 2.91Å
1392	R	60.9	Low	55.8	Low	129 Å²	129	82.9 Å²	82.9	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-71.5	-38.1	171.7	-71.5	167.1	-148.6	179.2	4.9	112.8	E1388 Q1389 V1390 T1395 Q1396	E1388-R1392 WeakPolarHBondContact O-CB 3.25Å; E1388-R1392 WeakPolarHBondContact O-CG 3.38Å; E1388-R1392 PolarHBondContact O-N 3.26Å; E1388-R1392 IonicContact OE2-CZ 3.79Å; E1388-R1392 IonicContact OE2-NH2 2.63Å; E1388-R1392 PolarHBondContact OE2-NH2 3.29Å; Q1389-R1392 PolarHBondContact O-N 3.17Å; V1390-R1392 VanDerWaalsContact C-N 3.28Å; V1390-R1392 PolarHBondContact O-N 3.05Å; R1392-T1395 WeakPolarHBondContact CA-OG1 3.47Å; R1392-T1395 PolarHBondContact O-N 2.97Å; R1392-T1395 PolarHBondContact O-OG1 2.9Å; R1392-Q1396 WeakPolarHBondContact O-CB 3.31Å; R1392-Q1396 VanDerWaalsContact O-CG 3.24Å; R1392-Q1396 WeakPolarHBondContact O-CG 3.15Å; R1392-Q1396 PolarHBondContact O-N 2.91Å
1393	E	60.7	Low	56.8	Low	82 Å²	82	78 Å²	78	38%	0.383	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-43	171	-82.4	-169.9	157.2	0	0	111.4	M1385 Q1389 V1390 T1395 Q1396 D1397	M1385-E1393 HydrophobicContact CE-CG 3.73Å; M1385-E1393 WeakPolarHBondContact CE-OE2 3.2Å; Q1389-E1393 PolarHBondContact O-N 2.93Å; V1390-E1393 PolarHBondContact O-N 2.77Å; E1393-T1395 VanDerWaalsContact C-N 3.32Å; E1393-T1395 PolarHBondContact O-N 3.38Å; E1393-Q1396 PolarHBondContact O-N 2.81Å; E1393-D1397 VanDerWaalsContact O-CB 3.23Å; E1393-D1397 WeakPolarHBondContact O-CB 3.34Å; E1393-D1397 PolarHBondContact O-N 3.46Å
1394	L	56.7	Low	57.5	Low	35 Å²	35	74 Å²	74	18%	0.183	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-34.1	174.4	-73.4	168.7	0	0	0	112.7	M1377 V1390 D1397 H1398 L1419 L1423	M1377-L1394 HydrophobicContact CE-CD2 3.89Å; M1377-L1394 HydrophobicContact CE-CG 4.27Å; V1390-L1394 HydrophobicContact CG1-CD1 4Å; V1390-L1394 HydrophobicContact CG1-CG 4.29Å; V1390-L1394 VanDerWaalsContact O-CB 3.25Å; V1390-L1394 WeakPolarHBondContact O-CB 3.45Å; V1390-L1394 WeakPolarHBondContact O-CG 2.98Å; V1390-L1394 PolarHBondContact O-N 3.1Å; L1394-D1397 CarbonylContact O-C 3.56Å; L1394-H1398 PolarHBondContact O-N 2.93Å; L1394-L1419 HydrophobicContact CD2-CD2 3.92Å; L1394-L1423 HydrophobicContact CD1-CD1 4.34Å
1395	T	60.8	Low	58	Low	99 Å²	99	70.2 Å²	70.2	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-84.3	-20.2	175.2	50.8	0	0	0	0	114.2	E1391 R1392 E1393 H1398	E1391-T1395 WeakPolarHBondContact O-CB 3.42Å; E1391-T1395 WeakPolarHBondContact O-CG2 3.45Å; E1391-T1395 PolarHBondContact O-N 3.39Å; E1391-T1395 PolarHBondContact O-OG1 2.91Å; R1392-T1395 WeakPolarHBondContact CA-OG1 3.47Å; R1392-T1395 PolarHBondContact O-N 2.97Å; R1392-T1395 PolarHBondContact O-OG1 2.9Å; E1393-T1395 VanDerWaalsContact C-N 3.32Å; E1393-T1395 PolarHBondContact O-N 3.38Å; T1395-H1398 WeakPolarHBondContact O-CB 3.36Å; T1395-H1398 PolarHBondContact O-N 3.2Å
1396	Q	64.3	Low	58.8	Low	148 Å²	148	75.1 Å²	75.1	69%	0.692	37%	0.371	S	S	*	.	H	α-helix	trans	-75	-41.3	163.7	-75.6	176.8	12	0	0	110.8	R1392 E1393 H1398 A1399	R1392-Q1396 WeakPolarHBondContact O-CB 3.31Å; R1392-Q1396 VanDerWaalsContact O-CG 3.24Å; R1392-Q1396 WeakPolarHBondContact O-CG 3.15Å; R1392-Q1396 PolarHBondContact O-N 2.91Å; E1393-Q1396 PolarHBondContact O-N 2.81Å; Q1396-H1398 PolarHBondContact O-N 2.96Å; Q1396-A1399 WeakPolarHBondContact O-CB 3.32Å; Q1396-A1399 PolarHBondContact O-N 3.43Å; Q1396-A1399 VanDerWaalsContact O-N 3.13Å
1397	D	62.1	Low	59.3	Low	20 Å²	20	77 Å²	77	11%	0.107	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.6	167.2	-85.1	-30	0	0	0	112.3	R1373 E1393 L1394 A1399 R1400 L1401	R1373-D1397 IonicContact CZ-OD1 3.43Å; R1373-D1397 IonicContact CZ-OD2 3.69Å; R1373-D1397 IonicContact NH1-OD1 2.7Å; R1373-D1397 IonicContact NH1-OD2 3.72Å; R1373-D1397 PolarHBondContact NH1-OD2 3.4Å; R1373-D1397 IonicContact NH2-OD1 3.32Å; R1373-D1397 PolarHBondContact NH2-OD1 2.96Å; R1373-D1397 IonicContact NH2-OD2 2.8Å; R1373-D1397 PolarHBondContact NH2-OD2 3.33Å; E1393-D1397 VanDerWaalsContact O-CB 3.23Å; E1393-D1397 WeakPolarHBondContact O-CB 3.34Å; E1393-D1397 PolarHBondContact O-N 3.46Å; L1394-D1397 CarbonylContact O-C 3.56Å; D1397-A1399 PolarHBondContact O-N 2.78Å; D1397-R1400 HydrophobicContact CB-CB 4.38Å; D1397-R1400 CarbonylContact O-C 3.48Å; D1397-R1400 WeakPolarHBondContact O-CA 3.49Å; D1397-R1400 WeakPolarHBondContact O-CB 3.31Å; D1397-R1400 PolarHBondContact O-N 3.07Å; D1397-R1400 VanDerWaalsContact OD1-CD 3.27Å; D1397-R1400 WeakPolarHBondContact OD1-CD 3.28Å; D1397-L1401 WeakPolarHBondContact O-CB 3.37Å; D1397-L1401 WeakPolarHBondContact O-CG 3.25Å; D1397-L1401 PolarHBondContact O-N 2.69Å
1398	H	63.8	Low	59.7	Low	70 Å²	70	75.4 Å²	75.4	32%	0.324	38%	0.378	S	S	.	.	H	α-helix	trans	-56.9	-25	171	-156.9	66.1	0	0	0	111.6	L1394 T1395 Q1396 Q1402	L1394-H1398 PolarHBondContact O-N 2.93Å; T1395-H1398 WeakPolarHBondContact O-CB 3.36Å; T1395-H1398 PolarHBondContact O-N 3.2Å; Q1396-H1398 PolarHBondContact O-N 2.96Å; H1398-Q1402 VanDerWaalsContact O-CB 3.26Å; H1398-Q1402 WeakPolarHBondContact O-CB 3.41Å; H1398-Q1402 VanDerWaalsContact O-CG 3.27Å; H1398-Q1402 WeakPolarHBondContact O-CG 3.38Å; H1398-Q1402 PolarHBondContact O-N 3.39Å
1399	A	61.4	Low	59.6	Low	64 Å²	64	77.8 Å²	77.8	53%	0.529	39%	0.389	S	S	.	.	H	α-helix	trans	-74.7	-35.7	168	0	0	0	0	0	114	Q1396 D1397 S1403	Q1396-A1399 WeakPolarHBondContact O-CB 3.32Å; Q1396-A1399 PolarHBondContact O-N 3.43Å; Q1396-A1399 VanDerWaalsContact O-N 3.13Å; D1397-A1399 PolarHBondContact O-N 2.78Å; A1399-S1403 PolarHBondContact O-N 2.73Å
1400	R	66.2	Low	59.5	Low	94 Å²	94	74.8 Å²	74.8	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-68.9	-41	171.8	170.2	-169.2	162.3	119.6	-0.5	111.2	E1370 D1397 Q1402 S1403 L1404	E1370-R1400 IonicContact OE1-CZ 3.3Å; E1370-R1400 IonicContact OE1-NE 3.88Å; E1370-R1400 IonicContact OE1-NH2 2.62Å; E1370-R1400 PolarHBondContact OE1-NH2 2.9Å; E1370-R1400 IonicContact OE2-CZ 2.65Å; E1370-R1400 IonicContact OE2-NE 2.71Å; E1370-R1400 IonicContact OE2-NH2 3.15Å; E1370-R1400 PolarHBondContact OE2-NH2 3.05Å; D1397-R1400 HydrophobicContact CB-CB 4.38Å; D1397-R1400 CarbonylContact O-C 3.48Å; D1397-R1400 WeakPolarHBondContact O-CA 3.49Å; D1397-R1400 WeakPolarHBondContact O-CB 3.31Å; D1397-R1400 PolarHBondContact O-N 3.07Å; D1397-R1400 VanDerWaalsContact OD1-CD 3.27Å; D1397-R1400 WeakPolarHBondContact OD1-CD 3.28Å; R1400-Q1402 VanDerWaalsContact C-N 3.35Å; R1400-S1403 PolarHBondContact O-N 3.01Å; R1400-S1403 PolarHBondContact O-OG 3.26Å; R1400-L1404 HydrophobicContact CG-CD1 3.83Å; R1400-L1404 HydrophobicContact CG-CG 4.49Å; R1400-L1404 WeakPolarHBondContact O-CB 3.38Å; R1400-L1404 VanDerWaalsContact O-CG 3.27Å; R1400-L1404 WeakPolarHBondContact O-CG 3.47Å; R1400-L1404 PolarHBondContact O-N 2.83Å
1401	L	62.2	Low	60	Low	10 Å²	10	79.9 Å²	79.9	5%	0.052	40%	0.404	C	S	.	.	H	α-helix	trans	-73.3	-28.9	176.5	-60.9	174.5	0	0	0	110.6	D1397 S1405 V1415 L1419	D1397-L1401 WeakPolarHBondContact O-CB 3.37Å; D1397-L1401 WeakPolarHBondContact O-CG 3.25Å; D1397-L1401 PolarHBondContact O-N 2.69Å; L1401-S1405 WeakPolarHBondContact O-CB 3.13Å; L1401-S1405 PolarHBondContact O-N 3.47Å; L1401-S1405 PolarHBondContact O-OG 2.93Å; L1401-V1415 HydrophobicContact CB-CG1 4.42Å; L1401-V1415 HydrophobicContact CD1-CG1 4.21Å; L1401-V1415 HydrophobicContact CD2-CG1 3.97Å; L1401-V1415 HydrophobicContact CG-CG1 4.42Å; L1401-L1419 HydrophobicContact CD1-CD1 3.72Å
1402	Q	64.7	Low	60.2	Low	88 Å²	88	77.4 Å²	77.4	41%	0.411	39%	0.393	S	S	.	.	H	α-helix	trans	-65.7	-41.5	164.4	-87.9	-176.3	-1.8	0	0	113	H1398 R1400 S1405 Q1406 I1412	H1398-Q1402 VanDerWaalsContact O-CB 3.26Å; H1398-Q1402 WeakPolarHBondContact O-CB 3.41Å; H1398-Q1402 VanDerWaalsContact O-CG 3.27Å; H1398-Q1402 WeakPolarHBondContact O-CG 3.38Å; H1398-Q1402 PolarHBondContact O-N 3.39Å; R1400-Q1402 VanDerWaalsContact C-N 3.35Å; Q1402-S1405 WeakPolarHBondContact CA-OG 3.19Å; Q1402-S1405 PolarHBondContact O-OG 3Å; Q1402-Q1406 WeakPolarHBondContact O-CB 3.41Å; Q1402-Q1406 WeakPolarHBondContact O-CG 3.41Å; Q1402-Q1406 PolarHBondContact O-N 3.43Å; Q1402-Q1406 VanDerWaalsContact O-N 3.12Å; Q1402-I1412 HydrophobicContact CG-CD1 3.7Å
1403	S	64.7	Low	60.3	Low	60 Å²	60	77.1 Å²	77.1	42%	0.42	40%	0.401	S	S	.	.	H	α-helix	trans	-72.1	-37.5	177	69.7	0	0	0	0	112	A1399 R1400 T1407	A1399-S1403 PolarHBondContact O-N 2.73Å; R1400-S1403 PolarHBondContact O-N 3.01Å; R1400-S1403 PolarHBondContact O-OG 3.26Å; S1403-T1407 VanDerWaalsContact O-CB 3.32Å; S1403-T1407 WeakPolarHBondContact O-CB 3.5Å; S1403-T1407 PolarHBondContact O-N 3.26Å; S1403-T1407 PolarHBondContact O-OG1 2.87Å
1404	L	57.2	Low	60.3	Low	35 Å²	35	79.7 Å²	79.7	18%	0.183	41%	0.413	C	S	.	.	H	α-helix	trans	-69.7	-40.7	174.3	-70.6	169.1	0	0	0	112.6	R1400 Q1406 T1407 H1408	R1400-L1404 HydrophobicContact CG-CD1 3.83Å; R1400-L1404 HydrophobicContact CG-CG 4.49Å; R1400-L1404 WeakPolarHBondContact O-CB 3.38Å; R1400-L1404 VanDerWaalsContact O-CG 3.27Å; R1400-L1404 WeakPolarHBondContact O-CG 3.47Å; R1400-L1404 PolarHBondContact O-N 2.83Å; L1404-Q1406 VanDerWaalsContact C-N 3.34Å; L1404-Q1406 PolarHBondContact O-N 3.2Å; L1404-T1407 PolarHBondContact O-N 3.2Å; L1404-T1407 VanDerWaalsContact O-N 3.15Å; L1404-H1408 WeakPolarHBondContact O-CB 2.99Å; L1404-H1408 PolarHBondContact O-CD2 3.18Å; L1404-H1408 VanDerWaalsContact O-CD2 3.25Å; L1404-H1408 PolarHBondContact O-N 3.14Å
1405	S	58.8	Low	60.4	Low	13 Å²	13	78.3 Å²	78.3	9%	0.091	41%	0.406	C	S	.	.	H	α-helix	trans	-63.2	-40.2	173.7	60.4	0	0	0	0	111.9	L1401 Q1402 T1407 H1409 V1410 I1412	L1401-S1405 WeakPolarHBondContact O-CB 3.13Å; L1401-S1405 PolarHBondContact O-N 3.47Å; L1401-S1405 PolarHBondContact O-OG 2.93Å; Q1402-S1405 WeakPolarHBondContact CA-OG 3.19Å; Q1402-S1405 PolarHBondContact O-OG 3Å; S1405-T1407 VanDerWaalsContact C-N 3.34Å; S1405-T1407 PolarHBondContact O-N 2.68Å; S1405-H1409 VanDerWaalsContact O-CA 3.28Å; S1405-H1409 WeakPolarHBondContact O-CA 3.4Å; S1405-H1409 PolarHBondContact O-N 2.7Å; S1405-V1410 WeakPolarHBondContact CB-O 3.39Å; S1405-I1412 WeakPolarHBondContact OG-CG1 3.36Å
1406	Q	60	Low	60.4	Low	140 Å²	140	75.8 Å²	75.8	65%	0.654	39%	0.389	S	S	*	.	H	α-helix	trans	-63.4	-38.2	171.9	-72.5	172.7	24.8	0	0	112.3	Q1402 L1404 H1409	Q1402-Q1406 WeakPolarHBondContact O-CB 3.41Å; Q1402-Q1406 WeakPolarHBondContact O-CG 3.41Å; Q1402-Q1406 PolarHBondContact O-N 3.43Å; Q1402-Q1406 VanDerWaalsContact O-N 3.12Å; L1404-Q1406 VanDerWaalsContact C-N 3.34Å; L1404-Q1406 PolarHBondContact O-N 3.2Å; Q1406-H1409 PolarHBondContact O-ND1 2.91Å
1407	T	61.7	Low	60.5	Low	99 Å²	99	74.1 Å²	74.1	61%	0.607	38%	0.381	S	S	*	.	H	α-helix	trans	-77	-34.7	-178.6	-55.6	0	0	0	0	113.1	S1403 L1404 S1405	S1403-T1407 VanDerWaalsContact O-CB 3.32Å; S1403-T1407 WeakPolarHBondContact O-CB 3.5Å; S1403-T1407 PolarHBondContact O-N 3.26Å; S1403-T1407 PolarHBondContact O-OG1 2.87Å; L1404-T1407 PolarHBondContact O-N 3.2Å; L1404-T1407 VanDerWaalsContact O-N 3.15Å; S1405-T1407 VanDerWaalsContact C-N 3.34Å; S1405-T1407 PolarHBondContact O-N 2.68Å
1408	H	52.8	Low	60.9	Low	82 Å²	82	75 Å²	75	38%	0.38	38%	0.383	S	S	.	.	H	α-helix	trans	-109.6	-3.7	-173.4	-63.4	-75.2	0	0	0	114.6	L1404 V1410	L1404-H1408 WeakPolarHBondContact O-CB 2.99Å; L1404-H1408 PolarHBondContact O-CD2 3.18Å; L1404-H1408 VanDerWaalsContact O-CD2 3.25Å; L1404-H1408 PolarHBondContact O-N 3.14Å; H1408-V1410 VanDerWaalsContact C-N 3.3Å; H1408-V1410 HydrophobicContact CB-CG2 4.14Å; H1408-V1410 PolarHBondContact O-N 3.5Å
1409	H	51.2	Low	60.9	Low	173 Å²	173	72.1 Å²	72.1	80%	0.801	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	39.7	-179.5	-57.6	-15.8	0	0	0	113.8	S1405 Q1406	S1405-H1409 VanDerWaalsContact O-CA 3.28Å; S1405-H1409 WeakPolarHBondContact O-CA 3.4Å; S1405-H1409 PolarHBondContact O-N 2.7Å; Q1406-H1409 PolarHBondContact O-ND1 2.91Å
1410	V	55.1	Low	61.2	Low	25 Å²	25	76.4 Å²	76.4	15%	0.152	37%	0.372	C	S	.	.			trans	-100.8	134.2	171	-167.8	0	0	0	0	108	L1363 S1405 H1408 H1414 V1415	L1363-V1410 HydrophobicContact CD1-CG2 3.88Å; L1363-V1410 HydrophobicContact CD2-CG2 4.38Å; L1363-V1410 HydrophobicContact CG-CG2 4.05Å; S1405-V1410 WeakPolarHBondContact CB-O 3.39Å; H1408-V1410 VanDerWaalsContact C-N 3.3Å; H1408-V1410 HydrophobicContact CB-CG2 4.14Å; H1408-V1410 PolarHBondContact O-N 3.5Å; V1410-H1414 HydrophobicContact CG1-CB 4.36Å; V1410-V1415 HydrophobicContact CB-CG2 4.02Å; V1410-V1415 HydrophobicContact CG1-CG2 3.68Å
1411	D	61.5	Low	61.4	Low	113 Å²	113	77.1 Å²	77.1	60%	0.604	38%	0.38	S	S	*	.			trans	-67.6	141.7	-178.9	-153.9	-13.7	0	0	0	111.1	D1413 H1414 V1415	D1411-D1413 VanDerWaalsContact C-N 3.29Å; D1411-D1413 PolarHBondContact O-N 2.83Å; D1411-H1414 HydrophobicContact CB-CB 4.25Å; D1411-H1414 WeakPolarHBondContact O-CA 3.5Å; D1411-H1414 WeakPolarHBondContact O-CB 3.31Å; D1411-H1414 PolarHBondContact O-N 3.47Å; D1411-V1415 PolarHBondContact O-N 2.87Å
1412	I	56.7	Low	61.3	Low	47 Å²	47	77.7 Å²	77.7	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-63.2	-40.9	-174	-69.5	170.4	0	0	0	110.1	Q1402 S1405 H1414 V1415 D1416	Q1402-I1412 HydrophobicContact CG-CD1 3.7Å; S1405-I1412 WeakPolarHBondContact OG-CG1 3.36Å; I1412-H1414 PolarHBondContact O-N 2.68Å; I1412-V1415 PolarHBondContact O-N 3.47Å; I1412-D1416 WeakPolarHBondContact O-CB 3.46Å; I1412-D1416 PolarHBondContact O-N 2.81Å
1413	D	63.6	Low	61.1	Low	122 Å²	122	75.2 Å²	75.2	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-64.8	-28.8	176.9	-67.5	-14.2	0	0	0	112	D1411 H1417	D1411-D1413 VanDerWaalsContact C-N 3.29Å; D1411-D1413 PolarHBondContact O-N 2.83Å; D1413-H1417 WeakPolarHBondContact O-CB 3.38Å; D1413-H1417 PolarHBondContact O-N 3.38Å
1414	H	60	Low	61.1	Low	137 Å²	137	80.8 Å²	80.8	63%	0.634	38%	0.383	S	S	*	.	H	α-helix	trans	-73.6	-41.8	174	-114.2	74.7	0	0	0	112.1	V1410 D1411 I1412 D1416 H1417 W1418	V1410-H1414 HydrophobicContact CG1-CB 4.36Å; D1411-H1414 HydrophobicContact CB-CB 4.25Å; D1411-H1414 WeakPolarHBondContact O-CA 3.5Å; D1411-H1414 WeakPolarHBondContact O-CB 3.31Å; D1411-H1414 PolarHBondContact O-N 3.47Å; I1412-H1414 PolarHBondContact O-N 2.68Å; H1414-D1416 VanDerWaalsContact C-N 3.32Å; H1414-H1417 PolarHBondContact O-N 3.39Å; H1414-W1418 WeakPolarHBondContact O-CB 3.28Å; H1414-W1418 PolarHBondContact O-N 2.92Å
1415	V	60.3	Low	61.4	Low	6 Å²	6	86.4 Å²	86.4	4%	0.036	40%	0.402	C	S	.	.	H	α-helix	trans	-61.1	-43.9	173.7	171.3	0	0	0	0	110.2	W1366 L1401 V1410 D1411 I1412 W1418 L1419	W1366-V1415 HydrophobicContact CH2-CB 4.34Å; W1366-V1415 HydrophobicContact CH2-CG1 3.93Å; W1366-V1415 HydrophobicContact CH2-CG2 3.87Å; W1366-V1415 HydrophobicContact CZ2-CG1 3.95Å; W1366-V1415 HydrophobicContact CZ2-CG2 4.24Å; L1401-V1415 HydrophobicContact CB-CG1 4.42Å; L1401-V1415 HydrophobicContact CD1-CG1 4.21Å; L1401-V1415 HydrophobicContact CD2-CG1 3.97Å; L1401-V1415 HydrophobicContact CG-CG1 4.42Å; V1410-V1415 HydrophobicContact CB-CG2 4.02Å; V1410-V1415 HydrophobicContact CG1-CG2 3.68Å; D1411-V1415 PolarHBondContact O-N 2.87Å; I1412-V1415 PolarHBondContact O-N 3.47Å; V1415-W1418 PolarHBondContact O-N 3.23Å; V1415-L1419 HydrophobicContact CG1-CD1 4.16Å; V1415-L1419 WeakPolarHBondContact O-CB 3.35Å; V1415-L1419 PolarHBondContact O-N 3.32Å
1416	D	61.1	Low	61.3	Low	46 Å²	46	86.6 Å²	86.6	25%	0.246	40%	0.402	C	S	.	.	H	α-helix	trans	-70.6	-35.4	179.6	-152.1	75	0	0	0	112	I1412 H1414 R1420	I1412-D1416 WeakPolarHBondContact O-CB 3.46Å; I1412-D1416 PolarHBondContact O-N 2.81Å; H1414-D1416 VanDerWaalsContact C-N 3.32Å; D1416-R1420 WeakPolarHBondContact O-CD 3.48Å; D1416-R1420 WeakPolarHBondContact O-CG 3.37Å; D1416-R1420 PolarHBondContact O-N 3.35Å; D1416-R1420 IonicContact OD2-CZ 3.46Å; D1416-R1420 IonicContact OD2-NE 2.79Å; D1416-R1420 PolarHBondContact OD2-NE 3.07Å; D1416-R1420 IonicContact OD2-NH2 2.78Å; D1416-R1420 PolarHBondContact OD2-NH2 3.39Å
1417	H	65.9	Low	61.1	Low	113 Å²	113	83.9 Å²	83.9	52%	0.523	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-48	171.3	-131.2	86.2	0	0	0	111.8	D1413 H1414 L1419 R1420 E1421	D1413-H1417 WeakPolarHBondContact O-CB 3.38Å; D1413-H1417 PolarHBondContact O-N 3.38Å; H1414-H1417 PolarHBondContact O-N 3.39Å; H1417-L1419 VanDerWaalsContact C-N 3.33Å; H1417-L1419 PolarHBondContact O-N 3.48Å; H1417-R1420 WeakPolarHBondContact O-CB 3.36Å; H1417-R1420 PolarHBondContact O-N 2.77Å; H1417-R1420 VanDerWaalsContact O-N 3.1Å; H1417-E1421 PolarHBondContact O-N 3.34Å
1418	W	71	Confident	61	Low	37 Å²	37	83.8 Å²	83.8	14%	0.14	39%	0.393	C	S	.	.	H	α-helix	trans	-60.7	-41.6	178.1	175.9	75.8	0	0	0	111.8	W1366 Q1367 E1370 Q1371 L1374 H1414 V1415 R1420 E1421 E1422	W1366-W1418 AromaticContact CH2-CE3 3.9Å; W1366-W1418 HydrophobicContact CH2-CE3 3.9Å; W1366-W1418 HydrophobicContact CH2-CZ3 4.06Å; W1366-W1418 HydrophobicContact CZ3-CE3 4.29Å; W1366-W1418 HydrophobicContact CZ3-CZ3 4.45Å; Q1367-W1418 HydrophobicContact CB-CH2 4.17Å; Q1367-W1418 HydrophobicContact CB-CZ2 3.77Å; Q1367-W1418 HydrophobicContact CG-CD2 4.38Å; Q1367-W1418 HydrophobicContact CG-CH2 4.11Å; Q1367-W1418 HydrophobicContact CG-CZ2 3.64Å; E1370-W1418 HydrophobicContact CB-CH2 4.44Å; E1370-W1418 HydrophobicContact CB-CZ3 4.4Å; Q1371-W1418 HydrophobicContact CG-CH2 3.99Å; Q1371-W1418 HydrophobicContact CG-CZ2 3.84Å; L1374-W1418 HydrophobicContact CD1-CH2 4.48Å; H1414-W1418 WeakPolarHBondContact O-CB 3.28Å; H1414-W1418 PolarHBondContact O-N 2.92Å; V1415-W1418 PolarHBondContact O-N 3.23Å; W1418-R1420 VanDerWaalsContact C-N 3.34Å; W1418-R1420 PolarHBondContact O-N 3.29Å; W1418-E1421 PolarHBondContact O-N 2.78Å; W1418-E1422 WeakPolarHBondContact O-CB 3.44Å; W1418-E1422 PolarHBondContact O-N 2.85Å
1419	L	63.4	Low	60.7	Low	11 Å²	11	82.9 Å²	82.9	6%	0.058	40%	0.396	C	S	.	.	H	α-helix	trans	-59.4	-41.7	172.7	-100.3	153.9	0	0	0	112.4	L1374 L1394 L1401 V1415 H1417 L1423	L1374-L1419 HydrophobicContact CD1-CD2 3.87Å; L1374-L1419 HydrophobicContact CD2-CD2 4.07Å; L1374-L1419 HydrophobicContact CG-CD2 4.27Å; L1394-L1419 HydrophobicContact CD2-CD2 3.92Å; L1401-L1419 HydrophobicContact CD1-CD1 3.72Å; V1415-L1419 HydrophobicContact CG1-CD1 4.16Å; V1415-L1419 WeakPolarHBondContact O-CB 3.35Å; V1415-L1419 PolarHBondContact O-N 3.32Å; H1417-L1419 VanDerWaalsContact C-N 3.33Å; H1417-L1419 PolarHBondContact O-N 3.48Å; L1419-L1423 WeakPolarHBondContact O-CB 3.28Å; L1419-L1423 WeakPolarHBondContact O-CD1 3.31Å; L1419-L1423 WeakPolarHBondContact O-CG 3.38Å; L1419-L1423 PolarHBondContact O-N 2.81Å
1420	R	67	Low	60.2	Low	154 Å²	154	76.9 Å²	76.9	58%	0.581	38%	0.38	S	S	*	.	H	α-helix	trans	-70.2	-38.3	177.3	-69.7	163.7	-168.6	-89.8	-2	112.8	D1416 H1417 W1418 R1424	D1416-R1420 WeakPolarHBondContact O-CD 3.48Å; D1416-R1420 WeakPolarHBondContact O-CG 3.37Å; D1416-R1420 PolarHBondContact O-N 3.35Å; D1416-R1420 IonicContact OD2-CZ 3.46Å; D1416-R1420 IonicContact OD2-NE 2.79Å; D1416-R1420 PolarHBondContact OD2-NE 3.07Å; D1416-R1420 IonicContact OD2-NH2 2.78Å; D1416-R1420 PolarHBondContact OD2-NH2 3.39Å; H1417-R1420 WeakPolarHBondContact O-CB 3.36Å; H1417-R1420 PolarHBondContact O-N 2.77Å; H1417-R1420 VanDerWaalsContact O-N 3.1Å; W1418-R1420 VanDerWaalsContact C-N 3.34Å; W1418-R1420 PolarHBondContact O-N 3.29Å; R1420-R1424 WeakPolarHBondContact O-CB 3.37Å; R1420-R1424 WeakPolarHBondContact O-CG 3.37Å; R1420-R1424 PolarHBondContact O-N 3.32Å
1421	E	69.9	Low	59.4	Low	108 Å²	108	82.4 Å²	82.4	51%	0.505	41%	0.408	S	S	.	.	H	α-helix	trans	-71	-44.2	176.6	-72.9	-165.8	131.6	0	0	111.9	H1417 W1418 R1424 R1425	H1417-E1421 PolarHBondContact O-N 3.34Å; W1418-E1421 PolarHBondContact O-N 2.78Å; E1421-R1424 CarbonylContact O-C 3.59Å; E1421-R1424 WeakPolarHBondContact O-CB 3.37Å; E1421-R1424 PolarHBondContact O-N 2.62Å; E1421-R1425 VanDerWaalsContact O-CB 3.31Å; E1421-R1425 WeakPolarHBondContact O-CB 3.47Å; E1421-R1425 PolarHBondContact O-N 3.13Å
1422	E	60.7	Low	58.4	Low	22 Å²	22	78.3 Å²	78.3	10%	0.103	39%	0.387	C	S	.	.	H	α-helix	trans	-71.7	-33.1	178.9	-163.7	70.2	173	0	0	111.3	Q1371 W1418 R1425 L1426	Q1371-E1422 HydrophobicContact CG-CG 4.43Å; Q1371-E1422 PolarHBondContact NE2-OE1 2.73Å; W1418-E1422 WeakPolarHBondContact O-CB 3.44Å; W1418-E1422 PolarHBondContact O-N 2.85Å; E1422-R1425 PolarHBondContact O-N 3.39Å; E1422-R1425 IonicContact OE1-NH1 2.8Å; E1422-R1425 PolarHBondContact OE1-NH1 3.47Å; E1422-R1425 WeakPolarHBondContact OE2-CD 3.45Å; E1422-R1425 IonicContact OE2-NH1 3.57Å; E1422-R1425 PolarHBondContact OE2-NH1 3.09Å; E1422-L1426 HydrophobicContact CG-CD1 4.32Å; E1422-L1426 VanDerWaalsContact O-CB 3.3Å; E1422-L1426 WeakPolarHBondContact O-CB 3.18Å; E1422-L1426 VanDerWaalsContact O-CG 3.26Å; E1422-L1426 WeakPolarHBondContact O-CG 3.33Å; E1422-L1426 PolarHBondContact O-N 2.73Å
1423	L	60.6	Low	57.6	Low	36 Å²	36	83.8 Å²	83.8	19%	0.188	41%	0.412	C	S	.	.	H	α-helix	trans	-62.1	-43.9	167.3	-79.8	168.9	0	0	0	112.1	L1374 L1378 L1394 L1419 R1425 Q1427	L1374-L1423 HydrophobicContact CD2-CD2 4.11Å; L1374-L1423 HydrophobicContact CD2-CG 4.46Å; L1378-L1423 HydrophobicContact CD1-CD2 4.45Å; L1394-L1423 HydrophobicContact CD1-CD1 4.34Å; L1419-L1423 WeakPolarHBondContact O-CB 3.28Å; L1419-L1423 WeakPolarHBondContact O-CD1 3.31Å; L1419-L1423 WeakPolarHBondContact O-CG 3.38Å; L1419-L1423 PolarHBondContact O-N 2.81Å; L1423-R1425 VanDerWaalsContact C-N 3.31Å; L1423-R1425 PolarHBondContact O-N 2.85Å; L1423-Q1427 VanDerWaalsContact O-CB 3.29Å; L1423-Q1427 WeakPolarHBondContact O-CB 3.02Å; L1423-Q1427 PolarHBondContact O-N 3.25Å
1424	R	64	Low	56.5	Low	177 Å²	177	79.7 Å²	79.7	67%	0.668	39%	0.39	S	S	*	.	H	α-helix	trans	-59.1	-42.5	171.5	-88.3	179.4	174.1	160.3	-2.2	111.7	R1420 E1421 Q1427 S1428	R1420-R1424 WeakPolarHBondContact O-CB 3.37Å; R1420-R1424 WeakPolarHBondContact O-CG 3.37Å; R1420-R1424 PolarHBondContact O-N 3.32Å; E1421-R1424 CarbonylContact O-C 3.59Å; E1421-R1424 WeakPolarHBondContact O-CB 3.37Å; E1421-R1424 PolarHBondContact O-N 2.62Å; R1424-Q1427 CarbonylContact O-C 3.59Å; R1424-Q1427 WeakPolarHBondContact O-CB 3.36Å; R1424-Q1427 PolarHBondContact O-N 3Å; R1424-S1428 WeakPolarHBondContact O-CB 3.49Å; R1424-S1428 PolarHBondContact O-N 2.84Å; R1424-S1428 PolarHBondContact O-OG 2.96Å
1425	R	65	Low	55.6	Low	153 Å²	153	78.1 Å²	78.1	58%	0.577	38%	0.382	S	S	*	.	H	α-helix	trans	-68.9	-41.7	-176.5	-162.7	-175.2	-179.4	-150.6	-0.8	111.7	E1421 E1422 L1423 Q1427 S1428 S1429	E1421-R1425 VanDerWaalsContact O-CB 3.31Å; E1421-R1425 WeakPolarHBondContact O-CB 3.47Å; E1421-R1425 PolarHBondContact O-N 3.13Å; E1422-R1425 PolarHBondContact O-N 3.39Å; E1422-R1425 IonicContact OE1-NH1 2.8Å; E1422-R1425 PolarHBondContact OE1-NH1 3.47Å; E1422-R1425 WeakPolarHBondContact OE2-CD 3.45Å; E1422-R1425 IonicContact OE2-NH1 3.57Å; E1422-R1425 PolarHBondContact OE2-NH1 3.09Å; L1423-R1425 VanDerWaalsContact C-N 3.31Å; L1423-R1425 PolarHBondContact O-N 2.85Å; R1425-Q1427 VanDerWaalsContact C-N 3.3Å; R1425-S1428 WeakPolarHBondContact CA-OG 3.27Å; R1425-S1428 PolarHBondContact O-N 2.66Å; R1425-S1428 PolarHBondContact O-OG 2.83Å; R1425-S1429 VanDerWaalsContact O-CB 3.25Å; R1425-S1429 WeakPolarHBondContact O-CB 3.36Å; R1425-S1429 PolarHBondContact O-N 3.18Å; R1425-S1429 PolarHBondContact O-OG 3.16Å
1426	L	56.3	Low	54.8	Low	18 Å²	18	85 Å²	85	9%	0.094	41%	0.414	C	S	.	.	H	α-helix	trans	-64.3	-33.6	171.3	-74.6	167.3	0	0	0	112.3	L1378 E1422 S1429 V1432	L1378-L1426 HydrophobicContact CD1-CD1 3.86Å; E1422-L1426 HydrophobicContact CG-CD1 4.32Å; E1422-L1426 VanDerWaalsContact O-CB 3.3Å; E1422-L1426 WeakPolarHBondContact O-CB 3.18Å; E1422-L1426 VanDerWaalsContact O-CG 3.26Å; E1422-L1426 WeakPolarHBondContact O-CG 3.33Å; E1422-L1426 PolarHBondContact O-N 2.73Å; L1426-S1429 WeakPolarHBondContact CA-OG 3.49Å; L1426-S1429 PolarHBondContact O-OG 3.34Å; L1426-V1432 HydrophobicContact CB-CB 4.22Å; L1426-V1432 HydrophobicContact CB-CG2 3.78Å; L1426-V1432 HydrophobicContact CD2-CG2 4.15Å; L1426-V1432 HydrophobicContact CG-CG2 4.41Å; L1426-V1432 PolarHBondContact O-N 3.44Å
1427	Q	55.8	Low	54.2	Low	82 Å²	82	86.1 Å²	86.1	38%	0.383	42%	0.418	S	S	.	.	H	α-helix	trans	-73.9	-35.1	173.3	-163.9	175.5	21.7	0	0	112.7	L1423 R1424 R1425	L1423-Q1427 VanDerWaalsContact O-CB 3.29Å; L1423-Q1427 WeakPolarHBondContact O-CB 3.02Å; L1423-Q1427 PolarHBondContact O-N 3.25Å; R1424-Q1427 CarbonylContact O-C 3.59Å; R1424-Q1427 WeakPolarHBondContact O-CB 3.36Å; R1424-Q1427 PolarHBondContact O-N 3Å; R1425-Q1427 VanDerWaalsContact C-N 3.3Å
1428	S	58.1	Low	53.7	Low	98 Å²	98	83.8 Å²	83.8	69%	0.685	41%	0.412	S	S	*	.	H	α-helix	trans	-81.5	-26.4	179.2	66.8	0	0	0	0	114.1	R1424 R1425 G1430	R1424-S1428 WeakPolarHBondContact O-CB 3.49Å; R1424-S1428 PolarHBondContact O-N 2.84Å; R1424-S1428 PolarHBondContact O-OG 2.96Å; R1425-S1428 WeakPolarHBondContact CA-OG 3.27Å; R1425-S1428 PolarHBondContact O-N 2.66Å; R1425-S1428 PolarHBondContact O-OG 2.83Å; S1428-G1430 VanDerWaalsContact C-N 3.28Å; S1428-G1430 PolarHBondContact O-N 3.27Å
1429	S	48.1	Very low	53.2	Low	63 Å²	63	88.5 Å²	88.5	44%	0.441	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	4.9	180	53.4	0	0	0	0	114.3	R1425 L1426 L1431	R1425-S1429 VanDerWaalsContact O-CB 3.25Å; R1425-S1429 WeakPolarHBondContact O-CB 3.36Å; R1425-S1429 PolarHBondContact O-N 3.18Å; R1425-S1429 PolarHBondContact O-OG 3.16Å; L1426-S1429 WeakPolarHBondContact CA-OG 3.49Å; L1426-S1429 PolarHBondContact O-OG 3.34Å; S1429-L1431 PolarHBondContact O-N 2.9Å
1430	G	39.9	Very low	53.2	Low	46 Å²	46	88.6 Å²	88.6	47%	0.474	44%	0.435	S	S	.	.	S	Bend	trans	71.5	-20	-179.9	0	0	0	0	0	115.4	S1428 V1432	S1428-G1430 VanDerWaalsContact C-N 3.28Å; S1428-G1430 PolarHBondContact O-N 3.27Å; G1430-V1432 PolarHBondContact O-N 2.86Å; G1430-V1432 VanDerWaalsContact O-N 3.13Å
1431	L	39.3	Very low	53.2	Low	141 Å²	141	82.3 Å²	82.3	74%	0.738	41%	0.412	S	S	*	.	S	Bend	trans	-54.1	-28.9	176	-84.3	160.4	0	0	0	113.3	S1429	S1429-L1431 PolarHBondContact O-N 2.9Å
1432	V	40.3	Very low	53.1	Low	27 Å²	27	81.9 Å²	81.9	16%	0.164	41%	0.41	C	S	.	.	S	Bend	trans	-129.2	87.5	175.4	-170.3	0	0	0	0	110.2	L1378 L1426 G1430 I1434	L1378-V1432 HydrophobicContact CD1-CG2 4.17Å; L1378-V1432 HydrophobicContact CD2-CG1 4.01Å; L1426-V1432 HydrophobicContact CB-CB 4.22Å; L1426-V1432 HydrophobicContact CB-CG2 3.78Å; L1426-V1432 HydrophobicContact CD2-CG2 4.15Å; L1426-V1432 HydrophobicContact CG-CG2 4.41Å; L1426-V1432 PolarHBondContact O-N 3.44Å; G1430-V1432 PolarHBondContact O-N 2.86Å; G1430-V1432 VanDerWaalsContact O-N 3.13Å; V1432-I1434 HydrophobicContact CG1-CD1 4.27Å; V1432-I1434 HydrophobicContact CG1-CG1 3.61Å; V1432-I1434 PolarHBondContact O-N 2.9Å
1433	Q	39.2	Very low	53.5	Low	163 Å²	163	86.1 Å²	86.1	76%	0.762	43%	0.428	S	S	*	.			trans	-67.7	82.1	165.1	-70.7	-171.1	-6.8	0	0	110.5	E1435	Q1433-E1435 VanDerWaalsContact C-N 3.3Å; Q1433-E1435 PolarHBondContact O-N 3.44Å
1434	I	41.3	Very low	53.7	Low	35 Å²	35	85 Å²	85	18%	0.179	42%	0.423	C	S	.	.			trans	-70.7	92	163.7	-50.8	-176	0	0	0	107	Y1387 V1432 Q1436	Y1387-I1434 HydrophobicContact CD2-CG2 3.84Å; Y1387-I1434 HydrophobicContact CE2-CD1 4.13Å; Y1387-I1434 HydrophobicContact CE2-CG2 4.05Å; V1432-I1434 HydrophobicContact CG1-CD1 4.27Å; V1432-I1434 HydrophobicContact CG1-CG1 3.61Å; V1432-I1434 PolarHBondContact O-N 2.9Å; I1434-Q1436 VanDerWaalsContact C-N 3.3Å; I1434-Q1436 PolarHBondContact O-N 3.09Å
1435	E	39.9	Very low	53.8	Low	104 Å²	104	77.2 Å²	77.2	49%	0.486	40%	0.395	S	S	.	.			trans	-59.3	94	167.3	-77.3	179	134.9	0	0	108.7	Q1433 Q1437 K1495	Q1433-E1435 VanDerWaalsContact C-N 3.3Å; Q1433-E1435 PolarHBondContact O-N 3.44Å; E1435-Q1437 PolarHBondContact O-N 3.2Å; E1435-K1495 IonicContact OE1-NZ 3.2Å; E1435-K1495 PolarHBondContact OE1-NZ 3.45Å; E1435-K1495 IonicContact OE2-NZ 2.72Å; E1435-K1495 PolarHBondContact OE2-NZ 3.21Å
1436	Q	44.4	Very low	54.2	Low	151 Å²	151	74.3 Å²	74.3	71%	0.706	39%	0.391	S	S	*	.			trans	-59.1	112.7	166	-76.8	-171.1	-15.5	0	0	107.2	I1434 T1438	I1434-Q1436 VanDerWaalsContact C-N 3.3Å; I1434-Q1436 PolarHBondContact O-N 3.09Å; Q1436-T1438 PolarHBondContact O-N 2.9Å
1437	Q	49	Very low	54.8	Low	69 Å²	69	74.4 Å²	74.4	32%	0.322	40%	0.396	S	S	.	.			trans	-57.9	109.4	174.2	-74.4	-168.5	0.2	0	0	108.3	E1435 Q1441 Q1442 S1445	E1435-Q1437 PolarHBondContact O-N 3.2Å; Q1437-Q1441 HydrophobicContact CB-CB 3.8Å; Q1437-Q1441 HydrophobicContact CG-CB 4.03Å; Q1437-Q1442 HydrophobicContact CB-CG 3.76Å; Q1437-Q1442 WeakPolarHBondContact O-CG 3.5Å; Q1437-S1445 PolarHBondContact OE1-OG 2.95Å
1438	T	54.7	Low	55.5	Low	65 Å²	65	70.6 Å²	70.6	40%	0.399	38%	0.378	S	S	.	.			trans	-56.1	160.2	171	54.5	0	0	0	0	110	Q1436 W1440 Q1441 Q1442	Q1436-T1438 PolarHBondContact O-N 2.9Å; T1438-W1440 PolarHBondContact O-N 3.19Å; T1438-W1440 PolarHBondContact OG1-NE1 2.84Å; T1438-Q1441 WeakPolarHBondContact O-CA 3.49Å; T1438-Q1441 WeakPolarHBondContact O-CB 3.48Å; T1438-Q1441 PolarHBondContact O-N 3.02Å; T1438-Q1441 WeakPolarHBondContact OG1-CG 3.17Å; T1438-Q1441 PolarHBondContact OG1-OE1 3.39Å; T1438-Q1442 PolarHBondContact O-N 2.92Å
1439	Q	60.1	Low	56	Low	136 Å²	136	69.6 Å²	69.6	64%	0.636	37%	0.365	S	S	*	.	H	α-helix	trans	-54.8	-28.2	-174.8	-72.8	-172	-2.6	0	0	114	K1443 Y1482	Q1439-K1443 PolarHBondContact O-N 3.44Å; Q1439-Y1482 HydrophobicContact CB-CE1 3.94Å
1440	W	64.1	Low	57.2	Low	13 Å²	13	70.9 Å²	70.9	5%	0.049	37%	0.367	C	S	.	.	H	α-helix	trans	-77.9	-39.4	173.6	72.2	-97.8	0	0	0	113.2	T1438 Q1442 K1443 I1444 I1478 Y1482 V1484 V1489 W1492	T1438-W1440 PolarHBondContact O-N 3.19Å; T1438-W1440 PolarHBondContact OG1-NE1 2.84Å; W1440-Q1442 PolarHBondContact O-N 3.38Å; W1440-K1443 CarbonylContact O-C 3.56Å; W1440-K1443 WeakPolarHBondContact O-CA 3.21Å; W1440-K1443 WeakPolarHBondContact O-CB 3.24Å; W1440-K1443 PolarHBondContact O-N 2.92Å; W1440-I1444 HydrophobicContact CE3-CD1 3.71Å; W1440-I1444 HydrophobicContact CE3-CG1 4.32Å; W1440-I1444 HydrophobicContact CZ3-CD1 3.9Å; W1440-I1444 WeakPolarHBondContact O-CG1 3.34Å; W1440-I1444 PolarHBondContact O-N 3.4Å; W1440-I1478 HydrophobicContact CB-CG2 3.66Å; W1440-I1478 HydrophobicContact CD2-CG2 3.98Å; W1440-I1478 HydrophobicContact CE3-CG2 3.79Å; W1440-I1478 HydrophobicContact CG-CG2 3.98Å; W1440-Y1482 HydrophobicContact CB-CD1 3.94Å; W1440-Y1482 HydrophobicContact CB-CD2 3.46Å; W1440-Y1482 VanDerWaalsContact CB-CD2 3.46Å; W1440-Y1482 HydrophobicContact CB-CE1 4.1Å; W1440-Y1482 HydrophobicContact CB-CE2 3.64Å; W1440-Y1482 HydrophobicContact CB-CG 3.62Å; W1440-Y1482 AromaticContact CD1-CG 3.84Å; W1440-Y1482 HydrophobicContact CG-CD1 4.4Å; W1440-Y1482 HydrophobicContact CG-CD2 4.27Å; W1440-Y1482 HydrophobicContact CG-CG 4.04Å; W1440-V1484 HydrophobicContact CZ2-CG1 3.8Å; W1440-V1489 HydrophobicContact CE3-CG1 4.45Å; W1440-V1489 HydrophobicContact CH2-CB 4.34Å; W1440-V1489 HydrophobicContact CH2-CG1 4.38Å; W1440-V1489 HydrophobicContact CH2-CG2 4.12Å; W1440-V1489 HydrophobicContact CZ3-CB 4.27Å; W1440-V1489 HydrophobicContact CZ3-CG1 3.82Å; W1440-V1489 HydrophobicContact CZ3-CG2 4.15Å; W1440-W1492 HydrophobicContact CH2-CB 3.92Å; W1440-W1492 HydrophobicContact CH2-CD2 4.37Å; W1440-W1492 HydrophobicContact CH2-CG 4.08Å; W1440-W1492 HydrophobicContact CZ3-CB 4.48Å; W1440-W1492 HydrophobicContact CZ3-CD2 4.24Å; W1440-W1492 HydrophobicContact CZ3-CE3 4.09Å; W1440-W1492 HydrophobicContact CZ3-CG 4.42Å
1441	Q	67.3	Low	58.8	Low	22 Å²	22	69.8 Å²	69.8	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-35.2	172.3	-69.4	163.9	-33.2	0	0	110.6	Q1437 T1438 S1445 W1492	Q1437-Q1441 HydrophobicContact CB-CB 3.8Å; Q1437-Q1441 HydrophobicContact CG-CB 4.03Å; T1438-Q1441 WeakPolarHBondContact O-CA 3.49Å; T1438-Q1441 WeakPolarHBondContact O-CB 3.48Å; T1438-Q1441 PolarHBondContact O-N 3.02Å; T1438-Q1441 WeakPolarHBondContact OG1-CG 3.17Å; T1438-Q1441 PolarHBondContact OG1-OE1 3.39Å; Q1441-S1445 VanDerWaalsContact O-CB 3.26Å; Q1441-S1445 WeakPolarHBondContact O-CB 3.47Å; Q1441-S1445 PolarHBondContact O-N 3.13Å; Q1441-S1445 PolarHBondContact O-OG 3.18Å; Q1441-W1492 HydrophobicContact CB-CH2 4.47Å; Q1441-W1492 HydrophobicContact CB-CZ2 3.8Å; Q1441-W1492 HydrophobicContact CG-CD2 3.91Å; Q1441-W1492 HydrophobicContact CG-CG 4.09Å; Q1441-W1492 HydrophobicContact CG-CZ2 4.12Å
1442	Q	68.2	Low	60.1	Low	99 Å²	99	64.6 Å²	64.6	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-68.3	-39.1	169.6	-69	-176.1	-16.7	0	0	113.1	Q1437 T1438 W1440 S1445 N1446	Q1437-Q1442 HydrophobicContact CB-CG 3.76Å; Q1437-Q1442 WeakPolarHBondContact O-CG 3.5Å; T1438-Q1442 PolarHBondContact O-N 2.92Å; W1440-Q1442 PolarHBondContact O-N 3.38Å; Q1442-S1445 WeakPolarHBondContact CA-OG 3.19Å; Q1442-S1445 PolarHBondContact O-OG 3.33Å; Q1442-N1446 VanDerWaalsContact O-CB 3.31Å; Q1442-N1446 WeakPolarHBondContact O-CB 3.18Å; Q1442-N1446 PolarHBondContact O-N 2.78Å; Q1442-N1446 PolarHBondContact O-ND2 2.96Å
1443	K	68.5	Low	61.5	Low	110 Å²	110	69.6 Å²	69.6	48%	0.478	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-44.9	172.3	-84.9	179.9	174.4	171.7	0	111.6	Q1439 W1440 G1447 Y1482	Q1439-K1443 PolarHBondContact O-N 3.44Å; W1440-K1443 CarbonylContact O-C 3.56Å; W1440-K1443 WeakPolarHBondContact O-CA 3.21Å; W1440-K1443 WeakPolarHBondContact O-CB 3.24Å; W1440-K1443 PolarHBondContact O-N 2.92Å; K1443-G1447 PolarHBondContact O-N 3.5Å; K1443-Y1482 HydrophobicContact CD-CE2 4.23Å; K1443-Y1482 WeakPolarHBondContact CD-OH 3.28Å; K1443-Y1482 WeakPolarHBondContact CE-OH 3.48Å; K1443-Y1482 PolarHBondContact NZ-OH 2.79Å
1444	I	64.8	Low	62.9	Low	14 Å²	14	68.8 Å²	68.8	7%	0.072	34%	0.339	C	S	.	.	H	α-helix	trans	-71.5	-42.2	179.8	-59.3	-174.4	0	0	0	110.8	W1440 N1446 G1447 F1448 M1475 I1478 V1489 W1492	W1440-I1444 HydrophobicContact CE3-CD1 3.71Å; W1440-I1444 HydrophobicContact CE3-CG1 4.32Å; W1440-I1444 HydrophobicContact CZ3-CD1 3.9Å; W1440-I1444 WeakPolarHBondContact O-CG1 3.34Å; W1440-I1444 PolarHBondContact O-N 3.4Å; I1444-N1446 VanDerWaalsContact C-N 3.32Å; I1444-N1446 PolarHBondContact O-N 2.86Å; I1444-G1447 CarbonylContact O-C 3.57Å; I1444-G1447 WeakPolarHBondContact O-CA 3.43Å; I1444-G1447 PolarHBondContact O-N 2.95Å; I1444-F1448 HydrophobicContact CG2-CD2 4Å; I1444-F1448 HydrophobicContact CG2-CE2 4.47Å; I1444-F1448 PolarHBondContact O-N 3.15Å; I1444-M1475 HydrophobicContact CD1-SD 4.18Å; I1444-I1478 HydrophobicContact CD1-CD1 3.7Å; I1444-I1478 HydrophobicContact CD1-CG2 4.13Å; I1444-I1478 HydrophobicContact CG1-CD1 3.48Å; I1444-I1478 VanDerWaalsContact CG1-CD1 3.48Å; I1444-V1489 HydrophobicContact CD1-CG1 3.89Å; I1444-W1492 HydrophobicContact CB-CH2 4.2Å; I1444-W1492 HydrophobicContact CB-CZ3 3.84Å; I1444-W1492 HydrophobicContact CG2-CH2 4.22Å; I1444-W1492 HydrophobicContact CG2-CZ3 3.58Å
1445	S	65.4	Low	63.9	Low	13 Å²	13	70.3 Å²	70.3	9%	0.091	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-37.7	177	67	0	0	0	0	111.8	Q1437 Q1441 Q1442 F1448 N1449	Q1437-S1445 PolarHBondContact OE1-OG 2.95Å; Q1441-S1445 VanDerWaalsContact O-CB 3.26Å; Q1441-S1445 WeakPolarHBondContact O-CB 3.47Å; Q1441-S1445 PolarHBondContact O-N 3.13Å; Q1441-S1445 PolarHBondContact O-OG 3.18Å; Q1442-S1445 WeakPolarHBondContact CA-OG 3.19Å; Q1442-S1445 PolarHBondContact O-OG 3.33Å; S1445-F1448 PolarHBondContact O-N 2.64Å; S1445-N1449 WeakPolarHBondContact O-CB 3.33Å; S1445-N1449 PolarHBondContact O-N 2.95Å; S1445-N1449 PolarHBondContact O-ND2 3.44Å
1446	N	73.7	Confident	64.3	Low	92 Å²	92	75.2 Å²	75.2	49%	0.492	36%	0.36	S	S	.	.	H	α-helix	trans	-65.9	-35.8	168.8	-78.2	-60.6	0	0	0	112.9	Q1442 I1444 N1450	Q1442-N1446 VanDerWaalsContact O-CB 3.31Å; Q1442-N1446 WeakPolarHBondContact O-CB 3.18Å; Q1442-N1446 PolarHBondContact O-N 2.78Å; Q1442-N1446 PolarHBondContact O-ND2 2.96Å; I1444-N1446 VanDerWaalsContact C-N 3.32Å; I1444-N1446 PolarHBondContact O-N 2.86Å; N1446-N1450 WeakPolarHBondContact O-CB 3.27Å; N1446-N1450 PolarHBondContact O-N 3.18Å; N1446-N1450 PolarHBondContact O-ND2 2.88Å
1447	G	69.9	Low	64.6	Low	19 Å²	19	76 Å²	76	20%	0.196	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-44.5	171.9	0	0	0	0	0	112.8	K1443 I1444 N1450 W1451	K1443-G1447 PolarHBondContact O-N 3.5Å; I1444-G1447 CarbonylContact O-C 3.57Å; I1444-G1447 WeakPolarHBondContact O-CA 3.43Å; I1444-G1447 PolarHBondContact O-N 2.95Å; G1447-N1450 PolarHBondContact O-N 2.74Å; G1447-W1451 PolarHBondContact O-N 2.87Å
1448	F	69.9	Low	64.5	Low	2 Å²	2	75.3 Å²	75.3	1%	0.009	38%	0.381	C	S	.	.	H	α-helix	trans	-63.3	-46.6	175.1	-110.5	-60.7	0	0	0	111.6	I1444 S1445 N1450 W1451 L1452 F1464 F1467 L1468 V1493 L1500	I1444-F1448 HydrophobicContact CG2-CD2 4Å; I1444-F1448 HydrophobicContact CG2-CE2 4.47Å; I1444-F1448 PolarHBondContact O-N 3.15Å; S1445-F1448 PolarHBondContact O-N 2.64Å; F1448-N1450 VanDerWaalsContact C-N 3.33Å; F1448-N1450 PolarHBondContact O-N 2.85Å; F1448-W1451 AromaticContact CD1-CE3 3.92Å; F1448-W1451 HydrophobicContact CD1-CE3 3.92Å; F1448-W1451 HydrophobicContact CD1-CZ3 4.36Å; F1448-W1451 HydrophobicContact CE1-CE3 4Å; F1448-W1451 HydrophobicContact CE1-CZ3 4.09Å; F1448-W1451 CarbonylContact O-C 3.59Å; F1448-W1451 WeakPolarHBondContact O-CB 3.35Å; F1448-W1451 PolarHBondContact O-N 3.34Å; F1448-W1451 VanDerWaalsContact O-N 3.1Å; F1448-L1452 WeakPolarHBondContact O-CB 3.23Å; F1448-L1452 VanDerWaalsContact O-CG 3.3Å; F1448-L1452 WeakPolarHBondContact O-CG 3.47Å; F1448-L1452 PolarHBondContact O-N 3.16Å; F1448-F1464 HydrophobicContact CD1-CE2 4.45Å; F1448-F1464 AromaticContact CE1-CD2 3.71Å; F1448-F1464 HydrophobicContact CE1-CD2 3.71Å; F1448-F1464 AromaticContact CE1-CE2 3.28Å; F1448-F1464 HydrophobicContact CE1-CE2 3.28Å; F1448-F1464 HydrophobicContact CE1-CZ 4.26Å; F1448-F1464 HydrophobicContact CE2-CE2 4.43Å; F1448-F1464 HydrophobicContact CZ-CD2 4.03Å; F1448-F1464 AromaticContact CZ-CE2 3.26Å; F1448-F1464 HydrophobicContact CZ-CE2 3.26Å; F1448-F1464 AromaticContact CZ-CZ 3.79Å; F1448-F1464 HydrophobicContact CZ-CZ 3.79Å; F1448-F1467 HydrophobicContact CD1-CD1 4.27Å; F1448-F1467 AromaticContact CD1-CE1 3.73Å; F1448-F1467 HydrophobicContact CD1-CE1 3.73Å; F1448-F1467 HydrophobicContact CD1-CZ 4.49Å; F1448-F1467 HydrophobicContact CD2-CE1 4.18Å; F1448-F1467 AromaticContact CE1-CD1 3.53Å; F1448-F1467 HydrophobicContact CE1-CD1 3.53Å; F1448-F1467 AromaticContact CE1-CE1 3.36Å; F1448-F1467 HydrophobicContact CE1-CE1 3.36Å; F1448-F1467 HydrophobicContact CE1-CZ 4.48Å; F1448-F1467 AromaticContact CE2-CE1 3.88Å; F1448-F1467 HydrophobicContact CE2-CE1 3.88Å; F1448-F1467 HydrophobicContact CG-CE1 4.11Å; F1448-F1467 AromaticContact CZ-CD1 3.69Å; F1448-F1467 HydrophobicContact CZ-CD1 3.69Å; F1448-F1467 AromaticContact CZ-CE1 3.46Å; F1448-F1467 HydrophobicContact CZ-CE1 3.46Å; F1448-F1467 VanDerWaalsContact CZ-CE1 3.46Å; F1448-L1468 HydrophobicContact CE2-CD2 4.13Å; F1448-L1468 HydrophobicContact CZ-CD2 3.79Å; F1448-V1493 HydrophobicContact CE2-CG2 4.38Å; F1448-L1500 HydrophobicContact CD1-CD1 4.21Å; F1448-L1500 HydrophobicContact CE1-CD1 4.34Å
1449	N	67.9	Low	64.5	Low	77 Å²	77	72.4 Å²	72.4	41%	0.412	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-41.5	176.2	-71.1	-23.2	0	0	0	111.5	S1445 W1451 L1452 E1453	S1445-N1449 WeakPolarHBondContact O-CB 3.33Å; S1445-N1449 PolarHBondContact O-N 2.95Å; S1445-N1449 PolarHBondContact O-ND2 3.44Å; N1449-W1451 VanDerWaalsContact C-N 3.32Å; N1449-W1451 PolarHBondContact O-N 3.09Å; N1449-L1452 PolarHBondContact O-N 3.3Å; N1449-E1453 WeakPolarHBondContact O-CB 3.04Å; N1449-E1453 WeakPolarHBondContact O-CG 3.47Å; N1449-E1453 PolarHBondContact O-N 3.22Å
1450	N	73.5	Confident	64.6	Low	90 Å²	90	67.3 Å²	67.3	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-35	173.3	-86.3	-85.4	0	0	0	112.9	N1446 G1447 F1448 Q1454	N1446-N1450 WeakPolarHBondContact O-CB 3.27Å; N1446-N1450 PolarHBondContact O-N 3.18Å; N1446-N1450 PolarHBondContact O-ND2 2.88Å; G1447-N1450 PolarHBondContact O-N 2.74Å; F1448-N1450 VanDerWaalsContact C-N 3.33Å; F1448-N1450 PolarHBondContact O-N 2.85Å; N1450-Q1454 VanDerWaalsContact O-CG 3.28Å; N1450-Q1454 WeakPolarHBondContact O-CG 3.32Å; N1450-Q1454 PolarHBondContact O-N 3.45Å; N1450-Q1454 PolarHBondContact O-NE2 2.72Å
1451	W	74.1	Confident	64.4	Low	23 Å²	23	72 Å²	72	9%	0.087	36%	0.361	C	S	.	.	H	α-helix	trans	-71.1	-42.5	174.1	176.2	77.9	0	0	0	111.7	G1447 F1448 N1449 E1453 Q1454 Q1455 A1459 D1463 F1464 F1467	G1447-W1451 PolarHBondContact O-N 2.87Å; F1448-W1451 AromaticContact CD1-CE3 3.92Å; F1448-W1451 HydrophobicContact CD1-CE3 3.92Å; F1448-W1451 HydrophobicContact CD1-CZ3 4.36Å; F1448-W1451 HydrophobicContact CE1-CE3 4Å; F1448-W1451 HydrophobicContact CE1-CZ3 4.09Å; F1448-W1451 CarbonylContact O-C 3.59Å; F1448-W1451 WeakPolarHBondContact O-CB 3.35Å; F1448-W1451 PolarHBondContact O-N 3.34Å; F1448-W1451 VanDerWaalsContact O-N 3.1Å; N1449-W1451 VanDerWaalsContact C-N 3.32Å; N1449-W1451 PolarHBondContact O-N 3.09Å; W1451-E1453 PolarHBondContact O-N 2.66Å; W1451-Q1454 CarbonylContact O-C 3.58Å; W1451-Q1454 WeakPolarHBondContact O-CA 3.38Å; W1451-Q1454 WeakPolarHBondContact O-CB 3.44Å; W1451-Q1454 PolarHBondContact O-N 2.82Å; W1451-Q1455 HydrophobicContact CD2-CG 4.06Å; W1451-Q1455 HydrophobicContact CG-CG 4.46Å; W1451-Q1455 HydrophobicContact CH2-CG 4.45Å; W1451-Q1455 HydrophobicContact CZ2-CG 3.91Å; W1451-Q1455 WeakPolarHBondContact O-CG 3.33Å; W1451-Q1455 PolarHBondContact O-N 3.46Å; W1451-A1459 HydrophobicContact CH2-CB 3.53Å; W1451-A1459 HydrophobicContact CZ2-CB 4.1Å; W1451-A1459 HydrophobicContact CZ3-CB 4.21Å; W1451-D1463 HydrophobicContact CZ2-CB 4.33Å; W1451-D1463 WeakPolarHBondContact CZ2-O 3.45Å; W1451-F1464 HydrophobicContact CH2-CB 4.02Å; W1451-F1464 HydrophobicContact CH2-CD2 4.21Å; W1451-F1464 HydrophobicContact CZ3-CD2 4.08Å; W1451-F1467 HydrophobicContact CB-CD2 4.29Å; W1451-F1467 HydrophobicContact CB-CE2 3.8Å; W1451-F1467 HydrophobicContact CB-CZ 4.04Å; W1451-F1467 AromaticContact CD1-CD2 3.32Å; W1451-F1467 AromaticContact CD1-CE2 3.65Å; W1451-F1467 HydrophobicContact CD2-CB 4.31Å; W1451-F1467 HydrophobicContact CD2-CD1 4.16Å; W1451-F1467 AromaticContact CD2-CD2 3.87Å; W1451-F1467 HydrophobicContact CD2-CD2 3.87Å; W1451-F1467 HydrophobicContact CD2-CE1 4.5Å; W1451-F1467 HydrophobicContact CD2-CE2 4.23Å; W1451-F1467 AromaticContact CD2-CG 3.84Å; W1451-F1467 HydrophobicContact CD2-CG 3.84Å; W1451-F1467 AromaticContact CE2-CD2 3.81Å; W1451-F1467 AromaticContact CE2-CG 3.66Å; W1451-F1467 HydrophobicContact CE3-CD1 4.34Å; W1451-F1467 HydrophobicContact CE3-CG 4.42Å; W1451-F1467 AromaticContact CG-CD2 3.58Å; W1451-F1467 HydrophobicContact CG-CD2 3.58Å; W1451-F1467 AromaticContact CG-CE2 3.61Å; W1451-F1467 HydrophobicContact CG-CE2 3.61Å; W1451-F1467 HydrophobicContact CG-CG 4.07Å; W1451-F1467 HydrophobicContact CG-CZ 4.12Å; W1451-F1467 HydrophobicContact CH2-CB 4.34Å; W1451-F1467 HydrophobicContact CZ2-CB 3.66Å; W1451-F1467 HydrophobicContact CZ2-CG 4.12Å; W1451-F1467 AromaticContact NE1-CD2 3.43Å; W1451-F1467 AromaticContact NE1-CG 3.75Å
1452	L	65.8	Low	64.2	Low	33 Å²	33	76.3 Å²	76.3	17%	0.173	38%	0.381	C	S	.	.	H	α-helix	trans	-63	-39.1	175	-69.4	172.4	0	0	0	112.2	F1448 N1449 Q1454 Q1455 L1500 V1505	F1448-L1452 WeakPolarHBondContact O-CB 3.23Å; F1448-L1452 VanDerWaalsContact O-CG 3.3Å; F1448-L1452 WeakPolarHBondContact O-CG 3.47Å; F1448-L1452 PolarHBondContact O-N 3.16Å; N1449-L1452 PolarHBondContact O-N 3.3Å; L1452-Q1454 PolarHBondContact O-N 3.49Å; L1452-Q1455 CarbonylContact O-C 3.51Å; L1452-Q1455 PolarHBondContact O-N 3.2Å; L1452-L1500 HydrophobicContact CD1-CD1 4.31Å; L1452-L1500 HydrophobicContact CD1-CD2 3.85Å; L1452-V1505 HydrophobicContact CD1-CG1 4.03Å; L1452-V1505 HydrophobicContact CD2-CG1 3.57Å; L1452-V1505 HydrophobicContact CG-CG1 4.36Å
1453	E	70.1	Confident	64.2	Low	132 Å²	132	75 Å²	75	62%	0.617	38%	0.378	S	S	*	.	H	α-helix	trans	-66.7	-20.5	172.6	-77.3	-162.4	168.4	0	0	113.9	N1449 W1451 R1456	N1449-E1453 WeakPolarHBondContact O-CB 3.04Å; N1449-E1453 WeakPolarHBondContact O-CG 3.47Å; N1449-E1453 PolarHBondContact O-N 3.22Å; W1451-E1453 PolarHBondContact O-N 2.66Å; E1453-R1456 WeakPolarHBondContact O-CG 3.31Å; E1453-R1456 PolarHBondContact O-NE 3.08Å
1454	Q	68	Low	64.1	Low	145 Å²	145	70 Å²	70	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-83.1	-37.2	170.1	-70	169.1	31.1	0	0	111.5	N1450 W1451 L1452 R1456	N1450-Q1454 VanDerWaalsContact O-CG 3.28Å; N1450-Q1454 WeakPolarHBondContact O-CG 3.32Å; N1450-Q1454 PolarHBondContact O-N 3.45Å; N1450-Q1454 PolarHBondContact O-NE2 2.72Å; W1451-Q1454 CarbonylContact O-C 3.58Å; W1451-Q1454 WeakPolarHBondContact O-CA 3.38Å; W1451-Q1454 WeakPolarHBondContact O-CB 3.44Å; W1451-Q1454 PolarHBondContact O-N 2.82Å; L1452-Q1454 PolarHBondContact O-N 3.49Å; Q1454-R1456 PolarHBondContact O-N 2.95Å
1455	Q	63.7	Low	64.1	Low	68 Å²	68	71 Å²	71	32%	0.318	36%	0.363	S	S	.	.			trans	-81.8	47.9	179.9	-60.7	-67.2	18.3	0	0	113.7	W1451 L1452 N1457 G1458 A1459	W1451-Q1455 HydrophobicContact CD2-CG 4.06Å; W1451-Q1455 HydrophobicContact CG-CG 4.46Å; W1451-Q1455 HydrophobicContact CH2-CG 4.45Å; W1451-Q1455 HydrophobicContact CZ2-CG 3.91Å; W1451-Q1455 WeakPolarHBondContact O-CG 3.33Å; W1451-Q1455 PolarHBondContact O-N 3.46Å; L1452-Q1455 CarbonylContact O-C 3.51Å; L1452-Q1455 PolarHBondContact O-N 3.2Å; Q1455-N1457 PolarHBondContact O-N 3.31Å; Q1455-G1458 PolarHBondContact O-N 2.84Å; Q1455-G1458 VanDerWaalsContact O-N 3.11Å; Q1455-A1459 HydrophobicContact CB-CB 4.21Å; Q1455-A1459 HydrophobicContact CG-CB 4.29Å
1456	R	48.7	Very low	64.2	Low	207 Å²	207	73.7 Å²	73.7	78%	0.781	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-7.6	-169	-67.4	-168.3	169	-158.9	-8.3	117.7	E1453 Q1454	E1453-R1456 WeakPolarHBondContact O-CG 3.31Å; E1453-R1456 PolarHBondContact O-NE 3.08Å; Q1454-R1456 PolarHBondContact O-N 2.95Å
1457	N	50.5	Low	63.9	Low	167 Å²	167	70.2 Å²	70.2	89%	0.893	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	16.4	-177.7	-63.3	-28	0	0	0	113.1	Q1455	Q1455-N1457 PolarHBondContact O-N 3.31Å
1458	G	45.8	Very low	63.6	Low	55 Å²	55	71.1 Å²	71.1	57%	0.567	36%	0.356	S	S	*	.			trans	90.9	135.2	-174	0	0	0	0	0	111.6	Q1455	Q1455-G1458 PolarHBondContact O-N 2.84Å; Q1455-G1458 VanDerWaalsContact O-N 3.11Å
1459	A	54.7	Low	63.4	Low	3 Å²	3	77 Å²	77	3%	0.025	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-99.3	131.8	172	0	0	0	0	0	109.2	W1451 Q1455 D1463	W1451-A1459 HydrophobicContact CH2-CB 3.53Å; W1451-A1459 HydrophobicContact CZ2-CB 4.1Å; W1451-A1459 HydrophobicContact CZ3-CB 4.21Å; Q1455-A1459 HydrophobicContact CB-CB 4.21Å; Q1455-A1459 HydrophobicContact CG-CB 4.29Å; A1459-D1463 HydrophobicContact CB-CB 4.25Å
1460	S	62.1	Low	63.3	Low	30 Å²	30	83.2 Å²	83.2	21%	0.21	40%	0.4	C	S	.	.			trans	-67.8	159.5	170	72.5	0	0	0	0	110	Q1462 D1463 F1464	S1460-Q1462 PolarHBondContact O-N 2.88Å; S1460-Q1462 VanDerWaalsContact O-N 3.13Å; S1460-Q1462 WeakPolarHBondContact OG-CB 3.32Å; S1460-Q1462 PolarHBondContact OG-N 2.86Å; S1460-D1463 WeakPolarHBondContact CB-OD2 3.32Å; S1460-D1463 PolarHBondContact N-OD2 2.72Å; S1460-D1463 VanDerWaalsContact N-OD2 3.13Å; S1460-D1463 PolarHBondContact O-N 3.44Å; S1460-D1463 VanDerWaalsContact O-N 3.07Å; S1460-D1463 PolarHBondContact OG-N 2.84Å; S1460-D1463 PolarHBondContact OG-OD2 3.37Å; S1460-F1464 PolarHBondContact O-N 3.39Å; S1460-F1464 VanDerWaalsContact O-N 3.07Å
1461	Y	59.8	Low	62.8	Low	110 Å²	110	80.4 Å²	80.4	43%	0.431	39%	0.385	S	S	.	.	H	α-helix	trans	-55.2	-29.3	170	-174.5	-98.5	0	0	0	111.8	V1465	Y1461-V1465 HydrophobicContact CD1-CG2 4.14Å; Y1461-V1465 HydrophobicContact CE1-CG2 3.8Å; Y1461-V1465 WeakPolarHBondContact O-CB 3.35Å; Y1461-V1465 WeakPolarHBondContact O-CG2 3.27Å; Y1461-V1465 PolarHBondContact O-N 3.31Å
1462	Q	64.3	Low	62.2	Low	114 Å²	114	83.5 Å²	83.5	53%	0.533	40%	0.399	S	S	.	.	H	α-helix	trans	-71.7	-41	176.3	-154.9	70.5	7.7	0	0	112.6	S1460 F1464 V1465 D1466	S1460-Q1462 PolarHBondContact O-N 2.88Å; S1460-Q1462 VanDerWaalsContact O-N 3.13Å; S1460-Q1462 WeakPolarHBondContact OG-CB 3.32Å; S1460-Q1462 PolarHBondContact OG-N 2.86Å; Q1462-F1464 VanDerWaalsContact C-N 3.29Å; Q1462-F1464 PolarHBondContact O-N 2.6Å; Q1462-V1465 PolarHBondContact O-N 3.46Å; Q1462-D1466 WeakPolarHBondContact O-CB 3.3Å; Q1462-D1466 PolarHBondContact O-N 2.94Å
1463	D	67.2	Low	62.1	Low	72 Å²	72	90 Å²	90	39%	0.385	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-35.8	174.6	-66	-70	0	0	0	111.6	W1451 A1459 S1460 F1467	W1451-D1463 HydrophobicContact CZ2-CB 4.33Å; W1451-D1463 WeakPolarHBondContact CZ2-O 3.45Å; A1459-D1463 HydrophobicContact CB-CB 4.25Å; S1460-D1463 WeakPolarHBondContact CB-OD2 3.32Å; S1460-D1463 PolarHBondContact N-OD2 2.72Å; S1460-D1463 VanDerWaalsContact N-OD2 3.13Å; S1460-D1463 PolarHBondContact O-N 3.44Å; S1460-D1463 VanDerWaalsContact O-N 3.07Å; S1460-D1463 PolarHBondContact OG-N 2.84Å; S1460-D1463 PolarHBondContact OG-OD2 3.37Å; D1463-F1467 VanDerWaalsContact O-CB 3.3Å; D1463-F1467 WeakPolarHBondContact O-CB 3.35Å; D1463-F1467 PolarHBondContact O-N 3.05Å
1464	F	66.7	Low	61.7	Low	4 Å²	4	90.2 Å²	90.2	2%	0.018	42%	0.423	C	S	.	.	H	α-helix	trans	-65.2	-46.9	172.5	177.8	-92.8	0	0	0	111.7	F1448 W1451 S1460 Q1462 D1466 F1467 L1468 A1497 L1500 I1506	F1448-F1464 HydrophobicContact CD1-CE2 4.45Å; F1448-F1464 AromaticContact CE1-CD2 3.71Å; F1448-F1464 HydrophobicContact CE1-CD2 3.71Å; F1448-F1464 AromaticContact CE1-CE2 3.28Å; F1448-F1464 HydrophobicContact CE1-CE2 3.28Å; F1448-F1464 HydrophobicContact CE1-CZ 4.26Å; F1448-F1464 HydrophobicContact CE2-CE2 4.43Å; F1448-F1464 HydrophobicContact CZ-CD2 4.03Å; F1448-F1464 AromaticContact CZ-CE2 3.26Å; F1448-F1464 HydrophobicContact CZ-CE2 3.26Å; F1448-F1464 AromaticContact CZ-CZ 3.79Å; F1448-F1464 HydrophobicContact CZ-CZ 3.79Å; W1451-F1464 HydrophobicContact CH2-CB 4.02Å; W1451-F1464 HydrophobicContact CH2-CD2 4.21Å; W1451-F1464 HydrophobicContact CZ3-CD2 4.08Å; S1460-F1464 PolarHBondContact O-N 3.39Å; S1460-F1464 VanDerWaalsContact O-N 3.07Å; Q1462-F1464 VanDerWaalsContact C-N 3.29Å; Q1462-F1464 PolarHBondContact O-N 2.6Å; F1464-D1466 VanDerWaalsContact C-N 3.32Å; F1464-D1466 PolarHBondContact O-N 2.9Å; F1464-F1467 WeakPolarHBondContact O-CB 3.38Å; F1464-F1467 PolarHBondContact O-N 3.02Å; F1464-L1468 HydrophobicContact CD1-CD1 4.08Å; F1464-L1468 HydrophobicContact CE1-CD1 3.41Å; F1464-L1468 VanDerWaalsContact CE1-CD1 3.41Å; F1464-L1468 HydrophobicContact CE1-CG 4.12Å; F1464-L1468 HydrophobicContact CZ-CD1 3.82Å; F1464-L1468 HydrophobicContact CZ-CG 4.3Å; F1464-L1468 WeakPolarHBondContact O-CG 3.49Å; F1464-L1468 PolarHBondContact O-N 2.77Å; F1464-A1497 HydrophobicContact CE1-CB 3.39Å; F1464-A1497 HydrophobicContact CE2-CB 4.41Å; F1464-A1497 HydrophobicContact CZ-CB 3.31Å; F1464-L1500 HydrophobicContact CE2-CD1 4.22Å; F1464-I1506 HydrophobicContact CB-CD1 4.21Å; F1464-I1506 HydrophobicContact CB-CG2 4.09Å; F1464-I1506 HydrophobicContact CD1-CD1 4.43Å; F1464-I1506 HydrophobicContact CD2-CD1 3.21Å; F1464-I1506 HydrophobicContact CD2-CG1 4.18Å; F1464-I1506 HydrophobicContact CE2-CD1 3.53Å; F1464-I1506 HydrophobicContact CG-CD1 3.71Å; F1464-I1506 HydrophobicContact CZ-CD1 4.31Å
1465	V	64.5	Low	61.6	Low	36 Å²	36	83.9 Å²	83.9	22%	0.218	39%	0.394	C	S	.	.	H	α-helix	trans	-62.5	-37.7	175.5	164.7	0	0	0	0	111.8	Y1461 Q1462 L1468 K1469	Y1461-V1465 HydrophobicContact CD1-CG2 4.14Å; Y1461-V1465 HydrophobicContact CE1-CG2 3.8Å; Y1461-V1465 WeakPolarHBondContact O-CB 3.35Å; Y1461-V1465 WeakPolarHBondContact O-CG2 3.27Å; Y1461-V1465 PolarHBondContact O-N 3.31Å; Q1462-V1465 PolarHBondContact O-N 3.46Å; V1465-L1468 PolarHBondContact O-N 3.31Å; V1465-K1469 WeakPolarHBondContact O-CG 3.15Å; V1465-K1469 PolarHBondContact O-N 3.28Å
1466	D	67.4	Low	61.7	Low	68 Å²	68	83.7 Å²	83.7	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-78.9	-24.4	177.4	-76.7	-2.7	0	0	0	113.1	Q1462 F1464 K1469 R1470	Q1462-D1466 WeakPolarHBondContact O-CB 3.3Å; Q1462-D1466 PolarHBondContact O-N 2.94Å; F1464-D1466 VanDerWaalsContact C-N 3.32Å; F1464-D1466 PolarHBondContact O-N 2.9Å; D1466-K1469 WeakPolarHBondContact OD1-CD 3.32Å; D1466-K1469 WeakPolarHBondContact OD1-CE 3.44Å; D1466-K1469 IonicContact OD1-NZ 2.86Å; D1466-K1469 PolarHBondContact OD1-NZ 3.44Å; D1466-R1470 WeakPolarHBondContact O-CG 3.32Å; D1466-R1470 PolarHBondContact O-N 2.86Å; D1466-R1470 VanDerWaalsContact O-N 3.15Å
1467	F	68.2	Low	62.7	Low	20 Å²	20	75.1 Å²	75.1	9%	0.088	37%	0.371	C	S	.	.	H	α-helix	trans	-63.7	-48.6	163.6	172.9	-105.8	0	0	0	110.7	F1448 W1451 D1463 F1464 K1469 R1470 D1471	F1448-F1467 HydrophobicContact CD1-CD1 4.27Å; F1448-F1467 AromaticContact CD1-CE1 3.73Å; F1448-F1467 HydrophobicContact CD1-CE1 3.73Å; F1448-F1467 HydrophobicContact CD1-CZ 4.49Å; F1448-F1467 HydrophobicContact CD2-CE1 4.18Å; F1448-F1467 AromaticContact CE1-CD1 3.53Å; F1448-F1467 HydrophobicContact CE1-CD1 3.53Å; F1448-F1467 AromaticContact CE1-CE1 3.36Å; F1448-F1467 HydrophobicContact CE1-CE1 3.36Å; F1448-F1467 HydrophobicContact CE1-CZ 4.48Å; F1448-F1467 AromaticContact CE2-CE1 3.88Å; F1448-F1467 HydrophobicContact CE2-CE1 3.88Å; F1448-F1467 HydrophobicContact CG-CE1 4.11Å; F1448-F1467 AromaticContact CZ-CD1 3.69Å; F1448-F1467 HydrophobicContact CZ-CD1 3.69Å; F1448-F1467 AromaticContact CZ-CE1 3.46Å; F1448-F1467 HydrophobicContact CZ-CE1 3.46Å; F1448-F1467 VanDerWaalsContact CZ-CE1 3.46Å; W1451-F1467 HydrophobicContact CB-CD2 4.29Å; W1451-F1467 HydrophobicContact CB-CE2 3.8Å; W1451-F1467 HydrophobicContact CB-CZ 4.04Å; W1451-F1467 AromaticContact CD1-CD2 3.32Å; W1451-F1467 AromaticContact CD1-CE2 3.65Å; W1451-F1467 HydrophobicContact CD2-CB 4.31Å; W1451-F1467 HydrophobicContact CD2-CD1 4.16Å; W1451-F1467 AromaticContact CD2-CD2 3.87Å; W1451-F1467 HydrophobicContact CD2-CD2 3.87Å; W1451-F1467 HydrophobicContact CD2-CE1 4.5Å; W1451-F1467 HydrophobicContact CD2-CE2 4.23Å; W1451-F1467 AromaticContact CD2-CG 3.84Å; W1451-F1467 HydrophobicContact CD2-CG 3.84Å; W1451-F1467 AromaticContact CE2-CD2 3.81Å; W1451-F1467 AromaticContact CE2-CG 3.66Å; W1451-F1467 HydrophobicContact CE3-CD1 4.34Å; W1451-F1467 HydrophobicContact CE3-CG 4.42Å; W1451-F1467 AromaticContact CG-CD2 3.58Å; W1451-F1467 HydrophobicContact CG-CD2 3.58Å; W1451-F1467 AromaticContact CG-CE2 3.61Å; W1451-F1467 HydrophobicContact CG-CE2 3.61Å; W1451-F1467 HydrophobicContact CG-CG 4.07Å; W1451-F1467 HydrophobicContact CG-CZ 4.12Å; W1451-F1467 HydrophobicContact CH2-CB 4.34Å; W1451-F1467 HydrophobicContact CZ2-CB 3.66Å; W1451-F1467 HydrophobicContact CZ2-CG 4.12Å; W1451-F1467 AromaticContact NE1-CD2 3.43Å; W1451-F1467 AromaticContact NE1-CG 3.75Å; D1463-F1467 VanDerWaalsContact O-CB 3.3Å; D1463-F1467 WeakPolarHBondContact O-CB 3.35Å; D1463-F1467 PolarHBondContact O-N 3.05Å; F1464-F1467 WeakPolarHBondContact O-CB 3.38Å; F1464-F1467 PolarHBondContact O-N 3.02Å; F1467-K1469 VanDerWaalsContact C-N 3.35Å; F1467-K1469 PolarHBondContact O-N 3.21Å; F1467-R1470 WeakPolarHBondContact O-CB 3.42Å; F1467-R1470 PolarHBondContact O-N 2.91Å; F1467-D1471 PolarHBondContact O-N 3.14Å
1468	L	62.7	Low	63.2	Low	38 Å²	38	68.1 Å²	68.1	20%	0.199	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-36.7	176.7	-68.9	-175.1	0	0	0	113.1	F1448 F1464 V1465 R1470 K1472 V1493	F1448-L1468 HydrophobicContact CE2-CD2 4.13Å; F1448-L1468 HydrophobicContact CZ-CD2 3.79Å; F1464-L1468 HydrophobicContact CD1-CD1 4.08Å; F1464-L1468 HydrophobicContact CE1-CD1 3.41Å; F1464-L1468 VanDerWaalsContact CE1-CD1 3.41Å; F1464-L1468 HydrophobicContact CE1-CG 4.12Å; F1464-L1468 HydrophobicContact CZ-CD1 3.82Å; F1464-L1468 HydrophobicContact CZ-CG 4.3Å; F1464-L1468 WeakPolarHBondContact O-CG 3.49Å; F1464-L1468 PolarHBondContact O-N 2.77Å; V1465-L1468 PolarHBondContact O-N 3.31Å; L1468-R1470 VanDerWaalsContact C-N 3.31Å; L1468-R1470 PolarHBondContact O-N 2.99Å; L1468-K1472 PolarHBondContact O-N 2.81Å; L1468-V1493 HydrophobicContact CD1-CG1 3.4Å; L1468-V1493 VanDerWaalsContact CD1-CG1 3.4Å; L1468-V1493 HydrophobicContact CD2-CG1 3.46Å; L1468-V1493 VanDerWaalsContact CD2-CG1 3.46Å; L1468-V1493 HydrophobicContact CD2-CG2 4.37Å; L1468-V1493 HydrophobicContact CG-CG1 4.07Å
1469	K	64.9	Low	64.1	Low	126 Å²	126	66 Å²	66	55%	0.548	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-34.2	171.9	-72	171.5	-161.2	154.7	0	112.8	V1465 D1466 F1467	V1465-K1469 WeakPolarHBondContact O-CG 3.15Å; V1465-K1469 PolarHBondContact O-N 3.28Å; D1466-K1469 WeakPolarHBondContact OD1-CD 3.32Å; D1466-K1469 WeakPolarHBondContact OD1-CE 3.44Å; D1466-K1469 IonicContact OD1-NZ 2.86Å; D1466-K1469 PolarHBondContact OD1-NZ 3.44Å; F1467-K1469 VanDerWaalsContact C-N 3.35Å; F1467-K1469 PolarHBondContact O-N 3.21Å
1470	R	66.4	Low	64.9	Low	207 Å²	207	70.4 Å²	70.4	78%	0.781	34%	0.337	S	S	*	.	H	α-helix	trans	-73.4	-47.7	175.5	-81.2	179	171.3	146.7	1	112	D1466 F1467 L1468 K1472	D1466-R1470 WeakPolarHBondContact O-CG 3.32Å; D1466-R1470 PolarHBondContact O-N 2.86Å; D1466-R1470 VanDerWaalsContact O-N 3.15Å; F1467-R1470 WeakPolarHBondContact O-CB 3.42Å; F1467-R1470 PolarHBondContact O-N 2.91Å; L1468-R1470 VanDerWaalsContact C-N 3.31Å; L1468-R1470 PolarHBondContact O-N 2.99Å; R1470-K1472 PolarHBondContact O-N 3.46Å
1471	D	62.9	Low	65.3	Low	31 Å²	31	74.5 Å²	74.5	17%	0.166	36%	0.357	C	S	.	.	H	α-helix	trans	-76.5	-1.2	179.5	-102	23.9	0	0	0	112.7	F1467 Q1473 R1474 M1475	F1467-D1471 PolarHBondContact O-N 3.14Å; D1471-Q1473 PolarHBondContact O-N 2.91Å; D1471-R1474 HydrophobicContact CB-CB 4.25Å; D1471-R1474 VanDerWaalsContact CG-CD 3.4Å; D1471-R1474 CarbonylContact O-C 3.53Å; D1471-R1474 VanDerWaalsContact O-CA 3.23Å; D1471-R1474 WeakPolarHBondContact O-CA 3.3Å; D1471-R1474 WeakPolarHBondContact O-CB 3.41Å; D1471-R1474 PolarHBondContact O-N 3.01Å; D1471-R1474 WeakPolarHBondContact OD1-CD 3.23Å; D1471-R1474 IonicContact OD1-CZ 3.99Å; D1471-R1474 IonicContact OD1-NH1 3.47Å; D1471-R1474 PolarHBondContact OD1-NH1 2.94Å; D1471-R1474 VanDerWaalsContact OD2-CD 3.29Å; D1471-R1474 WeakPolarHBondContact OD2-CD 3.48Å; D1471-R1474 IonicContact OD2-CZ 2.7Å; D1471-R1474 IonicContact OD2-NH1 3.25Å; D1471-R1474 PolarHBondContact OD2-NH1 2.92Å; D1471-M1475 WeakPolarHBondContact O-CG 3.33Å; D1471-M1475 PolarHBondContact O-N 2.95Å
