A0A087YIF2_POEFO Loading...

Valine--tRNA ligase, mitochondrial

Catalyzes the attachment of valine to tRNA(Val) in a two-step reaction: valine is first activated by ATP to form Val-AMP and then transferred to the acceptor end of tRNA(Val).

AlphaFold DB , UniProt , Accession A0A087YIF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,081 aa.

						>A0A087YIF2_POEFO|A0A087YIF2
MLTIMCRCFLRNSGLRRKLRKILADGLPFSPSEPSRPVPSAQLRPQDYVRRRRQEREENILSAQHDKVGDQTLNWSEIPKVAYTAQTPAGTKKDTSLPFPSAYSPDYVESCWYQWWEKEGFFNPDQHERLPHRVDQTFSLCIPPPNVTGTLHLGHALTVAVQDALVRWRRMQGHRVLWVPGCDHAGIATQTVVERRLLRDKGKRRQDFTREEFLQEVWKWKNEKGEEIYHQLRGLGASLDWSRACFTMDPGFSRAVTEAFVRLCDSGLIYRSDGLVNWSCALQSAISDIEVETRDVSGPTLMSVPGYDNKVEFGTMFTFAYPVEGHDGEVAVSTTRPETMLGDVAVAVHPDDPRYQTFHGLLCKHPFTNKLIPIITDTMVDMDMGTGAVKVTPAHDFMDFQLSQKHSLPRPSVIRGDGTMEPLCGQWLEGVKRFDARQLVVNALVEKKLFRGKKNHTMTLPICSRSGDIIEPLLKKQWFVRCDTMAMKAIEAVEDGQLEIIPHYYTKMWKNWLSSISDWCVSRQLWWGHQIPAYQVQLPNSTPEEEELWVWGRSEEEARQRAAVKYGVSPEHITLRQESDPDVLDTWFSSALFPFTMLGWPEKTPDLQRFYPNSLLETGSDLIFFWVARMVMLGSELTGQLPFKQVLFHSLVRDKYGRKMSKSLGNVIDPLDVMHGASLQRLQEKVKEGNLDPKEQLVALKAQSSDYPNGIPQCGTDALRFALCSHNMQGGPISLSVSEVILFRNFCNKMWQTLRFTLGVVGENTPVGTLEETTPLNSMERWICSRLYSTVVQCEQAFEAYELHNVTSALFSFWLYNLCDVYLESVKPVLKQNEGDKDHSSNTKQEARTVLYHCVSLSLALFSPFMPFITEELWQRLQPFRPGATAQTSLCLQPYPRSTQLAHWYFPEEEKDFLLVQNVVRVARFLRAQCGLVKERPVMWAVCSPSQAQTLLRFGSAVWTLSQISSLQIYCPDQDGHLPSVHSTAPPAGCLVGVVDHTCQLHLHIQSAVDIEQLIRHLSQRKDTLLPKLEKSLCKLQSSNNPTKTPADIRQRMENKVSVLQQELKTIEDRIKVLQETQSKG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.6	Very low	26.5	Very low	214 Å²	214	139 Å²	139	100%	1.054	69%	0.688	S	S	*	*				0	-36.3	0	-102.2	176.9	174.2	0	0	114.7	T3	M1-T3 PolarHBondContact O-N 2.92Å
2	L	22.6	Very low	27	Very low	120 Å²	120	136.2 Å²	136.2	63%	0.628	68%	0.678	S	S	*	*	H	α-helix	trans	-68.2	-26.3	179.7	-107.5	99.4	0	0	0	115.8
3	T	22.5	Very low	27.4	Very low	107 Å²	107	133.5 Å²	133.5	66%	0.656	68%	0.68	S	S	*	*	H	α-helix	trans	-78.7	-22.4	-170.7	-32.4	0	0	0	0	113.9	M1	M1-T3 PolarHBondContact O-N 2.92Å
4	I	25.8	Very low	27.6	Very low	139 Å²	139	127.2 Å²	127.2	71%	0.713	67%	0.665	S	S	*	*	H	α-helix	trans	-83.3	-33.5	179.6	-64.3	174.4	0	0	0	110.8	C6 R7	I4-C6 PolarHBondContact O-N 3.45Å; I4-R7 PolarHBondContact O-N 2.92Å
5	M	28.6	Very low	28.2	Very low	81 Å²	81	123.7 Å²	123.7	40%	0.399	65%	0.647	S	S	.	*	H	α-helix	trans	-63.6	-36.7	173.7	-87.5	-165.1	166	0	0	112.6	R7 F9	M5-R7 VanDerWaalsContact C-N 3.32Å; M5-R7 PolarHBondContact O-N 3.46Å; M5-F9 VanDerWaalsContact O-CD2 3.23Å; M5-F9 WeakPolarHBondContact O-CD2 3.46Å
6	C	25.1	Very low	28.6	Very low	83 Å²	83	124.1 Å²	124.1	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-24.6	-178.7	-79.3	0	0	0	0	114.7	I4	I4-C6 PolarHBondContact O-N 3.45Å
7	R	26	Very low	28.8	Very low	212 Å²	212	129.2 Å²	129.2	80%	0.8	65%	0.647	S	S	*	*	H	α-helix	trans	-77.2	-24.8	-175.5	-76.2	-172.6	177.1	-169.8	0.1	113.9	I4 M5	I4-R7 PolarHBondContact O-N 2.92Å; M5-R7 VanDerWaalsContact C-N 3.32Å; M5-R7 PolarHBondContact O-N 3.46Å
8	C	26.9	Very low	29.2	Very low	109 Å²	109	128.9 Å²	128.9	74%	0.736	64%	0.641	S	S	*	*	H	α-helix	trans	-83.5	-23.1	178.2	-69.2	0	0	0	0	114
9	F	36	Very low	29.7	Very low	92 Å²	92	123.2 Å²	123.2	40%	0.404	61%	0.612	S	S	.	*	H	α-helix	trans	-85.2	-17.1	-170.7	-84.8	-100.8	0	0	0	115.1	M5	M5-F9 VanDerWaalsContact O-CD2 3.23Å; M5-F9 WeakPolarHBondContact O-CD2 3.46Å
10	L	26.3	Very low	29.9	Very low	148 Å²	148	126.3 Å²	126.3	78%	0.775	62%	0.616	S	S	*	*	S	Bend	trans	-104.8	-7.9	-168.5	-77.8	164	0	0	0	116.3
11	R	25.7	Very low	30.1	Very low	224 Å²	224	128.3 Å²	128.3	85%	0.845	62%	0.622	S	S	*	*	S	Bend	trans	-93.2	-6.7	-172.1	-90.5	-172.7	176.9	-171.7	-0.8	117.4
12	N	33.1	Very low	30.5	Very low	105 Å²	105	123.5 Å²	123.5	56%	0.561	60%	0.6	S	S	*	*			trans	-120.1	52.2	-168.4	-89.9	-24	0	0	0	115.3	G14 L15 R16	N12-G14 PolarHBondContact O-N 3.45Å; N12-L15 HydrophobicContact CB-CB 3.91Å; N12-L15 PolarHBondContact O-N 3.05Å; N12-R16 PolarHBondContact O-N 3.17Å
13	S	31.9	Very low	31.1	Very low	101 Å²	101	120.1 Å²	120.1	71%	0.706	58%	0.582	S	S	*	*	H	α-helix	trans	-61.9	-28.2	167.2	56	0	0	0	0	112.7	R17	S13-R17 PolarHBondContact O-N 3.48Å
14	G	30.6	Very low	31.5	Very low	46 Å²	46	118.7 Å²	118.7	47%	0.474	58%	0.581	S	S	.	*	H	α-helix	trans	-68.9	-41.8	174.6	0	0	0	0	0	113.9	N12 R17 K18	N12-G14 PolarHBondContact O-N 3.45Å; G14-R17 PolarHBondContact O-N 2.95Å; G14-K18 PolarHBondContact O-N 2.91Å; G14-K18 VanDerWaalsContact O-N 3.13Å
15	L	35.7	Very low	31.8	Very low	74 Å²	74	119.4 Å²	119.4	39%	0.387	59%	0.587	S	S	.	*	H	α-helix	trans	-64	-42.6	178.4	-159	78.9	0	0	0	111.1	N12 R17 K18 L19	N12-L15 HydrophobicContact CB-CB 3.91Å; N12-L15 PolarHBondContact O-N 3.05Å; L15-R17 PolarHBondContact O-N 3.09Å; L15-K18 PolarHBondContact O-N 3.32Å; L15-L19 HydrophobicContact CD2-CD1 4.14Å; L15-L19 HydrophobicContact CG-CD1 3.9Å; L15-L19 VanDerWaalsContact O-CB 3.25Å; L15-L19 WeakPolarHBondContact O-CB 3.2Å; L15-L19 WeakPolarHBondContact O-CD1 3.03Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.47Å
16	R	35.4	Very low	31.8	Very low	131 Å²	131	117.5 Å²	117.5	49%	0.494	59%	0.588	S	S	.	*	H	α-helix	trans	-58.2	-32.4	174.8	-77.2	-178.1	166.4	178.6	-5.5	113.2	N12 R20 D820	N12-R16 PolarHBondContact O-N 3.17Å; R16-R20 PolarHBondContact O-N 3.31Å; R16-R20 VanDerWaalsContact O-N 3.17Å; R16-D820 IonicContact NH2-OD1 3.62Å; R16-D820 IonicContact NH2-OD2 3.49Å; R16-D820 PolarHBondContact NH2-OD2 2.84Å
17	R	32.7	Very low	31.7	Very low	211 Å²	211	120.3 Å²	120.3	80%	0.796	60%	0.596	S	S	*	*	H	α-helix	trans	-81	-38	-179	-141	178	-169.4	177.9	3.3	112.4	S13 G14 L15 K21	S13-R17 PolarHBondContact O-N 3.48Å; G14-R17 PolarHBondContact O-N 2.95Å; L15-R17 PolarHBondContact O-N 3.09Å; R17-K21 PolarHBondContact O-N 2.94Å
18	K	35.2	Very low	31.9	Very low	124 Å²	124	115.5 Å²	115.5	54%	0.539	59%	0.592	S	S	.	*	H	α-helix	trans	-67.1	-43.8	170.3	-86.8	-176.1	173.8	-176.6	0	111	G14 L15 R20 K21 I22 D70	G14-K18 PolarHBondContact O-N 2.91Å; G14-K18 VanDerWaalsContact O-N 3.13Å; L15-K18 PolarHBondContact O-N 3.32Å; K18-R20 PolarHBondContact O-N 2.89Å; K18-K21 WeakPolarHBondContact O-CB 3.06Å; K18-K21 PolarHBondContact O-N 2.88Å; K18-K21 VanDerWaalsContact O-N 3.07Å; K18-I22 WeakPolarHBondContact O-CG1 3.33Å; K18-I22 PolarHBondContact O-N 3.47Å; K18-I22 VanDerWaalsContact O-N 3.14Å; K18-D70 IonicContact NZ-OD1 3.98Å; K18-D70 PolarHBondContact NZ-OD1 3.21Å