1472	K	61.5	Low	65.2	Low	87 Å²	87	72.3 Å²	72.3	38%	0.378	35%	0.348	S	S	.	.	H	α-helix	trans	-55.9	-44.4	176.2	-169.3	161.1	-178.9	126.5	0	113.3	L1468 R1470 R1474 M1475 D1476 E1490	L1468-K1472 PolarHBondContact O-N 2.81Å; R1470-K1472 PolarHBondContact O-N 3.46Å; K1472-R1474 PolarHBondContact O-N 2.86Å; K1472-R1474 VanDerWaalsContact O-N 3.08Å; K1472-M1475 WeakPolarHBondContact O-CB 3Å; K1472-M1475 PolarHBondContact O-N 3.3Å; K1472-D1476 PolarHBondContact O-N 3.37Å; K1472-D1476 VanDerWaalsContact O-OD2 3.12Å; K1472-E1490 IonicContact NZ-OE1 3.82Å; K1472-E1490 PolarHBondContact NZ-OE1 2.97Å
1473	Q	64.4	Low	64.9	Low	171 Å²	171	75.6 Å²	75.6	80%	0.799	36%	0.363	S	S	*	.	H	α-helix	trans	-59.6	-23.3	172.2	-68	-170.8	-43.2	0	0	113.6	D1471 G1477	D1471-Q1473 PolarHBondContact O-N 2.91Å; Q1473-G1477 PolarHBondContact O-N 3.05Å
1474	R	62.4	Low	64.5	Low	136 Å²	136	73.4 Å²	73.4	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-88.7	-30.6	178.6	-143.3	-179.8	-176.7	-168	2.3	111.4	D1471 K1472 G1477 I1478	D1471-R1474 HydrophobicContact CB-CB 4.25Å; D1471-R1474 VanDerWaalsContact CG-CD 3.4Å; D1471-R1474 CarbonylContact O-C 3.53Å; D1471-R1474 VanDerWaalsContact O-CA 3.23Å; D1471-R1474 WeakPolarHBondContact O-CA 3.3Å; D1471-R1474 WeakPolarHBondContact O-CB 3.41Å; D1471-R1474 PolarHBondContact O-N 3.01Å; D1471-R1474 WeakPolarHBondContact OD1-CD 3.23Å; D1471-R1474 IonicContact OD1-CZ 3.99Å; D1471-R1474 IonicContact OD1-NH1 3.47Å; D1471-R1474 PolarHBondContact OD1-NH1 2.94Å; D1471-R1474 VanDerWaalsContact OD2-CD 3.29Å; D1471-R1474 WeakPolarHBondContact OD2-CD 3.48Å; D1471-R1474 IonicContact OD2-CZ 2.7Å; D1471-R1474 IonicContact OD2-NH1 3.25Å; D1471-R1474 PolarHBondContact OD2-NH1 2.92Å; K1472-R1474 PolarHBondContact O-N 2.86Å; K1472-R1474 VanDerWaalsContact O-N 3.08Å; R1474-G1477 CarbonylContact O-C 3.35Å; R1474-G1477 PolarHBondContact O-N 2.95Å; R1474-I1478 WeakPolarHBondContact O-CB 3.39Å; R1474-I1478 WeakPolarHBondContact O-CG1 3.34Å; R1474-I1478 PolarHBondContact O-N 3.07Å
1475	M	64.1	Low	64.5	Low	12 Å²	12	76.9 Å²	76.9	6%	0.059	37%	0.374	C	S	.	.	H	α-helix	trans	-68	-43.6	170.8	-56.9	-98.9	-71.9	0	0	109.7	I1444 D1471 K1472 G1477 I1478 A1479 V1489 E1490 V1493	I1444-M1475 HydrophobicContact CD1-SD 4.18Å; D1471-M1475 WeakPolarHBondContact O-CG 3.33Å; D1471-M1475 PolarHBondContact O-N 2.95Å; K1472-M1475 WeakPolarHBondContact O-CB 3Å; K1472-M1475 PolarHBondContact O-N 3.3Å; M1475-G1477 VanDerWaalsContact C-N 3.33Å; M1475-G1477 PolarHBondContact O-N 3.36Å; M1475-I1478 PolarHBondContact O-N 3.48Å; M1475-I1478 VanDerWaalsContact O-N 3.17Å; M1475-A1479 WeakPolarHBondContact O-CB 3.42Å; M1475-A1479 PolarHBondContact O-N 3.11Å; M1475-V1489 HydrophobicContact CB-CG1 4.06Å; M1475-V1489 HydrophobicContact CE-CB 4.34Å; M1475-V1489 HydrophobicContact CE-CG1 3.66Å; M1475-V1489 HydrophobicContact CG-CG1 4.37Å; M1475-V1489 HydrophobicContact SD-CG1 3.47Å; M1475-V1489 WeakPolarHBondContact SD-CG1 3.16Å; M1475-E1490 HydrophobicContact CE-CG 3.91Å; M1475-V1493 HydrophobicContact CE-CB 3.92Å; M1475-V1493 HydrophobicContact CE-CG1 4.25Å; M1475-V1493 HydrophobicContact CE-CG2 3.59Å; M1475-V1493 HydrophobicContact SD-CG2 3.7Å
1476	D	65.7	Low	64.6	Low	64 Å²	64	77.1 Å²	77.1	34%	0.342	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-42.4	170.5	-54.3	-31.3	0	0	0	110.9	K1472 I1478 T1480	K1472-D1476 PolarHBondContact O-N 3.37Å; K1472-D1476 VanDerWaalsContact O-OD2 3.12Å; D1476-I1478 VanDerWaalsContact C-N 3.34Å; D1476-I1478 PolarHBondContact O-N 3.47Å; D1476-T1480 PolarHBondContact O-N 3.03Å; D1476-T1480 VanDerWaalsContact O-N 3.11Å; D1476-T1480 PolarHBondContact O-OG1 2.98Å
1477	G	70.5	Confident	64.1	Low	27 Å²	27	77.3 Å²	77.3	28%	0.278	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-32.2	173.4	0	0	0	0	0	114.3	Q1473 R1474 M1475 T1480 D1481	Q1473-G1477 PolarHBondContact O-N 3.05Å; R1474-G1477 CarbonylContact O-C 3.35Å; R1474-G1477 PolarHBondContact O-N 2.95Å; M1475-G1477 VanDerWaalsContact C-N 3.33Å; M1475-G1477 PolarHBondContact O-N 3.36Å; G1477-T1480 WeakPolarHBondContact CA-OG1 3.14Å; G1477-T1480 PolarHBondContact O-OG1 2.96Å; G1477-T1480 VanDerWaalsContact O-OG1 3.06Å; G1477-D1481 VanDerWaalsContact O-CB 3.32Å; G1477-D1481 WeakPolarHBondContact O-CB 3.12Å; G1477-D1481 PolarHBondContact O-N 3.4Å
1478	I	62.1	Low	63.9	Low	20 Å²	20	81.4 Å²	81.4	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-83.1	-34.1	179	-75.8	168.1	0	0	0	111.6	W1440 I1444 R1474 M1475 D1476 T1480 Y1482	W1440-I1478 HydrophobicContact CB-CG2 3.66Å; W1440-I1478 HydrophobicContact CD2-CG2 3.98Å; W1440-I1478 HydrophobicContact CE3-CG2 3.79Å; W1440-I1478 HydrophobicContact CG-CG2 3.98Å; I1444-I1478 HydrophobicContact CD1-CD1 3.7Å; I1444-I1478 HydrophobicContact CD1-CG2 4.13Å; I1444-I1478 HydrophobicContact CG1-CD1 3.48Å; I1444-I1478 VanDerWaalsContact CG1-CD1 3.48Å; R1474-I1478 WeakPolarHBondContact O-CB 3.39Å; R1474-I1478 WeakPolarHBondContact O-CG1 3.34Å; R1474-I1478 PolarHBondContact O-N 3.07Å; M1475-I1478 PolarHBondContact O-N 3.48Å; M1475-I1478 VanDerWaalsContact O-N 3.17Å; D1476-I1478 VanDerWaalsContact C-N 3.34Å; D1476-I1478 PolarHBondContact O-N 3.47Å; I1478-T1480 VanDerWaalsContact C-N 3.28Å; I1478-T1480 PolarHBondContact O-N 2.66Å; I1478-Y1482 HydrophobicContact CG2-CD2 4.18Å; I1478-Y1482 WeakPolarHBondContact O-CB 3.19Å; I1478-Y1482 PolarHBondContact O-N 3.28Å; I1478-Y1482 VanDerWaalsContact O-N 3.13Å
1479	A	64.5	Low	64	Low	11 Å²	11	79.6 Å²	79.6	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-56.4	-44.3	167.8	0	0	0	0	0	111.1	M1475 H1483 V1484 V1486 V1489	M1475-A1479 WeakPolarHBondContact O-CB 3.42Å; M1475-A1479 PolarHBondContact O-N 3.11Å; A1479-H1483 WeakPolarHBondContact O-CA 3.23Å; A1479-H1483 PolarHBondContact O-N 3.09Å; A1479-H1483 VanDerWaalsContact O-N 3.12Å; A1479-V1484 CarbonylContact C-O 3.58Å; A1479-V1484 WeakPolarHBondContact CA-O 3.5Å; A1479-V1484 WeakPolarHBondContact CB-O 3.49Å; A1479-V1484 PolarHBondContact O-N 3.2Å; A1479-V1484 VanDerWaalsContact O-N 3.12Å; A1479-V1486 HydrophobicContact CB-CG2 3.78Å; A1479-V1489 HydrophobicContact CB-CG2 4.37Å
1480	T	70.8	Confident	64	Low	95 Å²	95	76.7 Å²	76.7	58%	0.583	37%	0.373	S	S	*	.	H	α-helix	trans	-72.6	-46.2	176	38.2	0	0	0	0	113.9	D1476 G1477 I1478 Y1482	D1476-T1480 PolarHBondContact O-N 3.03Å; D1476-T1480 VanDerWaalsContact O-N 3.11Å; D1476-T1480 PolarHBondContact O-OG1 2.98Å; G1477-T1480 WeakPolarHBondContact CA-OG1 3.14Å; G1477-T1480 PolarHBondContact O-OG1 2.96Å; G1477-T1480 VanDerWaalsContact O-OG1 3.06Å; I1478-T1480 VanDerWaalsContact C-N 3.28Å; I1478-T1480 PolarHBondContact O-N 2.66Å; T1480-Y1482 PolarHBondContact O-N 3.22Å
1481	D	70.9	Confident	63.8	Low	116 Å²	116	72.4 Å²	72.4	62%	0.62	36%	0.36	S	S	*	.	H	α-helix	trans	-60.1	-28.5	178.9	-96.7	5.9	0	0	0	113.7	G1477	G1477-D1481 VanDerWaalsContact O-CB 3.32Å; G1477-D1481 WeakPolarHBondContact O-CB 3.12Å; G1477-D1481 PolarHBondContact O-N 3.4Å
1482	Y	57.3	Low	64.2	Low	64 Å²	64	71.7 Å²	71.7	25%	0.251	36%	0.355	S	S	.	.	H	α-helix	trans	-121.8	4.3	-169.9	-71.5	-88.9	0	0	0	115.5	Q1439 W1440 K1443 I1478 T1480 V1484	Q1439-Y1482 HydrophobicContact CB-CE1 3.94Å; W1440-Y1482 HydrophobicContact CB-CD1 3.94Å; W1440-Y1482 HydrophobicContact CB-CD2 3.46Å; W1440-Y1482 VanDerWaalsContact CB-CD2 3.46Å; W1440-Y1482 HydrophobicContact CB-CE1 4.1Å; W1440-Y1482 HydrophobicContact CB-CE2 3.64Å; W1440-Y1482 HydrophobicContact CB-CG 3.62Å; W1440-Y1482 AromaticContact CD1-CG 3.84Å; W1440-Y1482 HydrophobicContact CG-CD1 4.4Å; W1440-Y1482 HydrophobicContact CG-CD2 4.27Å; W1440-Y1482 HydrophobicContact CG-CG 4.04Å; K1443-Y1482 HydrophobicContact CD-CE2 4.23Å; K1443-Y1482 WeakPolarHBondContact CD-OH 3.28Å; K1443-Y1482 WeakPolarHBondContact CE-OH 3.48Å; K1443-Y1482 PolarHBondContact NZ-OH 2.79Å; I1478-Y1482 HydrophobicContact CG2-CD2 4.18Å; I1478-Y1482 WeakPolarHBondContact O-CB 3.19Å; I1478-Y1482 PolarHBondContact O-N 3.28Å; I1478-Y1482 VanDerWaalsContact O-N 3.13Å; T1480-Y1482 PolarHBondContact O-N 3.22Å; Y1482-V1484 VanDerWaalsContact C-N 3.34Å; Y1482-V1484 PolarHBondContact O-N 2.78Å
1483	H	57.3	Low	64.4	Low	182 Å²	182	67.8 Å²	67.8	84%	0.843	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	43.9	-176.8	-56.6	-37.2	0	0	0	113.7	A1479	A1479-H1483 WeakPolarHBondContact O-CA 3.23Å; A1479-H1483 PolarHBondContact O-N 3.09Å; A1479-H1483 VanDerWaalsContact O-N 3.12Å
1484	V	59	Low	64.3	Low	27 Å²	27	65.5 Å²	65.5	16%	0.164	33%	0.327	C	S	.	.			trans	-117.5	142	179.2	173.9	0	0	0	0	108.6	W1440 A1479 Y1482 Q1488 V1489	W1440-V1484 HydrophobicContact CZ2-CG1 3.8Å; A1479-V1484 CarbonylContact C-O 3.58Å; A1479-V1484 WeakPolarHBondContact CA-O 3.5Å; A1479-V1484 WeakPolarHBondContact CB-O 3.49Å; A1479-V1484 PolarHBondContact O-N 3.2Å; A1479-V1484 VanDerWaalsContact O-N 3.12Å; Y1482-V1484 VanDerWaalsContact C-N 3.34Å; Y1482-V1484 PolarHBondContact O-N 2.78Å; V1484-Q1488 HydrophobicContact CG1-CB 3.49Å; V1484-Q1488 VanDerWaalsContact CG1-CB 3.49Å; V1484-Q1488 HydrophobicContact CG1-CG 4.44Å; V1484-V1489 HydrophobicContact CB-CG2 4.49Å; V1484-V1489 HydrophobicContact CG1-CG2 3.88Å
1485	T	67.7	Low	64.3	Low	76 Å²	76	64.4 Å²	64.4	47%	0.466	33%	0.326	S	S	.	.			trans	-71.5	147.8	-178.7	64.6	0	0	0	0	111.4	E1487 Q1488 V1489	T1485-E1487 PolarHBondContact O-N 3.01Å; T1485-E1487 VanDerWaalsContact O-N 3.15Å; T1485-Q1488 WeakPolarHBondContact O-CB 3.36Å; T1485-Q1488 PolarHBondContact O-N 3.24Å; T1485-Q1488 VanDerWaalsContact OG1-CG 3.29Å; T1485-Q1488 WeakPolarHBondContact OG1-CG 3.22Å; T1485-Q1488 PolarHBondContact OG1-N 2.77Å; T1485-Q1488 PolarHBondContact OG1-OE1 3.08Å; T1485-V1489 PolarHBondContact O-N 3.23Å; T1485-V1489 VanDerWaalsContact O-N 3.09Å
1486	V	65.5	Low	64.2	Low	42 Å²	42	64.4 Å²	64.4	26%	0.255	33%	0.326	S	S	.	.	H	α-helix	trans	-54.8	-35	175.1	179.8	0	0	0	0	111	A1479 V1489 E1490	A1479-V1486 HydrophobicContact CB-CG2 3.78Å; V1486-V1489 PolarHBondContact O-N 2.97Å; V1486-E1490 HydrophobicContact CG1-CG 4.44Å; V1486-E1490 PolarHBondContact O-N 3.48Å
1487	E	57.6	Low	63.8	Low	71 Å²	71	62.2 Å²	62.2	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-43.5	170.3	-78.1	-174.3	-127.2	0	0	114.2	Q627 T1485 V1489 E1490 K1491	Q627-E1487 PolarHBondContact NE2-OE1 3.1Å; T1485-E1487 PolarHBondContact O-N 3.01Å; T1485-E1487 VanDerWaalsContact O-N 3.15Å; E1487-V1489 VanDerWaalsContact C-N 3.3Å; E1487-E1490 PolarHBondContact O-N 3.44Å; E1487-K1491 WeakPolarHBondContact O-CB 3.34Å; E1487-K1491 WeakPolarHBondContact O-CD 3.5Å; E1487-K1491 WeakPolarHBondContact O-CG 3.29Å; E1487-K1491 PolarHBondContact O-N 3.23Å; E1487-K1491 IonicContact OE2-NZ 2.7Å; E1487-K1491 PolarHBondContact OE2-NZ 3.35Å
1488	Q	63.3	Low	62.9	Low	106 Å²	106	64 Å²	64	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-67.1	-35.3	178	-76.8	165.2	-35.8	0	0	111.1	V1484 T1485 W1492	V1484-Q1488 HydrophobicContact CG1-CB 3.49Å; V1484-Q1488 VanDerWaalsContact CG1-CB 3.49Å; V1484-Q1488 HydrophobicContact CG1-CG 4.44Å; T1485-Q1488 WeakPolarHBondContact O-CB 3.36Å; T1485-Q1488 PolarHBondContact O-N 3.24Å; T1485-Q1488 VanDerWaalsContact OG1-CG 3.29Å; T1485-Q1488 WeakPolarHBondContact OG1-CG 3.22Å; T1485-Q1488 PolarHBondContact OG1-N 2.77Å; T1485-Q1488 PolarHBondContact OG1-OE1 3.08Å; Q1488-W1492 WeakPolarHBondContact O-CB 3.24Å; Q1488-W1492 PolarHBondContact O-N 3.09Å
1489	V	65.9	Low	62.6	Low	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-69	-44.5	174	-169.2	0	0	0	0	110.8	W1440 I1444 M1475 A1479 V1484 T1485 V1486 E1487 W1492 V1493	W1440-V1489 HydrophobicContact CE3-CG1 4.45Å; W1440-V1489 HydrophobicContact CH2-CB 4.34Å; W1440-V1489 HydrophobicContact CH2-CG1 4.38Å; W1440-V1489 HydrophobicContact CH2-CG2 4.12Å; W1440-V1489 HydrophobicContact CZ3-CB 4.27Å; W1440-V1489 HydrophobicContact CZ3-CG1 3.82Å; W1440-V1489 HydrophobicContact CZ3-CG2 4.15Å; I1444-V1489 HydrophobicContact CD1-CG1 3.89Å; M1475-V1489 HydrophobicContact CB-CG1 4.06Å; M1475-V1489 HydrophobicContact CE-CB 4.34Å; M1475-V1489 HydrophobicContact CE-CG1 3.66Å; M1475-V1489 HydrophobicContact CG-CG1 4.37Å; M1475-V1489 HydrophobicContact SD-CG1 3.47Å; M1475-V1489 WeakPolarHBondContact SD-CG1 3.16Å; A1479-V1489 HydrophobicContact CB-CG2 4.37Å; V1484-V1489 HydrophobicContact CB-CG2 4.49Å; V1484-V1489 HydrophobicContact CG1-CG2 3.88Å; T1485-V1489 PolarHBondContact O-N 3.23Å; T1485-V1489 VanDerWaalsContact O-N 3.09Å; V1486-V1489 PolarHBondContact O-N 2.97Å; E1487-V1489 VanDerWaalsContact C-N 3.3Å; V1489-W1492 PolarHBondContact O-N 3.01Å; V1489-V1493 WeakPolarHBondContact O-CB 3.32Å; V1489-V1493 PolarHBondContact O-N 3.18Å
1490	E	64.4	Low	62.5	Low	65 Å²	65	66.2 Å²	66.2	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-41.3	175.3	-75.6	-166.6	158.9	0	0	112.9	K1472 M1475 V1486 E1487 W1492 V1493 Q1494	K1472-E1490 IonicContact NZ-OE1 3.82Å; K1472-E1490 PolarHBondContact NZ-OE1 2.97Å; M1475-E1490 HydrophobicContact CE-CG 3.91Å; V1486-E1490 HydrophobicContact CG1-CG 4.44Å; V1486-E1490 PolarHBondContact O-N 3.48Å; E1487-E1490 PolarHBondContact O-N 3.44Å; E1490-W1492 PolarHBondContact O-N 3Å; E1490-V1493 CarbonylContact O-C 3.59Å; E1490-V1493 PolarHBondContact O-N 3.24Å; E1490-Q1494 WeakPolarHBondContact O-CB 3.26Å; E1490-Q1494 VanDerWaalsContact O-CG 3.3Å; E1490-Q1494 WeakPolarHBondContact O-CG 3.47Å; E1490-Q1494 PolarHBondContact O-N 2.97Å
1491	K	62.2	Low	61.9	Low	118 Å²	118	62.3 Å²	62.3	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-39.7	175.9	-76.3	163.1	177.3	163.5	0	111.7	E1487 Q1494 K1495	E1487-K1491 WeakPolarHBondContact O-CB 3.34Å; E1487-K1491 WeakPolarHBondContact O-CD 3.5Å; E1487-K1491 WeakPolarHBondContact O-CG 3.29Å; E1487-K1491 PolarHBondContact O-N 3.23Å; E1487-K1491 IonicContact OE2-NZ 2.7Å; E1487-K1491 PolarHBondContact OE2-NZ 3.35Å; K1491-Q1494 PolarHBondContact O-N 2.98Å; K1491-K1495 PolarHBondContact O-N 3.05Å
1492	W	70.8	Confident	60.6	Low	16 Å²	16	59.9 Å²	59.9	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-41.2	172.7	-177.2	83.6	0	0	0	111.9	W1440 Q1441 I1444 Q1488 V1489 E1490 Q1494 K1495 E1496	W1440-W1492 HydrophobicContact CH2-CB 3.92Å; W1440-W1492 HydrophobicContact CH2-CD2 4.37Å; W1440-W1492 HydrophobicContact CH2-CG 4.08Å; W1440-W1492 HydrophobicContact CZ3-CB 4.48Å; W1440-W1492 HydrophobicContact CZ3-CD2 4.24Å; W1440-W1492 HydrophobicContact CZ3-CE3 4.09Å; W1440-W1492 HydrophobicContact CZ3-CG 4.42Å; Q1441-W1492 HydrophobicContact CB-CH2 4.47Å; Q1441-W1492 HydrophobicContact CB-CZ2 3.8Å; Q1441-W1492 HydrophobicContact CG-CD2 3.91Å; Q1441-W1492 HydrophobicContact CG-CG 4.09Å; Q1441-W1492 HydrophobicContact CG-CZ2 4.12Å; I1444-W1492 HydrophobicContact CB-CH2 4.2Å; I1444-W1492 HydrophobicContact CB-CZ3 3.84Å; I1444-W1492 HydrophobicContact CG2-CH2 4.22Å; I1444-W1492 HydrophobicContact CG2-CZ3 3.58Å; Q1488-W1492 WeakPolarHBondContact O-CB 3.24Å; Q1488-W1492 PolarHBondContact O-N 3.09Å; V1489-W1492 PolarHBondContact O-N 3.01Å; E1490-W1492 PolarHBondContact O-N 3Å; W1492-Q1494 VanDerWaalsContact C-N 3.33Å; W1492-Q1494 PolarHBondContact O-N 2.77Å; W1492-K1495 WeakPolarHBondContact O-CB 3.36Å; W1492-K1495 PolarHBondContact O-N 3.31Å; W1492-E1496 HydrophobicContact CH2-CG 4.48Å; W1492-E1496 PolarHBondContact O-N 3.35Å
1493	V	65.8	Low	60	Low	4 Å²	4	59.9 Å²	59.9	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-34.4	173.8	152.4	0	0	0	0	112.7	F1448 L1468 M1475 V1489 E1490 E1496 A1497	F1448-V1493 HydrophobicContact CE2-CG2 4.38Å; L1468-V1493 HydrophobicContact CD1-CG1 3.4Å; L1468-V1493 VanDerWaalsContact CD1-CG1 3.4Å; L1468-V1493 HydrophobicContact CD2-CG1 3.46Å; L1468-V1493 VanDerWaalsContact CD2-CG1 3.46Å; L1468-V1493 HydrophobicContact CD2-CG2 4.37Å; L1468-V1493 HydrophobicContact CG-CG1 4.07Å; M1475-V1493 HydrophobicContact CE-CB 3.92Å; M1475-V1493 HydrophobicContact CE-CG1 4.25Å; M1475-V1493 HydrophobicContact CE-CG2 3.59Å; M1475-V1493 HydrophobicContact SD-CG2 3.7Å; V1489-V1493 WeakPolarHBondContact O-CB 3.32Å; V1489-V1493 PolarHBondContact O-N 3.18Å; E1490-V1493 CarbonylContact O-C 3.59Å; E1490-V1493 PolarHBondContact O-N 3.24Å; V1493-E1496 PolarHBondContact O-N 2.91Å; V1493-A1497 VanDerWaalsContact O-CB 3.31Å; V1493-A1497 WeakPolarHBondContact O-CB 3.46Å; V1493-A1497 PolarHBondContact O-N 3.44Å
1494	Q	62	Low	59.5	Low	124 Å²	124	53.8 Å²	53.8	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-70.1	-38.3	174.6	-73.1	172.3	17.8	0	0	112	E1490 K1491 W1492 A1497 A1498	E1490-Q1494 WeakPolarHBondContact O-CB 3.26Å; E1490-Q1494 VanDerWaalsContact O-CG 3.3Å; E1490-Q1494 WeakPolarHBondContact O-CG 3.47Å; E1490-Q1494 PolarHBondContact O-N 2.97Å; K1491-Q1494 PolarHBondContact O-N 2.98Å; W1492-Q1494 VanDerWaalsContact C-N 3.33Å; W1492-Q1494 PolarHBondContact O-N 2.77Å; Q1494-A1497 WeakPolarHBondContact O-CB 3.49Å; Q1494-A1497 PolarHBondContact O-N 3.12Å; Q1494-A1498 PolarHBondContact O-N 2.84Å
1495	K	62.5	Low	59.6	Low	112 Å²	112	55.1 Å²	55.1	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-55.8	-49.9	167	-91.1	-175.6	170.2	-173.4	0	111	E1435 K1491 W1492 A1497 A1498 R1499	E1435-K1495 IonicContact OE1-NZ 3.2Å; E1435-K1495 PolarHBondContact OE1-NZ 3.45Å; E1435-K1495 IonicContact OE2-NZ 2.72Å; E1435-K1495 PolarHBondContact OE2-NZ 3.21Å; K1491-K1495 PolarHBondContact O-N 3.05Å; W1492-K1495 WeakPolarHBondContact O-CB 3.36Å; W1492-K1495 PolarHBondContact O-N 3.31Å; K1495-A1497 PolarHBondContact O-N 3.26Å; K1495-A1498 PolarHBondContact O-N 3.04Å; K1495-R1499 PolarHBondContact O-N 2.94Å
1496	E	61.6	Low	59	Low	13 Å²	13	51.7 Å²	51.7	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-69.8	-32.8	-177.3	-165.4	66.5	177.7	0	0	112.3	W1492 V1493 R1499 L1500	W1492-E1496 HydrophobicContact CH2-CG 4.48Å; W1492-E1496 PolarHBondContact O-N 3.35Å; V1493-E1496 PolarHBondContact O-N 2.91Å; E1496-R1499 PolarHBondContact O-N 3.46Å; E1496-R1499 IonicContact OE1-CZ 3.65Å; E1496-R1499 IonicContact OE1-NE 3.81Å; E1496-R1499 PolarHBondContact OE1-NE 3.04Å; E1496-R1499 IonicContact OE1-NH2 2.67Å; E1496-R1499 PolarHBondContact OE1-NH2 3.26Å; E1496-R1499 IonicContact OE2-CZ 2.97Å; E1496-R1499 IonicContact OE2-NE 3.76Å; E1496-R1499 PolarHBondContact OE2-NE 3.25Å; E1496-R1499 IonicContact OE2-NH2 2.73Å; E1496-L1500 HydrophobicContact CG-CD1 4.22Å; E1496-L1500 WeakPolarHBondContact O-CB 3.39Å; E1496-L1500 VanDerWaalsContact O-CG 3.31Å; E1496-L1500 WeakPolarHBondContact O-CG 3.31Å; E1496-L1500 PolarHBondContact O-N 3.36Å
1497	A	57.1	Low	58.3	Low	18 Å²	18	56.2 Å²	56.2	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-49.9	170.1	0	0	0	0	0	111.8	F1464 V1493 Q1494 K1495 R1499 L1500 S1501	F1464-A1497 HydrophobicContact CE1-CB 3.39Å; F1464-A1497 HydrophobicContact CE2-CB 4.41Å; F1464-A1497 HydrophobicContact CZ-CB 3.31Å; V1493-A1497 VanDerWaalsContact O-CB 3.31Å; V1493-A1497 WeakPolarHBondContact O-CB 3.46Å; V1493-A1497 PolarHBondContact O-N 3.44Å; Q1494-A1497 WeakPolarHBondContact O-CB 3.49Å; Q1494-A1497 PolarHBondContact O-N 3.12Å; K1495-A1497 PolarHBondContact O-N 3.26Å; A1497-R1499 VanDerWaalsContact C-N 3.33Å; A1497-R1499 PolarHBondContact O-N 3.27Å; A1497-L1500 PolarHBondContact O-N 3.1Å; A1497-S1501 WeakPolarHBondContact O-CB 3.32Å; A1497-S1501 PolarHBondContact O-N 2.69Å
1498	A	52.2	Low	57.7	Low	63 Å²	63	59.7 Å²	59.7	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-42.7	177.2	0	0	0	0	0	110.8	Q1494 K1495 S1501 L1502	Q1494-A1498 PolarHBondContact O-N 2.84Å; K1495-A1498 PolarHBondContact O-N 3.04Å; A1498-S1501 PolarHBondContact O-N 2.85Å; A1498-L1502 WeakPolarHBondContact O-CB 3.32Å; A1498-L1502 PolarHBondContact O-N 3.01Å
1499	R	57	Low	56.7	Low	72 Å²	72	57.8 Å²	57.8	27%	0.272	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-48.3	177	-160.1	-178.6	73.9	78.6	3	112.4	K1495 E1496 A1497 S1501 L1502 I1503	K1495-R1499 PolarHBondContact O-N 2.94Å; E1496-R1499 PolarHBondContact O-N 3.46Å; E1496-R1499 IonicContact OE1-CZ 3.65Å; E1496-R1499 IonicContact OE1-NE 3.81Å; E1496-R1499 PolarHBondContact OE1-NE 3.04Å; E1496-R1499 IonicContact OE1-NH2 2.67Å; E1496-R1499 PolarHBondContact OE1-NH2 3.26Å; E1496-R1499 IonicContact OE2-CZ 2.97Å; E1496-R1499 IonicContact OE2-NE 3.76Å; E1496-R1499 PolarHBondContact OE2-NE 3.25Å; E1496-R1499 IonicContact OE2-NH2 2.73Å; A1497-R1499 VanDerWaalsContact C-N 3.33Å; A1497-R1499 PolarHBondContact O-N 3.27Å; R1499-S1501 VanDerWaalsContact C-N 3.32Å; R1499-S1501 PolarHBondContact O-N 2.75Å; R1499-L1502 WeakPolarHBondContact O-CB 3.27Å; R1499-L1502 PolarHBondContact O-N 2.78Å; R1499-I1503 HydrophobicContact CG-CD1 3.98Å; R1499-I1503 VanDerWaalsContact NH1-CD1 3.29Å; R1499-I1503 WeakPolarHBondContact O-CD1 3.43Å; R1499-I1503 VanDerWaalsContact O-CG1 3.29Å; R1499-I1503 WeakPolarHBondContact O-CG1 3.49Å; R1499-I1503 PolarHBondContact O-N 2.9Å; R1499-I1503 VanDerWaalsContact O-N 3.09Å
1500	L	60.5	Low	55.7	Low	6 Å²	6	66.7 Å²	66.7	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-68.6	-28.8	179.4	-70.6	170.3	0	0	0	113.1	F1448 L1452 F1464 E1496 A1497 G1504 V1505 I1506	F1448-L1500 HydrophobicContact CD1-CD1 4.21Å; F1448-L1500 HydrophobicContact CE1-CD1 4.34Å; L1452-L1500 HydrophobicContact CD1-CD1 4.31Å; L1452-L1500 HydrophobicContact CD1-CD2 3.85Å; F1464-L1500 HydrophobicContact CE2-CD1 4.22Å; E1496-L1500 HydrophobicContact CG-CD1 4.22Å; E1496-L1500 WeakPolarHBondContact O-CB 3.39Å; E1496-L1500 VanDerWaalsContact O-CG 3.31Å; E1496-L1500 WeakPolarHBondContact O-CG 3.31Å; E1496-L1500 PolarHBondContact O-N 3.36Å; A1497-L1500 PolarHBondContact O-N 3.1Å; L1500-G1504 PolarHBondContact O-N 3.17Å; L1500-V1505 HydrophobicContact CB-CB 4.5Å; L1500-V1505 HydrophobicContact CD2-CB 4.15Å; L1500-V1505 HydrophobicContact CD2-CG1 4.29Å; L1500-V1505 HydrophobicContact CD2-CG2 4.22Å; L1500-V1505 PolarHBondContact O-N 2.89Å; L1500-I1506 HydrophobicContact CB-CD1 3.42Å; L1500-I1506 VanDerWaalsContact CB-CD1 3.42Å; L1500-I1506 HydrophobicContact CB-CG1 4.06Å; L1500-I1506 HydrophobicContact CD1-CD1 4.1Å; L1500-I1506 HydrophobicContact CG-CD1 4.41Å; L1500-I1506 PolarHBondContact O-N 2.97Å
1501	S	58.2	Low	54.4	Low	14 Å²	14	70.6 Å²	70.6	10%	0.098	36%	0.364	C	S	.	.	H	α-helix	trans	-79	-29.1	172.8	-162.4	0	0	0	0	112.9	A1497 A1498 R1499 G1504 R1508	A1497-S1501 WeakPolarHBondContact O-CB 3.32Å; A1497-S1501 PolarHBondContact O-N 2.69Å; A1498-S1501 PolarHBondContact O-N 2.85Å; R1499-S1501 VanDerWaalsContact C-N 3.32Å; R1499-S1501 PolarHBondContact O-N 2.75Å; S1501-G1504 PolarHBondContact O-N 3.21Å; S1501-R1508 WeakPolarHBondContact O-CG 3.41Å; S1501-R1508 PolarHBondContact O-NE 2.83Å; S1501-R1508 VanDerWaalsContact O-NE 3.13Å
1502	L	44.7	Very low	52.8	Low	64 Å²	64	71.6 Å²	71.6	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-64.1	-53.4	172	-151.8	79.4	0	0	0	110.2	Q1383 E1384 A1498 R1499 G1504 R1508	Q1383-L1502 HydrophobicContact CB-CD2 3.7Å; Q1383-L1502 HydrophobicContact CG-CD2 4.07Å; E1384-L1502 HydrophobicContact CG-CD2 4.12Å; A1498-L1502 WeakPolarHBondContact O-CB 3.32Å; A1498-L1502 PolarHBondContact O-N 3.01Å; R1499-L1502 WeakPolarHBondContact O-CB 3.27Å; R1499-L1502 PolarHBondContact O-N 2.78Å; L1502-G1504 PolarHBondContact O-N 2.9Å; L1502-G1504 VanDerWaalsContact O-N 3.13Å; L1502-R1508 PolarHBondContact O-NH2 2.66Å
1503	I	45.5	Very low	50.8	Low	65 Å²	65	77.4 Å²	77.4	33%	0.333	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.2	-178.9	-59.2	164.2	0	0	0	112.2	E1384 R1499 V1505	E1384-I1503 HydrophobicContact CB-CD1 4.33Å; E1384-I1503 HydrophobicContact CB-CG1 4.02Å; E1384-I1503 HydrophobicContact CG-CG1 3.8Å; R1499-I1503 HydrophobicContact CG-CD1 3.98Å; R1499-I1503 VanDerWaalsContact NH1-CD1 3.29Å; R1499-I1503 WeakPolarHBondContact O-CD1 3.43Å; R1499-I1503 VanDerWaalsContact O-CG1 3.29Å; R1499-I1503 WeakPolarHBondContact O-CG1 3.49Å; R1499-I1503 PolarHBondContact O-N 2.9Å; R1499-I1503 VanDerWaalsContact O-N 3.09Å; I1503-V1505 HydrophobicContact CB-CG2 4.17Å; I1503-V1505 HydrophobicContact CG2-CG2 3.81Å
1504	G	45.3	Very low	49.1	Very low	53 Å²	53	86.1 Å²	86.1	55%	0.546	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	22.1	176.7	0	0	0	0	0	114.5	L1500 S1501 L1502 I1506	L1500-G1504 PolarHBondContact O-N 3.17Å; S1501-G1504 PolarHBondContact O-N 3.21Å; L1502-G1504 PolarHBondContact O-N 2.9Å; L1502-G1504 VanDerWaalsContact O-N 3.13Å; G1504-I1506 VanDerWaalsContact C-N 3.34Å
1505	V	61.1	Low	47.7	Very low	56 Å²	56	87.9 Å²	87.9	34%	0.339	45%	0.446	S	S	.	.	S	Bend	trans	-78.4	-25.2	175.4	-172.9	0	0	0	0	111.3	L1452 L1500 I1503	L1452-V1505 HydrophobicContact CD1-CG1 4.03Å; L1452-V1505 HydrophobicContact CD2-CG1 3.57Å; L1452-V1505 HydrophobicContact CG-CG1 4.36Å; L1500-V1505 HydrophobicContact CB-CB 4.5Å; L1500-V1505 HydrophobicContact CD2-CB 4.15Å; L1500-V1505 HydrophobicContact CD2-CG1 4.29Å; L1500-V1505 HydrophobicContact CD2-CG2 4.22Å; L1500-V1505 PolarHBondContact O-N 2.89Å; I1503-V1505 HydrophobicContact CB-CG2 4.17Å; I1503-V1505 HydrophobicContact CG2-CG2 3.81Å
1506	I	55.3	Low	46.2	Very low	4 Å²	4	85.3 Å²	85.3	2%	0.021	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-124.4	142.3	173.5	-50.7	159.3	0	0	0	107.2	F1464 L1500 G1504	F1464-I1506 HydrophobicContact CB-CD1 4.21Å; F1464-I1506 HydrophobicContact CB-CG2 4.09Å; F1464-I1506 HydrophobicContact CD1-CD1 4.43Å; F1464-I1506 HydrophobicContact CD2-CD1 3.21Å; F1464-I1506 HydrophobicContact CD2-CG1 4.18Å; F1464-I1506 HydrophobicContact CE2-CD1 3.53Å; F1464-I1506 HydrophobicContact CG-CD1 3.71Å; F1464-I1506 HydrophobicContact CZ-CD1 4.31Å; L1500-I1506 HydrophobicContact CB-CD1 3.42Å; L1500-I1506 VanDerWaalsContact CB-CD1 3.42Å; L1500-I1506 HydrophobicContact CB-CG1 4.06Å; L1500-I1506 HydrophobicContact CD1-CD1 4.1Å; L1500-I1506 HydrophobicContact CG-CD1 4.41Å; L1500-I1506 PolarHBondContact O-N 2.97Å; G1504-I1506 VanDerWaalsContact C-N 3.34Å
1507	E	51.3	Low	44.7	Very low	136 Å²	136	91.3 Å²	91.3	64%	0.636	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-55.6	139.5	175.3	-68.6	-177.9	125.8	0	0	112.2
1508	R	45.7	Very low	43.6	Very low	144 Å²	144	93.1 Å²	93.1	54%	0.543	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-76.8	139.5	-176.9	-73.1	-177.9	176.6	-179.5	1.5	111.5	S1501 L1502 E1510	S1501-R1508 WeakPolarHBondContact O-CG 3.41Å; S1501-R1508 PolarHBondContact O-NE 2.83Å; S1501-R1508 VanDerWaalsContact O-NE 3.13Å; L1502-R1508 PolarHBondContact O-NH2 2.66Å; R1508-E1510 PolarHBondContact O-N 3.05Å
1509	P	41.6	Very low	42.8	Very low	66 Å²	66	92 Å²	92	43%	0.429	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-64	133	172	27.2	-33.5	0	0	0	110.6	N1511	P1509-N1511 PolarHBondContact O-N 3.37Å
1510	E	44.9	Very low	41.9	Very low	187 Å²	187	91.1 Å²	91.1	87%	0.874	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.9	-160.4	-59.2	-175.6	116.8	0	0	115.9	R1508	R1508-E1510 PolarHBondContact O-N 3.05Å
1511	N	36.3	Very low	41.1	Very low	148 Å²	148	92 Å²	92	79%	0.791	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.1	-160.2	-69	-12.7	0	0	0	116.7	P1509	P1509-N1511 PolarHBondContact O-N 3.37Å
1512	N	30.5	Very low	40.7	Very low	139 Å²	139	94.7 Å²	94.7	74%	0.743	48%	0.477	S	S	*	.	S	Bend	trans	-110	16	-161.1	-74.6	12.5	0	0	0	116.9
1513	L	28.1	Very low	40.5	Very low	138 Å²	138	95.9 Å²	95.9	72%	0.723	49%	0.486	S	S	*	.			trans	-145.9	114	-178.3	-76.6	173.3	0	0	0	115
1514	K	30.5	Very low	40.1	Very low	187 Å²	187	93.9 Å²	93.9	81%	0.813	48%	0.482	S	S	*	.			trans	148	135.7	148.5	-81.6	152.8	-171.2	169.4	0	111.4
1515	Y	31.4	Very low	39.9	Very low	161 Å²	161	98.8 Å²	98.8	63%	0.631	50%	0.496	S	S	*	.				167.1	-20.8	112.8	-106.8	-76.6	0	0	0	117.5	D1517 I1518	Y1515-D1517 PolarHBondContact O-N 3.22Å; Y1515-I1518 HydrophobicContact CD1-CD1 4.19Å; Y1515-I1518 HydrophobicContact CE1-CD1 4.16Å
1516	E	30.6	Very low	38.9	Very low	58 Å²	58	102.5 Å²	102.5	27%	0.271	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-59.6	-42.7	-156.9	-73.1	161.4	-144.9	0	0	117.7	S697 G699 K702 I1518 S1519	S697-E1516 VanDerWaalsContact O-OE1 3.13Å; G699-E1516 WeakPolarHBondContact CA-OE1 3.39Å; G699-E1516 WeakPolarHBondContact CA-OE2 3.18Å; G699-E1516 PolarHBondContact N-OE1 3.32Å; K702-E1516 WeakPolarHBondContact CD-OE2 3.45Å; K702-E1516 VanDerWaalsContact CE-OE2 3.32Å; K702-E1516 WeakPolarHBondContact CE-OE2 3.36Å; K702-E1516 IonicContact NZ-OE2 2.76Å; K702-E1516 PolarHBondContact NZ-OE2 2.97Å; E1516-I1518 PolarHBondContact O-N 3.11Å; E1516-S1519 WeakPolarHBondContact O-CB 3.25Å; E1516-S1519 PolarHBondContact O-N 3.06Å; E1516-S1519 VanDerWaalsContact O-N 3.08Å; E1516-S1519 PolarHBondContact O-OG 2.91Å
1517	D	31.6	Very low	38.6	Very low	138 Å²	138	107.4 Å²	107.4	74%	0.738	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-63.2	-10.2	-170.7	-66	-37.6	0	0	0	114.9	Y1515	Y1515-D1517 PolarHBondContact O-N 3.22Å
1518	I	34	Very low	38.6	Very low	57 Å²	57	102.4 Å²	102.4	29%	0.292	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-82.8	-23.7	179.1	-66.5	170.5	0	0	0	112	Y1515 E1516 N1520 W1522 L1579	Y1515-I1518 HydrophobicContact CD1-CD1 4.19Å; Y1515-I1518 HydrophobicContact CE1-CD1 4.16Å; E1516-I1518 PolarHBondContact O-N 3.11Å; I1518-N1520 PolarHBondContact O-N 3.45Å; I1518-W1522 PolarHBondContact O-NE1 3.05Å; I1518-L1579 HydrophobicContact CG2-CD2 4.03Å
1519	S	35.8	Very low	39.6	Very low	40 Å²	40	98.7 Å²	98.7	28%	0.28	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-63.8	-34.2	-162.2	57.1	0	0	0	0	115.9	E1516 I1521 W1522	E1516-S1519 WeakPolarHBondContact O-CB 3.25Å; E1516-S1519 PolarHBondContact O-N 3.06Å; E1516-S1519 VanDerWaalsContact O-N 3.08Å; E1516-S1519 PolarHBondContact O-OG 2.91Å; S1519-I1521 PolarHBondContact O-N 3.23Å; S1519-W1522 WeakPolarHBondContact O-CB 3.39Å; S1519-W1522 PolarHBondContact O-N 3.29Å
1520	N	37.9	Very low	41.4	Very low	52 Å²	52	96.3 Å²	96.3	28%	0.278	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-54.6	-27.6	-175.1	-64.5	-15	0	0	0	115.4	Q706 Q710 I1518 W1522	Q706-N1520 WeakPolarHBondContact CB-OD1 3.49Å; Q706-N1520 WeakPolarHBondContact CG-OD1 3.16Å; Q706-N1520 PolarHBondContact NE2-ND2 2.81Å; Q706-N1520 PolarHBondContact NE2-OD1 3.23Å; Q706-N1520 PolarHBondContact OE1-OD1 3.5Å; Q710-N1520 PolarHBondContact NE2-O 3.38Å; I1518-N1520 PolarHBondContact O-N 3.45Å; N1520-W1522 PolarHBondContact O-N 3.44Å
1521	I	43.2	Very low	43	Very low	26 Å²	26	88.5 Å²	88.5	13%	0.133	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-79	-11.4	-175.7	-71.6	165.9	0	0	0	111.5	S1519 D1576 L1579 W1580	S1519-I1521 PolarHBondContact O-N 3.23Å; I1521-D1576 HydrophobicContact CD1-CB 4.07Å; I1521-D1576 HydrophobicContact CG1-CB 4.39Å; I1521-L1579 HydrophobicContact CD1-CB 4.27Å; I1521-L1579 HydrophobicContact CD1-CD2 4.18Å; I1521-W1580 HydrophobicContact CG2-CB 3.57Å; I1521-W1580 HydrophobicContact CG2-CG 3.96Å
1522	W	48.9	Very low	44.7	Very low	69 Å²	69	85.3 Å²	85.3	26%	0.261	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-40.7	-162.7	-64.3	86.8	0	0	0	116.5	I1518 S1519 N1520 Q1583	I1518-W1522 PolarHBondContact O-NE1 3.05Å; S1519-W1522 WeakPolarHBondContact O-CB 3.39Å; S1519-W1522 PolarHBondContact O-N 3.29Å; N1520-W1522 PolarHBondContact O-N 3.44Å; W1522-Q1583 HydrophobicContact CH2-CB 3.42Å; W1522-Q1583 VanDerWaalsContact CH2-CB 3.42Å; W1522-Q1583 HydrophobicContact CH2-CG 3.41Å; W1522-Q1583 VanDerWaalsContact CH2-CG 3.41Å; W1522-Q1583 HydrophobicContact CZ2-CB 3.38Å; W1522-Q1583 HydrophobicContact CZ2-CG 3.38Å; W1522-Q1583 HydrophobicContact CZ3-CB 4.39Å; W1522-Q1583 HydrophobicContact CZ3-CG 3.97Å
1523	V	41.8	Very low	47	Very low	89 Å²	89	82.5 Å²	82.5	54%	0.539	42%	0.424	S	S	.	.			trans	-83.8	-20.1	-158.7	-168.3	0	0	0	0	113.8	D1525	V1523-D1525 PolarHBondContact O-N 3.45Å
1524	G	37.1	Very low	49.5	Very low	24 Å²	24	75.9 Å²	75.9	25%	0.247	39%	0.39	C	S	.	.			trans	-60.4	95.6	-176.6	0	0	0	0	0	114.2	Q1526	G1524-Q1526 PolarHBondContact O-N 2.85Å
1525	D	40.5	Very low	51.8	Low	156 Å²	156	67.6 Å²	67.6	83%	0.834	36%	0.355	S	S	*	.			trans	-67.1	11.6	-177.7	-149.4	21.6	0	0	0	114.5	V1523	V1523-D1525 PolarHBondContact O-N 3.45Å
1526	Q	40.6	Very low	54	Low	134 Å²	134	64.2 Å²	64.2	63%	0.626	35%	0.351	S	S	*	.	S	Bend	trans	-104.4	123.7	167.9	-71.7	-177.3	-12.8	0	0	109.1	G1524 D1528	G1524-Q1526 PolarHBondContact O-N 2.85Å; Q1526-D1528 VanDerWaalsContact C-N 3.34Å; Q1526-D1528 PolarHBondContact O-N 3.03Å
1527	T	48.7	Very low	56.3	Low	107 Å²	107	65.4 Å²	65.4	66%	0.656	35%	0.353	S	S	*	.			trans	-70.8	88	175.1	60.8	0	0	0	0	111.1	S1529 N1532	T1527-S1529 PolarHBondContact O-N 2.78Å; T1527-N1532 WeakPolarHBondContact CB-ND2 3.29Å; T1527-N1532 PolarHBondContact OG1-ND2 3.4Å
1528	D	52.1	Low	58.7	Low	30 Å²	30	59 Å²	59	16%	0.16	32%	0.319	C	S	.	.			trans	-52.7	130	168.9	-52.4	-59.5	0	0	0	108.7	K714 Q1526 W1530 K1531	K714-D1528 IonicContact NZ-OD1 3.87Å; K714-D1528 PolarHBondContact NZ-OD1 3.4Å; Q1526-D1528 VanDerWaalsContact C-N 3.34Å; Q1526-D1528 PolarHBondContact O-N 3.03Å; D1528-W1530 HydrophobicContact CB-CG 4.43Å; D1528-W1530 PolarHBondContact O-N 3.36Å; D1528-K1531 HydrophobicContact CB-CD 4.16Å; D1528-K1531 HydrophobicContact CB-CG 4.32Å; D1528-K1531 WeakPolarHBondContact O-CB 3.41Å; D1528-K1531 PolarHBondContact O-N 2.65Å; D1528-K1531 VanDerWaalsContact OD2-CE 3.3Å; D1528-K1531 WeakPolarHBondContact OD2-CE 3.49Å; D1528-K1531 IonicContact OD2-NZ 2.71Å; D1528-K1531 PolarHBondContact OD2-NZ 3.21Å
1529	S	65.8	Low	60.8	Low	66 Å²	66	62.6 Å²	62.6	46%	0.462	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-26.8	-167.7	45.9	0	0	0	0	113.4	T1527 N1532 E1533 Y1570	T1527-S1529 PolarHBondContact O-N 2.78Å; S1529-N1532 PolarHBondContact O-N 3.15Å; S1529-E1533 WeakPolarHBondContact O-CB 3.05Å; S1529-E1533 PolarHBondContact O-N 3.26Å; S1529-Y1570 WeakPolarHBondContact OG-CE1 3.35Å; S1529-Y1570 PolarHBondContact OG-OH 2.82Å
1530	W	78.7	Confident	62.8	Low	16 Å²	16	64 Å²	64	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-36.4	173.9	70.1	-94.2	0	0	0	114	D1528 E1533 L1534 I1566 Y1570 V1572 I1577 W1580	D1528-W1530 HydrophobicContact CB-CG 4.43Å; D1528-W1530 PolarHBondContact O-N 3.36Å; W1530-E1533 PolarHBondContact O-N 3.42Å; W1530-L1534 HydrophobicContact CE3-CD1 3.58Å; W1530-L1534 HydrophobicContact CE3-CG 4.37Å; W1530-L1534 HydrophobicContact CZ3-CD1 3.75Å; W1530-L1534 WeakPolarHBondContact O-CB 3.43Å; W1530-L1534 WeakPolarHBondContact O-CG 3.16Å; W1530-L1534 PolarHBondContact O-N 3.47Å; W1530-I1566 HydrophobicContact CB-CG2 3.66Å; W1530-I1566 HydrophobicContact CD2-CG2 4.25Å; W1530-I1566 HydrophobicContact CE3-CG2 4.19Å; W1530-I1566 HydrophobicContact CG-CG2 4.08Å; W1530-Y1570 HydrophobicContact CB-CD1 4.29Å; W1530-Y1570 HydrophobicContact CB-CD2 3.61Å; W1530-Y1570 HydrophobicContact CB-CE1 4.28Å; W1530-Y1570 HydrophobicContact CB-CE2 3.6Å; W1530-Y1570 HydrophobicContact CB-CG 3.94Å; W1530-Y1570 AromaticContact CD1-CD1 3.65Å; W1530-Y1570 AromaticContact CD1-CG 3.56Å; W1530-Y1570 HydrophobicContact CG-CD1 4.34Å; W1530-Y1570 HydrophobicContact CG-CD2 4.14Å; W1530-Y1570 HydrophobicContact CG-CG 4.01Å; W1530-V1572 HydrophobicContact CH2-CG1 4.14Å; W1530-V1572 HydrophobicContact CZ2-CG1 4.09Å; W1530-V1572 HydrophobicContact CZ2-CG2 3.83Å; W1530-I1577 HydrophobicContact CZ3-CG1 4.04Å; W1530-W1580 HydrophobicContact CH2-CB 4.38Å; W1530-W1580 HydrophobicContact CH2-CD2 4.34Å; W1530-W1580 HydrophobicContact CH2-CG 4.21Å; W1530-W1580 HydrophobicContact CZ3-CD2 4.16Å; W1530-W1580 AromaticContact CZ3-CE3 3.98Å; W1530-W1580 HydrophobicContact CZ3-CE3 3.98Å; W1530-W1580 HydrophobicContact CZ3-CG 4.41Å
1531	K	78.1	Confident	64.6	Low	24 Å²	24	65.4 Å²	65.4	10%	0.104	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-50.4	175.8	-70.9	175.2	175.7	157.6	0	109.4	D1528 E1533 L1534 V1535 W1580	D1528-K1531 HydrophobicContact CB-CD 4.16Å; D1528-K1531 HydrophobicContact CB-CG 4.32Å; D1528-K1531 WeakPolarHBondContact O-CB 3.41Å; D1528-K1531 PolarHBondContact O-N 2.65Å; D1528-K1531 VanDerWaalsContact OD2-CE 3.3Å; D1528-K1531 WeakPolarHBondContact OD2-CE 3.49Å; D1528-K1531 IonicContact OD2-NZ 2.71Å; D1528-K1531 PolarHBondContact OD2-NZ 3.21Å; K1531-E1533 PolarHBondContact O-N 2.84Å; K1531-L1534 PolarHBondContact O-N 2.78Å; K1531-V1535 PolarHBondContact O-N 3.46Å; K1531-W1580 HydrophobicContact CB-CH2 3.61Å; K1531-W1580 HydrophobicContact CB-CZ2 3.49Å; K1531-W1580 VanDerWaalsContact CB-CZ2 3.49Å; K1531-W1580 HydrophobicContact CB-CZ3 4.3Å; K1531-W1580 HydrophobicContact CD-CZ2 4.17Å; K1531-W1580 HydrophobicContact CG-CD2 4.22Å; K1531-W1580 HydrophobicContact CG-CH2 4.11Å; K1531-W1580 HydrophobicContact CG-CZ2 3.69Å; K1531-W1580 WeakPolarHBondContact O-CH2 3.2Å
1532	N	73.2	Confident	66	Low	80 Å²	80	64.6 Å²	64.6	43%	0.428	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-41.3	174.4	-84.5	-26	0	0	0	112.8	T1527 S1529 T1536	T1527-N1532 WeakPolarHBondContact CB-ND2 3.29Å; T1527-N1532 PolarHBondContact OG1-ND2 3.4Å; S1529-N1532 PolarHBondContact O-N 3.15Å; N1532-T1536 WeakPolarHBondContact O-CB 3.36Å; N1532-T1536 PolarHBondContact O-N 3.25Å; N1532-T1536 PolarHBondContact O-OG1 3.05Å
1533	E	78.2	Confident	66.5	Low	80 Å²	80	71.6 Å²	71.6	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-65.5	-42.9	178.7	-166.7	-177.5	163.6	0	0	111.9	S1529 W1530 K1531 T1536 R1537	S1529-E1533 WeakPolarHBondContact O-CB 3.05Å; S1529-E1533 PolarHBondContact O-N 3.26Å; W1530-E1533 PolarHBondContact O-N 3.42Å; K1531-E1533 PolarHBondContact O-N 2.84Å; E1533-T1536 PolarHBondContact O-N 2.83Å; E1533-R1537 WeakPolarHBondContact O-CB 3.3Å; E1533-R1537 PolarHBondContact O-N 3.42Å; E1533-R1537 IonicContact OE1-NH1 2.88Å; E1533-R1537 PolarHBondContact OE1-NH1 3.38Å
1534	L	81.7	Confident	67.6	Low	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-65.5	-49.5	176.8	-78.7	-174.2	0	0	0	112.7	W1530 K1531 T1536 R1537 L1538 F1563 I1566 I1577 W1580 L1581	W1530-L1534 HydrophobicContact CE3-CD1 3.58Å; W1530-L1534 HydrophobicContact CE3-CG 4.37Å; W1530-L1534 HydrophobicContact CZ3-CD1 3.75Å; W1530-L1534 WeakPolarHBondContact O-CB 3.43Å; W1530-L1534 WeakPolarHBondContact O-CG 3.16Å; W1530-L1534 PolarHBondContact O-N 3.47Å; K1531-L1534 PolarHBondContact O-N 2.78Å; L1534-T1536 VanDerWaalsContact C-N 3.31Å; L1534-T1536 PolarHBondContact O-N 3.21Å; L1534-R1537 CarbonylContact O-C 3.58Å; L1534-R1537 WeakPolarHBondContact O-CA 3.41Å; L1534-R1537 VanDerWaalsContact O-CB 3.3Å; L1534-R1537 WeakPolarHBondContact O-CB 3.24Å; L1534-R1537 PolarHBondContact O-N 2.9Å; L1534-R1537 VanDerWaalsContact O-N 3.13Å; L1534-L1538 PolarHBondContact O-N 3.36Å; L1534-F1563 HydrophobicContact CD2-CD1 3.93Å; L1534-F1563 HydrophobicContact CD2-CE1 3.73Å; L1534-I1566 HydrophobicContact CD2-CD1 3.57Å; L1534-I1566 HydrophobicContact CG-CD1 3.89Å; L1534-I1577 HydrophobicContact CD1-CG2 3.77Å; L1534-W1580 HydrophobicContact CB-CZ3 3.83Å; L1534-W1580 HydrophobicContact CD1-CE3 4.2Å; L1534-W1580 HydrophobicContact CD1-CZ3 4.25Å; L1534-L1581 HydrophobicContact CB-CD2 4.14Å; L1534-L1581 HydrophobicContact CD1-CD1 4.24Å; L1534-L1581 HydrophobicContact CD1-CD2 4.28Å; L1534-L1581 HydrophobicContact CD1-CG 4.18Å
1535	V	77.4	Confident	68.9	Low	13 Å²	13	82.3 Å²	82.3	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-63.2	-38.4	176.5	146.6	0	0	0	0	111	K1531 R1537 L1538 R1539 W1580 E1588	K1531-V1535 PolarHBondContact O-N 3.46Å; V1535-R1537 VanDerWaalsContact C-N 3.33Å; V1535-R1537 PolarHBondContact O-N 3.44Å; V1535-L1538 PolarHBondContact O-N 2.88Å; V1535-R1539 HydrophobicContact CG1-CG 4.27Å; V1535-R1539 VanDerWaalsContact O-CB 3.31Å; V1535-R1539 WeakPolarHBondContact O-CB 3.46Å; V1535-R1539 VanDerWaalsContact O-CG 3.27Å; V1535-R1539 WeakPolarHBondContact O-CG 3.26Å; V1535-R1539 PolarHBondContact O-N 2.72Å; V1535-W1580 HydrophobicContact CB-CH2 4.15Å; V1535-W1580 HydrophobicContact CG2-CH2 3.45Å; V1535-W1580 VanDerWaalsContact CG2-CH2 3.45Å; V1535-W1580 HydrophobicContact CG2-CZ2 4.37Å; V1535-W1580 HydrophobicContact CG2-CZ3 3.95Å; V1535-E1588 VanDerWaalsContact CG1-OE1 3.31Å; V1535-E1588 WeakPolarHBondContact CG1-OE1 3.42Å
1536	T	77.4	Confident	70	Confident	89 Å²	89	77.6 Å²	77.6	55%	0.546	38%	0.381	S	S	.	.	H	α-helix	trans	-63.3	-40.2	173.4	-58.1	0	0	0	0	111.3	N1532 E1533 L1534 S1540	N1532-T1536 WeakPolarHBondContact O-CB 3.36Å; N1532-T1536 PolarHBondContact O-N 3.25Å; N1532-T1536 PolarHBondContact O-OG1 3.05Å; E1533-T1536 PolarHBondContact O-N 2.83Å; L1534-T1536 VanDerWaalsContact C-N 3.31Å; L1534-T1536 PolarHBondContact O-N 3.21Å; T1536-S1540 WeakPolarHBondContact O-CB 3.36Å; T1536-S1540 PolarHBondContact O-N 2.71Å
1537	R	80.7	Confident	71.6	Confident	84 Å²	84	72.4 Å²	72.4	32%	0.317	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-46.3	171.3	-111	-178.4	175.8	105.9	-6.2	111.7	E1533 L1534 V1535 S1540 V1541	E1533-R1537 WeakPolarHBondContact O-CB 3.3Å; E1533-R1537 PolarHBondContact O-N 3.42Å; E1533-R1537 IonicContact OE1-NH1 2.88Å; E1533-R1537 PolarHBondContact OE1-NH1 3.38Å; L1534-R1537 CarbonylContact O-C 3.58Å; L1534-R1537 WeakPolarHBondContact O-CA 3.41Å; L1534-R1537 VanDerWaalsContact O-CB 3.3Å; L1534-R1537 WeakPolarHBondContact O-CB 3.24Å; L1534-R1537 PolarHBondContact O-N 2.9Å; L1534-R1537 VanDerWaalsContact O-N 3.13Å; V1535-R1537 VanDerWaalsContact C-N 3.33Å; V1535-R1537 PolarHBondContact O-N 3.44Å; R1537-S1540 WeakPolarHBondContact O-CB 3.46Å; R1537-S1540 PolarHBondContact O-N 3.04Å; R1537-S1540 PolarHBondContact O-OG 2.98Å; R1537-V1541 PolarHBondContact O-N 2.86Å
1538	L	80.8	Confident	72.8	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-48.8	-176	-150.4	135.7	0	0	0	111	L1534 V1535 S1540 V1541 T1542 F1552 Y1555 L1581 A1585 L1590	L1534-L1538 PolarHBondContact O-N 3.36Å; V1535-L1538 PolarHBondContact O-N 2.88Å; L1538-S1540 PolarHBondContact O-N 2.84Å; L1538-S1540 VanDerWaalsContact O-N 3.16Å; L1538-V1541 PolarHBondContact O-N 2.91Å; L1538-T1542 HydrophobicContact CD2-CG2 3.77Å; L1538-T1542 PolarHBondContact O-N 3.47Å; L1538-T1542 PolarHBondContact O-OG1 2.96Å; L1538-F1552 HydrophobicContact CD1-CD2 4.45Å; L1538-F1552 HydrophobicContact CD1-CE2 3.93Å; L1538-Y1555 HydrophobicContact CD1-CD1 4.11Å; L1538-Y1555 HydrophobicContact CD1-CE1 3.58Å; L1538-Y1555 HydrophobicContact CG-CE1 4.26Å; L1538-L1581 HydrophobicContact CD1-CD2 3.79Å; L1538-A1585 HydrophobicContact CD2-CB 4.39Å; L1538-L1590 HydrophobicContact CD2-CB 3.89Å; L1538-L1590 HydrophobicContact CD2-CD1 3.5Å; L1538-L1590 HydrophobicContact CD2-CG 4.32Å
1539	R	77.5	Confident	73.7	Confident	132 Å²	132	72.9 Å²	72.9	50%	0.498	35%	0.35	S	S	.	.	H	α-helix	trans	-55.5	-28.5	170.4	-69.4	177.1	-177.4	-179.5	6.3	113.3	V1535 V1541 R1543 E1588 L1590	V1535-R1539 HydrophobicContact CG1-CG 4.27Å; V1535-R1539 VanDerWaalsContact O-CB 3.31Å; V1535-R1539 WeakPolarHBondContact O-CB 3.46Å; V1535-R1539 VanDerWaalsContact O-CG 3.27Å; V1535-R1539 WeakPolarHBondContact O-CG 3.26Å; V1535-R1539 PolarHBondContact O-N 2.72Å; R1539-V1541 VanDerWaalsContact C-N 3.33Å; R1539-R1543 WeakPolarHBondContact O-CB 3.48Å; R1539-R1543 WeakPolarHBondContact O-CG 3.08Å; R1539-R1543 PolarHBondContact O-N 2.98Å; R1539-E1588 WeakPolarHBondContact CG-OE2 3.37Å; R1539-E1588 IonicContact CZ-OE1 3.99Å; R1539-E1588 IonicContact CZ-OE2 3.69Å; R1539-E1588 IonicContact NE-OE1 2.67Å; R1539-E1588 PolarHBondContact NE-OE1 3.49Å; R1539-E1588 IonicContact NE-OE2 2.7Å; R1539-E1588 PolarHBondContact NE-OE2 2.89Å; R1539-E1588 VanDerWaalsContact NH2-CD 3.35Å; R1539-E1588 IonicContact NH2-OE1 4Å; R1539-E1588 PolarHBondContact NH2-OE1 2.92Å; R1539-E1588 IonicContact NH2-OE2 3.62Å; R1539-E1588 PolarHBondContact NH2-OE2 2.91Å; R1539-L1590 HydrophobicContact CG-CD1 4.24Å
1540	S	77.8	Confident	74	Confident	70 Å²	70	76.8 Å²	76.8	49%	0.49	36%	0.361	S	S	.	.	H	α-helix	trans	-70.9	-28.7	175.9	82.9	0	0	0	0	113	T1536 R1537 L1538	T1536-S1540 WeakPolarHBondContact O-CB 3.36Å; T1536-S1540 PolarHBondContact O-N 2.71Å; R1537-S1540 WeakPolarHBondContact O-CB 3.46Å; R1537-S1540 PolarHBondContact O-N 3.04Å; R1537-S1540 PolarHBondContact O-OG 2.98Å; L1538-S1540 PolarHBondContact O-N 2.84Å; L1538-S1540 VanDerWaalsContact O-N 3.16Å
1541	V	77.4	Confident	73.9	Confident	81 Å²	81	79.1 Å²	79.1	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-95.4	-40.6	-177.7	-177.2	0	0	0	0	112.1	R1537 L1538 R1539 R1543 F1547 Y1555	R1537-V1541 PolarHBondContact O-N 2.86Å; L1538-V1541 PolarHBondContact O-N 2.91Å; R1539-V1541 VanDerWaalsContact C-N 3.33Å; V1541-R1543 PolarHBondContact O-N 3.36Å; V1541-F1547 HydrophobicContact CB-CZ 4.36Å; V1541-F1547 HydrophobicContact CG1-CE1 4.16Å; V1541-F1547 HydrophobicContact CG1-CZ 3.63Å; V1541-Y1555 HydrophobicContact CB-CE2 4.44Å; V1541-Y1555 HydrophobicContact CG2-CE2 4.19Å
1542	T	70.7	Confident	74.1	Confident	10 Å²	10	78 Å²	78	6%	0.061	37%	0.367	C	S	.	.	S	Bend	trans	-76.3	1	177.1	55.9	0	0	0	0	113.8	L1538 Q1544 R1545 F1547 L1590	L1538-T1542 HydrophobicContact CD2-CG2 3.77Å; L1538-T1542 PolarHBondContact O-N 3.47Å; L1538-T1542 PolarHBondContact O-OG1 2.96Å; T1542-Q1544 PolarHBondContact O-N 2.79Å; T1542-R1545 CarbonylContact C-O 3.58Å; T1542-R1545 WeakPolarHBondContact CA-O 3.41Å; T1542-R1545 CarbonylContact O-C 3.59Å; T1542-R1545 PolarHBondContact O-N 3.11Å; T1542-F1547 HydrophobicContact CG2-CD1 4.42Å; T1542-F1547 HydrophobicContact CG2-CD2 3.57Å; T1542-F1547 HydrophobicContact CG2-CE1 4.47Å; T1542-F1547 HydrophobicContact CG2-CE2 3.64Å; T1542-F1547 HydrophobicContact CG2-CG 4.01Å; T1542-F1547 HydrophobicContact CG2-CZ 4.11Å; T1542-L1590 HydrophobicContact CG2-CB 4.34Å
1543	R	61.1	Low	74.3	Confident	215 Å²	215	78.6 Å²	78.6	81%	0.811	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-9.9	-172.3	-136.4	176.6	-170.3	-178.5	4.3	116.5	R1539 V1541	R1539-R1543 WeakPolarHBondContact O-CB 3.48Å; R1539-R1543 WeakPolarHBondContact O-CG 3.08Å; R1539-R1543 PolarHBondContact O-N 2.98Å; V1541-R1543 PolarHBondContact O-N 3.36Å
1544	Q	63.8	Low	74.3	Confident	198 Å²	198	77.9 Å²	77.9	93%	0.925	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	-19.7	174.4	-65.7	-174.5	-8.7	0	0	113.6	T1542	T1542-Q1544 PolarHBondContact O-N 2.79Å
1545	R	64.9	Low	74.4	Confident	141 Å²	141	78.5 Å²	78.5	53%	0.532	37%	0.374	S	S	.	.	S	Bend	trans	-167.6	132.2	-172.2	159.7	170.5	163.2	158.2	-5	109.5	T1542 E1551	T1542-R1545 CarbonylContact C-O 3.58Å; T1542-R1545 WeakPolarHBondContact CA-O 3.41Å; T1542-R1545 CarbonylContact O-C 3.59Å; T1542-R1545 PolarHBondContact O-N 3.11Å; R1545-E1551 IonicContact CZ-OE1 3.91Å; R1545-E1551 IonicContact CZ-OE2 3.24Å; R1545-E1551 IonicContact NE-OE1 3.18Å; R1545-E1551 IonicContact NE-OE2 2.85Å; R1545-E1551 PolarHBondContact NE-OE2 2.72Å; R1545-E1551 VanDerWaalsContact NH2-CD 3.28Å; R1545-E1551 IonicContact NH2-OE1 3.98Å; R1545-E1551 PolarHBondContact NH2-OE1 2.71Å; R1545-E1551 IonicContact NH2-OE2 2.89Å; R1545-E1551 PolarHBondContact NH2-OE2 2.59Å; R1545-E1551 VanDerWaalsContact NH2-OE2 3.15Å
1546	P	63.7	Low	74.7	Confident	56 Å²	56	78.8 Å²	78.8	36%	0.364	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-66.3	147.5	167.4	30.5	-34.8	0	0	0	110.3	L1590 T1592	P1546-L1590 CarbonylContact C-O 3.54Å; P1546-L1590 WeakPolarHBondContact CA-O 3.48Å; P1546-L1590 WeakPolarHBondContact CB-O 3.21Å; P1546-T1592 HydrophobicContact CB-CG2 4.41Å; P1546-T1592 HydrophobicContact CG-CG2 4.21Å
1547	F	74.8	Confident	74.8	Confident	25 Å²	25	80.9 Å²	80.9	11%	0.11	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-71.8	144.4	-178.8	-73.1	-43.7	0	0	0	112.1	V1541 T1542 E1551 F1552 Y1555 L1590 V1591 T1592	V1541-F1547 HydrophobicContact CB-CZ 4.36Å; V1541-F1547 HydrophobicContact CG1-CE1 4.16Å; V1541-F1547 HydrophobicContact CG1-CZ 3.63Å; T1542-F1547 HydrophobicContact CG2-CD1 4.42Å; T1542-F1547 HydrophobicContact CG2-CD2 3.57Å; T1542-F1547 HydrophobicContact CG2-CE1 4.47Å; T1542-F1547 HydrophobicContact CG2-CE2 3.64Å; T1542-F1547 HydrophobicContact CG2-CG 4.01Å; T1542-F1547 HydrophobicContact CG2-CZ 4.11Å; F1547-E1551 HydrophobicContact CB-CB 3.93Å; F1547-E1551 HydrophobicContact CD1-CB 3.56Å; F1547-E1551 HydrophobicContact CE1-CB 4.32Å; F1547-E1551 HydrophobicContact CG-CB 4.02Å; F1547-F1552 HydrophobicContact CB-CB 4.05Å; F1547-F1552 HydrophobicContact CD2-CB 4.22Å; F1547-F1552 HydrophobicContact CD2-CD2 4.19Å; F1547-F1552 HydrophobicContact CG-CB 4.46Å; F1547-Y1555 AromaticContact CE2-CD2 3.81Å; F1547-Y1555 HydrophobicContact CE2-CD2 3.81Å; F1547-Y1555 AromaticContact CE2-CG 3.85Å; F1547-Y1555 HydrophobicContact CE2-CG 3.85Å; F1547-Y1555 AromaticContact CZ-CD2 3.81Å; F1547-Y1555 HydrophobicContact CZ-CD2 3.81Å; F1547-Y1555 HydrophobicContact CZ-CG 4.16Å; F1547-L1590 PolarHBondContact N-O 3.42Å; F1547-V1591 HydrophobicContact CB-CG2 4.2Å; F1547-V1591 WeakPolarHBondContact O-CA 3.42Å; F1547-T1592 PolarHBondContact O-N 2.8Å
1548	T	72.3	Confident	74.8	Confident	50 Å²	50	86.8 Å²	86.8	31%	0.307	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-70.9	162.6	154.8	67.9	0	0	0	0	110.1	Q1550 E1551 F1552	T1548-Q1550 PolarHBondContact O-N 2.86Å; T1548-E1551 PolarHBondContact N-OE2 3.36Å; T1548-E1551 PolarHBondContact O-N 3.4Å; T1548-E1551 VanDerWaalsContact OG1-CG 3.3Å; T1548-E1551 WeakPolarHBondContact OG1-CG 3.29Å; T1548-E1551 PolarHBondContact OG1-N 2.94Å; T1548-F1552 PolarHBondContact O-N 3.34Å
1549	R	71.4	Confident	74.9	Confident	98 Å²	98	88 Å²	88	37%	0.37	41%	0.41	S	S	.	.	H	α-helix	trans	-50.9	-44.6	178	-164.7	76.1	-173.7	168	5.7	112.7	F1552 E1553 D1582	R1549-F1552 PolarHBondContact O-N 3.11Å; R1549-E1553 WeakPolarHBondContact CG-OE1 3.48Å; R1549-E1553 IonicContact NE-OE1 2.71Å; R1549-E1553 WeakPolarHBondContact O-CG 3.4Å; R1549-E1553 PolarHBondContact O-N 3.22Å; R1549-D1582 IonicContact CZ-OD1 3.38Å; R1549-D1582 IonicContact CZ-OD2 3.98Å; R1549-D1582 IonicContact NH1-OD1 2.8Å; R1549-D1582 PolarHBondContact NH1-OD1 2.84Å; R1549-D1582 IonicContact NH1-OD2 3.21Å; R1549-D1582 PolarHBondContact NH1-OD2 2.87Å; R1549-D1582 VanDerWaalsContact NH2-CG 3.29Å; R1549-D1582 IonicContact NH2-OD1 2.65Å; R1549-D1582 PolarHBondContact NH2-OD1 2.98Å; R1549-D1582 VanDerWaalsContact NH2-OD1 3.13Å; R1549-D1582 IonicContact NH2-OD2 2.86Å; R1549-D1582 PolarHBondContact NH2-OD2 3.18Å
1550	Q	72.8	Confident	75	Confident	148 Å²	148	86.3 Å²	86.3	69%	0.692	41%	0.406	S	S	*	.	H	α-helix	trans	-65.8	-36.2	177.5	-66.6	178.5	-17.1	0	0	113.5	T1548 S1554	T1548-Q1550 PolarHBondContact O-N 2.86Å; Q1550-S1554 VanDerWaalsContact O-CB 3.31Å; Q1550-S1554 WeakPolarHBondContact O-CB 3.47Å; Q1550-S1554 PolarHBondContact O-N 3.15Å; Q1550-S1554 PolarHBondContact O-OG 2.93Å
1551	E	76.8	Confident	75.1	Confident	64 Å²	64	86.9 Å²	86.9	30%	0.299	41%	0.408	S	S	.	.	H	α-helix	trans	-70	-35.1	176.5	-70.3	167.6	168.9	0	0	111.3	R1545 F1547 T1548 S1554 Y1555	R1545-E1551 IonicContact CZ-OE1 3.91Å; R1545-E1551 IonicContact CZ-OE2 3.24Å; R1545-E1551 IonicContact NE-OE1 3.18Å; R1545-E1551 IonicContact NE-OE2 2.85Å; R1545-E1551 PolarHBondContact NE-OE2 2.72Å; R1545-E1551 VanDerWaalsContact NH2-CD 3.28Å; R1545-E1551 IonicContact NH2-OE1 3.98Å; R1545-E1551 PolarHBondContact NH2-OE1 2.71Å; R1545-E1551 IonicContact NH2-OE2 2.89Å; R1545-E1551 PolarHBondContact NH2-OE2 2.59Å; R1545-E1551 VanDerWaalsContact NH2-OE2 3.15Å; F1547-E1551 HydrophobicContact CB-CB 3.93Å; F1547-E1551 HydrophobicContact CD1-CB 3.56Å; F1547-E1551 HydrophobicContact CE1-CB 4.32Å; F1547-E1551 HydrophobicContact CG-CB 4.02Å; T1548-E1551 PolarHBondContact N-OE2 3.36Å; T1548-E1551 PolarHBondContact O-N 3.4Å; T1548-E1551 VanDerWaalsContact OG1-CG 3.3Å; T1548-E1551 WeakPolarHBondContact OG1-CG 3.29Å; T1548-E1551 PolarHBondContact OG1-N 2.94Å; E1551-S1554 WeakPolarHBondContact O-CB 3.38Å; E1551-Y1555 WeakPolarHBondContact O-CB 3.18Å; E1551-Y1555 PolarHBondContact O-N 3.31Å
1552	F	81.2	Confident	75.2	Confident	2 Å²	2	84.7 Å²	84.7	1%	0.009	39%	0.394	C	S	.	.	H	α-helix	trans	-70.6	-44.5	174.7	178.2	-99.8	0	0	0	112.6	L1538 F1547 T1548 R1549 S1554 Y1555 L1556 L1581 D1582 A1585 V1591	L1538-F1552 HydrophobicContact CD1-CD2 4.45Å; L1538-F1552 HydrophobicContact CD1-CE2 3.93Å; F1547-F1552 HydrophobicContact CB-CB 4.05Å; F1547-F1552 HydrophobicContact CD2-CB 4.22Å; F1547-F1552 HydrophobicContact CD2-CD2 4.19Å; F1547-F1552 HydrophobicContact CG-CB 4.46Å; T1548-F1552 PolarHBondContact O-N 3.34Å; R1549-F1552 PolarHBondContact O-N 3.11Å; F1552-S1554 VanDerWaalsContact C-N 3.28Å; F1552-S1554 PolarHBondContact O-N 2.95Å; F1552-Y1555 WeakPolarHBondContact O-CA 3.41Å; F1552-Y1555 WeakPolarHBondContact O-CB 3.19Å; F1552-Y1555 PolarHBondContact O-N 2.74Å; F1552-L1556 HydrophobicContact CD1-CD1 4.29Å; F1552-L1556 HydrophobicContact CD1-CG 4.5Å; F1552-L1556 HydrophobicContact CE1-CD1 3.61Å; F1552-L1556 HydrophobicContact CE1-CD2 4.38Å; F1552-L1556 HydrophobicContact CE1-CG 3.98Å; F1552-L1556 HydrophobicContact CE2-CD2 4.44Å; F1552-L1556 HydrophobicContact CZ-CD1 4Å; F1552-L1556 HydrophobicContact CZ-CD2 3.92Å; F1552-L1556 HydrophobicContact CZ-CG 4Å; F1552-L1556 PolarHBondContact O-N 3Å; F1552-L1581 HydrophobicContact CE2-CB 4.49Å; F1552-L1581 HydrophobicContact CZ-CB 4.09Å; F1552-D1582 HydrophobicContact CE1-CB 3.81Å; F1552-D1582 VanDerWaalsContact CE1-OD1 3.28Å; F1552-D1582 WeakPolarHBondContact CE1-OD1 3.44Å; F1552-D1582 VanDerWaalsContact CZ-CA 3.42Å; F1552-D1582 HydrophobicContact CZ-CB 4.02Å; F1552-A1585 HydrophobicContact CD2-CB 4.21Å; F1552-A1585 HydrophobicContact CE2-CB 3.81Å; F1552-A1585 HydrophobicContact CZ-CB 4.41Å; F1552-V1591 HydrophobicContact CB-CG2 3.72Å; F1552-V1591 HydrophobicContact CD1-CG2 4.46Å; F1552-V1591 HydrophobicContact CD2-CG2 3.79Å; F1552-V1591 HydrophobicContact CG-CG2 3.72Å
1553	E	78	Confident	75.8	Confident	92 Å²	92	84.2 Å²	84.2	43%	0.43	39%	0.391	S	S	.	.	H	α-helix	trans	-58.8	-41.7	172.1	-72.8	161.5	-171.3	0	0	111.3	R1549 Y1555 L1556 I1557	R1549-E1553 WeakPolarHBondContact CG-OE1 3.48Å; R1549-E1553 IonicContact NE-OE1 2.71Å; R1549-E1553 WeakPolarHBondContact O-CG 3.4Å; R1549-E1553 PolarHBondContact O-N 3.22Å; E1553-Y1555 VanDerWaalsContact C-N 3.3Å; E1553-Y1555 PolarHBondContact O-N 2.84Å; E1553-L1556 PolarHBondContact O-N 3.2Å; E1553-I1557 WeakPolarHBondContact O-CG1 3.45Å; E1553-I1557 PolarHBondContact O-N 3.12Å; E1553-I1557 VanDerWaalsContact O-N 3.09Å
1554	S	77.5	Confident	76.6	Confident	65 Å²	65	77 Å²	77	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-33.6	173.3	-60.7	0	0	0	0	113.1	Q1550 E1551 F1552 R1558	Q1550-S1554 VanDerWaalsContact O-CB 3.31Å; Q1550-S1554 WeakPolarHBondContact O-CB 3.47Å; Q1550-S1554 PolarHBondContact O-N 3.15Å; Q1550-S1554 PolarHBondContact O-OG 2.93Å; E1551-S1554 WeakPolarHBondContact O-CB 3.38Å; F1552-S1554 VanDerWaalsContact C-N 3.28Å; F1552-S1554 PolarHBondContact O-N 2.95Å; S1554-R1558 WeakPolarHBondContact O-CB 3.41Å; S1554-R1558 PolarHBondContact O-N 2.73Å
1555	Y	84.7	Confident	77.3	Confident	13 Å²	13	73.8 Å²	73.8	5%	0.051	35%	0.351	C	S	.	.	H	α-helix	trans	-69.3	-43.8	174.6	172.3	-83.8	0	0	0	111.5	L1538 V1541 F1547 E1551 F1552 E1553 R1558 N1559 F1563	L1538-Y1555 HydrophobicContact CD1-CD1 4.11Å; L1538-Y1555 HydrophobicContact CD1-CE1 3.58Å; L1538-Y1555 HydrophobicContact CG-CE1 4.26Å; V1541-Y1555 HydrophobicContact CB-CE2 4.44Å; V1541-Y1555 HydrophobicContact CG2-CE2 4.19Å; F1547-Y1555 AromaticContact CE2-CD2 3.81Å; F1547-Y1555 HydrophobicContact CE2-CD2 3.81Å; F1547-Y1555 AromaticContact CE2-CG 3.85Å; F1547-Y1555 HydrophobicContact CE2-CG 3.85Å; F1547-Y1555 AromaticContact CZ-CD2 3.81Å; F1547-Y1555 HydrophobicContact CZ-CD2 3.81Å; F1547-Y1555 HydrophobicContact CZ-CG 4.16Å; E1551-Y1555 WeakPolarHBondContact O-CB 3.18Å; E1551-Y1555 PolarHBondContact O-N 3.31Å; F1552-Y1555 WeakPolarHBondContact O-CA 3.41Å; F1552-Y1555 WeakPolarHBondContact O-CB 3.19Å; F1552-Y1555 PolarHBondContact O-N 2.74Å; E1553-Y1555 VanDerWaalsContact C-N 3.3Å; E1553-Y1555 PolarHBondContact O-N 2.84Å; Y1555-R1558 PolarHBondContact O-N 3.08Å; Y1555-N1559 WeakPolarHBondContact CD2-ND2 3.34Å; Y1555-N1559 VanDerWaalsContact CE2-ND2 3.34Å; Y1555-N1559 WeakPolarHBondContact CE2-ND2 3.47Å; Y1555-N1559 PolarHBondContact O-N 3.45Å; Y1555-N1559 VanDerWaalsContact O-N 3.08Å; Y1555-N1559 PolarHBondContact O-ND2 2.98Å; Y1555-F1563 HydrophobicContact CE1-CZ 4.21Å
1556	L	83.3	Confident	77.8	Confident	18 Å²	18	67.3 Å²	67.3	9%	0.094	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-49.6	177	-67.5	-179.5	0	0	0	111	F1552 E1553 R1558 N1559 K1560 F1563 H1578 L1581	F1552-L1556 HydrophobicContact CD1-CD1 4.29Å; F1552-L1556 HydrophobicContact CD1-CG 4.5Å; F1552-L1556 HydrophobicContact CE1-CD1 3.61Å; F1552-L1556 HydrophobicContact CE1-CD2 4.38Å; F1552-L1556 HydrophobicContact CE1-CG 3.98Å; F1552-L1556 HydrophobicContact CE2-CD2 4.44Å; F1552-L1556 HydrophobicContact CZ-CD1 4Å; F1552-L1556 HydrophobicContact CZ-CD2 3.92Å; F1552-L1556 HydrophobicContact CZ-CG 4Å; F1552-L1556 PolarHBondContact O-N 3Å; E1553-L1556 PolarHBondContact O-N 3.2Å; L1556-R1558 VanDerWaalsContact C-N 3.32Å; L1556-R1558 PolarHBondContact O-N 2.87Å; L1556-N1559 PolarHBondContact O-N 3.41Å; L1556-K1560 PolarHBondContact O-N 3.44Å; L1556-K1560 VanDerWaalsContact O-N 3.14Å; L1556-F1563 HydrophobicContact CB-CE2 4.35Å; L1556-F1563 HydrophobicContact CD2-CE2 3.79Å; L1556-F1563 HydrophobicContact CD2-CZ 3.99Å; L1556-F1563 WeakPolarHBondContact O-CE2 3.42Å; L1556-H1578 HydrophobicContact CD1-CB 4.35Å; L1556-L1581 HydrophobicContact CD2-CB 4.12Å; L1556-L1581 HydrophobicContact CD2-CD1 3.69Å
1557	I	79.2	Confident	78.3	Confident	133 Å²	133	65.5 Å²	65.5	68%	0.682	32%	0.316	S	S	*	.	H	α-helix	trans	-58.1	-42.4	179.1	-66.1	165.4	0	0	0	111.6	E1553	E1553-I1557 WeakPolarHBondContact O-CG1 3.45Å; E1553-I1557 PolarHBondContact O-N 3.12Å; E1553-I1557 VanDerWaalsContact O-N 3.09Å
1558	R	80.4	Confident	78.2	Confident	209 Å²	209	73.4 Å²	73.4	79%	0.789	35%	0.346	S	S	*	.	H	α-helix	trans	-69.7	-31.3	179.2	-84.7	-176.7	168.8	177	-1.4	114.3	S1554 Y1555 L1556	S1554-R1558 WeakPolarHBondContact O-CB 3.41Å; S1554-R1558 PolarHBondContact O-N 2.73Å; Y1555-R1558 PolarHBondContact O-N 3.08Å; L1556-R1558 VanDerWaalsContact C-N 3.32Å; L1556-R1558 PolarHBondContact O-N 2.87Å
1559	N	83.9	Confident	78.3	Confident	27 Å²	27	76.7 Å²	76.7	14%	0.144	36%	0.357	C	S	.	.	H	α-helix	trans	-96.5	0.7	-175.7	-68.8	-82	0	0	0	113.6	Y1555 L1556 P1561 I1562 F1563	Y1555-N1559 WeakPolarHBondContact CD2-ND2 3.34Å; Y1555-N1559 VanDerWaalsContact CE2-ND2 3.34Å; Y1555-N1559 WeakPolarHBondContact CE2-ND2 3.47Å; Y1555-N1559 PolarHBondContact O-N 3.45Å; Y1555-N1559 VanDerWaalsContact O-N 3.08Å; Y1555-N1559 PolarHBondContact O-ND2 2.98Å; L1556-N1559 PolarHBondContact O-N 3.41Å; N1559-P1561 VanDerWaalsContact C-CD 3.45Å; N1559-P1561 VanDerWaalsContact O-N 3.14Å; N1559-I1562 HydrophobicContact CB-CD1 4.41Å; N1559-I1562 WeakPolarHBondContact O-CA 3.37Å; N1559-I1562 VanDerWaalsContact O-CB 3.31Å; N1559-I1562 WeakPolarHBondContact O-CB 3.22Å; N1559-I1562 PolarHBondContact O-N 3.38Å; N1559-I1562 WeakPolarHBondContact OD1-CD1 3.41Å; N1559-F1563 HydrophobicContact CB-CD1 4.32Å; N1559-F1563 HydrophobicContact CB-CE1 3.62Å; N1559-F1563 HydrophobicContact CB-CE2 3.98Å; N1559-F1563 HydrophobicContact CB-CZ 3.42Å; N1559-F1563 VanDerWaalsContact CB-CZ 3.42Å; N1559-F1563 PolarHBondContact O-N 3.48Å
1560	K	80.2	Confident	78.1	Confident	97 Å²	97	75 Å²	75	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-42.1	-46.6	176	-170.9	174.3	179.9	179.2	0	115.8	L1556 I1562 F1563 E1564	L1556-K1560 PolarHBondContact O-N 3.44Å; L1556-K1560 VanDerWaalsContact O-N 3.14Å; K1560-I1562 VanDerWaalsContact C-N 3.27Å; K1560-I1562 PolarHBondContact O-N 3.31Å; K1560-F1563 CarbonylContact O-C 3.47Å; K1560-F1563 WeakPolarHBondContact O-CB 3.25Å; K1560-F1563 PolarHBondContact O-N 3.44Å; K1560-F1563 VanDerWaalsContact O-N 3.11Å; K1560-E1564 WeakPolarHBondContact CE-OE1 3.28Å; K1560-E1564 PolarHBondContact O-N 2.91Å
1561	P	78.7	Confident	77.2	Confident	83 Å²	83	74 Å²	74	54%	0.539	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-24.6	178.2	25.9	-35.3	0	0	0	114.1	N1559 Q1565	N1559-P1561 VanDerWaalsContact C-CD 3.45Å; N1559-P1561 VanDerWaalsContact O-N 3.14Å; P1561-Q1565 WeakPolarHBondContact O-CB 3.37Å; P1561-Q1565 PolarHBondContact O-N 2.85Å; P1561-Q1565 VanDerWaalsContact O-N 3.16Å
1562	I	79.3	Confident	76.7	Confident	35 Å²	35	72.3 Å²	72.3	18%	0.179	34%	0.341	C	S	.	.	H	α-helix	trans	-75.1	-39.4	171.8	-65.8	154.9	0	0	0	109.5	N1559 K1560 Q1565 I1566	N1559-I1562 HydrophobicContact CB-CD1 4.41Å; N1559-I1562 WeakPolarHBondContact O-CA 3.37Å; N1559-I1562 VanDerWaalsContact O-CB 3.31Å; N1559-I1562 WeakPolarHBondContact O-CB 3.22Å; N1559-I1562 PolarHBondContact O-N 3.38Å; N1559-I1562 WeakPolarHBondContact OD1-CD1 3.41Å; K1560-I1562 VanDerWaalsContact C-N 3.27Å; K1560-I1562 PolarHBondContact O-N 3.31Å; I1562-Q1565 WeakPolarHBondContact O-CB 3.12Å; I1562-Q1565 PolarHBondContact O-N 2.92Å; I1562-I1566 HydrophobicContact CG2-CD1 4Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.49Å; I1562-I1566 PolarHBondContact O-N 3.29Å
1563	F	84.9	Confident	76.4	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-66	-38.7	174.6	-52.5	-23.5	0	0	0	111.6	L1534 Y1555 L1556 N1559 K1560 Q1565 I1566 A1567 I1574 I1577 H1578 L1581	L1534-F1563 HydrophobicContact CD2-CD1 3.93Å; L1534-F1563 HydrophobicContact CD2-CE1 3.73Å; Y1555-F1563 HydrophobicContact CE1-CZ 4.21Å; L1556-F1563 HydrophobicContact CB-CE2 4.35Å; L1556-F1563 HydrophobicContact CD2-CE2 3.79Å; L1556-F1563 HydrophobicContact CD2-CZ 3.99Å; L1556-F1563 WeakPolarHBondContact O-CE2 3.42Å; N1559-F1563 HydrophobicContact CB-CD1 4.32Å; N1559-F1563 HydrophobicContact CB-CE1 3.62Å; N1559-F1563 HydrophobicContact CB-CE2 3.98Å; N1559-F1563 HydrophobicContact CB-CZ 3.42Å; N1559-F1563 VanDerWaalsContact CB-CZ 3.42Å; N1559-F1563 PolarHBondContact O-N 3.48Å; K1560-F1563 CarbonylContact O-C 3.47Å; K1560-F1563 WeakPolarHBondContact O-CB 3.25Å; K1560-F1563 PolarHBondContact O-N 3.44Å; K1560-F1563 VanDerWaalsContact O-N 3.11Å; F1563-Q1565 VanDerWaalsContact C-N 3.29Å; F1563-Q1565 PolarHBondContact O-N 2.96Å; F1563-I1566 PolarHBondContact O-N 3.37Å; F1563-A1567 WeakPolarHBondContact O-CB 3.38Å; F1563-A1567 PolarHBondContact O-N 2.96Å; F1563-I1574 HydrophobicContact CB-CG2 4.36Å; F1563-I1577 HydrophobicContact CB-CD1 4.22Å; F1563-I1577 HydrophobicContact CB-CG2 3.92Å; F1563-I1577 HydrophobicContact CD1-CG2 3.72Å; F1563-I1577 HydrophobicContact CD2-CG2 4.12Å; F1563-I1577 HydrophobicContact CE1-CG2 4.25Å; F1563-I1577 HydrophobicContact CG-CG2 3.66Å; F1563-I1577 WeakPolarHBondContact O-CD1 3.41Å; F1563-H1578 AromaticContact CD2-CD2 3.63Å; F1563-H1578 AromaticContact CD2-NE2 3.46Å; F1563-H1578 WeakPolarHBondContact CD2-NE2 3.29Å; F1563-H1578 AromaticContact CE2-CD2 3.71Å; F1563-H1578 AromaticContact CE2-NE2 3.62Å; F1563-L1581 HydrophobicContact CD1-CD1 4.41Å; F1563-L1581 HydrophobicContact CE1-CD1 3.6Å; F1563-L1581 HydrophobicContact CE2-CD1 4.02Å; F1563-L1581 HydrophobicContact CZ-CD1 3.36Å
1564	E	77.4	Confident	76.2	Confident	64 Å²	64	73.2 Å²	73.2	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-34.1	170.9	-76.4	176.2	-155.6	0	0	112.7	K1560 R1568 I1574	K1560-E1564 WeakPolarHBondContact CE-OE1 3.28Å; K1560-E1564 PolarHBondContact O-N 2.91Å; E1564-R1568 WeakPolarHBondContact O-CD 3.26Å; E1564-R1568 VanDerWaalsContact O-CG 3.23Å; E1564-R1568 WeakPolarHBondContact O-CG 3.38Å; E1564-R1568 PolarHBondContact O-N 3.19Å; E1564-I1574 HydrophobicContact CG-CD1 3.55Å; E1564-I1574 HydrophobicContact CG-CG1 4.26Å
1565	Q	77.7	Confident	75.9	Confident	130 Å²	130	77.5 Å²	77.5	61%	0.607	36%	0.364	S	S	*	.	H	α-helix	trans	-72.3	-42.4	176.3	-166.5	168.8	15	0	0	111.6	P1561 I1562 F1563 R1568 Q1569	P1561-Q1565 WeakPolarHBondContact O-CB 3.37Å; P1561-Q1565 PolarHBondContact O-N 2.85Å; P1561-Q1565 VanDerWaalsContact O-N 3.16Å; I1562-Q1565 WeakPolarHBondContact O-CB 3.12Å; I1562-Q1565 PolarHBondContact O-N 2.92Å; F1563-Q1565 VanDerWaalsContact C-N 3.29Å; F1563-Q1565 PolarHBondContact O-N 2.96Å; Q1565-R1568 PolarHBondContact O-N 3.16Å; Q1565-Q1569 VanDerWaalsContact O-CB 3.28Å; Q1565-Q1569 WeakPolarHBondContact O-CB 3.35Å; Q1565-Q1569 PolarHBondContact O-N 2.82Å
1566	I	75	Confident	75.2	Confident	5 Å²	5	79.5 Å²	79.5	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-65.2	-45.1	174.1	-72.4	169.3	0	0	0	111	W1530 L1534 I1562 F1563 R1568 Q1569 Y1570 I1577	W1530-I1566 HydrophobicContact CB-CG2 3.66Å; W1530-I1566 HydrophobicContact CD2-CG2 4.25Å; W1530-I1566 HydrophobicContact CE3-CG2 4.19Å; W1530-I1566 HydrophobicContact CG-CG2 4.08Å; L1534-I1566 HydrophobicContact CD2-CD1 3.57Å; L1534-I1566 HydrophobicContact CG-CD1 3.89Å; I1562-I1566 HydrophobicContact CG2-CD1 4Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.49Å; I1562-I1566 PolarHBondContact O-N 3.29Å; F1563-I1566 PolarHBondContact O-N 3.37Å; I1566-R1568 VanDerWaalsContact C-N 3.27Å; I1566-R1568 PolarHBondContact O-N 3.43Å; I1566-Q1569 PolarHBondContact O-N 3.36Å; I1566-Y1570 HydrophobicContact CB-CD2 4.48Å; I1566-Y1570 HydrophobicContact CG2-CD2 3.94Å; I1566-Y1570 WeakPolarHBondContact O-CD2 3.36Å; I1566-Y1570 PolarHBondContact O-N 3.11Å; I1566-I1577 HydrophobicContact CB-CD1 4.26Å; I1566-I1577 HydrophobicContact CG2-CD1 3.82Å
1567	A	74.4	Confident	74.9	Confident	17 Å²	17	78.6 Å²	78.6	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-53.6	-43.3	175.6	0	0	0	0	0	112.4	F1563 H1571 V1572 I1577	F1563-A1567 WeakPolarHBondContact O-CB 3.38Å; F1563-A1567 PolarHBondContact O-N 2.96Å; A1567-H1571 WeakPolarHBondContact O-CA 3.24Å; A1567-H1571 PolarHBondContact O-N 3.05Å; A1567-V1572 WeakPolarHBondContact CA-O 3.23Å; A1567-V1572 WeakPolarHBondContact CB-O 3.49Å; A1567-V1572 PolarHBondContact O-N 3.31Å; A1567-I1577 HydrophobicContact CB-CD1 4.2Å
1568	R	73.4	Confident	75	Confident	192 Å²	192	75 Å²	75	73%	0.725	35%	0.35	S	S	*	.	H	α-helix	trans	-73.1	-27.2	175.6	-69.5	171.6	-166.3	-172.7	8.6	114.1	E1564 Q1565 I1566	E1564-R1568 WeakPolarHBondContact O-CD 3.26Å; E1564-R1568 VanDerWaalsContact O-CG 3.23Å; E1564-R1568 WeakPolarHBondContact O-CG 3.38Å; E1564-R1568 PolarHBondContact O-N 3.19Å; Q1565-R1568 PolarHBondContact O-N 3.16Å; I1566-R1568 VanDerWaalsContact C-N 3.27Å; I1566-R1568 PolarHBondContact O-N 3.43Å
1569	Q	75.1	Confident	74.6	Confident	118 Å²	118	68.3 Å²	68.3	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-90.1	-20.8	-175.3	-176	174.6	-8.3	0	0	113.2	Q1565 I1566	Q1565-Q1569 VanDerWaalsContact O-CB 3.28Å; Q1565-Q1569 WeakPolarHBondContact O-CB 3.35Å; Q1565-Q1569 PolarHBondContact O-N 2.82Å; I1566-Q1569 PolarHBondContact O-N 3.36Å
1570	Y	66.3	Low	74.4	Confident	62 Å²	62	68.2 Å²	68.2	24%	0.243	33%	0.328	C	S	.	.	H	α-helix	trans	-132.3	7.4	-174.1	-62.1	-84.6	0	0	0	114	S1529 W1530 I1566 V1572	S1529-Y1570 WeakPolarHBondContact OG-CE1 3.35Å; S1529-Y1570 PolarHBondContact OG-OH 2.82Å; W1530-Y1570 HydrophobicContact CB-CD1 4.29Å; W1530-Y1570 HydrophobicContact CB-CD2 3.61Å; W1530-Y1570 HydrophobicContact CB-CE1 4.28Å; W1530-Y1570 HydrophobicContact CB-CE2 3.6Å; W1530-Y1570 HydrophobicContact CB-CG 3.94Å; W1530-Y1570 AromaticContact CD1-CD1 3.65Å; W1530-Y1570 AromaticContact CD1-CG 3.56Å; W1530-Y1570 HydrophobicContact CG-CD1 4.34Å; W1530-Y1570 HydrophobicContact CG-CD2 4.14Å; W1530-Y1570 HydrophobicContact CG-CG 4.01Å; I1566-Y1570 HydrophobicContact CB-CD2 4.48Å; I1566-Y1570 HydrophobicContact CG2-CD2 3.94Å; I1566-Y1570 WeakPolarHBondContact O-CD2 3.36Å; I1566-Y1570 PolarHBondContact O-N 3.11Å; Y1570-V1572 WeakPolarHBondContact O-CG2 3.49Å; Y1570-V1572 PolarHBondContact O-N 2.85Å
1571	H	54.6	Low	74.4	Confident	128 Å²	128	63.6 Å²	63.6	59%	0.593	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	40.7	178.1	-60.7	-55.9	0	0	0	115.4	E717 A1567	E717-H1571 IonicContact OE1-CD2 3.13Å; E717-H1571 PolarHBondContact OE1-CD2 2.96Å; A1567-H1571 WeakPolarHBondContact O-CA 3.24Å; A1567-H1571 PolarHBondContact O-N 3.05Å
1572	V	64.6	Low	74.3	Confident	29 Å²	29	60.7 Å²	60.7	18%	0.176	29%	0.288	C	S	.	.			trans	-112.2	149.6	178.5	-174.8	0	0	0	0	109.7	W1530 A1567 Y1570 D1576 I1577	W1530-V1572 HydrophobicContact CH2-CG1 4.14Å; W1530-V1572 HydrophobicContact CZ2-CG1 4.09Å; W1530-V1572 HydrophobicContact CZ2-CG2 3.83Å; A1567-V1572 WeakPolarHBondContact CA-O 3.23Å; A1567-V1572 WeakPolarHBondContact CB-O 3.49Å; A1567-V1572 PolarHBondContact O-N 3.31Å; Y1570-V1572 WeakPolarHBondContact O-CG2 3.49Å; Y1570-V1572 PolarHBondContact O-N 2.85Å; V1572-D1576 HydrophobicContact CG1-CB 3.59Å; V1572-I1577 HydrophobicContact CB-CG1 4.49Å; V1572-I1577 HydrophobicContact CG1-CD1 4.43Å; V1572-I1577 HydrophobicContact CG1-CG1 3.9Å
1573	T	75.5	Confident	73.8	Confident	69 Å²	69	61.7 Å²	61.7	42%	0.423	29%	0.291	S	S	.	.			trans	-80.5	162.7	174.8	77.6	0	0	0	0	112.5	E1575 D1576 I1577	T1573-E1575 PolarHBondContact O-N 3.19Å; T1573-E1575 PolarHBondContact OG1-N 2.95Å; T1573-D1576 WeakPolarHBondContact CA-OD2 3.17Å; T1573-D1576 VanDerWaalsContact CB-OD2 3.23Å; T1573-D1576 WeakPolarHBondContact CB-OD2 3.36Å; T1573-D1576 WeakPolarHBondContact CG2-OD2 3.21Å; T1573-D1576 PolarHBondContact N-OD2 3.05Å; T1573-D1576 PolarHBondContact OG1-N 3.34Å; T1573-D1576 PolarHBondContact OG1-OD2 3.36Å; T1573-I1577 WeakPolarHBondContact O-CD1 3.15Å; T1573-I1577 VanDerWaalsContact O-CG1 3.31Å; T1573-I1577 WeakPolarHBondContact O-CG1 3.49Å; T1573-I1577 PolarHBondContact O-N 3.17Å; T1573-I1577 VanDerWaalsContact O-N 3.12Å
1574	I	74.7	Confident	73.2	Confident	44 Å²	44	62.2 Å²	62.2	23%	0.226	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-30.8	173.1	-53.1	173.1	0	0	0	110.5	F1563 E1564 I1577 H1578	F1563-I1574 HydrophobicContact CB-CG2 4.36Å; E1564-I1574 HydrophobicContact CG-CD1 3.55Å; E1564-I1574 HydrophobicContact CG-CG1 4.26Å; I1574-I1577 PolarHBondContact O-N 3.01Å; I1574-H1578 PolarHBondContact O-CD2 3.01Å; I1574-H1578 VanDerWaalsContact O-CD2 3.31Å; I1574-H1578 VanDerWaalsContact O-CG 3.31Å; I1574-H1578 PolarHBondContact O-N 2.93Å
1575	E	71.6	Confident	72.8	Confident	155 Å²	155	59.3 Å²	59.3	72%	0.724	28%	0.282	S	S	*	.	H	α-helix	trans	-74	-42.8	-178.2	-70.7	166.5	165.2	0	0	110.6	T1573 I1577 H1578 L1579	T1573-E1575 PolarHBondContact O-N 3.19Å; T1573-E1575 PolarHBondContact OG1-N 2.95Å; E1575-I1577 VanDerWaalsContact C-N 3.31Å; E1575-I1577 PolarHBondContact O-N 3.2Å; E1575-H1578 PolarHBondContact O-N 3.27Å; E1575-L1579 WeakPolarHBondContact O-CB 3.42Å; E1575-L1579 PolarHBondContact O-N 3.32Å
1576	D	68.3	Low	72.3	Confident	54 Å²	54	57.9 Å²	57.9	29%	0.289	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-42.4	169.9	-51.9	-50.6	0	0	0	111.4	I1521 V1572 T1573 L1579 W1580	I1521-D1576 HydrophobicContact CD1-CB 4.07Å; I1521-D1576 HydrophobicContact CG1-CB 4.39Å; V1572-D1576 HydrophobicContact CG1-CB 3.59Å; T1573-D1576 WeakPolarHBondContact CA-OD2 3.17Å; T1573-D1576 VanDerWaalsContact CB-OD2 3.23Å; T1573-D1576 WeakPolarHBondContact CB-OD2 3.36Å; T1573-D1576 WeakPolarHBondContact CG2-OD2 3.21Å; T1573-D1576 PolarHBondContact N-OD2 3.05Å; T1573-D1576 PolarHBondContact OG1-N 3.34Å; T1573-D1576 PolarHBondContact OG1-OD2 3.36Å; D1576-L1579 PolarHBondContact O-N 2.81Å; D1576-W1580 VanDerWaalsContact O-CB 3.22Å; D1576-W1580 WeakPolarHBondContact O-CB 3.49Å; D1576-W1580 PolarHBondContact O-N 3.24Å
1577	I	77.4	Confident	71.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-43.1	177	-71.9	165.2	0	0	0	110.7	W1530 L1534 F1563 I1566 A1567 V1572 T1573 I1574 E1575 L1581	W1530-I1577 HydrophobicContact CZ3-CG1 4.04Å; L1534-I1577 HydrophobicContact CD1-CG2 3.77Å; F1563-I1577 HydrophobicContact CB-CD1 4.22Å; F1563-I1577 HydrophobicContact CB-CG2 3.92Å; F1563-I1577 HydrophobicContact CD1-CG2 3.72Å; F1563-I1577 HydrophobicContact CD2-CG2 4.12Å; F1563-I1577 HydrophobicContact CE1-CG2 4.25Å; F1563-I1577 HydrophobicContact CG-CG2 3.66Å; F1563-I1577 WeakPolarHBondContact O-CD1 3.41Å; I1566-I1577 HydrophobicContact CB-CD1 4.26Å; I1566-I1577 HydrophobicContact CG2-CD1 3.82Å; A1567-I1577 HydrophobicContact CB-CD1 4.2Å; V1572-I1577 HydrophobicContact CB-CG1 4.49Å; V1572-I1577 HydrophobicContact CG1-CD1 4.43Å; V1572-I1577 HydrophobicContact CG1-CG1 3.9Å; T1573-I1577 WeakPolarHBondContact O-CD1 3.15Å; T1573-I1577 VanDerWaalsContact O-CG1 3.31Å; T1573-I1577 WeakPolarHBondContact O-CG1 3.49Å; T1573-I1577 PolarHBondContact O-N 3.17Å; T1573-I1577 VanDerWaalsContact O-N 3.12Å; I1574-I1577 PolarHBondContact O-N 3.01Å; E1575-I1577 VanDerWaalsContact C-N 3.31Å; E1575-I1577 PolarHBondContact O-N 3.2Å; I1577-L1581 HydrophobicContact CG2-CD1 3.82Å; I1577-L1581 HydrophobicContact CG2-CG 4.49Å; I1577-L1581 WeakPolarHBondContact O-CB 3.41Å; I1577-L1581 WeakPolarHBondContact O-CD1 3.37Å; I1577-L1581 WeakPolarHBondContact O-CG 3.49Å; I1577-L1581 PolarHBondContact O-N 3.5Å
1578	H	82.2	Confident	71.5	Confident	57 Å²	57	65.8 Å²	65.8	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-42.3	175.8	-76.4	-169.1	0	0	0	112.2	L1556 F1563 I1574 E1575 L1581 D1582	L1556-H1578 HydrophobicContact CD1-CB 4.35Å; F1563-H1578 AromaticContact CD2-CD2 3.63Å; F1563-H1578 AromaticContact CD2-NE2 3.46Å; F1563-H1578 WeakPolarHBondContact CD2-NE2 3.29Å; F1563-H1578 AromaticContact CE2-CD2 3.71Å; F1563-H1578 AromaticContact CE2-NE2 3.62Å; I1574-H1578 PolarHBondContact O-CD2 3.01Å; I1574-H1578 VanDerWaalsContact O-CD2 3.31Å; I1574-H1578 VanDerWaalsContact O-CG 3.31Å; I1574-H1578 PolarHBondContact O-N 2.93Å; E1575-H1578 PolarHBondContact O-N 3.27Å; H1578-L1581 PolarHBondContact O-N 2.91Å; H1578-D1582 PolarHBondContact O-N 3.24Å
1579	L	72.4	Confident	71	Confident	69 Å²	69	58.8 Å²	58.8	36%	0.361	30%	0.299	S	S	.	.	H	α-helix	trans	-70.8	-44.4	-177.1	-152.7	156.6	0	0	0	110.7	I1518 I1521 E1575 D1576 L1581 D1582 Q1583	I1518-L1579 HydrophobicContact CG2-CD2 4.03Å; I1521-L1579 HydrophobicContact CD1-CB 4.27Å; I1521-L1579 HydrophobicContact CD1-CD2 4.18Å; E1575-L1579 WeakPolarHBondContact O-CB 3.42Å; E1575-L1579 PolarHBondContact O-N 3.32Å; D1576-L1579 PolarHBondContact O-N 2.81Å; L1579-L1581 VanDerWaalsContact C-N 3.35Å; L1579-L1581 PolarHBondContact O-N 3.11Å; L1579-D1582 PolarHBondContact O-N 2.69Å; L1579-Q1583 WeakPolarHBondContact O-CB 3.42Å; L1579-Q1583 PolarHBondContact O-N 2.86Å
1580	W	78.5	Confident	70.7	Confident	24 Å²	24	54.4 Å²	54.4	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-43.7	170.2	-170.3	77.7	0	0	0	112	I1521 W1530 K1531 L1534 V1535 D1576 S1584	I1521-W1580 HydrophobicContact CG2-CB 3.57Å; I1521-W1580 HydrophobicContact CG2-CG 3.96Å; W1530-W1580 HydrophobicContact CH2-CB 4.38Å; W1530-W1580 HydrophobicContact CH2-CD2 4.34Å; W1530-W1580 HydrophobicContact CH2-CG 4.21Å; W1530-W1580 HydrophobicContact CZ3-CD2 4.16Å; W1530-W1580 AromaticContact CZ3-CE3 3.98Å; W1530-W1580 HydrophobicContact CZ3-CE3 3.98Å; W1530-W1580 HydrophobicContact CZ3-CG 4.41Å; K1531-W1580 HydrophobicContact CB-CH2 3.61Å; K1531-W1580 HydrophobicContact CB-CZ2 3.49Å; K1531-W1580 VanDerWaalsContact CB-CZ2 3.49Å; K1531-W1580 HydrophobicContact CB-CZ3 4.3Å; K1531-W1580 HydrophobicContact CD-CZ2 4.17Å; K1531-W1580 HydrophobicContact CG-CD2 4.22Å; K1531-W1580 HydrophobicContact CG-CH2 4.11Å; K1531-W1580 HydrophobicContact CG-CZ2 3.69Å; K1531-W1580 WeakPolarHBondContact O-CH2 3.2Å; L1534-W1580 HydrophobicContact CB-CZ3 3.83Å; L1534-W1580 HydrophobicContact CD1-CE3 4.2Å; L1534-W1580 HydrophobicContact CD1-CZ3 4.25Å; V1535-W1580 HydrophobicContact CB-CH2 4.15Å; V1535-W1580 HydrophobicContact CG2-CH2 3.45Å; V1535-W1580 VanDerWaalsContact CG2-CH2 3.45Å; V1535-W1580 HydrophobicContact CG2-CZ2 4.37Å; V1535-W1580 HydrophobicContact CG2-CZ3 3.95Å; D1576-W1580 VanDerWaalsContact O-CB 3.22Å; D1576-W1580 WeakPolarHBondContact O-CB 3.49Å; D1576-W1580 PolarHBondContact O-N 3.24Å; W1580-S1584 VanDerWaalsContact CE2-OG 3.3Å; W1580-S1584 WeakPolarHBondContact CZ2-OG 3.38Å; W1580-S1584 WeakPolarHBondContact O-CB 3.33Å; W1580-S1584 PolarHBondContact O-N 3.02Å; W1580-S1584 PolarHBondContact O-OG 2.87Å
1581	L	81.3	Confident	70.6	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-43.6	178.2	-81.3	170.2	0	0	0	113.1	L1534 L1538 F1552 L1556 F1563 I1577 H1578 L1579 Q1583 A1585	L1534-L1581 HydrophobicContact CB-CD2 4.14Å; L1534-L1581 HydrophobicContact CD1-CD1 4.24Å; L1534-L1581 HydrophobicContact CD1-CD2 4.28Å; L1534-L1581 HydrophobicContact CD1-CG 4.18Å; L1538-L1581 HydrophobicContact CD1-CD2 3.79Å; F1552-L1581 HydrophobicContact CE2-CB 4.49Å; F1552-L1581 HydrophobicContact CZ-CB 4.09Å; L1556-L1581 HydrophobicContact CD2-CB 4.12Å; L1556-L1581 HydrophobicContact CD2-CD1 3.69Å; F1563-L1581 HydrophobicContact CD1-CD1 4.41Å; F1563-L1581 HydrophobicContact CE1-CD1 3.6Å; F1563-L1581 HydrophobicContact CE2-CD1 4.02Å; F1563-L1581 HydrophobicContact CZ-CD1 3.36Å; I1577-L1581 HydrophobicContact CG2-CD1 3.82Å; I1577-L1581 HydrophobicContact CG2-CG 4.49Å; I1577-L1581 WeakPolarHBondContact O-CB 3.41Å; I1577-L1581 WeakPolarHBondContact O-CD1 3.37Å; I1577-L1581 WeakPolarHBondContact O-CG 3.49Å; I1577-L1581 PolarHBondContact O-N 3.5Å; H1578-L1581 PolarHBondContact O-N 2.91Å; L1579-L1581 VanDerWaalsContact C-N 3.35Å; L1579-L1581 PolarHBondContact O-N 3.11Å; L1581-Q1583 VanDerWaalsContact C-N 3.32Å; L1581-Q1583 PolarHBondContact O-N 3.23Å; L1581-A1585 WeakPolarHBondContact O-CB 3.39Å; L1581-A1585 PolarHBondContact O-N 3.25Å
1582	D	76.4	Confident	70.9	Confident	22 Å²	22	49.2 Å²	49.2	12%	0.118	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-40.9	-178	-172.3	47.8	0	0	0	111.8	R1549 F1552 H1578 L1579 A1585 K1586	R1549-D1582 IonicContact CZ-OD1 3.38Å; R1549-D1582 IonicContact CZ-OD2 3.98Å; R1549-D1582 IonicContact NH1-OD1 2.8Å; R1549-D1582 PolarHBondContact NH1-OD1 2.84Å; R1549-D1582 IonicContact NH1-OD2 3.21Å; R1549-D1582 PolarHBondContact NH1-OD2 2.87Å; R1549-D1582 VanDerWaalsContact NH2-CG 3.29Å; R1549-D1582 IonicContact NH2-OD1 2.65Å; R1549-D1582 PolarHBondContact NH2-OD1 2.98Å; R1549-D1582 VanDerWaalsContact NH2-OD1 3.13Å; R1549-D1582 IonicContact NH2-OD2 2.86Å; R1549-D1582 PolarHBondContact NH2-OD2 3.18Å; F1552-D1582 HydrophobicContact CE1-CB 3.81Å; F1552-D1582 VanDerWaalsContact CE1-OD1 3.28Å; F1552-D1582 WeakPolarHBondContact CE1-OD1 3.44Å; F1552-D1582 VanDerWaalsContact CZ-CA 3.42Å; F1552-D1582 HydrophobicContact CZ-CB 4.02Å; H1578-D1582 PolarHBondContact O-N 3.24Å; L1579-D1582 PolarHBondContact O-N 2.69Å; D1582-A1585 PolarHBondContact O-N 2.59Å; D1582-K1586 WeakPolarHBondContact O-CG 3.46Å; D1582-K1586 PolarHBondContact O-N 3.32Å; D1582-K1586 WeakPolarHBondContact OD2-CE 3.22Å; D1582-K1586 IonicContact OD2-NZ 3.8Å; D1582-K1586 PolarHBondContact OD2-NZ 2.78Å
1583	Q	68.9	Low	70.8	Confident	55 Å²	55	50.2 Å²	50.2	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-87.4	-25.8	-174.9	-174.1	176	-13.2	0	0	111.7	W1522 L1579 L1581 K1586 N1587	W1522-Q1583 HydrophobicContact CH2-CB 3.42Å; W1522-Q1583 VanDerWaalsContact CH2-CB 3.42Å; W1522-Q1583 HydrophobicContact CH2-CG 3.41Å; W1522-Q1583 VanDerWaalsContact CH2-CG 3.41Å; W1522-Q1583 HydrophobicContact CZ2-CB 3.38Å; W1522-Q1583 HydrophobicContact CZ2-CG 3.38Å; W1522-Q1583 HydrophobicContact CZ3-CB 4.39Å; W1522-Q1583 HydrophobicContact CZ3-CG 3.97Å; L1579-Q1583 WeakPolarHBondContact O-CB 3.42Å; L1579-Q1583 PolarHBondContact O-N 2.86Å; L1581-Q1583 VanDerWaalsContact C-N 3.32Å; L1581-Q1583 PolarHBondContact O-N 3.23Å; Q1583-K1586 PolarHBondContact O-N 2.7Å; Q1583-N1587 WeakPolarHBondContact O-CB 3.48Å; Q1583-N1587 PolarHBondContact O-N 3.49Å; Q1583-N1587 PolarHBondContact O-OD1 3.36Å
1584	S	70.9	Confident	70.4	Confident	12 Å²	12	54.7 Å²	54.7	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-68.8	-37.3	163.3	-60.8	0	0	0	0	111.8	W1580 K1586 N1587 E1588	W1580-S1584 VanDerWaalsContact CE2-OG 3.3Å; W1580-S1584 WeakPolarHBondContact CZ2-OG 3.38Å; W1580-S1584 WeakPolarHBondContact O-CB 3.33Å; W1580-S1584 PolarHBondContact O-N 3.02Å; W1580-S1584 PolarHBondContact O-OG 2.87Å; S1584-K1586 VanDerWaalsContact C-N 3.34Å; S1584-N1587 PolarHBondContact O-N 3.3Å; S1584-E1588 WeakPolarHBondContact O-CB 3.31Å; S1584-E1588 PolarHBondContact O-N 2.87Å
1585	A	70	Confident	70.5	Confident	2 Å²	2	54.6 Å²	54.6	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-71.2	-28.3	176.1	0	0	0	0	0	112.7	L1538 F1552 L1581 D1582 L1590 V1591	L1538-A1585 HydrophobicContact CD2-CB 4.39Å; F1552-A1585 HydrophobicContact CD2-CB 4.21Å; F1552-A1585 HydrophobicContact CE2-CB 3.81Å; F1552-A1585 HydrophobicContact CZ-CB 4.41Å; L1581-A1585 WeakPolarHBondContact O-CB 3.39Å; L1581-A1585 PolarHBondContact O-N 3.25Å; D1582-A1585 PolarHBondContact O-N 2.59Å; A1585-L1590 HydrophobicContact CB-CB 4.31Å; A1585-L1590 WeakPolarHBondContact O-CA 3.44Å; A1585-L1590 PolarHBondContact O-N 3.31Å; A1585-V1591 HydrophobicContact CB-CB 4.49Å; A1585-V1591 HydrophobicContact CB-CG2 3.86Å; A1585-V1591 PolarHBondContact O-N 3.25Å; A1585-V1591 VanDerWaalsContact O-N 3.09Å
1586	K	67.1	Low	70.5	Confident	101 Å²	101	49.4 Å²	49.4	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-65.5	-53.3	164.2	-73.5	159	175.2	158.2	0	111	D1582 Q1583 S1584 E1588 G1589	D1582-K1586 WeakPolarHBondContact O-CG 3.46Å; D1582-K1586 PolarHBondContact O-N 3.32Å; D1582-K1586 WeakPolarHBondContact OD2-CE 3.22Å; D1582-K1586 IonicContact OD2-NZ 3.8Å; D1582-K1586 PolarHBondContact OD2-NZ 2.78Å; Q1583-K1586 PolarHBondContact O-N 2.7Å; S1584-K1586 VanDerWaalsContact C-N 3.34Å; K1586-E1588 PolarHBondContact O-N 3.35Å; K1586-G1589 PolarHBondContact O-N 3.46Å
1587	N	66.7	Low	70.7	Confident	119 Å²	119	49.7 Å²	49.7	64%	0.636	27%	0.268	S	S	*	.	H	α-helix	trans	-64.7	-36.6	-174.8	-69.4	5.9	0	0	0	113.8	Q1583 S1584 G1589	Q1583-N1587 WeakPolarHBondContact O-CB 3.48Å; Q1583-N1587 PolarHBondContact O-N 3.49Å; Q1583-N1587 PolarHBondContact O-OD1 3.36Å; S1584-N1587 PolarHBondContact O-N 3.3Å; N1587-G1589 VanDerWaalsContact C-N 3.27Å; N1587-G1589 PolarHBondContact O-N 2.62Å
1588	E	65.9	Low	70.7	Confident	68 Å²	68	54.6 Å²	54.6	32%	0.318	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3.7	174.8	-66.8	-162.4	178.8	0	0	113.8	V1535 R1539 S1584 K1586 L1590	V1535-E1588 VanDerWaalsContact CG1-OE1 3.31Å; V1535-E1588 WeakPolarHBondContact CG1-OE1 3.42Å; R1539-E1588 WeakPolarHBondContact CG-OE2 3.37Å; R1539-E1588 IonicContact CZ-OE1 3.99Å; R1539-E1588 IonicContact CZ-OE2 3.69Å; R1539-E1588 IonicContact NE-OE1 2.67Å; R1539-E1588 PolarHBondContact NE-OE1 3.49Å; R1539-E1588 IonicContact NE-OE2 2.7Å; R1539-E1588 PolarHBondContact NE-OE2 2.89Å; R1539-E1588 VanDerWaalsContact NH2-CD 3.35Å; R1539-E1588 IonicContact NH2-OE1 4Å; R1539-E1588 PolarHBondContact NH2-OE1 2.92Å; R1539-E1588 IonicContact NH2-OE2 3.62Å; R1539-E1588 PolarHBondContact NH2-OE2 2.91Å; S1584-E1588 WeakPolarHBondContact O-CB 3.31Å; S1584-E1588 PolarHBondContact O-N 2.87Å; K1586-E1588 PolarHBondContact O-N 3.35Å; E1588-L1590 HydrophobicContact CB-CD1 3.77Å; E1588-L1590 HydrophobicContact CB-CG 3.67Å; E1588-L1590 PolarHBondContact O-N 3.09Å; E1588-L1590 WeakPolarHBondContact OE2-CD1 3.34Å
1589	G	62.4	Low	70.6	Confident	45 Å²	45	52.1 Å²	52.1	46%	0.464	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	23.9	-178.5	0	0	0	0	0	114.1	K1586 N1587	K1586-G1589 PolarHBondContact O-N 3.46Å; N1587-G1589 VanDerWaalsContact C-N 3.27Å; N1587-G1589 PolarHBondContact O-N 2.62Å
1590	L	69.7	Low	71	Confident	27 Å²	27	52.5 Å²	52.5	14%	0.141	28%	0.275	C	S	.	.			trans	-88.4	-9.4	-175.4	-58.7	-178	0	0	0	113.3	L1538 R1539 T1542 P1546 F1547 A1585 E1588	L1538-L1590 HydrophobicContact CD2-CB 3.89Å; L1538-L1590 HydrophobicContact CD2-CD1 3.5Å; L1538-L1590 HydrophobicContact CD2-CG 4.32Å; R1539-L1590 HydrophobicContact CG-CD1 4.24Å; T1542-L1590 HydrophobicContact CG2-CB 4.34Å; P1546-L1590 CarbonylContact C-O 3.54Å; P1546-L1590 WeakPolarHBondContact CA-O 3.48Å; P1546-L1590 WeakPolarHBondContact CB-O 3.21Å; F1547-L1590 PolarHBondContact N-O 3.42Å; A1585-L1590 HydrophobicContact CB-CB 4.31Å; A1585-L1590 WeakPolarHBondContact O-CA 3.44Å; A1585-L1590 PolarHBondContact O-N 3.31Å; E1588-L1590 HydrophobicContact CB-CD1 3.77Å; E1588-L1590 HydrophobicContact CB-CG 3.67Å; E1588-L1590 PolarHBondContact O-N 3.09Å; E1588-L1590 WeakPolarHBondContact OE2-CD1 3.34Å
1591	V	64.1	Low	71.2	Confident	11 Å²	11	56.3 Å²	56.3	7%	0.067	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-126.5	134.6	167.9	170.4	0	0	0	0	109.5	F1547 F1552 A1585	F1547-V1591 HydrophobicContact CB-CG2 4.2Å; F1547-V1591 WeakPolarHBondContact O-CA 3.42Å; F1552-V1591 HydrophobicContact CB-CG2 3.72Å; F1552-V1591 HydrophobicContact CD1-CG2 4.46Å; F1552-V1591 HydrophobicContact CD2-CG2 3.79Å; F1552-V1591 HydrophobicContact CG-CG2 3.72Å; A1585-V1591 HydrophobicContact CB-CB 4.49Å; A1585-V1591 HydrophobicContact CB-CG2 3.86Å; A1585-V1591 PolarHBondContact O-N 3.25Å; A1585-V1591 VanDerWaalsContact O-N 3.09Å
1592	T	60.4	Low	71.3	Confident	69 Å²	69	58.2 Å²	58.2	42%	0.423	31%	0.305	S	S	.	.			trans	-111.7	144.7	-180	50	0	0	0	0	113	P1546 F1547	P1546-T1592 HydrophobicContact CB-CG2 4.41Å; P1546-T1592 HydrophobicContact CG-CG2 4.21Å; F1547-T1592 PolarHBondContact O-N 2.8Å
1593	T	62.6	Low	71.5	Confident	51 Å²	51	57.2 Å²	57.2	31%	0.313	30%	0.3	S	S	.	.			trans	-114	147.7	-179.6	52.9	0	0	0	0	112.3	W1595 Q1596	T1593-W1595 PolarHBondContact O-N 2.91Å; T1593-Q1596 PolarHBondContact O-N 3.24Å; T1593-Q1596 WeakPolarHBondContact OG1-CG 3.2Å
1594	E	67.4	Low	72.1	Confident	162 Å²	162	57 Å²	57	76%	0.757	30%	0.3	S	S	*	.	H	α-helix	trans	-65.4	-33.7	-172.1	-59.7	-167.1	159.9	0	0	114.6	A1597 K1598	E1594-A1597 WeakPolarHBondContact O-CB 3.41Å; E1594-A1597 PolarHBondContact O-N 3.41Å; E1594-K1598 PolarHBondContact O-N 3.12Å
1595	W	75.4	Confident	72.6	Confident	42 Å²	42	60.7 Å²	60.7	16%	0.159	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-43.5	-179	70.9	-103.3	0	0	0	111.9	T1593 A1597 K1598 E1599 Y1640 V1642 L1647 W1650	T1593-W1595 PolarHBondContact O-N 2.91Å; W1595-A1597 PolarHBondContact O-N 3.31Å; W1595-A1597 VanDerWaalsContact O-N 3.15Å; W1595-K1598 PolarHBondContact O-N 3.2Å; W1595-E1599 HydrophobicContact CE3-CG 3.96Å; W1595-E1599 HydrophobicContact CZ3-CG 4.32Å; W1595-E1599 PolarHBondContact O-N 2.95Å; W1595-Y1640 HydrophobicContact CB-CD1 3.49Å; W1595-Y1640 VanDerWaalsContact CB-CD1 3.49Å; W1595-Y1640 HydrophobicContact CB-CD2 4Å; W1595-Y1640 HydrophobicContact CB-CE1 4.1Å; W1595-Y1640 HydrophobicContact CB-CG 3.46Å; W1595-Y1640 VanDerWaalsContact CB-CG 3.46Å; W1595-Y1640 HydrophobicContact CG-CG 4.45Å; W1595-V1642 HydrophobicContact CD2-CG2 3.96Å; W1595-V1642 HydrophobicContact CG-CG2 4.11Å; W1595-V1642 HydrophobicContact CH2-CG1 4.29Å; W1595-V1642 HydrophobicContact CZ2-CG1 4.19Å; W1595-V1642 HydrophobicContact CZ2-CG2 4.19Å; W1595-L1647 HydrophobicContact CE3-CD1 4.28Å; W1595-L1647 HydrophobicContact CZ3-CD1 3.91Å; W1595-W1650 HydrophobicContact CH2-CB 3.88Å; W1595-W1650 AromaticContact CH2-CD1 3.79Å; W1595-W1650 HydrophobicContact CH2-CD2 4.07Å; W1595-W1650 AromaticContact CH2-CG 3.6Å; W1595-W1650 HydrophobicContact CH2-CG 3.6Å; W1595-W1650 HydrophobicContact CZ3-CB 4.33Å; W1595-W1650 AromaticContact CZ3-CD2 3.8Å; W1595-W1650 HydrophobicContact CZ3-CD2 3.8Å; W1595-W1650 HydrophobicContact CZ3-CE3 4.15Å; W1595-W1650 AromaticContact CZ3-CG 3.85Å; W1595-W1650 HydrophobicContact CZ3-CG 3.85Å
1596	Q	72.9	Confident	73.2	Confident	47 Å²	47	61.2 Å²	61.2	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-59.5	-27.8	175.8	-64.1	-177.7	-7	0	0	112.8	T1593 R1600 W1650	T1593-Q1596 PolarHBondContact O-N 3.24Å; T1593-Q1596 WeakPolarHBondContact OG1-CG 3.2Å; Q1596-R1600 WeakPolarHBondContact O-CB 3.2Å; Q1596-R1600 VanDerWaalsContact O-CG 3.28Å; Q1596-R1600 WeakPolarHBondContact O-CG 3.44Å; Q1596-R1600 PolarHBondContact O-N 3.23Å; Q1596-R1600 VanDerWaalsContact O-N 3.08Å; Q1596-W1650 HydrophobicContact CB-CZ2 4.09Å; Q1596-W1650 HydrophobicContact CG-CZ2 4.38Å
1597	A	71.8	Confident	73.6	Confident	60 Å²	60	56.9 Å²	56.9	50%	0.496	30%	0.303	S	S	.	.	H	α-helix	trans	-73.8	-33.4	175.1	0	0	0	0	0	112.1	E1594 W1595 L1601	E1594-A1597 WeakPolarHBondContact O-CB 3.41Å; E1594-A1597 PolarHBondContact O-N 3.41Å; W1595-A1597 PolarHBondContact O-N 3.31Å; W1595-A1597 VanDerWaalsContact O-N 3.15Å; A1597-L1601 PolarHBondContact O-N 3.13Å
1598	K	77.4	Confident	74.1	Confident	102 Å²	102	54.8 Å²	54.8	44%	0.443	29%	0.292	S	S	.	.	H	α-helix	trans	-79.5	-38.8	175.5	-59	-161.3	-139.1	165.4	0	112.5	E1594 W1595 L1601 H1602 Y1640	E1594-K1598 PolarHBondContact O-N 3.12Å; W1595-K1598 PolarHBondContact O-N 3.2Å; K1598-L1601 CarbonylContact O-C 3.59Å; K1598-L1601 WeakPolarHBondContact O-CA 3.38Å; K1598-L1601 WeakPolarHBondContact O-CB 3.38Å; K1598-L1601 PolarHBondContact O-N 3Å; K1598-H1602 PolarHBondContact O-N 3.37Å; K1598-Y1640 VanDerWaalsContact CD-OH 3.28Å; K1598-Y1640 WeakPolarHBondContact CD-OH 3.22Å; K1598-Y1640 WeakPolarHBondContact CE-OH 3.36Å; K1598-Y1640 PolarHBondContact NZ-OH 3.31Å
1599	E	80.9	Confident	74.4	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.028	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-39.2	173.7	-71.5	-53.6	125.1	0	0	112.3	W1595 L1601 H1602 I1603 H1632 W1650 Y1651	W1595-E1599 HydrophobicContact CE3-CG 3.96Å; W1595-E1599 HydrophobicContact CZ3-CG 4.32Å; W1595-E1599 PolarHBondContact O-N 2.95Å; E1599-L1601 PolarHBondContact O-N 3.41Å; E1599-H1602 WeakPolarHBondContact O-CB 3.45Å; E1599-H1602 PolarHBondContact O-N 3.43Å; E1599-I1603 PolarHBondContact O-N 3.48Å; E1599-H1632 IonicContact OE1-CE1 2.68Å; E1599-H1632 PolarHBondContact OE1-CE1 3.04Å; E1599-H1632 VanDerWaalsContact OE1-CE1 3.3Å; E1599-H1632 IonicContact OE2-CE1 3.12Å; E1599-H1632 PolarHBondContact OE2-CE1 3.32Å; E1599-H1632 IonicContact OE2-ND1 3.81Å; E1599-W1650 HydrophobicContact CB-CE3 4.22Å; E1599-W1650 HydrophobicContact CB-CH2 3.53Å; E1599-W1650 HydrophobicContact CB-CZ2 4.4Å; E1599-W1650 HydrophobicContact CB-CZ3 3.41Å; E1599-W1650 VanDerWaalsContact CB-CZ3 3.41Å; E1599-W1650 HydrophobicContact CG-CZ3 4.33Å; E1599-Y1651 WeakPolarHBondContact OE2-CE1 3.26Å; E1599-Y1651 PolarHBondContact OE2-OH 3.26Å
1600	R	80.9	Confident	74.4	Confident	77 Å²	77	56.5 Å²	56.5	29%	0.291	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-38.1	168.8	-80.9	175.8	173.7	141.4	7.2	111.9	Q1596 I1603 D1604 W1650 E1654	Q1596-R1600 WeakPolarHBondContact O-CB 3.2Å; Q1596-R1600 VanDerWaalsContact O-CG 3.28Å; Q1596-R1600 WeakPolarHBondContact O-CG 3.44Å; Q1596-R1600 PolarHBondContact O-N 3.23Å; Q1596-R1600 VanDerWaalsContact O-N 3.08Å; R1600-I1603 PolarHBondContact O-N 3.3Å; R1600-D1604 WeakPolarHBondContact O-CB 3.44Å; R1600-D1604 PolarHBondContact O-N 3.14Å; R1600-W1650 HydrophobicContact CG-CH2 3.77Å; R1600-W1650 HydrophobicContact CG-CZ2 3.8Å; R1600-E1654 IonicContact CZ-OE2 2.66Å; R1600-E1654 IonicContact NE-OE1 3.01Å; R1600-E1654 IonicContact NE-OE2 3.48Å; R1600-E1654 PolarHBondContact NE-OE2 3.48Å; R1600-E1654 IonicContact NH2-OE2 3.82Å; R1600-E1654 PolarHBondContact NH2-OE2 3.13Å
1601	L	81.9	Confident	73.8	Confident	104 Å²	104	59.9 Å²	59.9	55%	0.545	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-34.4	173.8	-116.1	165.4	0	0	0	112.4	A1597 K1598 E1599 N1605	A1597-L1601 PolarHBondContact O-N 3.13Å; K1598-L1601 CarbonylContact O-C 3.59Å; K1598-L1601 WeakPolarHBondContact O-CA 3.38Å; K1598-L1601 WeakPolarHBondContact O-CB 3.38Å; K1598-L1601 PolarHBondContact O-N 3Å; E1599-L1601 PolarHBondContact O-N 3.41Å; L1601-N1605 VanDerWaalsContact O-CB 3.3Å; L1601-N1605 WeakPolarHBondContact O-CB 3.2Å; L1601-N1605 VanDerWaalsContact O-CG 3.28Å; L1601-N1605 PolarHBondContact O-N 2.78Å; L1601-N1605 PolarHBondContact O-ND2 3.31Å
1602	H	84.6	Confident	73.3	Confident	40 Å²	40	69.7 Å²	69.7	19%	0.185	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-50.7	171.8	-176	104.1	0	0	0	111.1	K1598 E1599 N1605 L1606 H1632	K1598-H1602 PolarHBondContact O-N 3.37Å; E1599-H1602 WeakPolarHBondContact O-CB 3.45Å; E1599-H1602 PolarHBondContact O-N 3.43Å; H1602-N1605 CarbonylContact O-C 3.59Å; H1602-N1605 WeakPolarHBondContact O-CA 3.41Å; H1602-N1605 WeakPolarHBondContact O-CB 3.49Å; H1602-N1605 PolarHBondContact O-N 3.28Å; H1602-L1606 WeakPolarHBondContact NE2-CD1 3.28Å; H1602-L1606 PolarHBondContact O-N 3.08Å; H1602-H1632 AromaticContact CE1-CD2 3.46Å; H1602-H1632 PolarHBondContact CE1-CD2 3Å; H1602-H1632 VanDerWaalsContact CE1-CD2 3.46Å; H1602-H1632 AromaticContact CE1-CE1 3.74Å; H1602-H1632 AromaticContact CE1-CG 3.74Å; H1602-H1632 AromaticContact CE1-ND1 3.9Å; H1602-H1632 AromaticContact CE1-NE2 3.45Å; H1602-H1632 PolarHBondContact CE1-NE2 3.44Å; H1602-H1632 AromaticContact CG-CE1 3.66Å; H1602-H1632 AromaticContact CG-NE2 3.72Å; H1602-H1632 AromaticContact ND1-CD2 3.4Å; H1602-H1632 PolarHBondContact ND1-CD2 2.79Å; H1602-H1632 AromaticContact ND1-CE1 3.23Å; H1602-H1632 PolarHBondContact ND1-CE1 3.42Å; H1602-H1632 AromaticContact ND1-CG 3.94Å; H1602-H1632 AromaticContact ND1-ND1 3.84Å; H1602-H1632 AromaticContact ND1-NE2 2.87Å; H1602-H1632 PolarHBondContact ND1-NE2 3.49Å
1603	I	80.1	Confident	73	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-41.3	-178.9	-59.2	167.4	0	0	0	111.2	E1599 R1600 N1605 L1606 I1607 W1650 Y1651 E1654 L1658	E1599-I1603 PolarHBondContact O-N 3.48Å; R1600-I1603 PolarHBondContact O-N 3.3Å; I1603-N1605 VanDerWaalsContact C-N 3.25Å; I1603-N1605 PolarHBondContact O-N 3Å; I1603-L1606 PolarHBondContact O-N 3.36Å; I1603-I1607 HydrophobicContact CG2-CD1 3.94Å; I1603-I1607 HydrophobicContact CG2-CG1 4.45Å; I1603-I1607 WeakPolarHBondContact O-CG1 3.45Å; I1603-I1607 PolarHBondContact O-N 3.22Å; I1603-W1650 HydrophobicContact CD1-CH2 4.11Å; I1603-W1650 HydrophobicContact CD1-CZ3 3.73Å; I1603-Y1651 HydrophobicContact CD1-CD1 3.93Å; I1603-Y1651 HydrophobicContact CD1-CE1 4.11Å; I1603-E1654 HydrophobicContact CD1-CB 4.41Å; I1603-E1654 HydrophobicContact CD1-CG 3.89Å; I1603-L1658 HydrophobicContact CG2-CD1 3.5Å; I1603-L1658 VanDerWaalsContact CG2-CD1 3.5Å
1604	D	81	Confident	72.4	Confident	51 Å²	51	80.5 Å²	80.5	27%	0.273	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-36.2	170.8	-98.4	-33.6	0	0	0	111.2	R1600 N1608 R1663	R1600-D1604 WeakPolarHBondContact O-CB 3.44Å; R1600-D1604 PolarHBondContact O-N 3.14Å; D1604-N1608 VanDerWaalsContact O-CB 3.23Å; D1604-N1608 WeakPolarHBondContact O-CB 3.15Å; D1604-N1608 VanDerWaalsContact O-CG 3.3Å; D1604-N1608 PolarHBondContact O-N 3.05Å; D1604-N1608 PolarHBondContact O-ND2 3.12Å; D1604-R1663 IonicContact OD1-CZ 3.48Å; D1604-R1663 IonicContact OD1-NH1 2.68Å; D1604-R1663 PolarHBondContact OD1-NH1 3.24Å; D1604-R1663 IonicContact OD1-NH2 3.54Å; D1604-R1663 IonicContact OD2-NH1 3.65Å
1605	N	82.3	Confident	71.9	Confident	88 Å²	88	78.5 Å²	78.5	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-68	-41.1	174.4	-83.7	-52.5	0	0	0	112.7	L1601 H1602 I1603 N1608 Q1609	L1601-N1605 VanDerWaalsContact O-CB 3.3Å; L1601-N1605 WeakPolarHBondContact O-CB 3.2Å; L1601-N1605 VanDerWaalsContact O-CG 3.28Å; L1601-N1605 PolarHBondContact O-N 2.78Å; L1601-N1605 PolarHBondContact O-ND2 3.31Å; H1602-N1605 CarbonylContact O-C 3.59Å; H1602-N1605 WeakPolarHBondContact O-CA 3.41Å; H1602-N1605 WeakPolarHBondContact O-CB 3.49Å; H1602-N1605 PolarHBondContact O-N 3.28Å; I1603-N1605 VanDerWaalsContact C-N 3.25Å; I1603-N1605 PolarHBondContact O-N 3Å; N1605-N1608 PolarHBondContact O-N 3.12Å; N1605-Q1609 WeakPolarHBondContact O-CB 3.07Å; N1605-Q1609 WeakPolarHBondContact O-CG 3.14Å; N1605-Q1609 PolarHBondContact O-N 3.13Å
1606	L	81.7	Confident	71.3	Confident	14 Å²	14	83.2 Å²	83.2	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-59.9	-47.4	172.9	-73.5	175.5	0	0	0	111.4	H1602 I1603 Q1609 Q1610 W1617 L1622 L1626	H1602-L1606 WeakPolarHBondContact NE2-CD1 3.28Å; H1602-L1606 PolarHBondContact O-N 3.08Å; I1603-L1606 PolarHBondContact O-N 3.36Å; L1606-Q1609 PolarHBondContact O-N 2.94Å; L1606-Q1610 PolarHBondContact O-N 3.46Å; L1606-W1617 VanDerWaalsContact C-NE1 3.34Å; L1606-W1617 HydrophobicContact CB-CZ2 4.24Å; L1606-W1617 HydrophobicContact CD2-CZ2 4.29Å; L1606-W1617 PolarHBondContact O-NE1 3.19Å; L1606-L1622 HydrophobicContact CD1-CD2 4.05Å; L1606-L1626 HydrophobicContact CD1-CD2 4.04Å
1607	I	75.4	Confident	71.2	Confident	9 Å²	9	82.5 Å²	82.5	5%	0.046	39%	0.385	C	S	.	.	H	α-helix	trans	-61.6	-46.1	177.5	-68.5	170.7	0	0	0	110.5	I1603 Q1609 Q1610 L1611 L1658 I1664	I1603-I1607 HydrophobicContact CG2-CD1 3.94Å; I1603-I1607 HydrophobicContact CG2-CG1 4.45Å; I1603-I1607 WeakPolarHBondContact O-CG1 3.45Å; I1603-I1607 PolarHBondContact O-N 3.22Å; I1607-Q1609 VanDerWaalsContact C-N 3.32Å; I1607-Q1609 PolarHBondContact O-N 3.43Å; I1607-Q1610 PolarHBondContact O-N 2.83Å; I1607-L1611 HydrophobicContact CG2-CD1 3.82Å; I1607-L1611 HydrophobicContact CG2-CG 4.33Å; I1607-L1611 WeakPolarHBondContact O-CB 3.35Å; I1607-L1611 WeakPolarHBondContact O-CG 3.46Å; I1607-L1611 PolarHBondContact O-N 2.97Å; I1607-L1658 HydrophobicContact CD1-CD1 4.07Å; I1607-L1658 HydrophobicContact CD1-CD2 4.07Å; I1607-I1664 HydrophobicContact CD1-CG2 3.86Å; I1607-I1664 HydrophobicContact CG1-CG2 4.27Å
1608	N	76.5	Confident	71.1	Confident	75 Å²	75	81.2 Å²	81.2	40%	0.401	37%	0.371	S	S	.	.	H	α-helix	trans	-66.7	-28.2	177.2	-78.4	-61.5	0	0	0	113.6	D1604 N1605 R1612	D1604-N1608 VanDerWaalsContact O-CB 3.23Å; D1604-N1608 WeakPolarHBondContact O-CB 3.15Å; D1604-N1608 VanDerWaalsContact O-CG 3.3Å; D1604-N1608 PolarHBondContact O-N 3.05Å; D1604-N1608 PolarHBondContact O-ND2 3.12Å; N1605-N1608 PolarHBondContact O-N 3.12Å; N1608-R1612 WeakPolarHBondContact O-CG 3.29Å; N1608-R1612 PolarHBondContact O-N 3.5Å
1609	Q	72.7	Confident	70.8	Confident	129 Å²	129	77.8 Å²	77.8	60%	0.603	36%	0.357	S	S	*	.	H	α-helix	trans	-68.4	-37.7	173.2	-80.8	-170.2	31.3	0	0	112.8	N1605 L1606 I1607	N1605-Q1609 WeakPolarHBondContact O-CB 3.07Å; N1605-Q1609 WeakPolarHBondContact O-CG 3.14Å; N1605-Q1609 PolarHBondContact O-N 3.13Å; L1606-Q1609 PolarHBondContact O-N 2.94Å; I1607-Q1609 VanDerWaalsContact C-N 3.32Å; I1607-Q1609 PolarHBondContact O-N 3.43Å
1610	Q	62.7	Low	70	Confident	20 Å²	20	83.4 Å²	83.4	9%	0.093	38%	0.383	C	S	.	.	H	α-helix	trans	-86.6	-28.6	-179.3	-149	-166	27.3	0	0	112.9	L1606 I1607 R1612 K1613 Q1614 Q1615 W1617	L1606-Q1610 PolarHBondContact O-N 3.46Å; I1607-Q1610 PolarHBondContact O-N 2.83Å; Q1610-R1612 PolarHBondContact O-N 3.5Å; Q1610-K1613 CarbonylContact O-C 3.47Å; Q1610-K1613 VanDerWaalsContact O-CA 3.31Å; Q1610-K1613 WeakPolarHBondContact O-CA 3.41Å; Q1610-K1613 WeakPolarHBondContact O-CB 3.26Å; Q1610-K1613 PolarHBondContact O-N 3.43Å; Q1610-Q1614 PolarHBondContact O-N 3.43Å; Q1610-Q1615 CarbonylContact C-O 3.5Å; Q1610-Q1615 VanDerWaalsContact C-O 3.29Å; Q1610-Q1615 HydrophobicContact CG-CB 4.01Å; Q1610-Q1615 PolarHBondContact O-N 3Å; Q1610-Q1615 VanDerWaalsContact O-O 3.11Å; Q1610-W1617 HydrophobicContact CB-CZ2 4.42Å; Q1610-W1617 VanDerWaalsContact OE1-CA 3.26Å; Q1610-W1617 VanDerWaalsContact OE1-CD1 3.23Å
1611	L	56.6	Low	69.6	Low	98 Å²	98	83.8 Å²	83.8	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-57.6	-33.6	167.6	-77.5	170.7	0	0	0	112.3	I1607 K1613 Q1614	I1607-L1611 HydrophobicContact CG2-CD1 3.82Å; I1607-L1611 HydrophobicContact CG2-CG 4.33Å; I1607-L1611 WeakPolarHBondContact O-CB 3.35Å; I1607-L1611 WeakPolarHBondContact O-CG 3.46Å; I1607-L1611 PolarHBondContact O-N 2.97Å; L1611-K1613 PolarHBondContact O-N 3.17Å; L1611-Q1614 PolarHBondContact O-N 2.89Å
1612	R	53.9	Low	69.5	Low	217 Å²	217	78.8 Å²	78.8	82%	0.819	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.3	170.7	-70	171.6	-174.2	-167.4	3.3	114	N1608 Q1610	N1608-R1612 WeakPolarHBondContact O-CG 3.29Å; N1608-R1612 PolarHBondContact O-N 3.5Å; Q1610-R1612 PolarHBondContact O-N 3.5Å
1613	K	54	Low	69.1	Low	156 Å²	156	79.8 Å²	79.8	68%	0.678	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	9.5	175.8	-60	-178.2	177.8	178.6	0	113.3	Q1610 L1611 Q1615	Q1610-K1613 CarbonylContact O-C 3.47Å; Q1610-K1613 VanDerWaalsContact O-CA 3.31Å; Q1610-K1613 WeakPolarHBondContact O-CA 3.41Å; Q1610-K1613 WeakPolarHBondContact O-CB 3.26Å; Q1610-K1613 PolarHBondContact O-N 3.43Å; L1611-K1613 PolarHBondContact O-N 3.17Å; K1613-Q1615 PolarHBondContact O-N 2.82Å; K1613-Q1615 VanDerWaalsContact O-N 3.17Å
1614	Q	51.2	Low	68.8	Low	192 Å²	192	85.1 Å²	85.1	90%	0.897	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	14.4	-176.1	-58.5	-173.4	-15.4	0	0	115.8	Q1610 L1611	Q1610-Q1614 PolarHBondContact O-N 3.43Å; L1611-Q1614 PolarHBondContact O-N 2.89Å
1615	Q	55.6	Low	68.7	Low	120 Å²	120	88.2 Å²	88.2	56%	0.561	40%	0.403	S	S	*	.			trans	-110	148.4	174.9	-71.1	177.2	-47.1	0	0	110.4	Q1610 K1613	Q1610-Q1615 CarbonylContact C-O 3.5Å; Q1610-Q1615 VanDerWaalsContact C-O 3.29Å; Q1610-Q1615 HydrophobicContact CG-CB 4.01Å; Q1610-Q1615 PolarHBondContact O-N 3Å; Q1610-Q1615 VanDerWaalsContact O-O 3.11Å; K1613-Q1615 PolarHBondContact O-N 2.82Å; K1613-Q1615 VanDerWaalsContact O-N 3.17Å
1616	R	63.5	Low	68.5	Low	141 Å²	141	84.3 Å²	84.3	53%	0.532	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-103.1	144	170.2	-69.4	174.6	171.6	-177.2	-4.8	108.6	T1618 D1665	R1616-T1618 PolarHBondContact O-N 2.86Å; R1616-D1665 WeakPolarHBondContact CD-OD2 3.42Å; R1616-D1665 IonicContact CZ-OD2 3.62Å; R1616-D1665 IonicContact NE-OD2 3.73Å; R1616-D1665 IonicContact NH1-OD1 2.66Å; R1616-D1665 IonicContact NH1-OD2 2.73Å; R1616-D1665 PolarHBondContact NH1-OD2 2.83Å
1617	W	70.3	Confident	68	Low	31 Å²	31	87.8 Å²	87.8	12%	0.117	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-67.9	132.1	172.9	-67.2	94.2	0	0	0	109.2	L1606 Q1610 E1621 L1622 R1625 I1664 D1665	L1606-W1617 VanDerWaalsContact C-NE1 3.34Å; L1606-W1617 HydrophobicContact CB-CZ2 4.24Å; L1606-W1617 HydrophobicContact CD2-CZ2 4.29Å; L1606-W1617 PolarHBondContact O-NE1 3.19Å; Q1610-W1617 HydrophobicContact CB-CZ2 4.42Å; Q1610-W1617 VanDerWaalsContact OE1-CA 3.26Å; Q1610-W1617 VanDerWaalsContact OE1-CD1 3.23Å; W1617-E1621 HydrophobicContact CE3-CB 3.83Å; W1617-E1621 HydrophobicContact CZ3-CB 4.29Å; W1617-L1622 HydrophobicContact CB-CD1 3.42Å; W1617-L1622 VanDerWaalsContact CB-CD1 3.42Å; W1617-L1622 HydrophobicContact CB-CG 3.72Å; W1617-L1622 HydrophobicContact CD2-CD1 4.29Å; W1617-L1622 HydrophobicContact CD2-CD2 4.3Å; W1617-L1622 HydrophobicContact CD2-CG 3.78Å; W1617-L1622 HydrophobicContact CE3-CD2 4.43Å; W1617-L1622 HydrophobicContact CE3-CG 3.85Å; W1617-L1622 HydrophobicContact CG-CD1 3.71Å; W1617-L1622 HydrophobicContact CG-CG 3.74Å; W1617-R1625 HydrophobicContact CH2-CB 4.23Å; W1617-R1625 HydrophobicContact CH2-CG 3.9Å; W1617-R1625 HydrophobicContact CZ3-CB 3.93Å; W1617-R1625 HydrophobicContact CZ3-CG 4.12Å; W1617-I1664 HydrophobicContact CB-CG2 4.42Å; W1617-I1664 WeakPolarHBondContact O-CB 3.25Å; W1617-D1665 PolarHBondContact O-N 2.69Å
1618	T	70.3	Confident	67.9	Low	34 Å²	34	93 Å²	93	21%	0.209	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-74.6	158.5	157.1	59.2	0	0	0	0	110.4	R1616 E1620 E1621 L1622 D1665	R1616-T1618 PolarHBondContact O-N 2.86Å; T1618-E1620 VanDerWaalsContact C-N 3.27Å; T1618-E1620 PolarHBondContact O-N 3.14Å; T1618-E1621 WeakPolarHBondContact CB-OE2 3.47Å; T1618-E1621 WeakPolarHBondContact CG2-OE2 3.41Å; T1618-E1621 PolarHBondContact N-OE2 2.82Å; T1618-E1621 PolarHBondContact O-N 3.15Å; T1618-E1621 WeakPolarHBondContact OG1-CB 3.34Å; T1618-E1621 VanDerWaalsContact OG1-CD 3.3Å; T1618-E1621 WeakPolarHBondContact OG1-CG 3.13Å; T1618-E1621 PolarHBondContact OG1-N 2.88Å; T1618-E1621 PolarHBondContact OG1-OE2 3.1Å; T1618-L1622 PolarHBondContact O-N 3.41Å; T1618-L1622 VanDerWaalsContact O-N 3.11Å; T1618-D1665 CarbonylContact C-O 3.29Å; T1618-D1665 WeakPolarHBondContact CA-O 3.45Å
1619	I	70.6	Confident	67.9	Low	29 Å²	29	91.6 Å²	91.6	15%	0.149	42%	0.421	C	S	.	.	H	α-helix	trans	-58.5	-40.6	175.7	-164.6	176.2	0	0	0	111.7	L1622 E1623 L1655 L1659 I1664 D1665	I1619-L1622 PolarHBondContact O-N 3.29Å; I1619-E1623 PolarHBondContact O-N 3.09Å; I1619-L1655 HydrophobicContact CG1-CB 4.42Å; I1619-L1659 HydrophobicContact CB-CD1 4.43Å; I1619-L1659 HydrophobicContact CD1-CD1 3.83Å; I1619-I1664 HydrophobicContact CB-CD1 4.47Å; I1619-I1664 HydrophobicContact CG1-CD1 4.44Å; I1619-D1665 PolarHBondContact N-O 3.48Å; I1619-D1665 VanDerWaalsContact N-O 3.08Å
1620	E	65.2	Low	67.7	Low	124 Å²	124	91.9 Å²	91.9	58%	0.579	42%	0.422	S	S	*	.	H	α-helix	trans	-64.5	-44.4	178.8	-65	172.9	-175	0	0	111.9	T1618 L1622 L1624	T1618-E1620 VanDerWaalsContact C-N 3.27Å; T1618-E1620 PolarHBondContact O-N 3.14Å; E1620-L1622 VanDerWaalsContact C-N 3.28Å; E1620-L1622 PolarHBondContact O-N 3.33Å; E1620-L1624 WeakPolarHBondContact O-CB 3.49Å; E1620-L1624 PolarHBondContact O-N 2.8Å
1621	E	72	Confident	68.2	Low	85 Å²	85	98.1 Å²	98.1	40%	0.397	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-34.1	174.5	-73.4	167	120	0	0	112.4	W1617 T1618 R1625	W1617-E1621 HydrophobicContact CE3-CB 3.83Å; W1617-E1621 HydrophobicContact CZ3-CB 4.29Å; T1618-E1621 WeakPolarHBondContact CB-OE2 3.47Å; T1618-E1621 WeakPolarHBondContact CG2-OE2 3.41Å; T1618-E1621 PolarHBondContact N-OE2 2.82Å; T1618-E1621 PolarHBondContact O-N 3.15Å; T1618-E1621 WeakPolarHBondContact OG1-CB 3.34Å; T1618-E1621 VanDerWaalsContact OG1-CD 3.3Å; T1618-E1621 WeakPolarHBondContact OG1-CG 3.13Å; T1618-E1621 PolarHBondContact OG1-N 2.88Å; T1618-E1621 PolarHBondContact OG1-OE2 3.1Å; E1621-R1625 WeakPolarHBondContact O-CB 3.37Å; E1621-R1625 PolarHBondContact O-N 3.06Å
1622	L	79.2	Confident	69.3	Low	0 Å²	0	95.8 Å²	95.8	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-77	-44.3	178.8	-106.1	167.1	0	0	0	112.7	L1606 W1617 T1618 I1619 E1620 L1624 R1625 L1626 L1655 I1664	L1606-L1622 HydrophobicContact CD1-CD2 4.05Å; W1617-L1622 HydrophobicContact CB-CD1 3.42Å; W1617-L1622 VanDerWaalsContact CB-CD1 3.42Å; W1617-L1622 HydrophobicContact CB-CG 3.72Å; W1617-L1622 HydrophobicContact CD2-CD1 4.29Å; W1617-L1622 HydrophobicContact CD2-CD2 4.3Å; W1617-L1622 HydrophobicContact CD2-CG 3.78Å; W1617-L1622 HydrophobicContact CE3-CD2 4.43Å; W1617-L1622 HydrophobicContact CE3-CG 3.85Å; W1617-L1622 HydrophobicContact CG-CD1 3.71Å; W1617-L1622 HydrophobicContact CG-CG 3.74Å; T1618-L1622 PolarHBondContact O-N 3.41Å; T1618-L1622 VanDerWaalsContact O-N 3.11Å; I1619-L1622 PolarHBondContact O-N 3.29Å; E1620-L1622 VanDerWaalsContact C-N 3.28Å; E1620-L1622 PolarHBondContact O-N 3.33Å; L1622-L1624 VanDerWaalsContact C-N 3.31Å; L1622-L1624 PolarHBondContact O-N 3.37Å; L1622-R1625 PolarHBondContact O-N 3Å; L1622-L1626 HydrophobicContact CD2-CD1 4.27Å; L1622-L1626 HydrophobicContact CD2-CG 4.46Å; L1622-L1626 WeakPolarHBondContact O-CB 3.06Å; L1622-L1626 VanDerWaalsContact O-CG 3.29Å; L1622-L1626 WeakPolarHBondContact O-CG 3.31Å; L1622-L1626 PolarHBondContact O-N 3.32Å; L1622-L1655 HydrophobicContact CB-CD1 4.49Å; L1622-L1655 HydrophobicContact CB-CD2 3.73Å; L1622-L1655 HydrophobicContact CD1-CD2 3.69Å; L1622-L1655 HydrophobicContact CD2-CD2 4.33Å; L1622-L1655 HydrophobicContact CG-CD2 4.11Å; L1622-I1664 HydrophobicContact CD1-CB 4.31Å; L1622-I1664 HydrophobicContact CD1-CD1 4.27Å; L1622-I1664 HydrophobicContact CD1-CG2 3.53Å
1623	E	76.7	Confident	70.2	Confident	60 Å²	60	86.3 Å²	86.3	28%	0.28	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-44.1	171.5	-75.2	-165.6	129.5	0	0	110.6	I1619 R1625 L1626 N1627 K1652 L1655	I1619-E1623 PolarHBondContact O-N 3.09Å; E1623-R1625 VanDerWaalsContact C-N 3.29Å; E1623-R1625 PolarHBondContact O-N 3.23Å; E1623-L1626 PolarHBondContact O-N 2.8Å; E1623-N1627 WeakPolarHBondContact O-CB 3.4Å; E1623-N1627 PolarHBondContact O-N 3.48Å; E1623-N1627 PolarHBondContact O-ND2 2.85Å; E1623-K1652 WeakPolarHBondContact OE1-CE 3.31Å; E1623-L1655 HydrophobicContact CG-CD1 3.57Å
1624	L	72.5	Confident	71.1	Confident	115 Å²	115	85.2 Å²	85.2	60%	0.602	40%	0.398	S	S	*	.	H	α-helix	trans	-68.5	-28.6	177.6	-167.9	146.1	0	0	0	111.8	E1620 L1622 N1628	E1620-L1624 WeakPolarHBondContact O-CB 3.49Å; E1620-L1624 PolarHBondContact O-N 2.8Å; L1622-L1624 VanDerWaalsContact C-N 3.31Å; L1622-L1624 PolarHBondContact O-N 3.37Å; L1624-N1628 WeakPolarHBondContact CD2-ND2 3.44Å; L1624-N1628 WeakPolarHBondContact O-CB 3.22Å; L1624-N1628 PolarHBondContact O-N 3.22Å; L1624-N1628 PolarHBondContact O-ND2 3.49Å
1625	R	79.9	Confident	72.3	Confident	116 Å²	116	80.5 Å²	80.5	44%	0.438	38%	0.379	S	S	.	.	H	α-helix	trans	-69.2	-53	171.1	-170.2	72.6	-163.1	-165.6	4.6	111.7	W1617 E1621 L1622 E1623 N1627 N1628 D1629	W1617-R1625 HydrophobicContact CH2-CB 4.23Å; W1617-R1625 HydrophobicContact CH2-CG 3.9Å; W1617-R1625 HydrophobicContact CZ3-CB 3.93Å; W1617-R1625 HydrophobicContact CZ3-CG 4.12Å; E1621-R1625 WeakPolarHBondContact O-CB 3.37Å; E1621-R1625 PolarHBondContact O-N 3.06Å; L1622-R1625 PolarHBondContact O-N 3Å; E1623-R1625 VanDerWaalsContact C-N 3.29Å; E1623-R1625 PolarHBondContact O-N 3.23Å; R1625-N1627 VanDerWaalsContact C-N 3.34Å; R1625-N1627 PolarHBondContact O-N 3.35Å; R1625-N1628 PolarHBondContact O-N 3.43Å; R1625-N1628 VanDerWaalsContact O-N 3.12Å; R1625-D1629 IonicContact CZ-OD2 3.52Å; R1625-D1629 IonicContact NE-OD2 3.3Å; R1625-D1629 PolarHBondContact NE-OD2 2.96Å; R1625-D1629 IonicContact NH2-OD2 3.46Å; R1625-D1629 PolarHBondContact O-N 3.09Å
1626	L	78.9	Confident	73	Confident	6 Å²	6	75 Å²	75	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-34.6	-175.3	-67.2	166.5	0	0	0	112.2	L1606 L1622 E1623 Y1651 L1655	L1606-L1626 HydrophobicContact CD1-CD2 4.04Å; L1622-L1626 HydrophobicContact CD2-CD1 4.27Å; L1622-L1626 HydrophobicContact CD2-CG 4.46Å; L1622-L1626 WeakPolarHBondContact O-CB 3.06Å; L1622-L1626 VanDerWaalsContact O-CG 3.29Å; L1622-L1626 WeakPolarHBondContact O-CG 3.31Å; L1622-L1626 PolarHBondContact O-N 3.32Å; E1623-L1626 PolarHBondContact O-N 2.8Å; L1626-Y1651 HydrophobicContact CB-CD2 3.99Å; L1626-Y1651 HydrophobicContact CB-CE2 4.09Å; L1626-Y1651 HydrophobicContact CD1-CD1 4.24Å; L1626-Y1651 HydrophobicContact CD1-CD2 4.09Å; L1626-Y1651 HydrophobicContact CD1-CG 3.96Å; L1626-Y1651 HydrophobicContact CD2-CD2 4.35Å; L1626-Y1651 HydrophobicContact CD2-CE1 4.26Å; L1626-Y1651 HydrophobicContact CD2-CE2 3.94Å; L1626-Y1651 HydrophobicContact CG-CD2 4.37Å; L1626-Y1651 HydrophobicContact CG-CE2 4.39Å; L1626-L1655 HydrophobicContact CD1-CD1 4.17Å
1627	N	70.9	Confident	73.5	Confident	87 Å²	87	70.2 Å²	70.2	47%	0.465	34%	0.34	S	S	.	.	H	α-helix	trans	-71.4	-29.6	172.7	-75.2	-60.8	0	0	0	113.4	E1623 R1625	E1623-N1627 WeakPolarHBondContact O-CB 3.4Å; E1623-N1627 PolarHBondContact O-N 3.48Å; E1623-N1627 PolarHBondContact O-ND2 2.85Å; R1625-N1627 VanDerWaalsContact C-N 3.34Å; R1625-N1627 PolarHBondContact O-N 3.35Å
1628	N	72.3	Confident	73.6	Confident	117 Å²	117	72.1 Å²	72.1	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-86	-22.1	178	-81.4	-59.4	0	0	0	113.8	L1624 R1625 Q1630	L1624-N1628 WeakPolarHBondContact CD2-ND2 3.44Å; L1624-N1628 WeakPolarHBondContact O-CB 3.22Å; L1624-N1628 PolarHBondContact O-N 3.22Å; L1624-N1628 PolarHBondContact O-ND2 3.49Å; R1625-N1628 PolarHBondContact O-N 3.43Å; R1625-N1628 VanDerWaalsContact O-N 3.12Å; N1628-Q1630 PolarHBondContact O-N 2.86Å
1629	D	76.6	Confident	73.7	Confident	47 Å²	47	76.7 Å²	76.7	25%	0.251	38%	0.382	S	S	.	.			trans	-75.9	50.3	171.8	-94.2	-58.5	0	0	0	110.9	R1625 K1631 H1632 L1633	R1625-D1629 IonicContact CZ-OD2 3.52Å; R1625-D1629 IonicContact NE-OD2 3.3Å; R1625-D1629 PolarHBondContact NE-OD2 2.96Å; R1625-D1629 IonicContact NH2-OD2 3.46Å; R1625-D1629 PolarHBondContact O-N 3.09Å; D1629-K1631 PolarHBondContact O-N 3.49Å; D1629-H1632 HydrophobicContact CB-CB 4.18Å; D1629-H1632 WeakPolarHBondContact O-CA 3.02Å; D1629-H1632 WeakPolarHBondContact O-CB 3.38Å; D1629-H1632 PolarHBondContact O-N 2.78Å; D1629-L1633 PolarHBondContact O-N 3.43Å; D1629-L1633 VanDerWaalsContact O-N 3.08Å
1630	Q	68.3	Low	73.7	Confident	134 Å²	134	77.6 Å²	77.6	63%	0.626	38%	0.384	S	S	*	.	H	α-helix	trans	-47.5	-34.3	177.4	-82.6	-172	-30	0	0	113.2	N1628 L1633 Q1634	N1628-Q1630 PolarHBondContact O-N 2.86Å; Q1630-L1633 WeakPolarHBondContact O-CB 3.44Å; Q1630-L1633 PolarHBondContact O-N 2.85Å; Q1630-Q1634 WeakPolarHBondContact O-CB 3.35Å; Q1630-Q1634 WeakPolarHBondContact O-CG 3.45Å; Q1630-Q1634 PolarHBondContact O-N 3.32Å
1631	K	73	Confident	73.7	Confident	151 Å²	151	79.9 Å²	79.9	66%	0.657	39%	0.394	S	S	*	.	H	α-helix	trans	-70	-37	178	-164.6	173.8	-175.6	178.4	0	112.5	D1629 Q1634 D1635	D1629-K1631 PolarHBondContact O-N 3.49Å; K1631-Q1634 PolarHBondContact O-N 3.09Å; K1631-D1635 WeakPolarHBondContact O-CB 3.42Å; K1631-D1635 PolarHBondContact O-N 2.81Å
1632	H	80.1	Confident	73.4	Confident	49 Å²	49	76.3 Å²	76.3	23%	0.227	38%	0.378	C	S	.	.	H	α-helix	trans	-69.7	-38.2	173.2	-164	-93.2	0	0	0	111.3	E1599 H1602 D1629 D1635 A1636	E1599-H1632 IonicContact OE1-CE1 2.68Å; E1599-H1632 PolarHBondContact OE1-CE1 3.04Å; E1599-H1632 VanDerWaalsContact OE1-CE1 3.3Å; E1599-H1632 IonicContact OE2-CE1 3.12Å; E1599-H1632 PolarHBondContact OE2-CE1 3.32Å; E1599-H1632 IonicContact OE2-ND1 3.81Å; H1602-H1632 AromaticContact CE1-CD2 3.46Å; H1602-H1632 PolarHBondContact CE1-CD2 3Å; H1602-H1632 VanDerWaalsContact CE1-CD2 3.46Å; H1602-H1632 AromaticContact CE1-CE1 3.74Å; H1602-H1632 AromaticContact CE1-CG 3.74Å; H1602-H1632 AromaticContact CE1-ND1 3.9Å; H1602-H1632 AromaticContact CE1-NE2 3.45Å; H1602-H1632 PolarHBondContact CE1-NE2 3.44Å; H1602-H1632 AromaticContact CG-CE1 3.66Å; H1602-H1632 AromaticContact CG-NE2 3.72Å; H1602-H1632 AromaticContact ND1-CD2 3.4Å; H1602-H1632 PolarHBondContact ND1-CD2 2.79Å; H1602-H1632 AromaticContact ND1-CE1 3.23Å; H1602-H1632 PolarHBondContact ND1-CE1 3.42Å; H1602-H1632 AromaticContact ND1-CG 3.94Å; H1602-H1632 AromaticContact ND1-ND1 3.84Å; H1602-H1632 AromaticContact ND1-NE2 2.87Å; H1602-H1632 PolarHBondContact ND1-NE2 3.49Å; D1629-H1632 HydrophobicContact CB-CB 4.18Å; D1629-H1632 WeakPolarHBondContact O-CA 3.02Å; D1629-H1632 WeakPolarHBondContact O-CB 3.38Å; D1629-H1632 PolarHBondContact O-N 2.78Å; H1632-D1635 PolarHBondContact O-N 2.64Å; H1632-A1636 VanDerWaalsContact O-CB 3.23Å; H1632-A1636 WeakPolarHBondContact O-CB 3.09Å; H1632-A1636 PolarHBondContact O-N 2.79Å
1633	L	73.5	Confident	73.1	Confident	19 Å²	19	79.8 Å²	79.8	10%	0.099	40%	0.4	C	S	.	.	H	α-helix	trans	-57.6	-49.2	171.5	-63.4	177.4	0	0	0	110.9	D1629 Q1630 A1636 V1637 L1647 Y1651	D1629-L1633 PolarHBondContact O-N 3.43Å; D1629-L1633 VanDerWaalsContact O-N 3.08Å; Q1630-L1633 WeakPolarHBondContact O-CB 3.44Å; Q1630-L1633 PolarHBondContact O-N 2.85Å; L1633-A1636 PolarHBondContact O-N 3.04Å; L1633-V1637 WeakPolarHBondContact O-CB 3.39Å; L1633-V1637 WeakPolarHBondContact O-CG2 3.28Å; L1633-V1637 PolarHBondContact O-N 2.8Å; L1633-L1647 HydrophobicContact CD2-CD2 3.58Å; L1633-Y1651 HydrophobicContact CD2-CE2 3.73Å
1634	Q	72.4	Confident	72.6	Confident	133 Å²	133	79.8 Å²	79.8	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-62.9	-46.4	177.4	-74.8	172.4	-20.3	0	0	112.6	Q1630 K1631 A1636 V1637 A1638	Q1630-Q1634 WeakPolarHBondContact O-CB 3.35Å; Q1630-Q1634 WeakPolarHBondContact O-CG 3.45Å; Q1630-Q1634 PolarHBondContact O-N 3.32Å; K1631-Q1634 PolarHBondContact O-N 3.09Å; Q1634-A1636 VanDerWaalsContact C-N 3.33Å; Q1634-A1636 PolarHBondContact O-N 2.91Å; Q1634-V1637 PolarHBondContact O-N 3.19Å; Q1634-A1638 VanDerWaalsContact O-CB 3.29Å; Q1634-A1638 WeakPolarHBondContact O-CB 3.17Å; Q1634-A1638 PolarHBondContact O-N 2.87Å
1635	D	76.4	Confident	72.4	Confident	92 Å²	92	79.7 Å²	79.7	49%	0.492	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-39.5	177.1	-75.7	-26.8	0	0	0	111.5	K1631 H1632 Q1639	K1631-D1635 WeakPolarHBondContact O-CB 3.42Å; K1631-D1635 PolarHBondContact O-N 2.81Å; H1632-D1635 PolarHBondContact O-N 2.64Å; D1635-Q1639 WeakPolarHBondContact O-CB 3.42Å; D1635-Q1639 PolarHBondContact O-N 2.96Å
1636	A	71.3	Confident	71.9	Confident	4 Å²	4	78.6 Å²	78.6	3%	0.033	40%	0.4	C	S	.	.	H	α-helix	trans	-71.2	-43.8	178.6	0	0	0	0	0	112.8	H1632 L1633 Q1634 Q1639 Y1640 L1647	H1632-A1636 VanDerWaalsContact O-CB 3.23Å; H1632-A1636 WeakPolarHBondContact O-CB 3.09Å; H1632-A1636 PolarHBondContact O-N 2.79Å; L1633-A1636 PolarHBondContact O-N 3.04Å; Q1634-A1636 VanDerWaalsContact C-N 3.33Å; Q1634-A1636 PolarHBondContact O-N 2.91Å; A1636-Q1639 PolarHBondContact O-N 3.45Å; A1636-Y1640 WeakPolarHBondContact O-CD2 3.1Å; A1636-Y1640 PolarHBondContact O-N 3.22Å; A1636-L1647 HydrophobicContact CB-CD1 4.37Å; A1636-L1647 HydrophobicContact CB-CD2 4.16Å