19	L	37.9	Very low	31.6	Very low	20 Å²	20	120.1 Å²	120.1	11%	0.105	60%	0.6	C	S	.	*	H	α-helix	trans	-59.5	-45.1	177	-82.8	160.6	0	0	0	113.5	L15 K21 I22 L23 L742 F811	L15-L19 HydrophobicContact CD2-CD1 4.14Å; L15-L19 HydrophobicContact CG-CD1 3.9Å; L15-L19 VanDerWaalsContact O-CB 3.25Å; L15-L19 WeakPolarHBondContact O-CB 3.2Å; L15-L19 WeakPolarHBondContact O-CD1 3.03Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.47Å; L19-K21 PolarHBondContact O-N 3.34Å; L19-I22 PolarHBondContact O-N 3.4Å; L19-L23 WeakPolarHBondContact O-CB 3.2Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 2.96Å; L19-L742 HydrophobicContact CD2-CD1 3.86Å; L19-L742 HydrophobicContact CG-CD1 4.36Å; L19-F811 HydrophobicContact CD2-CE1 4.27Å; L19-F811 HydrophobicContact CD2-CZ 4.18Å
20	R	34.8	Very low	30.9	Very low	184 Å²	184	119.8 Å²	119.8	69%	0.694	61%	0.61	S	S	*	*	H	α-helix	trans	-63.3	-27.7	174.3	-83.1	-174.1	-179.6	-174.7	0.1	113.3	R16 K18 A24	R16-R20 PolarHBondContact O-N 3.31Å; R16-R20 VanDerWaalsContact O-N 3.17Å; K18-R20 PolarHBondContact O-N 2.89Å; R20-A24 WeakPolarHBondContact O-CB 3.18Å; R20-A24 PolarHBondContact O-N 3.33Å
21	K	33.1	Very low	30.7	Very low	169 Å²	169	118.4 Å²	118.4	74%	0.735	61%	0.609	S	S	*	*	H	α-helix	trans	-79	-31.4	-179.9	-162.9	-179.3	178.5	-170.9	0	111.9	R17 K18 L19	R17-K21 PolarHBondContact O-N 2.94Å; K18-K21 WeakPolarHBondContact O-CB 3.06Å; K18-K21 PolarHBondContact O-N 2.88Å; K18-K21 VanDerWaalsContact O-N 3.07Å; L19-K21 PolarHBondContact O-N 3.34Å
22	I	35.3	Very low	30.8	Very low	113 Å²	113	113.3 Å²	113.3	58%	0.579	61%	0.608	S	S	*	*	H	α-helix	trans	-77.2	-38.3	175.7	-64.4	167.9	0	0	0	110.9	K18 L19	K18-I22 WeakPolarHBondContact O-CG1 3.33Å; K18-I22 PolarHBondContact O-N 3.47Å; K18-I22 VanDerWaalsContact O-N 3.14Å; L19-I22 PolarHBondContact O-N 3.4Å
23	L	33.8	Very low	30.2	Very low	49 Å²	49	115.4 Å²	115.4	26%	0.257	62%	0.615	S	S	.	*	H	α-helix	trans	-86.2	-18.9	-178.8	-67.5	167.3	0	0	0	114.4	L19 D25 G26 F811 Y816	L19-L23 WeakPolarHBondContact O-CB 3.2Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 2.96Å; L23-D25 PolarHBondContact O-N 3.2Å; L23-G26 PolarHBondContact O-N 3.14Å; L23-F811 HydrophobicContact CD1-CE1 4.34Å; L23-Y816 HydrophobicContact CD1-CE2 3.75Å; L23-Y816 VanDerWaalsContact CD1-OH 3.26Å; L23-Y816 WeakPolarHBondContact CD1-OH 3.11Å
24	A	32.1	Very low	29.9	Very low	78 Å²	78	116.4 Å²	116.4	65%	0.645	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-10.3	176.4	0	0	0	0	0	113.6	R20 G26	R20-A24 WeakPolarHBondContact O-CB 3.18Å; R20-A24 PolarHBondContact O-N 3.33Å; A24-G26 PolarHBondContact O-N 3.03Å
25	D	30.6	Very low	29.6	Very low	154 Å²	154	119.4 Å²	119.4	82%	0.824	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	1.2	170.6	-67.7	-22.4	0	0	0	112.4	L23	L23-D25 PolarHBondContact O-N 3.2Å
26	G	29.1	Very low	29	Very low	41 Å²	41	126.9 Å²	126.9	42%	0.423	66%	0.655	S	S	.	*	S	Bend	trans	-143.2	108.4	173.6	0	0	0	0	0	114.9	L23 A24	L23-G26 PolarHBondContact O-N 3.14Å; A24-G26 PolarHBondContact O-N 3.03Å
27	L	24.3	Very low	28.4	Very low	141 Å²	141	126.5 Å²	126.5	74%	0.738	67%	0.67	S	S	*	*			trans	122.4	143.7	156.8	-66.4	170.7	0	0	0	116.3
28	P	28.5	Very low	28	Very low	111 Å²	111	122.4 Å²	122.4	72%	0.721	67%	0.668	S	S	*	*			cis	-127.3	158.9	-28.3	36.7	-20.2	0	0	0	114.9
29	F	21.6	Very low	27.4	Very low	207 Å²	207	122 Å²	122	91%	0.908	68%	0.678	S	S	*	*			trans	28.6	112.6	156.5	-78.9	-91	0	0	0	122.1
30	S	21	Very low	26.8	Very low	85 Å²	85	124.5 Å²	124.5	59%	0.594	70%	0.697	S	S	*	*			trans	-117.8	150.2	137.3	56.2	0	0	0	0	108.1	S32	S30-S32 PolarHBondContact O-N 3.01Å
31	P	23	Very low	26.4	Very low	119 Å²	119	120.4 Å²	120.4	77%	0.773	70%	0.702	S	S	*	*			trans	-60.1	134.4	-179.1	24.7	-31	0	0	0	110.2	E33	P31-E33 PolarHBondContact O-N 3.22Å
32	S	26.1	Very low	26.1	Very low	117 Å²	117	119.6 Å²	119.6	82%	0.818	70%	0.701	S	S	*	*			trans	-18.5	104.9	175.7	53.5	0	0	0	0	115.8	S30	S30-S32 PolarHBondContact O-N 3.01Å
33	E	22.3	Very low	26	Very low	149 Å²	149	122.4 Å²	122.4	70%	0.696	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-85	137.2	145.1	-80.6	-170.1	158.5	0	0	107.6	P31 S35	P31-E33 PolarHBondContact O-N 3.22Å; E33-S35 PolarHBondContact O-N 3.27Å; E33-S35 VanDerWaalsContact O-N 3.11Å
34	P	23.9	Very low	26.1	Very low	122 Å²	122	127.9 Å²	127.9	79%	0.792	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-59.5	121.2	175.2	24.2	-30.2	0	0	0	108.4	R36	P34-R36 PolarHBondContact O-N 2.86Å
35	S	24.9	Very low	26.3	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-50.8	127.7	172.8	47.9	0	0	0	0	108.5	E33	E33-S35 PolarHBondContact O-N 3.27Å; E33-S35 VanDerWaalsContact O-N 3.11Å
36	R	23.3	Very low	26.9	Very low	231 Å²	231	125.9 Å²	125.9	87%	0.872	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-49.2	135	169.1	-76.6	-179.5	177.6	-177.7	-1.1	107.5	P34 V38	P34-R36 PolarHBondContact O-N 2.86Å; R36-V38 PolarHBondContact O-N 3.38Å
37	P	22	Very low	27.1	Very low	123 Å²	123	128 Å²	128	80%	0.799	72%	0.716	S	S	*	*			trans	-55.2	115.1	-179	20.2	-29.4	0	0	0	108.3
38	V	24.6	Very low	27.9	Very low	125 Å²	125	125.8 Å²	125.8	76%	0.758	70%	0.699	S	S	*	*			trans	-52	128	158.3	178.6	0	0	0	0	104.4	R36 S40	R36-V38 PolarHBondContact O-N 3.38Å; V38-S40 PolarHBondContact O-N 3.35Å
39	P	22.9	Very low	28.7	Very low	114 Å²	114	124.6 Å²	124.6	74%	0.74	69%	0.689	S	S	*	*			trans	-49.9	120.6	177.5	-22.2	30.4	0	0	0	106.9	A41	P39-A41 PolarHBondContact O-N 3.04Å
40	S	24.9	Very low	30	Very low	74 Å²	74	118.3 Å²	118.3	52%	0.517	66%	0.659	S	S	.	*			trans	-40	133.9	176.7	51.8	0	0	0	0	108.2	V38 Q42	V38-S40 PolarHBondContact O-N 3.35Å; S40-Q42 PolarHBondContact O-N 2.98Å
41	A	27.7	Very low	31.7	Very low	97 Å²	97	122.4 Å²	122.4	80%	0.802	66%	0.661	S	S	*	*			trans	-64.5	64.8	166.3	0	0	0	0	0	109.2	P39	P39-A41 PolarHBondContact O-N 3.04Å
42	Q	26.6	Very low	33.6	Very low	152 Å²	152	122 Å²	122	71%	0.71	64%	0.644	S	S	*	*			trans	-58.2	135	148.9	-75.8	175.7	-19.4	0	0	105	S40 R44	S40-Q42 PolarHBondContact O-N 2.98Å; Q42-R44 PolarHBondContact O-N 3.28Å
43	L	31.9	Very low	35.2	Very low	172 Å²	172	121.5 Å²	121.5	90%	0.901	63%	0.625	S	S	*	*			trans	-41.7	108.4	164.8	-76	153.6	0	0	0	107
44	R	36.3	Very low	37.2	Very low	165 Å²	165	118.5 Å²	118.5	62%	0.623	61%	0.611	S	S	*	*			trans	-58.9	136.4	175.8	-62	-176.3	-144.3	-159.4	5.5	105.5	Q42 Q46 Y48 V49	Q42-R44 PolarHBondContact O-N 3.28Å; R44-Q46 PolarHBondContact O-N 3.36Å; R44-Y48 HydrophobicContact CB-CD1 4.18Å; R44-V49 HydrophobicContact CB-CG2 4.28Å
45	P	37.3	Very low	39.3	Very low	92 Å²	92	117 Å²	117	60%	0.597	59%	0.593	S	S	*	*			trans	-47.2	129.2	176.5	-26.8	33.3	0	0	0	109.1	D47 Y48	P45-D47 PolarHBondContact O-N 2.89Å; P45-Y48 WeakPolarHBondContact O-CB 3.49Å; P45-Y48 PolarHBondContact O-N 3.05Å