1637	V	72.2	Confident	71.8	Confident	41 Å²	41	78.4 Å²	78.4	25%	0.248	40%	0.399	C	S	.	.	H	α-helix	trans	-57.9	-49.4	174	169.3	0	0	0	0	110.1	L1633 Q1634 Q1639 H1641 V1642 V1644	L1633-V1637 WeakPolarHBondContact O-CB 3.39Å; L1633-V1637 WeakPolarHBondContact O-CG2 3.28Å; L1633-V1637 PolarHBondContact O-N 2.8Å; Q1634-V1637 PolarHBondContact O-N 3.19Å; V1637-Q1639 PolarHBondContact O-N 3.36Å; V1637-H1641 WeakPolarHBondContact O-CA 3.45Å; V1637-H1641 PolarHBondContact O-N 2.79Å; V1637-V1642 WeakPolarHBondContact CA-O 3.46Å; V1637-V1642 WeakPolarHBondContact CG2-O 3.46Å; V1637-V1644 HydrophobicContact CG2-CG2 3.71Å
1638	A	72.4	Confident	72	Confident	72 Å²	72	77.9 Å²	77.9	60%	0.595	39%	0.392	S	S	*	.	H	α-helix	trans	-67.8	-34.3	-179.6	0	0	0	0	0	113.6	Q1634	Q1634-A1638 VanDerWaalsContact O-CB 3.29Å; Q1634-A1638 WeakPolarHBondContact O-CB 3.17Å; Q1634-A1638 PolarHBondContact O-N 2.87Å
1639	Q	74.3	Confident	71.9	Confident	129 Å²	129	76.2 Å²	76.2	60%	0.603	39%	0.386	S	S	*	.	H	α-helix	trans	-87.5	-19.4	-174.8	-170.2	166.2	103.9	0	0	114.4	D1635 A1636 V1637	D1635-Q1639 WeakPolarHBondContact O-CB 3.42Å; D1635-Q1639 PolarHBondContact O-N 2.96Å; A1636-Q1639 PolarHBondContact O-N 3.45Å; V1637-Q1639 PolarHBondContact O-N 3.36Å
1640	Y	70.5	Confident	72.2	Confident	48 Å²	48	75.2 Å²	75.2	19%	0.188	38%	0.379	C	S	.	.	H	α-helix	trans	-125.9	-4	-177.5	-57.5	-68	0	0	0	115.1	W1595 K1598 A1636 V1642	W1595-Y1640 HydrophobicContact CB-CD1 3.49Å; W1595-Y1640 VanDerWaalsContact CB-CD1 3.49Å; W1595-Y1640 HydrophobicContact CB-CD2 4Å; W1595-Y1640 HydrophobicContact CB-CE1 4.1Å; W1595-Y1640 HydrophobicContact CB-CG 3.46Å; W1595-Y1640 VanDerWaalsContact CB-CG 3.46Å; W1595-Y1640 HydrophobicContact CG-CG 4.45Å; K1598-Y1640 VanDerWaalsContact CD-OH 3.28Å; K1598-Y1640 WeakPolarHBondContact CD-OH 3.22Å; K1598-Y1640 WeakPolarHBondContact CE-OH 3.36Å; K1598-Y1640 PolarHBondContact NZ-OH 3.31Å; A1636-Y1640 WeakPolarHBondContact O-CD2 3.1Å; A1636-Y1640 PolarHBondContact O-N 3.22Å; Y1640-V1642 PolarHBondContact O-N 2.8Å
1641	H	64.1	Low	72.9	Confident	173 Å²	173	69.4 Å²	69.4	80%	0.801	35%	0.351	S	S	*	.			trans	54.6	36.2	-174.8	-53.4	-51.7	0	0	0	113.5	V1637	V1637-H1641 WeakPolarHBondContact O-CA 3.45Å; V1637-H1641 PolarHBondContact O-N 2.79Å
1642	V	66.6	Low	73	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.055	35%	0.345	C	S	.	.			trans	-96.9	137.7	174.5	-179.5	0	0	0	0	108.3	W1595 V1637 Y1640 E1646 L1647	W1595-V1642 HydrophobicContact CD2-CG2 3.96Å; W1595-V1642 HydrophobicContact CG-CG2 4.11Å; W1595-V1642 HydrophobicContact CH2-CG1 4.29Å; W1595-V1642 HydrophobicContact CZ2-CG1 4.19Å; W1595-V1642 HydrophobicContact CZ2-CG2 4.19Å; V1637-V1642 WeakPolarHBondContact CA-O 3.46Å; V1637-V1642 WeakPolarHBondContact CG2-O 3.46Å; Y1640-V1642 PolarHBondContact O-N 2.8Å; V1642-E1646 HydrophobicContact CG1-CB 3.65Å; V1642-L1647 HydrophobicContact CB-CD1 4.35Å; V1642-L1647 HydrophobicContact CG1-CB 4.41Å; V1642-L1647 HydrophobicContact CG1-CD1 3.96Å
1643	T	72.1	Confident	72.9	Confident	74 Å²	74	70.3 Å²	70.3	45%	0.454	36%	0.359	S	S	.	.			trans	-72.5	155.5	178.3	62.5	0	0	0	0	112.1	E1645 E1646 L1647	T1643-E1645 PolarHBondContact O-N 2.91Å; T1643-E1646 WeakPolarHBondContact CB-OE2 3.45Å; T1643-E1646 WeakPolarHBondContact CG2-OE2 3.43Å; T1643-E1646 PolarHBondContact N-OE2 3.32Å; T1643-E1646 PolarHBondContact O-N 3.05Å; T1643-E1646 WeakPolarHBondContact OG1-CB 3.47Å; T1643-E1646 WeakPolarHBondContact OG1-CG 3.45Å; T1643-E1646 PolarHBondContact OG1-N 3.45Å; T1643-E1646 PolarHBondContact OG1-OE2 2.7Å; T1643-L1647 PolarHBondContact O-N 3.49Å
1644	V	67.4	Low	73.3	Confident	60 Å²	60	69.7 Å²	69.7	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-58.4	-34.9	175.9	174.3	0	0	0	0	111.6	V1637 K1648	V1637-V1644 HydrophobicContact CG2-CG2 3.71Å; V1644-K1648 HydrophobicContact CG1-CD 4.19Å; V1644-K1648 HydrophobicContact CG1-CG 4.47Å; V1644-K1648 WeakPolarHBondContact O-CB 3.5Å; V1644-K1648 VanDerWaalsContact O-CG 3.25Å; V1644-K1648 WeakPolarHBondContact O-CG 3.47Å; V1644-K1648 PolarHBondContact O-N 3Å
1645	E	67.1	Low	73.6	Confident	113 Å²	113	63.4 Å²	63.4	53%	0.528	33%	0.327	S	S	.	.	H	α-helix	trans	-71	-46	176.9	-66.1	-54.6	117.8	0	0	112.3	T1643 L1647 K1648 V1649	T1643-E1645 PolarHBondContact O-N 2.91Å; E1645-L1647 VanDerWaalsContact C-N 3.26Å; E1645-L1647 PolarHBondContact O-N 3.35Å; E1645-K1648 PolarHBondContact O-N 3.44Å; E1645-K1648 WeakPolarHBondContact OE1-CD 3.18Å; E1645-K1648 IonicContact OE1-NZ 3.73Å; E1645-K1648 PolarHBondContact OE1-NZ 3.23Å; E1645-V1649 WeakPolarHBondContact O-CG2 3.37Å; E1645-V1649 PolarHBondContact O-N 2.9Å
1646	E	69.1	Low	73.5	Confident	93 Å²	93	63 Å²	63	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-57.1	-40.8	172.7	-75.1	167.1	117.1	0	0	111.8	V1642 T1643 W1650	V1642-E1646 HydrophobicContact CG1-CB 3.65Å; T1643-E1646 WeakPolarHBondContact CB-OE2 3.45Å; T1643-E1646 WeakPolarHBondContact CG2-OE2 3.43Å; T1643-E1646 PolarHBondContact N-OE2 3.32Å; T1643-E1646 PolarHBondContact O-N 3.05Å; T1643-E1646 WeakPolarHBondContact OG1-CB 3.47Å; T1643-E1646 WeakPolarHBondContact OG1-CG 3.45Å; T1643-E1646 PolarHBondContact OG1-N 3.45Å; T1643-E1646 PolarHBondContact OG1-OE2 2.7Å; E1646-W1650 VanDerWaalsContact O-CB 3.24Å; E1646-W1650 WeakPolarHBondContact O-CB 3.46Å; E1646-W1650 PolarHBondContact O-N 3.29Å
1647	L	77.4	Confident	73.9	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-69.5	-39.8	179.4	-148.5	93.4	0	0	0	111.9	W1595 L1633 A1636 V1642 T1643 E1645 W1650 Y1651	W1595-L1647 HydrophobicContact CE3-CD1 4.28Å; W1595-L1647 HydrophobicContact CZ3-CD1 3.91Å; L1633-L1647 HydrophobicContact CD2-CD2 3.58Å; A1636-L1647 HydrophobicContact CB-CD1 4.37Å; A1636-L1647 HydrophobicContact CB-CD2 4.16Å; V1642-L1647 HydrophobicContact CB-CD1 4.35Å; V1642-L1647 HydrophobicContact CG1-CB 4.41Å; V1642-L1647 HydrophobicContact CG1-CD1 3.96Å; T1643-L1647 PolarHBondContact O-N 3.49Å; E1645-L1647 VanDerWaalsContact C-N 3.26Å; E1645-L1647 PolarHBondContact O-N 3.35Å; L1647-W1650 PolarHBondContact O-N 2.95Å; L1647-Y1651 HydrophobicContact CD2-CE2 3.76Å; L1647-Y1651 HydrophobicContact CG-CE2 4.32Å; L1647-Y1651 WeakPolarHBondContact O-CB 3.43Å; L1647-Y1651 PolarHBondContact O-N 3.3Å
1648	K	75	Confident	74.2	Confident	76 Å²	76	65.3 Å²	65.3	33%	0.33	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-45.1	173.3	-78.4	168.8	-179.4	170.4	0	112.4	V1644 E1645 Y1651 K1652	V1644-K1648 HydrophobicContact CG1-CD 4.19Å; V1644-K1648 HydrophobicContact CG1-CG 4.47Å; V1644-K1648 WeakPolarHBondContact O-CB 3.5Å; V1644-K1648 VanDerWaalsContact O-CG 3.25Å; V1644-K1648 WeakPolarHBondContact O-CG 3.47Å; V1644-K1648 PolarHBondContact O-N 3Å; E1645-K1648 PolarHBondContact O-N 3.44Å; E1645-K1648 WeakPolarHBondContact OE1-CD 3.18Å; E1645-K1648 IonicContact OE1-NZ 3.73Å; E1645-K1648 PolarHBondContact OE1-NZ 3.23Å; K1648-Y1651 PolarHBondContact O-N 3.5Å; K1648-K1652 PolarHBondContact O-N 2.9Å
1649	V	71.2	Confident	74.1	Confident	83 Å²	83	63 Å²	63	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-47.2	176.8	170.7	0	0	0	0	109.5	E1645 Y1651 K1652 D1653	E1645-V1649 WeakPolarHBondContact O-CG2 3.37Å; E1645-V1649 PolarHBondContact O-N 2.9Å; V1649-Y1651 VanDerWaalsContact C-N 3.34Å; V1649-Y1651 PolarHBondContact O-N 2.84Å; V1649-K1652 PolarHBondContact O-N 3.2Å; V1649-K1652 VanDerWaalsContact O-N 3.12Å; V1649-D1653 PolarHBondContact O-N 3.09Å
1650	W	81.7	Confident	73.9	Confident	25 Å²	25	64.5 Å²	64.5	10%	0.095	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-38.6	176.4	-173.3	86.6	0	0	0	112.9	W1595 Q1596 E1599 R1600 I1603 E1646 L1647 D1653 E1654	W1595-W1650 HydrophobicContact CH2-CB 3.88Å; W1595-W1650 AromaticContact CH2-CD1 3.79Å; W1595-W1650 HydrophobicContact CH2-CD2 4.07Å; W1595-W1650 AromaticContact CH2-CG 3.6Å; W1595-W1650 HydrophobicContact CH2-CG 3.6Å; W1595-W1650 HydrophobicContact CZ3-CB 4.33Å; W1595-W1650 AromaticContact CZ3-CD2 3.8Å; W1595-W1650 HydrophobicContact CZ3-CD2 3.8Å; W1595-W1650 HydrophobicContact CZ3-CE3 4.15Å; W1595-W1650 AromaticContact CZ3-CG 3.85Å; W1595-W1650 HydrophobicContact CZ3-CG 3.85Å; Q1596-W1650 HydrophobicContact CB-CZ2 4.09Å; Q1596-W1650 HydrophobicContact CG-CZ2 4.38Å; E1599-W1650 HydrophobicContact CB-CE3 4.22Å; E1599-W1650 HydrophobicContact CB-CH2 3.53Å; E1599-W1650 HydrophobicContact CB-CZ2 4.4Å; E1599-W1650 HydrophobicContact CB-CZ3 3.41Å; E1599-W1650 VanDerWaalsContact CB-CZ3 3.41Å; E1599-W1650 HydrophobicContact CG-CZ3 4.33Å; R1600-W1650 HydrophobicContact CG-CH2 3.77Å; R1600-W1650 HydrophobicContact CG-CZ2 3.8Å; I1603-W1650 HydrophobicContact CD1-CH2 4.11Å; I1603-W1650 HydrophobicContact CD1-CZ3 3.73Å; E1646-W1650 VanDerWaalsContact O-CB 3.24Å; E1646-W1650 WeakPolarHBondContact O-CB 3.46Å; E1646-W1650 PolarHBondContact O-N 3.29Å; L1647-W1650 PolarHBondContact O-N 2.95Å; W1650-D1653 PolarHBondContact O-N 3.44Å; W1650-E1654 HydrophobicContact CE3-CB 4.44Å; W1650-E1654 HydrophobicContact CH2-CB 4.14Å; W1650-E1654 HydrophobicContact CH2-CG 3.87Å; W1650-E1654 HydrophobicContact CZ2-CB 4.27Å; W1650-E1654 HydrophobicContact CZ2-CG 4.17Å; W1650-E1654 HydrophobicContact CZ3-CB 4.22Å; W1650-E1654 HydrophobicContact CZ3-CG 4.31Å; W1650-E1654 VanDerWaalsContact O-CB 3.27Å; W1650-E1654 WeakPolarHBondContact O-CB 3.4Å; W1650-E1654 PolarHBondContact O-N 2.94Å
1651	Y	82.3	Confident	74.1	Confident	12 Å²	12	66.6 Å²	66.6	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-42.8	171.7	-75.2	-24.2	0	0	0	112	E1599 I1603 L1626 L1633 L1647 K1648 V1649 D1653 E1654 L1655	E1599-Y1651 WeakPolarHBondContact OE2-CE1 3.26Å; E1599-Y1651 PolarHBondContact OE2-OH 3.26Å; I1603-Y1651 HydrophobicContact CD1-CD1 3.93Å; I1603-Y1651 HydrophobicContact CD1-CE1 4.11Å; L1626-Y1651 HydrophobicContact CB-CD2 3.99Å; L1626-Y1651 HydrophobicContact CB-CE2 4.09Å; L1626-Y1651 HydrophobicContact CD1-CD1 4.24Å; L1626-Y1651 HydrophobicContact CD1-CD2 4.09Å; L1626-Y1651 HydrophobicContact CD1-CG 3.96Å; L1626-Y1651 HydrophobicContact CD2-CD2 4.35Å; L1626-Y1651 HydrophobicContact CD2-CE1 4.26Å; L1626-Y1651 HydrophobicContact CD2-CE2 3.94Å; L1626-Y1651 HydrophobicContact CG-CD2 4.37Å; L1626-Y1651 HydrophobicContact CG-CE2 4.39Å; L1633-Y1651 HydrophobicContact CD2-CE2 3.73Å; L1647-Y1651 HydrophobicContact CD2-CE2 3.76Å; L1647-Y1651 HydrophobicContact CG-CE2 4.32Å; L1647-Y1651 WeakPolarHBondContact O-CB 3.43Å; L1647-Y1651 PolarHBondContact O-N 3.3Å; K1648-Y1651 PolarHBondContact O-N 3.5Å; V1649-Y1651 VanDerWaalsContact C-N 3.34Å; V1649-Y1651 PolarHBondContact O-N 2.84Å; Y1651-D1653 PolarHBondContact O-N 3.41Å; Y1651-E1654 PolarHBondContact O-N 2.86Å; Y1651-L1655 VanDerWaalsContact O-CB 3.24Å; Y1651-L1655 WeakPolarHBondContact O-CB 3.3Å; Y1651-L1655 WeakPolarHBondContact O-CG 3.49Å; Y1651-L1655 PolarHBondContact O-N 2.86Å
1652	K	77	Confident	74.2	Confident	119 Å²	119	68.1 Å²	68.1	52%	0.517	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-44.4	174.6	-83.5	-171.7	174	-176.8	0	112.5	E1623 K1648 V1649 L1655 N1656	E1623-K1652 WeakPolarHBondContact OE1-CE 3.31Å; K1648-K1652 PolarHBondContact O-N 2.9Å; V1649-K1652 PolarHBondContact O-N 3.2Å; V1649-K1652 VanDerWaalsContact O-N 3.12Å; K1652-L1655 PolarHBondContact O-N 3.34Å; K1652-N1656 WeakPolarHBondContact O-CB 3.47Å; K1652-N1656 PolarHBondContact O-N 3.12Å; K1652-N1656 PolarHBondContact O-ND2 2.82Å; K1652-N1656 VanDerWaalsContact O-ND2 3.12Å
1653	D	76.3	Confident	74.4	Confident	100 Å²	100	73.1 Å²	73.1	54%	0.535	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-41.5	179.1	-73.9	-18.2	0	0	0	112.3	V1649 W1650 Y1651 N1656 R1657	V1649-D1653 PolarHBondContact O-N 3.09Å; W1650-D1653 PolarHBondContact O-N 3.44Å; Y1651-D1653 PolarHBondContact O-N 3.41Å; D1653-N1656 PolarHBondContact O-N 2.78Å; D1653-R1657 VanDerWaalsContact O-CB 3.3Å; D1653-R1657 WeakPolarHBondContact O-CB 3.46Å; D1653-R1657 PolarHBondContact O-N 3.42Å
1654	E	81.8	Confident	74.2	Confident	6 Å²	6	69.8 Å²	69.8	3%	0.028	32%	0.32	C	S	.	.	H	α-helix	trans	-69.5	-35.4	176.6	-172	61.1	-138.6	0	0	111.7	R1600 I1603 W1650 Y1651 R1657 L1658	R1600-E1654 IonicContact CZ-OE2 2.66Å; R1600-E1654 IonicContact NE-OE1 3.01Å; R1600-E1654 IonicContact NE-OE2 3.48Å; R1600-E1654 PolarHBondContact NE-OE2 3.48Å; R1600-E1654 IonicContact NH2-OE2 3.82Å; R1600-E1654 PolarHBondContact NH2-OE2 3.13Å; I1603-E1654 HydrophobicContact CD1-CB 4.41Å; I1603-E1654 HydrophobicContact CD1-CG 3.89Å; W1650-E1654 HydrophobicContact CE3-CB 4.44Å; W1650-E1654 HydrophobicContact CH2-CB 4.14Å; W1650-E1654 HydrophobicContact CH2-CG 3.87Å; W1650-E1654 HydrophobicContact CZ2-CB 4.27Å; W1650-E1654 HydrophobicContact CZ2-CG 4.17Å; W1650-E1654 HydrophobicContact CZ3-CB 4.22Å; W1650-E1654 HydrophobicContact CZ3-CG 4.31Å; W1650-E1654 VanDerWaalsContact O-CB 3.27Å; W1650-E1654 WeakPolarHBondContact O-CB 3.4Å; W1650-E1654 PolarHBondContact O-N 2.94Å; Y1651-E1654 PolarHBondContact O-N 2.86Å; E1654-R1657 VanDerWaalsContact CD-NE 3.3Å; E1654-R1657 WeakPolarHBondContact O-CB 3.26Å; E1654-R1657 PolarHBondContact O-N 3.46Å; E1654-R1657 IonicContact OE1-CZ 2.89Å; E1654-R1657 IonicContact OE1-NE 3.7Å; E1654-R1657 PolarHBondContact OE1-NE 2.77Å; E1654-R1657 IonicContact OE1-NH2 3.7Å; E1654-R1657 PolarHBondContact OE1-NH2 3.13Å; E1654-R1657 IonicContact OE2-CZ 3.74Å; E1654-R1657 IonicContact OE2-NE 3.46Å; E1654-R1657 PolarHBondContact OE2-NE 3.34Å; E1654-R1657 IonicContact OE2-NH2 3.15Å; E1654-R1657 PolarHBondContact OE2-NH2 2.91Å; E1654-L1658 HydrophobicContact CG-CD1 4.12Å; E1654-L1658 WeakPolarHBondContact O-CB 3.29Å; E1654-L1658 WeakPolarHBondContact O-CD1 3.35Å; E1654-L1658 WeakPolarHBondContact O-CG 3.17Å; E1654-L1658 PolarHBondContact O-N 3.37Å
1655	L	80.4	Confident	73.8	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-45.4	171.5	-72.9	174.3	0	0	0	111.8	I1619 L1622 E1623 L1626 Y1651 K1652 R1657 L1658 L1659 I1664	I1619-L1655 HydrophobicContact CG1-CB 4.42Å; L1622-L1655 HydrophobicContact CB-CD1 4.49Å; L1622-L1655 HydrophobicContact CB-CD2 3.73Å; L1622-L1655 HydrophobicContact CD1-CD2 3.69Å; L1622-L1655 HydrophobicContact CD2-CD2 4.33Å; L1622-L1655 HydrophobicContact CG-CD2 4.11Å; E1623-L1655 HydrophobicContact CG-CD1 3.57Å; L1626-L1655 HydrophobicContact CD1-CD1 4.17Å; Y1651-L1655 VanDerWaalsContact O-CB 3.24Å; Y1651-L1655 WeakPolarHBondContact O-CB 3.3Å; Y1651-L1655 WeakPolarHBondContact O-CG 3.49Å; Y1651-L1655 PolarHBondContact O-N 2.86Å; K1652-L1655 PolarHBondContact O-N 3.34Å; L1655-R1657 VanDerWaalsContact C-N 3.29Å; L1655-R1657 PolarHBondContact O-N 3.24Å; L1655-L1658 PolarHBondContact O-N 3.31Å; L1655-L1659 VanDerWaalsContact O-CB 3.24Å; L1655-L1659 WeakPolarHBondContact O-CB 3.31Å; L1655-L1659 PolarHBondContact O-N 3.33Å; L1655-I1664 HydrophobicContact CB-CD1 4.27Å; L1655-I1664 HydrophobicContact CD2-CD1 3.78Å; L1655-I1664 WeakPolarHBondContact O-CD1 3.37Å
1656	N	72.8	Confident	73	Confident	82 Å²	82	74 Å²	74	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-57.5	-43.7	172.3	-80.2	-41.2	0	0	0	111.1	K1652 D1653 L1658 L1659 E1660	K1652-N1656 WeakPolarHBondContact O-CB 3.47Å; K1652-N1656 PolarHBondContact O-N 3.12Å; K1652-N1656 PolarHBondContact O-ND2 2.82Å; K1652-N1656 VanDerWaalsContact O-ND2 3.12Å; D1653-N1656 PolarHBondContact O-N 2.78Å; N1656-L1658 PolarHBondContact O-N 2.99Å; N1656-L1659 WeakPolarHBondContact O-CB 3.41Å; N1656-L1659 PolarHBondContact O-N 2.86Å; N1656-E1660 WeakPolarHBondContact O-CG 3.31Å; N1656-E1660 PolarHBondContact O-N 2.95Å
1657	R	79.3	Confident	72	Confident	92 Å²	92	70.6 Å²	70.6	35%	0.347	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-40.9	176.1	-163.8	-176.6	81.5	117.3	3.7	112.6	D1653 E1654 L1655 L1659 Q1661	D1653-R1657 VanDerWaalsContact O-CB 3.3Å; D1653-R1657 WeakPolarHBondContact O-CB 3.46Å; D1653-R1657 PolarHBondContact O-N 3.42Å; E1654-R1657 VanDerWaalsContact CD-NE 3.3Å; E1654-R1657 WeakPolarHBondContact O-CB 3.26Å; E1654-R1657 PolarHBondContact O-N 3.46Å; E1654-R1657 IonicContact OE1-CZ 2.89Å; E1654-R1657 IonicContact OE1-NE 3.7Å; E1654-R1657 PolarHBondContact OE1-NE 2.77Å; E1654-R1657 IonicContact OE1-NH2 3.7Å; E1654-R1657 PolarHBondContact OE1-NH2 3.13Å; E1654-R1657 IonicContact OE2-CZ 3.74Å; E1654-R1657 IonicContact OE2-NE 3.46Å; E1654-R1657 PolarHBondContact OE2-NE 3.34Å; E1654-R1657 IonicContact OE2-NH2 3.15Å; E1654-R1657 PolarHBondContact OE2-NH2 2.91Å; L1655-R1657 VanDerWaalsContact C-N 3.29Å; L1655-R1657 PolarHBondContact O-N 3.24Å; R1657-L1659 VanDerWaalsContact C-N 3.34Å; R1657-Q1661 WeakPolarHBondContact O-CB 3.48Å; R1657-Q1661 VanDerWaalsContact O-CG 3.22Å; R1657-Q1661 WeakPolarHBondContact O-CG 3.37Å; R1657-Q1661 PolarHBondContact O-N 3.33Å
1658	L	78.6	Confident	70.1	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-69.8	-31.8	176.8	-73.6	163.1	0	0	0	112.4	I1603 I1607 E1654 L1655 N1656 Q1661 R1662 R1663 I1664	I1603-L1658 HydrophobicContact CG2-CD1 3.5Å; I1603-L1658 VanDerWaalsContact CG2-CD1 3.5Å; I1607-L1658 HydrophobicContact CD1-CD1 4.07Å; I1607-L1658 HydrophobicContact CD1-CD2 4.07Å; E1654-L1658 HydrophobicContact CG-CD1 4.12Å; E1654-L1658 WeakPolarHBondContact O-CB 3.29Å; E1654-L1658 WeakPolarHBondContact O-CD1 3.35Å; E1654-L1658 WeakPolarHBondContact O-CG 3.17Å; E1654-L1658 PolarHBondContact O-N 3.37Å; L1655-L1658 PolarHBondContact O-N 3.31Å; N1656-L1658 PolarHBondContact O-N 2.99Å; L1658-Q1661 CarbonylContact O-C 3.58Å; L1658-R1662 PolarHBondContact O-N 2.71Å; L1658-R1663 HydrophobicContact CB-CB 4.47Å; L1658-R1663 HydrophobicContact CD2-CB 3.96Å; L1658-R1663 HydrophobicContact CD2-CG 4.4Å; L1658-R1663 PolarHBondContact O-N 3.49Å; L1658-I1664 HydrophobicContact CB-CD1 4.16Å; L1658-I1664 HydrophobicContact CB-CG1 4.13Å; L1658-I1664 HydrophobicContact CB-CG2 4.25Å
1659	L	70.2	Confident	68.7	Low	23 Å²	23	74.2 Å²	74.2	12%	0.12	36%	0.36	C	S	.	.	H	α-helix	trans	-71.3	-43.8	175	178.5	161.7	0	0	0	111.1	I1619 L1655 N1656 R1657 Q1661 R1662 I1664 R1666	I1619-L1659 HydrophobicContact CB-CD1 4.43Å; I1619-L1659 HydrophobicContact CD1-CD1 3.83Å; L1655-L1659 VanDerWaalsContact O-CB 3.24Å; L1655-L1659 WeakPolarHBondContact O-CB 3.31Å; L1655-L1659 PolarHBondContact O-N 3.33Å; N1656-L1659 WeakPolarHBondContact O-CB 3.41Å; N1656-L1659 PolarHBondContact O-N 2.86Å; R1657-L1659 VanDerWaalsContact C-N 3.34Å; L1659-Q1661 VanDerWaalsContact C-N 3.32Å; L1659-Q1661 PolarHBondContact O-N 2.91Å; L1659-R1662 PolarHBondContact O-N 3.38Å; L1659-I1664 HydrophobicContact CB-CD1 4.17Å; L1659-I1664 HydrophobicContact CB-CG1 3.93Å; L1659-R1666 HydrophobicContact CD1-CG 3.7Å; L1659-R1666 HydrophobicContact CD2-CG 4.09Å; L1659-R1666 HydrophobicContact CG-CG 3.98Å
1660	E	72	Confident	67.8	Low	160 Å²	160	75 Å²	75	75%	0.748	36%	0.361	S	S	*	.	H	α-helix	trans	-61.3	-40.6	170.5	-71.9	-166.8	150.8	0	0	112	N1656 R1662	N1656-E1660 WeakPolarHBondContact O-CG 3.31Å; N1656-E1660 PolarHBondContact O-N 2.95Å; E1660-R1662 PolarHBondContact O-N 2.93Å
1661	Q	74.5	Confident	66.2	Low	93 Å²	93	78 Å²	78	44%	0.435	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-3.3	172.8	-70.6	176.2	23	0	0	114	R1657 L1658 L1659 R1663	R1657-Q1661 WeakPolarHBondContact O-CB 3.48Å; R1657-Q1661 VanDerWaalsContact O-CG 3.22Å; R1657-Q1661 WeakPolarHBondContact O-CG 3.37Å; R1657-Q1661 PolarHBondContact O-N 3.33Å; L1658-Q1661 CarbonylContact O-C 3.58Å; L1659-Q1661 VanDerWaalsContact C-N 3.32Å; L1659-Q1661 PolarHBondContact O-N 2.91Å; Q1661-R1663 HydrophobicContact CB-CG 4.37Å; Q1661-R1663 PolarHBondContact O-N 3.44Å
1662	R	65.3	Low	65.6	Low	205 Å²	205	78.4 Å²	78.4	77%	0.774	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	29.1	-178.7	-47.5	-179.1	-174.2	-175	-0	114.1	L1658 L1659 E1660	L1658-R1662 PolarHBondContact O-N 2.71Å; L1659-R1662 PolarHBondContact O-N 3.38Å; E1660-R1662 PolarHBondContact O-N 2.93Å
1663	R	71.2	Confident	65.4	Low	114 Å²	114	75.9 Å²	75.9	43%	0.43	38%	0.377	S	S	.	.	S	Bend	trans	-82.6	-25	173.6	-78.3	176.7	143	-141	-9	112.3	D1604 L1658 Q1661	D1604-R1663 IonicContact OD1-CZ 3.48Å; D1604-R1663 IonicContact OD1-NH1 2.68Å; D1604-R1663 PolarHBondContact OD1-NH1 3.24Å; D1604-R1663 IonicContact OD1-NH2 3.54Å; D1604-R1663 IonicContact OD2-NH1 3.65Å; L1658-R1663 HydrophobicContact CB-CB 4.47Å; L1658-R1663 HydrophobicContact CD2-CB 3.96Å; L1658-R1663 HydrophobicContact CD2-CG 4.4Å; L1658-R1663 PolarHBondContact O-N 3.49Å; Q1661-R1663 HydrophobicContact CB-CG 4.37Å; Q1661-R1663 PolarHBondContact O-N 3.44Å
1664	I	66.6	Low	65	Low	4 Å²	4	75.6 Å²	75.6	2%	0.021	38%	0.375	C	S	.	.	S	Bend	trans	-123.3	156.2	171.9	70.1	175.3	0	0	0	108.7	I1607 W1617 I1619 L1622 L1655 L1658 L1659	I1607-I1664 HydrophobicContact CD1-CG2 3.86Å; I1607-I1664 HydrophobicContact CG1-CG2 4.27Å; W1617-I1664 HydrophobicContact CB-CG2 4.42Å; W1617-I1664 WeakPolarHBondContact O-CB 3.25Å; I1619-I1664 HydrophobicContact CB-CD1 4.47Å; I1619-I1664 HydrophobicContact CG1-CD1 4.44Å; L1622-I1664 HydrophobicContact CD1-CB 4.31Å; L1622-I1664 HydrophobicContact CD1-CD1 4.27Å; L1622-I1664 HydrophobicContact CD1-CG2 3.53Å; L1655-I1664 HydrophobicContact CB-CD1 4.27Å; L1655-I1664 HydrophobicContact CD2-CD1 3.78Å; L1655-I1664 WeakPolarHBondContact O-CD1 3.37Å; L1658-I1664 HydrophobicContact CB-CD1 4.16Å; L1658-I1664 HydrophobicContact CB-CG1 4.13Å; L1658-I1664 HydrophobicContact CB-CG2 4.25Å; L1659-I1664 HydrophobicContact CB-CD1 4.17Å; L1659-I1664 HydrophobicContact CB-CG1 3.93Å
1665	D	60.9	Low	64.6	Low	71 Å²	71	79.7 Å²	79.7	38%	0.38	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-97.9	152.8	-178	-105.4	-58.5	0	0	0	112.7	R1616 W1617 T1618 I1619 G1667	R1616-D1665 WeakPolarHBondContact CD-OD2 3.42Å; R1616-D1665 IonicContact CZ-OD2 3.62Å; R1616-D1665 IonicContact NE-OD2 3.73Å; R1616-D1665 IonicContact NH1-OD1 2.66Å; R1616-D1665 IonicContact NH1-OD2 2.73Å; R1616-D1665 PolarHBondContact NH1-OD2 2.83Å; W1617-D1665 PolarHBondContact O-N 2.69Å; T1618-D1665 CarbonylContact C-O 3.29Å; T1618-D1665 WeakPolarHBondContact CA-O 3.45Å; I1619-D1665 PolarHBondContact N-O 3.48Å; I1619-D1665 VanDerWaalsContact N-O 3.08Å; D1665-G1667 PolarHBondContact O-N 3.13Å; D1665-G1667 VanDerWaalsContact O-N 3.13Å
1666	R	49.8	Very low	64.6	Low	189 Å²	189	79.6 Å²	79.6	71%	0.713	40%	0.396	S	S	*	.			trans	-75.7	-3.7	-162.9	-134	-175.1	-172	156.8	11	115.9	L1659	L1659-R1666 HydrophobicContact CD1-CG 3.7Å; L1659-R1666 HydrophobicContact CD2-CG 4.09Å; L1659-R1666 HydrophobicContact CG-CG 3.98Å
1667	G	47.9	Very low	64.8	Low	23 Å²	23	76.9 Å²	76.9	24%	0.237	38%	0.383	C	S	.	.			trans	73.7	128.8	-160.5	0	0	0	0	0	111.2	D1665 G1669	D1665-G1667 PolarHBondContact O-N 3.13Å; D1665-G1667 VanDerWaalsContact O-N 3.13Å; G1667-G1669 PolarHBondContact O-N 3.19Å
1668	S	38.2	Very low	64.5	Low	120 Å²	120	78.7 Å²	78.7	84%	0.839	40%	0.396	S	S	*	.	S	Bend	trans	-85.8	50.8	-179.2	50.2	0	0	0	0	112.4
1669	G	45.6	Very low	64.7	Low	32 Å²	32	80.3 Å²	80.3	33%	0.33	40%	0.402	S	S	.	.			trans	-117	150.8	-172	0	0	0	0	0	115.5	G1667 S1671	G1667-G1669 PolarHBondContact O-N 3.19Å; G1669-S1671 VanDerWaalsContact C-N 3.27Å; G1669-S1671 PolarHBondContact O-N 3.32Å
1670	I	50.5	Low	65.2	Low	101 Å²	101	79.2 Å²	79.2	52%	0.518	40%	0.396	S	S	.	.	S	Bend	trans	64	-44.5	152.1	-50.9	165.8	0	0	0	118.2	W1672 Q1673 N1674	I1670-W1672 PolarHBondContact O-N 3.14Å; I1670-Q1673 WeakPolarHBondContact O-CA 3.46Å; I1670-Q1673 VanDerWaalsContact O-CB 3.3Å; I1670-Q1673 WeakPolarHBondContact O-CB 3.29Å; I1670-Q1673 PolarHBondContact O-N 2.88Å; I1670-N1674 PolarHBondContact O-N 3.1Å; I1670-N1674 VanDerWaalsContact O-N 3.1Å
1671	S	49.1	Very low	65.2	Low	86 Å²	86	75.8 Å²	75.8	60%	0.601	38%	0.376	S	S	*	.	H	α-helix	trans	-60.8	-45.7	-171.9	59.2	0	0	0	0	113.7	G1669 Q1673 I1675	G1669-S1671 VanDerWaalsContact C-N 3.27Å; G1669-S1671 PolarHBondContact O-N 3.32Å; S1671-Q1673 VanDerWaalsContact C-N 3.31Å; S1671-Q1673 PolarHBondContact O-N 2.83Å; S1671-I1675 WeakPolarHBondContact O-CG1 3.43Å; S1671-I1675 PolarHBondContact O-N 2.71Å
1672	W	69.5	Low	65.2	Low	22 Å²	22	75.8 Å²	75.8	8%	0.083	38%	0.379	C	S	.	.	H	α-helix	trans	-69	-29.8	174.3	68.2	-97.7	0	0	0	112.6	I1670 N1674 I1675 E1676 Y1710 I1712 L1717 F1720	I1670-W1672 PolarHBondContact O-N 3.14Å; W1672-N1674 VanDerWaalsContact C-N 3.33Å; W1672-N1674 PolarHBondContact O-N 3.24Å; W1672-I1675 PolarHBondContact O-N 3.09Å; W1672-E1676 WeakPolarHBondContact O-CB 3.15Å; W1672-E1676 PolarHBondContact O-N 3.45Å; W1672-Y1710 HydrophobicContact CB-CD1 3.54Å; W1672-Y1710 HydrophobicContact CB-CD2 4.32Å; W1672-Y1710 HydrophobicContact CB-CE1 4.09Å; W1672-Y1710 HydrophobicContact CB-CG 3.67Å; W1672-Y1710 HydrophobicContact CG-CG 4.41Å; W1672-I1712 HydrophobicContact CD2-CD1 3.68Å; W1672-I1712 HydrophobicContact CD2-CG2 4.37Å; W1672-I1712 HydrophobicContact CE3-CD1 3.57Å; W1672-I1712 HydrophobicContact CG-CD1 4.43Å; W1672-I1712 HydrophobicContact CH2-CD1 3.69Å; W1672-I1712 HydrophobicContact CZ2-CD1 3.79Å; W1672-I1712 HydrophobicContact CZ2-CG2 4.07Å; W1672-I1712 HydrophobicContact CZ3-CD1 3.58Å; W1672-L1717 HydrophobicContact CE3-CD1 4.5Å; W1672-L1717 HydrophobicContact CZ3-CD1 4.04Å; W1672-F1720 HydrophobicContact CH2-CB 3.85Å; W1672-F1720 HydrophobicContact CH2-CD1 4.41Å; W1672-F1720 HydrophobicContact CH2-CD2 4.01Å; W1672-F1720 AromaticContact CH2-CG 3.83Å; W1672-F1720 HydrophobicContact CH2-CG 3.83Å; W1672-F1720 HydrophobicContact CZ3-CB 3.95Å; W1672-F1720 AromaticContact CZ3-CD1 3.78Å; W1672-F1720 HydrophobicContact CZ3-CD1 3.78Å; W1672-F1720 HydrophobicContact CZ3-CD2 4.13Å; W1672-F1720 HydrophobicContact CZ3-CE1 4.33Å; W1672-F1720 AromaticContact CZ3-CG 3.67Å; W1672-F1720 HydrophobicContact CZ3-CG 3.67Å
1673	Q	72.8	Confident	65.7	Low	65 Å²	65	66.8 Å²	66.8	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-38	179.4	-62.5	-179.4	-6.2	0	0	110.8	I1670 S1671 S1677 F1720	I1670-Q1673 WeakPolarHBondContact O-CA 3.46Å; I1670-Q1673 VanDerWaalsContact O-CB 3.3Å; I1670-Q1673 WeakPolarHBondContact O-CB 3.29Å; I1670-Q1673 PolarHBondContact O-N 2.88Å; S1671-Q1673 VanDerWaalsContact C-N 3.31Å; S1671-Q1673 PolarHBondContact O-N 2.83Å; Q1673-S1677 WeakPolarHBondContact O-CB 3.39Å; Q1673-S1677 PolarHBondContact O-N 3.07Å; Q1673-S1677 PolarHBondContact O-OG 3.46Å; Q1673-F1720 HydrophobicContact CB-CE1 4.36Å; Q1673-F1720 HydrophobicContact CB-CE2 3.61Å; Q1673-F1720 HydrophobicContact CB-CZ 3.51Å; Q1673-F1720 HydrophobicContact CG-CD2 4.1Å; Q1673-F1720 HydrophobicContact CG-CE2 3.6Å; Q1673-F1720 HydrophobicContact CG-CZ 3.97Å; Q1673-F1720 WeakPolarHBondContact O-CZ 3.42Å
1674	N	67.3	Low	65.9	Low	95 Å²	95	61.7 Å²	61.7	51%	0.508	33%	0.33	S	S	.	.	H	α-helix	trans	-66.8	-45.1	174	-72.8	-11.3	0	0	0	111.9	I1670 W1672 S1677 Q1678	I1670-N1674 PolarHBondContact O-N 3.1Å; I1670-N1674 VanDerWaalsContact O-N 3.1Å; W1672-N1674 VanDerWaalsContact C-N 3.33Å; W1672-N1674 PolarHBondContact O-N 3.24Å; N1674-S1677 PolarHBondContact O-N 2.68Å; N1674-Q1678 WeakPolarHBondContact O-CG 3.24Å; N1674-Q1678 PolarHBondContact O-N 3.47Å
1675	I	74	Confident	65.8	Low	92 Å²	92	63.8 Å²	63.8	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-42.5	179.3	-57.9	168.2	0	0	0	111	S1671 W1672 R1679 Y1710	S1671-I1675 WeakPolarHBondContact O-CG1 3.43Å; S1671-I1675 PolarHBondContact O-N 2.71Å; W1672-I1675 PolarHBondContact O-N 3.09Å; I1675-R1679 PolarHBondContact O-N 2.7Å; I1675-Y1710 HydrophobicContact CB-CE1 4.4Å; I1675-Y1710 HydrophobicContact CG2-CE1 4.27Å; I1675-Y1710 VanDerWaalsContact CG2-OH 3.25Å; I1675-Y1710 WeakPolarHBondContact CG2-OH 3.48Å
1676	E	80.8	Confident	66.3	Low	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-75.1	-33.7	178.5	-168.3	64.6	-160.4	0	0	111.6	W1672 Q1678 R1679 I1680 R1706 Y1710 L1717 F1720 I1721	W1672-E1676 WeakPolarHBondContact O-CB 3.15Å; W1672-E1676 PolarHBondContact O-N 3.45Å; E1676-Q1678 VanDerWaalsContact C-N 3.34Å; E1676-Q1678 PolarHBondContact O-N 3.29Å; E1676-R1679 CarbonylContact O-C 3.5Å; E1676-R1679 WeakPolarHBondContact O-CB 3.48Å; E1676-R1679 PolarHBondContact O-N 3.38Å; E1676-R1679 VanDerWaalsContact O-N 3.13Å; E1676-R1679 IonicContact OE1-CZ 3.47Å; E1676-R1679 IonicContact OE1-NE 2.73Å; E1676-R1679 IonicContact OE1-NH1 3.28Å; E1676-R1679 PolarHBondContact OE1-NH1 3.09Å; E1676-R1679 IonicContact OE2-NH1 2.92Å; E1676-I1680 HydrophobicContact CG-CD1 4.14Å; E1676-I1680 HydrophobicContact CG-CG1 4.45Å; E1676-I1680 VanDerWaalsContact O-CG1 3.24Å; E1676-I1680 WeakPolarHBondContact O-CG1 3.15Å; E1676-I1680 PolarHBondContact O-N 3.36Å; E1676-R1706 IonicContact OE2-CZ 3.05Å; E1676-R1706 IonicContact OE2-NE 3.17Å; E1676-R1706 IonicContact OE2-NH1 2.76Å; E1676-R1706 PolarHBondContact OE2-NH1 2.85Å; E1676-Y1710 HydrophobicContact CB-CE2 4.23Å; E1676-Y1710 WeakPolarHBondContact OE2-CE2 3.32Å; E1676-Y1710 PolarHBondContact OE2-OH 3.26Å; E1676-L1717 HydrophobicContact CG-CD1 3.86Å; E1676-F1720 HydrophobicContact CB-CD1 4.48Å; E1676-F1720 HydrophobicContact CB-CE1 4.19Å; E1676-F1720 HydrophobicContact CG-CD1 4.34Å; E1676-F1720 HydrophobicContact CG-CE1 4.44Å; E1676-I1721 HydrophobicContact CG-CG1 4.4Å
1677	S	76.4	Confident	67.2	Low	25 Å²	25	58.4 Å²	58.4	18%	0.175	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-42	171	-62.3	0	0	0	0	111.6	Q1673 N1674 R1679 I1680 Y1681 F1720	Q1673-S1677 WeakPolarHBondContact O-CB 3.39Å; Q1673-S1677 PolarHBondContact O-N 3.07Å; Q1673-S1677 PolarHBondContact O-OG 3.46Å; N1674-S1677 PolarHBondContact O-N 2.68Å; S1677-R1679 VanDerWaalsContact C-N 3.35Å; S1677-R1679 PolarHBondContact O-N 3.07Å; S1677-I1680 PolarHBondContact O-N 2.82Å; S1677-Y1681 VanDerWaalsContact O-CB 3.31Å; S1677-Y1681 WeakPolarHBondContact O-CB 3.16Å; S1677-Y1681 PolarHBondContact O-N 2.76Å; S1677-F1720 VanDerWaalsContact OG-CZ 3.31Å; S1677-F1720 WeakPolarHBondContact OG-CZ 3.24Å
1678	Q	73.3	Confident	67.3	Low	129 Å²	129	60.9 Å²	60.9	60%	0.603	34%	0.34	S	S	*	.	H	α-helix	trans	-61.4	-40.6	171.7	-75	178.8	-10.3	0	0	111.6	N1674 E1676 L1682	N1674-Q1678 WeakPolarHBondContact O-CG 3.24Å; N1674-Q1678 PolarHBondContact O-N 3.47Å; E1676-Q1678 VanDerWaalsContact C-N 3.34Å; E1676-Q1678 PolarHBondContact O-N 3.29Å; Q1678-L1682 VanDerWaalsContact O-CB 3.24Å; Q1678-L1682 WeakPolarHBondContact O-CB 3.2Å; Q1678-L1682 WeakPolarHBondContact O-CD1 3.2Å; Q1678-L1682 WeakPolarHBondContact O-CG 3.44Å; Q1678-L1682 PolarHBondContact O-N 3.45Å
1679	R	83.8	Confident	68.3	Low	38 Å²	38	58 Å²	58	14%	0.143	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-45	172	171	171	179.8	-106.2	5.2	112.3	I1675 E1676 S1677 A1683 L1699 D1702	I1675-R1679 PolarHBondContact O-N 2.7Å; E1676-R1679 CarbonylContact O-C 3.5Å; E1676-R1679 WeakPolarHBondContact O-CB 3.48Å; E1676-R1679 PolarHBondContact O-N 3.38Å; E1676-R1679 VanDerWaalsContact O-N 3.13Å; E1676-R1679 IonicContact OE1-CZ 3.47Å; E1676-R1679 IonicContact OE1-NE 2.73Å; E1676-R1679 IonicContact OE1-NH1 3.28Å; E1676-R1679 PolarHBondContact OE1-NH1 3.09Å; E1676-R1679 IonicContact OE2-NH1 2.92Å; S1677-R1679 VanDerWaalsContact C-N 3.35Å; S1677-R1679 PolarHBondContact O-N 3.07Å; R1679-A1683 WeakPolarHBondContact O-CB 3.2Å; R1679-A1683 PolarHBondContact O-N 3.32Å; R1679-L1699 HydrophobicContact CG-CD2 4.02Å; R1679-L1699 PolarHBondContact NH1-O 3.07Å; R1679-L1699 VanDerWaalsContact NH1-O 3.11Å; R1679-L1699 PolarHBondContact NH2-O 3.47Å; R1679-D1702 IonicContact CZ-OD2 3.18Å; R1679-D1702 IonicContact NE-OD2 3.59Å; R1679-D1702 IonicContact NH2-OD2 3.56Å; R1679-D1702 PolarHBondContact NH2-OD2 2.96Å
1680	I	80	Confident	69.4	Low	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.3	-46.4	-177.6	-63.1	162.7	0	0	0	109.6	E1676 S1677 A1683 I1684 L1699 F1720 I1721 Q1724 L1725 F1728	E1676-I1680 HydrophobicContact CG-CD1 4.14Å; E1676-I1680 HydrophobicContact CG-CG1 4.45Å; E1676-I1680 VanDerWaalsContact O-CG1 3.24Å; E1676-I1680 WeakPolarHBondContact O-CG1 3.15Å; E1676-I1680 PolarHBondContact O-N 3.36Å; S1677-I1680 PolarHBondContact O-N 2.82Å; I1680-A1683 WeakPolarHBondContact O-CB 3.13Å; I1680-A1683 PolarHBondContact O-N 2.92Å; I1680-A1683 VanDerWaalsContact O-N 3.16Å; I1680-I1684 HydrophobicContact CG2-CD1 3.95Å; I1680-I1684 WeakPolarHBondContact O-CD1 3.46Å; I1680-I1684 VanDerWaalsContact O-CG1 3.29Å; I1680-I1684 WeakPolarHBondContact O-CG1 3.3Å; I1680-I1684 PolarHBondContact O-N 3.24Å; I1680-L1699 HydrophobicContact CB-CD1 4.45Å; I1680-L1699 HydrophobicContact CG1-CD1 4.12Å; I1680-L1699 HydrophobicContact CG1-CD2 4.01Å; I1680-L1699 HydrophobicContact CG2-CD1 4.04Å; I1680-F1720 HydrophobicContact CD1-CD1 4.42Å; I1680-F1720 HydrophobicContact CD1-CE1 4.39Å; I1680-I1721 HydrophobicContact CD1-CB 4.41Å; I1680-I1721 HydrophobicContact CD1-CG1 3.96Å; I1680-Q1724 HydrophobicContact CD1-CB 3.84Å; I1680-Q1724 HydrophobicContact CD1-CG 4.24Å; I1680-L1725 HydrophobicContact CG2-CD2 3.84Å; I1680-L1725 HydrophobicContact CG2-CG 4.18Å; I1680-F1728 HydrophobicContact CB-CE2 4.03Å; I1680-F1728 HydrophobicContact CG2-CD2 3.58Å; I1680-F1728 HydrophobicContact CG2-CE2 3.5Å
1681	Y	71.5	Confident	70.3	Confident	87 Å²	87	56.2 Å²	56.2	34%	0.341	32%	0.316	S	S	.	.	H	α-helix	trans	-57.2	-51.8	174.1	-178.2	-107	0	0	0	111.6	S1677 A1683 I1684 V1685 F1728	S1677-Y1681 VanDerWaalsContact O-CB 3.31Å; S1677-Y1681 WeakPolarHBondContact O-CB 3.16Å; S1677-Y1681 PolarHBondContact O-N 2.76Å; Y1681-A1683 VanDerWaalsContact C-N 3.29Å; Y1681-A1683 PolarHBondContact O-N 2.75Å; Y1681-I1684 PolarHBondContact O-N 2.88Å; Y1681-I1684 VanDerWaalsContact O-N 3.12Å; Y1681-V1685 HydrophobicContact CD1-CG2 4.21Å; Y1681-V1685 HydrophobicContact CD2-CG2 4.19Å; Y1681-V1685 HydrophobicContact CE1-CG2 3.86Å; Y1681-V1685 HydrophobicContact CE2-CG2 3.84Å; Y1681-V1685 HydrophobicContact CG-CG2 4.37Å; Y1681-V1685 WeakPolarHBondContact O-CG2 3.46Å; Y1681-V1685 PolarHBondContact O-N 3.16Å; Y1681-F1728 HydrophobicContact CD2-CE1 4.03Å; Y1681-F1728 HydrophobicContact CD2-CZ 4.4Å
1682	L	74.1	Confident	71.5	Confident	93 Å²	93	54.7 Å²	54.7	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-33.5	175.8	-71.5	169.4	0	0	0	112.5	Q1678 I1684 N1686	Q1678-L1682 VanDerWaalsContact O-CB 3.24Å; Q1678-L1682 WeakPolarHBondContact O-CB 3.2Å; Q1678-L1682 WeakPolarHBondContact O-CD1 3.2Å; Q1678-L1682 WeakPolarHBondContact O-CG 3.44Å; Q1678-L1682 PolarHBondContact O-N 3.45Å; L1682-I1684 VanDerWaalsContact C-N 3.32Å; L1682-N1686 VanDerWaalsContact O-CB 3.24Å; L1682-N1686 WeakPolarHBondContact O-CB 3.44Å; L1682-N1686 PolarHBondContact O-N 3.37Å; L1682-N1686 PolarHBondContact O-ND2 3.44Å
1683	A	76.9	Confident	71.7	Confident	17 Å²	17	60.4 Å²	60.4	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-68.1	-31.9	176	0	0	0	0	0	112.4	R1679 I1680 Y1681 N1687 L1695 L1699	R1679-A1683 WeakPolarHBondContact O-CB 3.2Å; R1679-A1683 PolarHBondContact O-N 3.32Å; I1680-A1683 WeakPolarHBondContact O-CB 3.13Å; I1680-A1683 PolarHBondContact O-N 2.92Å; I1680-A1683 VanDerWaalsContact O-N 3.16Å; Y1681-A1683 VanDerWaalsContact C-N 3.29Å; Y1681-A1683 PolarHBondContact O-N 2.75Å; A1683-N1687 WeakPolarHBondContact O-CB 3.44Å; A1683-N1687 PolarHBondContact O-ND2 2.85Å; A1683-L1695 HydrophobicContact CB-CD2 4.34Å; A1683-L1699 HydrophobicContact CB-CD2 3.88Å; A1683-L1699 HydrophobicContact CB-CG 4.35Å
1684	I	74.5	Confident	71.9	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-76.3	-54.2	174.6	-63.2	159.6	0	0	0	110.2	I1680 Y1681 L1682 N1686 N1687 L1695 L1725 F1728 L1733 I1734	I1680-I1684 HydrophobicContact CG2-CD1 3.95Å; I1680-I1684 WeakPolarHBondContact O-CD1 3.46Å; I1680-I1684 VanDerWaalsContact O-CG1 3.29Å; I1680-I1684 WeakPolarHBondContact O-CG1 3.3Å; I1680-I1684 PolarHBondContact O-N 3.24Å; Y1681-I1684 PolarHBondContact O-N 2.88Å; Y1681-I1684 VanDerWaalsContact O-N 3.12Å; L1682-I1684 VanDerWaalsContact C-N 3.32Å; I1684-N1686 VanDerWaalsContact C-N 3.33Å; I1684-N1686 PolarHBondContact O-N 2.98Å; I1684-N1687 CarbonylContact O-C 3.58Å; I1684-N1687 VanDerWaalsContact O-C 3.29Å; I1684-N1687 PolarHBondContact O-N 2.79Å; I1684-L1695 HydrophobicContact CG1-CD1 4.03Å; I1684-L1695 HydrophobicContact CG1-CD2 4.06Å; I1684-L1725 HydrophobicContact CD1-CD2 4.23Å; I1684-F1728 HydrophobicContact CD1-CB 3.59Å; I1684-F1728 HydrophobicContact CD1-CD1 4.38Å; I1684-F1728 HydrophobicContact CD1-CD2 3.48Å; I1684-F1728 VanDerWaalsContact CD1-CD2 3.48Å; I1684-F1728 HydrophobicContact CD1-CE2 4.25Å; I1684-F1728 HydrophobicContact CD1-CG 3.58Å; I1684-L1733 HydrophobicContact CG2-CB 4.15Å; I1684-L1733 WeakPolarHBondContact CG2-O 3.36Å; I1684-I1734 HydrophobicContact CD1-CD1 3.92Å; I1684-I1734 HydrophobicContact CD1-CG1 4.04Å; I1684-I1734 HydrophobicContact CG1-CD1 4.23Å; I1684-I1734 HydrophobicContact CG1-CG1 4.15Å; I1684-I1734 HydrophobicContact CG2-CG1 4.22Å
1685	V	65.1	Low	72.6	Confident	48 Å²	48	54.9 Å²	54.9	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-38.3	-177.9	172.7	0	0	0	0	112.5	Y1681 N1687	Y1681-V1685 HydrophobicContact CD1-CG2 4.21Å; Y1681-V1685 HydrophobicContact CD2-CG2 4.19Å; Y1681-V1685 HydrophobicContact CE1-CG2 3.86Å; Y1681-V1685 HydrophobicContact CE2-CG2 3.84Å; Y1681-V1685 HydrophobicContact CG-CG2 4.37Å; Y1681-V1685 WeakPolarHBondContact O-CG2 3.46Å; Y1681-V1685 PolarHBondContact O-N 3.16Å; V1685-N1687 PolarHBondContact O-N 3.01Å
1686	N	72.2	Confident	73.1	Confident	114 Å²	114	52 Å²	52	61%	0.61	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.3	175.9	-73.1	-79.5	0	0	0	113.9	L1682 I1684	L1682-N1686 VanDerWaalsContact O-CB 3.24Å; L1682-N1686 WeakPolarHBondContact O-CB 3.44Å; L1682-N1686 PolarHBondContact O-N 3.37Å; L1682-N1686 PolarHBondContact O-ND2 3.44Å; I1684-N1686 VanDerWaalsContact C-N 3.33Å; I1684-N1686 PolarHBondContact O-N 2.98Å
1687	N	68	Low	73.2	Confident	32 Å²	32	57.7 Å²	57.7	17%	0.171	32%	0.318	C	S	.	.	S	Bend	trans	-144.7	54.9	-176	-54.5	-89.7	0	0	0	113.7	A1683 I1684 V1685 G1689 I1690 R1698	A1683-N1687 WeakPolarHBondContact O-CB 3.44Å; A1683-N1687 PolarHBondContact O-ND2 2.85Å; I1684-N1687 CarbonylContact O-C 3.58Å; I1684-N1687 VanDerWaalsContact O-C 3.29Å; I1684-N1687 PolarHBondContact O-N 2.79Å; V1685-N1687 PolarHBondContact O-N 3.01Å; N1687-G1689 PolarHBondContact O-N 2.85Å; N1687-I1690 HydrophobicContact CB-CB 4.5Å; N1687-I1690 HydrophobicContact CB-CD1 3.6Å; N1687-I1690 HydrophobicContact CB-CG1 3.93Å; N1687-I1690 PolarHBondContact O-N 3.29Å; N1687-R1698 PolarHBondContact ND2-NH2 3.44Å; N1687-R1698 VanDerWaalsContact OD1-CZ 3.23Å; N1687-R1698 PolarHBondContact OD1-NH1 3.38Å; N1687-R1698 PolarHBondContact OD1-NH2 3.19Å; N1687-R1698 VanDerWaalsContact OD1-NH2 3.09Å
1688	P	50.8	Low	73.4	Confident	76 Å²	76	62.3 Å²	62.3	49%	0.494	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	135	175.4	26.4	-34.8	0	0	0	110.7
1689	G	57.2	Low	74	Confident	58 Å²	58	56.2 Å²	56.2	60%	0.598	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-2.1	-179.5	0	0	0	0	0	116.4	N1687	N1687-G1689 PolarHBondContact O-N 2.85Å
1690	I	69.4	Low	74.2	Confident	48 Å²	48	57 Å²	57	25%	0.246	31%	0.308	C	S	.	.			trans	-73.7	126.9	167.4	-65.6	-166.3	0	0	0	109.6	N1687 A1694 L1695	N1687-I1690 HydrophobicContact CB-CB 4.5Å; N1687-I1690 HydrophobicContact CB-CD1 3.6Å; N1687-I1690 HydrophobicContact CB-CG1 3.93Å; N1687-I1690 PolarHBondContact O-N 3.29Å; I1690-A1694 HydrophobicContact CG2-CB 3.44Å; I1690-A1694 VanDerWaalsContact CG2-CB 3.44Å; I1690-L1695 HydrophobicContact CB-CG 4.34Å; I1690-L1695 HydrophobicContact CG2-CB 4.45Å; I1690-L1695 HydrophobicContact CG2-CG 3.96Å
1691	S	68.8	Low	74.4	Confident	49 Å²	49	67.2 Å²	67.2	34%	0.343	35%	0.347	S	S	.	.			trans	-63.2	153.7	178.1	66.1	0	0	0	0	112.2	Q1693 A1694 L1695	S1691-Q1693 VanDerWaalsContact C-N 3.28Å; S1691-Q1693 PolarHBondContact O-N 2.94Å; S1691-Q1693 VanDerWaalsContact O-N 3.16Å; S1691-A1694 PolarHBondContact O-N 3.2Å; S1691-L1695 PolarHBondContact O-N 3.25Å
1692	R	74.5	Confident	74.9	Confident	54 Å²	54	66.5 Å²	66.5	20%	0.204	35%	0.349	C	S	.	.	H	α-helix	trans	-49	-47.3	-178.2	179.2	-175.9	165.6	130.3	14	113.1	A1694 L1695 E1696 I1734 D1736	R1692-A1694 VanDerWaalsContact C-N 3.3Å; R1692-A1694 PolarHBondContact O-N 3.1Å; R1692-L1695 WeakPolarHBondContact O-CB 3.31Å; R1692-L1695 PolarHBondContact O-N 3.34Å; R1692-E1696 HydrophobicContact CG-CG 4.44Å; R1692-E1696 IonicContact CZ-OE1 2.82Å; R1692-E1696 IonicContact NE-OE1 2.8Å; R1692-E1696 PolarHBondContact NE-OE1 3.21Å; R1692-E1696 IonicContact NH2-OE1 3.27Å; R1692-E1696 PolarHBondContact NH2-OE1 3.32Å; R1692-E1696 WeakPolarHBondContact O-CB 3.42Å; R1692-E1696 WeakPolarHBondContact O-CG 3.48Å; R1692-E1696 PolarHBondContact O-N 3.45Å; R1692-I1734 HydrophobicContact CB-CG2 4.06Å; R1692-D1736 WeakPolarHBondContact CB-OD1 3.22Å; R1692-D1736 PolarHBondContact N-OD1 3.39Å
1693	Q	75	Confident	75.4	Confident	141 Å²	141	62.1 Å²	62.1	66%	0.659	33%	0.326	S	S	*	.	H	α-helix	trans	-61.8	-34	179	-67	-179.2	-11.7	0	0	113.2	S1691 N1697	S1691-Q1693 VanDerWaalsContact C-N 3.28Å; S1691-Q1693 PolarHBondContact O-N 2.94Å; S1691-Q1693 VanDerWaalsContact O-N 3.16Å; Q1693-N1697 WeakPolarHBondContact O-CB 3.14Å; Q1693-N1697 PolarHBondContact O-N 3.43Å; Q1693-N1697 PolarHBondContact O-ND2 3.31Å
1694	A	76.9	Confident	75.6	Confident	42 Å²	42	66.8 Å²	66.8	35%	0.347	34%	0.344	S	S	.	.	H	α-helix	trans	-79.3	-30	177.9	0	0	0	0	0	112.1	I1690 S1691 R1692 R1698	I1690-A1694 HydrophobicContact CG2-CB 3.44Å; I1690-A1694 VanDerWaalsContact CG2-CB 3.44Å; S1691-A1694 PolarHBondContact O-N 3.2Å; R1692-A1694 VanDerWaalsContact C-N 3.3Å; R1692-A1694 PolarHBondContact O-N 3.1Å; A1694-R1698 WeakPolarHBondContact O-CB 3.45Å; A1694-R1698 PolarHBondContact O-N 3.28Å; A1694-R1698 VanDerWaalsContact O-N 3.09Å
1695	L	81.3	Confident	75.9	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-66.8	-46.8	168	-97.5	162.4	0	0	0	111.9	A1683 I1684 I1690 S1691 R1692 N1697 R1698 L1699 L1725 I1734	A1683-L1695 HydrophobicContact CB-CD2 4.34Å; I1684-L1695 HydrophobicContact CG1-CD1 4.03Å; I1684-L1695 HydrophobicContact CG1-CD2 4.06Å; I1690-L1695 HydrophobicContact CB-CG 4.34Å; I1690-L1695 HydrophobicContact CG2-CB 4.45Å; I1690-L1695 HydrophobicContact CG2-CG 3.96Å; S1691-L1695 PolarHBondContact O-N 3.25Å; R1692-L1695 WeakPolarHBondContact O-CB 3.31Å; R1692-L1695 PolarHBondContact O-N 3.34Å; L1695-N1697 PolarHBondContact O-N 3.49Å; L1695-R1698 PolarHBondContact O-N 3.04Å; L1695-R1698 VanDerWaalsContact O-N 3.15Å; L1695-L1699 HydrophobicContact CD2-CD1 4.46Å; L1695-L1699 PolarHBondContact O-N 3.14Å; L1695-L1725 HydrophobicContact CB-CD2 4.42Å; L1695-I1734 HydrophobicContact CD1-CD1 4.14Å; L1695-I1734 HydrophobicContact CD1-CG1 4.11Å; L1695-I1734 HydrophobicContact CD1-CG2 4.08Å
1696	E	83.8	Confident	76.7	Confident	33 Å²	33	71.6 Å²	71.6	15%	0.154	37%	0.368	C	S	.	.	H	α-helix	trans	-54	-53.5	173.2	-75	172.7	175.5	0	0	110.5	R1692 R1698 L1699 F1700 L1722 L1725	R1692-E1696 HydrophobicContact CG-CG 4.44Å; R1692-E1696 IonicContact CZ-OE1 2.82Å; R1692-E1696 IonicContact NE-OE1 2.8Å; R1692-E1696 PolarHBondContact NE-OE1 3.21Å; R1692-E1696 IonicContact NH2-OE1 3.27Å; R1692-E1696 PolarHBondContact NH2-OE1 3.32Å; R1692-E1696 WeakPolarHBondContact O-CB 3.42Å; R1692-E1696 WeakPolarHBondContact O-CG 3.48Å; R1692-E1696 PolarHBondContact O-N 3.45Å; E1696-R1698 VanDerWaalsContact C-N 3.27Å; E1696-R1698 PolarHBondContact O-N 3.08Å; E1696-L1699 PolarHBondContact O-N 3.19Å; E1696-F1700 HydrophobicContact CB-CD2 4.29Å; E1696-F1700 HydrophobicContact CB-CE2 3.87Å; E1696-F1700 HydrophobicContact CB-CZ 4.43Å; E1696-F1700 HydrophobicContact CG-CE2 4.47Å; E1696-F1700 WeakPolarHBondContact O-CB 3.45Å; E1696-F1700 WeakPolarHBondContact O-CD2 3.47Å; E1696-F1700 WeakPolarHBondContact O-CG 3.43Å; E1696-F1700 PolarHBondContact O-N 2.86Å; E1696-L1722 HydrophobicContact CG-CD2 4.25Å; E1696-L1725 HydrophobicContact CB-CD1 4.33Å; E1696-L1725 HydrophobicContact CG-CD1 3.52Å
1697	N	82.8	Confident	77	Confident	118 Å²	118	66.3 Å²	66.3	63%	0.631	34%	0.34	S	S	*	.	H	α-helix	trans	-58.4	-34.1	176.8	-81.1	-54.4	0	0	0	113.8	Q1693 L1695	Q1693-N1697 WeakPolarHBondContact O-CB 3.14Å; Q1693-N1697 PolarHBondContact O-N 3.43Å; Q1693-N1697 PolarHBondContact O-ND2 3.31Å; L1695-N1697 PolarHBondContact O-N 3.49Å
1698	R	82.1	Confident	77.3	Confident	122 Å²	122	69.5 Å²	69.5	46%	0.46	37%	0.365	S	S	.	.	H	α-helix	trans	-74.9	-41.8	178.9	-172.7	172.2	-177.3	164.5	-11	112.2	N1687 A1694 L1695 E1696 R1701	N1687-R1698 PolarHBondContact ND2-NH2 3.44Å; N1687-R1698 VanDerWaalsContact OD1-CZ 3.23Å; N1687-R1698 PolarHBondContact OD1-NH1 3.38Å; N1687-R1698 PolarHBondContact OD1-NH2 3.19Å; N1687-R1698 VanDerWaalsContact OD1-NH2 3.09Å; A1694-R1698 WeakPolarHBondContact O-CB 3.45Å; A1694-R1698 PolarHBondContact O-N 3.28Å; A1694-R1698 VanDerWaalsContact O-N 3.09Å; L1695-R1698 PolarHBondContact O-N 3.04Å; L1695-R1698 VanDerWaalsContact O-N 3.15Å; E1696-R1698 VanDerWaalsContact C-N 3.27Å; E1696-R1698 PolarHBondContact O-N 3.08Å; R1698-R1701 WeakPolarHBondContact O-CB 2.97Å
1699	L	84.9	Confident	78.6	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-71.9	-39.8	179.6	-75.9	160.5	0	0	0	111.9	R1679 I1680 A1683 L1695 E1696 R1701 I1721 L1725	R1679-L1699 HydrophobicContact CG-CD2 4.02Å; R1679-L1699 PolarHBondContact NH1-O 3.07Å; R1679-L1699 VanDerWaalsContact NH1-O 3.11Å; R1679-L1699 PolarHBondContact NH2-O 3.47Å; I1680-L1699 HydrophobicContact CB-CD1 4.45Å; I1680-L1699 HydrophobicContact CG1-CD1 4.12Å; I1680-L1699 HydrophobicContact CG1-CD2 4.01Å; I1680-L1699 HydrophobicContact CG2-CD1 4.04Å; A1683-L1699 HydrophobicContact CB-CD2 3.88Å; A1683-L1699 HydrophobicContact CB-CG 4.35Å; L1695-L1699 HydrophobicContact CD2-CD1 4.46Å; L1695-L1699 PolarHBondContact O-N 3.14Å; E1696-L1699 PolarHBondContact O-N 3.19Å; L1699-R1701 PolarHBondContact O-N 3.24Å; L1699-I1721 HydrophobicContact CB-CG2 4Å; L1699-I1721 HydrophobicContact CD1-CG2 4.33Å; L1699-L1725 HydrophobicContact CD1-CD1 3.83Å; L1699-L1725 HydrophobicContact CD1-CD2 3.74Å; L1699-L1725 HydrophobicContact CD1-CG 4.06Å
1700	F	88.9	Confident	79.4	Confident	53 Å²	53	71 Å²	71	23%	0.232	35%	0.348	C	S	.	.	H	α-helix	trans	-65.9	-18.6	176.8	-65.4	-28.3	0	0	0	114.6	E1696 D1702 V1703 R1718 I1721 L1722	E1696-F1700 HydrophobicContact CB-CD2 4.29Å; E1696-F1700 HydrophobicContact CB-CE2 3.87Å; E1696-F1700 HydrophobicContact CB-CZ 4.43Å; E1696-F1700 HydrophobicContact CG-CE2 4.47Å; E1696-F1700 WeakPolarHBondContact O-CB 3.45Å; E1696-F1700 WeakPolarHBondContact O-CD2 3.47Å; E1696-F1700 WeakPolarHBondContact O-CG 3.43Å; E1696-F1700 PolarHBondContact O-N 2.86Å; F1700-D1702 PolarHBondContact O-N 3.06Å; F1700-V1703 HydrophobicContact CD1-CG2 4.17Å; F1700-V1703 WeakPolarHBondContact O-CB 3.06Å; F1700-V1703 PolarHBondContact O-N 3.5Å; F1700-R1718 HydrophobicContact CD1-CG 4.21Å; F1700-R1718 HydrophobicContact CE1-CB 4.31Å; F1700-R1718 HydrophobicContact CE1-CG 4.05Å; F1700-I1721 HydrophobicContact CD1-CD1 4.3Å; F1700-I1721 HydrophobicContact CD1-CG2 4.04Å; F1700-I1721 HydrophobicContact CE1-CB 4.01Å; F1700-I1721 HydrophobicContact CE1-CG2 3.58Å; F1700-I1721 HydrophobicContact CZ-CG2 4.38Å; F1700-L1722 HydrophobicContact CE1-CG 4.48Å; F1700-L1722 HydrophobicContact CZ-CD1 4.34Å; F1700-L1722 HydrophobicContact CZ-CD2 3.86Å; F1700-L1722 HydrophobicContact CZ-CG 3.87Å
1701	R	84	Confident	79.5	Confident	216 Å²	216	77.3 Å²	77.3	82%	0.815	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.1	-177.4	-150	177.9	-161.5	-177.8	5.8	113.4	R1698 L1699	R1698-R1701 WeakPolarHBondContact O-CB 2.97Å; L1699-R1701 PolarHBondContact O-N 3.24Å
1702	D	81.4	Confident	79.6	Confident	72 Å²	72	76.1 Å²	76.1	39%	0.385	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-0.2	-176.6	-47.7	-31	0	0	0	113.3	R1679 F1700 H1704 V1705 R1706	R1679-D1702 IonicContact CZ-OD2 3.18Å; R1679-D1702 IonicContact NE-OD2 3.59Å; R1679-D1702 IonicContact NH2-OD2 3.56Å; R1679-D1702 PolarHBondContact NH2-OD2 2.96Å; F1700-D1702 PolarHBondContact O-N 3.06Å; D1702-H1704 VanDerWaalsContact C-N 3.32Å; D1702-H1704 PolarHBondContact O-N 3.13Å; D1702-V1705 PolarHBondContact O-N 3.26Å; D1702-R1706 HydrophobicContact CB-CG 4.41Å; D1702-R1706 PolarHBondContact O-N 3.39Å
1703	V	84.7	Confident	79.8	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-59.8	-36.5	-166.9	152.7	0	0	0	0	113.7	F1700 V1705 R1706 A1707 V1714 L1717 R1718 I1721	F1700-V1703 HydrophobicContact CD1-CG2 4.17Å; F1700-V1703 WeakPolarHBondContact O-CB 3.06Å; F1700-V1703 PolarHBondContact O-N 3.5Å; V1703-V1705 VanDerWaalsContact C-N 3.3Å; V1703-V1705 PolarHBondContact O-N 3.38Å; V1703-R1706 PolarHBondContact O-N 3.29Å; V1703-A1707 VanDerWaalsContact O-CB 3.26Å; V1703-A1707 WeakPolarHBondContact O-CB 3.11Å; V1703-A1707 PolarHBondContact O-N 2.92Å; V1703-V1714 HydrophobicContact CG1-CB 4.5Å; V1703-V1714 HydrophobicContact CG1-CG1 3.88Å; V1703-V1714 HydrophobicContact CG1-CG2 4.48Å; V1703-L1717 HydrophobicContact CB-CD2 4.34Å; V1703-L1717 HydrophobicContact CG1-CD2 4.15Å; V1703-L1717 HydrophobicContact CG1-CG 4.41Å; V1703-L1717 HydrophobicContact CG2-CD2 4.07Å; V1703-L1717 HydrophobicContact CG2-CG 4.14Å; V1703-R1718 HydrophobicContact CG1-CG 4.13Å; V1703-I1721 HydrophobicContact CG2-CD1 3.42Å; V1703-I1721 VanDerWaalsContact CG2-CD1 3.42Å
1704	H	80.5	Confident	79.8	Confident	116 Å²	116	71.7 Å²	71.7	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-34	178.2	-61.7	95.5	0	0	0	112.3	D1702 S1708	D1702-H1704 VanDerWaalsContact C-N 3.32Å; D1702-H1704 PolarHBondContact O-N 3.13Å; H1704-S1708 PolarHBondContact O-OG 2.84Å
1705	V	80.8	Confident	79.8	Confident	103 Å²	103	76.1 Å²	76.1	62%	0.624	37%	0.369	S	S	*	.	H	α-helix	trans	-73.7	-43.4	175.4	-176	0	0	0	0	110.1	D1702 V1703 S1708 Q1709	D1702-V1705 PolarHBondContact O-N 3.26Å; V1703-V1705 VanDerWaalsContact C-N 3.3Å; V1703-V1705 PolarHBondContact O-N 3.38Å; V1705-S1708 PolarHBondContact O-N 3.38Å; V1705-Q1709 WeakPolarHBondContact O-CB 3.41Å; V1705-Q1709 PolarHBondContact O-N 2.89Å
1706	R	81.6	Confident	79.5	Confident	53 Å²	53	80.8 Å²	80.8	20%	0.2	39%	0.39	C	S	.	.	H	α-helix	trans	-70.1	-38.5	-177.4	-75.8	178.1	169.5	-88.6	-20.1	113.7	E1676 D1702 V1703 S1708 Q1709 Y1710 L1717	E1676-R1706 IonicContact OE2-CZ 3.05Å; E1676-R1706 IonicContact OE2-NE 3.17Å; E1676-R1706 IonicContact OE2-NH1 2.76Å; E1676-R1706 PolarHBondContact OE2-NH1 2.85Å; D1702-R1706 HydrophobicContact CB-CG 4.41Å; D1702-R1706 PolarHBondContact O-N 3.39Å; V1703-R1706 PolarHBondContact O-N 3.29Å; R1706-S1708 VanDerWaalsContact C-N 3.33Å; R1706-S1708 PolarHBondContact O-N 3.08Å; R1706-Q1709 PolarHBondContact O-N 3.45Å; R1706-Q1709 VanDerWaalsContact O-N 3.12Å; R1706-Y1710 HydrophobicContact CB-CD2 4.11Å; R1706-Y1710 HydrophobicContact CB-CE2 3.97Å; R1706-Y1710 HydrophobicContact CG-CE2 4.32Å; R1706-Y1710 PolarHBondContact NH1-OH 3.5Å; R1706-Y1710 WeakPolarHBondContact O-CB 3.43Å; R1706-Y1710 WeakPolarHBondContact O-CD2 3.42Å; R1706-Y1710 PolarHBondContact O-N 2.88Å; R1706-L1717 HydrophobicContact CB-CD2 3.64Å
1707	A	79	Confident	79.5	Confident	3 Å²	3	79.2 Å²	79.2	3%	0.025	38%	0.383	C	S	.	.	H	α-helix	trans	-57.8	-47	174.3	0	0	0	0	0	111	V1703 Q1709 Y1710 Q1711 I1712 V1714 L1717	V1703-A1707 VanDerWaalsContact O-CB 3.26Å; V1703-A1707 WeakPolarHBondContact O-CB 3.11Å; V1703-A1707 PolarHBondContact O-N 2.92Å; A1707-Q1709 PolarHBondContact O-N 2.87Å; A1707-Y1710 PolarHBondContact O-N 2.93Å; A1707-Q1711 PolarHBondContact O-N 3.23Å; A1707-I1712 CarbonylContact C-O 3.53Å; A1707-I1712 WeakPolarHBondContact CB-O 3.47Å; A1707-I1712 PolarHBondContact O-N 3.2Å; A1707-I1712 VanDerWaalsContact O-N 3.13Å; A1707-V1714 HydrophobicContact CB-CG2 3.7Å; A1707-L1717 HydrophobicContact CB-CD2 4.12Å
1708	S	74.7	Confident	79.6	Confident	98 Å²	98	78.6 Å²	78.6	69%	0.685	37%	0.372	S	S	*	.	H	α-helix	trans	-64.6	-35.2	173.5	-56.5	0	0	0	0	113.6	H1704 V1705 R1706	H1704-S1708 PolarHBondContact O-OG 2.84Å; V1705-S1708 PolarHBondContact O-N 3.38Å; R1706-S1708 VanDerWaalsContact C-N 3.33Å; R1706-S1708 PolarHBondContact O-N 3.08Å
1709	Q	77.9	Confident	79.5	Confident	133 Å²	133	79.4 Å²	79.4	62%	0.621	38%	0.381	S	S	*	.	H	α-helix	trans	-71.4	-33.2	177.4	-171.5	176.4	3.6	0	0	112.9	V1705 R1706 A1707	V1705-Q1709 WeakPolarHBondContact O-CB 3.41Å; V1705-Q1709 PolarHBondContact O-N 2.89Å; R1706-Q1709 PolarHBondContact O-N 3.45Å; R1706-Q1709 VanDerWaalsContact O-N 3.12Å; A1707-Q1709 PolarHBondContact O-N 2.87Å
1710	Y	75.4	Confident	79.5	Confident	32 Å²	32	80.2 Å²	80.2	13%	0.125	38%	0.384	C	S	.	.	H	α-helix	trans	-94.1	-4.2	-179.7	-64.1	-43.4	0	0	0	114.3	W1672 I1675 E1676 R1706 A1707 I1712	W1672-Y1710 HydrophobicContact CB-CD1 3.54Å; W1672-Y1710 HydrophobicContact CB-CD2 4.32Å; W1672-Y1710 HydrophobicContact CB-CE1 4.09Å; W1672-Y1710 HydrophobicContact CB-CG 3.67Å; W1672-Y1710 HydrophobicContact CG-CG 4.41Å; I1675-Y1710 HydrophobicContact CB-CE1 4.4Å; I1675-Y1710 HydrophobicContact CG2-CE1 4.27Å; I1675-Y1710 VanDerWaalsContact CG2-OH 3.25Å; I1675-Y1710 WeakPolarHBondContact CG2-OH 3.48Å; E1676-Y1710 HydrophobicContact CB-CE2 4.23Å; E1676-Y1710 WeakPolarHBondContact OE2-CE2 3.32Å; E1676-Y1710 PolarHBondContact OE2-OH 3.26Å; R1706-Y1710 HydrophobicContact CB-CD2 4.11Å; R1706-Y1710 HydrophobicContact CB-CE2 3.97Å; R1706-Y1710 HydrophobicContact CG-CE2 4.32Å; R1706-Y1710 PolarHBondContact NH1-OH 3.5Å; R1706-Y1710 WeakPolarHBondContact O-CB 3.43Å; R1706-Y1710 WeakPolarHBondContact O-CD2 3.42Å; R1706-Y1710 PolarHBondContact O-N 2.88Å; A1707-Y1710 PolarHBondContact O-N 2.93Å; Y1710-I1712 VanDerWaalsContact C-N 3.32Å; Y1710-I1712 HydrophobicContact CD2-CD1 4.29Å; Y1710-I1712 PolarHBondContact O-N 3.33Å
1711	Q	69.6	Low	79.3	Confident	181 Å²	181	77.7 Å²	77.7	85%	0.846	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	35.9	-178.8	-52.9	-178.3	-0.8	0	0	113.7	A1707	A1707-Q1711 PolarHBondContact O-N 3.23Å
1712	I	71.4	Confident	79.4	Confident	24 Å²	24	70.7 Å²	70.7	12%	0.123	35%	0.352	C	S	.	.	S	Bend	trans	-122.7	165.6	179	61.7	-173.1	0	0	0	110.9	W1672 A1707 Y1710 L1717	W1672-I1712 HydrophobicContact CD2-CD1 3.68Å; W1672-I1712 HydrophobicContact CD2-CG2 4.37Å; W1672-I1712 HydrophobicContact CE3-CD1 3.57Å; W1672-I1712 HydrophobicContact CG-CD1 4.43Å; W1672-I1712 HydrophobicContact CH2-CD1 3.69Å; W1672-I1712 HydrophobicContact CZ2-CD1 3.79Å; W1672-I1712 HydrophobicContact CZ2-CG2 4.07Å; W1672-I1712 HydrophobicContact CZ3-CD1 3.58Å; A1707-I1712 CarbonylContact C-O 3.53Å; A1707-I1712 WeakPolarHBondContact CB-O 3.47Å; A1707-I1712 PolarHBondContact O-N 3.2Å; A1707-I1712 VanDerWaalsContact O-N 3.13Å; Y1710-I1712 VanDerWaalsContact C-N 3.32Å; Y1710-I1712 HydrophobicContact CD2-CD1 4.29Å; Y1710-I1712 PolarHBondContact O-N 3.33Å; I1712-L1717 HydrophobicContact CD1-CB 3.81Å; I1712-L1717 HydrophobicContact CD1-CD1 4.11Å; I1712-L1717 HydrophobicContact CD1-CD2 4.48Å; I1712-L1717 HydrophobicContact CD1-CG 4.33Å; I1712-L1717 HydrophobicContact CG1-CB 4.31Å
1713	T	78.5	Confident	79.3	Confident	65 Å²	65	70.2 Å²	70.2	40%	0.399	35%	0.354	S	S	.	.			trans	-71.7	156	173.6	67.3	0	0	0	0	112	E1715 E1716 L1717	T1713-E1715 PolarHBondContact O-N 3.03Å; T1713-E1716 VanDerWaalsContact CB-OE2 3.25Å; T1713-E1716 WeakPolarHBondContact CB-OE2 3.47Å; T1713-E1716 WeakPolarHBondContact CG2-OE2 3.49Å; T1713-E1716 PolarHBondContact N-OE2 3.46Å; T1713-E1716 PolarHBondContact O-N 2.71Å; T1713-E1716 WeakPolarHBondContact OG1-CB 3.34Å; T1713-E1716 VanDerWaalsContact OG1-CD 3.23Å; T1713-E1716 WeakPolarHBondContact OG1-CG 3.39Å; T1713-E1716 PolarHBondContact OG1-N 2.95Å; T1713-E1716 PolarHBondContact OG1-OE2 3.13Å; T1713-L1717 PolarHBondContact O-N 3.35Å; T1713-L1717 VanDerWaalsContact O-N 3.16Å
1714	V	76.3	Confident	79.1	Confident	37 Å²	37	71.4 Å²	71.4	22%	0.224	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-28.3	171.7	165.3	0	0	0	0	111.5	V1703 A1707 R1718	V1703-V1714 HydrophobicContact CG1-CB 4.5Å; V1703-V1714 HydrophobicContact CG1-CG1 3.88Å; V1703-V1714 HydrophobicContact CG1-CG2 4.48Å; A1707-V1714 HydrophobicContact CB-CG2 3.7Å; V1714-R1718 WeakPolarHBondContact O-CB 3.15Å; V1714-R1718 WeakPolarHBondContact O-CD 3.23Å; V1714-R1718 WeakPolarHBondContact O-CG 3.45Å; V1714-R1718 PolarHBondContact O-N 3.43Å; V1714-R1718 VanDerWaalsContact O-N 3.1Å
1715	E	76.4	Confident	79.2	Confident	136 Å²	136	65.9 Å²	65.9	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-75.1	-46	177.9	-78.5	126.4	-155.1	0	0	112.5	T1713 L1717 R1718 Q1719	T1713-E1715 PolarHBondContact O-N 3.03Å; E1715-L1717 VanDerWaalsContact C-N 3.35Å; E1715-L1717 PolarHBondContact O-N 2.91Å; E1715-R1718 PolarHBondContact O-N 2.96Å; E1715-Q1719 WeakPolarHBondContact O-CG 3.36Å; E1715-Q1719 PolarHBondContact O-N 3.11Å
1716	E	73.6	Confident	78.9	Confident	99 Å²	99	68.5 Å²	68.5	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-58.8	-45.6	173.7	-71.8	158.8	132	0	0	111.3	T1713 R1718 Q1719 F1720	T1713-E1716 VanDerWaalsContact CB-OE2 3.25Å; T1713-E1716 WeakPolarHBondContact CB-OE2 3.47Å; T1713-E1716 WeakPolarHBondContact CG2-OE2 3.49Å; T1713-E1716 PolarHBondContact N-OE2 3.46Å; T1713-E1716 PolarHBondContact O-N 2.71Å; T1713-E1716 WeakPolarHBondContact OG1-CB 3.34Å; T1713-E1716 VanDerWaalsContact OG1-CD 3.23Å; T1713-E1716 WeakPolarHBondContact OG1-CG 3.39Å; T1713-E1716 PolarHBondContact OG1-N 2.95Å; T1713-E1716 PolarHBondContact OG1-OE2 3.13Å; E1716-R1718 VanDerWaalsContact C-N 3.33Å; E1716-R1718 PolarHBondContact O-N 2.84Å; E1716-Q1719 PolarHBondContact O-N 3.47Å; E1716-F1720 WeakPolarHBondContact O-CB 3.34Å; E1716-F1720 PolarHBondContact O-N 2.92Å
1717	L	84.1	Confident	78.3	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-36.7	177.9	-176.1	54.3	0	0	0	112.2	W1672 E1676 V1703 R1706 A1707 I1712 T1713 E1715 I1721	W1672-L1717 HydrophobicContact CE3-CD1 4.5Å; W1672-L1717 HydrophobicContact CZ3-CD1 4.04Å; E1676-L1717 HydrophobicContact CG-CD1 3.86Å; V1703-L1717 HydrophobicContact CB-CD2 4.34Å; V1703-L1717 HydrophobicContact CG1-CD2 4.15Å; V1703-L1717 HydrophobicContact CG1-CG 4.41Å; V1703-L1717 HydrophobicContact CG2-CD2 4.07Å; V1703-L1717 HydrophobicContact CG2-CG 4.14Å; R1706-L1717 HydrophobicContact CB-CD2 3.64Å; A1707-L1717 HydrophobicContact CB-CD2 4.12Å; I1712-L1717 HydrophobicContact CD1-CB 3.81Å; I1712-L1717 HydrophobicContact CD1-CD1 4.11Å; I1712-L1717 HydrophobicContact CD1-CD2 4.48Å; I1712-L1717 HydrophobicContact CD1-CG 4.33Å; I1712-L1717 HydrophobicContact CG1-CB 4.31Å; T1713-L1717 PolarHBondContact O-N 3.35Å; T1713-L1717 VanDerWaalsContact O-N 3.16Å; E1715-L1717 VanDerWaalsContact C-N 3.35Å; E1715-L1717 PolarHBondContact O-N 2.91Å; L1717-I1721 HydrophobicContact CD1-CD1 4.04Å; L1717-I1721 HydrophobicContact CD1-CG1 4.32Å; L1717-I1721 HydrophobicContact CG-CD1 4.01Å; L1717-I1721 WeakPolarHBondContact O-CB 3.34Å; L1717-I1721 WeakPolarHBondContact O-CD1 3.49Å; L1717-I1721 VanDerWaalsContact O-CG1 3.26Å; L1717-I1721 WeakPolarHBondContact O-CG1 3.28Å; L1717-I1721 PolarHBondContact O-N 3.06Å