46	Q	42.2	Very low	41.5	Very low	97 Å²	97	115.3 Å²	115.3	45%	0.453	57%	0.57	S	S	.	*	H	α-helix	trans	-56.1	-30.1	-172.5	-66.1	-171.4	-1.6	0	0	111.4	R44 Y48 V49 R50 T293	R44-Q46 PolarHBondContact O-N 3.36Å; Q46-Y48 VanDerWaalsContact C-N 3.33Å; Q46-Y48 PolarHBondContact O-N 3.46Å; Q46-V49 WeakPolarHBondContact O-CB 3.44Å; Q46-V49 PolarHBondContact O-N 3.5Å; Q46-V49 VanDerWaalsContact O-N 3.11Å; Q46-R50 PolarHBondContact O-N 2.68Å; Q46-T293 PolarHBondContact OE1-OG1 2.75Å
47	D	33.7	Very low	43.8	Very low	87 Å²	87	105.2 Å²	105.2	47%	0.465	53%	0.533	S	S	.	.	H	α-helix	trans	-52.2	-41.6	168.4	-72.8	-41.2	0	0	0	114.8	P45 R50 R51	P45-D47 PolarHBondContact O-N 2.89Å; D47-R50 PolarHBondContact O-N 3.11Å; D47-R51 WeakPolarHBondContact O-CG 3.49Å; D47-R51 PolarHBondContact O-N 3.02Å
48	Y	41.2	Very low	46.1	Very low	94 Å²	94	105.4 Å²	105.4	37%	0.369	52%	0.523	S	S	.	.	H	α-helix	trans	-67.4	-40.8	177.5	175.7	-91.2	0	0	0	111.2	R44 P45 Q46 R50 R52	R44-Y48 HydrophobicContact CB-CD1 4.18Å; P45-Y48 WeakPolarHBondContact O-CB 3.49Å; P45-Y48 PolarHBondContact O-N 3.05Å; Q46-Y48 VanDerWaalsContact C-N 3.33Å; Q46-Y48 PolarHBondContact O-N 3.46Å; Y48-R50 VanDerWaalsContact C-N 3.32Å; Y48-R52 HydrophobicContact CD1-CG 4.43Å; Y48-R52 HydrophobicContact CE1-CG 4.02Å; Y48-R52 HydrophobicContact CE2-CG 4.49Å; Y48-R52 WeakPolarHBondContact O-CB 3.35Å; Y48-R52 VanDerWaalsContact O-CG 3.27Å; Y48-R52 WeakPolarHBondContact O-CG 3.45Å; Y48-R52 PolarHBondContact O-N 2.8Å; Y48-R52 VanDerWaalsContact O-N 3.14Å; Y48-R52 PolarHBondContact OH-NE 3.03Å; Y48-R52 VanDerWaalsContact OH-NE 3.09Å; Y48-R52 PolarHBondContact OH-NH2 3.22Å
49	V	45.4	Very low	48.4	Very low	85 Å²	85	104.1 Å²	104.1	52%	0.515	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-39.6	177.8	-178.8	0	0	0	0	110.3	R44 Q46 R53	R44-V49 HydrophobicContact CB-CG2 4.28Å; Q46-V49 WeakPolarHBondContact O-CB 3.44Å; Q46-V49 PolarHBondContact O-N 3.5Å; Q46-V49 VanDerWaalsContact O-N 3.11Å; V49-R53 WeakPolarHBondContact O-CB 3.4Å; V49-R53 PolarHBondContact O-N 3.04Å
50	R	49.8	Very low	50.9	Low	75 Å²	75	98.8 Å²	98.8	28%	0.283	48%	0.477	S	S	.	.	H	α-helix	trans	-70.1	-47.3	177.8	-175.6	-176.8	173.7	-174.7	7	113.4	Q46 D47 Y48 R52 R53 Q54 D295	Q46-R50 PolarHBondContact O-N 2.68Å; D47-R50 PolarHBondContact O-N 3.11Å; Y48-R50 VanDerWaalsContact C-N 3.32Å; R50-R52 VanDerWaalsContact C-N 3.26Å; R50-R52 PolarHBondContact O-N 2.9Å; R50-R53 CarbonylContact O-C 3.59Å; R50-R53 WeakPolarHBondContact O-CA 3.44Å; R50-R53 WeakPolarHBondContact O-CB 3.48Å; R50-R53 PolarHBondContact O-N 3.49Å; R50-Q54 PolarHBondContact O-N 2.78Å; R50-D295 PolarHBondContact NH1-O 3.45Å
51	R	54.9	Low	53.2	Low	171 Å²	171	98.9 Å²	98.9	65%	0.645	47%	0.472	S	S	*	.	H	α-helix	trans	-56	-45.6	175.1	-74.9	-175.2	-159	-174.5	5.8	110.4	D47 R53 Q54 E55	D47-R51 WeakPolarHBondContact O-CG 3.49Å; D47-R51 PolarHBondContact O-N 3.02Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R51-R53 PolarHBondContact O-N 2.83Å; R51-Q54 PolarHBondContact O-N 2.79Å; R51-E55 VanDerWaalsContact O-CB 3.24Å; R51-E55 WeakPolarHBondContact O-CB 3.39Å; R51-E55 WeakPolarHBondContact O-CG 2.92Å; R51-E55 PolarHBondContact O-N 3.48Å
52	R	62.9	Low	54.9	Low	110 Å²	110	98 Å²	98	42%	0.415	46%	0.459	S	S	.	.	H	α-helix	trans	-59.6	-38.7	173.5	-76.4	-77.6	-166.4	160.7	-1.8	112.8	Y48 R50 R56	Y48-R52 HydrophobicContact CD1-CG 4.43Å; Y48-R52 HydrophobicContact CE1-CG 4.02Å; Y48-R52 HydrophobicContact CE2-CG 4.49Å; Y48-R52 WeakPolarHBondContact O-CB 3.35Å; Y48-R52 VanDerWaalsContact O-CG 3.27Å; Y48-R52 WeakPolarHBondContact O-CG 3.45Å; Y48-R52 PolarHBondContact O-N 2.8Å; Y48-R52 VanDerWaalsContact O-N 3.14Å; Y48-R52 PolarHBondContact OH-NE 3.03Å; Y48-R52 VanDerWaalsContact OH-NE 3.09Å; Y48-R52 PolarHBondContact OH-NH2 3.22Å; R50-R52 VanDerWaalsContact C-N 3.26Å; R50-R52 PolarHBondContact O-N 2.9Å; R52-R56 WeakPolarHBondContact O-CB 3.31Å; R52-R56 WeakPolarHBondContact O-CD 3.48Å; R52-R56 WeakPolarHBondContact O-CG 3.47Å; R52-R56 PolarHBondContact O-N 3.36Å
53	R	61.4	Low	56.4	Low	108 Å²	108	92.6 Å²	92.6	41%	0.408	44%	0.441	S	S	.	.	H	α-helix	trans	-67.2	-48.4	177.2	-178	-179.7	173.4	170.2	3.3	111.5	V49 R50 R51 R56 E57 E695	V49-R53 WeakPolarHBondContact O-CB 3.4Å; V49-R53 PolarHBondContact O-N 3.04Å; R50-R53 CarbonylContact O-C 3.59Å; R50-R53 WeakPolarHBondContact O-CA 3.44Å; R50-R53 WeakPolarHBondContact O-CB 3.48Å; R50-R53 PolarHBondContact O-N 3.49Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R51-R53 PolarHBondContact O-N 2.83Å; R53-R56 WeakPolarHBondContact O-CB 3.49Å; R53-R56 PolarHBondContact O-N 3.45Å; R53-E57 IonicContact CZ-OE1 3.09Å; R53-E57 IonicContact NE-OE1 3.63Å; R53-E57 PolarHBondContact NE-OE1 3.36Å; R53-E57 VanDerWaalsContact NE-OE1 3.12Å; R53-E57 PolarHBondContact O-N 3.02Å; R53-E695 IonicContact NH2-OE1 3.59Å
54	Q	63.4	Low	57	Low	85 Å²	85	92 Å²	92	40%	0.397	43%	0.433	S	S	.	.	H	α-helix	trans	-64.3	-45.8	178	-74.1	179.6	-37.4	0	0	111.5	R50 R51 R56 E57 E58	R50-Q54 PolarHBondContact O-N 2.78Å; R51-Q54 PolarHBondContact O-N 2.79Å; Q54-R56 PolarHBondContact O-N 3.27Å; Q54-E57 PolarHBondContact O-N 2.89Å; Q54-E58 WeakPolarHBondContact O-CB 3.48Å; Q54-E58 WeakPolarHBondContact O-CG 3.3Å; Q54-E58 PolarHBondContact O-N 3.15Å
55	E	67.8	Low	57.4	Low	92 Å²	92	92.3 Å²	92.3	43%	0.43	44%	0.441	S	S	.	.	H	α-helix	trans	-54.2	-41.5	172.2	-77.1	169	-172.2	0	0	111.1	R51 N59	R51-E55 VanDerWaalsContact O-CB 3.24Å; R51-E55 WeakPolarHBondContact O-CB 3.39Å; R51-E55 WeakPolarHBondContact O-CG 2.92Å; R51-E55 PolarHBondContact O-N 3.48Å; E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 3.19Å; E55-N59 PolarHBondContact O-ND2 3.09Å
56	R	72.6	Confident	57.4	Low	73 Å²	73	93.7 Å²	93.7	28%	0.275	44%	0.444	S	S	.	.	H	α-helix	trans	-68.6	-44.2	177.6	-73.3	162.7	-176.5	-171.6	-8.2	112.8	R52 R53 Q54 N59 I60 Y656 G657	R52-R56 WeakPolarHBondContact O-CB 3.31Å; R52-R56 WeakPolarHBondContact O-CD 3.48Å; R52-R56 WeakPolarHBondContact O-CG 3.47Å; R52-R56 PolarHBondContact O-N 3.36Å; R53-R56 WeakPolarHBondContact O-CB 3.49Å; R53-R56 PolarHBondContact O-N 3.45Å; Q54-R56 PolarHBondContact O-N 3.27Å; R56-N59 PolarHBondContact O-N 3.32Å; R56-I60 WeakPolarHBondContact O-CD1 3.16Å; R56-I60 VanDerWaalsContact O-CG1 3.25Å; R56-I60 WeakPolarHBondContact O-CG1 3.42Å; R56-I60 PolarHBondContact O-N 3.34Å; R56-Y656 VanDerWaalsContact CD-O 3.27Å; R56-Y656 WeakPolarHBondContact CD-O 3.46Å; R56-Y656 PolarHBondContact NE-O 2.85Å; R56-G657 PolarHBondContact NH1-O 2.93Å
57	E	69.9	Low	57	Low	19 Å²	19	99.1 Å²	99.1	9%	0.089	47%	0.466	C	S	.	.	H	α-helix	trans	-61.5	-47	175.9	-76.4	174.1	-147.2	0	0	111	R53 Q54 N59 I60 L61 K694	R53-E57 IonicContact CZ-OE1 3.09Å; R53-E57 IonicContact NE-OE1 3.63Å; R53-E57 PolarHBondContact NE-OE1 3.36Å; R53-E57 VanDerWaalsContact NE-OE1 3.12Å; R53-E57 PolarHBondContact O-N 3.02Å; Q54-E57 PolarHBondContact O-N 2.89Å; E57-N59 VanDerWaalsContact C-N 3.35Å; E57-N59 PolarHBondContact O-N 2.8Å; E57-I60 PolarHBondContact O-N 2.69Å; E57-L61 WeakPolarHBondContact O-CB 3.27Å; E57-L61 WeakPolarHBondContact O-CG 3.46Å; E57-L61 PolarHBondContact O-N 3.34Å; E57-K694 IonicContact OE2-NZ 3.3Å; E57-K694 PolarHBondContact OE2-NZ 3.39Å
58	E	71.8	Confident	57	Low	127 Å²	127	100.9 Å²	100.9	59%	0.593	48%	0.479	S	S	*	.	H	α-helix	trans	-62.2	-41.9	175.4	-74.5	178	-176.3	0	0	111.1	Q54 I60 L61 S62	Q54-E58 WeakPolarHBondContact O-CB 3.48Å; Q54-E58 WeakPolarHBondContact O-CG 3.3Å; Q54-E58 PolarHBondContact O-N 3.15Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.27Å; E58-L61 CarbonylContact O-C 3.41Å; E58-L61 PolarHBondContact O-N 3.28Å; E58-S62 WeakPolarHBondContact O-CA 3.27Å; E58-S62 WeakPolarHBondContact O-CB 3.17Å; E58-S62 PolarHBondContact O-N 3.32Å; E58-S62 PolarHBondContact O-OG 2.85Å
59	N	72.8	Confident	56.6	Low	97 Å²	97	98.7 Å²	98.7	52%	0.519	49%	0.486	S	S	.	.	H	α-helix	trans	-61.9	-37.3	175.3	-73.9	-27	0	0	0	112.6	E55 R56 E57 A63	E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 3.19Å; E55-N59 PolarHBondContact O-ND2 3.09Å; R56-N59 PolarHBondContact O-N 3.32Å; E57-N59 VanDerWaalsContact C-N 3.35Å; E57-N59 PolarHBondContact O-N 2.8Å; N59-A63 WeakPolarHBondContact O-CB 3.34Å; N59-A63 PolarHBondContact O-N 3.23Å
60	I	75.1	Confident	56.2	Low	3 Å²	3	99.5 Å²	99.5	2%	0.015	49%	0.487	C	S	.	.	H	α-helix	trans	-68.1	-43.2	175.4	-66.3	160.3	0	0	0	110.5	R56 E57 E58 Y656 V698 K701 A702	R56-I60 WeakPolarHBondContact O-CD1 3.16Å; R56-I60 VanDerWaalsContact O-CG1 3.25Å; R56-I60 WeakPolarHBondContact O-CG1 3.42Å; R56-I60 PolarHBondContact O-N 3.34Å; E57-I60 PolarHBondContact O-N 2.69Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.27Å; I60-Y656 HydrophobicContact CD1-CD1 4.14Å; I60-Y656 HydrophobicContact CD1-CD2 3.75Å; I60-Y656 HydrophobicContact CD1-CE2 4.22Å; I60-Y656 HydrophobicContact CD1-CG 3.72Å; I60-Y656 HydrophobicContact CG1-CD1 3.52Å; I60-Y656 HydrophobicContact CG1-CD2 3.85Å; I60-Y656 HydrophobicContact CG1-CE1 3.63Å; I60-Y656 HydrophobicContact CG1-CE2 3.98Å; I60-Y656 HydrophobicContact CG1-CG 3.63Å; I60-V698 HydrophobicContact CD1-CG1 4.2Å; I60-V698 HydrophobicContact CG2-CG1 4Å; I60-K701 VanDerWaalsContact O-CE 3.31Å; I60-K701 WeakPolarHBondContact O-CE 3.5Å; I60-A702 HydrophobicContact CG2-CB 4.02Å
61	L	71.8	Confident	55.7	Low	76 Å²	76	104.5 Å²	104.5	40%	0.398	51%	0.514	S	S	.	.	H	α-helix	trans	-76.7	-27.2	-178.5	-68.4	174.8	0	0	0	113	E57 E58 V698 K701	E57-L61 WeakPolarHBondContact O-CB 3.27Å; E57-L61 WeakPolarHBondContact O-CG 3.46Å; E57-L61 PolarHBondContact O-N 3.34Å; E58-L61 CarbonylContact O-C 3.41Å; E58-L61 PolarHBondContact O-N 3.28Å; L61-V698 HydrophobicContact CD1-CG2 4.11Å; L61-V698 HydrophobicContact CD2-CG2 3.94Å; L61-V698 HydrophobicContact CG-CG2 4.13Å; L61-K701 HydrophobicContact CD2-CD 4.34Å; L61-K701 PolarHBondContact O-NZ 2.72Å
62	S	64.4	Low	54.9	Low	77 Å²	77	101.8 Å²	101.8	54%	0.538	52%	0.516	S	S	.	.	H	α-helix	trans	-95	-17.4	-179.4	74.6	0	0	0	0	112.8	E58 Q64	E58-S62 WeakPolarHBondContact O-CA 3.27Å; E58-S62 WeakPolarHBondContact O-CB 3.17Å; E58-S62 PolarHBondContact O-N 3.32Å; E58-S62 PolarHBondContact O-OG 2.85Å; S62-Q64 PolarHBondContact O-N 3.44Å
63	A	57.7	Low	54	Low	39 Å²	39	101.1 Å²	101.1	32%	0.322	52%	0.521	S	S	.	.			trans	-50.5	104.2	170.8	0	0	0	0	0	109	N59	N59-A63 WeakPolarHBondContact O-CB 3.34Å; N59-A63 PolarHBondContact O-N 3.23Å
64	Q	45.5	Very low	53	Low	161 Å²	161	103.5 Å²	103.5	75%	0.752	54%	0.541	S	S	*	.			trans	-65.4	160.7	164.1	-68.4	-172.7	-8	0	0	107.1	S62 D66	S62-Q64 PolarHBondContact O-N 3.44Å; Q64-D66 PolarHBondContact O-N 2.92Å
65	H	44.6	Very low	52.1	Low	170 Å²	170	104.7 Å²	104.7	79%	0.787	54%	0.542	S	S	*	.			trans	-63.2	78.2	167.2	-105.8	-54.2	0	0	0	108.1	K67	H65-K67 VanDerWaalsContact C-N 3.31Å; H65-K67 PolarHBondContact O-N 3.46Å
66	D	36.5	Very low	51.2	Low	122 Å²	122	104.4 Å²	104.4	65%	0.652	55%	0.55	S	S	*	*			trans	-64.4	102.5	170.7	-87.7	-22	0	0	0	105.3	Q64 V68	Q64-D66 PolarHBondContact O-N 2.92Å; D66-V68 HydrophobicContact CB-CG2 4.42Å; D66-V68 PolarHBondContact O-N 2.92Å
67	K	33.9	Very low	50.3	Low	211 Å²	211	109.1 Å²	109.1	92%	0.917	58%	0.575	S	S	*	*			trans	-63.1	23.3	162.7	-75.3	-176.2	175.5	178	0	111.6	H65 G69	H65-K67 VanDerWaalsContact C-N 3.31Å; H65-K67 PolarHBondContact O-N 3.46Å; K67-G69 PolarHBondContact O-N 3.01Å; K67-G69 VanDerWaalsContact O-N 3.08Å
68	V	33.9	Very low	49.9	Very low	123 Å²	123	111 Å²	111	75%	0.745	59%	0.586	S	S	*	*			trans	-82.8	69.9	159.7	-170.2	0	0	0	0	105.9	D66 D70	D66-V68 HydrophobicContact CB-CG2 4.42Å; D66-V68 PolarHBondContact O-N 2.92Å; V68-D70 PolarHBondContact O-N 3.28Å
69	G	33.5	Very low	49.2	Very low	49 Å²	49	110 Å²	110	51%	0.505	59%	0.59	S	S	.	*			trans	-54.1	128.2	173.1	0	0	0	0	0	108.7	K67 Q71	K67-G69 PolarHBondContact O-N 3.01Å; K67-G69 VanDerWaalsContact O-N 3.08Å; G69-Q71 PolarHBondContact O-N 3.35Å
70	D	37	Very low	49.1	Very low	102 Å²	102	113 Å²	113	55%	0.545	60%	0.599	S	S	.	*	S	Bend	trans	-52.1	105	139.2	-163.9	18.9	0	0	0	103	K18 V68 T72	K18-D70 IonicContact NZ-OD1 3.98Å; K18-D70 PolarHBondContact NZ-OD1 3.21Å; V68-D70 PolarHBondContact O-N 3.28Å; D70-T72 WeakPolarHBondContact O-CA 3.42Å; D70-T72 PolarHBondContact O-N 2.87Å
71	Q	37.9	Very low	49.5	Very low	180 Å²	180	115.1 Å²	115.1	84%	0.841	61%	0.611	S	S	*	*			trans	-36.9	109.7	-170.1	-87.3	179.6	-20.2	0	0	107.3	G69 L73	G69-Q71 PolarHBondContact O-N 3.35Å; Q71-L73 PolarHBondContact O-N 3.08Å
72	T	39	Very low	50	Low	114 Å²	114	114.5 Å²	114.5	70%	0.699	62%	0.617	S	S	*	*			trans	-35.2	114.3	-169.1	32.8	0	0	0	0	108.1	D70 N74	D70-T72 WeakPolarHBondContact O-CA 3.42Å; D70-T72 PolarHBondContact O-N 2.87Å; T72-N74 PolarHBondContact O-N 3.49Å
73	L	43.5	Very low	51.1	Low	96 Å²	96	112.1 Å²	112.1	50%	0.503	60%	0.597	S	S	.	*			trans	-53.2	97.6	163.5	-94.1	156.5	0	0	0	104	Q71 W75 I741	Q71-L73 PolarHBondContact O-N 3.08Å; L73-W75 PolarHBondContact O-N 3Å; L73-I741 HydrophobicContact CD1-CD1 4.19Å
74	N	39.3	Very low	52.3	Low	157 Å²	157	116.3 Å²	116.3	84%	0.84	62%	0.619	S	S	*	*			trans	-73.8	76.3	-175.8	-149.1	4.9	0	0	0	104.6	T72 S76	T72-N74 PolarHBondContact O-N 3.49Å; N74-S76 PolarHBondContact O-N 2.9Å