1718	R	85.3	Confident	77.9	Confident	105 Å²	105	72.2 Å²	72.2	40%	0.396	35%	0.347	S	S	.	.	H	α-helix	trans	-68.8	-42.8	174	-77.5	173.3	-173.1	-155	8	112.2	F1700 V1703 V1714 E1715 E1716 F1720 I1721 L1722	F1700-R1718 HydrophobicContact CD1-CG 4.21Å; F1700-R1718 HydrophobicContact CE1-CB 4.31Å; F1700-R1718 HydrophobicContact CE1-CG 4.05Å; V1703-R1718 HydrophobicContact CG1-CG 4.13Å; V1714-R1718 WeakPolarHBondContact O-CB 3.15Å; V1714-R1718 WeakPolarHBondContact O-CD 3.23Å; V1714-R1718 WeakPolarHBondContact O-CG 3.45Å; V1714-R1718 PolarHBondContact O-N 3.43Å; V1714-R1718 VanDerWaalsContact O-N 3.1Å; E1715-R1718 PolarHBondContact O-N 2.96Å; E1716-R1718 VanDerWaalsContact C-N 3.33Å; E1716-R1718 PolarHBondContact O-N 2.84Å; R1718-F1720 VanDerWaalsContact C-N 3.32Å; R1718-I1721 PolarHBondContact O-N 2.81Å; R1718-L1722 WeakPolarHBondContact O-CB 3.24Å; R1718-L1722 VanDerWaalsContact O-CG 3.32Å; R1718-L1722 WeakPolarHBondContact O-CG 3.33Å; R1718-L1722 PolarHBondContact O-N 2.83Å
1719	Q	79.8	Confident	77.6	Confident	139 Å²	139	68.9 Å²	68.9	65%	0.65	32%	0.323	S	S	*	.	H	α-helix	trans	-63.7	-40.1	176.4	-72.8	-174.9	14.5	0	0	111.1	E1715 E1716 L1722 S1723	E1715-Q1719 WeakPolarHBondContact O-CG 3.36Å; E1715-Q1719 PolarHBondContact O-N 3.11Å; E1716-Q1719 PolarHBondContact O-N 3.47Å; Q1719-L1722 PolarHBondContact O-N 3.17Å; Q1719-S1723 WeakPolarHBondContact O-CB 3.39Å; Q1719-S1723 PolarHBondContact O-N 3.21Å; Q1719-S1723 PolarHBondContact O-OG 3.4Å
1720	F	85	Confident	76.7	Confident	20 Å²	20	67.3 Å²	67.3	9%	0.088	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-46.3	174.1	-171.4	-94.2	0	0	0	112.5	W1672 Q1673 E1676 S1677 I1680 E1716 R1718 L1722 S1723 Q1724	W1672-F1720 HydrophobicContact CH2-CB 3.85Å; W1672-F1720 HydrophobicContact CH2-CD1 4.41Å; W1672-F1720 HydrophobicContact CH2-CD2 4.01Å; W1672-F1720 AromaticContact CH2-CG 3.83Å; W1672-F1720 HydrophobicContact CH2-CG 3.83Å; W1672-F1720 HydrophobicContact CZ3-CB 3.95Å; W1672-F1720 AromaticContact CZ3-CD1 3.78Å; W1672-F1720 HydrophobicContact CZ3-CD1 3.78Å; W1672-F1720 HydrophobicContact CZ3-CD2 4.13Å; W1672-F1720 HydrophobicContact CZ3-CE1 4.33Å; W1672-F1720 AromaticContact CZ3-CG 3.67Å; W1672-F1720 HydrophobicContact CZ3-CG 3.67Å; Q1673-F1720 HydrophobicContact CB-CE1 4.36Å; Q1673-F1720 HydrophobicContact CB-CE2 3.61Å; Q1673-F1720 HydrophobicContact CB-CZ 3.51Å; Q1673-F1720 HydrophobicContact CG-CD2 4.1Å; Q1673-F1720 HydrophobicContact CG-CE2 3.6Å; Q1673-F1720 HydrophobicContact CG-CZ 3.97Å; Q1673-F1720 WeakPolarHBondContact O-CZ 3.42Å; E1676-F1720 HydrophobicContact CB-CD1 4.48Å; E1676-F1720 HydrophobicContact CB-CE1 4.19Å; E1676-F1720 HydrophobicContact CG-CD1 4.34Å; E1676-F1720 HydrophobicContact CG-CE1 4.44Å; S1677-F1720 VanDerWaalsContact OG-CZ 3.31Å; S1677-F1720 WeakPolarHBondContact OG-CZ 3.24Å; I1680-F1720 HydrophobicContact CD1-CD1 4.42Å; I1680-F1720 HydrophobicContact CD1-CE1 4.39Å; E1716-F1720 WeakPolarHBondContact O-CB 3.34Å; E1716-F1720 PolarHBondContact O-N 2.92Å; R1718-F1720 VanDerWaalsContact C-N 3.32Å; F1720-L1722 VanDerWaalsContact C-N 3.31Å; F1720-L1722 PolarHBondContact O-N 2.86Å; F1720-S1723 PolarHBondContact O-N 3.49Å; F1720-S1723 PolarHBondContact O-OG 3.07Å; F1720-S1723 VanDerWaalsContact O-OG 3.09Å; F1720-Q1724 HydrophobicContact CD1-CG 4.05Å; F1720-Q1724 HydrophobicContact CE1-CG 3.64Å; F1720-Q1724 HydrophobicContact CE2-CG 4.18Å; F1720-Q1724 HydrophobicContact CG-CG 4.48Å; F1720-Q1724 HydrophobicContact CZ-CG 3.71Å; F1720-Q1724 VanDerWaalsContact CZ-NE2 3.33Å; F1720-Q1724 WeakPolarHBondContact O-CB 3.35Å; F1720-Q1724 WeakPolarHBondContact O-CG 3.43Å; F1720-Q1724 PolarHBondContact O-N 3.43Å
1721	I	85.5	Confident	75.5	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-42.2	174.9	-72.4	163.9	0	0	0	110.7	E1676 I1680 L1699 F1700 V1703 L1717 R1718 L1725	E1676-I1721 HydrophobicContact CG-CG1 4.4Å; I1680-I1721 HydrophobicContact CD1-CB 4.41Å; I1680-I1721 HydrophobicContact CD1-CG1 3.96Å; L1699-I1721 HydrophobicContact CB-CG2 4Å; L1699-I1721 HydrophobicContact CD1-CG2 4.33Å; F1700-I1721 HydrophobicContact CD1-CD1 4.3Å; F1700-I1721 HydrophobicContact CD1-CG2 4.04Å; F1700-I1721 HydrophobicContact CE1-CB 4.01Å; F1700-I1721 HydrophobicContact CE1-CG2 3.58Å; F1700-I1721 HydrophobicContact CZ-CG2 4.38Å; V1703-I1721 HydrophobicContact CG2-CD1 3.42Å; V1703-I1721 VanDerWaalsContact CG2-CD1 3.42Å; L1717-I1721 HydrophobicContact CD1-CD1 4.04Å; L1717-I1721 HydrophobicContact CD1-CG1 4.32Å; L1717-I1721 HydrophobicContact CG-CD1 4.01Å; L1717-I1721 WeakPolarHBondContact O-CB 3.34Å; L1717-I1721 WeakPolarHBondContact O-CD1 3.49Å; L1717-I1721 VanDerWaalsContact O-CG1 3.26Å; L1717-I1721 WeakPolarHBondContact O-CG1 3.28Å; L1717-I1721 PolarHBondContact O-N 3.06Å; R1718-I1721 PolarHBondContact O-N 2.81Å; I1721-L1725 HydrophobicContact CG2-CD1 3.63Å; I1721-L1725 HydrophobicContact CG2-CG 4.28Å; I1721-L1725 WeakPolarHBondContact O-CB 3.29Å; I1721-L1725 WeakPolarHBondContact O-CG 3.39Å; I1721-L1725 PolarHBondContact O-N 2.85Å
1722	L	85.3	Confident	74.7	Confident	68 Å²	68	59 Å²	59	36%	0.356	29%	0.287	S	S	.	.	H	α-helix	trans	-68.9	-36.9	177.8	-74.7	170.2	0	0	0	113.3	E1696 F1700 R1718 Q1719 F1720 R1726	E1696-L1722 HydrophobicContact CG-CD2 4.25Å; F1700-L1722 HydrophobicContact CE1-CG 4.48Å; F1700-L1722 HydrophobicContact CZ-CD1 4.34Å; F1700-L1722 HydrophobicContact CZ-CD2 3.86Å; F1700-L1722 HydrophobicContact CZ-CG 3.87Å; R1718-L1722 WeakPolarHBondContact O-CB 3.24Å; R1718-L1722 VanDerWaalsContact O-CG 3.32Å; R1718-L1722 WeakPolarHBondContact O-CG 3.33Å; R1718-L1722 PolarHBondContact O-N 2.83Å; Q1719-L1722 PolarHBondContact O-N 3.17Å; F1720-L1722 VanDerWaalsContact C-N 3.31Å; F1720-L1722 PolarHBondContact O-N 2.86Å; L1722-R1726 VanDerWaalsContact O-CB 3.27Å; L1722-R1726 WeakPolarHBondContact O-CB 3.32Å; L1722-R1726 PolarHBondContact O-N 2.89Å
1723	S	79.3	Confident	74.2	Confident	62 Å²	62	59 Å²	59	43%	0.434	29%	0.287	S	S	.	.	H	α-helix	trans	-73.1	-40.9	178.5	67.8	0	0	0	0	111.6	Q1719 F1720 R1726 R1727	Q1719-S1723 WeakPolarHBondContact O-CB 3.39Å; Q1719-S1723 PolarHBondContact O-N 3.21Å; Q1719-S1723 PolarHBondContact O-OG 3.4Å; F1720-S1723 PolarHBondContact O-N 3.49Å; F1720-S1723 PolarHBondContact O-OG 3.07Å; F1720-S1723 VanDerWaalsContact O-OG 3.09Å; S1723-R1726 PolarHBondContact O-N 2.78Å; S1723-R1727 WeakPolarHBondContact O-CB 3.1Å; S1723-R1727 PolarHBondContact O-N 2.63Å
1724	Q	80.8	Confident	73.5	Confident	25 Å²	25	56.3 Å²	56.3	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-69.6	-41.6	173.4	-61.1	-58.6	-12.6	0	0	111.7	I1680 F1720 R1726 R1727 F1728	I1680-Q1724 HydrophobicContact CD1-CB 3.84Å; I1680-Q1724 HydrophobicContact CD1-CG 4.24Å; F1720-Q1724 HydrophobicContact CD1-CG 4.05Å; F1720-Q1724 HydrophobicContact CE1-CG 3.64Å; F1720-Q1724 HydrophobicContact CE2-CG 4.18Å; F1720-Q1724 HydrophobicContact CG-CG 4.48Å; F1720-Q1724 HydrophobicContact CZ-CG 3.71Å; F1720-Q1724 VanDerWaalsContact CZ-NE2 3.33Å; F1720-Q1724 WeakPolarHBondContact O-CB 3.35Å; F1720-Q1724 WeakPolarHBondContact O-CG 3.43Å; F1720-Q1724 PolarHBondContact O-N 3.43Å; Q1724-R1726 VanDerWaalsContact C-N 3.26Å; Q1724-R1726 PolarHBondContact O-N 3.03Å; Q1724-R1727 CarbonylContact O-C 3.52Å; Q1724-R1727 PolarHBondContact O-N 2.75Å; Q1724-F1728 HydrophobicContact CB-CD2 4.22Å; Q1724-F1728 HydrophobicContact CB-CE2 4Å; Q1724-F1728 WeakPolarHBondContact O-CB 3.26Å; Q1724-F1728 WeakPolarHBondContact O-CD2 3.34Å; Q1724-F1728 WeakPolarHBondContact O-CG 3.4Å; Q1724-F1728 PolarHBondContact O-N 3.01Å
1725	L	81.7	Confident	72.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-31.8	173.1	-74.6	172.4	0	0	0	112.4	I1680 I1684 L1695 E1696 L1699 I1721 S1729 I1734	I1680-L1725 HydrophobicContact CG2-CD2 3.84Å; I1680-L1725 HydrophobicContact CG2-CG 4.18Å; I1684-L1725 HydrophobicContact CD1-CD2 4.23Å; L1695-L1725 HydrophobicContact CB-CD2 4.42Å; E1696-L1725 HydrophobicContact CB-CD1 4.33Å; E1696-L1725 HydrophobicContact CG-CD1 3.52Å; L1699-L1725 HydrophobicContact CD1-CD1 3.83Å; L1699-L1725 HydrophobicContact CD1-CD2 3.74Å; L1699-L1725 HydrophobicContact CD1-CG 4.06Å; I1721-L1725 HydrophobicContact CG2-CD1 3.63Å; I1721-L1725 HydrophobicContact CG2-CG 4.28Å; I1721-L1725 WeakPolarHBondContact O-CB 3.29Å; I1721-L1725 WeakPolarHBondContact O-CG 3.39Å; I1721-L1725 PolarHBondContact O-N 2.85Å; L1725-S1729 VanDerWaalsContact O-CB 3.24Å; L1725-S1729 WeakPolarHBondContact O-CB 3.47Å; L1725-S1729 PolarHBondContact O-N 2.92Å; L1725-I1734 HydrophobicContact CB-CD1 4.43Å; L1725-I1734 HydrophobicContact CD2-CD1 3.6Å
1726	R	75.8	Confident	71.5	Confident	159 Å²	159	55.7 Å²	55.7	60%	0.6	27%	0.272	S	S	*	.	H	α-helix	trans	-65.7	-53.9	169.2	-160.4	-175.7	-165	157.6	4.8	110.2	L1722 S1723 Q1724 F1728 S1729 D1730	L1722-R1726 VanDerWaalsContact O-CB 3.27Å; L1722-R1726 WeakPolarHBondContact O-CB 3.32Å; L1722-R1726 PolarHBondContact O-N 2.89Å; S1723-R1726 PolarHBondContact O-N 2.78Å; Q1724-R1726 VanDerWaalsContact C-N 3.26Å; Q1724-R1726 PolarHBondContact O-N 3.03Å; R1726-F1728 VanDerWaalsContact C-N 3.3Å; R1726-F1728 PolarHBondContact O-N 3.12Å; R1726-S1729 CarbonylContact O-C 3.6Å; R1726-S1729 WeakPolarHBondContact O-CA 3.32Å; R1726-S1729 VanDerWaalsContact O-CB 3.31Å; R1726-S1729 WeakPolarHBondContact O-CB 3.29Å; R1726-S1729 PolarHBondContact O-N 2.99Å; R1726-D1730 PolarHBondContact O-N 2.79Å; R1726-D1730 VanDerWaalsContact O-OD2 3.09Å
1727	R	69.3	Low	70.4	Confident	117 Å²	117	57.1 Å²	57.1	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-53.6	-42	176.7	-172.9	-172.5	174	-168.4	0.4	112.9	S1723 Q1724 D1730 M1731 G1758	S1723-R1727 WeakPolarHBondContact O-CB 3.1Å; S1723-R1727 PolarHBondContact O-N 2.63Å; Q1724-R1727 CarbonylContact O-C 3.52Å; Q1724-R1727 PolarHBondContact O-N 2.75Å; R1727-D1730 PolarHBondContact O-N 3.39Å; R1727-M1731 HydrophobicContact CG-CE 4.03Å; R1727-M1731 HydrophobicContact CG-SD 4.19Å; R1727-M1731 WeakPolarHBondContact O-CB 3.42Å; R1727-M1731 VanDerWaalsContact O-CG 3.25Å; R1727-M1731 WeakPolarHBondContact O-CG 3.37Å; R1727-M1731 PolarHBondContact O-N 2.85Å; R1727-G1758 PolarHBondContact NH2-O 3.26Å
1728	F	70.5	Confident	68.7	Low	17 Å²	17	60.5 Å²	60.5	8%	0.075	32%	0.319	C	S	.	.	H	α-helix	trans	-72.6	-29.7	175.9	-68.1	-55.9	0	0	0	112.9	I1680 Y1681 I1684 Q1724 R1726 M1731 G1732 L1733 I1734	I1680-F1728 HydrophobicContact CB-CE2 4.03Å; I1680-F1728 HydrophobicContact CG2-CD2 3.58Å; I1680-F1728 HydrophobicContact CG2-CE2 3.5Å; Y1681-F1728 HydrophobicContact CD2-CE1 4.03Å; Y1681-F1728 HydrophobicContact CD2-CZ 4.4Å; I1684-F1728 HydrophobicContact CD1-CB 3.59Å; I1684-F1728 HydrophobicContact CD1-CD1 4.38Å; I1684-F1728 HydrophobicContact CD1-CD2 3.48Å; I1684-F1728 VanDerWaalsContact CD1-CD2 3.48Å; I1684-F1728 HydrophobicContact CD1-CE2 4.25Å; I1684-F1728 HydrophobicContact CD1-CG 3.58Å; Q1724-F1728 HydrophobicContact CB-CD2 4.22Å; Q1724-F1728 HydrophobicContact CB-CE2 4Å; Q1724-F1728 WeakPolarHBondContact O-CB 3.26Å; Q1724-F1728 WeakPolarHBondContact O-CD2 3.34Å; Q1724-F1728 WeakPolarHBondContact O-CG 3.4Å; Q1724-F1728 PolarHBondContact O-N 3.01Å; R1726-F1728 VanDerWaalsContact C-N 3.3Å; R1726-F1728 PolarHBondContact O-N 3.12Å; F1728-M1731 HydrophobicContact CD1-CE 3.46Å; F1728-M1731 VanDerWaalsContact CD1-CE 3.46Å; F1728-M1731 HydrophobicContact CE1-CE 3.81Å; F1728-M1731 HydrophobicContact CG-CE 4.43Å; F1728-M1731 CarbonylContact O-C 3.6Å; F1728-G1732 PolarHBondContact O-N 2.72Å; F1728-L1733 HydrophobicContact CB-CB 4.36Å; F1728-L1733 HydrophobicContact CD1-CD1 3.66Å; F1728-L1733 HydrophobicContact CE1-CD1 4.33Å; F1728-L1733 WeakPolarHBondContact O-CB 3.29Å; F1728-L1733 PolarHBondContact O-N 3.33Å; F1728-I1734 HydrophobicContact CB-CD1 4.1Å; F1728-I1734 HydrophobicContact CB-CG1 4.31Å; F1728-I1734 PolarHBondContact O-N 3.41Å
1729	S	67.9	Low	66.7	Low	28 Å²	28	65.8 Å²	65.8	20%	0.196	34%	0.338	C	S	.	.	H	α-helix	trans	-71.8	-35	169.4	-174.1	0	0	0	0	112.4	L1725 R1726 G1732	L1725-S1729 VanDerWaalsContact O-CB 3.24Å; L1725-S1729 WeakPolarHBondContact O-CB 3.47Å; L1725-S1729 PolarHBondContact O-N 2.92Å; R1726-S1729 CarbonylContact O-C 3.6Å; R1726-S1729 WeakPolarHBondContact O-CA 3.32Å; R1726-S1729 VanDerWaalsContact O-CB 3.31Å; R1726-S1729 WeakPolarHBondContact O-CB 3.29Å; R1726-S1729 PolarHBondContact O-N 2.99Å; S1729-G1732 PolarHBondContact O-N 3.13Å
1730	D	59.5	Low	65	Low	99 Å²	99	66.9 Å²	66.9	53%	0.529	34%	0.344	S	S	.	.	H	α-helix	trans	-72.4	-41.8	177.3	-57.3	-34	0	0	0	109.7	R1726 R1727 G1732	R1726-D1730 PolarHBondContact O-N 2.79Å; R1726-D1730 VanDerWaalsContact O-OD2 3.09Å; R1727-D1730 PolarHBondContact O-N 3.39Å; D1730-G1732 PolarHBondContact O-N 3.26Å; D1730-G1732 VanDerWaalsContact O-N 3.13Å
1731	M	49.2	Very low	63.1	Low	18 Å²	18	70.1 Å²	70.1	9%	0.089	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	18.8	166.9	-59.7	-179.5	-43.1	0	0	113.2	R1727 F1728 L1733 R1751 V1755	R1727-M1731 HydrophobicContact CG-CE 4.03Å; R1727-M1731 HydrophobicContact CG-SD 4.19Å; R1727-M1731 WeakPolarHBondContact O-CB 3.42Å; R1727-M1731 VanDerWaalsContact O-CG 3.25Å; R1727-M1731 WeakPolarHBondContact O-CG 3.37Å; R1727-M1731 PolarHBondContact O-N 2.85Å; F1728-M1731 HydrophobicContact CD1-CE 3.46Å; F1728-M1731 VanDerWaalsContact CD1-CE 3.46Å; F1728-M1731 HydrophobicContact CE1-CE 3.81Å; F1728-M1731 HydrophobicContact CG-CE 4.43Å; F1728-M1731 CarbonylContact O-C 3.6Å; M1731-L1733 HydrophobicContact CB-CD1 4.44Å; M1731-L1733 HydrophobicContact CE-CD1 4.19Å; M1731-L1733 PolarHBondContact O-N 2.84Å; M1731-R1751 WeakPolarHBondContact O-CG 3.5Å; M1731-V1755 HydrophobicContact CB-CG2 4.34Å
1732	G	54.5	Low	61.2	Low	20 Å²	20	77.7 Å²	77.7	21%	0.206	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	6.2	172	0	0	0	0	0	118.3	F1728 S1729 D1730 I1734 R1751	F1728-G1732 PolarHBondContact O-N 2.72Å; S1729-G1732 PolarHBondContact O-N 3.13Å; D1730-G1732 PolarHBondContact O-N 3.26Å; D1730-G1732 VanDerWaalsContact O-N 3.13Å; G1732-I1734 PolarHBondContact O-N 3.12Å; G1732-R1751 VanDerWaalsContact C-CD 3.43Å; G1732-R1751 WeakPolarHBondContact O-CD 3.31Å
1733	L	60.2	Low	59.7	Low	26 Å²	26	78.7 Å²	78.7	14%	0.136	42%	0.42	C	S	.	.	S	Bend	trans	-68.9	-11.3	177.2	-73.8	154.5	0	0	0	112.7	I1684 F1728 M1731 V1755 F1769	I1684-L1733 HydrophobicContact CG2-CB 4.15Å; I1684-L1733 WeakPolarHBondContact CG2-O 3.36Å; F1728-L1733 HydrophobicContact CB-CB 4.36Å; F1728-L1733 HydrophobicContact CD1-CD1 3.66Å; F1728-L1733 HydrophobicContact CE1-CD1 4.33Å; F1728-L1733 WeakPolarHBondContact O-CB 3.29Å; F1728-L1733 PolarHBondContact O-N 3.33Å; M1731-L1733 HydrophobicContact CB-CD1 4.44Å; M1731-L1733 HydrophobicContact CE-CD1 4.19Å; M1731-L1733 PolarHBondContact O-N 2.84Å; L1733-V1755 HydrophobicContact CD1-CG2 4.45Å; L1733-V1755 HydrophobicContact CG-CG2 4.49Å; L1733-F1769 HydrophobicContact CD2-CE2 3.68Å; L1733-F1769 HydrophobicContact CD2-CZ 3.62Å
1734	I	63.5	Low	58.4	Low	8 Å²	8	77.4 Å²	77.4	4%	0.041	41%	0.406	C	S	.	.	S	Bend	trans	-121.5	111.6	174.4	-52.8	176.2	0	0	0	108.8	I1684 R1692 L1695 L1725 F1728 G1732 D1736	I1684-I1734 HydrophobicContact CD1-CD1 3.92Å; I1684-I1734 HydrophobicContact CD1-CG1 4.04Å; I1684-I1734 HydrophobicContact CG1-CD1 4.23Å; I1684-I1734 HydrophobicContact CG1-CG1 4.15Å; I1684-I1734 HydrophobicContact CG2-CG1 4.22Å; R1692-I1734 HydrophobicContact CB-CG2 4.06Å; L1695-I1734 HydrophobicContact CD1-CD1 4.14Å; L1695-I1734 HydrophobicContact CD1-CG1 4.11Å; L1695-I1734 HydrophobicContact CD1-CG2 4.08Å; L1725-I1734 HydrophobicContact CB-CD1 4.43Å; L1725-I1734 HydrophobicContact CD2-CD1 3.6Å; F1728-I1734 HydrophobicContact CB-CD1 4.1Å; F1728-I1734 HydrophobicContact CB-CG1 4.31Å; F1728-I1734 PolarHBondContact O-N 3.41Å; G1732-I1734 PolarHBondContact O-N 3.12Å; I1734-D1736 PolarHBondContact O-N 2.75Å
1735	V	55.5	Low	57.2	Low	78 Å²	78	80 Å²	80	47%	0.473	42%	0.418	S	S	.	.			trans	-87	98.7	-179.5	-174.6	0	0	0	0	110.4	N1737	V1735-N1737 PolarHBondContact O-N 2.92Å; V1735-N1737 VanDerWaalsContact O-N 3.12Å
1736	D	55.2	Low	56	Low	81 Å²	81	83.6 Å²	83.6	43%	0.433	44%	0.437	S	S	.	.			trans	-75.2	98	167	-92.9	-17.5	0	0	0	109.7	R1692 I1734 G1738	R1692-D1736 WeakPolarHBondContact CB-OD1 3.22Å; R1692-D1736 PolarHBondContact N-OD1 3.39Å; I1734-D1736 PolarHBondContact O-N 2.75Å; D1736-G1738 PolarHBondContact O-N 2.98Å
1737	N	50.1	Low	55.2	Low	129 Å²	129	80.4 Å²	80.4	69%	0.69	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	14.4	-173.3	-68.6	-38.5	0	0	0	117.2	V1735	V1735-N1737 PolarHBondContact O-N 2.92Å; V1735-N1737 VanDerWaalsContact O-N 3.12Å
1738	G	48.7	Very low	54.8	Low	72 Å²	72	75.5 Å²	75.5	74%	0.742	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.3	-175	0	0	0	0	0	116.5	D1736	D1736-G1738 PolarHBondContact O-N 2.98Å
1739	R	43.9	Very low	54.4	Low	215 Å²	215	80 Å²	80	81%	0.811	43%	0.428	S	S	*	.	S	Bend	trans	-134.3	96.4	-171.9	-69.2	-170.3	176.5	-173	-0.8	115.4
1740	Q	43.9	Very low	54.3	Low	162 Å²	162	83.4 Å²	83.4	76%	0.757	44%	0.439	S	S	*	.			trans	57.5	86.8	147.6	-64.5	171.2	-40.6	0	0	116.7	N1742 Q1747	Q1740-N1742 PolarHBondContact O-N 3.36Å; Q1740-Q1747 PolarHBondContact O-NE2 3.49Å
1741	A	44.1	Very low	54.5	Low	88 Å²	88	79.4 Å²	79.4	73%	0.727	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-66.8	-0	177.1	0	0	0	0	0	116	N1743	A1741-N1743 VanDerWaalsContact C-N 3.31Å; A1741-N1743 PolarHBondContact O-N 2.94Å
1742	N	46.8	Very low	55.3	Low	159 Å²	159	78.7 Å²	78.7	85%	0.85	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-75.8	-14.9	-171.9	-69.8	23.5	0	0	0	114.2	Q1740	Q1740-N1742 PolarHBondContact O-N 3.36Å
1743	N	53.4	Low	55.8	Low	89 Å²	89	82.7 Å²	82.7	48%	0.476	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-126.2	30.5	-174.4	-123	61.3	0	0	0	113	A1741 H1745 D1746 Q1747	A1741-N1743 VanDerWaalsContact C-N 3.31Å; A1741-N1743 PolarHBondContact O-N 2.94Å; N1743-H1745 VanDerWaalsContact C-N 3.35Å; N1743-H1745 PolarHBondContact O-N 3.33Å; N1743-D1746 WeakPolarHBondContact ND2-CB 3.44Å; N1743-D1746 PolarHBondContact ND2-OD2 2.8Å; N1743-D1746 PolarHBondContact O-N 2.78Å; N1743-D1746 VanDerWaalsContact O-N 3.11Å; N1743-Q1747 WeakPolarHBondContact O-CG 3.37Å; N1743-Q1747 PolarHBondContact O-N 2.85Å
1744	W	53.1	Low	56	Low	35 Å²	35	84.4 Å²	84.4	13%	0.133	43%	0.429	C	S	.	.	H	α-helix	trans	-53.5	-45.3	-174.7	173.3	66.8	0	0	0	113.1	D1746 Q1747 E1748 F1776 Q1779 L1780	W1744-D1746 VanDerWaalsContact C-N 3.27Å; W1744-D1746 PolarHBondContact O-N 3.06Å; W1744-Q1747 PolarHBondContact O-N 3.16Å; W1744-E1748 HydrophobicContact CZ2-CB 4.38Å; W1744-E1748 HydrophobicContact CZ2-CG 3.98Å; W1744-E1748 WeakPolarHBondContact O-CB 3.42Å; W1744-E1748 PolarHBondContact O-N 3.5Å; W1744-F1776 HydrophobicContact CH2-CD2 4.21Å; W1744-F1776 HydrophobicContact CH2-CE2 4.33Å; W1744-F1776 AromaticContact CZ2-CD2 3.77Å; W1744-F1776 HydrophobicContact CZ2-CD2 3.77Å; W1744-F1776 HydrophobicContact CZ2-CE2 4.24Å; W1744-Q1779 HydrophobicContact CD2-CB 4.16Å; W1744-Q1779 HydrophobicContact CE3-CB 4.17Å; W1744-Q1779 HydrophobicContact CH2-CB 3.41Å; W1744-Q1779 VanDerWaalsContact CH2-CB 3.41Å; W1744-Q1779 HydrophobicContact CZ2-CB 3.36Å; W1744-Q1779 HydrophobicContact CZ2-CG 4.35Å; W1744-Q1779 HydrophobicContact CZ3-CB 3.82Å; W1744-L1780 HydrophobicContact CH2-CB 4.46Å; W1744-L1780 HydrophobicContact CH2-CD1 4.26Å
1745	H	54.9	Low	55.8	Low	81 Å²	81	84.3 Å²	84.3	38%	0.375	43%	0.429	S	S	.	.	H	α-helix	trans	-59.2	-34.5	-180	-70.1	88.9	0	0	0	113.6	N1743 R1749 S1783	N1743-H1745 VanDerWaalsContact C-N 3.35Å; N1743-H1745 PolarHBondContact O-N 3.33Å; H1745-R1749 WeakPolarHBondContact O-CB 3.37Å; H1745-R1749 VanDerWaalsContact O-CG 3.31Å; H1745-R1749 WeakPolarHBondContact O-CG 3.31Å; H1745-R1749 PolarHBondContact O-N 3.31Å; H1745-S1783 WeakPolarHBondContact NE2-CB 3.39Å; H1745-S1783 PolarHBondContact NE2-OG 3.15Å
1746	D	56	Low	56.1	Low	74 Å²	74	81 Å²	81	40%	0.396	41%	0.409	S	S	.	.	H	α-helix	trans	-82.5	-36.9	176.6	-78.7	-23.1	0	0	0	112.9	N1743 W1744 E1748 K1750	N1743-D1746 WeakPolarHBondContact ND2-CB 3.44Å; N1743-D1746 PolarHBondContact ND2-OD2 2.8Å; N1743-D1746 PolarHBondContact O-N 2.78Å; N1743-D1746 VanDerWaalsContact O-N 3.11Å; W1744-D1746 VanDerWaalsContact C-N 3.27Å; W1744-D1746 PolarHBondContact O-N 3.06Å; D1746-E1748 PolarHBondContact O-N 3.46Å; D1746-K1750 WeakPolarHBondContact O-CB 3.24Å; D1746-K1750 VanDerWaalsContact O-CG 3.28Å; D1746-K1750 WeakPolarHBondContact O-CG 3.46Å; D1746-K1750 PolarHBondContact O-N 3Å
1747	Q	59.8	Low	56.3	Low	92 Å²	92	84.9 Å²	84.9	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-59.9	-39.5	171.3	-70.4	168.3	-8.1	0	0	110	Q1740 N1743 W1744 K1750 R1751	Q1740-Q1747 PolarHBondContact O-NE2 3.49Å; N1743-Q1747 WeakPolarHBondContact O-CG 3.37Å; N1743-Q1747 PolarHBondContact O-N 2.85Å; W1744-Q1747 PolarHBondContact O-N 3.16Å; Q1747-K1750 PolarHBondContact O-N 3.43Å; Q1747-R1751 WeakPolarHBondContact O-CB 3.37Å; Q1747-R1751 PolarHBondContact O-N 2.89Å
1748	E	59.6	Low	56.4	Low	14 Å²	14	80.1 Å²	80.1	7%	0.065	40%	0.403	C	S	.	.	H	α-helix	trans	-76.4	-40.2	179.4	-170.4	56.2	-136	0	0	112.6	W1744 D1746 K1750 R1751 L1752 F1776	W1744-E1748 HydrophobicContact CZ2-CB 4.38Å; W1744-E1748 HydrophobicContact CZ2-CG 3.98Å; W1744-E1748 WeakPolarHBondContact O-CB 3.42Å; W1744-E1748 PolarHBondContact O-N 3.5Å; D1746-E1748 PolarHBondContact O-N 3.46Å; E1748-K1750 VanDerWaalsContact C-N 3.28Å; E1748-K1750 PolarHBondContact O-N 2.69Å; E1748-R1751 VanDerWaalsContact CD-NE 3.3Å; E1748-R1751 WeakPolarHBondContact O-CB 3Å; E1748-R1751 PolarHBondContact O-N 2.83Å; E1748-R1751 IonicContact OE1-CZ 2.71Å; E1748-R1751 IonicContact OE1-NE 2.74Å; E1748-R1751 PolarHBondContact OE1-NE 3.03Å; E1748-R1751 IonicContact OE1-NH2 3.76Å; E1748-R1751 PolarHBondContact OE1-NH2 3.48Å; E1748-R1751 IonicContact OE2-CZ 2.71Å; E1748-R1751 IonicContact OE2-NE 3.55Å; E1748-R1751 PolarHBondContact OE2-NE 3.09Å; E1748-R1751 IonicContact OE2-NH2 3.74Å; E1748-L1752 HydrophobicContact CG-CD1 4.33Å; E1748-L1752 WeakPolarHBondContact O-CG 3.39Å; E1748-L1752 PolarHBondContact O-N 3.26Å; E1748-F1776 VanDerWaalsContact CD-CD2 3.48Å; E1748-F1776 HydrophobicContact CG-CD2 3.46Å; E1748-F1776 VanDerWaalsContact CG-CD2 3.46Å; E1748-F1776 HydrophobicContact CG-CE2 3.42Å; E1748-F1776 VanDerWaalsContact CG-CE2 3.42Å; E1748-F1776 WeakPolarHBondContact OE1-CD2 3.34Å
1749	R	62.4	Low	56.7	Low	112 Å²	112	80.2 Å²	80.2	42%	0.423	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-39.3	168.6	-83.2	176.8	170.2	-178.8	-2.2	111.9	H1745 R1753 F1798	H1745-R1749 WeakPolarHBondContact O-CB 3.37Å; H1745-R1749 VanDerWaalsContact O-CG 3.31Å; H1745-R1749 WeakPolarHBondContact O-CG 3.31Å; H1745-R1749 PolarHBondContact O-N 3.31Å; R1749-R1753 WeakPolarHBondContact O-CB 3.18Å; R1749-R1753 VanDerWaalsContact O-CG 3.26Å; R1749-R1753 WeakPolarHBondContact O-CG 3.49Å; R1749-R1753 PolarHBondContact O-N 3.39Å; R1749-F1798 HydrophobicContact CG-CD1 4.27Å; R1749-F1798 HydrophobicContact CG-CE1 3.95Å
1750	K	65.8	Low	56.9	Low	99 Å²	99	76.1 Å²	76.1	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-66.1	-48.3	173	-74.4	175.2	-176.8	-177.6	0	110.8	D1746 Q1747 E1748 L1752 R1753 E1754	D1746-K1750 WeakPolarHBondContact O-CB 3.24Å; D1746-K1750 VanDerWaalsContact O-CG 3.28Å; D1746-K1750 WeakPolarHBondContact O-CG 3.46Å; D1746-K1750 PolarHBondContact O-N 3Å; Q1747-K1750 PolarHBondContact O-N 3.43Å; E1748-K1750 VanDerWaalsContact C-N 3.28Å; E1748-K1750 PolarHBondContact O-N 2.69Å; K1750-L1752 PolarHBondContact O-N 2.8Å; K1750-R1753 CarbonylContact O-C 3.5Å; K1750-R1753 PolarHBondContact O-N 2.71Å; K1750-R1753 VanDerWaalsContact O-N 3.15Å; K1750-E1754 WeakPolarHBondContact O-CB 3.45Å; K1750-E1754 WeakPolarHBondContact O-CG 3.5Å; K1750-E1754 PolarHBondContact O-N 3.46Å
1751	R	65	Low	57.5	Low	16 Å²	16	69.3 Å²	69.3	6%	0.06	36%	0.356	C	S	.	.	H	α-helix	trans	-52.3	-52.2	175.2	-171	177.6	77.2	132.5	8.1	112.3	M1731 G1732 Q1747 E1748 E1754 V1755 D1773	M1731-R1751 WeakPolarHBondContact O-CG 3.5Å; G1732-R1751 VanDerWaalsContact C-CD 3.43Å; G1732-R1751 WeakPolarHBondContact O-CD 3.31Å; Q1747-R1751 WeakPolarHBondContact O-CB 3.37Å; Q1747-R1751 PolarHBondContact O-N 2.89Å; E1748-R1751 VanDerWaalsContact CD-NE 3.3Å; E1748-R1751 WeakPolarHBondContact O-CB 3Å; E1748-R1751 PolarHBondContact O-N 2.83Å; E1748-R1751 IonicContact OE1-CZ 2.71Å; E1748-R1751 IonicContact OE1-NE 2.74Å; E1748-R1751 PolarHBondContact OE1-NE 3.03Å; E1748-R1751 IonicContact OE1-NH2 3.76Å; E1748-R1751 PolarHBondContact OE1-NH2 3.48Å; E1748-R1751 IonicContact OE2-CZ 2.71Å; E1748-R1751 IonicContact OE2-NE 3.55Å; E1748-R1751 PolarHBondContact OE2-NE 3.09Å; E1748-R1751 IonicContact OE2-NH2 3.74Å; R1751-E1754 PolarHBondContact O-N 3.31Å; R1751-V1755 HydrophobicContact CG-CG2 4.34Å; R1751-V1755 WeakPolarHBondContact O-CB 3.34Å; R1751-V1755 VanDerWaalsContact O-CG2 3.29Å; R1751-V1755 WeakPolarHBondContact O-CG2 3.29Å; R1751-V1755 PolarHBondContact O-N 3.13Å; R1751-D1773 IonicContact CZ-OD2 3.46Å; R1751-D1773 IonicContact NH1-OD2 3.26Å; R1751-D1773 PolarHBondContact NH1-OD2 2.95Å; R1751-D1773 IonicContact NH2-OD2 3.4Å; R1751-D1773 PolarHBondContact NH2-OD2 2.93Å
1752	L	64.8	Low	57.9	Low	3 Å²	3	66 Å²	66	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-40.4	179.8	-66.2	169.1	0	0	0	111.6	E1748 K1750 E1754 V1756 L1766 F1769 I1770 F1776 L1802	E1748-L1752 HydrophobicContact CG-CD1 4.33Å; E1748-L1752 WeakPolarHBondContact O-CG 3.39Å; E1748-L1752 PolarHBondContact O-N 3.26Å; K1750-L1752 PolarHBondContact O-N 2.8Å; L1752-E1754 VanDerWaalsContact C-N 3.34Å; L1752-E1754 PolarHBondContact O-N 2.95Å; L1752-V1756 WeakPolarHBondContact O-CB 3.17Å; L1752-V1756 WeakPolarHBondContact O-CG2 3.42Å; L1752-V1756 PolarHBondContact O-N 3.49Å; L1752-L1766 HydrophobicContact CD2-CD1 4.39Å; L1752-F1769 HydrophobicContact CD2-CE1 4.22Å; L1752-I1770 HydrophobicContact CD1-CD1 4.35Å; L1752-I1770 HydrophobicContact CD2-CD1 4.09Å; L1752-I1770 HydrophobicContact CD2-CG1 4.13Å; L1752-F1776 HydrophobicContact CD1-CE2 4.14Å; L1752-F1776 HydrophobicContact CD1-CZ 4.17Å; L1752-L1802 HydrophobicContact CB-CD1 4.17Å
1753	R	65.4	Low	58.4	Low	103 Å²	103	60.5 Å²	60.5	39%	0.389	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-37.9	172	-77.1	172.7	171.2	165.5	-0.7	112.7	R1749 K1750 K1757 L1802 E1805 L1807	R1749-R1753 WeakPolarHBondContact O-CB 3.18Å; R1749-R1753 VanDerWaalsContact O-CG 3.26Å; R1749-R1753 WeakPolarHBondContact O-CG 3.49Å; R1749-R1753 PolarHBondContact O-N 3.39Å; K1750-R1753 CarbonylContact O-C 3.5Å; K1750-R1753 PolarHBondContact O-N 2.71Å; K1750-R1753 VanDerWaalsContact O-N 3.15Å; R1753-K1757 VanDerWaalsContact O-CB 3.23Å; R1753-K1757 WeakPolarHBondContact O-CB 3.39Å; R1753-K1757 VanDerWaalsContact O-CG 3.24Å; R1753-K1757 WeakPolarHBondContact O-CG 3.34Å; R1753-K1757 PolarHBondContact O-N 3.41Å; R1753-L1802 HydrophobicContact CG-CD2 3.66Å; R1753-E1805 IonicContact CZ-OE1 2.68Å; R1753-E1805 IonicContact CZ-OE2 3.32Å; R1753-E1805 IonicContact NE-OE1 3.09Å; R1753-E1805 PolarHBondContact NE-OE1 2.83Å; R1753-E1805 IonicContact NE-OE2 3.13Å; R1753-E1805 PolarHBondContact NE-OE2 2.88Å; R1753-E1805 VanDerWaalsContact NH2-CD 3.33Å; R1753-E1805 IonicContact NH2-OE1 3.32Å; R1753-E1805 PolarHBondContact NH2-OE1 3.28Å; R1753-E1805 IonicContact NH2-OE2 3.12Å; R1753-E1805 PolarHBondContact NH2-OE2 3.17Å; R1753-L1807 HydrophobicContact CB-CD1 4.4Å; R1753-L1807 HydrophobicContact CG-CD1 4.07Å
1754	E	64.3	Low	58.3	Low	63 Å²	63	61.2 Å²	61.2	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-79.6	-33.7	-177.8	-73.3	167.3	150	0	0	112	Q392 K1750 R1751 L1752 G1758	Q392-E1754 PolarHBondContact NE2-OE1 3.47Å; Q392-E1754 VanDerWaalsContact NE2-OE1 3.09Å; K1750-E1754 WeakPolarHBondContact O-CB 3.45Å; K1750-E1754 WeakPolarHBondContact O-CG 3.5Å; K1750-E1754 PolarHBondContact O-N 3.46Å; R1751-E1754 PolarHBondContact O-N 3.31Å; L1752-E1754 VanDerWaalsContact C-N 3.34Å; L1752-E1754 PolarHBondContact O-N 2.95Å; E1754-G1758 PolarHBondContact O-N 3.48Å
1755	V	60	Low	58.4	Low	6 Å²	6	64.5 Å²	64.5	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-49.4	168.8	165.7	0	0	0	0	110.7	M1731 L1733 R1751 G1758 V1759 I1761	M1731-V1755 HydrophobicContact CB-CG2 4.34Å; L1733-V1755 HydrophobicContact CD1-CG2 4.45Å; L1733-V1755 HydrophobicContact CG-CG2 4.49Å; R1751-V1755 HydrophobicContact CG-CG2 4.34Å; R1751-V1755 WeakPolarHBondContact O-CB 3.34Å; R1751-V1755 VanDerWaalsContact O-CG2 3.29Å; R1751-V1755 WeakPolarHBondContact O-CG2 3.29Å; R1751-V1755 PolarHBondContact O-N 3.13Å; V1755-G1758 CarbonylContact O-C 3.58Å; V1755-G1758 PolarHBondContact O-N 2.99Å; V1755-G1758 VanDerWaalsContact O-N 3.11Å; V1755-V1759 PolarHBondContact O-N 3.44Å; V1755-I1761 HydrophobicContact CG1-CD1 3.8Å
1756	V	60.6	Low	58.8	Low	8 Å²	8	60.7 Å²	60.7	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-75.6	-28.4	-177.6	-176.3	0	0	0	0	112.2	L1752 G1758 L1766 L1807 L1808	L1752-V1756 WeakPolarHBondContact O-CB 3.17Å; L1752-V1756 WeakPolarHBondContact O-CG2 3.42Å; L1752-V1756 PolarHBondContact O-N 3.49Å; V1756-G1758 VanDerWaalsContact C-N 3.31Å; V1756-L1766 HydrophobicContact CG2-CD1 4.01Å; V1756-L1766 HydrophobicContact CG2-CD2 4Å; V1756-L1807 HydrophobicContact CB-CB 4.41Å; V1756-L1807 HydrophobicContact CG1-CB 3.65Å; V1756-L1807 WeakPolarHBondContact CG1-O 3.21Å; V1756-L1808 HydrophobicContact CG1-CD2 3.65Å; V1756-L1808 HydrophobicContact CG1-CG 4.21Å; V1756-L1808 HydrophobicContact CG2-CD2 4.23Å
1757	K	60.9	Low	59	Low	162 Å²	162	58.8 Å²	58.8	70%	0.704	29%	0.286	S	S	*	.	H	α-helix	trans	-69.7	-27.9	165	-79.3	-177.3	173.9	-169.7	0	113.2	R1753 L1807	R1753-K1757 VanDerWaalsContact O-CB 3.23Å; R1753-K1757 WeakPolarHBondContact O-CB 3.39Å; R1753-K1757 VanDerWaalsContact O-CG 3.24Å; R1753-K1757 WeakPolarHBondContact O-CG 3.34Å; R1753-K1757 PolarHBondContact O-N 3.41Å; K1757-L1807 HydrophobicContact CG-CD2 3.8Å
1758	G	50.6	Low	59	Low	29 Å²	29	58.5 Å²	58.5	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-89.4	-15.4	-175.7	0	0	0	0	0	115	R1727 E1754 V1755 V1756	R1727-G1758 PolarHBondContact NH2-O 3.26Å; E1754-G1758 PolarHBondContact O-N 3.48Å; V1755-G1758 CarbonylContact O-C 3.58Å; V1755-G1758 PolarHBondContact O-N 2.99Å; V1755-G1758 VanDerWaalsContact O-N 3.11Å; V1756-G1758 VanDerWaalsContact C-N 3.31Å
1759	V	54.9	Low	59.2	Low	74 Å²	74	58.8 Å²	58.8	45%	0.448	29%	0.288	S	S	.	.	S	Bend	trans	-148.5	129.8	-176.3	-171	0	0	0	0	108.9	V1755 I1761	V1755-V1759 PolarHBondContact O-N 3.44Å; V1759-I1761 HydrophobicContact CB-CD1 3.89Å; V1759-I1761 HydrophobicContact CB-CG1 3.88Å; V1759-I1761 HydrophobicContact CG1-CD1 4.08Å; V1759-I1761 HydrophobicContact CG1-CG1 3.69Å; V1759-I1761 WeakPolarHBondContact O-CG1 3.42Å; V1759-I1761 PolarHBondContact O-N 2.88Å
1760	V	47.7	Very low	59.3	Low	129 Å²	129	53.5 Å²	53.5	78%	0.782	27%	0.268	S	S	*	.			trans	-68.5	115	169.4	-179.1	0	0	0	0	108.2
1761	I	57	Low	59	Low	20 Å²	20	51.1 Å²	51.1	10%	0.103	26%	0.264	C	S	.	.			trans	-132.6	130	-174.7	-64.5	175.1	0	0	0	107.8	V1755 V1759 E1765 L1766 L1808	V1755-I1761 HydrophobicContact CG1-CD1 3.8Å; V1759-I1761 HydrophobicContact CB-CD1 3.89Å; V1759-I1761 HydrophobicContact CB-CG1 3.88Å; V1759-I1761 HydrophobicContact CG1-CD1 4.08Å; V1759-I1761 HydrophobicContact CG1-CG1 3.69Å; V1759-I1761 WeakPolarHBondContact O-CG1 3.42Å; V1759-I1761 PolarHBondContact O-N 2.88Å; I1761-E1765 HydrophobicContact CG2-CB 3.68Å; I1761-L1766 HydrophobicContact CG2-CB 3.69Å; I1761-L1766 VanDerWaalsContact CG2-N 3.27Å; I1761-L1808 VanDerWaalsContact O-CD2 3.27Å; I1761-L1808 WeakPolarHBondContact O-CD2 3.27Å
1762	T	52.9	Low	58.8	Low	18 Å²	18	56 Å²	56	11%	0.11	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-73.8	162.2	172.8	58.8	0	0	0	0	112	Q1764 E1765 L1766 E1809	T1762-Q1764 PolarHBondContact O-N 3.13Å; T1762-Q1764 VanDerWaalsContact O-N 3.09Å; T1762-E1765 VanDerWaalsContact CB-OE2 3.32Å; T1762-E1765 WeakPolarHBondContact CB-OE2 3.48Å; T1762-E1765 VanDerWaalsContact CG2-OE2 3.32Å; T1762-E1765 WeakPolarHBondContact CG2-OE2 3.46Å; T1762-E1765 PolarHBondContact N-OE2 2.65Å; T1762-E1765 PolarHBondContact O-N 2.75Å; T1762-E1765 WeakPolarHBondContact OG1-CG 3.28Å; T1762-E1765 PolarHBondContact OG1-N 3.5Å; T1762-E1765 VanDerWaalsContact OG1-N 3.16Å; T1762-E1765 PolarHBondContact OG1-OE2 3.34Å; T1762-L1766 PolarHBondContact O-N 2.67Å; T1762-E1809 HydrophobicContact CG2-CB 4.35Å
1763	E	57.2	Low	58.8	Low	43 Å²	43	56.8 Å²	56.8	20%	0.201	29%	0.292	C	S	.	.	H	α-helix	trans	-49.8	-35.9	170.3	165.2	164	-139	0	0	112.3	L1767 I1799	E1763-L1767 HydrophobicContact CG-CD1 4.39Å; E1763-L1767 WeakPolarHBondContact O-CG 3.49Å; E1763-L1767 PolarHBondContact O-N 3.21Å; E1763-I1799 HydrophobicContact CB-CG2 4.38Å; E1763-I1799 HydrophobicContact CG-CG2 3.93Å
1764	Q	52.5	Low	58.6	Low	105 Å²	105	55.7 Å²	55.7	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-72.2	-47.7	-179.5	-156.7	162.2	10.6	0	0	112.5	T1762 L1766 L1767 D1768 L1813	T1762-Q1764 PolarHBondContact O-N 3.13Å; T1762-Q1764 VanDerWaalsContact O-N 3.09Å; Q1764-L1766 VanDerWaalsContact C-N 3.3Å; Q1764-L1766 PolarHBondContact O-N 2.86Å; Q1764-L1767 WeakPolarHBondContact O-CB 3.31Å; Q1764-L1767 PolarHBondContact O-N 3.46Å; Q1764-D1768 PolarHBondContact O-N 3.28Å; Q1764-L1813 HydrophobicContact CB-CD1 3.61Å; Q1764-L1813 HydrophobicContact CG-CD1 3.69Å
1765	E	54.8	Low	58.5	Low	104 Å²	104	54.7 Å²	54.7	49%	0.486	30%	0.297	S	S	.	.	H	α-helix	trans	-68.2	-30	177.1	-68.9	159.4	130.8	0	0	112.1	I1761 T1762 D1768 F1769	I1761-E1765 HydrophobicContact CG2-CB 3.68Å; T1762-E1765 VanDerWaalsContact CB-OE2 3.32Å; T1762-E1765 WeakPolarHBondContact CB-OE2 3.48Å; T1762-E1765 VanDerWaalsContact CG2-OE2 3.32Å; T1762-E1765 WeakPolarHBondContact CG2-OE2 3.46Å; T1762-E1765 PolarHBondContact N-OE2 2.65Å; T1762-E1765 PolarHBondContact O-N 2.75Å; T1762-E1765 WeakPolarHBondContact OG1-CG 3.28Å; T1762-E1765 PolarHBondContact OG1-N 3.5Å; T1762-E1765 VanDerWaalsContact OG1-N 3.16Å; T1762-E1765 PolarHBondContact OG1-OE2 3.34Å; E1765-D1768 PolarHBondContact O-N 2.95Å; E1765-F1769 VanDerWaalsContact O-CB 3.31Å; E1765-F1769 WeakPolarHBondContact O-CB 3.14Å; E1765-F1769 PolarHBondContact O-N 3.35Å
1766	L	63.6	Low	58.6	Low	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-71.5	-39.9	173.3	-172.5	61	0	0	0	111.2	L1752 V1756 I1761 T1762 Q1764 D1768 F1769 I1770 I1799 L1802 L1808	L1752-L1766 HydrophobicContact CD2-CD1 4.39Å; V1756-L1766 HydrophobicContact CG2-CD1 4.01Å; V1756-L1766 HydrophobicContact CG2-CD2 4Å; I1761-L1766 HydrophobicContact CG2-CB 3.69Å; I1761-L1766 VanDerWaalsContact CG2-N 3.27Å; T1762-L1766 PolarHBondContact O-N 2.67Å; Q1764-L1766 VanDerWaalsContact C-N 3.3Å; Q1764-L1766 PolarHBondContact O-N 2.86Å; L1766-D1768 VanDerWaalsContact C-N 3.34Å; L1766-F1769 HydrophobicContact CD1-CD1 4.09Å; L1766-F1769 PolarHBondContact O-N 2.86Å; L1766-I1770 HydrophobicContact CD1-CD1 4.16Å; L1766-I1770 HydrophobicContact CD1-CG1 4.33Å; L1766-I1770 HydrophobicContact CD2-CD1 4.43Å; L1766-I1770 HydrophobicContact CG-CD1 3.94Å; L1766-I1770 HydrophobicContact CG-CG1 4.47Å; L1766-I1770 WeakPolarHBondContact O-CB 3.27Å; L1766-I1770 WeakPolarHBondContact O-CG1 3.31Å; L1766-I1770 PolarHBondContact O-N 2.81Å; L1766-I1799 HydrophobicContact CB-CD1 4.5Å; L1766-I1799 HydrophobicContact CD2-CD1 4.37Å; L1766-I1799 HydrophobicContact CD2-CG1 3.8Å; L1766-I1799 HydrophobicContact CG-CD1 4.25Å; L1766-I1799 HydrophobicContact CG-CG1 4.19Å; L1766-L1802 HydrophobicContact CD2-CD1 3.68Å; L1766-L1808 HydrophobicContact CB-CD2 4.22Å; L1766-L1808 HydrophobicContact CD2-CD1 3.94Å; L1766-L1808 HydrophobicContact CD2-CD2 3.8Å; L1766-L1808 HydrophobicContact CD2-CG 4.43Å
1767	L	59.3	Low	58.5	Low	35 Å²	35	54.8 Å²	54.8	18%	0.183	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-46.1	170.2	-82.6	169.1	0	0	0	111.1	E1763 Q1764 I1770 S1771 Q1795 I1799	E1763-L1767 HydrophobicContact CG-CD1 4.39Å; E1763-L1767 WeakPolarHBondContact O-CG 3.49Å; E1763-L1767 PolarHBondContact O-N 3.21Å; Q1764-L1767 WeakPolarHBondContact O-CB 3.31Å; Q1764-L1767 PolarHBondContact O-N 3.46Å; L1767-I1770 CarbonylContact O-C 3.59Å; L1767-I1770 PolarHBondContact O-N 3.39Å; L1767-S1771 WeakPolarHBondContact O-CB 3.49Å; L1767-S1771 PolarHBondContact O-N 3.09Å; L1767-Q1795 HydrophobicContact CD2-CB 4.27Å; L1767-I1799 HydrophobicContact CB-CD1 4.37Å; L1767-I1799 HydrophobicContact CD2-CD1 3.48Å; L1767-I1799 VanDerWaalsContact CD2-CD1 3.48Å; L1767-I1799 HydrophobicContact CG-CD1 3.52Å
1768	D	60.3	Low	58.6	Low	85 Å²	85	50.1 Å²	50.1	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-45.8	178.3	-77.4	-11.3	0	0	0	111.5	Q1764 E1765 L1766 S1771 Q1772	Q1764-D1768 PolarHBondContact O-N 3.28Å; E1765-D1768 PolarHBondContact O-N 2.95Å; L1766-D1768 VanDerWaalsContact C-N 3.34Å; D1768-S1771 PolarHBondContact O-N 3.04Å; D1768-S1771 PolarHBondContact O-OG 3Å; D1768-Q1772 WeakPolarHBondContact O-CG 3.33Å; D1768-Q1772 PolarHBondContact O-N 3.16Å; D1768-Q1772 PolarHBondContact O-NE2 3.08Å
1769	F	64.3	Low	59.1	Low	21 Å²	21	52.1 Å²	52.1	9%	0.092	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-47.3	173.9	174.5	-97.7	0	0	0	112.1	L1733 L1752 E1765 L1766 S1771 Q1772 D1773	L1733-F1769 HydrophobicContact CD2-CE2 3.68Å; L1733-F1769 HydrophobicContact CD2-CZ 3.62Å; L1752-F1769 HydrophobicContact CD2-CE1 4.22Å; E1765-F1769 VanDerWaalsContact O-CB 3.31Å; E1765-F1769 WeakPolarHBondContact O-CB 3.14Å; E1765-F1769 PolarHBondContact O-N 3.35Å; L1766-F1769 HydrophobicContact CD1-CD1 4.09Å; L1766-F1769 PolarHBondContact O-N 2.86Å; F1769-S1771 PolarHBondContact O-N 3.39Å; F1769-Q1772 PolarHBondContact O-N 3.21Å; F1769-Q1772 VanDerWaalsContact O-N 3.15Å; F1769-D1773 PolarHBondContact O-N 2.65Å
1770	I	63.7	Low	59.3	Low	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-23.6	177.2	-83.1	176.6	0	0	0	112.6	L1752 L1766 L1767 F1776 Q1777 Q1795 I1799	L1752-I1770 HydrophobicContact CD1-CD1 4.35Å; L1752-I1770 HydrophobicContact CD2-CD1 4.09Å; L1752-I1770 HydrophobicContact CD2-CG1 4.13Å; L1766-I1770 HydrophobicContact CD1-CD1 4.16Å; L1766-I1770 HydrophobicContact CD1-CG1 4.33Å; L1766-I1770 HydrophobicContact CD2-CD1 4.43Å; L1766-I1770 HydrophobicContact CG-CD1 3.94Å; L1766-I1770 HydrophobicContact CG-CG1 4.47Å; L1766-I1770 WeakPolarHBondContact O-CB 3.27Å; L1766-I1770 WeakPolarHBondContact O-CG1 3.31Å; L1766-I1770 PolarHBondContact O-N 2.81Å; L1767-I1770 CarbonylContact O-C 3.59Å; L1767-I1770 PolarHBondContact O-N 3.39Å; I1770-F1776 HydrophobicContact CB-CD1 4.34Å; I1770-F1776 HydrophobicContact CB-CE1 4.24Å; I1770-F1776 HydrophobicContact CD1-CE1 4.14Å; I1770-F1776 HydrophobicContact CG1-CD1 4.19Å; I1770-F1776 HydrophobicContact CG1-CE1 3.94Å; I1770-F1776 HydrophobicContact CG2-CD1 3.9Å; I1770-F1776 HydrophobicContact CG2-CE1 3.57Å; I1770-Q1777 WeakPolarHBondContact O-CG 3.41Å; I1770-Q1795 HydrophobicContact CG2-CB 4.05Å; I1770-Q1795 VanDerWaalsContact CG2-CD 3.49Å; I1770-Q1795 HydrophobicContact CG2-CG 3.57Å; I1770-I1799 HydrophobicContact CD1-CD1 4.19Å; I1770-I1799 HydrophobicContact CD1-CG1 4.14Å
1771	S	59.6	Low	59.4	Low	50 Å²	50	43.5 Å²	43.5	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-81.5	-31.8	171.5	81.1	0	0	0	0	113.2	L1767 D1768 F1769 Q1777	L1767-S1771 WeakPolarHBondContact O-CB 3.49Å; L1767-S1771 PolarHBondContact O-N 3.09Å; D1768-S1771 PolarHBondContact O-N 3.04Å; D1768-S1771 PolarHBondContact O-OG 3Å; F1769-S1771 PolarHBondContact O-N 3.39Å; S1771-Q1777 PolarHBondContact O-OE1 3.32Å
1772	Q	61.5	Low	59.5	Low	118 Å²	118	49 Å²	49	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-79	-29.5	178.9	-72.7	171	48.9	0	0	112.1	D1768 F1769 T1774	D1768-Q1772 WeakPolarHBondContact O-CG 3.33Å; D1768-Q1772 PolarHBondContact O-N 3.16Å; D1768-Q1772 PolarHBondContact O-NE2 3.08Å; F1769-Q1772 PolarHBondContact O-N 3.21Å; F1769-Q1772 VanDerWaalsContact O-N 3.15Å; Q1772-T1774 VanDerWaalsContact C-N 3.26Å; Q1772-T1774 PolarHBondContact O-N 3.4Å
1773	D	64.3	Low	59.3	Low	20 Å²	20	50.2 Å²	50.2	11%	0.107	27%	0.267	C	S	.	.			trans	-73.9	82.1	172.2	-164.5	-27.4	0	0	0	111.3	R1751 F1769 S1775 F1776 Q1777	R1751-D1773 IonicContact CZ-OD2 3.46Å; R1751-D1773 IonicContact NH1-OD2 3.26Å; R1751-D1773 PolarHBondContact NH1-OD2 2.95Å; R1751-D1773 IonicContact NH2-OD2 3.4Å; R1751-D1773 PolarHBondContact NH2-OD2 2.93Å; F1769-D1773 PolarHBondContact O-N 2.65Å; D1773-S1775 PolarHBondContact O-N 2.93Å; D1773-S1775 VanDerWaalsContact O-N 3.16Å; D1773-S1775 WeakPolarHBondContact OD1-CA 3.46Å; D1773-S1775 WeakPolarHBondContact OD1-CB 3.36Å; D1773-S1775 PolarHBondContact OD1-N 2.81Å; D1773-S1775 PolarHBondContact OD1-OG 2.96Å; D1773-F1776 HydrophobicContact CB-CB 3.89Å; D1773-F1776 PolarHBondContact O-N 3.19Å; D1773-F1776 PolarHBondContact OD1-N 2.85Å; D1773-Q1777 PolarHBondContact O-N 2.73Å
1774	T	61.8	Low	58.4	Low	79 Å²	79	52.7 Å²	52.7	49%	0.485	28%	0.275	S	S	.	.	H	α-helix	trans	-57.5	-22.6	173.6	53.2	0	0	0	0	113.6	Q1772 T1778	Q1772-T1774 VanDerWaalsContact C-N 3.26Å; Q1772-T1774 PolarHBondContact O-N 3.4Å; T1774-T1778 WeakPolarHBondContact O-CB 3.34Å; T1774-T1778 PolarHBondContact O-N 2.86Å; T1774-T1778 PolarHBondContact O-OG1 2.8Å
1775	S	60.4	Low	57.6	Low	43 Å²	43	52.5 Å²	52.5	30%	0.301	28%	0.275	S	S	.	.	H	α-helix	trans	-75.6	-47.7	175.3	74.1	0	0	0	0	110.7	D1773 T1778 Q1779	D1773-S1775 PolarHBondContact O-N 2.93Å; D1773-S1775 VanDerWaalsContact O-N 3.16Å; D1773-S1775 WeakPolarHBondContact OD1-CA 3.46Å; D1773-S1775 WeakPolarHBondContact OD1-CB 3.36Å; D1773-S1775 PolarHBondContact OD1-N 2.81Å; D1773-S1775 PolarHBondContact OD1-OG 2.96Å; S1775-T1778 PolarHBondContact O-N 3.41Å; S1775-Q1779 WeakPolarHBondContact O-CB 3.37Å; S1775-Q1779 WeakPolarHBondContact O-CG 3.39Å; S1775-Q1779 PolarHBondContact O-N 3.12Å; S1775-Q1779 PolarHBondContact O-OE1 2.97Å
1776	F	62.3	Low	57	Low	2 Å²	2	48.9 Å²	48.9	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-52	170.2	178.7	-107.1	0	0	0	110.9	W1744 E1748 L1752 I1770 D1773 T1778 Q1779 L1780	W1744-F1776 HydrophobicContact CH2-CD2 4.21Å; W1744-F1776 HydrophobicContact CH2-CE2 4.33Å; W1744-F1776 AromaticContact CZ2-CD2 3.77Å; W1744-F1776 HydrophobicContact CZ2-CD2 3.77Å; W1744-F1776 HydrophobicContact CZ2-CE2 4.24Å; E1748-F1776 VanDerWaalsContact CD-CD2 3.48Å; E1748-F1776 HydrophobicContact CG-CD2 3.46Å; E1748-F1776 VanDerWaalsContact CG-CD2 3.46Å; E1748-F1776 HydrophobicContact CG-CE2 3.42Å; E1748-F1776 VanDerWaalsContact CG-CE2 3.42Å; E1748-F1776 WeakPolarHBondContact OE1-CD2 3.34Å; L1752-F1776 HydrophobicContact CD1-CE2 4.14Å; L1752-F1776 HydrophobicContact CD1-CZ 4.17Å; I1770-F1776 HydrophobicContact CB-CD1 4.34Å; I1770-F1776 HydrophobicContact CB-CE1 4.24Å; I1770-F1776 HydrophobicContact CD1-CE1 4.14Å; I1770-F1776 HydrophobicContact CG1-CD1 4.19Å; I1770-F1776 HydrophobicContact CG1-CE1 3.94Å; I1770-F1776 HydrophobicContact CG2-CD1 3.9Å; I1770-F1776 HydrophobicContact CG2-CE1 3.57Å; D1773-F1776 HydrophobicContact CB-CB 3.89Å; D1773-F1776 PolarHBondContact O-N 3.19Å; D1773-F1776 PolarHBondContact OD1-N 2.85Å; F1776-T1778 VanDerWaalsContact C-N 3.31Å; F1776-T1778 PolarHBondContact O-N 2.97Å; F1776-Q1779 PolarHBondContact O-N 3.49Å; F1776-L1780 HydrophobicContact CE1-CD2 3.71Å; F1776-L1780 HydrophobicContact CE2-CD1 4.13Å; F1776-L1780 HydrophobicContact CZ-CD1 3.91Å; F1776-L1780 HydrophobicContact CZ-CD2 3.8Å; F1776-L1780 HydrophobicContact CZ-CG 4.37Å; F1776-L1780 WeakPolarHBondContact O-CB 3.45Å; F1776-L1780 PolarHBondContact O-N 3.44Å
1777	Q	59.8	Low	56.1	Low	13 Å²	13	50.1 Å²	50.1	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-37.5	178.2	-68.8	-150.2	-58.9	0	0	113	I1770 S1771 D1773 A1781 L1788 L1791	I1770-Q1777 WeakPolarHBondContact O-CG 3.41Å; S1771-Q1777 PolarHBondContact O-OE1 3.32Å; D1773-Q1777 PolarHBondContact O-N 2.73Å; Q1777-A1781 WeakPolarHBondContact O-CB 3.33Å; Q1777-A1781 PolarHBondContact O-N 3.36Å; Q1777-L1788 HydrophobicContact CB-CD1 3.91Å; Q1777-L1791 HydrophobicContact CB-CD1 4.28Å; Q1777-L1791 WeakPolarHBondContact O-CD1 3.44Å
1778	T	62.2	Low	55.4	Low	65 Å²	65	53.3 Å²	53.3	40%	0.399	29%	0.289	S	S	.	.	H	α-helix	trans	-69.8	-40.3	177.9	-61	0	0	0	0	111.4	T1774 S1775 F1776 Q1782	T1774-T1778 WeakPolarHBondContact O-CB 3.34Å; T1774-T1778 PolarHBondContact O-N 2.86Å; T1774-T1778 PolarHBondContact O-OG1 2.8Å; S1775-T1778 PolarHBondContact O-N 3.41Å; F1776-T1778 VanDerWaalsContact C-N 3.31Å; F1776-T1778 PolarHBondContact O-N 2.97Å; T1778-Q1782 WeakPolarHBondContact O-CB 3.21Å; T1778-Q1782 WeakPolarHBondContact O-CG 3.06Å; T1778-Q1782 PolarHBondContact O-N 2.62Å
1779	Q	62.2	Low	54.6	Low	70 Å²	70	58 Å²	58	33%	0.327	31%	0.308	S	S	.	.	H	α-helix	trans	-74.2	-31.4	178	-67.8	177.2	-80.2	0	0	112.3	W1744 S1775 F1776 Q1782 S1783	W1744-Q1779 HydrophobicContact CD2-CB 4.16Å; W1744-Q1779 HydrophobicContact CE3-CB 4.17Å; W1744-Q1779 HydrophobicContact CH2-CB 3.41Å; W1744-Q1779 VanDerWaalsContact CH2-CB 3.41Å; W1744-Q1779 HydrophobicContact CZ2-CB 3.36Å; W1744-Q1779 HydrophobicContact CZ2-CG 4.35Å; W1744-Q1779 HydrophobicContact CZ3-CB 3.82Å; S1775-Q1779 WeakPolarHBondContact O-CB 3.37Å; S1775-Q1779 WeakPolarHBondContact O-CG 3.39Å; S1775-Q1779 PolarHBondContact O-N 3.12Å; S1775-Q1779 PolarHBondContact O-OE1 2.97Å; F1776-Q1779 PolarHBondContact O-N 3.49Å; Q1779-Q1782 PolarHBondContact O-N 3.19Å; Q1779-S1783 WeakPolarHBondContact O-CB 3.42Å; Q1779-S1783 PolarHBondContact O-N 3Å; Q1779-S1783 PolarHBondContact O-OG 3.36Å
1780	L	57.4	Low	53.7	Low	1 Å²	1	59.9 Å²	59.9	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-72.1	-40.3	172.1	-153.3	74.4	0	0	0	111.1	W1744 F1776 Q1782 S1783 Y1784 L1791 V1794 Q1795 F1798	W1744-L1780 HydrophobicContact CH2-CB 4.46Å; W1744-L1780 HydrophobicContact CH2-CD1 4.26Å; F1776-L1780 HydrophobicContact CE1-CD2 3.71Å; F1776-L1780 HydrophobicContact CE2-CD1 4.13Å; F1776-L1780 HydrophobicContact CZ-CD1 3.91Å; F1776-L1780 HydrophobicContact CZ-CD2 3.8Å; F1776-L1780 HydrophobicContact CZ-CG 4.37Å; F1776-L1780 WeakPolarHBondContact O-CB 3.45Å; F1776-L1780 PolarHBondContact O-N 3.44Å; L1780-Q1782 VanDerWaalsContact C-N 3.29Å; L1780-Q1782 PolarHBondContact O-N 2.82Å; L1780-S1783 PolarHBondContact O-N 3.07Å; L1780-S1783 PolarHBondContact O-OG 2.95Å; L1780-Y1784 HydrophobicContact CD1-CD2 3.76Å; L1780-Y1784 HydrophobicContact CD1-CE2 3.53Å; L1780-Y1784 HydrophobicContact CG-CD2 3.84Å; L1780-Y1784 HydrophobicContact CG-CE2 4.11Å; L1780-Y1784 WeakPolarHBondContact O-CB 3.28Å; L1780-Y1784 WeakPolarHBondContact O-CD2 3.44Å; L1780-Y1784 PolarHBondContact O-N 3.45Å; L1780-L1791 HydrophobicContact CB-CD1 4.28Å; L1780-L1791 HydrophobicContact CB-CD2 4.03Å; L1780-L1791 HydrophobicContact CD2-CD2 3.93Å; L1780-L1791 HydrophobicContact CG-CD2 3.85Å; L1780-V1794 HydrophobicContact CD1-CG1 4.39Å; L1780-V1794 HydrophobicContact CD2-CG1 4.08Å; L1780-V1794 HydrophobicContact CG-CG1 4.24Å; L1780-Q1795 HydrophobicContact CD2-CG 3.85Å; L1780-F1798 HydrophobicContact CD1-CE2 4.01Å; L1780-F1798 HydrophobicContact CD1-CZ 4.47Å
1781	A	51.5	Low	53	Low	22 Å²	22	59.9 Å²	59.9	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-39.6	170.2	0	0	0	0	0	111.5	Q1777 Q1785 V1786 L1791	Q1777-A1781 WeakPolarHBondContact O-CB 3.33Å; Q1777-A1781 PolarHBondContact O-N 3.36Å; A1781-Q1785 WeakPolarHBondContact O-CA 3.47Å; A1781-Q1785 PolarHBondContact O-N 3.43Å; A1781-V1786 WeakPolarHBondContact CB-O 3.15Å; A1781-V1786 PolarHBondContact O-N 2.88Å; A1781-L1791 HydrophobicContact CB-CD1 4.08Å
1782	Q	57.7	Low	52.3	Low	136 Å²	136	59.2 Å²	59.2	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-71.6	-40.1	177	-75.2	169.9	11.2	0	0	112.9	T1778 Q1779 L1780	T1778-Q1782 WeakPolarHBondContact O-CB 3.21Å; T1778-Q1782 WeakPolarHBondContact O-CG 3.06Å; T1778-Q1782 PolarHBondContact O-N 2.62Å; Q1779-Q1782 PolarHBondContact O-N 3.19Å; L1780-Q1782 VanDerWaalsContact C-N 3.29Å; L1780-Q1782 PolarHBondContact O-N 2.82Å
1783	S	48.5	Very low	51.3	Low	42 Å²	42	56.1 Å²	56.1	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-78.2	-37.7	-179.2	63.6	0	0	0	0	113.3	H1745 Q1779 L1780	H1745-S1783 WeakPolarHBondContact NE2-CB 3.39Å; H1745-S1783 PolarHBondContact NE2-OG 3.15Å; Q1779-S1783 WeakPolarHBondContact O-CB 3.42Å; Q1779-S1783 PolarHBondContact O-N 3Å; Q1779-S1783 PolarHBondContact O-OG 3.36Å; L1780-S1783 PolarHBondContact O-N 3.07Å; L1780-S1783 PolarHBondContact O-OG 2.95Å
1784	Y	39.1	Very low	50.3	Low	95 Å²	95	56 Å²	56	37%	0.373	31%	0.305	S	S	.	.	H	α-helix	trans	-91.1	-4.3	177.1	-70.5	-94.1	0	0	0	114	L1780 V1786 V1794 F1798	L1780-Y1784 HydrophobicContact CD1-CD2 3.76Å; L1780-Y1784 HydrophobicContact CD1-CE2 3.53Å; L1780-Y1784 HydrophobicContact CG-CD2 3.84Å; L1780-Y1784 HydrophobicContact CG-CE2 4.11Å; L1780-Y1784 WeakPolarHBondContact O-CB 3.28Å; L1780-Y1784 WeakPolarHBondContact O-CD2 3.44Å; L1780-Y1784 PolarHBondContact O-N 3.45Å; Y1784-V1786 PolarHBondContact O-N 3.41Å; Y1784-V1794 HydrophobicContact CD1-CB 4.39Å; Y1784-V1794 HydrophobicContact CD1-CG1 3.69Å; Y1784-V1794 HydrophobicContact CD1-CG2 3.73Å; Y1784-V1794 HydrophobicContact CD2-CG1 3.68Å; Y1784-V1794 HydrophobicContact CE1-CG1 3.54Å; Y1784-V1794 HydrophobicContact CE1-CG2 4.19Å; Y1784-V1794 HydrophobicContact CE2-CG1 3.53Å; Y1784-V1794 HydrophobicContact CG-CG1 3.77Å; Y1784-V1794 HydrophobicContact CG-CG2 4.04Å; Y1784-V1794 VanDerWaalsContact CZ-CG1 3.46Å; Y1784-F1798 HydrophobicContact CE2-CE2 4.11Å; Y1784-F1798 WeakPolarHBondContact OH-CE2 3.33Å
1785	Q	36	Very low	49.8	Very low	102 Å²	102	52.9 Å²	52.9	48%	0.477	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	51.6	177.9	-66.9	171.7	62.8	0	0	112.9	A1781 Y1981	A1781-Q1785 WeakPolarHBondContact O-CA 3.47Å; A1781-Q1785 PolarHBondContact O-N 3.43Å; Q1785-Y1981 WeakPolarHBondContact O-CE1 3.41Å; Q1785-Y1981 PolarHBondContact O-OH 2.98Å
1786	V	41.7	Very low	49.4	Very low	28 Å²	28	56 Å²	56	17%	0.17	29%	0.29	C	S	.	.			trans	-135.6	153.7	-179	-86.2	0	0	0	0	111.5	A1781 Y1784 Q1790 L1791 Y1981	A1781-V1786 WeakPolarHBondContact CB-O 3.15Å; A1781-V1786 PolarHBondContact O-N 2.88Å; Y1784-V1786 PolarHBondContact O-N 3.41Å; V1786-Q1790 HydrophobicContact CB-CB 3.85Å; V1786-Q1790 HydrophobicContact CG1-CB 4.09Å; V1786-L1791 HydrophobicContact CG2-CD2 3.47Å; V1786-L1791 VanDerWaalsContact CG2-CD2 3.47Å; V1786-L1791 HydrophobicContact CG2-CG 4.1Å; V1786-Y1981 HydrophobicContact CG1-CE1 4.15Å
1787	G	45.3	Very low	48.5	Very low	26 Å²	26	59.5 Å²	59.5	27%	0.268	31%	0.308	S	S	.	.			trans	-66.1	160.7	172.6	0	0	0	0	0	112.6	E1789 Q1790 L1791	G1787-E1789 PolarHBondContact O-N 3.28Å; G1787-Q1790 WeakPolarHBondContact O-CA 3.31Å; G1787-Q1790 WeakPolarHBondContact O-CB 3.39Å; G1787-Q1790 PolarHBondContact O-N 3Å; G1787-L1791 PolarHBondContact O-N 3.27Å
1788	L	43.4	Very low	48.2	Very low	101 Å²	101	59.8 Å²	59.8	53%	0.529	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-52.7	-42.7	-176.4	-143.5	85.4	0	0	0	112.6	Q1777 Q1790 L1791	Q1777-L1788 HydrophobicContact CB-CD1 3.91Å; L1788-Q1790 PolarHBondContact O-N 3.14Å; L1788-L1791 PolarHBondContact O-N 2.9Å
1789	E	43.8	Very low	47.8	Very low	183 Å²	183	56.7 Å²	56.7	86%	0.855	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66.7	-22.4	178.8	-61.6	171.1	-172.9	0	0	113.6	G1787	G1787-E1789 PolarHBondContact O-N 3.28Å
1790	Q	45.2	Very low	47.3	Very low	61 Å²	61	54.4 Å²	54.4	29%	0.285	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-97	-2.3	-174.3	-65.9	156.8	6	0	0	112.5	V1786 G1787 L1788 A1792 P1793 Y1981	V1786-Q1790 HydrophobicContact CB-CB 3.85Å; V1786-Q1790 HydrophobicContact CG1-CB 4.09Å; G1787-Q1790 WeakPolarHBondContact O-CA 3.31Å; G1787-Q1790 WeakPolarHBondContact O-CB 3.39Å; G1787-Q1790 PolarHBondContact O-N 3Å; L1788-Q1790 PolarHBondContact O-N 3.14Å; Q1790-A1792 VanDerWaalsContact C-N 3.34Å; Q1790-P1793 WeakPolarHBondContact O-CD 3.49Å; Q1790-Y1981 VanDerWaalsContact OE1-CD1 3.22Å
1791	L	49.8	Very low	47.4	Very low	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.297	C	S	.	.			trans	-76.1	-17.9	175.9	-73.4	172.1	0	0	0	113.8	Q1777 L1780 A1781 V1786 G1787 L1788 P1793 V1794 Q1795	Q1777-L1791 HydrophobicContact CB-CD1 4.28Å; Q1777-L1791 WeakPolarHBondContact O-CD1 3.44Å; L1780-L1791 HydrophobicContact CB-CD1 4.28Å; L1780-L1791 HydrophobicContact CB-CD2 4.03Å; L1780-L1791 HydrophobicContact CD2-CD2 3.93Å; L1780-L1791 HydrophobicContact CG-CD2 3.85Å; A1781-L1791 HydrophobicContact CB-CD1 4.08Å; V1786-L1791 HydrophobicContact CG2-CD2 3.47Å; V1786-L1791 VanDerWaalsContact CG2-CD2 3.47Å; V1786-L1791 HydrophobicContact CG2-CG 4.1Å; G1787-L1791 PolarHBondContact O-N 3.27Å; L1788-L1791 PolarHBondContact O-N 2.9Å; L1791-P1793 VanDerWaalsContact C-CD 3.48Å; L1791-V1794 WeakPolarHBondContact O-CA 3.36Å; L1791-V1794 WeakPolarHBondContact O-CB 3.48Å; L1791-V1794 PolarHBondContact O-N 3.33Å; L1791-Q1795 HydrophobicContact CB-CG 4.3Å; L1791-Q1795 WeakPolarHBondContact O-CG 3.28Å; L1791-Q1795 PolarHBondContact O-N 3.34Å
1792	A	45.5	Very low	47.8	Very low	36 Å²	36	55.9 Å²	55.9	30%	0.298	29%	0.291	S	S	.	.	H	α-helix	trans	-53.5	-40.2	-174.2	0	0	0	0	0	114.8	Q1790 R1796	Q1790-A1792 VanDerWaalsContact C-N 3.34Å; A1792-R1796 WeakPolarHBondContact O-CG 3.38Å; A1792-R1796 PolarHBondContact O-N 3.43Å; A1792-R1796 VanDerWaalsContact O-N 3.14Å
1793	P	39.9	Very low	47.8	Very low	54 Å²	54	50.9 Å²	50.9	35%	0.351	27%	0.273	S	S	.	.	H	α-helix	trans	-66.6	-35.4	173.7	-19.8	33.9	0	0	0	113.1	Q1790 L1791 I1797 F1985	Q1790-P1793 WeakPolarHBondContact O-CD 3.49Å; L1791-P1793 VanDerWaalsContact C-CD 3.48Å; P1793-I1797 WeakPolarHBondContact O-CG1 3.49Å; P1793-I1797 PolarHBondContact O-N 2.8Å; P1793-F1985 HydrophobicContact CB-CE1 4.24Å; P1793-F1985 HydrophobicContact CG-CE1 4.22Å; P1793-F1985 HydrophobicContact CG-CZ 4.3Å
1794	V	42.2	Very low	48.1	Very low	18 Å²	18	55.7 Å²	55.7	11%	0.109	28%	0.284	C	S	.	.	H	α-helix	trans	-70.4	-44.5	178.4	178.8	0	0	0	0	110.8	L1780 Y1784 L1791 R1796 I1797 F1798	L1780-V1794 HydrophobicContact CD1-CG1 4.39Å; L1780-V1794 HydrophobicContact CD2-CG1 4.08Å; L1780-V1794 HydrophobicContact CG-CG1 4.24Å; Y1784-V1794 HydrophobicContact CD1-CB 4.39Å; Y1784-V1794 HydrophobicContact CD1-CG1 3.69Å; Y1784-V1794 HydrophobicContact CD1-CG2 3.73Å; Y1784-V1794 HydrophobicContact CD2-CG1 3.68Å; Y1784-V1794 HydrophobicContact CE1-CG1 3.54Å; Y1784-V1794 HydrophobicContact CE1-CG2 4.19Å; Y1784-V1794 HydrophobicContact CE2-CG1 3.53Å; Y1784-V1794 HydrophobicContact CG-CG1 3.77Å; Y1784-V1794 HydrophobicContact CG-CG2 4.04Å; Y1784-V1794 VanDerWaalsContact CZ-CG1 3.46Å; L1791-V1794 WeakPolarHBondContact O-CA 3.36Å; L1791-V1794 WeakPolarHBondContact O-CB 3.48Å; L1791-V1794 PolarHBondContact O-N 3.33Å; V1794-R1796 VanDerWaalsContact C-N 3.29Å; V1794-R1796 PolarHBondContact O-N 2.87Å; V1794-I1797 WeakPolarHBondContact O-CB 3.26Å; V1794-I1797 PolarHBondContact O-N 3.26Å; V1794-F1798 HydrophobicContact CG1-CD2 4.42Å; V1794-F1798 HydrophobicContact CG1-CE2 4.18Å; V1794-F1798 PolarHBondContact O-N 3.4Å
1795	Q	52.7	Low	49	Very low	12 Å²	12	54.8 Å²	54.8	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-44.3	175.4	-67.2	169.8	-36.9	0	0	110.4	L1767 I1770 L1780 L1791 I1797 F1798 I1799	L1767-Q1795 HydrophobicContact CD2-CB 4.27Å; I1770-Q1795 HydrophobicContact CG2-CB 4.05Å; I1770-Q1795 VanDerWaalsContact CG2-CD 3.49Å; I1770-Q1795 HydrophobicContact CG2-CG 3.57Å; L1780-Q1795 HydrophobicContact CD2-CG 3.85Å; L1791-Q1795 HydrophobicContact CB-CG 4.3Å; L1791-Q1795 WeakPolarHBondContact O-CG 3.28Å; L1791-Q1795 PolarHBondContact O-N 3.34Å; Q1795-I1797 PolarHBondContact O-N 3.32Å; Q1795-F1798 PolarHBondContact O-N 2.91Å; Q1795-I1799 WeakPolarHBondContact O-CB 3.43Å; Q1795-I1799 VanDerWaalsContact O-CG1 3.27Å; Q1795-I1799 WeakPolarHBondContact O-CG1 3.31Å; Q1795-I1799 PolarHBondContact O-N 2.81Å
1796	R	52.2	Low	49.9	Very low	109 Å²	109	58.3 Å²	58.3	41%	0.411	30%	0.3	S	S	.	.	H	α-helix	trans	-59.5	-25.6	173.2	-72.2	178.7	-166.3	-171.8	5.7	114.5	A1792 V1794 G1800 N1814	A1792-R1796 WeakPolarHBondContact O-CG 3.38Å; A1792-R1796 PolarHBondContact O-N 3.43Å; A1792-R1796 VanDerWaalsContact O-N 3.14Å; V1794-R1796 VanDerWaalsContact C-N 3.29Å; V1794-R1796 PolarHBondContact O-N 2.87Å; R1796-G1800 WeakPolarHBondContact O-CA 3.42Å; R1796-G1800 PolarHBondContact O-N 3.02Å; R1796-N1814 PolarHBondContact NH2-ND2 3.26Å
1797	I	43.3	Very low	50.5	Low	76 Å²	76	58.9 Å²	58.9	39%	0.39	30%	0.302	S	S	.	.	H	α-helix	trans	-74.3	-42.4	176	-67.2	165.8	0	0	0	111.2	P1793 V1794 Q1795 G1800 N1801	P1793-I1797 WeakPolarHBondContact O-CG1 3.49Å; P1793-I1797 PolarHBondContact O-N 2.8Å; V1794-I1797 WeakPolarHBondContact O-CB 3.26Å; V1794-I1797 PolarHBondContact O-N 3.26Å; Q1795-I1797 PolarHBondContact O-N 3.32Å; I1797-G1800 PolarHBondContact O-N 2.79Å; I1797-N1801 PolarHBondContact O-N 2.84Å; I1797-N1801 PolarHBondContact O-ND2 2.67Å
1798	F	51.9	Low	50.9	Low	18 Å²	18	58.3 Å²	58.3	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-45.2	174.1	-76.9	-91.8	0	0	0	111.3	R1749 L1780 Y1784 V1794 Q1795 N1801 L1802	R1749-F1798 HydrophobicContact CG-CD1 4.27Å; R1749-F1798 HydrophobicContact CG-CE1 3.95Å; L1780-F1798 HydrophobicContact CD1-CE2 4.01Å; L1780-F1798 HydrophobicContact CD1-CZ 4.47Å; Y1784-F1798 HydrophobicContact CE2-CE2 4.11Å; Y1784-F1798 WeakPolarHBondContact OH-CE2 3.33Å; V1794-F1798 HydrophobicContact CG1-CD2 4.42Å; V1794-F1798 HydrophobicContact CG1-CE2 4.18Å; V1794-F1798 PolarHBondContact O-N 3.4Å; Q1795-F1798 PolarHBondContact O-N 2.91Å; F1798-N1801 PolarHBondContact O-N 2.84Å; F1798-L1802 WeakPolarHBondContact O-CG 3.46Å; F1798-L1802 PolarHBondContact O-N 3.34Å