75	W	44.8	Very low	54.2	Low	110 Å²	110	110.2 Å²	110.2	42%	0.417	60%	0.596	S	S	.	*			trans	-82.3	96.6	-175.7	-169.1	85.8	0	0	0	106.2	L73 E77 P712	L73-W75 PolarHBondContact O-N 3Å; W75-E77 HydrophobicContact CE3-CG 4.49Å; W75-E77 HydrophobicContact CH2-CG 4.25Å; W75-E77 HydrophobicContact CZ3-CB 4.44Å; W75-E77 HydrophobicContact CZ3-CG 3.71Å; W75-P712 HydrophobicContact CD2-CB 4.35Å; W75-P712 HydrophobicContact CZ2-CB 4.09Å
76	S	49.6	Very low	56.1	Low	86 Å²	86	111.6 Å²	111.6	60%	0.601	60%	0.602	S	S	*	*			trans	-71.7	133.8	163	56.5	0	0	0	0	107.9	N74 I78	N74-S76 PolarHBondContact O-N 2.9Å; S76-I78 PolarHBondContact O-N 3.01Å
77	E	54.2	Low	58.5	Low	172 Å²	172	107.2 Å²	107.2	80%	0.804	58%	0.58	S	S	*	*			trans	-50.9	111.9	167.5	-75	-174.8	158.4	0	0	109.7	W75	W75-E77 HydrophobicContact CE3-CG 4.49Å; W75-E77 HydrophobicContact CH2-CG 4.25Å; W75-E77 HydrophobicContact CZ3-CB 4.44Å; W75-E77 HydrophobicContact CZ3-CG 3.71Å
78	I	60.8	Low	61.1	Low	60 Å²	60	101.2 Å²	101.2	31%	0.308	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-78.4	134.9	173.6	-62.7	168.4	0	0	0	106.3	S76 K80	S76-I78 PolarHBondContact O-N 3.01Å; I78-K80 PolarHBondContact O-N 2.81Å; I78-K80 VanDerWaalsContact O-N 3.08Å
79	P	58.2	Low	63.7	Low	106 Å²	106	99 Å²	99	69%	0.688	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-54	119.9	-179.8	17.1	-29.2	0	0	0	110.7	V81	P79-V81 PolarHBondContact O-N 3.08Å
80	K	70.6	Confident	66.4	Low	159 Å²	159	97 Å²	97	69%	0.691	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-70.5	119.8	175.5	-66.1	-174.4	179.6	-174.9	0	108.2	I78	I78-K80 PolarHBondContact O-N 2.81Å; I78-K80 VanDerWaalsContact O-N 3.08Å
81	V	83.1	Confident	69	Low	47 Å²	47	94.2 Å²	94.2	29%	0.285	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-102.1	117.4	172.2	-177.7	0	0	0	0	106.3	P79 P100 S104 Y107	P79-V81 PolarHBondContact O-N 3.08Å; V81-P100 HydrophobicContact CG1-CB 4.13Å; V81-P100 HydrophobicContact CG1-CG 4.07Å; V81-S104 PolarHBondContact O-OG 3.03Å; V81-Y107 HydrophobicContact CG1-CD2 4.04Å; V81-Y107 WeakPolarHBondContact O-CB 3.3Å
82	A	81.4	Confident	71.6	Confident	63 Å²	63	87.8 Å²	87.8	52%	0.521	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-93.3	149.9	174.7	0	0	0	0	0	110.2	T84	A82-T84 PolarHBondContact O-N 3.06Å
83	Y	87.9	Confident	74.2	Confident	27 Å²	27	82.5 Å²	82.5	11%	0.106	46%	0.46	C	S	.	.			trans	-77.7	111.7	167.7	-178.2	-96.6	0	0	0	108.5	A85 T87 K93 D94 L97 Y107	Y83-A85 HydrophobicContact CE1-CB 3.89Å; Y83-A85 WeakPolarHBondContact CE1-O 3.37Å; Y83-A85 HydrophobicContact CE2-CB 4.3Å; Y83-T87 WeakPolarHBondContact CE1-OG1 3.36Å; Y83-T87 PolarHBondContact OH-OG1 3.32Å; Y83-K93 HydrophobicContact CD2-CD 4.44Å; Y83-K93 HydrophobicContact CD2-CG 4.37Å; Y83-K93 HydrophobicContact CE1-CG 4.29Å; Y83-K93 HydrophobicContact CE2-CD 4.1Å; Y83-K93 HydrophobicContact CE2-CG 3.6Å; Y83-D94 PolarHBondContact OH-N 2.93Å; Y83-D94 VanDerWaalsContact OH-N 3.12Å; Y83-L97 HydrophobicContact CD2-CD1 4.25Å; Y83-L97 HydrophobicContact CE2-CD1 3.53Å; Y83-Y107 HydrophobicContact CD2-CD2 4.3Å; Y83-Y107 AromaticContact CD2-CE2 3.81Å; Y83-Y107 HydrophobicContact CD2-CE2 3.81Å
84	T	83.8	Confident	76.5	Confident	128 Å²	128	81.1 Å²	81.1	79%	0.785	45%	0.453	S	S	*	.			trans	-104.2	-4.1	-171.2	53.1	0	0	0	0	114.3	A82	A82-T84 PolarHBondContact O-N 3.06Å
85	A	85.6	Confident	78.9	Confident	33 Å²	33	74.9 Å²	74.9	27%	0.273	42%	0.42	S	S	.	.	S	Bend	trans	-70.8	140.9	178	0	0	0	0	0	111	Y83 T87 L97	Y83-A85 HydrophobicContact CE1-CB 3.89Å; Y83-A85 WeakPolarHBondContact CE1-O 3.37Å; Y83-A85 HydrophobicContact CE2-CB 4.3Å; A85-T87 VanDerWaalsContact C-N 3.28Å; A85-T87 PolarHBondContact O-N 2.92Å; A85-L97 HydrophobicContact CB-CD1 3.57Å
86	Q	82.6	Confident	80.8	Confident	198 Å²	198	74.4 Å²	74.4	93%	0.925	43%	0.434	S	S	*	.			trans	-78	78.3	176.8	-66.4	-173.3	-0.9	0	0	109.9	P88	Q86-P88 WeakPolarHBondContact O-CD 3.35Å
87	T	87.5	Confident	82.6	Confident	31 Å²	31	72.6 Å²	72.6	19%	0.19	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-87.9	118.7	173.7	-60.8	0	0	0	0	109.2	Y83 A85 T91 C111	Y83-T87 WeakPolarHBondContact CE1-OG1 3.36Å; Y83-T87 PolarHBondContact OH-OG1 3.32Å; A85-T87 VanDerWaalsContact C-N 3.28Å; A85-T87 PolarHBondContact O-N 2.92Å; T87-T91 WeakPolarHBondContact CG2-OG1 3.38Å; T87-C111 HydrophobicContact CG2-CB 4.41Å
88	P	89.1	Confident	84.3	Confident	85 Å²	85	70 Å²	70	55%	0.552	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-55.4	145	176.8	-24.7	32.8	0	0	0	112.2	Q86 G90 T91	Q86-P88 WeakPolarHBondContact O-CD 3.35Å; P88-G90 PolarHBondContact O-N 2.94Å; P88-T91 HydrophobicContact CB-CG2 3.91Å; P88-T91 WeakPolarHBondContact CD-OG1 3.42Å; P88-T91 HydrophobicContact CG-CG2 4.42Å; P88-T91 WeakPolarHBondContact O-CB 3.39Å; P88-T91 PolarHBondContact O-N 2.99Å; P88-T91 PolarHBondContact O-OG1 3.28Å
89	A	87.8	Confident	85.7	Confident	77 Å²	77	69 Å²	69	64%	0.636	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	130.9	-177.9	0	0	0	0	0	111.9	T91	A89-T91 PolarHBondContact O-N 3.48Å
90	G	89.9	Confident	87.4	Confident	5 Å²	5	64.8 Å²	64.8	5%	0.052	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	7.8	-178.1	0	0	0	0	0	116.1	P88 Q114 W115 K118	P88-G90 PolarHBondContact O-N 2.94Å; G90-Q114 WeakPolarHBondContact CA-O 3.32Å; G90-W115 WeakPolarHBondContact O-CA 3.39Å; G90-K118 VanDerWaalsContact O-CD 3.24Å; G90-K118 WeakPolarHBondContact O-CD 3.45Å
91	T	92.6	Very high	88.3	Confident	44 Å²	44	61.5 Å²	61.5	27%	0.27	38%	0.379	S	S	.	.	S	Bend	trans	-88.2	153.5	168.6	61.9	0	0	0	0	110.9	T87 P88 A89 K93	T87-T91 WeakPolarHBondContact CG2-OG1 3.38Å; P88-T91 HydrophobicContact CB-CG2 3.91Å; P88-T91 WeakPolarHBondContact CD-OG1 3.42Å; P88-T91 HydrophobicContact CG-CG2 4.42Å; P88-T91 WeakPolarHBondContact O-CB 3.39Å; P88-T91 PolarHBondContact O-N 2.99Å; P88-T91 PolarHBondContact O-OG1 3.28Å; A89-T91 PolarHBondContact O-N 3.48Å; T91-K93 PolarHBondContact O-N 3.3Å
92	K	92.5	Very high	88.7	Confident	45 Å²	45	60.5 Å²	60.5	20%	0.196	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-58	134.9	177.6	-171.3	-176.9	173.5	-178.9	0	110.1	W112 W115 Q875 Q887	K92-W112 HydrophobicContact CG-CZ3 4.03Å; K92-W115 HydrophobicContact CB-CD2 4.08Å; K92-W115 HydrophobicContact CB-CG 4.21Å; K92-W115 HydrophobicContact CB-CZ2 4.21Å; K92-W115 HydrophobicContact CD-CH2 4.25Å; K92-W115 HydrophobicContact CD-CZ2 3.97Å; K92-W115 HydrophobicContact CG-CD2 4.16Å; K92-W115 HydrophobicContact CG-CE3 4.47Å; K92-W115 HydrophobicContact CG-CH2 4.28Å; K92-W115 HydrophobicContact CG-CZ2 3.98Å; K92-Q875 VanDerWaalsContact CE-OE1 3.29Å; K92-Q887 VanDerWaalsContact NZ-CB 3.31Å