1799	I	55.5	Low	50.9	Low	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-43.4	176.9	-65.8	179.7	0	0	0	110.9	E1763 L1766 L1767 I1770 Q1795 N1801 L1802 A1803 L1808	E1763-I1799 HydrophobicContact CB-CG2 4.38Å; E1763-I1799 HydrophobicContact CG-CG2 3.93Å; L1766-I1799 HydrophobicContact CB-CD1 4.5Å; L1766-I1799 HydrophobicContact CD2-CD1 4.37Å; L1766-I1799 HydrophobicContact CD2-CG1 3.8Å; L1766-I1799 HydrophobicContact CG-CD1 4.25Å; L1766-I1799 HydrophobicContact CG-CG1 4.19Å; L1767-I1799 HydrophobicContact CB-CD1 4.37Å; L1767-I1799 HydrophobicContact CD2-CD1 3.48Å; L1767-I1799 VanDerWaalsContact CD2-CD1 3.48Å; L1767-I1799 HydrophobicContact CG-CD1 3.52Å; I1770-I1799 HydrophobicContact CD1-CD1 4.19Å; I1770-I1799 HydrophobicContact CD1-CG1 4.14Å; Q1795-I1799 WeakPolarHBondContact O-CB 3.43Å; Q1795-I1799 VanDerWaalsContact O-CG1 3.27Å; Q1795-I1799 WeakPolarHBondContact O-CG1 3.31Å; Q1795-I1799 PolarHBondContact O-N 2.81Å; I1799-N1801 VanDerWaalsContact C-N 3.27Å; I1799-N1801 PolarHBondContact O-N 3.5Å; I1799-L1802 PolarHBondContact O-N 3.13Å; I1799-L1802 VanDerWaalsContact O-N 3.15Å; I1799-A1803 WeakPolarHBondContact O-CB 3.17Å; I1799-A1803 PolarHBondContact O-N 3.45Å; I1799-L1808 HydrophobicContact CB-CD1 4.49Å; I1799-L1808 HydrophobicContact CG2-CD1 3.64Å; I1799-L1808 WeakPolarHBondContact O-CD1 3.48Å
1800	G	50.7	Low	50.4	Low	23 Å²	23	56 Å²	56	24%	0.237	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-27.5	175.2	0	0	0	0	0	114.1	R1796 I1797 R1804	R1796-G1800 WeakPolarHBondContact O-CA 3.42Å; R1796-G1800 PolarHBondContact O-N 3.02Å; I1797-G1800 PolarHBondContact O-N 2.79Å; G1800-R1804 WeakPolarHBondContact O-CG 3.44Å; G1800-R1804 PolarHBondContact O-N 2.83Å
1801	N	58.7	Low	49.6	Very low	45 Å²	45	60.6 Å²	60.6	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-75.1	-43.1	170.1	-72.2	-27.2	0	0	0	111.6	I1797 F1798 I1799 A1803 R1804 E1805	I1797-N1801 PolarHBondContact O-N 2.84Å; I1797-N1801 PolarHBondContact O-ND2 2.67Å; F1798-N1801 PolarHBondContact O-N 2.84Å; I1799-N1801 VanDerWaalsContact C-N 3.27Å; I1799-N1801 PolarHBondContact O-N 3.5Å; N1801-A1803 VanDerWaalsContact C-N 3.26Å; N1801-A1803 PolarHBondContact O-N 2.79Å; N1801-R1804 WeakPolarHBondContact O-CB 3.12Å; N1801-R1804 PolarHBondContact O-N 3.03Å; N1801-R1804 VanDerWaalsContact O-N 3.1Å; N1801-R1804 PolarHBondContact OD1-NH1 3.43Å; N1801-E1805 WeakPolarHBondContact O-CG 3.2Å; N1801-E1805 PolarHBondContact O-N 2.72Å
1802	L	61.1	Low	48.7	Very low	9 Å²	9	69.1 Å²	69.1	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-33.5	174.4	-66.6	165	0	0	0	112.3	L1752 R1753 L1766 F1798 I1799 E1805 Q1806 L1807 L1808	L1752-L1802 HydrophobicContact CB-CD1 4.17Å; R1753-L1802 HydrophobicContact CG-CD2 3.66Å; L1766-L1802 HydrophobicContact CD2-CD1 3.68Å; F1798-L1802 WeakPolarHBondContact O-CG 3.46Å; F1798-L1802 PolarHBondContact O-N 3.34Å; I1799-L1802 PolarHBondContact O-N 3.13Å; I1799-L1802 VanDerWaalsContact O-N 3.15Å; L1802-E1805 CarbonylContact O-C 3.57Å; L1802-E1805 PolarHBondContact O-N 2.94Å; L1802-Q1806 PolarHBondContact O-N 3.04Å; L1802-L1807 HydrophobicContact CD2-CD1 3.82Å; L1802-L1807 WeakPolarHBondContact O-CB 3.24Å; L1802-L1807 PolarHBondContact O-N 3.37Å; L1802-L1808 HydrophobicContact CB-CD1 3.86Å; L1802-L1808 HydrophobicContact CB-CG 4.22Å
1803	A	57	Low	47.8	Very low	31 Å²	31	70.2 Å²	70.2	26%	0.256	33%	0.326	S	S	.	.	H	α-helix	trans	-69.4	-36.4	172.4	0	0	0	0	0	113	I1799 N1801 E1805 Q1806 L1808	I1799-A1803 WeakPolarHBondContact O-CB 3.17Å; I1799-A1803 PolarHBondContact O-N 3.45Å; N1801-A1803 VanDerWaalsContact C-N 3.26Å; N1801-A1803 PolarHBondContact O-N 2.79Å; A1803-E1805 VanDerWaalsContact C-N 3.3Å; A1803-Q1806 PolarHBondContact O-N 3.38Å; A1803-L1808 HydrophobicContact CB-CD1 4.36Å
1804	R	55.5	Low	47.3	Very low	143 Å²	143	73.3 Å²	73.3	54%	0.54	34%	0.34	S	S	.	.	H	α-helix	trans	-67.6	-30.5	170.6	-71.9	172.3	-161.2	146.2	8.5	112.5	G1800 N1801 Q1806	G1800-R1804 WeakPolarHBondContact O-CG 3.44Å; G1800-R1804 PolarHBondContact O-N 2.83Å; N1801-R1804 WeakPolarHBondContact O-CB 3.12Å; N1801-R1804 PolarHBondContact O-N 3.03Å; N1801-R1804 VanDerWaalsContact O-N 3.1Å; N1801-R1804 PolarHBondContact OD1-NH1 3.43Å; R1804-Q1806 PolarHBondContact O-N 3.33Å
1805	E	58	Low	47.1	Very low	75 Å²	75	78.3 Å²	78.3	35%	0.35	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	7.3	172.9	-67.9	169.8	-155.1	0	0	113	R1753 N1801 L1802 A1803 L1807	R1753-E1805 IonicContact CZ-OE1 2.68Å; R1753-E1805 IonicContact CZ-OE2 3.32Å; R1753-E1805 IonicContact NE-OE1 3.09Å; R1753-E1805 PolarHBondContact NE-OE1 2.83Å; R1753-E1805 IonicContact NE-OE2 3.13Å; R1753-E1805 PolarHBondContact NE-OE2 2.88Å; R1753-E1805 VanDerWaalsContact NH2-CD 3.33Å; R1753-E1805 IonicContact NH2-OE1 3.32Å; R1753-E1805 PolarHBondContact NH2-OE1 3.28Å; R1753-E1805 IonicContact NH2-OE2 3.12Å; R1753-E1805 PolarHBondContact NH2-OE2 3.17Å; N1801-E1805 WeakPolarHBondContact O-CG 3.2Å; N1801-E1805 PolarHBondContact O-N 2.72Å; L1802-E1805 CarbonylContact O-C 3.57Å; L1802-E1805 PolarHBondContact O-N 2.94Å; A1803-E1805 VanDerWaalsContact C-N 3.3Å; E1805-L1807 HydrophobicContact CB-CD1 4.11Å; E1805-L1807 HydrophobicContact CB-CG 3.99Å; E1805-L1807 PolarHBondContact O-N 3.13Å
1806	Q	54.1	Low	47	Very low	177 Å²	177	79.8 Å²	79.8	83%	0.827	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	22.4	-177.8	-61.3	-175.3	-16.9	0	0	114.7	L1802 A1803 R1804	L1802-Q1806 PolarHBondContact O-N 3.04Å; A1803-Q1806 PolarHBondContact O-N 3.38Å; R1804-Q1806 PolarHBondContact O-N 3.33Å
1807	L	55.4	Low	47.2	Very low	40 Å²	40	76.9 Å²	76.9	21%	0.209	36%	0.364	C	S	.	.			trans	-85.3	-19.3	-177	-60.6	179.3	0	0	0	113.4	R1753 V1756 K1757 L1802 E1805	R1753-L1807 HydrophobicContact CB-CD1 4.4Å; R1753-L1807 HydrophobicContact CG-CD1 4.07Å; V1756-L1807 HydrophobicContact CB-CB 4.41Å; V1756-L1807 HydrophobicContact CG1-CB 3.65Å; V1756-L1807 WeakPolarHBondContact CG1-O 3.21Å; K1757-L1807 HydrophobicContact CG-CD2 3.8Å; L1802-L1807 HydrophobicContact CD2-CD1 3.82Å; L1802-L1807 WeakPolarHBondContact O-CB 3.24Å; L1802-L1807 PolarHBondContact O-N 3.37Å; E1805-L1807 HydrophobicContact CB-CD1 4.11Å; E1805-L1807 HydrophobicContact CB-CG 3.99Å; E1805-L1807 PolarHBondContact O-N 3.13Å
1808	L	52.5	Low	48.2	Very low	13 Å²	13	77.3 Å²	77.3	7%	0.068	37%	0.371	C	S	.	.	S	Bend	trans	-111.5	139.5	-175	-66.9	170.6	0	0	0	113.2	V1756 I1761 L1766 I1799 L1802 A1803 Q1810	V1756-L1808 HydrophobicContact CG1-CD2 3.65Å; V1756-L1808 HydrophobicContact CG1-CG 4.21Å; V1756-L1808 HydrophobicContact CG2-CD2 4.23Å; I1761-L1808 VanDerWaalsContact O-CD2 3.27Å; I1761-L1808 WeakPolarHBondContact O-CD2 3.27Å; L1766-L1808 HydrophobicContact CB-CD2 4.22Å; L1766-L1808 HydrophobicContact CD2-CD1 3.94Å; L1766-L1808 HydrophobicContact CD2-CD2 3.8Å; L1766-L1808 HydrophobicContact CD2-CG 4.43Å; I1799-L1808 HydrophobicContact CB-CD1 4.49Å; I1799-L1808 HydrophobicContact CG2-CD1 3.64Å; I1799-L1808 WeakPolarHBondContact O-CD1 3.48Å; L1802-L1808 HydrophobicContact CB-CD1 3.86Å; L1802-L1808 HydrophobicContact CB-CG 4.22Å; A1803-L1808 HydrophobicContact CB-CD1 4.36Å; L1808-Q1810 PolarHBondContact O-N 3.47Å
1809	E	43.4	Very low	49.1	Very low	90 Å²	90	77.7 Å²	77.7	42%	0.421	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-67.4	122.2	171.9	-166.5	-171.2	-108.4	0	0	110.1	T1762 R1811	T1762-E1809 HydrophobicContact CG2-CB 4.35Å; E1809-R1811 PolarHBondContact O-N 2.69Å; E1809-R1811 IonicContact OE2-CZ 2.72Å; E1809-R1811 VanDerWaalsContact OE2-CZ 3.31Å; E1809-R1811 IonicContact OE2-NE 3.66Å; E1809-R1811 PolarHBondContact OE2-NE 3.34Å; E1809-R1811 IonicContact OE2-NH2 2.92Å; E1809-R1811 PolarHBondContact OE2-NH2 2.89Å
1810	Q	33.6	Very low	50.2	Low	147 Å²	147	79.6 Å²	79.6	69%	0.687	38%	0.38	S	S	*	.			trans	-76.1	88.6	-170.8	-67.6	-166.5	18.3	0	0	113.4	L1808	L1808-Q1810 PolarHBondContact O-N 3.47Å
1811	R	29.4	Very low	51.3	Low	156 Å²	156	82.7 Å²	82.7	59%	0.589	39%	0.389	S	S	*	.			trans	-116.1	85.5	165.4	-61.8	-169.9	-165.7	-155.7	3.1	110.9	E1809 L1813	E1809-R1811 PolarHBondContact O-N 2.69Å; E1809-R1811 IonicContact OE2-CZ 2.72Å; E1809-R1811 VanDerWaalsContact OE2-CZ 3.31Å; E1809-R1811 IonicContact OE2-NE 3.66Å; E1809-R1811 PolarHBondContact OE2-NE 3.34Å; E1809-R1811 IonicContact OE2-NH2 2.92Å; E1809-R1811 PolarHBondContact OE2-NH2 2.89Å; R1811-L1813 PolarHBondContact O-N 2.99Å
1812	R	30.4	Very low	52.1	Low	180 Å²	180	87.2 Å²	87.2	68%	0.679	40%	0.402	S	S	*	.			trans	-55.1	123.6	-174.4	-67.7	164.9	167.6	-142.8	7.4	112.7	H1815	R1812-H1815 PolarHBondContact NH1-NE2 2.87Å
1813	L	26.2	Very low	53	Low	59 Å²	59	86.8 Å²	86.8	31%	0.309	40%	0.4	S	S	.	.			trans	-113.1	140.1	178.1	-84.3	148.7	0	0	0	113.4	Q1764 R1811	Q1764-L1813 HydrophobicContact CB-CD1 3.61Å; Q1764-L1813 HydrophobicContact CG-CD1 3.69Å; R1811-L1813 PolarHBondContact O-N 2.99Å
1814	N	29	Very low	54.3	Low	119 Å²	119	85.8 Å²	85.8	64%	0.636	39%	0.39	S	S	*	.			trans	61	57.7	174	-60.4	-55.5	0	0	0	116.3	R1796	R1796-N1814 PolarHBondContact NH2-ND2 3.26Å
1815	H	38.9	Very low	55.4	Low	122 Å²	122	82.1 Å²	82.1	57%	0.565	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-74.8	134.5	158.3	-73.7	-52.9	0	0	0	111.3	R1812 T1817	R1812-H1815 PolarHBondContact NH1-NE2 2.87Å; H1815-T1817 PolarHBondContact O-N 3.37Å
1816	L	49.4	Very low	56.4	Low	43 Å²	43	80.8 Å²	80.8	23%	0.225	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-56.2	121.1	143.9	-90.4	168.4	0	0	0	106	Q1820 Q1821 L1955	L1816-Q1820 HydrophobicContact CD2-CB 4.06Å; L1816-Q1821 HydrophobicContact CB-CG 4.24Å; L1816-L1955 HydrophobicContact CD1-CD2 3.68Å; L1816-L1955 HydrophobicContact CD1-CG 4.25Å
1817	T	57	Low	57.8	Low	48 Å²	48	72.4 Å²	72.4	29%	0.294	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-64	150.8	-179.2	59.6	0	0	0	0	109.9	H1815 W1819 Q1820 Q1821	H1815-T1817 PolarHBondContact O-N 3.37Å; T1817-W1819 PolarHBondContact O-N 3.07Å; T1817-W1819 VanDerWaalsContact OG1-CE2 3.29Å; T1817-W1819 VanDerWaalsContact OG1-CG 3.26Å; T1817-W1819 PolarHBondContact OG1-NE1 3.29Å; T1817-Q1820 WeakPolarHBondContact O-CB 3.06Å; T1817-Q1820 PolarHBondContact O-N 3.05Å; T1817-Q1820 VanDerWaalsContact OG1-CD 3.28Å; T1817-Q1820 WeakPolarHBondContact OG1-CG 3.17Å; T1817-Q1820 PolarHBondContact OG1-N 3.33Å; T1817-Q1821 PolarHBondContact O-N 3.08Å; T1817-Q1821 VanDerWaalsContact O-N 3.1Å
1818	T	64.8	Low	59.1	Low	86 Å²	86	70.6 Å²	70.6	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-59.6	-23.1	179.2	54	0	0	0	0	112.4	R1822	T1818-R1822 WeakPolarHBondContact O-CG 3.29Å; T1818-R1822 PolarHBondContact O-N 2.79Å
1819	W	71.4	Confident	60.3	Low	25 Å²	25	71.6 Å²	71.6	10%	0.095	33%	0.328	C	S	.	.	H	α-helix	trans	-72.6	-40.6	170.8	77.3	-112.7	0	0	0	113.2	T1817 Q1821 R1822 E1823 F1855 Y1859 I1861 L1866 W1869	T1817-W1819 PolarHBondContact O-N 3.07Å; T1817-W1819 VanDerWaalsContact OG1-CE2 3.29Å; T1817-W1819 VanDerWaalsContact OG1-CG 3.26Å; T1817-W1819 PolarHBondContact OG1-NE1 3.29Å; W1819-Q1821 VanDerWaalsContact C-N 3.3Å; W1819-Q1821 PolarHBondContact O-N 2.81Å; W1819-R1822 PolarHBondContact O-N 2.85Å; W1819-E1823 VanDerWaalsContact O-CB 3.3Å; W1819-E1823 WeakPolarHBondContact O-CB 3.18Å; W1819-E1823 PolarHBondContact O-N 3.3Å; W1819-F1855 HydrophobicContact CB-CE1 3.9Å; W1819-F1855 HydrophobicContact CB-CZ 4.19Å; W1819-F1855 HydrophobicContact CE3-CE1 4.32Å; W1819-Y1859 HydrophobicContact CB-CD1 3.64Å; W1819-Y1859 HydrophobicContact CB-CD2 3.41Å; W1819-Y1859 VanDerWaalsContact CB-CD2 3.41Å; W1819-Y1859 HydrophobicContact CB-CE1 3.78Å; W1819-Y1859 HydrophobicContact CB-CE2 3.61Å; W1819-Y1859 HydrophobicContact CB-CG 3.39Å; W1819-Y1859 HydrophobicContact CG-CD1 4.48Å; W1819-Y1859 HydrophobicContact CG-CD2 4.44Å; W1819-Y1859 HydrophobicContact CG-CG 4.16Å; W1819-I1861 HydrophobicContact CD2-CD1 3.62Å; W1819-I1861 HydrophobicContact CE3-CD1 3.79Å; W1819-I1861 HydrophobicContact CG-CD1 4.16Å; W1819-I1861 HydrophobicContact CH2-CD1 4.06Å; W1819-I1861 HydrophobicContact CZ2-CD1 3.88Å; W1819-I1861 HydrophobicContact CZ2-CG2 3.95Å; W1819-I1861 HydrophobicContact CZ3-CD1 4.01Å; W1819-L1866 HydrophobicContact CE3-CD1 4.19Å; W1819-L1866 HydrophobicContact CZ3-CD1 3.96Å; W1819-W1869 HydrophobicContact CH2-CB 4.03Å; W1819-W1869 HydrophobicContact CH2-CD2 4.11Å; W1819-W1869 AromaticContact CH2-CG 3.78Å; W1819-W1869 HydrophobicContact CH2-CG 3.78Å; W1819-W1869 HydrophobicContact CZ3-CB 4.28Å; W1819-W1869 AromaticContact CZ3-CD2 3.76Å; W1819-W1869 HydrophobicContact CZ3-CD2 3.76Å; W1819-W1869 AromaticContact CZ3-CE3 3.9Å; W1819-W1869 HydrophobicContact CZ3-CE3 3.9Å; W1819-W1869 AromaticContact CZ3-CG 3.91Å; W1819-W1869 HydrophobicContact CZ3-CG 3.91Å
1820	Q	77.9	Confident	61.8	Low	40 Å²	40	68.6 Å²	68.6	19%	0.187	31%	0.314	C	S	.	.	H	α-helix	trans	-66.4	-33.8	176.4	-72.8	167.5	-1.7	0	0	111.8	L1816 T1817 R1824 W1869	L1816-Q1820 HydrophobicContact CD2-CB 4.06Å; T1817-Q1820 WeakPolarHBondContact O-CB 3.06Å; T1817-Q1820 PolarHBondContact O-N 3.05Å; T1817-Q1820 VanDerWaalsContact OG1-CD 3.28Å; T1817-Q1820 WeakPolarHBondContact OG1-CG 3.17Å; T1817-Q1820 PolarHBondContact OG1-N 3.33Å; Q1820-R1824 WeakPolarHBondContact O-CB 3.44Å; Q1820-R1824 PolarHBondContact O-N 3.21Å; Q1820-W1869 HydrophobicContact CB-CH2 4.29Å; Q1820-W1869 HydrophobicContact CB-CZ2 3.73Å; Q1820-W1869 HydrophobicContact CG-CD2 4.43Å; Q1820-W1869 HydrophobicContact CG-CZ2 3.83Å; Q1820-W1869 VanDerWaalsContact O-CH2 3.27Å; Q1820-W1869 WeakPolarHBondContact O-CH2 3.23Å
1821	Q	72.9	Confident	63.8	Low	88 Å²	88	61.6 Å²	61.6	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-66.1	-56.5	171.8	-69.7	-179.8	-32.4	0	0	111.2	L1816 T1817 W1819 E1823 R1824 D1825	L1816-Q1821 HydrophobicContact CB-CG 4.24Å; T1817-Q1821 PolarHBondContact O-N 3.08Å; T1817-Q1821 VanDerWaalsContact O-N 3.1Å; W1819-Q1821 VanDerWaalsContact C-N 3.3Å; W1819-Q1821 PolarHBondContact O-N 2.81Å; Q1821-E1823 VanDerWaalsContact C-N 3.33Å; Q1821-E1823 PolarHBondContact O-N 2.82Å; Q1821-R1824 WeakPolarHBondContact O-CB 3.3Å; Q1821-R1824 PolarHBondContact O-N 2.87Å; Q1821-R1824 VanDerWaalsContact O-N 3.11Å; Q1821-D1825 PolarHBondContact O-N 3.41Å
1822	R	77	Confident	65.6	Low	140 Å²	140	55.6 Å²	55.6	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-37.6	-178.4	-70.5	-164.9	-169.7	142.5	-2.8	113.4	T1818 W1819 D1825 R1826 F1855 Y1859	T1818-R1822 WeakPolarHBondContact O-CG 3.29Å; T1818-R1822 PolarHBondContact O-N 2.79Å; W1819-R1822 PolarHBondContact O-N 2.85Å; R1822-D1825 PolarHBondContact O-N 2.97Å; R1822-R1826 WeakPolarHBondContact O-CB 3.28Å; R1822-R1826 PolarHBondContact O-N 3.41Å; R1822-F1855 HydrophobicContact CB-CZ 4.47Å; R1822-Y1859 WeakPolarHBondContact CD-OH 3.41Å; R1822-Y1859 PolarHBondContact NH1-OH 3.27Å
1823	E	80.1	Confident	67.7	Low	1 Å²	1	51 Å²	51	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-76	-27.8	177.9	-163.6	61.7	-164.3	0	0	112.1	W1819 Q1821 R1826 L1827 F1855 L1866 W1869 Q1870	W1819-E1823 VanDerWaalsContact O-CB 3.3Å; W1819-E1823 WeakPolarHBondContact O-CB 3.18Å; W1819-E1823 PolarHBondContact O-N 3.3Å; Q1821-E1823 VanDerWaalsContact C-N 3.33Å; Q1821-E1823 PolarHBondContact O-N 2.82Å; E1823-R1826 PolarHBondContact O-N 2.94Å; E1823-R1826 IonicContact OE1-NH1 3.64Å; E1823-R1826 VanDerWaalsContact OE2-CD 3.23Å; E1823-R1826 WeakPolarHBondContact OE2-CD 3.47Å; E1823-R1826 IonicContact OE2-NH1 2.68Å; E1823-R1826 PolarHBondContact OE2-NH1 3.28Å; E1823-L1827 WeakPolarHBondContact O-CB 3.3Å; E1823-L1827 VanDerWaalsContact O-CG 3.29Å; E1823-L1827 WeakPolarHBondContact O-CG 3.36Å; E1823-L1827 PolarHBondContact O-N 3.43Å; E1823-F1855 HydrophobicContact CB-CE1 4.1Å; E1823-F1855 HydrophobicContact CB-CZ 3.81Å; E1823-F1855 HydrophobicContact CG-CZ 4.49Å; E1823-F1855 WeakPolarHBondContact OE2-CE2 3.45Å; E1823-L1866 HydrophobicContact CG-CD1 4.14Å; E1823-W1869 HydrophobicContact CB-CH2 4.48Å; E1823-W1869 HydrophobicContact CB-CZ3 3.87Å; E1823-W1869 HydrophobicContact CG-CE3 4.47Å; E1823-W1869 HydrophobicContact CG-CZ3 3.93Å; E1823-Q1870 HydrophobicContact CG-CG 4.11Å; E1823-Q1870 PolarHBondContact OE1-NE2 3.45Å
1824	R	82.5	Confident	69.5	Low	9 Å²	9	53.8 Å²	53.8	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-43.8	167.7	178.5	173.5	-71.7	126.6	7.5	111.5	Q1820 Q1821 L1827 Y1828 W1869 E1873 Q1953	Q1820-R1824 WeakPolarHBondContact O-CB 3.44Å; Q1820-R1824 PolarHBondContact O-N 3.21Å; Q1821-R1824 WeakPolarHBondContact O-CB 3.3Å; Q1821-R1824 PolarHBondContact O-N 2.87Å; Q1821-R1824 VanDerWaalsContact O-N 3.11Å; R1824-L1827 PolarHBondContact O-N 3.43Å; R1824-Y1828 HydrophobicContact CG-CD2 4Å; R1824-Y1828 HydrophobicContact CG-CE2 3.81Å; R1824-Y1828 VanDerWaalsContact O-CD2 3.26Å; R1824-Y1828 WeakPolarHBondContact O-CD2 3.33Å; R1824-Y1828 PolarHBondContact O-N 2.99Å; R1824-W1869 HydrophobicContact CB-CH2 4.11Å; R1824-E1873 IonicContact CZ-OE1 3.52Å; R1824-E1873 IonicContact CZ-OE2 3.36Å; R1824-E1873 IonicContact NE-OE1 3.31Å; R1824-E1873 PolarHBondContact NE-OE1 3.22Å; R1824-E1873 IonicContact NE-OE2 3.59Å; R1824-E1873 VanDerWaalsContact NH2-CD 3.28Å; R1824-E1873 IonicContact NH2-OE1 2.8Å; R1824-E1873 PolarHBondContact NH2-OE1 3.07Å; R1824-E1873 IonicContact NH2-OE2 2.66Å; R1824-E1873 PolarHBondContact NH2-OE2 2.96Å; R1824-Q1953 WeakPolarHBondContact CD-O 3.49Å; R1824-Q1953 VanDerWaalsContact CZ-O 3.25Å; R1824-Q1953 PolarHBondContact NE-O 2.86Å; R1824-Q1953 PolarHBondContact NH1-O 3.46Å
1825	D	79.4	Confident	71.2	Confident	67 Å²	67	52.8 Å²	52.8	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-57.1	-49.4	173.3	-84.7	-62.5	0	0	0	111.3	Q1821 R1822 L1827 Y1828 E1829 R1895	Q1821-D1825 PolarHBondContact O-N 3.41Å; R1822-D1825 PolarHBondContact O-N 2.97Å; D1825-L1827 VanDerWaalsContact C-N 3.35Å; D1825-L1827 PolarHBondContact O-N 3.1Å; D1825-Y1828 PolarHBondContact O-N 3.42Å; D1825-Y1828 VanDerWaalsContact O-N 3.15Å; D1825-E1829 WeakPolarHBondContact O-CB 3.48Å; D1825-E1829 PolarHBondContact O-N 3.39Å; D1825-R1895 VanDerWaalsContact CG-NH2 3.33Å; D1825-R1895 IonicContact OD1-CZ 3.12Å; D1825-R1895 IonicContact OD1-NH1 3.35Å; D1825-R1895 PolarHBondContact OD1-NH1 3.06Å; D1825-R1895 IonicContact OD1-NH2 3.84Å; D1825-R1895 PolarHBondContact OD1-NH2 3.17Å; D1825-R1895 IonicContact OD2-NH2 2.72Å
1826	R	80.1	Confident	72.6	Confident	47 Å²	47	47.2 Å²	47.2	18%	0.177	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-40.7	176.3	-164.5	-169.8	-169.7	177.1	3.6	113.2	R1822 E1823 E1829 F1830	R1822-R1826 WeakPolarHBondContact O-CB 3.28Å; R1822-R1826 PolarHBondContact O-N 3.41Å; E1823-R1826 PolarHBondContact O-N 2.94Å; E1823-R1826 IonicContact OE1-NH1 3.64Å; E1823-R1826 VanDerWaalsContact OE2-CD 3.23Å; E1823-R1826 WeakPolarHBondContact OE2-CD 3.47Å; E1823-R1826 IonicContact OE2-NH1 2.68Å; E1823-R1826 PolarHBondContact OE2-NH1 3.28Å; R1826-E1829 WeakPolarHBondContact O-CB 3.2Å; R1826-E1829 PolarHBondContact O-N 2.86Å; R1826-F1830 HydrophobicContact CG-CD2 4.08Å; R1826-F1830 HydrophobicContact CG-CE2 3.7Å; R1826-F1830 HydrophobicContact CG-CZ 4.09Å; R1826-F1830 WeakPolarHBondContact O-CD2 3.47Å; R1826-F1830 WeakPolarHBondContact O-CG 3.27Å; R1826-F1830 PolarHBondContact O-N 2.81Å
1827	L	82.7	Confident	73.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-37.8	175.7	-76.9	171.2	0	0	0	112.5	E1823 R1824 D1825 I1831 L1841 W1869 E1873 L1874 I1877	E1823-L1827 WeakPolarHBondContact O-CB 3.3Å; E1823-L1827 VanDerWaalsContact O-CG 3.29Å; E1823-L1827 WeakPolarHBondContact O-CG 3.36Å; E1823-L1827 PolarHBondContact O-N 3.43Å; R1824-L1827 PolarHBondContact O-N 3.43Å; D1825-L1827 VanDerWaalsContact C-N 3.35Å; D1825-L1827 PolarHBondContact O-N 3.1Å; L1827-I1831 WeakPolarHBondContact O-CD1 3.49Å; L1827-I1831 VanDerWaalsContact O-CG1 3.29Å; L1827-I1831 WeakPolarHBondContact O-CG1 3.36Å; L1827-I1831 PolarHBondContact O-N 2.98Å; L1827-I1831 VanDerWaalsContact O-N 3.15Å; L1827-L1841 HydrophobicContact CD2-CD1 3.74Å; L1827-W1869 HydrophobicContact CD1-CZ3 4.08Å; L1827-E1873 HydrophobicContact CD1-CB 4.02Å; L1827-E1873 HydrophobicContact CD1-CG 3.81Å; L1827-L1874 HydrophobicContact CD2-CD1 4.43Å; L1827-I1877 HydrophobicContact CB-CD1 4.45Å
1828	Y	82	Confident	74.6	Confident	2 Å²	2	50 Å²	50	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-35.9	171.5	-81.8	-68.5	0	0	0	112.3	R1824 D1825 I1831 G1832 I1877 L1891 Q1892 R1895 S1952	R1824-Y1828 HydrophobicContact CG-CD2 4Å; R1824-Y1828 HydrophobicContact CG-CE2 3.81Å; R1824-Y1828 VanDerWaalsContact O-CD2 3.26Å; R1824-Y1828 WeakPolarHBondContact O-CD2 3.33Å; R1824-Y1828 PolarHBondContact O-N 2.99Å; D1825-Y1828 PolarHBondContact O-N 3.42Å; D1825-Y1828 VanDerWaalsContact O-N 3.15Å; Y1828-I1831 WeakPolarHBondContact O-CB 3.48Å; Y1828-I1831 PolarHBondContact O-N 3.3Å; Y1828-G1832 PolarHBondContact O-N 3.28Å; Y1828-I1877 HydrophobicContact CD2-CD1 4.46Å; Y1828-I1877 HydrophobicContact CE1-CD1 4.28Å; Y1828-I1877 HydrophobicContact CE1-CG1 4.44Å; Y1828-I1877 HydrophobicContact CE1-CG2 3.96Å; Y1828-I1877 HydrophobicContact CE2-CD1 3.98Å; Y1828-I1877 HydrophobicContact CE2-CG1 4.46Å; Y1828-L1891 HydrophobicContact CE1-CD2 4.19Å; Y1828-L1891 HydrophobicContact CE1-CG 4.18Å; Y1828-Q1892 HydrophobicContact CD1-CB 4.27Å; Y1828-Q1892 PolarHBondContact O-NE2 3.06Å; Y1828-Q1892 PolarHBondContact O-OE1 2.66Å; Y1828-R1895 VanDerWaalsContact CD2-CD 3.46Å; Y1828-S1952 WeakPolarHBondContact CE2-O 3.49Å; Y1828-S1952 WeakPolarHBondContact OH-CA 3.4Å; Y1828-S1952 WeakPolarHBondContact OH-CB 3.48Å; Y1828-S1952 PolarHBondContact OH-O 3.43Å
1829	E	77.7	Confident	75.2	Confident	33 Å²	33	50.7 Å²	50.7	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-46.4	177.4	-169.8	166.8	106.1	0	0	112.3	K528 D1825 R1826 I1831 G1832 N1833	K528-E1829 WeakPolarHBondContact CB-OE2 3.24Å; K528-E1829 WeakPolarHBondContact CD-OE2 3Å; K528-E1829 HydrophobicContact CG-CG 4Å; K528-E1829 VanDerWaalsContact CG-OE2 3.24Å; K528-E1829 WeakPolarHBondContact CG-OE2 3.28Å; D1825-E1829 WeakPolarHBondContact O-CB 3.48Å; D1825-E1829 PolarHBondContact O-N 3.39Å; R1826-E1829 WeakPolarHBondContact O-CB 3.2Å; R1826-E1829 PolarHBondContact O-N 2.86Å; E1829-I1831 VanDerWaalsContact C-N 3.27Å; E1829-I1831 PolarHBondContact O-N 3.32Å; E1829-G1832 PolarHBondContact O-N 3.07Å; E1829-G1832 VanDerWaalsContact O-N 3.09Å; E1829-N1833 PolarHBondContact O-N 3.47Å
1830	F	76.4	Confident	75.6	Confident	28 Å²	28	54 Å²	54	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-34	172.1	-73.9	-37.3	0	0	0	113.1	R1826 G1832 Q1834 N1835 M1836 W1844	R1826-F1830 HydrophobicContact CG-CD2 4.08Å; R1826-F1830 HydrophobicContact CG-CE2 3.7Å; R1826-F1830 HydrophobicContact CG-CZ 4.09Å; R1826-F1830 WeakPolarHBondContact O-CD2 3.47Å; R1826-F1830 WeakPolarHBondContact O-CG 3.27Å; R1826-F1830 PolarHBondContact O-N 2.81Å; F1830-G1832 VanDerWaalsContact C-N 3.31Å; F1830-G1832 PolarHBondContact O-N 3.46Å; F1830-Q1834 CarbonylContact O-C 3.51Å; F1830-Q1834 WeakPolarHBondContact O-CA 3.48Å; F1830-Q1834 WeakPolarHBondContact O-CB 3.17Å; F1830-Q1834 PolarHBondContact O-N 3.32Å; F1830-N1835 PolarHBondContact O-N 3.28Å; F1830-M1836 HydrophobicContact CB-CB 4.38Å; F1830-M1836 HydrophobicContact CB-CE 3.81Å; F1830-M1836 HydrophobicContact CB-SD 4.19Å; F1830-M1836 HydrophobicContact CD1-CE 3.95Å; F1830-M1836 HydrophobicContact CD2-CE 3.89Å; F1830-M1836 HydrophobicContact CD2-SD 4.24Å; F1830-M1836 HydrophobicContact CE1-CE 4.43Å; F1830-M1836 HydrophobicContact CE2-CE 4.36Å; F1830-M1836 HydrophobicContact CG-CE 3.65Å; F1830-M1836 HydrophobicContact CG-SD 4.36Å; F1830-W1844 HydrophobicContact CE2-CD2 4.4Å; F1830-W1844 HydrophobicContact CE2-CE3 4.43Å; F1830-W1844 AromaticContact CE2-CH2 3.81Å; F1830-W1844 HydrophobicContact CE2-CH2 3.81Å; F1830-W1844 AromaticContact CE2-CZ2 3.77Å; F1830-W1844 HydrophobicContact CE2-CZ2 3.77Å; F1830-W1844 HydrophobicContact CE2-CZ3 4.13Å; F1830-W1844 AromaticContact CZ-CE2 3.81Å; F1830-W1844 HydrophobicContact CZ-CH2 4.16Å; F1830-W1844 AromaticContact CZ-CZ2 3.64Å; F1830-W1844 HydrophobicContact CZ-CZ2 3.64Å
1831	I	74.6	Confident	75.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-39.8	173.5	-82.1	169.3	0	0	0	111.4	L1827 Y1828 E1829 N1835 L1874 I1877 Q1888 Q1892	L1827-I1831 WeakPolarHBondContact O-CD1 3.49Å; L1827-I1831 VanDerWaalsContact O-CG1 3.29Å; L1827-I1831 WeakPolarHBondContact O-CG1 3.36Å; L1827-I1831 PolarHBondContact O-N 2.98Å; L1827-I1831 VanDerWaalsContact O-N 3.15Å; Y1828-I1831 WeakPolarHBondContact O-CB 3.48Å; Y1828-I1831 PolarHBondContact O-N 3.3Å; E1829-I1831 VanDerWaalsContact C-N 3.27Å; E1829-I1831 PolarHBondContact O-N 3.32Å; I1831-N1835 WeakPolarHBondContact O-CA 3.19Å; I1831-N1835 PolarHBondContact O-N 2.8Å; I1831-L1874 HydrophobicContact CD1-CD1 4.08Å; I1831-L1874 HydrophobicContact CG1-CD1 4.42Å; I1831-I1877 HydrophobicContact CD1-CG2 3.69Å; I1831-Q1888 HydrophobicContact CD1-CB 4.4Å; I1831-Q1888 HydrophobicContact CG1-CB 4.45Å; I1831-Q1888 HydrophobicContact CG2-CB 3.52Å; I1831-Q1888 WeakPolarHBondContact CG2-O 3.45Å; I1831-Q1892 HydrophobicContact CG2-CB 4.47Å
1832	G	67.2	Low	75.9	Confident	29 Å²	29	54.1 Å²	54.1	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-81.5	-43.9	-176.7	0	0	0	0	0	113.9	Y1828 E1829 F1830	Y1828-G1832 PolarHBondContact O-N 3.28Å; E1829-G1832 PolarHBondContact O-N 3.07Å; E1829-G1832 VanDerWaalsContact O-N 3.09Å; F1830-G1832 VanDerWaalsContact C-N 3.31Å; F1830-G1832 PolarHBondContact O-N 3.46Å
1833	N	73.4	Confident	75.9	Confident	85 Å²	85	50.7 Å²	50.7	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-79.7	-23.6	-176.1	-64.5	4.9	0	0	0	111.6	K528 E1829	K528-N1833 PolarHBondContact O-ND2 3.18Å; E1829-N1833 PolarHBondContact O-N 3.47Å
1834	Q	66.1	Low	75.7	Confident	117 Å²	117	51.6 Å²	51.6	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-137.4	-4	-171.9	-57.9	-177.9	-3.9	0	0	116	F1830 M1836	F1830-Q1834 CarbonylContact O-C 3.51Å; F1830-Q1834 WeakPolarHBondContact O-CA 3.48Å; F1830-Q1834 WeakPolarHBondContact O-CB 3.17Å; F1830-Q1834 PolarHBondContact O-N 3.32Å; Q1834-M1836 PolarHBondContact O-N 3.24Å
1835	N	64.4	Low	75.6	Confident	97 Å²	97	52.3 Å²	52.3	52%	0.519	27%	0.27	S	S	.	.			trans	52.7	33.4	-174.6	-68.7	-78.4	0	0	0	114.4	F1830 I1831 T1837	F1830-N1835 PolarHBondContact O-N 3.28Å; I1831-N1835 WeakPolarHBondContact O-CA 3.19Å; I1831-N1835 PolarHBondContact O-N 2.8Å; N1835-T1837 PolarHBondContact O-N 2.85Å
1836	M	68.2	Low	75.5	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.025	29%	0.285	C	S	.	.			trans	-55.9	116.6	-164.5	-169.4	-178.3	-74.1	0	0	114.9	F1830 Q1834 E1840 L1841 W1844	F1830-M1836 HydrophobicContact CB-CB 4.38Å; F1830-M1836 HydrophobicContact CB-CE 3.81Å; F1830-M1836 HydrophobicContact CB-SD 4.19Å; F1830-M1836 HydrophobicContact CD1-CE 3.95Å; F1830-M1836 HydrophobicContact CD2-CE 3.89Å; F1830-M1836 HydrophobicContact CD2-SD 4.24Å; F1830-M1836 HydrophobicContact CE1-CE 4.43Å; F1830-M1836 HydrophobicContact CE2-CE 4.36Å; F1830-M1836 HydrophobicContact CG-CE 3.65Å; F1830-M1836 HydrophobicContact CG-SD 4.36Å; Q1834-M1836 PolarHBondContact O-N 3.24Å; M1836-E1840 HydrophobicContact CG-CB 3.92Å; M1836-L1841 HydrophobicContact SD-CB 4.27Å; M1836-L1841 HydrophobicContact SD-CD1 3.96Å; M1836-W1844 HydrophobicContact CE-CB 4.46Å; M1836-W1844 HydrophobicContact CE-CG 4.24Å
1837	T	73.5	Confident	75.2	Confident	52 Å²	52	59.7 Å²	59.7	32%	0.319	31%	0.308	S	S	.	.			trans	-79.2	166.1	175.8	65.2	0	0	0	0	112.9	N1835 T1839 E1840 L1841	N1835-T1837 PolarHBondContact O-N 2.85Å; T1837-T1839 PolarHBondContact O-N 3.2Å; T1837-T1839 PolarHBondContact OG1-N 3.31Å; T1837-T1839 PolarHBondContact OG1-OG1 3.16Å; T1837-E1840 WeakPolarHBondContact CB-OE2 3.44Å; T1837-E1840 VanDerWaalsContact CG2-OE2 3.24Å; T1837-E1840 WeakPolarHBondContact CG2-OE2 3.48Å; T1837-E1840 PolarHBondContact N-OE2 2.91Å; T1837-E1840 PolarHBondContact O-N 3Å; T1837-E1840 VanDerWaalsContact O-N 3.16Å; T1837-E1840 VanDerWaalsContact OG1-CD 3.25Å; T1837-E1840 PolarHBondContact OG1-N 2.85Å; T1837-E1840 VanDerWaalsContact OG1-N 3.13Å; T1837-E1840 PolarHBondContact OG1-OE2 3.36Å; T1837-L1841 PolarHBondContact O-N 2.86Å
1838	Q	75.1	Confident	74.6	Confident	99 Å²	99	62.4 Å²	62.4	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-22.7	170.2	-83.1	-172.2	-16.1	0	0	113.8	K1842 L1874	Q1838-K1842 WeakPolarHBondContact O-CG 3.35Å; Q1838-L1874 HydrophobicContact CG-CD2 3.97Å
1839	T	77.5	Confident	74.3	Confident	99 Å²	99	65.3 Å²	65.3	61%	0.607	34%	0.343	S	S	*	.	H	α-helix	trans	-74.8	-50.2	172.2	16.7	0	0	0	0	110.9	T1837 L1841 K1842 T1843	T1837-T1839 PolarHBondContact O-N 3.2Å; T1837-T1839 PolarHBondContact OG1-N 3.31Å; T1837-T1839 PolarHBondContact OG1-OG1 3.16Å; T1839-L1841 PolarHBondContact O-N 2.92Å; T1839-K1842 WeakPolarHBondContact O-CB 3.24Å; T1839-K1842 PolarHBondContact O-N 3.13Å; T1839-K1842 VanDerWaalsContact O-N 3.11Å; T1839-T1843 PolarHBondContact O-N 2.9Å; T1839-T1843 VanDerWaalsContact O-N 3.08Å; T1839-T1843 PolarHBondContact O-OG1 3.33Å; T1839-T1843 VanDerWaalsContact O-OG1 3.13Å
1840	E	78.3	Confident	74.1	Confident	96 Å²	96	69 Å²	69	45%	0.449	36%	0.358	S	S	.	.	H	α-helix	trans	-65.9	-35.8	177.8	-72.5	135.8	169	0	0	112.4	M1836 T1837 K1842 T1843 W1844	M1836-E1840 HydrophobicContact CG-CB 3.92Å; T1837-E1840 WeakPolarHBondContact CB-OE2 3.44Å; T1837-E1840 VanDerWaalsContact CG2-OE2 3.24Å; T1837-E1840 WeakPolarHBondContact CG2-OE2 3.48Å; T1837-E1840 PolarHBondContact N-OE2 2.91Å; T1837-E1840 PolarHBondContact O-N 3Å; T1837-E1840 VanDerWaalsContact O-N 3.16Å; T1837-E1840 VanDerWaalsContact OG1-CD 3.25Å; T1837-E1840 PolarHBondContact OG1-N 2.85Å; T1837-E1840 VanDerWaalsContact OG1-N 3.13Å; T1837-E1840 PolarHBondContact OG1-OE2 3.36Å; E1840-K1842 PolarHBondContact O-N 3.2Å; E1840-T1843 PolarHBondContact O-N 3.37Å; E1840-T1843 VanDerWaalsContact O-N 3.1Å; E1840-W1844 VanDerWaalsContact O-CB 3.24Å; E1840-W1844 WeakPolarHBondContact O-CB 3.4Å; E1840-W1844 PolarHBondContact O-N 2.93Å
1841	L	78.2	Confident	74	Confident	2 Å²	2	71 Å²	71	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-56.2	-39.8	171.3	-173.5	89.5	0	0	0	111.5	L1827 M1836 T1837 T1839 W1844 Q1845 Q1870 K1871 L1874	L1827-L1841 HydrophobicContact CD2-CD1 3.74Å; M1836-L1841 HydrophobicContact SD-CB 4.27Å; M1836-L1841 HydrophobicContact SD-CD1 3.96Å; T1837-L1841 PolarHBondContact O-N 2.86Å; T1839-L1841 PolarHBondContact O-N 2.92Å; L1841-W1844 HydrophobicContact CD1-CE3 4.45Å; L1841-Q1845 VanDerWaalsContact O-CB 3.27Å; L1841-Q1845 WeakPolarHBondContact O-CB 3.35Å; L1841-Q1845 WeakPolarHBondContact O-CG 3.3Å; L1841-Q1845 PolarHBondContact O-N 2.65Å; L1841-Q1870 HydrophobicContact CD2-CB 4.32Å; L1841-K1871 HydrophobicContact CD2-CG 4.16Å; L1841-L1874 HydrophobicContact CB-CD2 3.84Å; L1841-L1874 HydrophobicContact CD1-CD2 4.25Å; L1841-L1874 HydrophobicContact CD2-CB 4.35Å; L1841-L1874 HydrophobicContact CD2-CD2 3.9Å; L1841-L1874 HydrophobicContact CG-CD2 4.2Å
1842	K	79.7	Confident	74.2	Confident	127 Å²	127	71.2 Å²	71.2	55%	0.552	37%	0.371	S	S	*	.	H	α-helix	trans	-70.1	-39	176	-72.9	176.4	-179.4	179.2	0	112.1	Q1838 T1839 E1840 Q1845 I1846	Q1838-K1842 WeakPolarHBondContact O-CG 3.35Å; T1839-K1842 WeakPolarHBondContact O-CB 3.24Å; T1839-K1842 PolarHBondContact O-N 3.13Å; T1839-K1842 VanDerWaalsContact O-N 3.11Å; E1840-K1842 PolarHBondContact O-N 3.2Å; K1842-Q1845 PolarHBondContact O-N 2.99Å; K1842-I1846 WeakPolarHBondContact O-CD1 3.41Å; K1842-I1846 WeakPolarHBondContact O-CG1 3.43Å; K1842-I1846 PolarHBondContact O-N 3.09Å
1843	T	77.7	Confident	74.6	Confident	69 Å²	69	72 Å²	72	42%	0.423	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-44.6	175.7	-47.1	0	0	0	0	111	T1839 E1840 I1846 Q1847	T1839-T1843 PolarHBondContact O-N 2.9Å; T1839-T1843 VanDerWaalsContact O-N 3.08Å; T1839-T1843 PolarHBondContact O-OG1 3.33Å; T1839-T1843 VanDerWaalsContact O-OG1 3.13Å; E1840-T1843 PolarHBondContact O-N 3.37Å; E1840-T1843 VanDerWaalsContact O-N 3.1Å; T1843-I1846 WeakPolarHBondContact O-CB 3.31Å; T1843-I1846 PolarHBondContact O-N 3.25Å; T1843-I1846 VanDerWaalsContact O-N 3.1Å; T1843-Q1847 WeakPolarHBondContact O-CG 3.44Å; T1843-Q1847 PolarHBondContact O-N 3.15Å
1844	W	75.8	Confident	74.8	Confident	20 Å²	20	71.9 Å²	71.9	8%	0.076	37%	0.371	C	S	.	.	H	α-helix	trans	-64.3	-41.4	175.8	-178.5	72.3	0	0	0	111.7	F1830 M1836 E1840 L1841 I1846 Q1847 D1848 L1852	F1830-W1844 HydrophobicContact CE2-CD2 4.4Å; F1830-W1844 HydrophobicContact CE2-CE3 4.43Å; F1830-W1844 AromaticContact CE2-CH2 3.81Å; F1830-W1844 HydrophobicContact CE2-CH2 3.81Å; F1830-W1844 AromaticContact CE2-CZ2 3.77Å; F1830-W1844 HydrophobicContact CE2-CZ2 3.77Å; F1830-W1844 HydrophobicContact CE2-CZ3 4.13Å; F1830-W1844 AromaticContact CZ-CE2 3.81Å; F1830-W1844 HydrophobicContact CZ-CH2 4.16Å; F1830-W1844 AromaticContact CZ-CZ2 3.64Å; F1830-W1844 HydrophobicContact CZ-CZ2 3.64Å; M1836-W1844 HydrophobicContact CE-CB 4.46Å; M1836-W1844 HydrophobicContact CE-CG 4.24Å; E1840-W1844 VanDerWaalsContact O-CB 3.24Å; E1840-W1844 WeakPolarHBondContact O-CB 3.4Å; E1840-W1844 PolarHBondContact O-N 2.93Å; L1841-W1844 HydrophobicContact CD1-CE3 4.45Å; W1844-I1846 PolarHBondContact O-N 3.5Å; W1844-I1846 VanDerWaalsContact O-N 3.12Å; W1844-Q1847 PolarHBondContact O-N 2.66Å; W1844-D1848 HydrophobicContact CD2-CB 4.4Å; W1844-D1848 HydrophobicContact CZ2-CB 3.98Å; W1844-D1848 VanDerWaalsContact NE1-CG 3.3Å; W1844-D1848 PolarHBondContact NE1-OD2 3.38Å; W1844-D1848 PolarHBondContact O-N 3.11Å; W1844-L1852 HydrophobicContact CH2-CD2 3.78Å; W1844-L1852 HydrophobicContact CH2-CG 4.43Å; W1844-L1852 HydrophobicContact CZ3-CD2 3.84Å
1845	Q	80.3	Confident	75.2	Confident	23 Å²	23	67.8 Å²	67.8	11%	0.107	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-20.6	172.1	-79.2	175.4	-10.2	0	0	114.1	L1841 K1842 L1852 S1867	L1841-Q1845 VanDerWaalsContact O-CB 3.27Å; L1841-Q1845 WeakPolarHBondContact O-CB 3.35Å; L1841-Q1845 WeakPolarHBondContact O-CG 3.3Å; L1841-Q1845 PolarHBondContact O-N 2.65Å; K1842-Q1845 PolarHBondContact O-N 2.99Å; Q1845-L1852 HydrophobicContact CB-CD1 3.99Å; Q1845-L1852 HydrophobicContact CG-CD1 3.81Å; Q1845-S1867 PolarHBondContact NE2-O 2.81Å
1846	I	76.6	Confident	75.9	Confident	131 Å²	131	63.2 Å²	63.2	67%	0.672	33%	0.328	S	S	*	.	H	α-helix	trans	-90.6	-45.3	174.6	-66.4	163.2	0	0	0	110.6	K1842 T1843 W1844 S1849	K1842-I1846 WeakPolarHBondContact O-CD1 3.41Å; K1842-I1846 WeakPolarHBondContact O-CG1 3.43Å; K1842-I1846 PolarHBondContact O-N 3.09Å; T1843-I1846 WeakPolarHBondContact O-CB 3.31Å; T1843-I1846 PolarHBondContact O-N 3.25Å; T1843-I1846 VanDerWaalsContact O-N 3.1Å; W1844-I1846 PolarHBondContact O-N 3.5Å; W1844-I1846 VanDerWaalsContact O-N 3.12Å; I1846-S1849 PolarHBondContact O-OG 2.7Å
1847	Q	73.8	Confident	76.3	Confident	139 Å²	139	71.5 Å²	71.5	65%	0.65	36%	0.363	S	S	*	.	H	α-helix	trans	-66.6	-56.7	-179.2	-71.7	170.9	-37.9	0	0	112	T1843 W1844 S1849	T1843-Q1847 WeakPolarHBondContact O-CG 3.44Å; T1843-Q1847 PolarHBondContact O-N 3.15Å; W1844-Q1847 PolarHBondContact O-N 2.66Å; Q1847-S1849 PolarHBondContact O-N 2.67Å; Q1847-S1849 VanDerWaalsContact O-N 3.16Å
1848	D	70.5	Confident	76.5	Confident	57 Å²	57	77.9 Å²	77.9	31%	0.305	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	32.5	-177.2	-85	9.6	0	0	0	112.5	W1844 K1850 L1851 L1852	W1844-D1848 HydrophobicContact CD2-CB 4.4Å; W1844-D1848 HydrophobicContact CZ2-CB 3.98Å; W1844-D1848 VanDerWaalsContact NE1-CG 3.3Å; W1844-D1848 PolarHBondContact NE1-OD2 3.38Å; W1844-D1848 PolarHBondContact O-N 3.11Å; D1848-K1850 PolarHBondContact O-N 2.72Å; D1848-K1850 VanDerWaalsContact O-N 3.15Å; D1848-L1851 HydrophobicContact CB-CB 4.19Å; D1848-L1851 HydrophobicContact CB-CD1 4.38Å; D1848-L1851 PolarHBondContact O-N 3.49Å; D1848-L1851 WeakPolarHBondContact OD2-CD1 3.43Å; D1848-L1852 PolarHBondContact O-N 2.84Å
1849	S	74.2	Confident	76.4	Confident	63 Å²	63	75 Å²	75	44%	0.441	37%	0.367	S	S	.	.	H	α-helix	trans	-57	-28.7	177.7	50.6	0	0	0	0	113.3	I1846 Q1847 A1853	I1846-S1849 PolarHBondContact O-OG 2.7Å; Q1847-S1849 PolarHBondContact O-N 2.67Å; Q1847-S1849 VanDerWaalsContact O-N 3.16Å; S1849-A1853 WeakPolarHBondContact O-CB 3.42Å; S1849-A1853 PolarHBondContact O-N 3.38Å
1850	K	74.6	Confident	75.9	Confident	111 Å²	111	79.4 Å²	79.4	48%	0.483	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-51.1	168.7	-69.6	-167.3	-173.2	-179.4	0	112.3	E804 D1848 L1852 A1853 E1854	E804-K1850 WeakPolarHBondContact OE1-CD 3.35Å; E804-K1850 WeakPolarHBondContact OE1-CE 3.41Å; E804-K1850 IonicContact OE1-NZ 2.71Å; E804-K1850 PolarHBondContact OE1-NZ 3.48Å; E804-K1850 IonicContact OE2-NZ 2.96Å; E804-K1850 PolarHBondContact OE2-NZ 3.1Å; D1848-K1850 PolarHBondContact O-N 2.72Å; D1848-K1850 VanDerWaalsContact O-N 3.15Å; K1850-L1852 VanDerWaalsContact C-N 3.25Å; K1850-L1852 PolarHBondContact O-N 2.87Å; K1850-A1853 WeakPolarHBondContact O-CA 3.49Å; K1850-A1853 WeakPolarHBondContact O-CB 3.45Å; K1850-A1853 PolarHBondContact O-N 3.32Å; K1850-E1854 PolarHBondContact O-N 3.44Å
1851	L	75	Confident	75.9	Confident	71 Å²	71	76.1 Å²	76.1	37%	0.372	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-33.8	179.5	-95.7	166.7	0	0	0	112.4	D1848 F1855	D1848-L1851 HydrophobicContact CB-CB 4.19Å; D1848-L1851 HydrophobicContact CB-CD1 4.38Å; D1848-L1851 PolarHBondContact O-N 3.49Å; D1848-L1851 WeakPolarHBondContact OD2-CD1 3.43Å; L1851-F1855 WeakPolarHBondContact O-CB 3.43Å; L1851-F1855 PolarHBondContact O-N 3.34Å
1852	L	77.3	Confident	75.9	Confident	3 Å²	3	78.5 Å²	78.5	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-69.6	-39.5	171.9	-66	177.2	0	0	0	112.6	W1844 Q1845 D1848 K1850 A1856 V1863 L1866	W1844-L1852 HydrophobicContact CH2-CD2 3.78Å; W1844-L1852 HydrophobicContact CH2-CG 4.43Å; W1844-L1852 HydrophobicContact CZ3-CD2 3.84Å; Q1845-L1852 HydrophobicContact CB-CD1 3.99Å; Q1845-L1852 HydrophobicContact CG-CD1 3.81Å; D1848-L1852 PolarHBondContact O-N 2.84Å; K1850-L1852 VanDerWaalsContact C-N 3.25Å; K1850-L1852 PolarHBondContact O-N 2.87Å; L1852-A1856 WeakPolarHBondContact O-CB 3.21Å; L1852-A1856 PolarHBondContact O-N 3.03Å; L1852-V1863 HydrophobicContact CB-CG1 4.21Å; L1852-L1866 HydrophobicContact CB-CD2 4.43Å; L1852-L1866 HydrophobicContact CD2-CD2 3.9Å; L1852-L1866 HydrophobicContact CD2-CG 4.41Å
1853	A	77.3	Confident	75.9	Confident	45 Å²	45	75.4 Å²	75.4	37%	0.372	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-40.4	174.3	0	0	0	0	0	112.2	S1849 K1850 K1857 V1863	S1849-A1853 WeakPolarHBondContact O-CB 3.42Å; S1849-A1853 PolarHBondContact O-N 3.38Å; K1850-A1853 WeakPolarHBondContact O-CA 3.49Å; K1850-A1853 WeakPolarHBondContact O-CB 3.45Å; K1850-A1853 PolarHBondContact O-N 3.32Å; A1853-K1857 VanDerWaalsContact O-CB 3.27Å; A1853-K1857 WeakPolarHBondContact O-CB 3.25Å; A1853-K1857 PolarHBondContact O-N 2.73Å; A1853-V1863 HydrophobicContact CB-CG2 4.27Å
1854	E	76.1	Confident	76	Confident	84 Å²	84	79.2 Å²	79.2	39%	0.393	39%	0.387	S	S	.	.	H	α-helix	trans	-65.9	-46.6	175.4	-69.3	-167.6	140.7	0	0	112.3	R807 K1850 K1857 R1858	R807-E1854 IonicContact CZ-OE1 2.77Å; R807-E1854 IonicContact NH1-OE1 3.37Å; R807-E1854 PolarHBondContact NH1-OE1 2.98Å; R807-E1854 IonicContact NH1-OE2 3.77Å; R807-E1854 PolarHBondContact NH1-OE2 3.38Å; K1850-E1854 PolarHBondContact O-N 3.44Å; E1854-K1857 PolarHBondContact O-N 2.98Å; E1854-R1858 VanDerWaalsContact O-CB 3.31Å; E1854-R1858 WeakPolarHBondContact O-CB 3.4Å; E1854-R1858 PolarHBondContact O-N 2.93Å
1855	F	74.4	Confident	76.1	Confident	30 Å²	30	83.8 Å²	83.8	13%	0.132	41%	0.409	C	S	.	.	H	α-helix	trans	-64.7	-41.1	177.4	-166.8	-81.7	0	0	0	111.5	W1819 R1822 E1823 L1851 R1858 Y1859 L1866	W1819-F1855 HydrophobicContact CB-CE1 3.9Å; W1819-F1855 HydrophobicContact CB-CZ 4.19Å; W1819-F1855 HydrophobicContact CE3-CE1 4.32Å; R1822-F1855 HydrophobicContact CB-CZ 4.47Å; E1823-F1855 HydrophobicContact CB-CE1 4.1Å; E1823-F1855 HydrophobicContact CB-CZ 3.81Å; E1823-F1855 HydrophobicContact CG-CZ 4.49Å; E1823-F1855 WeakPolarHBondContact OE2-CE2 3.45Å; L1851-F1855 WeakPolarHBondContact O-CB 3.43Å; L1851-F1855 PolarHBondContact O-N 3.34Å; F1855-R1858 PolarHBondContact O-N 2.89Å; F1855-Y1859 AromaticContact CD1-CD2 3.93Å; F1855-Y1859 HydrophobicContact CD1-CD2 3.93Å; F1855-Y1859 HydrophobicContact CD1-CE2 4.25Å; F1855-Y1859 HydrophobicContact CD2-CE2 4.26Å; F1855-Y1859 AromaticContact CE1-CD2 3.73Å; F1855-Y1859 HydrophobicContact CE1-CD2 3.73Å; F1855-Y1859 AromaticContact CE1-CE2 3.79Å; F1855-Y1859 HydrophobicContact CE1-CE2 3.79Å; F1855-Y1859 HydrophobicContact CE2-CD2 4.43Å; F1855-Y1859 AromaticContact CE2-CE2 3.8Å; F1855-Y1859 HydrophobicContact CE2-CE2 3.8Å; F1855-Y1859 HydrophobicContact CG-CD2 4.38Å; F1855-Y1859 HydrophobicContact CG-CE2 4.48Å; F1855-Y1859 AromaticContact CZ-CD2 4Å; F1855-Y1859 HydrophobicContact CZ-CD2 4Å; F1855-Y1859 AromaticContact CZ-CE2 3.54Å; F1855-Y1859 HydrophobicContact CZ-CE2 3.54Å; F1855-Y1859 WeakPolarHBondContact O-CD2 3.36Å; F1855-L1866 HydrophobicContact CB-CD2 4.15Å; F1855-L1866 HydrophobicContact CD1-CD1 3.94Å; F1855-L1866 HydrophobicContact CD1-CD2 3.78Å; F1855-L1866 HydrophobicContact CE1-CD1 4.04Å; F1855-L1866 HydrophobicContact CG-CD2 4.35Å
1856	A	80.7	Confident	76.3	Confident	2 Å²	2	82.7 Å²	82.7	2%	0.017	40%	0.404	C	S	.	.	H	α-helix	trans	-61.5	-48.5	175.6	0	0	0	0	0	111.8	L1852 R1858 Y1859 E1860 I1861 V1863 L1866	L1852-A1856 WeakPolarHBondContact O-CB 3.21Å; L1852-A1856 PolarHBondContact O-N 3.03Å; A1856-R1858 VanDerWaalsContact C-N 3.33Å; A1856-R1858 PolarHBondContact O-N 3.25Å; A1856-Y1859 CarbonylContact O-C 3.37Å; A1856-Y1859 PolarHBondContact O-N 3.19Å; A1856-E1860 PolarHBondContact O-N 2.96Å; A1856-E1860 VanDerWaalsContact O-N 3.11Å; A1856-I1861 CarbonylContact C-O 3.55Å; A1856-I1861 HydrophobicContact CB-CG1 4.19Å; A1856-I1861 WeakPolarHBondContact CB-O 3.21Å; A1856-I1861 PolarHBondContact O-N 3.33Å; A1856-V1863 HydrophobicContact CB-CB 4.49Å; A1856-V1863 HydrophobicContact CB-CG2 3.7Å; A1856-L1866 HydrophobicContact CB-CD2 4.24Å
1857	K	75.6	Confident	76.6	Confident	178 Å²	178	77.3 Å²	77.3	77%	0.774	38%	0.378	S	S	*	.	H	α-helix	trans	-59.9	-40.3	175.8	-173.9	-177.8	178.9	-172.9	0	112.2	A1853 E1854 Y1859 E1860	A1853-K1857 VanDerWaalsContact O-CB 3.27Å; A1853-K1857 WeakPolarHBondContact O-CB 3.25Å; A1853-K1857 PolarHBondContact O-N 2.73Å; E1854-K1857 PolarHBondContact O-N 2.98Å; K1857-Y1859 PolarHBondContact O-N 3.28Å; K1857-Y1859 VanDerWaalsContact O-N 3.13Å; K1857-E1860 PolarHBondContact O-N 2.67Å
1858	R	77.4	Confident	77	Confident	186 Å²	186	74.5 Å²	74.5	70%	0.702	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.6	-179.3	-172.4	171.7	-172.1	-178	6.2	114.2	E1854 F1855 A1856	E1854-R1858 VanDerWaalsContact O-CB 3.31Å; E1854-R1858 WeakPolarHBondContact O-CB 3.4Å; E1854-R1858 PolarHBondContact O-N 2.93Å; F1855-R1858 PolarHBondContact O-N 2.89Å; A1856-R1858 VanDerWaalsContact C-N 3.33Å; A1856-R1858 PolarHBondContact O-N 3.25Å
1859	Y	72.9	Confident	77.8	Confident	39 Å²	39	73.8 Å²	73.8	15%	0.153	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	17.1	-174.8	-68.4	-70.7	0	0	0	113.7	W1819 R1822 F1855 A1856 K1857 I1861	W1819-Y1859 HydrophobicContact CB-CD1 3.64Å; W1819-Y1859 HydrophobicContact CB-CD2 3.41Å; W1819-Y1859 VanDerWaalsContact CB-CD2 3.41Å; W1819-Y1859 HydrophobicContact CB-CE1 3.78Å; W1819-Y1859 HydrophobicContact CB-CE2 3.61Å; W1819-Y1859 HydrophobicContact CB-CG 3.39Å; W1819-Y1859 HydrophobicContact CG-CD1 4.48Å; W1819-Y1859 HydrophobicContact CG-CD2 4.44Å; W1819-Y1859 HydrophobicContact CG-CG 4.16Å; R1822-Y1859 WeakPolarHBondContact CD-OH 3.41Å; R1822-Y1859 PolarHBondContact NH1-OH 3.27Å; F1855-Y1859 AromaticContact CD1-CD2 3.93Å; F1855-Y1859 HydrophobicContact CD1-CD2 3.93Å; F1855-Y1859 HydrophobicContact CD1-CE2 4.25Å; F1855-Y1859 HydrophobicContact CD2-CE2 4.26Å; F1855-Y1859 AromaticContact CE1-CD2 3.73Å; F1855-Y1859 HydrophobicContact CE1-CD2 3.73Å; F1855-Y1859 AromaticContact CE1-CE2 3.79Å; F1855-Y1859 HydrophobicContact CE1-CE2 3.79Å; F1855-Y1859 HydrophobicContact CE2-CD2 4.43Å; F1855-Y1859 AromaticContact CE2-CE2 3.8Å; F1855-Y1859 HydrophobicContact CE2-CE2 3.8Å; F1855-Y1859 HydrophobicContact CG-CD2 4.38Å; F1855-Y1859 HydrophobicContact CG-CE2 4.48Å; F1855-Y1859 AromaticContact CZ-CD2 4Å; F1855-Y1859 HydrophobicContact CZ-CD2 4Å; F1855-Y1859 AromaticContact CZ-CE2 3.54Å; F1855-Y1859 HydrophobicContact CZ-CE2 3.54Å; F1855-Y1859 WeakPolarHBondContact O-CD2 3.36Å; A1856-Y1859 CarbonylContact O-C 3.37Å; A1856-Y1859 PolarHBondContact O-N 3.19Å; K1857-Y1859 PolarHBondContact O-N 3.28Å; K1857-Y1859 VanDerWaalsContact O-N 3.13Å; Y1859-I1861 PolarHBondContact O-N 2.86Å
1860	E	67.2	Low	78.2	Confident	191 Å²	191	70.8 Å²	70.8	89%	0.893	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	26.3	174.3	-60.3	174.5	-178.4	0	0	114.7	A1856 K1857	A1856-E1860 PolarHBondContact O-N 2.96Å; A1856-E1860 VanDerWaalsContact O-N 3.11Å; K1857-E1860 PolarHBondContact O-N 2.67Å
1861	I	78	Confident	78.7	Confident	28 Å²	28	68.6 Å²	68.6	14%	0.144	33%	0.33	C	S	.	.			trans	-103.4	154.9	174.5	60	-177	0	0	0	110.5	W1819 A1856 Y1859 L1866	W1819-I1861 HydrophobicContact CD2-CD1 3.62Å; W1819-I1861 HydrophobicContact CE3-CD1 3.79Å; W1819-I1861 HydrophobicContact CG-CD1 4.16Å; W1819-I1861 HydrophobicContact CH2-CD1 4.06Å; W1819-I1861 HydrophobicContact CZ2-CD1 3.88Å; W1819-I1861 HydrophobicContact CZ2-CG2 3.95Å; W1819-I1861 HydrophobicContact CZ3-CD1 4.01Å; A1856-I1861 CarbonylContact C-O 3.55Å; A1856-I1861 HydrophobicContact CB-CG1 4.19Å; A1856-I1861 WeakPolarHBondContact CB-O 3.21Å; A1856-I1861 PolarHBondContact O-N 3.33Å; Y1859-I1861 PolarHBondContact O-N 2.86Å; I1861-L1866 HydrophobicContact CD1-CB 4.03Å; I1861-L1866 HydrophobicContact CD1-CD1 4.08Å; I1861-L1866 HydrophobicContact CD1-CG 4.48Å
1862	S	77.7	Confident	79	Confident	51 Å²	51	72.6 Å²	72.6	36%	0.357	34%	0.344	S	S	.	.			trans	-75.9	147.9	171.1	68.3	0	0	0	0	111.8	Q1864 Q1865 L1866	S1862-Q1864 PolarHBondContact O-N 3.12Å; S1862-Q1865 PolarHBondContact O-N 2.93Å; S1862-Q1865 VanDerWaalsContact O-N 3.12Å; S1862-Q1865 WeakPolarHBondContact OG-CB 3.25Å; S1862-Q1865 WeakPolarHBondContact OG-CG 3.24Å; S1862-Q1865 PolarHBondContact OG-N 3.49Å; S1862-Q1865 PolarHBondContact OG-OE1 2.9Å; S1862-L1866 PolarHBondContact O-N 3.12Å
1863	V	80.5	Confident	79.3	Confident	62 Å²	62	72.9 Å²	72.9	38%	0.376	35%	0.346	S	S	.	.	H	α-helix	trans	-57	-32.7	174.1	-179.3	0	0	0	0	111.5	L1852 A1853 A1856 S1867	L1852-V1863 HydrophobicContact CB-CG1 4.21Å; A1853-V1863 HydrophobicContact CB-CG2 4.27Å; A1856-V1863 HydrophobicContact CB-CB 4.49Å; A1856-V1863 HydrophobicContact CB-CG2 3.7Å; V1863-S1867 WeakPolarHBondContact O-CB 3.42Å; V1863-S1867 PolarHBondContact O-N 3.04Å
1864	Q	80.2	Confident	79.6	Confident	150 Å²	150	70.8 Å²	70.8	70%	0.701	33%	0.328	S	S	*	.	H	α-helix	trans	-65	-51.2	175	-70.3	-175.8	-8.4	0	0	111.6	S1862 L1866 S1867 D1868	S1862-Q1864 PolarHBondContact O-N 3.12Å; Q1864-L1866 VanDerWaalsContact C-N 3.33Å; Q1864-L1866 PolarHBondContact O-N 3.4Å; Q1864-S1867 PolarHBondContact O-N 3.31Å; Q1864-S1867 VanDerWaalsContact O-N 3.15Å; Q1864-S1867 PolarHBondContact O-OG 3.09Å; Q1864-D1868 PolarHBondContact O-N 2.83Å
1865	Q	78.4	Confident	79.9	Confident	116 Å²	116	68 Å²	68	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-56.9	-44.2	175.9	-75.2	159.3	-39.6	0	0	112	S1862 D1868 W1869	S1862-Q1865 PolarHBondContact O-N 2.93Å; S1862-Q1865 VanDerWaalsContact O-N 3.12Å; S1862-Q1865 WeakPolarHBondContact OG-CB 3.25Å; S1862-Q1865 WeakPolarHBondContact OG-CG 3.24Å; S1862-Q1865 PolarHBondContact OG-N 3.49Å; S1862-Q1865 PolarHBondContact OG-OE1 2.9Å; Q1865-D1868 PolarHBondContact O-N 3.46Å; Q1865-W1869 VanDerWaalsContact O-CB 3.23Å; Q1865-W1869 WeakPolarHBondContact O-CB 3.46Å; Q1865-W1869 PolarHBondContact O-N 3.3Å
1866	L	83.5	Confident	80.3	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-49	174.9	-179.9	60.8	0	0	0	111.2	W1819 E1823 L1852 F1855 A1856 I1861 S1862 Q1864 D1868 W1869 Q1870	W1819-L1866 HydrophobicContact CE3-CD1 4.19Å; W1819-L1866 HydrophobicContact CZ3-CD1 3.96Å; E1823-L1866 HydrophobicContact CG-CD1 4.14Å; L1852-L1866 HydrophobicContact CB-CD2 4.43Å; L1852-L1866 HydrophobicContact CD2-CD2 3.9Å; L1852-L1866 HydrophobicContact CD2-CG 4.41Å; F1855-L1866 HydrophobicContact CB-CD2 4.15Å; F1855-L1866 HydrophobicContact CD1-CD1 3.94Å; F1855-L1866 HydrophobicContact CD1-CD2 3.78Å; F1855-L1866 HydrophobicContact CE1-CD1 4.04Å; F1855-L1866 HydrophobicContact CG-CD2 4.35Å; A1856-L1866 HydrophobicContact CB-CD2 4.24Å; I1861-L1866 HydrophobicContact CD1-CB 4.03Å; I1861-L1866 HydrophobicContact CD1-CD1 4.08Å; I1861-L1866 HydrophobicContact CD1-CG 4.48Å; S1862-L1866 PolarHBondContact O-N 3.12Å; Q1864-L1866 VanDerWaalsContact C-N 3.33Å; Q1864-L1866 PolarHBondContact O-N 3.4Å; L1866-D1868 VanDerWaalsContact C-N 3.35Å; L1866-D1868 PolarHBondContact O-N 2.92Å; L1866-W1869 PolarHBondContact O-N 2.97Å; L1866-Q1870 HydrophobicContact CD1-CG 4.47Å; L1866-Q1870 WeakPolarHBondContact O-CG 3.4Å; L1866-Q1870 PolarHBondContact O-N 2.9Å
1867	S	83.8	Confident	80.4	Confident	17 Å²	17	67.7 Å²	67.7	12%	0.119	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-37.4	-178.2	82.1	0	0	0	0	112.9	Q1845 V1863 Q1864 K1871	Q1845-S1867 PolarHBondContact NE2-O 2.81Å; V1863-S1867 WeakPolarHBondContact O-CB 3.42Å; V1863-S1867 PolarHBondContact O-N 3.04Å; Q1864-S1867 PolarHBondContact O-N 3.31Å; Q1864-S1867 VanDerWaalsContact O-N 3.15Å; Q1864-S1867 PolarHBondContact O-OG 3.09Å; S1867-K1871 WeakPolarHBondContact O-CD 3.49Å; S1867-K1871 WeakPolarHBondContact O-CE 3.46Å; S1867-K1871 WeakPolarHBondContact O-CG 3.38Å; S1867-K1871 PolarHBondContact O-N 2.97Å; S1867-K1871 VanDerWaalsContact O-N 3.08Å; S1867-K1871 PolarHBondContact OG-NZ 3.19Å
1868	D	81.3	Confident	80.7	Confident	81 Å²	81	60.4 Å²	60.4	43%	0.433	29%	0.287	S	S	.	.	H	α-helix	trans	-78.6	-31.7	179.3	-75.7	-15.9	0	0	0	112.2	Q1864 Q1865 L1866 K1871 K1872	Q1864-D1868 PolarHBondContact O-N 2.83Å; Q1865-D1868 PolarHBondContact O-N 3.46Å; L1866-D1868 VanDerWaalsContact C-N 3.35Å; L1866-D1868 PolarHBondContact O-N 2.92Å; D1868-K1871 IonicContact OD1-NZ 2.65Å; D1868-K1871 PolarHBondContact OD1-NZ 2.96Å; D1868-K1872 WeakPolarHBondContact O-CB 3.37Å; D1868-K1872 VanDerWaalsContact O-CG 3.3Å; D1868-K1872 WeakPolarHBondContact O-CG 3.48Å; D1868-K1872 PolarHBondContact O-N 3Å
1869	W	87	Confident	80.7	Confident	42 Å²	42	56.7 Å²	56.7	16%	0.159	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-47	169.1	-174.7	92.3	0	0	0	110.9	W1819 Q1820 E1823 R1824 L1827 Q1865 L1866 K1871 K1872 E1873	W1819-W1869 HydrophobicContact CH2-CB 4.03Å; W1819-W1869 HydrophobicContact CH2-CD2 4.11Å; W1819-W1869 AromaticContact CH2-CG 3.78Å; W1819-W1869 HydrophobicContact CH2-CG 3.78Å; W1819-W1869 HydrophobicContact CZ3-CB 4.28Å; W1819-W1869 AromaticContact CZ3-CD2 3.76Å; W1819-W1869 HydrophobicContact CZ3-CD2 3.76Å; W1819-W1869 AromaticContact CZ3-CE3 3.9Å; W1819-W1869 HydrophobicContact CZ3-CE3 3.9Å; W1819-W1869 AromaticContact CZ3-CG 3.91Å; W1819-W1869 HydrophobicContact CZ3-CG 3.91Å; Q1820-W1869 HydrophobicContact CB-CH2 4.29Å; Q1820-W1869 HydrophobicContact CB-CZ2 3.73Å; Q1820-W1869 HydrophobicContact CG-CD2 4.43Å; Q1820-W1869 HydrophobicContact CG-CZ2 3.83Å; Q1820-W1869 VanDerWaalsContact O-CH2 3.27Å; Q1820-W1869 WeakPolarHBondContact O-CH2 3.23Å; E1823-W1869 HydrophobicContact CB-CH2 4.48Å; E1823-W1869 HydrophobicContact CB-CZ3 3.87Å; E1823-W1869 HydrophobicContact CG-CE3 4.47Å; E1823-W1869 HydrophobicContact CG-CZ3 3.93Å; R1824-W1869 HydrophobicContact CB-CH2 4.11Å; L1827-W1869 HydrophobicContact CD1-CZ3 4.08Å; Q1865-W1869 VanDerWaalsContact O-CB 3.23Å; Q1865-W1869 WeakPolarHBondContact O-CB 3.46Å; Q1865-W1869 PolarHBondContact O-N 3.3Å; L1866-W1869 PolarHBondContact O-N 2.97Å; W1869-K1871 VanDerWaalsContact C-N 3.34Å; W1869-K1871 PolarHBondContact O-N 2.73Å; W1869-K1872 PolarHBondContact O-N 3.49Å; W1869-K1872 VanDerWaalsContact O-N 3.16Å; W1869-E1873 HydrophobicContact CD2-CB 4.42Å; W1869-E1873 HydrophobicContact CE3-CB 4.26Å; W1869-E1873 HydrophobicContact CH2-CB 4.1Å; W1869-E1873 HydrophobicContact CH2-CG 3.8Å; W1869-E1873 HydrophobicContact CZ2-CB 4.25Å; W1869-E1873 HydrophobicContact CZ2-CG 4.13Å; W1869-E1873 HydrophobicContact CZ3-CB 4.09Å; W1869-E1873 HydrophobicContact CZ3-CG 4.15Å; W1869-E1873 WeakPolarHBondContact O-CB 3.49Å; W1869-E1873 PolarHBondContact O-N 2.79Å
1870	Q	84.3	Confident	81.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-44.2	174.2	-75.3	166.7	-19.3	0	0	112.2	E1823 L1841 L1866 K1872 E1873 L1874	E1823-Q1870 HydrophobicContact CG-CG 4.11Å; E1823-Q1870 PolarHBondContact OE1-NE2 3.45Å; L1841-Q1870 HydrophobicContact CD2-CB 4.32Å; L1866-Q1870 HydrophobicContact CD1-CG 4.47Å; L1866-Q1870 WeakPolarHBondContact O-CG 3.4Å; L1866-Q1870 PolarHBondContact O-N 2.9Å; Q1870-K1872 PolarHBondContact O-N 3.23Å; Q1870-E1873 PolarHBondContact O-N 3.03Å; Q1870-L1874 VanDerWaalsContact O-CB 3.31Å; Q1870-L1874 WeakPolarHBondContact O-CB 3.41Å; Q1870-L1874 PolarHBondContact O-N 2.97Å
1871	K	83.1	Confident	81.8	Confident	64 Å²	64	46 Å²	46	28%	0.278	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-42.9	176.7	-70	159.8	-145.3	153.4	0	111.7	L1841 S1867 D1868 W1869 A1875	L1841-K1871 HydrophobicContact CD2-CG 4.16Å; S1867-K1871 WeakPolarHBondContact O-CD 3.49Å; S1867-K1871 WeakPolarHBondContact O-CE 3.46Å; S1867-K1871 WeakPolarHBondContact O-CG 3.38Å; S1867-K1871 PolarHBondContact O-N 2.97Å; S1867-K1871 VanDerWaalsContact O-N 3.08Å; S1867-K1871 PolarHBondContact OG-NZ 3.19Å; D1868-K1871 IonicContact OD1-NZ 2.65Å; D1868-K1871 PolarHBondContact OD1-NZ 2.96Å; W1869-K1871 VanDerWaalsContact C-N 3.34Å; W1869-K1871 PolarHBondContact O-N 2.73Å; K1871-A1875 WeakPolarHBondContact O-CB 3.32Å; K1871-A1875 PolarHBondContact O-N 3.4Å; K1871-A1875 VanDerWaalsContact O-N 3.08Å
1872	K	82.4	Confident	81.7	Confident	155 Å²	155	54 Å²	54	67%	0.674	26%	0.258	S	S	*	.	H	α-helix	trans	-68	-45.5	177.1	-74.3	173.6	-179.2	179.8	0	112	D1868 W1869 Q1870 A1875 R1876	D1868-K1872 WeakPolarHBondContact O-CB 3.37Å; D1868-K1872 VanDerWaalsContact O-CG 3.3Å; D1868-K1872 WeakPolarHBondContact O-CG 3.48Å; D1868-K1872 PolarHBondContact O-N 3Å; W1869-K1872 PolarHBondContact O-N 3.49Å; W1869-K1872 VanDerWaalsContact O-N 3.16Å; Q1870-K1872 PolarHBondContact O-N 3.23Å; K1872-A1875 WeakPolarHBondContact O-CB 3.44Å; K1872-A1875 PolarHBondContact O-N 2.89Å; K1872-R1876 WeakPolarHBondContact O-CB 3.41Å; K1872-R1876 PolarHBondContact O-N 3.18Å
1873	E	83.9	Confident	81.3	Confident	9 Å²	9	57 Å²	57	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-43.6	-179.6	-176.8	61.9	-160.7	0	0	111.2	R1824 L1827 W1869 Q1870 A1875 R1876 I1877	R1824-E1873 IonicContact CZ-OE1 3.52Å; R1824-E1873 IonicContact CZ-OE2 3.36Å; R1824-E1873 IonicContact NE-OE1 3.31Å; R1824-E1873 PolarHBondContact NE-OE1 3.22Å; R1824-E1873 IonicContact NE-OE2 3.59Å; R1824-E1873 VanDerWaalsContact NH2-CD 3.28Å; R1824-E1873 IonicContact NH2-OE1 2.8Å; R1824-E1873 PolarHBondContact NH2-OE1 3.07Å; R1824-E1873 IonicContact NH2-OE2 2.66Å; R1824-E1873 PolarHBondContact NH2-OE2 2.96Å; L1827-E1873 HydrophobicContact CD1-CB 4.02Å; L1827-E1873 HydrophobicContact CD1-CG 3.81Å; W1869-E1873 HydrophobicContact CD2-CB 4.42Å; W1869-E1873 HydrophobicContact CE3-CB 4.26Å; W1869-E1873 HydrophobicContact CH2-CB 4.1Å; W1869-E1873 HydrophobicContact CH2-CG 3.8Å; W1869-E1873 HydrophobicContact CZ2-CB 4.25Å; W1869-E1873 HydrophobicContact CZ2-CG 4.13Å; W1869-E1873 HydrophobicContact CZ3-CB 4.09Å; W1869-E1873 HydrophobicContact CZ3-CG 4.15Å; W1869-E1873 WeakPolarHBondContact O-CB 3.49Å; W1869-E1873 PolarHBondContact O-N 2.79Å; Q1870-E1873 PolarHBondContact O-N 3.03Å; E1873-A1875 VanDerWaalsContact C-N 3.29Å; E1873-A1875 PolarHBondContact O-N 3.44Å; E1873-R1876 WeakPolarHBondContact O-CB 3.31Å; E1873-R1876 PolarHBondContact O-N 3.47Å; E1873-R1876 VanDerWaalsContact O-N 3.12Å; E1873-R1876 IonicContact OE1-CZ 3.03Å; E1873-R1876 IonicContact OE1-NE 2.74Å; E1873-R1876 PolarHBondContact OE1-NE 2.94Å; E1873-R1876 IonicContact OE1-NH2 2.78Å; E1873-R1876 PolarHBondContact OE1-NH2 2.9Å; E1873-R1876 IonicContact OE2-CZ 2.69Å; E1873-R1876 IonicContact OE2-NE 3.16Å; E1873-R1876 PolarHBondContact OE2-NE 3.16Å; E1873-R1876 IonicContact OE2-NH2 2.66Å; E1873-I1877 HydrophobicContact CG-CD1 4.09Å; E1873-I1877 VanDerWaalsContact O-CG1 3.32Å; E1873-I1877 WeakPolarHBondContact O-CG1 3.39Å; E1873-I1877 PolarHBondContact O-N 2.92Å
1874	L	84.3	Confident	80.8	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-34.3	173.8	-166.8	74.7	0	0	0	111.6	L1827 I1831 Q1838 L1841 Q1870 N1878	L1827-L1874 HydrophobicContact CD2-CD1 4.43Å; I1831-L1874 HydrophobicContact CD1-CD1 4.08Å; I1831-L1874 HydrophobicContact CG1-CD1 4.42Å; Q1838-L1874 HydrophobicContact CG-CD2 3.97Å; L1841-L1874 HydrophobicContact CB-CD2 3.84Å; L1841-L1874 HydrophobicContact CD1-CD2 4.25Å; L1841-L1874 HydrophobicContact CD2-CB 4.35Å; L1841-L1874 HydrophobicContact CD2-CD2 3.9Å; L1841-L1874 HydrophobicContact CG-CD2 4.2Å; Q1870-L1874 VanDerWaalsContact O-CB 3.31Å; Q1870-L1874 WeakPolarHBondContact O-CB 3.41Å; Q1870-L1874 PolarHBondContact O-N 2.97Å; L1874-N1878 WeakPolarHBondContact O-CB 3.25Å; L1874-N1878 PolarHBondContact O-N 3.25Å; L1874-N1878 PolarHBondContact O-ND2 2.85Å
1875	A	81.7	Confident	80.3	Confident	27 Å²	27	52.8 Å²	52.8	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-43.5	171	0	0	0	0	0	111.8	K1871 K1872 E1873 N1878 Q1879	K1871-A1875 WeakPolarHBondContact O-CB 3.32Å; K1871-A1875 PolarHBondContact O-N 3.4Å; K1871-A1875 VanDerWaalsContact O-N 3.08Å; K1872-A1875 WeakPolarHBondContact O-CB 3.44Å; K1872-A1875 PolarHBondContact O-N 2.89Å; E1873-A1875 VanDerWaalsContact C-N 3.29Å; E1873-A1875 PolarHBondContact O-N 3.44Å; A1875-N1878 WeakPolarHBondContact O-CB 3.13Å; A1875-N1878 PolarHBondContact O-N 3.05Å; A1875-Q1879 WeakPolarHBondContact O-CG 3.45Å; A1875-Q1879 PolarHBondContact O-N 3.47Å
1876	R	82.5	Confident	80.2	Confident	25 Å²	25	47.9 Å²	47.9	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-43.8	176.9	-162.8	-169.9	71.6	73.7	9.4	111.7	K1872 E1873 Q1879 L1880 L1951 S1952	K1872-R1876 WeakPolarHBondContact O-CB 3.41Å; K1872-R1876 PolarHBondContact O-N 3.18Å; E1873-R1876 WeakPolarHBondContact O-CB 3.31Å; E1873-R1876 PolarHBondContact O-N 3.47Å; E1873-R1876 VanDerWaalsContact O-N 3.12Å; E1873-R1876 IonicContact OE1-CZ 3.03Å; E1873-R1876 IonicContact OE1-NE 2.74Å; E1873-R1876 PolarHBondContact OE1-NE 2.94Å; E1873-R1876 IonicContact OE1-NH2 2.78Å; E1873-R1876 PolarHBondContact OE1-NH2 2.9Å; E1873-R1876 IonicContact OE2-CZ 2.69Å; E1873-R1876 IonicContact OE2-NE 3.16Å; E1873-R1876 PolarHBondContact OE2-NE 3.16Å; E1873-R1876 IonicContact OE2-NH2 2.66Å; R1876-Q1879 PolarHBondContact O-N 2.79Å; R1876-L1880 WeakPolarHBondContact O-CB 3.11Å; R1876-L1880 PolarHBondContact O-N 3.46Å; R1876-L1951 PolarHBondContact NH1-O 3.08Å; R1876-L1951 PolarHBondContact NH2-O 2.68Å; R1876-S1952 PolarHBondContact NH2-O 2.77Å; R1876-S1952 VanDerWaalsContact NH2-O 3.17Å
1877	I	83.4	Confident	80	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-40.3	175	-64.2	168.4	0	0	0	110.9	L1827 Y1828 I1831 E1873 L1880 A1881 L1891	L1827-I1877 HydrophobicContact CB-CD1 4.45Å; Y1828-I1877 HydrophobicContact CD2-CD1 4.46Å; Y1828-I1877 HydrophobicContact CE1-CD1 4.28Å; Y1828-I1877 HydrophobicContact CE1-CG1 4.44Å; Y1828-I1877 HydrophobicContact CE1-CG2 3.96Å; Y1828-I1877 HydrophobicContact CE2-CD1 3.98Å; Y1828-I1877 HydrophobicContact CE2-CG1 4.46Å; I1831-I1877 HydrophobicContact CD1-CG2 3.69Å; E1873-I1877 HydrophobicContact CG-CD1 4.09Å; E1873-I1877 VanDerWaalsContact O-CG1 3.32Å; E1873-I1877 WeakPolarHBondContact O-CG1 3.39Å; E1873-I1877 PolarHBondContact O-N 2.92Å; I1877-L1880 WeakPolarHBondContact O-CB 3.12Å; I1877-L1880 PolarHBondContact O-N 3.31Å; I1877-A1881 PolarHBondContact O-N 3.27Å; I1877-L1891 HydrophobicContact CG2-CD2 4.05Å
1878	N	81.6	Confident	79.8	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.134	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-39.8	173.7	-89.7	-85.1	0	0	0	112.7	L1874 A1875 R1882 Q1888	L1874-N1878 WeakPolarHBondContact O-CB 3.25Å; L1874-N1878 PolarHBondContact O-N 3.25Å; L1874-N1878 PolarHBondContact O-ND2 2.85Å; A1875-N1878 WeakPolarHBondContact O-CB 3.13Å; A1875-N1878 PolarHBondContact O-N 3.05Å; N1878-R1882 WeakPolarHBondContact O-CB 3.38Å; N1878-R1882 WeakPolarHBondContact O-CD 3.34Å; N1878-R1882 WeakPolarHBondContact O-CG 3.44Å; N1878-R1882 PolarHBondContact O-N 2.89Å; N1878-Q1888 PolarHBondContact ND2-NE2 3.33Å; N1878-Q1888 VanDerWaalsContact ND2-NE2 3.18Å; N1878-Q1888 PolarHBondContact OD1-NE2 2.96Å
1879	Q	77.8	Confident	79.7	Confident	108 Å²	108	48.4 Å²	48.4	51%	0.505	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-41.8	172.2	-72.4	169.3	-27.7	0	0	110.8	A1875 R1876 R1882 Y1883 L1958	A1875-Q1879 WeakPolarHBondContact O-CG 3.45Å; A1875-Q1879 PolarHBondContact O-N 3.47Å; R1876-Q1879 PolarHBondContact O-N 2.79Å; Q1879-R1882 PolarHBondContact O-N 3Å; Q1879-Y1883 WeakPolarHBondContact O-CB 3.49Å; Q1879-Y1883 PolarHBondContact O-N 3.43Å; Q1879-L1958 HydrophobicContact CB-CD2 4.12Å
1880	L	80.8	Confident	79.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-51.2	177.7	-138.2	97	0	0	0	112.5	R1876 I1877 R1882 Y1883 Y1884 L1891 L1948 L1951 L1958	R1876-L1880 WeakPolarHBondContact O-CB 3.11Å; R1876-L1880 PolarHBondContact O-N 3.46Å; I1877-L1880 WeakPolarHBondContact O-CB 3.12Å; I1877-L1880 PolarHBondContact O-N 3.31Å; L1880-R1882 PolarHBondContact O-N 2.98Å; L1880-Y1883 PolarHBondContact O-N 2.97Å; L1880-Y1884 HydrophobicContact CG-CD2 4.44Å; L1880-Y1884 WeakPolarHBondContact O-CD2 3.32Å; L1880-Y1884 PolarHBondContact O-N 2.61Å; L1880-L1891 HydrophobicContact CB-CD2 4.01Å; L1880-L1891 HydrophobicContact CD2-CD1 3.79Å; L1880-L1891 HydrophobicContact CD2-CD2 3.75Å; L1880-L1891 HydrophobicContact CD2-CG 4.41Å; L1880-L1891 HydrophobicContact CG-CD2 4.5Å; L1880-L1948 HydrophobicContact CD2-CD1 3.9Å; L1880-L1951 HydrophobicContact CD1-CB 3.79Å; L1880-L1951 HydrophobicContact CD1-CD2 4.31Å; L1880-L1951 HydrophobicContact CD2-CB 4.15Å; L1880-L1951 HydrophobicContact CG-CB 4.41Å; L1880-L1958 HydrophobicContact CD1-CD1 3.35Å; L1880-L1958 HydrophobicContact CG-CD1 4.18Å
1881	A	81.3	Confident	79.1	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-46.6	-179.5	0	0	0	0	0	110.7	I1877 Y1883 Y1884 G1885 M1886 Q1888 L1891	I1877-A1881 PolarHBondContact O-N 3.27Å; A1881-Y1883 PolarHBondContact O-N 2.84Å; A1881-Y1884 PolarHBondContact O-N 2.85Å; A1881-G1885 PolarHBondContact O-N 3.22Å; A1881-G1885 VanDerWaalsContact O-N 3.08Å; A1881-M1886 CarbonylContact C-O 3.6Å; A1881-M1886 PolarHBondContact O-N 3.48Å; A1881-M1886 VanDerWaalsContact O-O 3.13Å; A1881-Q1888 HydrophobicContact CB-CG 4.49Å; A1881-L1891 HydrophobicContact CB-CD2 4.21Å
1882	R	76	Confident	79.1	Confident	196 Å²	196	45.4 Å²	45.4	74%	0.74	23%	0.231	S	C	*	.	H	α-helix	trans	-61.5	-42.3	175	-70	170.9	-173.1	-171	2.4	112.7	N1878 Q1879 L1880 Y1884 G1885	N1878-R1882 WeakPolarHBondContact O-CB 3.38Å; N1878-R1882 WeakPolarHBondContact O-CD 3.34Å; N1878-R1882 WeakPolarHBondContact O-CG 3.44Å; N1878-R1882 PolarHBondContact O-N 2.89Å; Q1879-R1882 PolarHBondContact O-N 3Å; L1880-R1882 PolarHBondContact O-N 2.98Å; R1882-Y1884 VanDerWaalsContact C-N 3.32Å; R1882-Y1884 PolarHBondContact O-N 3.26Å; R1882-G1885 PolarHBondContact O-N 3.48Å
1883	Y	70.4	Confident	78.9	Confident	114 Å²	114	43.1 Å²	43.1	45%	0.447	22%	0.222	S	C	.	.	H	α-helix	trans	-64.4	-34.6	-179.4	-175.6	-88.8	0	0	0	112.5	Q1879 L1880 A1881 L1958	Q1879-Y1883 WeakPolarHBondContact O-CB 3.49Å; Q1879-Y1883 PolarHBondContact O-N 3.43Å; L1880-Y1883 PolarHBondContact O-N 2.97Å; A1881-Y1883 PolarHBondContact O-N 2.84Å; Y1883-L1958 HydrophobicContact CD2-CD2 4.17Å; Y1883-L1958 HydrophobicContact CG-CD2 4.37Å
1884	Y	69.5	Low	78.8	Confident	49 Å²	49	43 Å²	43	19%	0.192	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	5.4	177.4	-73.9	-70.1	0	0	0	115	L1880 A1881 R1882 M1886 W1944 L1948 L1951	L1880-Y1884 HydrophobicContact CG-CD2 4.44Å; L1880-Y1884 WeakPolarHBondContact O-CD2 3.32Å; L1880-Y1884 PolarHBondContact O-N 2.61Å; A1881-Y1884 PolarHBondContact O-N 2.85Å; R1882-Y1884 VanDerWaalsContact C-N 3.32Å; R1882-Y1884 PolarHBondContact O-N 3.26Å; Y1884-M1886 PolarHBondContact O-N 2.95Å; Y1884-W1944 AromaticContact CD1-NE1 3.34Å; Y1884-W1944 VanDerWaalsContact CD1-NE1 3.34Å; Y1884-W1944 AromaticContact CE1-CD1 3.69Å; Y1884-W1944 AromaticContact CE1-NE1 3.21Å; Y1884-L1948 HydrophobicContact CD2-CD1 3.36Å; Y1884-L1948 HydrophobicContact CE2-CD1 3.5Å; Y1884-L1948 VanDerWaalsContact CE2-CD1 3.5Å; Y1884-L1948 HydrophobicContact CG-CD1 3.93Å; Y1884-L1951 HydrophobicContact CE2-CD1 3.84Å; Y1884-L1951 WeakPolarHBondContact OH-CD1 3.32Å
1885	G	69.4	Low	78.5	Confident	75 Å²	75	43.3 Å²	43.3	77%	0.773	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	18.9	-177.6	0	0	0	0	0	114.1	A1881 R1882	A1881-G1885 PolarHBondContact O-N 3.22Å; A1881-G1885 VanDerWaalsContact O-N 3.08Å; R1882-G1885 PolarHBondContact O-N 3.48Å
1886	M	76.9	Confident	78.3	Confident	13 Å²	13	43.4 Å²	43.4	6%	0.064	22%	0.219	C	C	.	.			trans	-90.6	148.8	179.6	-71.6	174.6	151.6	0	0	110.5	A1881 Y1884 D1890 L1891 F1894 Y1934 W1944 L1948	A1881-M1886 CarbonylContact C-O 3.6Å; A1881-M1886 PolarHBondContact O-N 3.48Å; A1881-M1886 VanDerWaalsContact O-O 3.13Å; Y1884-M1886 PolarHBondContact O-N 2.95Å; M1886-D1890 HydrophobicContact CB-CB 4.08Å; M1886-D1890 HydrophobicContact CG-CB 4.33Å; M1886-L1891 HydrophobicContact CB-CB 4.37Å; M1886-L1891 HydrophobicContact SD-CB 4.09Å; M1886-L1891 HydrophobicContact SD-CD1 3.98Å; M1886-F1894 HydrophobicContact CE-CB 4.16Å; M1886-F1894 HydrophobicContact CE-CD2 4.27Å; M1886-F1894 HydrophobicContact CE-CG 4.22Å; M1886-Y1934 HydrophobicContact CE-CE1 3.77Å; M1886-Y1934 HydrophobicContact CE-CE2 3.84Å; M1886-Y1934 VanDerWaalsContact CE-OH 3.24Å; M1886-Y1934 WeakPolarHBondContact CE-OH 3.22Å; M1886-Y1934 HydrophobicContact CG-CE1 4.16Å; M1886-W1944 HydrophobicContact CE-CH2 3.78Å; M1886-W1944 HydrophobicContact CE-CZ2 3.85Å; M1886-L1948 HydrophobicContact CE-CD2 3.51Å; M1886-L1948 HydrophobicContact SD-CD2 3.78Å
1887	S	79.5	Confident	77.8	Confident	48 Å²	48	43.3 Å²	43.3	34%	0.336	23%	0.225	S	C	.	.			trans	-67.4	160	155.4	67	0	0	0	0	109.9	S1889 D1890 L1891	S1887-S1889 PolarHBondContact O-N 2.93Å; S1887-S1889 PolarHBondContact OG-OG 3.21Å; S1887-D1890 PolarHBondContact N-OD2 3.26Å; S1887-D1890 PolarHBondContact O-N 3.42Å; S1887-D1890 WeakPolarHBondContact OG-CB 3.34Å; S1887-D1890 PolarHBondContact OG-N 3.4Å; S1887-D1890 PolarHBondContact OG-OD2 2.93Å; S1887-L1891 PolarHBondContact O-N 3.03Å
1888	Q	80	Confident	77.4	Confident	30 Å²	30	44.1 Å²	44.1	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-37.8	175.3	-62.5	178.5	-9.4	0	0	111.2	I1831 N1878 A1881 L1891 Q1892	I1831-Q1888 HydrophobicContact CD1-CB 4.4Å; I1831-Q1888 HydrophobicContact CG1-CB 4.45Å; I1831-Q1888 HydrophobicContact CG2-CB 3.52Å; I1831-Q1888 WeakPolarHBondContact CG2-O 3.45Å; N1878-Q1888 PolarHBondContact ND2-NE2 3.33Å; N1878-Q1888 VanDerWaalsContact ND2-NE2 3.18Å; N1878-Q1888 PolarHBondContact OD1-NE2 2.96Å; A1881-Q1888 HydrophobicContact CB-CG 4.49Å; Q1888-L1891 WeakPolarHBondContact O-CB 3.23Å; Q1888-L1891 PolarHBondContact O-N 3.15Å; Q1888-Q1892 PolarHBondContact O-N 2.7Å
1889	S	77.8	Confident	76.8	Confident	32 Å²	32	46 Å²	46	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-72.6	-32.4	177.2	47.1	0	0	0	0	113.3	S1887 Q1892 Q1893	S1887-S1889 PolarHBondContact O-N 2.93Å; S1887-S1889 PolarHBondContact OG-OG 3.21Å; S1889-Q1892 PolarHBondContact O-N 3.15Å; S1889-Q1893 WeakPolarHBondContact O-CB 3.37Å; S1889-Q1893 WeakPolarHBondContact O-CG 3.45Å; S1889-Q1893 PolarHBondContact O-N 2.85Å
1890	D	76.6	Confident	76.2	Confident	30 Å²	30	46.6 Å²	46.6	16%	0.16	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-40.1	168.7	-75.4	-54.2	0	0	0	112	M1886 S1887 Q1892 Q1893 F1894 R1933	M1886-D1890 HydrophobicContact CB-CB 4.08Å; M1886-D1890 HydrophobicContact CG-CB 4.33Å; S1887-D1890 PolarHBondContact N-OD2 3.26Å; S1887-D1890 PolarHBondContact O-N 3.42Å; S1887-D1890 WeakPolarHBondContact OG-CB 3.34Å; S1887-D1890 PolarHBondContact OG-N 3.4Å; S1887-D1890 PolarHBondContact OG-OD2 2.93Å; D1890-Q1892 VanDerWaalsContact C-N 3.33Å; D1890-Q1893 PolarHBondContact O-N 2.83Å; D1890-F1894 VanDerWaalsContact O-CB 3.25Å; D1890-F1894 WeakPolarHBondContact O-CB 3.21Å; D1890-F1894 PolarHBondContact O-N 3.13Å; D1890-R1933 IonicContact OD1-CZ 2.81Å; D1890-R1933 IonicContact OD1-NH1 3.19Å; D1890-R1933 PolarHBondContact OD1-NH1 3.37Å; D1890-R1933 IonicContact OD1-NH2 2.74Å; D1890-R1933 PolarHBondContact OD1-NH2 2.77Å; D1890-R1933 IonicContact OD2-NH2 3.5Å
1891	L	83.3	Confident	75.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-36	176.7	175.6	62.3	0	0	0	112	Y1828 I1877 L1880 A1881 M1886 S1887 Q1888 F1894 R1895 L1948	Y1828-L1891 HydrophobicContact CE1-CD2 4.19Å; Y1828-L1891 HydrophobicContact CE1-CG 4.18Å; I1877-L1891 HydrophobicContact CG2-CD2 4.05Å; L1880-L1891 HydrophobicContact CB-CD2 4.01Å; L1880-L1891 HydrophobicContact CD2-CD1 3.79Å; L1880-L1891 HydrophobicContact CD2-CD2 3.75Å; L1880-L1891 HydrophobicContact CD2-CG 4.41Å; L1880-L1891 HydrophobicContact CG-CD2 4.5Å; A1881-L1891 HydrophobicContact CB-CD2 4.21Å; M1886-L1891 HydrophobicContact CB-CB 4.37Å; M1886-L1891 HydrophobicContact SD-CB 4.09Å; M1886-L1891 HydrophobicContact SD-CD1 3.98Å; S1887-L1891 PolarHBondContact O-N 3.03Å; Q1888-L1891 WeakPolarHBondContact O-CB 3.23Å; Q1888-L1891 PolarHBondContact O-N 3.15Å; L1891-F1894 WeakPolarHBondContact O-CB 3.49Å; L1891-R1895 WeakPolarHBondContact O-CB 3.25Å; L1891-R1895 PolarHBondContact O-N 2.92Å; L1891-L1948 HydrophobicContact CD1-CD1 3.74Å; L1891-L1948 HydrophobicContact CD1-CD2 4.39Å; L1891-L1948 HydrophobicContact CD1-CG 4.19Å
1892	Q	82.5	Confident	74.6	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.056	25%	0.25	C	C	.	.	H	α-helix	trans	-71.6	-47.7	172.7	179.8	-166.5	-6.2	0	0	112.3	Y1828 I1831 Q1888 S1889 D1890 F1894 R1895 E1896	Y1828-Q1892 HydrophobicContact CD1-CB 4.27Å; Y1828-Q1892 PolarHBondContact O-NE2 3.06Å; Y1828-Q1892 PolarHBondContact O-OE1 2.66Å; I1831-Q1892 HydrophobicContact CG2-CB 4.47Å; Q1888-Q1892 PolarHBondContact O-N 2.7Å; S1889-Q1892 PolarHBondContact O-N 3.15Å; D1890-Q1892 VanDerWaalsContact C-N 3.33Å; Q1892-F1894 PolarHBondContact O-N 3.03Å; Q1892-R1895 PolarHBondContact O-N 3Å; Q1892-E1896 HydrophobicContact CG-CG 4.31Å; Q1892-E1896 WeakPolarHBondContact CG-OE1 3.48Å; Q1892-E1896 PolarHBondContact NE2-OE1 3.11Å; Q1892-E1896 WeakPolarHBondContact O-CG 3.46Å; Q1892-E1896 PolarHBondContact O-N 3.05Å
1893	Q	78.1	Confident	73.7	Confident	107 Å²	107	41.5 Å²	41.5	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-55.8	-36.3	175.6	-76.2	-178.5	25.3	0	0	111	S1889 D1890 G1897	S1889-Q1893 WeakPolarHBondContact O-CB 3.37Å; S1889-Q1893 WeakPolarHBondContact O-CG 3.45Å; S1889-Q1893 PolarHBondContact O-N 2.85Å; D1890-Q1893 PolarHBondContact O-N 2.83Å; Q1893-G1897 PolarHBondContact O-N 2.8Å
1894	F	80.9	Confident	73.6	Confident	7 Å²	7	36.5 Å²	36.5	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-58.3	168.2	174.2	-86.5	0	0	0	112.1	M1886 D1890 L1891 Q1892 E1896 G1897 E1898 L1930 W1944 R1945 L1948	M1886-F1894 HydrophobicContact CE-CB 4.16Å; M1886-F1894 HydrophobicContact CE-CD2 4.27Å; M1886-F1894 HydrophobicContact CE-CG 4.22Å; D1890-F1894 VanDerWaalsContact O-CB 3.25Å; D1890-F1894 WeakPolarHBondContact O-CB 3.21Å; D1890-F1894 PolarHBondContact O-N 3.13Å; L1891-F1894 WeakPolarHBondContact O-CB 3.49Å; Q1892-F1894 PolarHBondContact O-N 3.03Å; F1894-E1896 VanDerWaalsContact C-N 3.26Å; F1894-E1896 PolarHBondContact O-N 3.07Å; F1894-G1897 WeakPolarHBondContact O-CA 3.42Å; F1894-G1897 PolarHBondContact O-N 3.06Å; F1894-E1898 HydrophobicContact CD1-CG 4.27Å; F1894-E1898 HydrophobicContact CE1-CG 3.56Å; F1894-E1898 HydrophobicContact CE2-CG 4.16Å; F1894-E1898 HydrophobicContact CZ-CG 3.46Å; F1894-E1898 VanDerWaalsContact CZ-CG 3.46Å; F1894-E1898 PolarHBondContact O-N 3.42Å; F1894-L1930 HydrophobicContact CD2-CD2 4.17Å; F1894-L1930 HydrophobicContact CE2-CD1 4.49Å; F1894-W1944 HydrophobicContact CD2-CH2 4.25Å; F1894-W1944 HydrophobicContact CD2-CZ3 4.4Å; F1894-W1944 HydrophobicContact CE2-CH2 4.14Å; F1894-W1944 AromaticContact CE2-CZ3 3.93Å; F1894-W1944 HydrophobicContact CE2-CZ3 3.93Å; F1894-R1945 HydrophobicContact CE2-CB 4.43Å; F1894-R1945 HydrophobicContact CE2-CG 3.84Å; F1894-R1945 HydrophobicContact CZ-CB 4.17Å; F1894-R1945 HydrophobicContact CZ-CG 4.09Å; F1894-L1948 HydrophobicContact CD1-CD2 3.54Å; F1894-L1948 HydrophobicContact CD1-CG 3.77Å; F1894-L1948 HydrophobicContact CD2-CD2 3.85Å; F1894-L1948 HydrophobicContact CE1-CB 3.86Å; F1894-L1948 HydrophobicContact CE1-CD2 3.58Å; F1894-L1948 HydrophobicContact CE1-CG 3.51Å; F1894-L1948 HydrophobicContact CE2-CD2 3.83Å; F1894-L1948 HydrophobicContact CG-CD2 3.73Å; F1894-L1948 HydrophobicContact CG-CG 4.45Å; F1894-L1948 HydrophobicContact CZ-CB 3.95Å; F1894-L1948 HydrophobicContact CZ-CD2 3.75Å; F1894-L1948 HydrophobicContact CZ-CG 3.97Å
1895	R	78.5	Confident	73.2	Confident	7 Å²	7	35.5 Å²	35.5	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-54.7	-40	-179	-177.5	179.7	179.5	-93.6	-2.2	112.5	D1825 Y1828 L1891 Q1892 E1898 L1899 Q1953	D1825-R1895 VanDerWaalsContact CG-NH2 3.33Å; D1825-R1895 IonicContact OD1-CZ 3.12Å; D1825-R1895 IonicContact OD1-NH1 3.35Å; D1825-R1895 PolarHBondContact OD1-NH1 3.06Å; D1825-R1895 IonicContact OD1-NH2 3.84Å; D1825-R1895 PolarHBondContact OD1-NH2 3.17Å; D1825-R1895 IonicContact OD2-NH2 2.72Å; Y1828-R1895 VanDerWaalsContact CD2-CD 3.46Å; L1891-R1895 WeakPolarHBondContact O-CB 3.25Å; L1891-R1895 PolarHBondContact O-N 2.92Å; Q1892-R1895 PolarHBondContact O-N 3Å; R1895-E1898 PolarHBondContact O-N 3.37Å; R1895-L1899 HydrophobicContact CG-CD1 4.22Å; R1895-L1899 WeakPolarHBondContact O-CG 3.43Å; R1895-L1899 PolarHBondContact O-N 3.24Å; R1895-Q1953 VanDerWaalsContact NE-OE1 3.07Å
1896	E	76.8	Confident	72.2	Confident	30 Å²	30	33.9 Å²	33.9	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-72.1	-35	177	-68.1	-171.1	-152	0	0	113.1	K528 Q1892 F1894 R1900	K528-E1896 IonicContact NZ-OE1 2.75Å; K528-E1896 PolarHBondContact NZ-OE1 3.13Å; K528-E1896 IonicContact NZ-OE2 3.81Å; K528-E1896 PolarHBondContact NZ-OE2 2.84Å; Q1892-E1896 HydrophobicContact CG-CG 4.31Å; Q1892-E1896 WeakPolarHBondContact CG-OE1 3.48Å; Q1892-E1896 PolarHBondContact NE2-OE1 3.11Å; Q1892-E1896 WeakPolarHBondContact O-CG 3.46Å; Q1892-E1896 PolarHBondContact O-N 3.05Å; F1894-E1896 VanDerWaalsContact C-N 3.26Å; F1894-E1896 PolarHBondContact O-N 3.07Å; E1896-R1900 WeakPolarHBondContact O-CB 3.49Å; E1896-R1900 VanDerWaalsContact O-CG 3.26Å; E1896-R1900 WeakPolarHBondContact O-CG 3.29Å; E1896-R1900 PolarHBondContact O-N 2.58Å
1897	G	73	Confident	70.8	Confident	22 Å²	22	35.1 Å²	35.1	23%	0.227	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-42.2	170.7	0	0	0	0	0	112.2	Q1893 F1894 Q1901	Q1893-G1897 PolarHBondContact O-N 2.8Å; F1894-G1897 WeakPolarHBondContact O-CA 3.42Å; F1894-G1897 PolarHBondContact O-N 3.06Å; G1897-Q1901 PolarHBondContact O-N 2.89Å
1898	E	74.8	Confident	70	Confident	17 Å²	17	38 Å²	38	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-52.9	173.2	-58.2	-48.1	118.6	0	0	111.6	F1894 R1895 R1900 Q1901 L1902 R1945 Y1949	F1894-E1898 HydrophobicContact CD1-CG 4.27Å; F1894-E1898 HydrophobicContact CE1-CG 3.56Å; F1894-E1898 HydrophobicContact CE2-CG 4.16Å; F1894-E1898 HydrophobicContact CZ-CG 3.46Å; F1894-E1898 VanDerWaalsContact CZ-CG 3.46Å; F1894-E1898 PolarHBondContact O-N 3.42Å; R1895-E1898 PolarHBondContact O-N 3.37Å; E1898-R1900 VanDerWaalsContact C-N 3.27Å; E1898-R1900 PolarHBondContact O-N 3.09Å; E1898-Q1901 CarbonylContact O-C 3.5Å; E1898-Q1901 WeakPolarHBondContact O-CA 3.45Å; E1898-Q1901 PolarHBondContact O-N 3.34Å; E1898-L1902 VanDerWaalsContact O-CG 3.32Å; E1898-L1902 WeakPolarHBondContact O-CG 3.21Å; E1898-L1902 PolarHBondContact O-N 2.94Å; E1898-R1945 VanDerWaalsContact CD-NE 3.34Å; E1898-R1945 VanDerWaalsContact CD-NH2 3.25Å; E1898-R1945 IonicContact OE1-CZ 3.35Å; E1898-R1945 IonicContact OE1-NE 3.9Å; E1898-R1945 PolarHBondContact OE1-NE 2.94Å; E1898-R1945 IonicContact OE1-NH2 3.92Å; E1898-R1945 PolarHBondContact OE1-NH2 2.84Å; E1898-R1945 IonicContact OE2-CZ 3.39Å; E1898-R1945 VanDerWaalsContact OE2-CZ 3.32Å; E1898-R1945 IonicContact OE2-NE 3.11Å; E1898-R1945 PolarHBondContact OE2-NE 3.08Å; E1898-R1945 IonicContact OE2-NH2 2.71Å; E1898-R1945 PolarHBondContact OE2-NH2 3.01Å; E1898-R1945 VanDerWaalsContact OE2-NH2 3.13Å; E1898-Y1949 HydrophobicContact CB-CD2 3.54Å; E1898-Y1949 HydrophobicContact CB-CE2 3.98Å; E1898-Y1949 HydrophobicContact CB-CG 4.19Å; E1898-Y1949 HydrophobicContact CG-CD2 3.99Å; E1898-Y1949 HydrophobicContact CG-CG 4.4Å
1899	L	68.5	Low	68.7	Low	64 Å²	64	41.8 Å²	41.8	34%	0.335	21%	0.205	S	C	.	.	H	α-helix	trans	-54.3	-42.8	178.4	-77.3	166.7	0	0	0	112.3	R1895 L1902 A1903 Y1949	R1895-L1899 HydrophobicContact CG-CD1 4.22Å; R1895-L1899 WeakPolarHBondContact O-CG 3.43Å; R1895-L1899 PolarHBondContact O-N 3.24Å; L1899-L1902 PolarHBondContact O-N 2.85Å; L1899-A1903 PolarHBondContact O-N 3.28Å; L1899-Y1949 HydrophobicContact CD2-CE2 4.27Å; L1899-Y1949 VanDerWaalsContact CD2-OH 3.29Å; L1899-Y1949 WeakPolarHBondContact CD2-OH 3.29Å; L1899-Y1949 HydrophobicContact CG-CE2 4.13Å
1900	R	66.7	Low	67.1	Low	122 Å²	122	45.2 Å²	45.2	46%	0.46	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-41.7	175	-79.8	178.3	172.5	154.1	0.5	112.2	E1896 E1898 A1903 Y1904 W1919	E1896-R1900 WeakPolarHBondContact O-CB 3.49Å; E1896-R1900 VanDerWaalsContact O-CG 3.26Å; E1896-R1900 WeakPolarHBondContact O-CG 3.29Å; E1896-R1900 PolarHBondContact O-N 2.58Å; E1898-R1900 VanDerWaalsContact C-N 3.27Å; E1898-R1900 PolarHBondContact O-N 3.09Å; R1900-A1903 PolarHBondContact O-N 2.82Å; R1900-Y1904 PolarHBondContact O-N 3.32Å; R1900-W1919 HydrophobicContact CB-CH2 4.03Å; R1900-W1919 WeakPolarHBondContact O-CH2 3.33Å
1901	Q	67.2	Low	66.2	Low	30 Å²	30	45.5 Å²	45.5	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-40.1	173.9	171.4	164.4	-1.1	0	0	112.8	G1897 E1898 A1903 Y1904 I1905 H1923	G1897-Q1901 PolarHBondContact O-N 2.89Å; E1898-Q1901 CarbonylContact O-C 3.5Å; E1898-Q1901 WeakPolarHBondContact O-CA 3.45Å; E1898-Q1901 PolarHBondContact O-N 3.34Å; Q1901-A1903 VanDerWaalsContact C-N 3.3Å; Q1901-A1903 PolarHBondContact O-N 2.94Å; Q1901-Y1904 PolarHBondContact O-N 3.28Å; Q1901-I1905 HydrophobicContact CG-CD1 3.91Å; Q1901-I1905 HydrophobicContact CG-CG1 4.38Å; Q1901-I1905 WeakPolarHBondContact O-CG1 3.46Å; Q1901-I1905 PolarHBondContact O-N 3.39Å; Q1901-H1923 VanDerWaalsContact CD-CE1 3.41Å; Q1901-H1923 PolarHBondContact NE2-CE1 3.08Å; Q1901-H1923 VanDerWaalsContact NE2-CE1 3.32Å; Q1901-H1923 PolarHBondContact NE2-NE2 3.02Å; Q1901-H1923 PolarHBondContact OE1-CE1 2.86Å; Q1901-H1923 PolarHBondContact OE1-ND1 3.34Å; Q1901-H1923 PolarHBondContact OE1-NE2 3.23Å
1902	L	60.8	Low	65.3	Low	34 Å²	34	47.8 Å²	47.8	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-46.8	176.3	-63.5	170.6	0	0	0	109.1	E1898 L1899 Y1904 I1905 N1906 Y1949 Q1992	E1898-L1902 VanDerWaalsContact O-CG 3.32Å; E1898-L1902 WeakPolarHBondContact O-CG 3.21Å; E1898-L1902 PolarHBondContact O-N 2.94Å; L1899-L1902 PolarHBondContact O-N 2.85Å; L1902-Y1904 PolarHBondContact O-N 2.96Å; L1902-I1905 PolarHBondContact O-N 3.03Å; L1902-N1906 WeakPolarHBondContact O-CB 3.46Å; L1902-N1906 PolarHBondContact O-N 2.99Å; L1902-N1906 PolarHBondContact O-OD1 3.02Å; L1902-Y1949 HydrophobicContact CD1-CE1 3.75Å; L1902-Y1949 HydrophobicContact CD1-CE2 4.23Å; L1902-Y1949 WeakPolarHBondContact CD1-OH 3.4Å; L1902-Q1992 VanDerWaalsContact CD2-CD 3.41Å; L1902-Q1992 HydrophobicContact CD2-CG 4.2Å; L1902-Q1992 VanDerWaalsContact CD2-OE1 3.24Å; L1902-Q1992 PolarHBondContact O-NE2 2.83Å
1903	A	57.7	Low	64.4	Low	29 Å²	29	50.7 Å²	50.7	24%	0.24	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-44.4	173	0	0	0	0	0	113.3	L1899 R1900 Q1901 I1905 N1906 H1907	L1899-A1903 PolarHBondContact O-N 3.28Å; R1900-A1903 PolarHBondContact O-N 2.82Å; Q1901-A1903 VanDerWaalsContact C-N 3.3Å; Q1901-A1903 PolarHBondContact O-N 2.94Å; A1903-I1905 PolarHBondContact O-N 3.2Å; A1903-N1906 WeakPolarHBondContact O-CB 3.44Å; A1903-N1906 PolarHBondContact O-N 3.06Å; A1903-H1907 PolarHBondContact O-CD2 2.85Å; A1903-H1907 PolarHBondContact O-N 3.48Å; A1903-H1907 VanDerWaalsContact O-N 3.11Å
1904	Y	66.4	Low	64.2	Low	9 Å²	9	49 Å²	49	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-46.8	175.7	169.5	-112.5	0	0	0	112.6	R1900 Q1901 L1902 N1906 H1907 R1908 L1911 A1916 W1919 E1920	R1900-Y1904 PolarHBondContact O-N 3.32Å; Q1901-Y1904 PolarHBondContact O-N 3.28Å; L1902-Y1904 PolarHBondContact O-N 2.96Å; Y1904-N1906 VanDerWaalsContact C-N 3.27Å; Y1904-N1906 PolarHBondContact O-N 3.49Å; Y1904-H1907 CarbonylContact O-C 3.58Å; Y1904-H1907 PolarHBondContact O-N 3.38Å; Y1904-H1907 VanDerWaalsContact O-N 3.16Å; Y1904-R1908 HydrophobicContact CE2-CB 4.47Å; Y1904-R1908 HydrophobicContact CE2-CG 4.3Å; Y1904-R1908 PolarHBondContact O-N 2.9Å; Y1904-R1908 WeakPolarHBondContact OH-CD 3.37Å; Y1904-R1908 PolarHBondContact OH-NE 3.47Å; Y1904-L1911 HydrophobicContact CD2-CD1 3.57Å; Y1904-L1911 HydrophobicContact CE2-CD1 3.71Å; Y1904-A1916 PolarHBondContact OH-O 2.87Å; Y1904-W1919 HydrophobicContact CD1-CB 4.5Å; Y1904-W1919 HydrophobicContact CD1-CD2 4.43Å; Y1904-W1919 HydrophobicContact CD1-CE3 4.09Å; Y1904-W1919 HydrophobicContact CD2-CB 3.55Å; Y1904-W1919 AromaticContact CD2-CD1 3.72Å; Y1904-W1919 AromaticContact CD2-CD2 3.56Å; Y1904-W1919 HydrophobicContact CD2-CD2 3.56Å; Y1904-W1919 HydrophobicContact CD2-CE3 4.05Å; Y1904-W1919 AromaticContact CD2-CG 3.32Å; Y1904-W1919 HydrophobicContact CD2-CG 3.32Å; Y1904-W1919 HydrophobicContact CE1-CB 4.34Å; Y1904-W1919 HydrophobicContact CE2-CB 3.35Å; Y1904-W1919 HydrophobicContact CE2-CD2 4.32Å; Y1904-W1919 AromaticContact CE2-CG 3.68Å; Y1904-W1919 HydrophobicContact CE2-CG 3.68Å; Y1904-W1919 HydrophobicContact CG-CB 4.14Å; Y1904-W1919 AromaticContact CG-CD2 3.63Å; Y1904-W1919 HydrophobicContact CG-CD2 3.63Å; Y1904-W1919 AromaticContact CG-CE3 3.63Å; Y1904-W1919 HydrophobicContact CG-CE3 3.63Å; Y1904-W1919 AromaticContact CG-CG 3.89Å; Y1904-W1919 HydrophobicContact CG-CG 3.89Å; Y1904-W1919 HydrophobicContact CG-CZ3 4.17Å; Y1904-E1920 PolarHBondContact OH-OE1 3.34Å
1905	I	62.6	Low	63.8	Low	27 Å²	27	50.4 Å²	50.4	14%	0.138	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-43.7	175.7	-69.9	167.1	0	0	0	110.3	Q1901 L1902 A1903 H1907 R1908 H1995	Q1901-I1905 HydrophobicContact CG-CD1 3.91Å; Q1901-I1905 HydrophobicContact CG-CG1 4.38Å; Q1901-I1905 WeakPolarHBondContact O-CG1 3.46Å; Q1901-I1905 PolarHBondContact O-N 3.39Å; L1902-I1905 PolarHBondContact O-N 3.03Å; A1903-I1905 PolarHBondContact O-N 3.2Å; I1905-H1907 PolarHBondContact O-N 2.83Å; I1905-R1908 PolarHBondContact O-N 3.42Å; I1905-H1995 VanDerWaalsContact CG2-CE1 3.41Å; I1905-H1995 WeakPolarHBondContact CG2-CE1 3.36Å
1906	N	47	Very low	63.4	Low	41 Å²	41	50.7 Å²	50.7	22%	0.219	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-23.3	-179.5	-64.2	4.4	0	0	0	113.6	L1902 A1903 Y1904 D1991 Q1992 P1993	L1902-N1906 WeakPolarHBondContact O-CB 3.46Å; L1902-N1906 PolarHBondContact O-N 2.99Å; L1902-N1906 PolarHBondContact O-OD1 3.02Å; A1903-N1906 WeakPolarHBondContact O-CB 3.44Å; A1903-N1906 PolarHBondContact O-N 3.06Å; Y1904-N1906 VanDerWaalsContact C-N 3.27Å; Y1904-N1906 PolarHBondContact O-N 3.49Å; N1906-D1991 PolarHBondContact ND2-O 3.05Å; N1906-Q1992 WeakPolarHBondContact OD1-CA 3.13Å; N1906-Q1992 WeakPolarHBondContact OD1-CB 3.5Å; N1906-Q1992 WeakPolarHBondContact OD1-CG 3.34Å; N1906-Q1992 PolarHBondContact OD1-NE2 3.22Å; N1906-P1993 HydrophobicContact CB-CG 4.01Å; N1906-P1993 WeakPolarHBondContact ND2-CD 3.4Å; N1906-P1993 VanDerWaalsContact OD1-CD 3.26Å; N1906-P1993 WeakPolarHBondContact OD1-CD 3.41Å
1907	H	48.4	Very low	63.2	Low	39 Å²	39	54.5 Å²	54.5	18%	0.181	30%	0.296	C	S	.	.	H	α-helix	trans	-116.3	6.6	-178.5	-64.9	-75.4	0	0	0	114.3	R521 A1903 Y1904 I1905 Q1909 L1910 L1911	R521-H1907 PolarHBondContact NH2-CD2 3.44Å; R521-H1907 PolarHBondContact NH2-NE2 3.12Å; A1903-H1907 PolarHBondContact O-CD2 2.85Å; A1903-H1907 PolarHBondContact O-N 3.48Å; A1903-H1907 VanDerWaalsContact O-N 3.11Å; Y1904-H1907 CarbonylContact O-C 3.58Å; Y1904-H1907 PolarHBondContact O-N 3.38Å; Y1904-H1907 VanDerWaalsContact O-N 3.16Å; I1905-H1907 PolarHBondContact O-N 2.83Å; H1907-Q1909 PolarHBondContact O-N 2.85Å; H1907-L1910 CarbonylContact O-C 3.55Å; H1907-L1910 WeakPolarHBondContact O-CA 3.32Å; H1907-L1910 PolarHBondContact O-N 3.47Å; H1907-L1911 HydrophobicContact CB-CD1 4.35Å; H1907-L1911 HydrophobicContact CB-CG 4.37Å; H1907-L1911 WeakPolarHBondContact O-CG 3.38Å; H1907-L1911 PolarHBondContact O-N 2.87Å
1908	R	62.6	Low	63.4	Low	109 Å²	109	60.6 Å²	60.6	41%	0.411	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.7	-174.6	-170.1	172.7	-177.6	-112.2	5	114.1	Y1904 I1905 E1920	Y1904-R1908 HydrophobicContact CE2-CB 4.47Å; Y1904-R1908 HydrophobicContact CE2-CG 4.3Å; Y1904-R1908 PolarHBondContact O-N 2.9Å; Y1904-R1908 WeakPolarHBondContact OH-CD 3.37Å; Y1904-R1908 PolarHBondContact OH-NE 3.47Å; I1905-R1908 PolarHBondContact O-N 3.42Å; R1908-E1920 IonicContact CZ-OE1 2.71Å; R1908-E1920 IonicContact NE-OE1 3.91Å; R1908-E1920 PolarHBondContact NE-OE1 3.37Å; R1908-E1920 IonicContact NH2-OE1 2.72Å; R1908-E1920 PolarHBondContact NH2-OE1 2.99Å
1909	Q	52.4	Low	63.3	Low	110 Å²	110	63.1 Å²	63.1	51%	0.514	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.1	172.8	-66.8	176.4	-14.6	0	0	114.3	H1907 T1996	H1907-Q1909 PolarHBondContact O-N 2.85Å; Q1909-T1996 PolarHBondContact NE2-OG1 2.8Å
1910	L	45.1	Very low	63.3	Low	104 Å²	104	63 Å²	63	55%	0.545	32%	0.323	S	S	.	.	S	Bend	trans	-117	7.1	-171.7	-59.4	172.6	0	0	0	112.5	H1907	H1907-L1910 CarbonylContact O-C 3.55Å; H1907-L1910 WeakPolarHBondContact O-CA 3.32Å; H1907-L1910 PolarHBondContact O-N 3.47Å
1911	L	57.6	Low	63.8	Low	36 Å²	36	63.7 Å²	63.7	19%	0.188	33%	0.329	C	S	.	.	S	Bend	trans	-108	136.8	178.4	-70.6	167.9	0	0	0	109	Y1904 H1907 E1915	Y1904-L1911 HydrophobicContact CD2-CD1 3.57Å; Y1904-L1911 HydrophobicContact CE2-CD1 3.71Å; H1907-L1911 HydrophobicContact CB-CD1 4.35Å; H1907-L1911 HydrophobicContact CB-CG 4.37Å; H1907-L1911 WeakPolarHBondContact O-CG 3.38Å; H1907-L1911 PolarHBondContact O-N 2.87Å; L1911-E1915 HydrophobicContact CB-CB 4.33Å; L1911-E1915 HydrophobicContact CD2-CB 4.4Å; L1911-E1915 VanDerWaalsContact CD2-OE2 3.28Å; L1911-E1915 WeakPolarHBondContact CD2-OE2 3.16Å
1912	S	63.3	Low	64.1	Low	48 Å²	48	70.3 Å²	70.3	34%	0.336	35%	0.353	S	S	.	.			trans	-55.6	150.7	173.3	73.8	0	0	0	0	111.4	A1914 E1915 A1916	S1912-A1914 PolarHBondContact O-N 3.41Å; S1912-A1914 VanDerWaalsContact O-N 3.1Å; S1912-E1915 PolarHBondContact O-N 3.36Å; S1912-E1915 PolarHBondContact OG-N 2.86Å; S1912-A1916 PolarHBondContact O-N 3.48Å
1913	A	64.2	Low	64.5	Low	72 Å²	72	70.7 Å²	70.7	60%	0.595	35%	0.354	S	S	*	.	H	α-helix	trans	-57.6	-30.7	-178.4	0	0	0	0	0	113.1	Q1917	A1913-Q1917 WeakPolarHBondContact O-CG 3.34Å; A1913-Q1917 PolarHBondContact O-N 2.9Å
1914	A	73.7	Confident	65	Low	73 Å²	73	75.1 Å²	75.1	60%	0.603	37%	0.37	S	S	*	.	H	α-helix	trans	-68.2	-44.6	174.4	0	0	0	0	0	112.2	S1912 Q1917 K1918	S1912-A1914 PolarHBondContact O-N 3.41Å; S1912-A1914 VanDerWaalsContact O-N 3.1Å; A1914-Q1917 PolarHBondContact O-N 3.47Å; A1914-K1918 VanDerWaalsContact O-CB 3.31Å; A1914-K1918 WeakPolarHBondContact O-CB 3.26Å; A1914-K1918 PolarHBondContact O-N 3.25Å
1915	E	73.3	Confident	65.3	Low	35 Å²	35	82 Å²	82	16%	0.164	40%	0.395	C	S	.	.	H	α-helix	trans	-65.4	-40.2	173.3	-77	-150.5	102.2	0	0	112.3	L1911 S1912 Q1917 K1918 W1919	L1911-E1915 HydrophobicContact CB-CB 4.33Å; L1911-E1915 HydrophobicContact CD2-CB 4.4Å; L1911-E1915 VanDerWaalsContact CD2-OE2 3.28Å; L1911-E1915 WeakPolarHBondContact CD2-OE2 3.16Å; S1912-E1915 PolarHBondContact O-N 3.36Å; S1912-E1915 PolarHBondContact OG-N 2.86Å; E1915-Q1917 PolarHBondContact O-N 3.05Å; E1915-K1918 WeakPolarHBondContact O-CB 3.43Å; E1915-K1918 PolarHBondContact O-N 2.99Å; E1915-W1919 WeakPolarHBondContact O-CB 3.38Å; E1915-W1919 PolarHBondContact O-N 3.25Å
1916	A	68.9	Low	65.6	Low	14 Å²	14	82.6 Å²	82.6	12%	0.116	40%	0.401	C	S	.	.	H	α-helix	trans	-59.3	-46.6	175.6	0	0	0	0	0	111.6	Y1904 S1912 W1919 E1920	Y1904-A1916 PolarHBondContact OH-O 2.87Å; S1912-A1916 PolarHBondContact O-N 3.48Å; A1916-W1919 WeakPolarHBondContact O-CB 3.15Å; A1916-W1919 PolarHBondContact O-N 3.21Å; A1916-E1920 WeakPolarHBondContact O-CG 3.46Å; A1916-E1920 PolarHBondContact O-N 2.85Å
1917	Q	73.1	Confident	66.5	Low	110 Å²	110	82.3 Å²	82.3	51%	0.514	40%	0.399	S	S	.	.	H	α-helix	trans	-64.2	-39.9	174	-75.2	-168.6	14	0	0	113.1	A1913 A1914 E1915 W1919 E1920 K1921	A1913-Q1917 WeakPolarHBondContact O-CG 3.34Å; A1913-Q1917 PolarHBondContact O-N 2.9Å; A1914-Q1917 PolarHBondContact O-N 3.47Å; E1915-Q1917 PolarHBondContact O-N 3.05Å; Q1917-W1919 VanDerWaalsContact C-N 3.28Å; Q1917-W1919 PolarHBondContact O-N 2.76Å; Q1917-E1920 PolarHBondContact O-N 2.71Å; Q1917-K1921 WeakPolarHBondContact O-CB 3.34Å; Q1917-K1921 WeakPolarHBondContact O-CG 3.41Å; Q1917-K1921 PolarHBondContact O-N 3Å
1918	K	77.4	Confident	67.5	Low	150 Å²	150	83.3 Å²	83.3	65%	0.652	41%	0.41	S	S	*	.	H	α-helix	trans	-61.8	-38.9	176.4	-169.8	177.2	-177.1	-179.9	0	110.7	A1914 E1915 R1922	A1914-K1918 VanDerWaalsContact O-CB 3.31Å; A1914-K1918 WeakPolarHBondContact O-CB 3.26Å; A1914-K1918 PolarHBondContact O-N 3.25Å; E1915-K1918 WeakPolarHBondContact O-CB 3.43Å; E1915-K1918 PolarHBondContact O-N 2.99Å; K1918-R1922 WeakPolarHBondContact O-CB 3.44Å; K1918-R1922 PolarHBondContact O-N 3.21Å; K1918-R1922 VanDerWaalsContact O-N 3.11Å
1919	W	72.7	Confident	68.1	Low	70 Å²	70	83.2 Å²	83.2	27%	0.265	41%	0.41	S	S	.	.	H	α-helix	trans	-68.8	-43.3	172.3	-104.5	105.5	0	0	0	113.5	R1900 Y1904 E1915 A1916 Q1917 R1922 H1923	R1900-W1919 HydrophobicContact CB-CH2 4.03Å; R1900-W1919 WeakPolarHBondContact O-CH2 3.33Å; Y1904-W1919 HydrophobicContact CD1-CB 4.5Å; Y1904-W1919 HydrophobicContact CD1-CD2 4.43Å; Y1904-W1919 HydrophobicContact CD1-CE3 4.09Å; Y1904-W1919 HydrophobicContact CD2-CB 3.55Å; Y1904-W1919 AromaticContact CD2-CD1 3.72Å; Y1904-W1919 AromaticContact CD2-CD2 3.56Å; Y1904-W1919 HydrophobicContact CD2-CD2 3.56Å; Y1904-W1919 HydrophobicContact CD2-CE3 4.05Å; Y1904-W1919 AromaticContact CD2-CG 3.32Å; Y1904-W1919 HydrophobicContact CD2-CG 3.32Å; Y1904-W1919 HydrophobicContact CE1-CB 4.34Å; Y1904-W1919 HydrophobicContact CE2-CB 3.35Å; Y1904-W1919 HydrophobicContact CE2-CD2 4.32Å; Y1904-W1919 AromaticContact CE2-CG 3.68Å; Y1904-W1919 HydrophobicContact CE2-CG 3.68Å; Y1904-W1919 HydrophobicContact CG-CB 4.14Å; Y1904-W1919 AromaticContact CG-CD2 3.63Å; Y1904-W1919 HydrophobicContact CG-CD2 3.63Å; Y1904-W1919 AromaticContact CG-CE3 3.63Å; Y1904-W1919 HydrophobicContact CG-CE3 3.63Å; Y1904-W1919 AromaticContact CG-CG 3.89Å; Y1904-W1919 HydrophobicContact CG-CG 3.89Å; Y1904-W1919 HydrophobicContact CG-CZ3 4.17Å; E1915-W1919 WeakPolarHBondContact O-CB 3.38Å; E1915-W1919 PolarHBondContact O-N 3.25Å; A1916-W1919 WeakPolarHBondContact O-CB 3.15Å; A1916-W1919 PolarHBondContact O-N 3.21Å; Q1917-W1919 VanDerWaalsContact C-N 3.28Å; Q1917-W1919 PolarHBondContact O-N 2.76Å; W1919-R1922 CarbonylContact O-C 3.55Å; W1919-R1922 PolarHBondContact O-N 2.96Å; W1919-H1923 VanDerWaalsContact O-CB 3.26Å; W1919-H1923 WeakPolarHBondContact O-CB 3.49Å; W1919-H1923 PolarHBondContact O-N 3.48Å
1920	E	68.6	Low	68.9	Low	61 Å²	61	78.8 Å²	78.8	29%	0.285	39%	0.389	S	S	.	.	H	α-helix	trans	-64.3	-42.6	177.8	-76.5	176.3	-170.1	0	0	111.5	Y1904 R1908 A1916 Q1917 R1922 H1923 Q1924	Y1904-E1920 PolarHBondContact OH-OE1 3.34Å; R1908-E1920 IonicContact CZ-OE1 2.71Å; R1908-E1920 IonicContact NE-OE1 3.91Å; R1908-E1920 PolarHBondContact NE-OE1 3.37Å; R1908-E1920 IonicContact NH2-OE1 2.72Å; R1908-E1920 PolarHBondContact NH2-OE1 2.99Å; A1916-E1920 WeakPolarHBondContact O-CG 3.46Å; A1916-E1920 PolarHBondContact O-N 2.85Å; Q1917-E1920 PolarHBondContact O-N 2.71Å; E1920-R1922 PolarHBondContact O-N 3.15Å; E1920-H1923 PolarHBondContact O-N 3.02Å; E1920-Q1924 WeakPolarHBondContact O-CB 3.32Å; E1920-Q1924 VanDerWaalsContact O-CG 3.25Å; E1920-Q1924 WeakPolarHBondContact O-CG 3.18Å; E1920-Q1924 PolarHBondContact O-N 3.04Å
1921	K	76	Confident	70.2	Confident	137 Å²	137	75.7 Å²	75.7	60%	0.596	37%	0.372	S	S	*	.	H	α-helix	trans	-58.2	-45.2	171	-72	172.9	-178.4	174.6	0	111.6	Q1917 Q1924 W1925	Q1917-K1921 WeakPolarHBondContact O-CB 3.34Å; Q1917-K1921 WeakPolarHBondContact O-CG 3.41Å; Q1917-K1921 PolarHBondContact O-N 3Å; K1921-Q1924 PolarHBondContact O-N 3.01Å; K1921-W1925 WeakPolarHBondContact O-CB 3.38Å; K1921-W1925 PolarHBondContact O-N 2.92Å
1922	R	74.2	Confident	70.9	Confident	169 Å²	169	78.7 Å²	78.7	64%	0.638	40%	0.396	S	S	*	.	H	α-helix	trans	-67.3	-34.9	176.9	-166.1	175.3	-167.8	161	6.7	112.7	K1918 W1919 E1920 T1926	K1918-R1922 WeakPolarHBondContact O-CB 3.44Å; K1918-R1922 PolarHBondContact O-N 3.21Å; K1918-R1922 VanDerWaalsContact O-N 3.11Å; W1919-R1922 CarbonylContact O-C 3.55Å; W1919-R1922 PolarHBondContact O-N 2.96Å; E1920-R1922 PolarHBondContact O-N 3.15Å; R1922-T1926 WeakPolarHBondContact O-CB 3.38Å; R1922-T1926 PolarHBondContact O-N 3.46Å; R1922-T1926 PolarHBondContact O-OG1 2.66Å
1923	H	69.3	Low	71.2	Confident	41 Å²	41	81.8 Å²	81.8	19%	0.19	40%	0.4	C	S	.	.	H	α-helix	trans	-70.2	-43.7	176.7	-179.5	9	0	0	0	110.9	Q1901 W1919 E1920 T1926 L1927	Q1901-H1923 VanDerWaalsContact CD-CE1 3.41Å; Q1901-H1923 PolarHBondContact NE2-CE1 3.08Å; Q1901-H1923 VanDerWaalsContact NE2-CE1 3.32Å; Q1901-H1923 PolarHBondContact NE2-NE2 3.02Å; Q1901-H1923 PolarHBondContact OE1-CE1 2.86Å; Q1901-H1923 PolarHBondContact OE1-ND1 3.34Å; Q1901-H1923 PolarHBondContact OE1-NE2 3.23Å; W1919-H1923 VanDerWaalsContact O-CB 3.26Å; W1919-H1923 WeakPolarHBondContact O-CB 3.49Å; W1919-H1923 PolarHBondContact O-N 3.48Å; E1920-H1923 PolarHBondContact O-N 3.02Å; H1923-T1926 PolarHBondContact O-N 3.47Å; H1923-L1927 WeakPolarHBondContact CE1-CD1 3.27Å; H1923-L1927 VanDerWaalsContact CE1-CG 3.41Å; H1923-L1927 WeakPolarHBondContact CE1-CG 3.39Å; H1923-L1927 WeakPolarHBondContact O-CB 3.24Å; H1923-L1927 WeakPolarHBondContact O-CG 3.34Å; H1923-L1927 PolarHBondContact O-N 2.88Å
1924	Q	69.2	Low	71.5	Confident	123 Å²	123	80.9 Å²	80.9	58%	0.575	38%	0.382	S	S	*	.	H	α-helix	trans	-61.6	-43.2	173.4	-72	171.5	8.1	0	0	111.5	E1920 K1921 T1926 L1927 S1928	E1920-Q1924 WeakPolarHBondContact O-CB 3.32Å; E1920-Q1924 VanDerWaalsContact O-CG 3.25Å; E1920-Q1924 WeakPolarHBondContact O-CG 3.18Å; E1920-Q1924 PolarHBondContact O-N 3.04Å; K1921-Q1924 PolarHBondContact O-N 3.01Å; Q1924-T1926 PolarHBondContact O-N 2.89Å; Q1924-L1927 PolarHBondContact O-N 2.85Å; Q1924-S1928 WeakPolarHBondContact O-CB 3.45Å; Q1924-S1928 PolarHBondContact O-N 3.48Å; Q1924-S1928 PolarHBondContact O-OG 3.46Å; Q1924-S1928 VanDerWaalsContact O-OG 3.1Å
1925	W	71.6	Confident	70.9	Confident	152 Å²	152	79.8 Å²	79.8	58%	0.576	38%	0.377	S	S	*	.	H	α-helix	trans	-59.5	-44.3	171.6	-177.4	86.6	0	0	0	112.1	K1921 S1928 R1929	K1921-W1925 WeakPolarHBondContact O-CB 3.38Å; K1921-W1925 PolarHBondContact O-N 2.92Å; W1925-S1928 WeakPolarHBondContact CA-OG 3.24Å; W1925-S1928 PolarHBondContact O-N 3.22Å; W1925-S1928 PolarHBondContact O-OG 2.84Å; W1925-R1929 WeakPolarHBondContact O-CB 3.47Å; W1925-R1929 PolarHBondContact O-N 3.31Å
1926	T	68.5	Low	70.8	Confident	41 Å²	41	81.2 Å²	81.2	25%	0.252	38%	0.383	S	S	.	.	H	α-helix	trans	-67.7	-39.3	178.3	-52.7	0	0	0	0	112	R1922 H1923 Q1924 R1929 L1930	R1922-T1926 WeakPolarHBondContact O-CB 3.38Å; R1922-T1926 PolarHBondContact O-N 3.46Å; R1922-T1926 PolarHBondContact O-OG1 2.66Å; H1923-T1926 PolarHBondContact O-N 3.47Å; Q1924-T1926 PolarHBondContact O-N 2.89Å; T1926-R1929 PolarHBondContact O-N 3.45Å; T1926-L1930 WeakPolarHBondContact O-CG 3.14Å; T1926-L1930 PolarHBondContact O-N 3.18Å
1927	L	67	Low	70.6	Confident	35 Å²	35	82.8 Å²	82.8	18%	0.183	39%	0.387	C	S	.	.	H	α-helix	trans	-59.7	-54.6	172.7	-79.2	168.1	0	0	0	110.6	H1923 Q1924 R1929 L1930 Q1931 L1941	H1923-L1927 WeakPolarHBondContact CE1-CD1 3.27Å; H1923-L1927 VanDerWaalsContact CE1-CG 3.41Å; H1923-L1927 WeakPolarHBondContact CE1-CG 3.39Å; H1923-L1927 WeakPolarHBondContact O-CB 3.24Å; H1923-L1927 WeakPolarHBondContact O-CG 3.34Å; H1923-L1927 PolarHBondContact O-N 2.88Å; Q1924-L1927 PolarHBondContact O-N 2.85Å; L1927-R1929 VanDerWaalsContact C-N 3.27Å; L1927-R1929 PolarHBondContact O-N 2.99Å; L1927-L1930 CarbonylContact O-C 3.55Å; L1927-L1930 PolarHBondContact O-N 3.35Å; L1927-Q1931 VanDerWaalsContact O-CG 3.27Å; L1927-Q1931 WeakPolarHBondContact O-CG 3.17Å; L1927-Q1931 PolarHBondContact O-N 3.45Å; L1927-L1941 HydrophobicContact CD2-CD2 3.55Å; L1927-L1941 HydrophobicContact CD2-CG 4.36Å
1928	S	69.4	Low	70	Confident	59 Å²	59	78.4 Å²	78.4	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-34.6	-179.8	64.7	0	0	0	0	112.7	Q1924 W1925 Q1931 S1932	Q1924-S1928 WeakPolarHBondContact O-CB 3.45Å; Q1924-S1928 PolarHBondContact O-N 3.48Å; Q1924-S1928 PolarHBondContact O-OG 3.46Å; Q1924-S1928 VanDerWaalsContact O-OG 3.1Å; W1925-S1928 WeakPolarHBondContact CA-OG 3.24Å; W1925-S1928 PolarHBondContact O-N 3.22Å; W1925-S1928 PolarHBondContact O-OG 2.84Å; S1928-Q1931 PolarHBondContact O-N 2.9Å; S1928-S1932 WeakPolarHBondContact O-CB 3.38Å; S1928-S1932 PolarHBondContact O-N 3.39Å; S1928-S1932 PolarHBondContact O-OG 2.97Å
1929	R	74.5	Confident	68.9	Low	107 Å²	107	75.8 Å²	75.8	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-69.6	-33.1	172	-170.7	175.8	177	-144.8	-4.5	113.8	W1925 T1926 L1927 S1932 R1933	W1925-R1929 WeakPolarHBondContact O-CB 3.47Å; W1925-R1929 PolarHBondContact O-N 3.31Å; T1926-R1929 PolarHBondContact O-N 3.45Å; L1927-R1929 VanDerWaalsContact C-N 3.27Å; L1927-R1929 PolarHBondContact O-N 2.99Å; R1929-S1932 PolarHBondContact O-OG 3.13Å; R1929-R1933 WeakPolarHBondContact O-CB 3.38Å; R1929-R1933 PolarHBondContact O-N 3.18Å
1930	L	69.9	Low	68	Low	17 Å²	17	74.1 Å²	74.1	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-75.8	-35	172.2	-68.5	174.6	0	0	0	111.8	F1894 T1926 L1927 R1933 Y1934 L1941 R1945	F1894-L1930 HydrophobicContact CD2-CD2 4.17Å; F1894-L1930 HydrophobicContact CE2-CD1 4.49Å; T1926-L1930 WeakPolarHBondContact O-CG 3.14Å; T1926-L1930 PolarHBondContact O-N 3.18Å; L1927-L1930 CarbonylContact O-C 3.55Å; L1927-L1930 PolarHBondContact O-N 3.35Å; L1930-R1933 PolarHBondContact O-N 3.2Å; L1930-Y1934 HydrophobicContact CD2-CD2 4.01Å; L1930-Y1934 HydrophobicContact CD2-CE2 3.77Å; L1930-Y1934 WeakPolarHBondContact O-CD2 3.3Å; L1930-Y1934 PolarHBondContact O-N 2.86Å; L1930-L1941 HydrophobicContact CB-CD1 3.77Å; L1930-R1945 HydrophobicContact CD1-CG 4.35Å
1931	Q	71	Confident	68	Low	40 Å²	40	71.2 Å²	71.2	19%	0.187	34%	0.344	C	S	.	.	H	α-helix	trans	-60	-50.6	172.2	-70.2	173.4	2.1	0	0	110.6	L1927 S1928 R1933 G1935 K1936 F1937 L1941	L1927-Q1931 VanDerWaalsContact O-CG 3.27Å; L1927-Q1931 WeakPolarHBondContact O-CG 3.17Å; L1927-Q1931 PolarHBondContact O-N 3.45Å; S1928-Q1931 PolarHBondContact O-N 2.9Å; Q1931-R1933 VanDerWaalsContact C-N 3.35Å; Q1931-R1933 PolarHBondContact O-N 2.76Å; Q1931-G1935 WeakPolarHBondContact O-CA 3.36Å; Q1931-G1935 PolarHBondContact O-N 3.1Å; Q1931-K1936 WeakPolarHBondContact CA-O 3.5Å; Q1931-K1936 WeakPolarHBondContact CG-O 3.37Å; Q1931-F1937 HydrophobicContact CB-CD1 3.78Å; Q1931-F1937 HydrophobicContact CB-CE1 3.84Å; Q1931-F1937 HydrophobicContact CG-CD1 3.67Å; Q1931-F1937 HydrophobicContact CG-CE1 4.26Å; Q1931-F1937 HydrophobicContact CG-CG 4.28Å; Q1931-L1941 HydrophobicContact CG-CD2 3.56Å
1932	S	72.6	Confident	67.3	Low	98 Å²	98	66.9 Å²	66.9	69%	0.685	33%	0.329	S	S	*	.	H	α-helix	trans	-68.3	-29.3	-180	68.9	0	0	0	0	113.8	S1928 R1929	S1928-S1932 WeakPolarHBondContact O-CB 3.38Å; S1928-S1932 PolarHBondContact O-N 3.39Å; S1928-S1932 PolarHBondContact O-OG 2.97Å; R1929-S1932 PolarHBondContact O-OG 3.13Å
1933	R	70.3	Confident	66.5	Low	113 Å²	113	61 Å²	61	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-79.1	-38.8	175.8	-89	-176.4	147.2	-162.6	-15.8	114.6	D1890 R1929 L1930 Q1931	D1890-R1933 IonicContact OD1-CZ 2.81Å; D1890-R1933 IonicContact OD1-NH1 3.19Å; D1890-R1933 PolarHBondContact OD1-NH1 3.37Å; D1890-R1933 IonicContact OD1-NH2 2.74Å; D1890-R1933 PolarHBondContact OD1-NH2 2.77Å; D1890-R1933 IonicContact OD2-NH2 3.5Å; R1929-R1933 WeakPolarHBondContact O-CB 3.38Å; R1929-R1933 PolarHBondContact O-N 3.18Å; L1930-R1933 PolarHBondContact O-N 3.2Å; Q1931-R1933 VanDerWaalsContact C-N 3.35Å; Q1931-R1933 PolarHBondContact O-N 2.76Å
1934	Y	70	Confident	66.7	Low	54 Å²	54	59.7 Å²	59.7	21%	0.212	31%	0.31	C	S	.	.	H	α-helix	trans	-119	-0.7	-166	-58.9	-68	0	0	0	114.8	M1886 L1930 K1936 W1944	M1886-Y1934 HydrophobicContact CE-CE1 3.77Å; M1886-Y1934 HydrophobicContact CE-CE2 3.84Å; M1886-Y1934 VanDerWaalsContact CE-OH 3.24Å; M1886-Y1934 WeakPolarHBondContact CE-OH 3.22Å; M1886-Y1934 HydrophobicContact CG-CE1 4.16Å; L1930-Y1934 HydrophobicContact CD2-CD2 4.01Å; L1930-Y1934 HydrophobicContact CD2-CE2 3.77Å; L1930-Y1934 WeakPolarHBondContact O-CD2 3.3Å; L1930-Y1934 PolarHBondContact O-N 2.86Å; Y1934-K1936 PolarHBondContact O-N 3.42Å; Y1934-K1936 VanDerWaalsContact O-N 3.12Å; Y1934-W1944 AromaticContact CD1-CH2 4Å; Y1934-W1944 HydrophobicContact CD1-CH2 4Å; Y1934-W1944 HydrophobicContact CD1-CZ2 4.1Å; Y1934-W1944 AromaticContact CD2-CH2 3.32Å; Y1934-W1944 HydrophobicContact CD2-CH2 3.32Å; Y1934-W1944 HydrophobicContact CD2-CZ2 4.23Å; Y1934-W1944 AromaticContact CD2-CZ3 3.81Å; Y1934-W1944 HydrophobicContact CD2-CZ3 3.81Å; Y1934-W1944 HydrophobicContact CE1-CH2 4.39Å; Y1934-W1944 AromaticContact CE2-CH2 3.76Å; Y1934-W1944 HydrophobicContact CE2-CH2 3.76Å; Y1934-W1944 AromaticContact CG-CH2 3.46Å; Y1934-W1944 HydrophobicContact CG-CH2 3.46Å; Y1934-W1944 VanDerWaalsContact CG-CH2 3.46Å; Y1934-W1944 AromaticContact CG-CZ2 3.96Å; Y1934-W1944 HydrophobicContact CG-CZ2 3.96Å; Y1934-W1944 HydrophobicContact CG-CZ3 4.09Å
1935	G	61.4	Low	66.8	Low	49 Å²	49	54.3 Å²	54.3	51%	0.505	28%	0.284	S	S	.	.	S	Bend	trans	65.7	13.8	176.2	0	0	0	0	0	114.5	Q1931 F1937	Q1931-G1935 WeakPolarHBondContact O-CA 3.36Å; Q1931-G1935 PolarHBondContact O-N 3.1Å; G1935-F1937 WeakPolarHBondContact O-CD2 3.47Å; G1935-F1937 WeakPolarHBondContact O-CE2 3.43Å
1936	K	71.9	Confident	66.4	Low	66 Å²	66	51.6 Å²	51.6	29%	0.287	27%	0.274	S	S	.	.			trans	-109.1	140.6	178.2	-61.2	-171	-177.2	-170	0	109.6	Q1931 Y1934 L1941 W1944	Q1931-K1936 WeakPolarHBondContact CA-O 3.5Å; Q1931-K1936 WeakPolarHBondContact CG-O 3.37Å; Y1934-K1936 PolarHBondContact O-N 3.42Å; Y1934-K1936 VanDerWaalsContact O-N 3.12Å; K1936-L1941 HydrophobicContact CB-CB 4.25Å; K1936-L1941 HydrophobicContact CB-CD1 4.48Å; K1936-W1944 HydrophobicContact CD-CB 3.53Å; K1936-W1944 HydrophobicContact CD-CD2 3.94Å; K1936-W1944 HydrophobicContact CD-CE3 4.38Å; K1936-W1944 HydrophobicContact CD-CG 3.57Å; K1936-W1944 VanDerWaalsContact NZ-CG 3.35Å
1937	F	63.3	Low	66.2	Low	46 Å²	46	51.5 Å²	51.5	20%	0.202	27%	0.273	C	S	.	.			trans	-130.7	161.5	-172.2	-56.5	-98.1	0	0	0	111.6	H120 P155 Q1931 G1935 Q1939 E1940 L1941	H120-F1937 HydrophobicContact CB-CB 3.96Å; H120-F1937 VanDerWaalsContact CB-O 3.24Å; H120-F1937 WeakPolarHBondContact CB-O 3.38Å; H120-F1937 WeakPolarHBondContact CD2-CB 3.3Å; P155-F1937 HydrophobicContact CB-CE1 4.34Å; Q1931-F1937 HydrophobicContact CB-CD1 3.78Å; Q1931-F1937 HydrophobicContact CB-CE1 3.84Å; Q1931-F1937 HydrophobicContact CG-CD1 3.67Å; Q1931-F1937 HydrophobicContact CG-CE1 4.26Å; Q1931-F1937 HydrophobicContact CG-CG 4.28Å; G1935-F1937 WeakPolarHBondContact O-CD2 3.47Å; G1935-F1937 WeakPolarHBondContact O-CE2 3.43Å; F1937-Q1939 PolarHBondContact O-N 3.22Å; F1937-E1940 PolarHBondContact O-N 3.31Å; F1937-L1941 VanDerWaalsContact C-CB 3.49Å; F1937-L1941 PolarHBondContact O-N 2.84Å
1938	G	60.7	Low	66.8	Low	19 Å²	19	49.8 Å²	49.8	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	28.6	-116.4	-178.5	0	0	0	0	0	117.2	H120 E1940 L1941 V1942	H120-G1938 VanDerWaalsContact ND1-CA 3.34Å; H120-G1938 WeakPolarHBondContact ND1-CA 3.44Å; G1938-E1940 PolarHBondContact O-N 3.45Å; G1938-L1941 WeakPolarHBondContact O-CB 3.43Å; G1938-L1941 PolarHBondContact O-N 3.16Å; G1938-V1942 WeakPolarHBondContact O-CB 3.47Å; G1938-V1942 VanDerWaalsContact O-CG2 3.32Å; G1938-V1942 WeakPolarHBondContact O-CG2 3.23Å; G1938-V1942 PolarHBondContact O-N 3.03Å
1939	Q	54.5	Low	67	Low	94 Å²	94	49 Å²	49	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-25.8	-174.4	-77.6	-160.4	18.5	0	0	114	Y119 H120 F1937 V1942 A1943 L2009	Y119-Q1939 HydrophobicContact CD1-CB 3.74Å; Y119-Q1939 HydrophobicContact CD1-CG 4.09Å; Y119-Q1939 HydrophobicContact CE1-CB 3.95Å; Y119-Q1939 HydrophobicContact CE1-CG 3.76Å; H120-Q1939 PolarHBondContact CE1-N 3.49Å; F1937-Q1939 PolarHBondContact O-N 3.22Å; Q1939-V1942 CarbonylContact O-C 3.51Å; Q1939-V1942 WeakPolarHBondContact O-CB 3.2Å; Q1939-V1942 PolarHBondContact O-N 2.9Å; Q1939-A1943 WeakPolarHBondContact O-CB 3.34Å; Q1939-A1943 PolarHBondContact O-N 3.2Å; Q1939-L2009 VanDerWaalsContact OE1-CD1 3.26Å
1940	E	53.7	Low	66.5	Low	36 Å²	36	45.7 Å²	45.7	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-96.2	-25.9	-176.7	-65.4	171.7	118.9	0	0	113.1	N118 Y119 H120 F1937 G1938 V1942 W1944	N118-E1940 VanDerWaalsContact C-CD 3.49Å; N118-E1940 VanDerWaalsContact C-OE1 3.27Å; N118-E1940 WeakPolarHBondContact CA-OE1 3.22Å; N118-E1940 VanDerWaalsContact CA-OE2 3.31Å; N118-E1940 WeakPolarHBondContact CA-OE2 3.44Å; N118-E1940 WeakPolarHBondContact CB-OE1 3.25Å; N118-E1940 WeakPolarHBondContact CB-OE2 3.21Å; N118-E1940 VanDerWaalsContact CG-CD 3.4Å; N118-E1940 VanDerWaalsContact CG-OE1 3.22Å; N118-E1940 PolarHBondContact ND2-OE2 2.86Å; N118-E1940 PolarHBondContact OD1-OE1 2.89Å; Y119-E1940 PolarHBondContact N-OE1 3.48Å; Y119-E1940 PolarHBondContact N-OE2 3.38Å; H120-E1940 PolarHBondContact N-OE2 3.37Å; F1937-E1940 PolarHBondContact O-N 3.31Å; G1938-E1940 PolarHBondContact O-N 3.45Å; E1940-V1942 VanDerWaalsContact C-N 3.26Å; E1940-W1944 WeakPolarHBondContact O-CB 3.49Å; E1940-W1944 PolarHBondContact O-N 3.43Å
1941	L	69.3	Low	66.5	Low	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-47.9	153.3	178	61.9	0	0	0	109.1	L1927 L1930 Q1931 K1936 F1937 G1938 W1944 R1945	L1927-L1941 HydrophobicContact CD2-CD2 3.55Å; L1927-L1941 HydrophobicContact CD2-CG 4.36Å; L1930-L1941 HydrophobicContact CB-CD1 3.77Å; Q1931-L1941 HydrophobicContact CG-CD2 3.56Å; K1936-L1941 HydrophobicContact CB-CB 4.25Å; K1936-L1941 HydrophobicContact CB-CD1 4.48Å; F1937-L1941 VanDerWaalsContact C-CB 3.49Å; F1937-L1941 PolarHBondContact O-N 2.84Å; G1938-L1941 WeakPolarHBondContact O-CB 3.43Å; G1938-L1941 PolarHBondContact O-N 3.16Å; L1941-W1944 HydrophobicContact CD1-CE3 4.02Å; L1941-W1944 HydrophobicContact CD1-CZ3 4.09Å; L1941-R1945 HydrophobicContact CD1-CG 4.08Å; L1941-R1945 HydrophobicContact CG-CG 4.31Å; L1941-R1945 WeakPolarHBondContact O-CA 3.4Å; L1941-R1945 WeakPolarHBondContact O-CB 3.49Å; L1941-R1945 WeakPolarHBondContact O-CD 3.38Å; L1941-R1945 WeakPolarHBondContact O-CG 3.17Å; L1941-R1945 PolarHBondContact O-N 3.12Å
1942	V	62.1	Low	66.8	Low	46 Å²	46	43.5 Å²	43.5	28%	0.279	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-38.4	178	166	0	0	0	0	112.5	G1938 Q1939 E1940 R1945 R1946	G1938-V1942 WeakPolarHBondContact O-CB 3.47Å; G1938-V1942 VanDerWaalsContact O-CG2 3.32Å; G1938-V1942 WeakPolarHBondContact O-CG2 3.23Å; G1938-V1942 PolarHBondContact O-N 3.03Å; Q1939-V1942 CarbonylContact O-C 3.51Å; Q1939-V1942 WeakPolarHBondContact O-CB 3.2Å; Q1939-V1942 PolarHBondContact O-N 2.9Å; E1940-V1942 VanDerWaalsContact C-N 3.26Å; V1942-R1945 PolarHBondContact O-N 3.33Å; V1942-R1946 VanDerWaalsContact CG1-NE 3.32Å; V1942-R1946 WeakPolarHBondContact O-CB 3.41Å; V1942-R1946 WeakPolarHBondContact O-CG 3.33Å; V1942-R1946 PolarHBondContact O-N 3.43Å
1943	A	56.7	Low	66.8	Low	45 Å²	45	40 Å²	40	37%	0.372	21%	0.205	S	C	.	.	H	α-helix	trans	-71.5	-47.3	177.3	0	0	0	0	0	111.1	Q1939 R1945 R1946 T1947	Q1939-A1943 WeakPolarHBondContact O-CB 3.34Å; Q1939-A1943 PolarHBondContact O-N 3.2Å; A1943-R1945 VanDerWaalsContact C-N 3.28Å; A1943-R1945 PolarHBondContact O-N 2.89Å; A1943-R1946 WeakPolarHBondContact O-CB 3.2Å; A1943-R1946 PolarHBondContact O-N 3.45Å; A1943-T1947 PolarHBondContact O-N 3.39Å; A1943-T1947 PolarHBondContact O-OG1 2.89Å
1944	W	72.5	Confident	66.5	Low	14 Å²	14	35.5 Å²	35.5	5%	0.053	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-34.6	172.1	171.7	71.6	0	0	0	112.1	Y1884 M1886 F1894 Y1934 K1936 E1940 L1941 T1947 L1948	Y1884-W1944 AromaticContact CD1-NE1 3.34Å; Y1884-W1944 VanDerWaalsContact CD1-NE1 3.34Å; Y1884-W1944 AromaticContact CE1-CD1 3.69Å; Y1884-W1944 AromaticContact CE1-NE1 3.21Å; M1886-W1944 HydrophobicContact CE-CH2 3.78Å; M1886-W1944 HydrophobicContact CE-CZ2 3.85Å; F1894-W1944 HydrophobicContact CD2-CH2 4.25Å; F1894-W1944 HydrophobicContact CD2-CZ3 4.4Å; F1894-W1944 HydrophobicContact CE2-CH2 4.14Å; F1894-W1944 AromaticContact CE2-CZ3 3.93Å; F1894-W1944 HydrophobicContact CE2-CZ3 3.93Å; Y1934-W1944 AromaticContact CD1-CH2 4Å; Y1934-W1944 HydrophobicContact CD1-CH2 4Å; Y1934-W1944 HydrophobicContact CD1-CZ2 4.1Å; Y1934-W1944 AromaticContact CD2-CH2 3.32Å; Y1934-W1944 HydrophobicContact CD2-CH2 3.32Å; Y1934-W1944 HydrophobicContact CD2-CZ2 4.23Å; Y1934-W1944 AromaticContact CD2-CZ3 3.81Å; Y1934-W1944 HydrophobicContact CD2-CZ3 3.81Å; Y1934-W1944 HydrophobicContact CE1-CH2 4.39Å; Y1934-W1944 AromaticContact CE2-CH2 3.76Å; Y1934-W1944 HydrophobicContact CE2-CH2 3.76Å; Y1934-W1944 AromaticContact CG-CH2 3.46Å; Y1934-W1944 HydrophobicContact CG-CH2 3.46Å; Y1934-W1944 VanDerWaalsContact CG-CH2 3.46Å; Y1934-W1944 AromaticContact CG-CZ2 3.96Å; Y1934-W1944 HydrophobicContact CG-CZ2 3.96Å; Y1934-W1944 HydrophobicContact CG-CZ3 4.09Å; K1936-W1944 HydrophobicContact CD-CB 3.53Å; K1936-W1944 HydrophobicContact CD-CD2 3.94Å; K1936-W1944 HydrophobicContact CD-CE3 4.38Å; K1936-W1944 HydrophobicContact CD-CG 3.57Å; K1936-W1944 VanDerWaalsContact NZ-CG 3.35Å; E1940-W1944 WeakPolarHBondContact O-CB 3.49Å; E1940-W1944 PolarHBondContact O-N 3.43Å; L1941-W1944 HydrophobicContact CD1-CE3 4.02Å; L1941-W1944 HydrophobicContact CD1-CZ3 4.09Å; W1944-T1947 PolarHBondContact O-N 2.94Å; W1944-L1948 HydrophobicContact CH2-CD2 3.82Å; W1944-L1948 HydrophobicContact CZ2-CD2 3.42Å; W1944-L1948 VanDerWaalsContact CZ2-CD2 3.42Å; W1944-L1948 WeakPolarHBondContact O-CB 3.21Å; W1944-L1948 PolarHBondContact O-N 3.41Å
1945	R	72.1	Confident	65.8	Low	9 Å²	9	37.6 Å²	37.6	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-48.4	172.7	-78.9	172.2	85.3	-153.1	1.3	110.5	F1894 E1898 L1930 L1941 V1942 A1943 Y1949	F1894-R1945 HydrophobicContact CE2-CB 4.43Å; F1894-R1945 HydrophobicContact CE2-CG 3.84Å; F1894-R1945 HydrophobicContact CZ-CB 4.17Å; F1894-R1945 HydrophobicContact CZ-CG 4.09Å; E1898-R1945 VanDerWaalsContact CD-NE 3.34Å; E1898-R1945 VanDerWaalsContact CD-NH2 3.25Å; E1898-R1945 IonicContact OE1-CZ 3.35Å; E1898-R1945 IonicContact OE1-NE 3.9Å; E1898-R1945 PolarHBondContact OE1-NE 2.94Å; E1898-R1945 IonicContact OE1-NH2 3.92Å; E1898-R1945 PolarHBondContact OE1-NH2 2.84Å; E1898-R1945 IonicContact OE2-CZ 3.39Å; E1898-R1945 VanDerWaalsContact OE2-CZ 3.32Å; E1898-R1945 IonicContact OE2-NE 3.11Å; E1898-R1945 PolarHBondContact OE2-NE 3.08Å; E1898-R1945 IonicContact OE2-NH2 2.71Å; E1898-R1945 PolarHBondContact OE2-NH2 3.01Å; E1898-R1945 VanDerWaalsContact OE2-NH2 3.13Å; L1930-R1945 HydrophobicContact CD1-CG 4.35Å; L1941-R1945 HydrophobicContact CD1-CG 4.08Å; L1941-R1945 HydrophobicContact CG-CG 4.31Å; L1941-R1945 WeakPolarHBondContact O-CA 3.4Å; L1941-R1945 WeakPolarHBondContact O-CB 3.49Å; L1941-R1945 WeakPolarHBondContact O-CD 3.38Å; L1941-R1945 WeakPolarHBondContact O-CG 3.17Å; L1941-R1945 PolarHBondContact O-N 3.12Å; V1942-R1945 PolarHBondContact O-N 3.33Å; A1943-R1945 VanDerWaalsContact C-N 3.28Å; A1943-R1945 PolarHBondContact O-N 2.89Å; R1945-Y1949 WeakPolarHBondContact O-CB 3.41Å; R1945-Y1949 PolarHBondContact O-N 3.44Å
1946	R	63.3	Low	65.2	Low	95 Å²	95	36.2 Å²	36.2	36%	0.358	19%	0.189	S	C	.	.	H	α-helix	trans	-58	-51.7	172.7	-68.9	163.9	-166.5	-159.4	5.3	111.6	V1942 A1943 Y1949 L1950 K1987	V1942-R1946 VanDerWaalsContact CG1-NE 3.32Å; V1942-R1946 WeakPolarHBondContact O-CB 3.41Å; V1942-R1946 WeakPolarHBondContact O-CG 3.33Å; V1942-R1946 PolarHBondContact O-N 3.43Å; A1943-R1946 WeakPolarHBondContact O-CB 3.2Å; A1943-R1946 PolarHBondContact O-N 3.45Å; R1946-Y1949 PolarHBondContact O-N 2.97Å; R1946-L1950 WeakPolarHBondContact O-CB 3.41Å; R1946-L1950 VanDerWaalsContact O-CG 3.23Å; R1946-L1950 WeakPolarHBondContact O-CG 3.09Å; R1946-L1950 PolarHBondContact O-N 2.93Å; R1946-K1987 HydrophobicContact CG-CG 4.49Å
1947	T	64.5	Low	64.1	Low	39 Å²	39	39.3 Å²	39.3	24%	0.239	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-47.5	-178.4	-55.4	0	0	0	0	111.7	A1943 W1944 Y1949 L1950 L1951	A1943-T1947 PolarHBondContact O-N 3.39Å; A1943-T1947 PolarHBondContact O-OG1 2.89Å; W1944-T1947 PolarHBondContact O-N 2.94Å; T1947-Y1949 VanDerWaalsContact C-N 3.32Å; T1947-Y1949 PolarHBondContact O-N 3.47Å; T1947-L1950 PolarHBondContact O-N 2.94Å; T1947-L1951 HydrophobicContact CG2-CD1 3.83Å; T1947-L1951 HydrophobicContact CG2-CG 4.42Å; T1947-L1951 WeakPolarHBondContact O-CB 3.13Å; T1947-L1951 VanDerWaalsContact O-CG 3.24Å; T1947-L1951 WeakPolarHBondContact O-CG 3.48Å; T1947-L1951 PolarHBondContact O-N 3.42Å
1948	L	78.2	Confident	63.9	Low	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-37.1	176.9	-178.7	61.1	0	0	0	111.4	L1880 Y1884 M1886 L1891 F1894 W1944 S1952	L1880-L1948 HydrophobicContact CD2-CD1 3.9Å; Y1884-L1948 HydrophobicContact CD2-CD1 3.36Å; Y1884-L1948 HydrophobicContact CE2-CD1 3.5Å; Y1884-L1948 VanDerWaalsContact CE2-CD1 3.5Å; Y1884-L1948 HydrophobicContact CG-CD1 3.93Å; M1886-L1948 HydrophobicContact CE-CD2 3.51Å; M1886-L1948 HydrophobicContact SD-CD2 3.78Å; L1891-L1948 HydrophobicContact CD1-CD1 3.74Å; L1891-L1948 HydrophobicContact CD1-CD2 4.39Å; L1891-L1948 HydrophobicContact CD1-CG 4.19Å; F1894-L1948 HydrophobicContact CD1-CD2 3.54Å; F1894-L1948 HydrophobicContact CD1-CG 3.77Å; F1894-L1948 HydrophobicContact CD2-CD2 3.85Å; F1894-L1948 HydrophobicContact CE1-CB 3.86Å; F1894-L1948 HydrophobicContact CE1-CD2 3.58Å; F1894-L1948 HydrophobicContact CE1-CG 3.51Å; F1894-L1948 HydrophobicContact CE2-CD2 3.83Å; F1894-L1948 HydrophobicContact CG-CD2 3.73Å; F1894-L1948 HydrophobicContact CG-CG 4.45Å; F1894-L1948 HydrophobicContact CZ-CB 3.95Å; F1894-L1948 HydrophobicContact CZ-CD2 3.75Å; F1894-L1948 HydrophobicContact CZ-CG 3.97Å; W1944-L1948 HydrophobicContact CH2-CD2 3.82Å; W1944-L1948 HydrophobicContact CZ2-CD2 3.42Å; W1944-L1948 VanDerWaalsContact CZ2-CD2 3.42Å; W1944-L1948 WeakPolarHBondContact O-CB 3.21Å; W1944-L1948 PolarHBondContact O-N 3.41Å; L1948-S1952 VanDerWaalsContact O-CB 3.24Å; L1948-S1952 WeakPolarHBondContact O-CB 3.48Å; L1948-S1952 PolarHBondContact O-N 2.86Å; L1948-S1952 PolarHBondContact O-OG 2.88Å