93	K	93	Very high	89.3	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.017	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-61.5	141.7	176.1	-166.7	-174.2	-173.6	177.6	0	111.9	Y83 T91 T95 Y107 V108 C111 W112 E872	Y83-K93 HydrophobicContact CD2-CD 4.44Å; Y83-K93 HydrophobicContact CD2-CG 4.37Å; Y83-K93 HydrophobicContact CE1-CG 4.29Å; Y83-K93 HydrophobicContact CE2-CD 4.1Å; Y83-K93 HydrophobicContact CE2-CG 3.6Å; T91-K93 PolarHBondContact O-N 3.3Å; K93-T95 PolarHBondContact O-N 2.71Å; K93-Y107 WeakPolarHBondContact CE-O 3.36Å; K93-Y107 PolarHBondContact NZ-O 3.46Å; K93-V108 PolarHBondContact NZ-O 3.14Å; K93-C111 HydrophobicContact CB-CB 4.04Å; K93-C111 HydrophobicContact CG-CB 4.28Å; K93-W112 HydrophobicContact CB-CD2 4.36Å; K93-W112 HydrophobicContact CB-CE3 4.32Å; K93-W112 HydrophobicContact CB-CH2 3.73Å; K93-W112 HydrophobicContact CB-CZ2 3.79Å; K93-W112 HydrophobicContact CB-CZ3 4.02Å; K93-W112 HydrophobicContact CD-CD2 4.44Å; K93-W112 HydrophobicContact CD-CH2 4.42Å; K93-W112 HydrophobicContact CD-CZ2 3.65Å; K93-W112 HydrophobicContact CG-CZ2 4.34Å; K93-E872 WeakPolarHBondContact CD-OE2 3.31Å; K93-E872 WeakPolarHBondContact CE-OE2 3.34Å; K93-E872 IonicContact NZ-OE2 3.18Å; K93-E872 PolarHBondContact NZ-OE2 3.32Å
94	D	91.2	Very high	89.5	Confident	66 Å²	66	56.7 Å²	56.7	35%	0.353	35%	0.348	S	S	.	.			trans	-80.3	102.9	173.6	-177.8	7.5	0	0	0	110.8	Y83 S96 L97	Y83-D94 PolarHBondContact OH-N 2.93Å; Y83-D94 VanDerWaalsContact OH-N 3.12Å; D94-S96 VanDerWaalsContact C-N 3.35Å; D94-S96 WeakPolarHBondContact OD1-CA 3.19Å; D94-S96 VanDerWaalsContact OD1-CB 3.23Å; D94-S96 WeakPolarHBondContact OD1-CB 3.16Å; D94-S96 PolarHBondContact OD1-N 2.95Å; D94-S96 PolarHBondContact OD1-OG 3.43Å; D94-S96 PolarHBondContact OD2-OG 3.37Å; D94-L97 HydrophobicContact CB-CG 4.35Å
95	T	90.9	Very high	90	Very high	26 Å²	26	50.7 Å²	50.7	16%	0.16	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.7	176.7	56.9	0	0	0	0	113.4	K93 L97 W112 Q875 R876	K93-T95 PolarHBondContact O-N 2.71Å; T95-L97 VanDerWaalsContact C-N 3.31Å; T95-W112 HydrophobicContact CG2-CH2 3.79Å; T95-W112 HydrophobicContact CG2-CZ2 3.71Å; T95-Q875 HydrophobicContact CG2-CB 3.97Å; T95-R876 HydrophobicContact CG2-CG 4.41Å; T95-R876 PolarHBondContact O-NH1 3.44Å
96	S	85.1	Confident	90.3	Very high	101 Å²	101	51.7 Å²	51.7	71%	0.706	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-16.5	172.6	76.2	0	0	0	0	112.7	D94	D94-S96 VanDerWaalsContact C-N 3.35Å; D94-S96 WeakPolarHBondContact OD1-CA 3.19Å; D94-S96 VanDerWaalsContact OD1-CB 3.23Å; D94-S96 WeakPolarHBondContact OD1-CB 3.16Å; D94-S96 PolarHBondContact OD1-N 2.95Å; D94-S96 PolarHBondContact OD1-OG 3.43Å; D94-S96 PolarHBondContact OD2-OG 3.37Å
97	L	87.3	Confident	90.8	Very high	48 Å²	48	42.8 Å²	42.8	25%	0.251	27%	0.27	S	S	.	.	S	Bend	trans	-57.2	151.7	177.1	-60.9	176.9	0	0	0	112.5	Y83 A85 D94 T95 F99 R876	Y83-L97 HydrophobicContact CD2-CD1 4.25Å; Y83-L97 HydrophobicContact CE2-CD1 3.53Å; A85-L97 HydrophobicContact CB-CD1 3.57Å; D94-L97 HydrophobicContact CB-CG 4.35Å; T95-L97 VanDerWaalsContact C-N 3.31Å; L97-F99 PolarHBondContact O-N 3.48Å; L97-F99 VanDerWaalsContact O-N 3.14Å; L97-R876 PolarHBondContact O-NH1 3.33Å
98	P	88.8	Confident	91.2	Very high	117 Å²	117	41.3 Å²	41.3	76%	0.76	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-49.9	121.4	180	-28.1	34.6	0	0	0	111.8	P100	P98-P100 WeakPolarHBondContact O-CD 3.35Å
99	F	91.5	Very high	91.5	Very high	39 Å²	39	38.5 Å²	38.5	17%	0.171	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-65.8	116.5	-175.5	-166.8	-176.3	0	0	0	109.8	L97 W751 L754 R755 L758 L873	L97-F99 PolarHBondContact O-N 3.48Å; L97-F99 VanDerWaalsContact O-N 3.14Å; F99-W751 AromaticContact CD2-CE2 3.75Å; F99-W751 AromaticContact CD2-CH2 3.87Å; F99-W751 HydrophobicContact CD2-CH2 3.87Å; F99-W751 AromaticContact CD2-CZ2 3.41Å; F99-W751 HydrophobicContact CD2-CZ2 3.41Å; F99-W751 VanDerWaalsContact CD2-CZ2 3.41Å; F99-W751 AromaticContact CE2-CD2 3.57Å; F99-W751 HydrophobicContact CE2-CD2 3.57Å; F99-W751 AromaticContact CE2-CE2 3.19Å; F99-W751 AromaticContact CE2-CE3 3.83Å; F99-W751 HydrophobicContact CE2-CE3 3.83Å; F99-W751 HydrophobicContact CE2-CG 4.34Å; F99-W751 AromaticContact CE2-CH2 3.45Å; F99-W751 HydrophobicContact CE2-CH2 3.45Å; F99-W751 VanDerWaalsContact CE2-CH2 3.45Å; F99-W751 AromaticContact CE2-CZ2 3.17Å; F99-W751 HydrophobicContact CE2-CZ2 3.17Å; F99-W751 AromaticContact CE2-CZ3 3.75Å; F99-W751 HydrophobicContact CE2-CZ3 3.75Å; F99-W751 AromaticContact CE2-NE1 3.71Å; F99-W751 HydrophobicContact CZ-CD2 4.06Å; F99-W751 HydrophobicContact CZ-CE3 4.38Å; F99-W751 HydrophobicContact CZ-CG 4.46Å; F99-W751 HydrophobicContact CZ-CZ2 4.35Å; F99-L754 HydrophobicContact CE1-CB 4.25Å; F99-L754 HydrophobicContact CE1-CD2 3.86Å; F99-L754 HydrophobicContact CE1-CG 3.91Å; F99-L754 HydrophobicContact CZ-CB 4.21Å; F99-L754 HydrophobicContact CZ-CD2 3.75Å; F99-L754 HydrophobicContact CZ-CG 4.12Å; F99-R755 HydrophobicContact CD1-CB 4.43Å; F99-R755 HydrophobicContact CD1-CG 3.52Å; F99-R755 HydrophobicContact CE1-CB 4.06Å; F99-R755 HydrophobicContact CE1-CG 3.22Å; F99-R755 HydrophobicContact CE2-CG 4.29Å; F99-R755 HydrophobicContact CG-CG 4.16Å; F99-R755 HydrophobicContact CZ-CG 3.63Å; F99-R755 PolarHBondContact O-NH1 3.23Å; F99-L758 HydrophobicContact CD1-CD1 3.78Å; F99-L758 HydrophobicContact CE1-CD1 3.75Å; F99-L873 HydrophobicContact CE2-CD2 4.44Å; F99-L873 HydrophobicContact CZ-CD2 3.98Å
100	P	92.2	Very high	91.7	Very high	18 Å²	18	36.9 Å²	36.9	12%	0.117	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-58.8	151.5	-177.8	-26.2	31.7	0	0	0	114.1	V81 P98 A102 Y107 W751 R755	V81-P100 HydrophobicContact CG1-CB 4.13Å; V81-P100 HydrophobicContact CG1-CG 4.07Å; P98-P100 WeakPolarHBondContact O-CD 3.35Å; P100-A102 VanDerWaalsContact C-N 3.28Å; P100-A102 PolarHBondContact O-N 3.01Å; P100-Y107 HydrophobicContact CG-CD1 4.28Å; P100-Y107 HydrophobicContact CG-CD2 4.08Å; P100-Y107 HydrophobicContact CG-CE1 3.96Å; P100-Y107 HydrophobicContact CG-CE2 3.73Å; P100-Y107 HydrophobicContact CG-CG 4.34Å; P100-W751 HydrophobicContact CB-CZ2 3.85Å; P100-W751 HydrophobicContact CG-CH2 4.47Å; P100-W751 HydrophobicContact CG-CZ2 3.94Å; P100-W751 PolarHBondContact O-NE1 2.66Å; P100-R755 PolarHBondContact O-NH1 3Å
101	S	90.9	Very high	91.9	Very high	90 Å²	90	38 Å²	38	63%	0.629	23%	0.231	S	C	*	.	S	Bend	trans	-70.9	-21.9	-176.4	60.7	0	0	0	0	113.8	Q752	S101-Q752 PolarHBondContact O-NE2 3.43Å
102	A	91	Very high	92.1	Very high	26 Å²	26	35.9 Å²	35.9	22%	0.215	22%	0.218	C	C	.	.	S	Bend	trans	-138.8	154.2	178.2	0	0	0	0	0	110.9	P100	P100-A102 VanDerWaalsContact C-N 3.28Å; P100-A102 PolarHBondContact O-N 3.01Å
103	Y	93.6	Very high	92.3	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	21%	0.212	C	C	.	.			trans	-68.4	135.9	173.6	167.3	-106.1	0	0	0	111.4	P105 V108 R744 C747 N748 W751 I869	Y103-P105 HydrophobicContact CE1-CG 3.81Å; Y103-V108 HydrophobicContact CD2-CG2 3.72Å; Y103-V108 HydrophobicContact CE2-CB 4.06Å; Y103-V108 HydrophobicContact CE2-CG1 4.42Å; Y103-V108 HydrophobicContact CE2-CG2 3.63Å; Y103-R744 HydrophobicContact CE1-CG 4.3Å; Y103-C747 HydrophobicContact CD1-CB 3.68Å; Y103-C747 HydrophobicContact CD2-CB 4.27Å; Y103-C747 HydrophobicContact CE1-CB 3.39Å; Y103-C747 HydrophobicContact CE2-CB 4.03Å; Y103-C747 HydrophobicContact CG-CB 4.11Å; Y103-N748 HydrophobicContact CD1-CB 4.46Å; Y103-N748 PolarHBondContact N-OD1 2.97Å; Y103-W751 HydrophobicContact CD2-CE3 4.12Å; Y103-I869 HydrophobicContact CD2-CD1 3.94Å; Y103-I869 HydrophobicContact CE2-CD1 3.85Å; Y103-I869 HydrophobicContact CE2-CG1 4.38Å
104	S	93.6	Very high	92.4	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.042	24%	0.235	C	C	.	.			trans	-134.8	125.9	169.2	174.4	0	0	0	0	109.1	V81 D106 Y107 V108	V81-S104 PolarHBondContact O-OG 3.03Å; S104-D106 PolarHBondContact O-N 2.85Å; S104-Y107 PolarHBondContact O-N 2.66Å; S104-V108 WeakPolarHBondContact O-CG2 3.29Å; S104-V108 PolarHBondContact O-N 2.81Å
105	P	93.4	Very high	92.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-54.3	-49.3	177.1	-28.1	35.4	0	0	0	113.2	Y103 Y107 V108 E109 Q713	Y103-P105 HydrophobicContact CE1-CG 3.81Å; P105-Y107 VanDerWaalsContact C-N 3.31Å; P105-Y107 PolarHBondContact O-N 3.15Å; P105-V108 PolarHBondContact O-N 3.41Å; P105-E109 WeakPolarHBondContact O-CB 3.41Å; P105-E109 WeakPolarHBondContact O-CG 3.42Å; P105-E109 PolarHBondContact O-N 3.08Å; P105-Q713 HydrophobicContact CG-CG 4.41Å
106	D	91.4	Very high	92.9	Very high	54 Å²	54	35.7 Å²	35.7	29%	0.289	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-41.6	-179.2	-63.9	-25.5	0	0	0	111.9	S104 S110 H675 Q713	S104-D106 PolarHBondContact O-N 2.85Å; D106-S110 WeakPolarHBondContact O-CB 3.26Å; D106-S110 PolarHBondContact O-N 3.28Å; D106-S110 PolarHBondContact O-OG 2.93Å; D106-H675 IonicContact OD1-ND1 2.85Å; D106-Q713 PolarHBondContact OD1-NE2 3.19Å; D106-Q713 PolarHBondContact OD2-NE2 3.33Å
107	Y	94.1	Very high	93.4	Very high	11 Å²	11	33.9 Å²	33.9	4%	0.043	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-50.1	173.8	-177.3	-87.9	0	0	0	110.6	V81 Y83 K93 P100 S104 P105 W751 R876	V81-Y107 HydrophobicContact CG1-CD2 4.04Å; V81-Y107 WeakPolarHBondContact O-CB 3.3Å; Y83-Y107 HydrophobicContact CD2-CD2 4.3Å; Y83-Y107 AromaticContact CD2-CE2 3.81Å; Y83-Y107 HydrophobicContact CD2-CE2 3.81Å; K93-Y107 WeakPolarHBondContact CE-O 3.36Å; K93-Y107 PolarHBondContact NZ-O 3.46Å; P100-Y107 HydrophobicContact CG-CD1 4.28Å; P100-Y107 HydrophobicContact CG-CD2 4.08Å; P100-Y107 HydrophobicContact CG-CE1 3.96Å; P100-Y107 HydrophobicContact CG-CE2 3.73Å; P100-Y107 HydrophobicContact CG-CG 4.34Å; S104-Y107 PolarHBondContact O-N 2.66Å; P105-Y107 VanDerWaalsContact C-N 3.31Å; P105-Y107 PolarHBondContact O-N 3.15Å; Y107-W751 AromaticContact CD1-CH2 3.88Å; Y107-W751 HydrophobicContact CD1-CH2 3.88Å; Y107-W751 AromaticContact CE1-CH2 3.92Å; Y107-W751 HydrophobicContact CE1-CH2 3.92Å; Y107-R876 PolarHBondContact OH-NH2 3.11Å
108	V	95.3	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-54.1	-172.1	170.2	0	0	0	0	111.2	K93 Y103 S104 P105 S110 W112 W751 F868 I869 E872	K93-V108 PolarHBondContact NZ-O 3.14Å; Y103-V108 HydrophobicContact CD2-CG2 3.72Å; Y103-V108 HydrophobicContact CE2-CB 4.06Å; Y103-V108 HydrophobicContact CE2-CG1 4.42Å; Y103-V108 HydrophobicContact CE2-CG2 3.63Å; S104-V108 WeakPolarHBondContact O-CG2 3.29Å; S104-V108 PolarHBondContact O-N 2.81Å; P105-V108 PolarHBondContact O-N 3.41Å; V108-S110 PolarHBondContact O-N 2.76Å; V108-W112 PolarHBondContact O-NE1 3.26Å; V108-W751 HydrophobicContact CG2-CE3 4.2Å; V108-W751 HydrophobicContact CG2-CH2 4.09Å; V108-W751 HydrophobicContact CG2-CZ3 3.47Å; V108-W751 VanDerWaalsContact CG2-CZ3 3.47Å; V108-F868 HydrophobicContact CG1-CB 4.17Å; V108-I869 HydrophobicContact CG1-CB 4.22Å; V108-E872 HydrophobicContact CG1-CB 4Å; V108-E872 HydrophobicContact CG1-CG 4.38Å; V108-E872 HydrophobicContact CG2-CG 4.3Å
109	E	95.1	Very high	94	Very high	26 Å²	26	36.5 Å²	36.5	12%	0.121	19%	0.192	C	C	.	.	H	α-helix	trans	-70	-19.4	-170.1	-63.6	175.3	-157.7	0	0	113.2	P105 G715 T716 F868	P105-E109 WeakPolarHBondContact O-CB 3.41Å; P105-E109 WeakPolarHBondContact O-CG 3.42Å; P105-E109 PolarHBondContact O-N 3.08Å; E109-G715 VanDerWaalsContact OE1-CA 3.32Å; E109-G715 WeakPolarHBondContact OE1-CA 3.46Å; E109-T716 VanDerWaalsContact CD-OG1 3.32Å; E109-T716 PolarHBondContact OE1-N 3.41Å; E109-T716 PolarHBondContact OE1-OG1 3.06Å; E109-T716 PolarHBondContact OE2-OG1 3.05Å; E109-F868 HydrophobicContact CB-CD1 4.06Å; E109-F868 HydrophobicContact CB-CE1 4.41Å; E109-F868 HydrophobicContact CB-CG 4.33Å; E109-F868 HydrophobicContact CG-CB 3.87Å; E109-F868 HydrophobicContact CG-CD1 4.08Å; E109-F868 HydrophobicContact CG-CD2 4.23Å; E109-F868 HydrophobicContact CG-CG 3.82Å
110	S	93	Very high	94.1	Very high	43 Å²	43	35.7 Å²	35.7	30%	0.301	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	137	176	-72.4	0	0	0	0	113	D106 V108 W112	D106-S110 WeakPolarHBondContact O-CB 3.26Å; D106-S110 PolarHBondContact O-N 3.28Å; D106-S110 PolarHBondContact O-OG 2.93Å; V108-S110 PolarHBondContact O-N 2.76Å; S110-W112 PolarHBondContact O-N 3.33Å
111	C	93.9	Very high	94.2	Very high	28 Å²	28	35.7 Å²	35.7	19%	0.189	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	-29.6	174.8	-51.8	0	0	0	0	116.9	T87 K93 Y113 Q114 W115	T87-C111 HydrophobicContact CG2-CB 4.41Å; K93-C111 HydrophobicContact CB-CB 4.04Å; K93-C111 HydrophobicContact CG-CB 4.28Å; C111-Y113 PolarHBondContact O-N 3.5Å; C111-Q114 PolarHBondContact O-N 3.1Å; C111-W115 PolarHBondContact O-N 3.4Å; C111-W115 VanDerWaalsContact O-N 3.12Å