1949	Y	75.3	Confident	63.4	Low	42 Å²	42	40.9 Å²	40.9	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-53.8	174.2	-179.2	-109	0	0	0	111.3	E1898 L1899 L1902 R1945 R1946 T1947 L1951 S1952 Q1953	E1898-Y1949 HydrophobicContact CB-CD2 3.54Å; E1898-Y1949 HydrophobicContact CB-CE2 3.98Å; E1898-Y1949 HydrophobicContact CB-CG 4.19Å; E1898-Y1949 HydrophobicContact CG-CD2 3.99Å; E1898-Y1949 HydrophobicContact CG-CG 4.4Å; L1899-Y1949 HydrophobicContact CD2-CE2 4.27Å; L1899-Y1949 VanDerWaalsContact CD2-OH 3.29Å; L1899-Y1949 WeakPolarHBondContact CD2-OH 3.29Å; L1899-Y1949 HydrophobicContact CG-CE2 4.13Å; L1902-Y1949 HydrophobicContact CD1-CE1 3.75Å; L1902-Y1949 HydrophobicContact CD1-CE2 4.23Å; L1902-Y1949 WeakPolarHBondContact CD1-OH 3.4Å; R1945-Y1949 WeakPolarHBondContact O-CB 3.41Å; R1945-Y1949 PolarHBondContact O-N 3.44Å; R1946-Y1949 PolarHBondContact O-N 2.97Å; T1947-Y1949 VanDerWaalsContact C-N 3.32Å; T1947-Y1949 PolarHBondContact O-N 3.47Å; Y1949-L1951 VanDerWaalsContact C-N 3.31Å; Y1949-L1951 PolarHBondContact O-N 3.43Å; Y1949-S1952 WeakPolarHBondContact O-CA 3.29Å; Y1949-S1952 WeakPolarHBondContact O-CB 3.49Å; Y1949-S1952 PolarHBondContact O-N 3.23Å; Y1949-S1952 PolarHBondContact O-OG 2.95Å; Y1949-Q1953 HydrophobicContact CD1-CG 4.33Å; Y1949-Q1953 HydrophobicContact CD2-CG 4.23Å; Y1949-Q1953 HydrophobicContact CE1-CG 3.95Å; Y1949-Q1953 HydrophobicContact CE2-CG 3.83Å; Y1949-Q1953 HydrophobicContact CG-CG 4.45Å; Y1949-Q1953 VanDerWaalsContact CZ-NE2 3.34Å; Y1949-Q1953 WeakPolarHBondContact O-CB 3.46Å; Y1949-Q1953 VanDerWaalsContact O-CG 3.31Å; Y1949-Q1953 WeakPolarHBondContact O-CG 3.5Å; Y1949-Q1953 PolarHBondContact O-N 3.22Å; Y1949-Q1953 PolarHBondContact OH-NE2 3.24Å
1950	L	63.1	Low	62.7	Low	38 Å²	38	40.7 Å²	40.7	20%	0.199	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-38.7	178.9	-67.5	170.6	0	0	0	112.2	R1946 T1947 Q1953 G1954 L1955 I1956 F1985	R1946-L1950 WeakPolarHBondContact O-CB 3.41Å; R1946-L1950 VanDerWaalsContact O-CG 3.23Å; R1946-L1950 WeakPolarHBondContact O-CG 3.09Å; R1946-L1950 PolarHBondContact O-N 2.93Å; T1947-L1950 PolarHBondContact O-N 2.94Å; L1950-Q1953 CarbonylContact O-C 3.32Å; L1950-Q1953 PolarHBondContact O-N 3.34Å; L1950-G1954 PolarHBondContact O-N 3.36Å; L1950-G1954 VanDerWaalsContact O-N 3.08Å; L1950-L1955 HydrophobicContact CB-CB 4.44Å; L1950-L1955 HydrophobicContact CD2-CB 4.22Å; L1950-L1955 HydrophobicContact CD2-CD1 3.63Å; L1950-L1955 PolarHBondContact O-N 3.39Å; L1950-I1956 HydrophobicContact CB-CD1 3.53Å; L1950-I1956 HydrophobicContact CB-CG1 3.88Å; L1950-I1956 HydrophobicContact CD1-CD1 4.04Å; L1950-I1956 HydrophobicContact CG-CD1 4.44Å; L1950-F1985 HydrophobicContact CD1-CB 3.63Å; L1950-F1985 HydrophobicContact CD1-CD1 4.39Å; L1950-F1985 HydrophobicContact CD1-CG 3.97Å
1951	L	69.9	Low	62.1	Low	11 Å²	11	46.3 Å²	46.3	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-44.2	170.3	-79.5	171.1	0	0	0	111.9	R1876 L1880 Y1884 T1947 Y1949 Q1953 G1954 I1956 L1958	R1876-L1951 PolarHBondContact NH1-O 3.08Å; R1876-L1951 PolarHBondContact NH2-O 2.68Å; L1880-L1951 HydrophobicContact CD1-CB 3.79Å; L1880-L1951 HydrophobicContact CD1-CD2 4.31Å; L1880-L1951 HydrophobicContact CD2-CB 4.15Å; L1880-L1951 HydrophobicContact CG-CB 4.41Å; Y1884-L1951 HydrophobicContact CE2-CD1 3.84Å; Y1884-L1951 WeakPolarHBondContact OH-CD1 3.32Å; T1947-L1951 HydrophobicContact CG2-CD1 3.83Å; T1947-L1951 HydrophobicContact CG2-CG 4.42Å; T1947-L1951 WeakPolarHBondContact O-CB 3.13Å; T1947-L1951 VanDerWaalsContact O-CG 3.24Å; T1947-L1951 WeakPolarHBondContact O-CG 3.48Å; T1947-L1951 PolarHBondContact O-N 3.42Å; Y1949-L1951 VanDerWaalsContact C-N 3.31Å; Y1949-L1951 PolarHBondContact O-N 3.43Å; L1951-Q1953 VanDerWaalsContact C-N 3.26Å; L1951-Q1953 PolarHBondContact O-N 2.99Å; L1951-G1954 PolarHBondContact O-N 3.11Å; L1951-I1956 HydrophobicContact CD2-CB 3.9Å; L1951-I1956 HydrophobicContact CD2-CG2 4.24Å; L1951-I1956 HydrophobicContact CG-CB 4.36Å; L1951-L1958 HydrophobicContact CD2-CD1 4.43Å
1952	S	77.5	Confident	60.2	Low	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-40.3	175.9	79.3	0	0	0	0	110.9	Y1828 R1876 L1948 Y1949 G1954	Y1828-S1952 WeakPolarHBondContact CE2-O 3.49Å; Y1828-S1952 WeakPolarHBondContact OH-CA 3.4Å; Y1828-S1952 WeakPolarHBondContact OH-CB 3.48Å; Y1828-S1952 PolarHBondContact OH-O 3.43Å; R1876-S1952 PolarHBondContact NH2-O 2.77Å; R1876-S1952 VanDerWaalsContact NH2-O 3.17Å; L1948-S1952 VanDerWaalsContact O-CB 3.24Å; L1948-S1952 WeakPolarHBondContact O-CB 3.48Å; L1948-S1952 PolarHBondContact O-N 2.86Å; L1948-S1952 PolarHBondContact O-OG 2.88Å; Y1949-S1952 WeakPolarHBondContact O-CA 3.29Å; Y1949-S1952 WeakPolarHBondContact O-CB 3.49Å; Y1949-S1952 PolarHBondContact O-N 3.23Å; Y1949-S1952 PolarHBondContact O-OG 2.95Å; S1952-G1954 VanDerWaalsContact C-N 3.25Å; S1952-G1954 PolarHBondContact O-N 2.61Å
1953	Q	72.5	Confident	58.6	Low	24 Å²	24	51.5 Å²	51.5	11%	0.112	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2	177.1	-62.8	-63.8	22.8	0	0	114.4	R1824 R1895 Y1949 L1950 L1951 L1955	R1824-Q1953 WeakPolarHBondContact CD-O 3.49Å; R1824-Q1953 VanDerWaalsContact CZ-O 3.25Å; R1824-Q1953 PolarHBondContact NE-O 2.86Å; R1824-Q1953 PolarHBondContact NH1-O 3.46Å; R1895-Q1953 VanDerWaalsContact NE-OE1 3.07Å; Y1949-Q1953 HydrophobicContact CD1-CG 4.33Å; Y1949-Q1953 HydrophobicContact CD2-CG 4.23Å; Y1949-Q1953 HydrophobicContact CE1-CG 3.95Å; Y1949-Q1953 HydrophobicContact CE2-CG 3.83Å; Y1949-Q1953 HydrophobicContact CG-CG 4.45Å; Y1949-Q1953 VanDerWaalsContact CZ-NE2 3.34Å; Y1949-Q1953 WeakPolarHBondContact O-CB 3.46Å; Y1949-Q1953 VanDerWaalsContact O-CG 3.31Å; Y1949-Q1953 WeakPolarHBondContact O-CG 3.5Å; Y1949-Q1953 PolarHBondContact O-N 3.22Å; Y1949-Q1953 PolarHBondContact OH-NE2 3.24Å; L1950-Q1953 CarbonylContact O-C 3.32Å; L1950-Q1953 PolarHBondContact O-N 3.34Å; L1951-Q1953 VanDerWaalsContact C-N 3.26Å; L1951-Q1953 PolarHBondContact O-N 2.99Å; Q1953-L1955 HydrophobicContact CB-CD1 3.94Å; Q1953-L1955 HydrophobicContact CB-CG 4.2Å; Q1953-L1955 PolarHBondContact O-N 3.43Å
1954	G	63.6	Low	57.3	Low	18 Å²	18	53.9 Å²	53.9	19%	0.186	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	31.6	178.9	0	0	0	0	0	113.7	L1950 L1951 S1952	L1950-G1954 PolarHBondContact O-N 3.36Å; L1950-G1954 VanDerWaalsContact O-N 3.08Å; L1951-G1954 PolarHBondContact O-N 3.11Å; S1952-G1954 VanDerWaalsContact C-N 3.25Å; S1952-G1954 PolarHBondContact O-N 2.61Å
1955	L	55.2	Low	55.2	Low	98 Å²	98	61.2 Å²	61.2	51%	0.513	37%	0.37	S	S	.	.	S	Bend	trans	-91.4	-6.3	173.1	-69.2	165.4	0	0	0	112.2	L1816 L1950 Q1953	L1816-L1955 HydrophobicContact CD1-CD2 3.68Å; L1816-L1955 HydrophobicContact CD1-CG 4.25Å; L1950-L1955 HydrophobicContact CB-CB 4.44Å; L1950-L1955 HydrophobicContact CD2-CB 4.22Å; L1950-L1955 HydrophobicContact CD2-CD1 3.63Å; L1950-L1955 PolarHBondContact O-N 3.39Å; Q1953-L1955 HydrophobicContact CB-CD1 3.94Å; Q1953-L1955 HydrophobicContact CB-CG 4.2Å; Q1953-L1955 PolarHBondContact O-N 3.43Å
1956	I	50.5	Low	52.9	Low	21 Å²	21	65 Å²	65	11%	0.108	41%	0.411	C	S	.	.	S	Bend	trans	-140.4	140	174.2	-42.3	172.2	0	0	0	106.4	L1950 L1951 P1983 F1985	L1950-I1956 HydrophobicContact CB-CD1 3.53Å; L1950-I1956 HydrophobicContact CB-CG1 3.88Å; L1950-I1956 HydrophobicContact CD1-CD1 4.04Å; L1950-I1956 HydrophobicContact CG-CD1 4.44Å; L1951-I1956 HydrophobicContact CD2-CB 3.9Å; L1951-I1956 HydrophobicContact CD2-CG2 4.24Å; L1951-I1956 HydrophobicContact CG-CB 4.36Å; I1956-P1983 HydrophobicContact CG2-CG 4.11Å; I1956-F1985 HydrophobicContact CB-CE2 4.39Å; I1956-F1985 HydrophobicContact CD1-CD2 3.39Å; I1956-F1985 HydrophobicContact CD1-CE2 3.44Å; I1956-F1985 VanDerWaalsContact CD1-CE2 3.44Å; I1956-F1985 HydrophobicContact CD1-CG 4.14Å; I1956-F1985 HydrophobicContact CD1-CZ 4.23Å; I1956-F1985 HydrophobicContact CG1-CD2 3.97Å; I1956-F1985 HydrophobicContact CG1-CE2 3.52Å; I1956-F1985 HydrophobicContact CG1-CZ 3.85Å; I1956-F1985 HydrophobicContact CG2-CE2 4Å
1957	D	48.8	Very low	51	Low	131 Å²	131	63.7 Å²	63.7	70%	0.701	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-79.1	156.6	171.3	-72.5	-56.4	0	0	0	112.2
1958	L	57.8	Low	49.1	Very low	28 Å²	28	72.6 Å²	72.6	15%	0.147	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-72.4	136.3	166	-130.6	89	0	0	0	108.5	Q1879 L1880 Y1883 L1951 A1960	Q1879-L1958 HydrophobicContact CB-CD2 4.12Å; L1880-L1958 HydrophobicContact CD1-CD1 3.35Å; L1880-L1958 HydrophobicContact CG-CD1 4.18Å; Y1883-L1958 HydrophobicContact CD2-CD2 4.17Å; Y1883-L1958 HydrophobicContact CG-CD2 4.37Å; L1951-L1958 HydrophobicContact CD2-CD1 4.43Å; L1958-A1960 PolarHBondContact O-N 2.84Å; L1958-A1960 VanDerWaalsContact O-N 3.12Å
1959	P	51.3	Low	46.7	Very low	70 Å²	70	78.6 Å²	78.6	46%	0.455	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-59.6	118.6	173.9	23.3	-33.3	0	0	0	110.6	D1961 S1962	P1959-D1961 VanDerWaalsContact C-N 3.33Å; P1959-D1961 PolarHBondContact O-N 3.28Å; P1959-S1962 PolarHBondContact O-OG 3.13Å
1960	A	39.9	Very low	44.4	Very low	89 Å²	89	82.6 Å²	82.6	74%	0.736	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-25	-160.9	0	0	0	0	0	114.9	L1958 S1962	L1958-A1960 PolarHBondContact O-N 2.84Å; L1958-A1960 VanDerWaalsContact O-N 3.12Å; A1960-S1962 PolarHBondContact O-N 3.38Å; A1960-S1962 VanDerWaalsContact O-N 3.1Å
1961	D	39.1	Very low	42.7	Very low	154 Å²	154	88.2 Å²	88.2	82%	0.824	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	15.3	-166.2	-57.3	-52.9	0	0	0	115.4	P1959	P1959-D1961 VanDerWaalsContact C-N 3.33Å; P1959-D1961 PolarHBondContact O-N 3.28Å
1962	S	31.2	Very low	40.6	Very low	71 Å²	71	92.4 Å²	92.4	50%	0.497	59%	0.59	S	S	.	*			trans	-100.7	32	-177.8	54.5	0	0	0	0	114	P1959 A1960 S1964	P1959-S1962 PolarHBondContact O-OG 3.13Å; A1960-S1962 PolarHBondContact O-N 3.38Å; A1960-S1962 VanDerWaalsContact O-N 3.1Å; S1962-S1964 VanDerWaalsContact C-N 3.26Å; S1962-S1964 PolarHBondContact O-N 3.47Å
1963	G	28.1	Very low	38.2	Very low	84 Å²	84	95.6 Å²	95.6	87%	0.866	62%	0.622	S	S	*	*			trans	-71.7	32.2	-168.5	0	0	0	0	0	118.6
1964	S	28.2	Very low	36	Very low	96 Å²	96	99.7 Å²	99.7	67%	0.671	65%	0.654	S	S	*	*	S	Bend	trans	-138.4	122.4	-179.4	63.3	0	0	0	0	114.3	S1962	S1962-S1964 VanDerWaalsContact C-N 3.26Å; S1962-S1964 PolarHBondContact O-N 3.47Å
1965	N	28.7	Very low	34.2	Very low	168 Å²	168	104.7 Å²	104.7	90%	0.898	68%	0.681	S	S	*	*			trans	26.9	109.4	158.7	-62.2	-15.6	0	0	0	118.5
1966	G	24	Very low	32.8	Very low	88 Å²	88	107.7 Å²	107.7	91%	0.907	70%	0.698	S	S	*	*			trans	-76.4	154.3	173.1	0	0	0	0	0	114.5
1967	G	24.2	Very low	31.6	Very low	68 Å²	68	111.5 Å²	111.5	70%	0.701	73%	0.732	S	S	*	*			trans	163	120.8	169.7	0	0	0	0	0	114.7
1968	Y	24.8	Very low	30.6	Very low	226 Å²	226	112 Å²	112	89%	0.886	74%	0.74	S	S	*	*			trans	48.9	111.5	152.1	-69.4	-89.9	0	0	0	122.6
1969	V	27	Very low	29	Very low	126 Å²	126	115.1 Å²	115.1	76%	0.764	77%	0.77	S	S	*	*			trans	11	145.1	132.7	-138.8	0	0	0	0	121.4
1970	V	26.5	Very low	27.8	Very low	125 Å²	125	117.6 Å²	117.6	76%	0.758	78%	0.784	S	S	*	*			trans	72.6	128.5	167.1	-161.7	0	0	0	0	112.7
1971	D	27.3	Very low	27.3	Very low	156 Å²	156	119.1 Å²	119.1	83%	0.834	77%	0.771	S	S	*	*			cis	-150.2	-178.5	44.9	-146.7	-25	0	0	0	113.8
1972	A	27.3	Very low	26.7	Very low	99 Å²	99	119.9 Å²	119.9	82%	0.818	77%	0.767	S	S	*	*			trans	-104.4	116.5	-171.1	0	0	0	0	0	115.1
1973	G	25.1	Very low	26.7	Very low	67 Å²	67	119.2 Å²	119.2	69%	0.691	76%	0.761	S	S	*	*			trans	169	136.5	165.3	0	0	0	0	0	117.6
1974	S	26.5	Very low	26.6	Very low	110 Å²	110	123 Å²	123	77%	0.769	76%	0.76	S	S	*	*			trans	57.6	96.8	157.6	59.4	0	0	0	0	121.1
1975	T	27.4	Very low	26.5	Very low	123 Å²	123	121.6 Å²	121.6	76%	0.755	74%	0.742	S	S	*	*				55.5	131.5	123.3	57.6	0	0	0	0	122.9
1976	N	25	Very low	26.5	Very low	162 Å²	162	117.4 Å²	117.4	87%	0.866	73%	0.726	S	S	*	*			trans	82.6	64.7	150	-58	-9.7	0	0	0	119.1
1977	A	24.7	Very low	26.6	Very low	101 Å²	101	117.5 Å²	117.5	84%	0.835	70%	0.701	S	S	*	*			trans	-132.8	109	151.3	0	0	0	0	0	111
1978	T	27.6	Very low	26.9	Very low	140 Å²	140	119.7 Å²	119.7	86%	0.859	70%	0.697	S	S	*	*			trans	-57.4	127.2	-176.6	44.7	0	0	0	0	116.5
1979	A	25.8	Very low	27.1	Very low	94 Å²	94	117.1 Å²	117.1	78%	0.777	69%	0.685	S	S	*	*			trans	39.4	116.4	141.3	0	0	0	0	0	122
1980	V	26.2	Very low	27.1	Very low	123 Å²	123	114 Å²	114	75%	0.745	68%	0.679	S	S	*	*				-140.6	148.9	126.4	176.4	0	0	0	0	108.4
1981	Y	27.6	Very low	27.1	Very low	120 Å²	120	115.2 Å²	115.2	47%	0.471	68%	0.681	S	S	.	*			trans	-65.6	152.9	-174.3	-96.6	-104.6	0	0	0	115.5	Q1785 V1786 Q1790	Q1785-Y1981 WeakPolarHBondContact O-CE1 3.41Å; Q1785-Y1981 PolarHBondContact O-OH 2.98Å; V1786-Y1981 HydrophobicContact CG1-CE1 4.15Å; Q1790-Y1981 VanDerWaalsContact OE1-CD1 3.22Å
1982	K	26.5	Very low	27.1	Very low	170 Å²	170	110.5 Å²	110.5	74%	0.739	65%	0.654	S	S	*	*			trans	-106.9	125.5	156.7	-70.7	170.3	-176.8	158.6	0	108.9	I1984	K1982-I1984 PolarHBondContact O-N 3.48Å
1983	P	31.9	Very low	27.1	Very low	58 Å²	58	109 Å²	109	38%	0.377	64%	0.636	S	S	.	*			trans	-76.8	117	178.7	30.1	-33.6	0	0	0	111.2	I1956 F1985	I1956-P1983 HydrophobicContact CG2-CG 4.11Å; P1983-F1985 HydrophobicContact CB-CD2 4.01Å; P1983-F1985 HydrophobicContact CB-CE2 3.72Å; P1983-F1985 HydrophobicContact CG-CD2 4.3Å; P1983-F1985 HydrophobicContact CG-CE2 3.91Å; P1983-F1985 PolarHBondContact O-N 3.13Å
1984	I	27	Very low	27.3	Very low	162 Å²	162	109.9 Å²	109.9	83%	0.831	63%	0.629	S	S	*	*			trans	-82.3	94.3	170.7	-57.9	177.1	0	0	0	107.9	K1982 S1986	K1982-I1984 PolarHBondContact O-N 3.48Å; I1984-S1986 PolarHBondContact O-N 2.86Å; I1984-S1986 VanDerWaalsContact O-N 3.14Å
1985	F	25.1	Very low	27.5	Very low	68 Å²	68	109.8 Å²	109.8	30%	0.298	62%	0.616	S	S	.	*			trans	-71.7	105.1	168.9	-79.6	-99.6	0	0	0	109.3	P1793 L1950 I1956 P1983	P1793-F1985 HydrophobicContact CB-CE1 4.24Å; P1793-F1985 HydrophobicContact CG-CE1 4.22Å; P1793-F1985 HydrophobicContact CG-CZ 4.3Å; L1950-F1985 HydrophobicContact CD1-CB 3.63Å; L1950-F1985 HydrophobicContact CD1-CD1 4.39Å; L1950-F1985 HydrophobicContact CD1-CG 3.97Å; I1956-F1985 HydrophobicContact CB-CE2 4.39Å; I1956-F1985 HydrophobicContact CD1-CD2 3.39Å; I1956-F1985 HydrophobicContact CD1-CE2 3.44Å; I1956-F1985 VanDerWaalsContact CD1-CE2 3.44Å; I1956-F1985 HydrophobicContact CD1-CG 4.14Å; I1956-F1985 HydrophobicContact CD1-CZ 4.23Å; I1956-F1985 HydrophobicContact CG1-CD2 3.97Å; I1956-F1985 HydrophobicContact CG1-CE2 3.52Å; I1956-F1985 HydrophobicContact CG1-CZ 3.85Å; I1956-F1985 HydrophobicContact CG2-CE2 4Å; P1983-F1985 HydrophobicContact CB-CD2 4.01Å; P1983-F1985 HydrophobicContact CB-CE2 3.72Å; P1983-F1985 HydrophobicContact CG-CD2 4.3Å; P1983-F1985 HydrophobicContact CG-CE2 3.91Å; P1983-F1985 PolarHBondContact O-N 3.13Å
1986	S	28.9	Very low	27.5	Very low	80 Å²	80	108.1 Å²	108.1	56%	0.559	61%	0.606	S	S	*	*			trans	-57.5	138	161.6	47.5	0	0	0	0	108.9	I1984 D1988	I1984-S1986 PolarHBondContact O-N 2.86Å; I1984-S1986 VanDerWaalsContact O-N 3.14Å; S1986-D1988 PolarHBondContact O-N 2.95Å
1987	K	25.9	Very low	27.7	Very low	90 Å²	90	107.6 Å²	107.6	39%	0.391	59%	0.593	S	S	.	*			trans	-67	120.5	165	-90.1	-165.6	173	-156.4	0	106.4	R1946	R1946-K1987 HydrophobicContact CG-CG 4.49Å
1988	D	30.1	Very low	28	Very low	113 Å²	113	109.6 Å²	109.6	60%	0.604	59%	0.59	S	S	*	*				-156.9	141.6	119.1	-138.9	17	0	0	0	113.9	S1986	S1986-D1988 PolarHBondContact O-N 2.95Å
1989	R	30.1	Very low	28	Very low	173 Å²	173	112.9 Å²	112.9	65%	0.653	60%	0.595	S	S	*	*			trans	61.3	69.5	161.3	-61.2	167.8	-157.4	-127.4	-1.3	118.3
1990	G	25.7	Very low	28.3	Very low	60 Å²	60	113 Å²	113	62%	0.619	59%	0.591	S	S	*	*	S	Bend	trans	-124.8	118.3	134.2	0	0	0	0	0	108.9	Q1992	G1990-Q1992 PolarHBondContact O-N 3.34Å
1991	D	26.6	Very low	28.4	Very low	151 Å²	151	114.9 Å²	114.9	81%	0.807	59%	0.589	S	S	*	*	S	Bend	trans	52.8	45.8	166.9	-50.4	-22.3	0	0	0	118.8	N1906	N1906-D1991 PolarHBondContact ND2-O 3.05Å
1992	Q	28.6	Very low	28.5	Very low	57 Å²	57	114.2 Å²	114.2	27%	0.266	60%	0.597	S	S	.	*			trans	-132	127.5	164.9	-64.9	-146.8	-99	0	0	112.8	L1902 N1906 G1990	L1902-Q1992 VanDerWaalsContact CD2-CD 3.41Å; L1902-Q1992 HydrophobicContact CD2-CG 4.2Å; L1902-Q1992 VanDerWaalsContact CD2-OE1 3.24Å; L1902-Q1992 PolarHBondContact O-NE2 2.83Å; N1906-Q1992 WeakPolarHBondContact OD1-CA 3.13Å; N1906-Q1992 WeakPolarHBondContact OD1-CB 3.5Å; N1906-Q1992 WeakPolarHBondContact OD1-CG 3.34Å; N1906-Q1992 PolarHBondContact OD1-NE2 3.22Å; G1990-Q1992 PolarHBondContact O-N 3.34Å
1993	P	27.2	Very low	28.6	Very low	67 Å²	67	112.3 Å²	112.3	44%	0.435	59%	0.591	S	S	.	*			trans	-67.7	179.9	166.5	-20.6	36	0	0	0	114	N1906	N1906-P1993 HydrophobicContact CB-CG 4.01Å; N1906-P1993 WeakPolarHBondContact ND2-CD 3.4Å; N1906-P1993 VanDerWaalsContact OD1-CD 3.26Å; N1906-P1993 WeakPolarHBondContact OD1-CD 3.41Å
1994	P	28.8	Very low	28.7	Very low	86 Å²	86	112.6 Å²	112.6	56%	0.558	61%	0.605	S	S	*	*			trans	-78.3	142.2	-158.7	31.3	-35.7	0	0	0	114.8	T1996	P1994-T1996 PolarHBondContact O-N 2.89Å
1995	H	30	Very low	28.9	Very low	107 Å²	107	111 Å²	111	50%	0.495	60%	0.597	S	S	.	*			trans	-78.9	104.2	161.3	-79	-69.2	0	0	0	110	I1905 Y1997	I1905-H1995 VanDerWaalsContact CG2-CE1 3.41Å; I1905-H1995 WeakPolarHBondContact CG2-CE1 3.36Å; H1995-Y1997 HydrophobicContact CB-CD2 4.22Å; H1995-Y1997 HydrophobicContact CB-CE2 4.01Å; H1995-Y1997 AromaticContact ND1-CE2 3.82Å
1996	T	28.1	Very low	28.9	Very low	89 Å²	89	114.8 Å²	114.8	55%	0.546	62%	0.616	S	S	.	*			trans	-81.2	123	151.1	42.8	0	0	0	0	109.2	Q1909 P1994	Q1909-T1996 PolarHBondContact NE2-OG1 2.8Å; P1994-T1996 PolarHBondContact O-N 2.89Å
1997	Y	29.8	Very low	28.8	Very low	151 Å²	151	116.3 Å²	116.3	59%	0.592	62%	0.624	S	S	*	*			trans	-113.3	160.1	153.9	-70.2	-78	0	0	0	108	H1995	H1995-Y1997 HydrophobicContact CB-CD2 4.22Å; H1995-Y1997 HydrophobicContact CB-CE2 4.01Å; H1995-Y1997 AromaticContact ND1-CE2 3.82Å
1998	D	30.9	Very low	28.8	Very low	142 Å²	142	113.9 Å²	113.9	76%	0.759	63%	0.625	S	S	*	*			trans	-65.2	140.9	-164.4	-58.7	-80.6	0	0	0	114.7	S2000	D1998-S2000 VanDerWaalsContact C-N 3.3Å; D1998-S2000 PolarHBondContact O-N 2.86Å
1999	E	27.9	Very low	28.6	Very low	209 Å²	209	112 Å²	112	98%	0.977	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	74	-179.2	-62.3	-176.8	139.9	0	0	112.8
2000	S	31.8	Very low	28.4	Very low	97 Å²	97	109.6 Å²	109.6	68%	0.678	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.7	-8.5	174	57.4	0	0	0	0	116.7	D1998	D1998-S2000 VanDerWaalsContact C-N 3.3Å; D1998-S2000 PolarHBondContact O-N 2.86Å
2001	F	27.2	Very low	28.4	Very low	163 Å²	163	106.9 Å²	106.9	72%	0.715	58%	0.582	S	S	*	*	S	Bend	trans	-88.3	150.4	174.4	-85.5	-99.5	0	0	0	112.3
2002	V	30.5	Very low	28.4	Very low	106 Å²	106	101.3 Å²	101.3	64%	0.642	55%	0.552	S	S	*	*			trans	-76.4	125.9	170.6	-179.9	0	0	0	0	107.7	G2004 D2005	V2002-G2004 PolarHBondContact O-N 3.22Å; V2002-D2005 PolarHBondContact O-N 3.48Å
2003	E	28.7	Very low	28.3	Very low	130 Å²	130	99 Å²	99	61%	0.607	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	1.2	-176.6	-69.3	175.5	115	0	0	114.6	T290	T290-E2003 WeakPolarHBondContact CB-OE2 3.29Å; T290-E2003 WeakPolarHBondContact CG2-OE1 3.32Å; T290-E2003 WeakPolarHBondContact CG2-OE2 3.46Å; T290-E2003 PolarHBondContact OG1-OE2 3.01Å
2004	G	34.5	Very low	28.2	Very low	64 Å²	64	96.1 Å²	96.1	66%	0.66	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	2.5	167.1	0	0	0	0	0	115.4	V2002	V2002-G2004 PolarHBondContact O-N 3.22Å
2005	D	30.5	Very low	28.1	Very low	127 Å²	127	98.3 Å²	98.3	68%	0.679	52%	0.52	S	S	*	.			trans	-141.3	27.2	-174	-107.7	-38.4	0	0	0	113.2	V2002	V2002-D2005 PolarHBondContact O-N 3.48Å
2006	E	24.5	Very low	27.8	Very low	149 Å²	149	97.4 Å²	97.4	70%	0.696	52%	0.524	S	S	*	.	S	Bend	trans	-66.1	130.7	154.5	-129.4	-145.7	146.3	0	0	107.4	G2008	E2006-G2008 PolarHBondContact O-N 3.06Å
2007	P	27	Very low	27.8	Very low	112 Å²	112	104.7 Å²	104.7	73%	0.727	54%	0.541	S	S	*	.			trans	-72.1	111.5	-162.8	28.1	-34.7	0	0	0	110.8
2008	G	25.5	Very low	27.7	Very low	39 Å²	39	103.1 Å²	103.1	40%	0.402	55%	0.55	S	S	.	.			trans	-78.2	-169.9	177	0	0	0	0	0	113.4	E2006	E2006-G2008 PolarHBondContact O-N 3.06Å
2009	L	26.1	Very low	27.6	Very low	73 Å²	73	101.4 Å²	101.4	38%	0.382	55%	0.546	S	S	.	.	S	Bend	trans	-128.7	77.9	146.7	-71.9	178.5	0	0	0	106.8	Y119 Q1939	Y119-L2009 HydrophobicContact CD1-CD1 4.36Å; Y119-L2009 HydrophobicContact CD2-CD1 3.8Å; Y119-L2009 HydrophobicContact CD2-CD2 4.34Å; Y119-L2009 HydrophobicContact CE1-CD1 4.14Å; Y119-L2009 HydrophobicContact CE2-CD1 3.58Å; Y119-L2009 HydrophobicContact CE2-CD2 3.5Å; Y119-L2009 VanDerWaalsContact CE2-CD2 3.5Å; Y119-L2009 HydrophobicContact CE2-CG 4.18Å; Y119-L2009 HydrophobicContact CG-CD1 4.18Å; Q1939-L2009 VanDerWaalsContact OE1-CD1 3.26Å
2010	E	27.5	Very low	27.7	Very low	122 Å²	122	98.6 Å²	98.6	57%	0.57	54%	0.538	S	S	*	.			cis	33.7	49.7	10.3	-51.5	-73.4	166.9	0	0	117.8	Q71	Q71-E2010 HydrophobicContact CG-CG 4.43Å; Q71-E2010 PolarHBondContact NE2-OE1 3.02Å; Q71-E2010 VanDerWaalsContact NE2-OE1 3.1Å; Q71-E2010 PolarHBondContact NE2-OE2 2.66Å
2011	G	25.7	Very low	27.5	Very low	3 Å²	3	99.9 Å²	99.9	3%	0.031	54%	0.544	C	S	.	.				-101.3	176.5	95.8	0	0	0	0	0	107.8	S70 Q71	S70-G2011 CarbonylContact C-O 3.53Å; S70-G2011 VanDerWaalsContact CA-C 3.41Å; S70-G2011 WeakPolarHBondContact CA-O 3.17Å; S70-G2011 WeakPolarHBondContact CB-O 3.4Å; S70-G2011 VanDerWaalsContact N-C 3.3Å; Q71-G2011 WeakPolarHBondContact CG-O 3.23Å; Q71-G2011 VanDerWaalsContact N-C 3.33Å; Q71-G2011 PolarHBondContact N-O 2.89Å
2012	E	25.1	Very low	27.6	Very low	35 Å²	35	96.2 Å²	96.2	16%	0.164	54%	0.544	C	S	.	.			trans	-126.2	83.4	-158.2	-24.4	86.1	80.3	0	0	121.1	V68 L69 S70 Q71 G72 S73 A2014	V68-E2012 VanDerWaalsContact CA-OE2 3.28Å; V68-E2012 WeakPolarHBondContact CA-OE2 3.47Å; V68-E2012 PolarHBondContact N-OE2 3Å; L69-E2012 VanDerWaalsContact C-C 3.46Å; L69-E2012 VanDerWaalsContact CA-O 3.24Å; L69-E2012 WeakPolarHBondContact CA-O 3.04Å; S70-E2012 VanDerWaalsContact N-CA 3.31Å; Q71-E2012 VanDerWaalsContact C-C 3.49Å; Q71-E2012 HydrophobicContact CG-CB 4Å; Q71-E2012 HydrophobicContact CG-CG 4.3Å; G72-E2012 CarbonylContact C-O 3.35Å; G72-E2012 VanDerWaalsContact N-CA 3.34Å; S73-E2012 CarbonylContact C-O 3.58Å; S73-E2012 WeakPolarHBondContact CA-O 3.44Å; S73-E2012 VanDerWaalsContact CB-CB 3.42Å; S73-E2012 WeakPolarHBondContact CB-OE1 3.26Å; S73-E2012 VanDerWaalsContact N-C 3.29Å; S73-E2012 PolarHBondContact N-O 3.08Å; E2012-A2014 PolarHBondContact O-N 2.95Å
2013	T	26.4	Very low	27.8	Very low	7 Å²	7	96.6 Å²	96.6	4%	0.043	55%	0.548	C	S	.	.			trans	-71.4	108.3	-169.7	-37.5	0	0	0	0	118	L69 S70 Q71 G72 V109 R113 R2015	L69-T2013 HydrophobicContact CB-CG2 4.11Å; L69-T2013 WeakPolarHBondContact O-CB 3.44Å; L69-T2013 PolarHBondContact O-OG1 2.97Å; S70-T2013 VanDerWaalsContact CA-N 3.29Å; S70-T2013 WeakPolarHBondContact CA-OG1 3.33Å; S70-T2013 PolarHBondContact N-OG1 3.14Å; S70-T2013 PolarHBondContact O-OG1 3.15Å; Q71-T2013 PolarHBondContact O-N 3.36Å; G72-T2013 VanDerWaalsContact CA-C 3.49Å; G72-T2013 VanDerWaalsContact CA-O 3.31Å; G72-T2013 WeakPolarHBondContact CA-O 3.5Å; V109-T2013 HydrophobicContact CB-CG2 4.45Å; V109-T2013 HydrophobicContact CG1-CG2 4.11Å; V109-T2013 WeakPolarHBondContact CG1-OG1 3.17Å; R113-T2013 VanDerWaalsContact CZ-CB 3.49Å; R113-T2013 PolarHBondContact NE-OG1 2.91Å; R113-T2013 VanDerWaalsContact NH2-CB 3.28Å; R113-T2013 PolarHBondContact NH2-OG1 3.19Å; R113-T2013 VanDerWaalsContact NH2-OG1 3.13Å; T2013-R2015 PolarHBondContact O-N 3.45Å
2014	A	26.5	Very low	27.7	Very low	7 Å²	7	97.2 Å²	97.2	6%	0.058	55%	0.554	C	S	.	*			trans	-52.8	93.1	140.4	0	0	0	0	0	116.3	L69 S73 T74 E2012	L69-A2014 HydrophobicContact CB-CB 4.44Å; L69-A2014 HydrophobicContact CD2-CB 3.9Å; S73-A2014 VanDerWaalsContact O-CB 3.31Å; S73-A2014 WeakPolarHBondContact O-CB 3.4Å; S73-A2014 PolarHBondContact O-N 3.07Å; T74-A2014 HydrophobicContact CG2-CB 3.38Å; E2012-A2014 PolarHBondContact O-N 2.95Å
2015	R	25.5	Very low	27.4	Very low	133 Å²	133	100.5 Å²	100.5	50%	0.502	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-97.8	134.8	138.5	-108.5	-174.4	162.5	170.5	-6.2	108.1	Q110 E114 T2013	Q110-R2015 VanDerWaalsContact NE2-NH2 3.11Å; E114-R2015 IonicContact OE1-CZ 3.88Å; E114-R2015 IonicContact OE1-NH1 2.71Å; E114-R2015 PolarHBondContact OE1-NH1 3.36Å; E114-R2015 IonicContact OE1-NH2 2.78Å; E114-R2015 PolarHBondContact OE1-NH2 3.28Å; T2013-R2015 PolarHBondContact O-N 3.45Å
2016	P	25.3	Very low	27.3	Very low	87 Å²	87	99.3 Å²	99.3	57%	0.565	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-95.4	154.2	-143.8	-5.1	25.4	0	0	0	113.5	P2018	P2016-P2018 VanDerWaalsContact O-CD 3.28Å; P2016-P2018 WeakPolarHBondContact O-CD 3.43Å
2017	R	27.5	Very low	27.4	Very low	242 Å²	242	98.4 Å²	98.4	91%	0.913	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-59.5	125.3	159.5	-86.8	-178	169.3	175.9	-3.5	110.9
2018	P	27.9	Very low	27.6	Very low	119 Å²	119	99.3 Å²	99.3	77%	0.773	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-68.2	158	147.5	-11.9	30.5	0	0	0	109.8	P2016	P2016-P2018 VanDerWaalsContact O-CD 3.28Å; P2016-P2018 WeakPolarHBondContact O-CD 3.43Å
2019	P	27.8	Very low	27.8	Very low	105 Å²	105	106.7 Å²	106.7	68%	0.682	60%	0.595	S	S	*	*			trans	-120.3	159.3	-140.1	39.7	-30.8	0	0	0	117
2020	N	29.5	Very low	28.4	Very low	151 Å²	151	108.5 Å²	108.5	81%	0.807	61%	0.611	S	S	*	*			trans	69.9	166.4	148.6	-79.5	-20.8	0	0	0	118.6
2021	P	29.1	Very low	28.6	Very low	124 Å²	124	108 Å²	108	81%	0.805	62%	0.618	S	S	*	*			cis	-116	167.7	2.3	15.1	9.1	0	0	0	116.7
2022	A	29.7	Very low	28.8	Very low	86 Å²	86	115.6 Å²	115.6	71%	0.711	66%	0.657	S	S	*	*			trans	-83.8	-149	171.3	0	0	0	0	0	110.1
2023	P	32.8	Very low	29	Very low	114 Å²	114	118.9 Å²	118.9	74%	0.74	68%	0.681	S	S	*	*			cis	-127.7	-172.1	4.5	24.1	4.6	0	0	0	113
2024	I	28.5	Very low	29	Very low	143 Å²	143	129.1 Å²	129.1	73%	0.733	72%	0.721	S	S	*	*				-179.9	135.3	70.3	-91.3	-176.4	0	0	0	110.8
2025	V	27.6	Very low	29.1	Very low	132 Å²	132	133.1 Å²	133.1	80%	0.8	75%	0.748	S	S	*	*			trans	57.4	138.7	149.2	165.8	0	0	0	0	120
2026	S	28.6	Very low	29.4	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	77%	0.771	S	S	*	*			cis	-161.9	158.9	-12.7	-99	0	0	0	0	112
2027	T	26.9	Very low	29.6	Very low	129 Å²	129	138.6 Å²	138.6	79%	0.791	78%	0.781	S	S	*	*			trans	-86.2	166.1	167.8	57.1	0	0	0	0	111.8
2028	P	31.3	Very low	29.5	Very low	131 Å²	131	130.6 Å²	130.6	85%	0.851	77%	0.774	S	S	*	*				-141.6	150.4	98.9	35.6	-20.8	0	0	0	116.9
2029	K	29	Very low	29.5	Very low	194 Å²	194	130.7 Å²	130.7	84%	0.843	78%	0.775	S	S	*	*			trans	-91.3	-176.3	171.5	-110	-178.9	177.6	-179.7	0	111
2030	P	38.1	Very low	29.6	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	78%	0.782	S	S	*	*			cis	-114.3	-104.9	-18.8	26.8	-3	0	0	0	109
2031	P	32	Very low	29.7	Very low	111 Å²	111	128.1 Å²	128.1	72%	0.721	78%	0.784	S	S	*	*			cis	-109.7	167.7	-6.4	40	-27.4	0	0	0	115.6
2032	L	30.1	Very low	29.7	Very low	164 Å²	164	125.2 Å²	125.2	86%	0.859	78%	0.776	S	S	*	*			trans	-121.4	159	152.1	-70.9	160.6	0	0	0	105.7
2033	P	29	Very low	29.4	Very low	103 Å²	103	129.4 Å²	129.4	67%	0.669	78%	0.779	S	S	*	*				-163.3	146.9	98.7	39.9	-19.2	0	0	0	119.1
2034	Y	26.8	Very low	29.1	Very low	222 Å²	222	130.2 Å²	130.2	87%	0.871	77%	0.773	S	S	*	*			trans	67.3	165.1	131.1	-73.3	-142.4	0	0	0	119.1
2035	S	28	Very low	29	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	78%	0.78	S	S	*	*			cis	-169.1	125.6	-29.7	-91	0	0	0	0	110.3
2036	R	31.6	Very low	28.8	Very low	260 Å²	260	136.1 Å²	136.1	98%	0.981	77%	0.773	S	S	*	*			trans	171	144.2	155.7	-100.8	166.5	-178.5	-163.7	0	108.5
2037	G	29.7	Very low	28.7	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	78%	0.782	S	S	*	*			cis	-174.6	19.9	-1.5	0	0	0	0	0	116.1
2038	G	25.9	Very low	28.8	Very low	73 Å²	73	142.5 Å²	142.5	75%	0.753	77%	0.772	S	S	*	*			trans	61.7	-176.8	178.1	0	0	0	0	0	116
2039	P	27.8	Very low	28.4	Very low	122 Å²	122	142.9 Å²	142.9	79%	0.792	77%	0.767	S	S	*	*			cis	-95.5	-155.2	-29	37.7	-25.9	0	0	0	110.1
2040	S	30.2	Very low	28.3	Very low	119 Å²	119	142.9 Å²	142.9	83%	0.832	76%	0.763	S	S	*	*			trans	77.1	152.4	163.7	-45	0	0	0	0	118.3
2041	G	31.7	Very low	27.5	Very low	82 Å²	82	142.3 Å²	142.3	85%	0.845	76%	0.758	S	S	*	*			trans	92.3	93.6	168.7	0	0	0	0	0	114.9
2042	G	28.5	Very low	27	Very low	63 Å²	63	145.1 Å²	145.1	65%	0.649	76%	0.759	S	S	*	*			cis	113.7	53.5	2.7	0	0	0	0	0	114.6
2043	F	24.4	Very low	26.7	Very low	174 Å²	174	143.2 Å²	143.2	76%	0.763	75%	0.75	S	S	*	*			trans	-133.3	114.6	147.6	-66.6	-81.4	0	0	0	104.6
2044	E	26.1	Very low	26.4	Very low	132 Å²	132	144.1 Å²	144.1	62%	0.617	75%	0.753	S	S	*	*			cis	57.6	57.2	10.4	-152.2	-171.5	-71.5	0	0	114.3	R2046	E2044-R2046 VanDerWaalsContact C-N 3.32Å; E2044-R2046 HydrophobicContact CG-CG 3.69Å; E2044-R2046 PolarHBondContact O-N 3.34Å; E2044-R2046 WeakPolarHBondContact OE2-CG 3.37Å; E2044-R2046 IonicContact OE2-CZ 2.65Å; E2044-R2046 IonicContact OE2-NE 3.51Å; E2044-R2046 PolarHBondContact OE2-NE 2.72Å; E2044-R2046 IonicContact OE2-NH2 3.85Å
2045	Y	25.7	Very low	26.3	Very low	227 Å²	227	137.3 Å²	137.3	89%	0.89	74%	0.736	S	S	*	*			trans	-75	101.2	133.9	-96	-78.2	0	0	0	107.3	R2047	Y2045-R2047 PolarHBondContact O-N 2.61Å
2046	R	23.8	Very low	26.2	Very low	172 Å²	172	139.8 Å²	139.8	65%	0.649	75%	0.747	S	S	*	*			trans	-50.2	127.1	178.3	-62.9	177.1	179	172.9	-4.2	110.3	E2044 Q2048	E2044-R2046 VanDerWaalsContact C-N 3.32Å; E2044-R2046 HydrophobicContact CG-CG 3.69Å; E2044-R2046 PolarHBondContact O-N 3.34Å; E2044-R2046 WeakPolarHBondContact OE2-CG 3.37Å; E2044-R2046 IonicContact OE2-CZ 2.65Å; E2044-R2046 IonicContact OE2-NE 3.51Å; E2044-R2046 PolarHBondContact OE2-NE 2.72Å; E2044-R2046 IonicContact OE2-NH2 3.85Å; R2046-Q2048 VanDerWaalsContact C-N 3.32Å; R2046-Q2048 HydrophobicContact CB-CG 4.16Å; R2046-Q2048 PolarHBondContact O-N 3.01Å
2047	R	26	Very low	26	Very low	240 Å²	240	130.8 Å²	130.8	91%	0.906	74%	0.735	S	S	*	*				-61	112.9	128.4	-142.7	-175.4	-160.9	-153.7	3.4	103.2	Y2045 D2049	Y2045-R2047 PolarHBondContact O-N 2.61Å; R2047-D2049 PolarHBondContact O-N 2.8Å
2048	Q	28.7	Very low	25.9	Very low	126 Å²	126	132.3 Å²	132.3	59%	0.589	73%	0.734	S	S	*	*			trans	-63.3	107.4	179.2	-81.1	179.1	-62.4	0	0	107	R2046 Y2050	R2046-Q2048 VanDerWaalsContact C-N 3.32Å; R2046-Q2048 HydrophobicContact CB-CG 4.16Å; R2046-Q2048 PolarHBondContact O-N 3.01Å; Q2048-Y2050 HydrophobicContact CB-CD2 4.01Å; Q2048-Y2050 HydrophobicContact CB-CE2 4.24Å; Q2048-Y2050 PolarHBondContact O-N 2.87Å
2049	D	23.8	Very low	26	Very low	139 Å²	139	133 Å²	133	74%	0.743	73%	0.732	S	S	*	*			trans	-59.5	85.1	150.3	-68.7	-32.7	0	0	0	106	R2047 T2051	R2047-D2049 PolarHBondContact O-N 2.8Å; D2049-T2051 HydrophobicContact CB-CG2 4.28Å; D2049-T2051 PolarHBondContact O-N 3.5Å
2050	Y	26.1	Very low	25.9	Very low	194 Å²	194	132.7 Å²	132.7	76%	0.761	73%	0.733	S	S	*	*			trans	-62.9	83	147.6	-90.4	-78.5	0	0	0	105.9	Q2048 F2052	Q2048-Y2050 HydrophobicContact CB-CD2 4.01Å; Q2048-Y2050 HydrophobicContact CB-CE2 4.24Å; Q2048-Y2050 PolarHBondContact O-N 2.87Å; Y2050-F2052 PolarHBondContact O-N 3.45Å
2051	T	22.4	Very low	25.7	Very low	98 Å²	98	131 Å²	131	60%	0.601	73%	0.726	S	S	*	*			trans	-57.8	89.1	162.4	45.8	0	0	0	0	107.8	D2049 N2053	D2049-T2051 HydrophobicContact CB-CG2 4.28Å; D2049-T2051 PolarHBondContact O-N 3.5Å; T2051-N2053 PolarHBondContact O-N 3.46Å; T2051-N2053 VanDerWaalsContact O-N 3.13Å
2052	F	21.2	Very low	25.5	Very low	171 Å²	171	132.7 Å²	132.7	75%	0.75	73%	0.725	S	S	*	*			trans	-68.7	92.7	132.9	-107.3	-82.1	0	0	0	106.8	Y2050 V2054	Y2050-F2052 PolarHBondContact O-N 3.45Å; F2052-V2054 PolarHBondContact O-N 2.87Å
2053	N	24	Very low	25.5	Very low	124 Å²	124	133.8 Å²	133.8	66%	0.663	73%	0.728	S	S	*	*			trans	-48.7	129.7	158.4	-70	-55.4	0	0	0	106.9	T2051 P2055	T2051-N2053 PolarHBondContact O-N 3.46Å; T2051-N2053 VanDerWaalsContact O-N 3.13Å; N2053-P2055 WeakPolarHBondContact O-CD 3.4Å; N2053-P2055 VanDerWaalsContact O-N 3.15Å
2054	V	22.2	Very low	25.7	Very low	122 Å²	122	131 Å²	131	74%	0.739	73%	0.73	S	S	*	*			trans	-61.7	113.9	166.4	174.4	0	0	0	0	107.3	F2052 V2056	F2052-V2054 PolarHBondContact O-N 2.87Å; V2054-V2056 PolarHBondContact O-N 3.23Å
2055	P	24.8	Very low	26	Very low	78 Å²	78	128 Å²	128	51%	0.506	74%	0.735	S	S	.	*			trans	-68.4	122.2	162.8	-8	27.6	0	0	0	105.4	N2053 G2057	N2053-P2055 WeakPolarHBondContact O-CD 3.4Å; N2053-P2055 VanDerWaalsContact O-N 3.15Å; P2055-G2057 VanDerWaalsContact C-N 3.34Å; P2055-G2057 PolarHBondContact O-N 3.4Å
2056	V	25.2	Very low	26	Very low	143 Å²	143	119.6 Å²	119.6	87%	0.867	72%	0.717	S	S	*	*			trans	-67.8	92.3	-176	176.7	0	0	0	0	109.5	V2054	V2054-V2056 PolarHBondContact O-N 3.23Å
2057	G	27.4	Very low	26.3	Very low	71 Å²	71	115 Å²	115	73%	0.732	71%	0.71	S	S	*	*			trans	-104.2	67.7	-178.5	0	0	0	0	0	112.5	P2055 A2059	P2055-G2057 VanDerWaalsContact C-N 3.34Å; P2055-G2057 PolarHBondContact O-N 3.4Å; G2057-A2059 PolarHBondContact O-N 3.3Å
2058	S	28.2	Very low	26.6	Very low	109 Å²	109	107.5 Å²	107.5	76%	0.762	69%	0.69	S	S	*	*			trans	-23.3	119	169.2	51.2	0	0	0	0	114.7
2059	A	27.5	Very low	26.6	Very low	87 Å²	87	104.5 Å²	104.5	72%	0.719	69%	0.693	S	S	*	*				-148.8	147.2	75.1	0	0	0	0	0	110.4	G2057	G2057-A2059 PolarHBondContact O-N 3.3Å
2060	S	25.7	Very low	26.8	Very low	116 Å²	116	102 Å²	102	81%	0.811	69%	0.687	S	S	*	*				54.2	123.2	64.1	-58	0	0	0	0	112.8
2061	A	27.4	Very low	26.6	Very low	82 Å²	82	98.2 Å²	98.2	68%	0.678	69%	0.688	S	S	*	*			cis	-167.3	178.5	1.5	0	0	0	0	0	112.1
2062	S	26.3	Very low	26.8	Very low	119 Å²	119	97.4 Å²	97.4	83%	0.832	69%	0.692	S	S	*	*			trans	75.9	169.7	146.2	-59.9	0	0	0	0	119.3
2063	A	28.6	Very low	27	Very low	86 Å²	86	94.9 Å²	94.9	71%	0.711	70%	0.695	S	S	*	*			trans	59.8	87.7	164.6	0	0	0	0	0	116.3
2064	S	27.9	Very low	27	Very low	115 Å²	115	93.4 Å²	93.4	80%	0.804	70%	0.7	S	S	*	*				68.3	129.1	62.2	86.6	0	0	0	0	114.9
2065	G	32.4	Very low	27.1	Very low	70 Å²	70	93.2 Å²	93.2	72%	0.722	70%	0.704	S	S	*	*			trans	82.9	130.6	168.7	0	0	0	0	0	113.5
2066	G	25.5	Very low	27.1	Very low	49 Å²	49	94 Å²	94	51%	0.505	72%	0.717	S	S	.	*			cis	163.8	-172.7	2.2	0	0	0	0	0	112.8
2067	P	31.3	Very low	27.1	Very low	77 Å²	77	92.2 Å²	92.2	50%	0.5	71%	0.711	S	S	.	*			trans	-58.7	154.4	-178.4	0.6	1.1	0	0	0	107.7	G37 G38	G37-P2067 CarbonylContact C-O 3.47Å; G37-P2067 VanDerWaalsContact CA-O 3.29Å; G37-P2067 WeakPolarHBondContact CA-O 3.17Å; G37-P2067 PolarHBondContact N-O 3.36Å; G37-P2067 WeakPolarHBondContact O-CB 3.24Å; G37-P2067 WeakPolarHBondContact O-CG 3.33Å; G38-P2067 PolarHBondContact N-O 3.46Å; G38-P2067 WeakPolarHBondContact O-CD 3.28Å; G38-P2067 WeakPolarHBondContact O-CG 3.28Å
2068	T	31.5	Very low	27	Very low	82 Å²	82	97 Å²	97	50%	0.503	72%	0.719	S	S	.	*				-176	165.2	60.4	35.3	0	0	0	0	108.2	G36	G36-T2068 WeakPolarHBondContact CA-OG1 3.33Å; G36-T2068 PolarHBondContact N-OG1 2.73Å
2069	G	29	Very low	27	Very low	63 Å²	63	95.6 Å²	95.6	65%	0.649	72%	0.722	S	S	*	*			cis	105.5	145.2	18.4	0	0	0	0	0	112.3
2070	S	27.3	Very low	27	Very low	86 Å²	86	100.8 Å²	100.8	60%	0.601	73%	0.728	S	S	*	*			trans	70.6	81.2	170.7	-61.7	0	0	0	0	120.2
2071	S	23.6	Very low	26.9	Very low	114 Å²	114	105.8 Å²	105.8	80%	0.797	73%	0.73	S	S	*	*				39.3	108.4	107.7	-49.2	0	0	0	0	121.6
2072	A	25.9	Very low	26.8	Very low	81 Å²	81	107.7 Å²	107.7	67%	0.669	73%	0.728	S	S	*	*			trans	-161.2	135.3	143.1	0	0	0	0	0	107.5
2073	S	24.4	Very low	26.9	Very low	118 Å²	118	113.5 Å²	113.5	83%	0.825	73%	0.732	S	S	*	*				74.9	141.2	51.5	-65.9	0	0	0	0	114.6
2074	A	25.7	Very low	26.7	Very low	93 Å²	93	113.6 Å²	113.6	77%	0.769	73%	0.733	S	S	*	*			trans	68.3	126.9	-160.4	0	0	0	0	0	113.2
2075	S	23.8	Very low	26.9	Very low	118 Å²	118	114.1 Å²	114.1	83%	0.825	74%	0.737	S	S	*	*			cis	93.8	115.9	32.2	-63.8	0	0	0	0	114.3
2076	A	24.5	Very low	26.6	Very low	95 Å²	95	113.8 Å²	113.8	79%	0.785	73%	0.733	S	S	*	*			trans	72.7	144.1	149.6	0	0	0	0	0	121
2077	S	24.6	Very low	27	Very low	105 Å²	105	119.4 Å²	119.4	73%	0.734	75%	0.751	S	S	*	*			trans	84.6	124.3	154	75.8	0	0	0	0	120.6
2078	L	26.7	Very low	26.8	Very low	173 Å²	173	123.9 Å²	123.9	91%	0.906	77%	0.765	S	S	*	*			trans	33.1	113.5	138.1	-70.4	79.1	0	0	0	119
2079	G	28.1	Very low	26.9	Very low	79 Å²	79	125.3 Å²	125.3	81%	0.814	78%	0.776	S	S	*	*			trans	-158.9	73	172.6	0	0	0	0	0	115.8
2080	K	27.3	Very low	26.8	Very low	196 Å²	196	128.4 Å²	128.4	85%	0.852	78%	0.777	S	S	*	*			trans	-5.6	124	153.3	-67.3	169.3	-176.3	177.9	0	116.5
2081	W	23.2	Very low	27.1	Very low	221 Å²	221	132 Å²	132	84%	0.837	78%	0.784	S	S	*	*				64	107.4	87.5	-90.7	49.4	0	0	0	116.1
2082	N	24.6	Very low	27.4	Very low	122 Å²	122	134.2 Å²	134.2	65%	0.652	78%	0.782	S	S	*	*			trans	72.8	155.3	138.8	-58	-4	0	0	0	121.6
2083	R	28.2	Very low	27.6	Very low	240 Å²	240	137.6 Å²	137.6	91%	0.906	78%	0.784	S	S	*	*			trans	82.8	116	169.4	-52.5	-177.8	-176.7	-175.4	-0.3	114
2084	A	25.7	Very low	27.9	Very low	88 Å²	88	137.7 Å²	137.7	73%	0.727	78%	0.78	S	S	*	*			cis	100	165.1	39.6	0	0	0	0	0	112.4
2085	S	31	Very low	28.2	Very low	127 Å²	127	139.6 Å²	139.6	89%	0.888	78%	0.777	S	S	*	*			trans	76.8	136.7	-162.7	-28.4	0	0	0	0	112.9
2086	G	27.7	Very low	28.6	Very low	62 Å²	62	141.8 Å²	141.8	64%	0.639	78%	0.778	S	S	*	*			cis	162.1	169.3	-6.4	0	0	0	0	0	113.4
2087	D	33.7	Very low	29	Very low	168 Å²	168	140.9 Å²	140.9	90%	0.898	78%	0.778	S	S	*	*			trans	82.9	122.7	157.2	-51.2	-14.1	0	0	0	120.2
2088	E	27.1	Very low	29.6	Very low	170 Å²	170	145.4 Å²	145.4	79%	0.794	79%	0.788	S	S	*	*			trans	-69	-174.8	169.8	-65.6	-177	120.8	0	0	111.8
2089	P	33	Very low	29.7	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	78%	0.781	S	S	*	*			cis	-152.2	168.7	22.6	43.7	-21.1	0	0	0	122.6
2090	L	27.2	Very low	29.8	Very low	128 Å²	128	145.8 Å²	145.8	67%	0.67	76%	0.764	S	S	*	*			trans	-10.1	141.9	149.7	-57.5	113.8	0	0	0	120.1
2091	Q	32.3	Very low	30	Very low	161 Å²	161	141.8 Å²	141.8	75%	0.752	75%	0.748	S	S	*	*				163.3	142.7	96.9	-114.5	153.9	27.9	0	0	114.3
2092	Q	31.7	Very low	30.5	Very low	161 Å²	161	138.7 Å²	138.7	75%	0.752	75%	0.746	S	S	*	*			trans	65.8	148.9	152.2	-72.7	-179.4	-61.6	0	0	120.3
2093	E	29.4	Very low	31.1	Very low	153 Å²	153	140.7 Å²	140.7	72%	0.715	75%	0.752	S	S	*	*			cis	-172	162.8	-19	-156.7	170.2	173.9	0	0	109.7
2094	V	30.6	Very low	31.2	Very low	120 Å²	120	138.4 Å²	138.4	73%	0.727	75%	0.751	S	S	*	*			trans	85	136	160.4	-172.3	0	0	0	0	121.6
2095	D	31.3	Very low	31.5	Very low	132 Å²	132	143 Å²	143	71%	0.706	76%	0.763	S	S	*	*			trans	70.4	110.7	156.3	-76.7	-5.4	0	0	0	126.4
2096	L	31.9	Very low	31.3	Very low	164 Å²	164	140 Å²	140	86%	0.859	75%	0.753	S	S	*	*				61.2	120	123.2	-60.4	170.6	0	0	0	121.9
2097	G	34.5	Very low	31.3	Very low	76 Å²	76	148.6 Å²	148.6	78%	0.784	77%	0.766	S	S	*	*			trans	126.7	39.3	154.4	0	0	0	0	0	117.1	Q2099	G2097-Q2099 PolarHBondContact O-N 2.9Å
2098	Q	36.4	Very low	31.1	Very low	200 Å²	200	147 Å²	147	94%	0.935	76%	0.757	S	S	*	*			trans	-58.5	112.1	-165.3	-68.6	170.2	-31.1	0	0	115.7
2099	Q	29.4	Very low	31.1	Very low	163 Å²	163	146 Å²	146	76%	0.762	75%	0.753	S	S	*	*			trans	-155.5	127.6	157.8	-115.7	-178.3	3.8	0	0	111.9	G2097	G2097-Q2099 PolarHBondContact O-N 2.9Å
2100	Q	30	Very low	30.9	Very low	97 Å²	97	148.2 Å²	148.2	45%	0.453	75%	0.751	S	S	.	*			trans	63.7	122.2	154.1	-65	-178.7	-45.2	0	0	121.3
2101	Q	30.8	Very low	31.1	Very low	112 Å²	112	148.2 Å²	148.2	52%	0.523	75%	0.751	S	S	.	*			trans	72.2	143.7	136.8	-63.6	167.4	-6.3	0	0	117.8
2102	I	34.9	Very low	30.9	Very low	157 Å²	157	148.3 Å²	148.3	81%	0.805	75%	0.751	S	S	*	*			cis	-115.7	123.3	4	-63.4	172.3	0	0	0	108.3
2103	E	36.3	Very low	30.9	Very low	164 Å²	164	147.1 Å²	147.1	77%	0.766	75%	0.75	S	S	*	*			trans	-88.2	146.5	-153.9	-70.8	130.6	140.8	0	0	116.7
2104	E	30.5	Very low	30.9	Very low	191 Å²	191	147.5 Å²	147.5	89%	0.893	76%	0.756	S	S	*	*			trans	-109	177.6	-164.6	-66.8	-172.5	110.6	0	0	115.1
2105	L	31	Very low	30.9	Very low	184 Å²	184	145 Å²	145	96%	0.963	75%	0.754	S	S	*	*			trans	-64.7	135	170.4	-63.4	144.7	0	0	0	113
2106	G	28.4	Very low	30.9	Very low	66 Å²	66	143.7 Å²	143.7	68%	0.68	74%	0.744	S	S	*	*			trans	161.1	123.3	168.6	0	0	0	0	0	109.1
2107	W	26.9	Very low	30.7	Very low	241 Å²	241	141.5 Å²	141.5	91%	0.913	73%	0.729	S	S	*	*			cis	61.5	125.3	46.2	-77.6	80.4	0	0	0	115.3
2108	N	28.5	Very low	30.6	Very low	134 Å²	134	142.5 Å²	142.5	72%	0.717	72%	0.721	S	S	*	*			trans	82.5	96.4	168.4	-56.6	-18	0	0	0	119.6
2109	E	27.1	Very low	30.2	Very low	150 Å²	150	141.2 Å²	141.2	70%	0.701	71%	0.714	S	S	*	*				51.8	105.9	106.2	-156.3	-157.3	-129.8	0	0	119
2110	K	30.2	Very low	30.2	Very low	158 Å²	158	138.2 Å²	138.2	69%	0.687	71%	0.707	S	S	*	*				155.5	131	122.5	-84	-167.9	-179	72.6	0	114.6
2111	L	29.9	Very low	30.1	Very low	129 Å²	129	142.1 Å²	142.1	68%	0.675	73%	0.726	S	S	*	*			trans	59.5	124	142.8	-83.5	60.5	0	0	0	122.5
2112	E	29.8	Very low	29.9	Very low	162 Å²	162	142.4 Å²	142.4	76%	0.757	73%	0.73	S	S	*	*				84.7	108.6	127.2	-68.2	167.4	-176.2	0	0	122.1
2113	D	30.8	Very low	29.6	Very low	136 Å²	136	138.4 Å²	138.4	73%	0.727	71%	0.714	S	S	*	*				101.1	117.2	125.1	-94.3	10.4	0	0	0	124.1
2114	L	30.5	Very low	29.2	Very low	161 Å²	161	137.7 Å²	137.7	84%	0.843	72%	0.715	S	S	*	*			trans	64.7	99.3	138.8	-58.1	167.3	0	0	0	119.3
2115	G	30.7	Very low	29	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	71%	0.706	S	S	*	*			cis	125.1	171.3	28.7	0	0	0	0	0	112.5
2116	Q	30.8	Very low	28.7	Very low	105 Å²	105	135.6 Å²	135.6	49%	0.491	70%	0.697	S	S	.	*			trans	81.2	96.3	-178.2	-62.8	172.2	94.5	0	0	115.5
2117	Q	28.2	Very low	28.6	Very low	118 Å²	118	139 Å²	139	55%	0.551	70%	0.695	S	S	*	*				93.3	132.4	76	-85.1	-168.7	-73.5	0	0	111.4
2118	T	30.8	Very low	28.7	Very low	98 Å²	98	135.8 Å²	135.8	60%	0.601	69%	0.691	S	S	*	*			cis	-156.2	136.9	15.8	-5.1	0	0	0	0	112.6
2119	Q	27.9	Very low	28.8	Very low	172 Å²	172	133.9 Å²	133.9	80%	0.804	69%	0.693	S	S	*	*				50.6	142	126.2	-78.5	-175.9	-46.6	0	0	121.8
2120	V	29.8	Very low	28.7	Very low	100 Å²	100	132.4 Å²	132.4	61%	0.606	69%	0.686	S	S	*	*			cis	-142.6	149.4	6.2	130.6	0	0	0	0	110.6
2121	E	27.5	Very low	28.7	Very low	180 Å²	180	129.8 Å²	129.8	84%	0.841	68%	0.68	S	S	*	*			trans	29.7	99.6	162.4	-70.8	129.7	-136	0	0	120.9
2122	D	27.5	Very low	28.6	Very low	117 Å²	117	128.3 Å²	128.3	63%	0.626	67%	0.672	S	S	*	*			trans	-137.5	155.5	140.6	-160	-15.3	0	0	0	107
2123	T	28.6	Very low	28.6	Very low	74 Å²	74	121.3 Å²	121.3	45%	0.454	64%	0.644	S	S	.	*			trans	60.9	127.2	177.4	21.1	0	0	0	0	120.6
2124	D	27.5	Very low	28.7	Very low	148 Å²	148	119.3 Å²	119.3	79%	0.791	63%	0.63	S	S	*	*				168	155.2	119.4	-89.2	0.8	0	0	0	110.7
2125	W	26.2	Very low	28.8	Very low	186 Å²	186	113.4 Å²	113.4	71%	0.705	60%	0.598	S	S	*	*				-164.3	155.2	-50.7	-124.8	102.3	0	0	0	106.1	Q2127	W2125-Q2127 PolarHBondContact O-N 2.92Å
2126	N	24.9	Very low	28.8	Very low	145 Å²	145	114.4 Å²	114.4	78%	0.775	59%	0.585	S	S	*	*			trans	-72.6	107.8	168.9	-96	-61.3	0	0	0	110.2
2127	Q	27.2	Very low	28.7	Very low	138 Å²	138	109.8 Å²	109.8	65%	0.645	56%	0.563	S	S	*	*			trans	-169.4	125.6	162.3	-108.3	143.5	109.3	0	0	116.7	W2125	W2125-Q2127 PolarHBondContact O-N 2.92Å
2128	Q	28.8	Very low	29	Very low	174 Å²	174	108.2 Å²	108.2	81%	0.813	56%	0.561	S	S	*	*			trans	70.4	155.2	136.6	-66.8	166.8	-14.5	0	0	122.5
2129	A	29.5	Very low	29	Very low	93 Å²	93	111 Å²	111	77%	0.769	57%	0.568	S	S	*	*			trans	62.7	121.8	-179.4	0	0	0	0	0	116
2130	E	25.9	Very low	29.3	Very low	119 Å²	119	107.1 Å²	107.1	56%	0.556	56%	0.555	S	S	*	*			cis	66.8	94.4	10.8	-47.8	-172	179.8	0	0	117.2	K884	K884-E2130 WeakPolarHBondContact CE-OE1 3.42Å; K884-E2130 WeakPolarHBondContact CE-OE2 3.19Å; K884-E2130 IonicContact NZ-OE1 2.62Å; K884-E2130 IonicContact NZ-OE2 2.7Å; K884-E2130 PolarHBondContact NZ-OE2 3.32Å
2131	D	30.7	Very low	29.3	Very low	103 Å²	103	109.9 Å²	109.9	55%	0.551	56%	0.562	S	S	*	*				163.9	157.9	122.8	-86.6	-3.6	0	0	0	116.5	E876	E876-D2131 WeakPolarHBondContact CB-O 3.32Å
2132	L	28.2	Very low	29.5	Very low	98 Å²	98	107.9 Å²	107.9	51%	0.513	56%	0.557	S	S	.	*			trans	-29.3	157	-175.9	45	143.3	0	0	0	124.1	S874 E877	S874-L2132 WeakPolarHBondContact OG-CA 3.25Å; S874-L2132 WeakPolarHBondContact OG-CB 3.46Å; E877-L2132 HydrophobicContact CG-CB 3.74Å; E877-L2132 HydrophobicContact CG-CD2 4.35Å; E877-L2132 WeakPolarHBondContact OE1-CD2 2.94Å
2133	G	29.1	Very low	29.7	Very low	16 Å²	16	108.3 Å²	108.3	17%	0.165	56%	0.559	C	S	.	*			cis	104.3	169.2	-17.9	0	0	0	0	0	120.9	S874 E876	S874-G2133 WeakPolarHBondContact CB-O 3.44Å; S874-G2133 WeakPolarHBondContact OG-CA 3.37Å; S874-G2133 PolarHBondContact OG-O 3.35Å; S874-G2133 VanDerWaalsContact OG-O 3.09Å; E876-G2133 WeakPolarHBondContact OE2-CA 3.38Å; E876-G2133 PolarHBondContact OE2-N 3.21Å; E876-G2133 VanDerWaalsContact OE2-N 3.17Å
2134	Q	32.3	Very low	30	Very low	93 Å²	93	110.6 Å²	110.6	44%	0.435	57%	0.568	S	S	.	*			trans	-171.8	144.1	162.7	-111.6	150.5	115.1	0	0	121.8	S874 M922	S874-Q2134 VanDerWaalsContact CA-CA 3.45Å; S874-Q2134 VanDerWaalsContact CB-CA 3.49Å; S874-Q2134 PolarHBondContact OG-N 2.92Å; M922-Q2134 WeakPolarHBondContact CG-O 3.3Å
2135	Q	33.1	Very low	30.1	Very low	38 Å²	38	110.7 Å²	110.7	18%	0.178	56%	0.563	C	S	.	*			trans	69	161.6	141.2	-84.7	159	28.5	0	0	123.3	L873 I920	L873-Q2135 PolarHBondContact O-N 3.44Å; I920-Q2135 VanDerWaalsContact CA-O 3.25Å; I920-Q2135 WeakPolarHBondContact CA-O 3.18Å; I920-Q2135 WeakPolarHBondContact CG2-O 3.35Å
2136	Q	30.5	Very low	30.3	Very low	87 Å²	87	109.7 Å²	109.7	41%	0.407	56%	0.564	S	S	.	*			cis	-155.3	162.5	-19.6	-140.2	176	33.7	0	0	115.7	I868 N872 L919	I868-Q2136 VanDerWaalsContact CG2-CA 3.45Å; N872-Q2136 PolarHBondContact OD1-NE2 3.37Å; L919-Q2136 CarbonylContact C-O 3.53Å; L919-Q2136 CarbonylContact O-C 3.58Å; L919-Q2136 PolarHBondContact O-N 2.9Å; L919-Q2136 VanDerWaalsContact O-N 3.07Å
2137	Q	29.7	Very low	30.5	Very low	9 Å²	9	108.7 Å²	108.7	4%	0.042	56%	0.559	C	S	.	*			trans	-100.6	-120	-165.1	-151.6	176.8	89.2	0	0	118.1	L864 L865 I868 N869 L919	L864-Q2137 PolarHBondContact O-NE2 3.05Å; L865-Q2137 HydrophobicContact CB-CG 4.46Å; L865-Q2137 HydrophobicContact CD2-CG 3.71Å; L865-Q2137 PolarHBondContact O-OE1 2.87Å; I868-Q2137 VanDerWaalsContact C-CB 3.41Å; I868-Q2137 VanDerWaalsContact CA-NE2 3.28Å; I868-Q2137 HydrophobicContact CB-CB 3.8Å; I868-Q2137 HydrophobicContact CB-CG 4.13Å; I868-Q2137 HydrophobicContact CG2-CB 4.07Å; N869-Q2137 HydrophobicContact CB-CB 4.07Å; N869-Q2137 HydrophobicContact CB-CG 4.38Å; N869-Q2137 VanDerWaalsContact N-CB 3.3Å; N869-Q2137 VanDerWaalsContact N-OE1 3.14Å; N869-Q2137 PolarHBondContact ND2-OE1 3.32Å; L919-Q2137 WeakPolarHBondContact CD2-O 3.34Å
2138	V	33.1	Very low	30.7	Very low	85 Å²	85	108.8 Å²	108.8	52%	0.515	56%	0.559	S	S	.	*			trans	74	136.7	-164.2	177.5	0	0	0	0	111.7	N869	N869-V2138 PolarHBondContact OD1-N 3.48Å
2139	Q	32.1	Very low	30.9	Very low	156 Å²	156	105.9 Å²	105.9	73%	0.729	55%	0.553	S	S	*	*			cis	-163.7	-175.3	-0.9	-127.3	179.8	-11.7	0	0	108.7
2140	V	33.1	Very low	31	Very low	90 Å²	90	110.8 Å²	110.8	55%	0.545	56%	0.56	S	S	.	*			cis	-163.4	164.5	-7.6	69.5	0	0	0	0	110
2141	E	30.4	Very low	31	Very low	159 Å²	159	108.1 Å²	108.1	74%	0.743	57%	0.565	S	S	*	*			trans	57.3	144	158.5	-80.7	144.3	-138.8	0	0	121.3
2142	D	31.9	Very low	30.8	Very low	137 Å²	137	112.3 Å²	112.3	73%	0.733	58%	0.581	S	S	*	*			cis	-154.9	153.6	-4.4	-139	-4.2	0	0	0	116.5
2143	D	31.9	Very low	30.8	Very low	126 Å²	126	112.5 Å²	112.5	67%	0.674	59%	0.59	S	S	*	*			trans	59	143.7	145.7	-117	-6.5	0	0	0	129.2
2144	L	34.1	Very low	30.8	Very low	122 Å²	122	116.7 Å²	116.7	64%	0.639	62%	0.617	S	S	*	*			trans	76.2	90.8	149.4	-66.5	167	0	0	0	126
2145	H	30.1	Very low	30.4	Very low	151 Å²	151	117.3 Å²	117.3	70%	0.699	63%	0.632	S	S	*	*				88	130.6	109.2	-90	18.1	0	0	0	125.5
2146	F	29.6	Very low	30.1	Very low	164 Å²	164	120.3 Å²	120.3	72%	0.719	66%	0.657	S	S	*	*			trans	54.5	128.4	153.9	-79	-104	0	0	0	120.4
2147	D	28.5	Very low	29.9	Very low	124 Å²	124	123.4 Å²	123.4	66%	0.663	68%	0.676	S	S	*	*			cis	118	153.7	15.4	-176.1	40.6	0	0	0	112.5
2148	Q	32.2	Very low	29.8	Very low	141 Å²	141	128.6 Å²	128.6	66%	0.659	71%	0.713	S	S	*	*			trans	73.6	88.3	165.9	-88	166.7	78.3	0	0	121.8
2149	T	32.2	Very low	29.5	Very low	112 Å²	112	136.2 Å²	136.2	69%	0.687	73%	0.733	S	S	*	*				65.1	137	118.5	56.2	0	0	0	0	124.1
2150	Q	32	Very low	29.5	Very low	196 Å²	196	134.4 Å²	134.4	92%	0.916	74%	0.738	S	S	*	*			trans	68.1	157.5	153.9	-68.7	-179.6	27.2	0	0	118.3
2151	G	27	Very low	29.3	Very low	63 Å²	63	138.8 Å²	138.8	65%	0.649	75%	0.752	S	S	*	*			trans	153.2	-11.3	144	0	0	0	0	0	122.1
2152	H	26.7	Very low	29.5	Very low	191 Å²	191	136 Å²	136	88%	0.884	75%	0.748	S	S	*	*			trans	60	165.2	175.6	-68.4	-63.7	0	0	0	118.9
2153	S	27.4	Very low	29.4	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	75%	0.746	S	S	*	*			trans	69.1	114.9	150.6	34	0	0	0	0	120.8
2154	S	28.4	Very low	29.5	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	75%	0.749	S	S	*	*				75.9	87	124	-52.4	0	0	0	0	119.8
2155	S	25.7	Very low	29.3	Very low	106 Å²	106	139.6 Å²	139.6	74%	0.741	76%	0.756	S	S	*	*				71	139.3	118.3	68.3	0	0	0	0	121.9
2156	S	26.8	Very low	29.3	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	76%	0.759	S	S	*	*			trans	85.6	116.8	150	78.3	0	0	0	0	120.1
2157	N	25.5	Very low	29.3	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	77%	0.765	S	S	*	*			trans	45.8	98.1	130	-58.6	-11.2	0	0	0	120.1
2158	S	27.9	Very low	29.2	Very low	117 Å²	117	137 Å²	137	82%	0.818	77%	0.766	S	S	*	*				-169.6	133	115.2	25.1	0	0	0	0	109.5
2159	R	25.8	Very low	29.1	Very low	245 Å²	245	136.8 Å²	136.8	93%	0.925	77%	0.774	S	S	*	*			cis	83.1	70.7	46.4	-168.1	-149	-175	170.8	3.3	113.5
2160	S	32.8	Very low	28.7	Very low	119 Å²	119	138.3 Å²	138.3	83%	0.832	77%	0.773	S	S	*	*			trans	-163.3	113	150.4	49	0	0	0	0	112.9
2161	Q	28.7	Very low	28.6	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	77%	0.77	S	S	*	*			trans	-76.2	-168.8	147.1	-39.8	167.5	-69.3	0	0	107.9
2162	P	35	Very low	28.6	Very low	102 Å²	102	141.9 Å²	141.9	66%	0.662	78%	0.782	S	S	*	*			cis	-137.7	-163.7	-8.8	25.3	1.3	0	0	0	113.2
2163	L	29.8	Very low	28.8	Very low	132 Å²	132	137.5 Å²	137.5	69%	0.691	78%	0.779	S	S	*	*			trans	122.8	136.4	130.6	-86.7	156.6	0	0	0	119.3
2164	Q	33.3	Very low	29	Very low	159 Å²	159	139.5 Å²	139.5	74%	0.743	79%	0.787	S	S	*	*			trans	76.4	142.3	155	-69	164.6	8	0	0	120.4
2165	Q	30.4	Very low	29.3	Very low	168 Å²	168	140 Å²	140	79%	0.785	79%	0.791	S	S	*	*			cis	-170.5	143.9	-40.1	-126.3	172.5	-16.5	0	0	111.6
2166	A	29.6	Very low	29.9	Very low	91 Å²	91	142 Å²	142	75%	0.752	79%	0.789	S	S	*	*			trans	64.6	160.9	163	0	0	0	0	0	116.6
2167	T	30.4	Very low	30.4	Very low	139 Å²	139	140.1 Å²	140.1	85%	0.853	77%	0.774	S	S	*	*			cis	-141.7	156.8	12.2	-40.4	0	0	0	0	111.7
2168	K	25.7	Very low	30.9	Very low	154 Å²	154	135.1 Å²	135.1	67%	0.67	75%	0.75	S	S	*	*			trans	-68.6	158.8	174	-69.7	-178.4	147	-139.8	0	113.5	E2170	K2168-E2170 IonicContact NZ-OE1 2.95Å; K2168-E2170 PolarHBondContact NZ-OE1 2.99Å; K2168-E2170 IonicContact NZ-OE2 3.8Å; K2168-E2170 PolarHBondContact NZ-OE2 2.8Å
2169	V	30.4	Very low	31.6	Very low	137 Å²	137	136.8 Å²	136.8	83%	0.83	74%	0.743	S	S	*	*				-157.1	146.6	114.3	140.3	0	0	0	0	109
2170	E	24.3	Very low	32.5	Very low	145 Å²	145	133 Å²	133	68%	0.678	73%	0.729	S	S	*	*			trans	-92	142.7	179.3	-71.6	129.8	119.2	0	0	111.8	K2168	K2168-E2170 IonicContact NZ-OE1 2.95Å; K2168-E2170 PolarHBondContact NZ-OE1 2.99Å; K2168-E2170 IonicContact NZ-OE2 3.8Å; K2168-E2170 PolarHBondContact NZ-OE2 2.8Å
2171	V	30.2	Very low	33.4	Very low	140 Å²	140	132.2 Å²	132.2	85%	0.848	71%	0.712	S	S	*	*			trans	-142	137.4	155.9	-177.9	0	0	0	0	107.6
2172	E	25.7	Very low	34.7	Very low	194 Å²	194	128 Å²	128	91%	0.907	69%	0.691	S	S	*	*			trans	-75.5	147.1	-176.3	-65	153.7	121.5	0	0	112.4
2173	A	32	Very low	34.9	Very low	99 Å²	99	125.7 Å²	125.7	82%	0.818	67%	0.673	S	S	*	*			trans	-129.3	120.6	168.5	0	0	0	0	0	108.8	S2175	A2173-S2175 PolarHBondContact O-N 3.05Å
2174	T	31.2	Very low	35.8	Very low	144 Å²	144	126.2 Å²	126.2	88%	0.883	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-66.2	128.8	177.4	44.2	0	0	0	0	110.8	E2176	T2174-E2176 PolarHBondContact O-N 2.68Å
2175	S	34	Very low	36.6	Very low	114 Å²	114	126.3 Å²	126.3	80%	0.797	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-64.3	127.9	178.4	50.4	0	0	0	0	112.3	A2173	A2173-S2175 PolarHBondContact O-N 3.05Å
2176	E	38.2	Very low	37.3	Very low	149 Å²	149	126.2 Å²	126.2	70%	0.696	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-63	147.4	155.8	-74.6	-164.2	-158.6	0	0	110.2	T2174 S2178 K2182	T2174-E2176 PolarHBondContact O-N 2.68Å; E2176-S2178 PolarHBondContact O-N 3.31Å; E2176-K2182 IonicContact OE2-NZ 3.7Å; E2176-K2182 PolarHBondContact OE2-NZ 2.85Å
2177	P	37.3	Very low	37.6	Very low	61 Å²	61	127.3 Å²	127.3	40%	0.396	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-58.9	133.6	171.9	21	-27.8	0	0	0	109.8	E2181 K2182	P2177-E2181 WeakPolarHBondContact CA-OE2 3.36Å; P2177-E2181 HydrophobicContact CB-CB 4Å; P2177-K2182 HydrophobicContact CG-CG 4.44Å; P2177-K2182 WeakPolarHBondContact O-CE 3.47Å; P2177-K2182 PolarHBondContact O-NZ 3.4Å
2178	S	35.9	Very low	37.6	Very low	47 Å²	47	126.8 Å²	126.8	33%	0.329	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-63.2	163.3	-172.6	65.4	0	0	0	0	111.6	E2176 W2180 E2181 K2182	E2176-S2178 PolarHBondContact O-N 3.31Å; S2178-W2180 PolarHBondContact O-N 3.27Å; S2178-W2180 VanDerWaalsContact O-N 3.1Å; S2178-E2181 PolarHBondContact N-OE2 3.4Å; S2178-E2181 PolarHBondContact O-N 3.24Å; S2178-E2181 PolarHBondContact OG-N 3.39Å; S2178-E2181 PolarHBondContact OG-OE2 3.25Å; S2178-E2181 VanDerWaalsContact OG-OE2 3.09Å; S2178-K2182 PolarHBondContact O-N 2.87Å
2179	F	42.5	Very low	38.2	Very low	152 Å²	152	125.5 Å²	125.5	67%	0.667	68%	0.683	S	S	*	*	H	α-helix	trans	-51.3	-35.7	172.6	177.7	-97.3	0	0	0	111.8	L2183	F2179-L2183 HydrophobicContact CE1-CD1 4.16Å; F2179-L2183 HydrophobicContact CZ-CD1 4Å; F2179-L2183 VanDerWaalsContact O-CB 3.26Å; F2179-L2183 WeakPolarHBondContact O-CB 3.48Å; F2179-L2183 PolarHBondContact O-N 2.95Å
2180	W	44.4	Very low	38.7	Very low	166 Å²	166	124.8 Å²	124.8	63%	0.629	68%	0.675	S	S	*	*	H	α-helix	trans	-73.2	-27.5	178	-76.3	108.8	0	0	0	114.8	S2178 L2183 K2184	S2178-W2180 PolarHBondContact O-N 3.27Å; S2178-W2180 VanDerWaalsContact O-N 3.1Å; W2180-L2183 HydrophobicContact CE3-CD2 3.88Å; W2180-L2183 HydrophobicContact CZ3-CD2 3.71Å; W2180-K2184 WeakPolarHBondContact O-CB 3.36Å; W2180-K2184 WeakPolarHBondContact O-CG 3.31Å; W2180-K2184 PolarHBondContact O-N 2.75Å
2181	E	52.1	Low	39.5	Very low	103 Å²	103	123.7 Å²	123.7	48%	0.481	68%	0.675	S	S	.	*	H	α-helix	trans	-76.7	-45.6	171.3	-73.6	164.6	127.8	0	0	110.4	P2177 S2178 L2183 K2184 E2185	P2177-E2181 WeakPolarHBondContact CA-OE2 3.36Å; P2177-E2181 HydrophobicContact CB-CB 4Å; S2178-E2181 PolarHBondContact N-OE2 3.4Å; S2178-E2181 PolarHBondContact O-N 3.24Å; S2178-E2181 PolarHBondContact OG-N 3.39Å; S2178-E2181 PolarHBondContact OG-OE2 3.25Å; S2178-E2181 VanDerWaalsContact OG-OE2 3.09Å; E2181-L2183 PolarHBondContact O-N 2.87Å; E2181-K2184 PolarHBondContact O-N 3.17Å; E2181-E2185 PolarHBondContact O-N 3.36Å
2182	K	56.8	Low	40	Very low	91 Å²	91	122.8 Å²	122.8	40%	0.396	67%	0.665	S	S	.	*	H	α-helix	trans	-60	-24.6	171.6	-67.4	172.4	180	164.4	0	112.6	E2176 P2177 S2178 K2186	E2176-K2182 IonicContact OE2-NZ 3.7Å; E2176-K2182 PolarHBondContact OE2-NZ 2.85Å; P2177-K2182 HydrophobicContact CG-CG 4.44Å; P2177-K2182 WeakPolarHBondContact O-CE 3.47Å; P2177-K2182 PolarHBondContact O-NZ 3.4Å; S2178-K2182 PolarHBondContact O-N 2.87Å; K2182-K2186 WeakPolarHBondContact O-CG 3.36Å
2183	L	39	Very low	40.9	Very low	54 Å²	54	118.3 Å²	118.3	28%	0.283	65%	0.65	S	S	.	*	H	α-helix	trans	-81.1	-37.9	171.5	-154	83.8	0	0	0	112.3	F2179 W2180 E2181 K2186 L2187	F2179-L2183 HydrophobicContact CE1-CD1 4.16Å; F2179-L2183 HydrophobicContact CZ-CD1 4Å; F2179-L2183 VanDerWaalsContact O-CB 3.26Å; F2179-L2183 WeakPolarHBondContact O-CB 3.48Å; F2179-L2183 PolarHBondContact O-N 2.95Å; W2180-L2183 HydrophobicContact CE3-CD2 3.88Å; W2180-L2183 HydrophobicContact CZ3-CD2 3.71Å; E2181-L2183 PolarHBondContact O-N 2.87Å; L2183-K2186 CarbonylContact O-C 3.4Å; L2183-K2186 PolarHBondContact O-N 3.21Å; L2183-L2187 HydrophobicContact CD2-CD1 3.84Å; L2183-L2187 HydrophobicContact CG-CD1 3.79Å; L2183-L2187 WeakPolarHBondContact O-CB 3.23Å; L2183-L2187 VanDerWaalsContact O-CG 3.31Å; L2183-L2187 WeakPolarHBondContact O-CG 3.33Å; L2183-L2187 PolarHBondContact O-N 3.26Å
2184	K	49.3	Very low	41.5	Very low	143 Å²	143	119.6 Å²	119.6	62%	0.622	64%	0.638	S	S	*	*	H	α-helix	trans	-69	-46.4	177	-83.6	-175.2	170.6	-166.3	0	112.7	W2180 E2181 K2186 L2187 G2188	W2180-K2184 WeakPolarHBondContact O-CB 3.36Å; W2180-K2184 WeakPolarHBondContact O-CG 3.31Å; W2180-K2184 PolarHBondContact O-N 2.75Å; E2181-K2184 PolarHBondContact O-N 3.17Å; K2184-K2186 PolarHBondContact O-N 2.8Å; K2184-L2187 PolarHBondContact O-N 3.44Å; K2184-G2188 PolarHBondContact O-N 3.17Å
2185	E	49.2	Very low	42.2	Very low	162 Å²	162	117.9 Å²	117.9	76%	0.757	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-15.5	173.1	-68	-174.6	134.4	0	0	112.8	E2181	E2181-E2185 PolarHBondContact O-N 3.36Å
2186	K	45.9	Very low	42.9	Very low	165 Å²	165	118.2 Å²	118.2	72%	0.717	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-9.8	173	-79.1	-168.7	162.2	-133.3	0	115.6	K2182 L2183 K2184	K2182-K2186 WeakPolarHBondContact O-CG 3.36Å; L2183-K2186 CarbonylContact O-C 3.4Å; L2183-K2186 PolarHBondContact O-N 3.21Å; K2184-K2186 PolarHBondContact O-N 2.8Å
2187	L	36	Very low	43.2	Very low	115 Å²	115	115.6 Å²	115.6	60%	0.602	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	-22.4	-177.8	-75.5	171.7	0	0	0	113.9	L2183 K2184	L2183-L2187 HydrophobicContact CD2-CD1 3.84Å; L2183-L2187 HydrophobicContact CG-CD1 3.79Å; L2183-L2187 WeakPolarHBondContact O-CB 3.23Å; L2183-L2187 VanDerWaalsContact O-CG 3.31Å; L2183-L2187 WeakPolarHBondContact O-CG 3.33Å; L2183-L2187 PolarHBondContact O-N 3.26Å; K2184-L2187 PolarHBondContact O-N 3.44Å
2188	G	30.6	Very low	43.8	Very low	128 Å²	128	120.5 Å²	120.5	100%	1.32	62%	0.618	S	S	*	*			trans	107.9	0	-174.8	0	0	0	0	0	112.8	K2184	K2184-G2188 PolarHBondContact O-N 3.17Å

Retrieved 2,188 of 2,188 residues in 2277.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).