112	W	96.3	Very high	94.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-48.2	-171.2	-69.4	127.3	0	0	0	114	K92 K93 T95 V108 S110 Q114 W115 W116 F868 E871 E872 Q875	K92-W112 HydrophobicContact CG-CZ3 4.03Å; K93-W112 HydrophobicContact CB-CD2 4.36Å; K93-W112 HydrophobicContact CB-CE3 4.32Å; K93-W112 HydrophobicContact CB-CH2 3.73Å; K93-W112 HydrophobicContact CB-CZ2 3.79Å; K93-W112 HydrophobicContact CB-CZ3 4.02Å; K93-W112 HydrophobicContact CD-CD2 4.44Å; K93-W112 HydrophobicContact CD-CH2 4.42Å; K93-W112 HydrophobicContact CD-CZ2 3.65Å; K93-W112 HydrophobicContact CG-CZ2 4.34Å; T95-W112 HydrophobicContact CG2-CH2 3.79Å; T95-W112 HydrophobicContact CG2-CZ2 3.71Å; V108-W112 PolarHBondContact O-NE1 3.26Å; S110-W112 PolarHBondContact O-N 3.33Å; W112-Q114 PolarHBondContact O-N 3.16Å; W112-W115 AromaticContact CE3-CE3 3.7Å; W112-W115 HydrophobicContact CE3-CE3 3.7Å; W112-W115 AromaticContact CE3-CZ3 3.98Å; W112-W115 HydrophobicContact CE3-CZ3 3.98Å; W112-W115 AromaticContact CZ3-CE3 3.91Å; W112-W115 HydrophobicContact CZ3-CE3 3.91Å; W112-W115 AromaticContact CZ3-CZ3 3.88Å; W112-W115 HydrophobicContact CZ3-CZ3 3.88Å; W112-W115 PolarHBondContact O-N 3.11Å; W112-W116 HydrophobicContact CB-CH2 4Å; W112-W116 HydrophobicContact CB-CZ2 3.87Å; W112-W116 HydrophobicContact CB-CZ3 4.39Å; W112-W116 HydrophobicContact CG-CZ2 4.45Å; W112-W116 VanDerWaalsContact O-CG 3.25Å; W112-W116 PolarHBondContact O-N 3.25Å; W112-F868 HydrophobicContact CB-CD1 4.04Å; W112-F868 HydrophobicContact CB-CE1 4.39Å; W112-E871 HydrophobicContact CD2-CG 3.95Å; W112-E871 HydrophobicContact CE3-CG 3.77Å; W112-E871 HydrophobicContact CH2-CG 4.4Å; W112-E871 HydrophobicContact CZ3-CG 4.02Å; W112-E872 HydrophobicContact CZ2-CB 4.4Å; W112-E872 WeakPolarHBondContact CZ2-OE2 3.36Å; W112-E872 PolarHBondContact NE1-OE2 3.06Å; W112-E872 VanDerWaalsContact NE1-OE2 3.12Å; W112-Q875 HydrophobicContact CH2-CB 4.12Å; W112-Q875 HydrophobicContact CH2-CG 3.72Å; W112-Q875 HydrophobicContact CZ2-CG 4.45Å; W112-Q875 HydrophobicContact CZ3-CG 4.19Å
113	Y	96.8	Very high	94.6	Very high	19 Å²	19	32 Å²	32	8%	0.075	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-46.5	-176.4	-166.3	-85.3	0	0	0	112.6	C111 W115 W116 E117 F122 R233 A237 W241 F868	C111-Y113 PolarHBondContact O-N 3.5Å; Y113-W115 PolarHBondContact O-N 3.42Å; Y113-W116 AromaticContact CD2-CE3 3.98Å; Y113-W116 HydrophobicContact CD2-CE3 3.98Å; Y113-W116 HydrophobicContact CD2-CZ3 4.22Å; Y113-W116 HydrophobicContact CG-CE3 4.49Å; Y113-W116 PolarHBondContact O-N 2.95Å; Y113-E117 HydrophobicContact CE1-CB 4.39Å; Y113-E117 WeakPolarHBondContact CE1-OE2 3.24Å; Y113-E117 WeakPolarHBondContact O-CB 3.42Å; Y113-E117 PolarHBondContact O-N 2.97Å; Y113-F122 HydrophobicContact CE2-CE2 4.16Å; Y113-R233 HydrophobicContact CD1-CB 3.97Å; Y113-R233 HydrophobicContact CD1-CG 4.2Å; Y113-R233 VanDerWaalsContact CD2-O 3.28Å; Y113-R233 WeakPolarHBondContact CD2-O 3.42Å; Y113-R233 HydrophobicContact CE1-CB 3.48Å; Y113-R233 VanDerWaalsContact CE1-CB 3.48Å; Y113-R233 HydrophobicContact CE1-CG 3.32Å; Y113-R233 HydrophobicContact CE2-CB 4.37Å; Y113-R233 WeakPolarHBondContact CE2-O 3.43Å; Y113-R233 WeakPolarHBondContact OH-CG 3.49Å; Y113-A237 PolarHBondContact OH-O 3.2Å; Y113-W241 AromaticContact CZ-NE1 3.83Å; Y113-W241 VanDerWaalsContact OH-CE2 3.25Å; Y113-W241 VanDerWaalsContact OH-CZ2 3.3Å; Y113-W241 WeakPolarHBondContact OH-CZ2 3.45Å; Y113-W241 PolarHBondContact OH-NE1 3.01Å; Y113-F868 HydrophobicContact CD2-CZ 4.3Å
114	Q	95.4	Very high	94.6	Very high	106 Å²	106	31.8 Å²	31.8	50%	0.495	16%	0.161	S	C	.	.	H	α-helix	trans	-60.5	-36.8	178.5	-64.9	177.5	-1.9	0	0	111.4	G90 C111 W112 K118	G90-Q114 WeakPolarHBondContact CA-O 3.32Å; C111-Q114 PolarHBondContact O-N 3.1Å; W112-Q114 PolarHBondContact O-N 3.16Å; Q114-K118 VanDerWaalsContact O-CB 3.28Å; Q114-K118 WeakPolarHBondContact O-CB 3.34Å; Q114-K118 PolarHBondContact O-N 3.39Å
115	W	96.1	Very high	94.5	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.045	18%	0.178	C	C	.	.	H	α-helix	trans	-67.2	-47.9	175.4	174.4	57.4	0	0	0	111.8	G90 K92 C111 W112 Y113 E117 K118 E119 F121	G90-W115 WeakPolarHBondContact O-CA 3.39Å; K92-W115 HydrophobicContact CB-CD2 4.08Å; K92-W115 HydrophobicContact CB-CG 4.21Å; K92-W115 HydrophobicContact CB-CZ2 4.21Å; K92-W115 HydrophobicContact CD-CH2 4.25Å; K92-W115 HydrophobicContact CD-CZ2 3.97Å; K92-W115 HydrophobicContact CG-CD2 4.16Å; K92-W115 HydrophobicContact CG-CE3 4.47Å; K92-W115 HydrophobicContact CG-CH2 4.28Å; K92-W115 HydrophobicContact CG-CZ2 3.98Å; C111-W115 PolarHBondContact O-N 3.4Å; C111-W115 VanDerWaalsContact O-N 3.12Å; W112-W115 AromaticContact CE3-CE3 3.7Å; W112-W115 HydrophobicContact CE3-CE3 3.7Å; W112-W115 AromaticContact CE3-CZ3 3.98Å; W112-W115 HydrophobicContact CE3-CZ3 3.98Å; W112-W115 AromaticContact CZ3-CE3 3.91Å; W112-W115 HydrophobicContact CZ3-CE3 3.91Å; W112-W115 AromaticContact CZ3-CZ3 3.88Å; W112-W115 HydrophobicContact CZ3-CZ3 3.88Å; W112-W115 PolarHBondContact O-N 3.11Å; Y113-W115 PolarHBondContact O-N 3.42Å; W115-E117 VanDerWaalsContact C-N 3.3Å; W115-E117 PolarHBondContact O-N 2.84Å; W115-K118 PolarHBondContact O-N 3.13Å; W115-E119 HydrophobicContact CG-CG 4.45Å; W115-E119 VanDerWaalsContact NE1-CG 3.34Å; W115-E119 WeakPolarHBondContact O-CG 3.26Å; W115-E119 PolarHBondContact O-N 3.18Å; W115-F121 HydrophobicContact CD2-CE2 4.12Å; W115-F121 AromaticContact CE2-CE2 3.89Å; W115-F121 HydrophobicContact CE3-CE2 4.05Å; W115-F121 AromaticContact CH2-CE2 3.68Å; W115-F121 HydrophobicContact CH2-CE2 3.68Å; W115-F121 HydrophobicContact CH2-CZ 4.04Å; W115-F121 AromaticContact CZ2-CE2 3.68Å; W115-F121 HydrophobicContact CZ2-CE2 3.68Å; W115-F121 AromaticContact CZ2-CZ 3.7Å; W115-F121 HydrophobicContact CZ2-CZ 3.7Å; W115-F121 AromaticContact CZ3-CE2 3.85Å; W115-F121 HydrophobicContact CZ3-CE2 3.85Å
116	W	96.6	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-42.1	177.3	-61.2	-31.3	0	0	0	112.8	W112 Y113 G120 F121 F122 P867 F868 E871 S889	W112-W116 HydrophobicContact CB-CH2 4Å; W112-W116 HydrophobicContact CB-CZ2 3.87Å; W112-W116 HydrophobicContact CB-CZ3 4.39Å; W112-W116 HydrophobicContact CG-CZ2 4.45Å; W112-W116 VanDerWaalsContact O-CG 3.25Å; W112-W116 PolarHBondContact O-N 3.25Å; Y113-W116 AromaticContact CD2-CE3 3.98Å; Y113-W116 HydrophobicContact CD2-CE3 3.98Å; Y113-W116 HydrophobicContact CD2-CZ3 4.22Å; Y113-W116 HydrophobicContact CG-CE3 4.49Å; Y113-W116 PolarHBondContact O-N 2.95Å; W116-G120 PolarHBondContact O-N 2.72Å; W116-F121 HydrophobicContact CB-CD2 4.07Å; W116-F121 AromaticContact CD1-CD2 3.61Å; W116-F121 AromaticContact CD1-CE2 3.89Å; W116-F121 HydrophobicContact CG-CD2 4.18Å; W116-F121 PolarHBondContact O-N 2.89Å; W116-F121 VanDerWaalsContact O-N 3.15Å; W116-F122 HydrophobicContact CB-CE1 3.91Å; W116-F122 HydrophobicContact CB-CE2 4.13Å; W116-F122 HydrophobicContact CB-CZ 3.47Å; W116-F122 VanDerWaalsContact CB-CZ 3.47Å; W116-F122 HydrophobicContact CD2-CZ 4.25Å; W116-F122 AromaticContact CE3-CZ 3.97Å; W116-F122 HydrophobicContact CE3-CZ 3.97Å; W116-F122 HydrophobicContact CG-CE1 4.41Å; W116-F122 HydrophobicContact CG-CZ 4.13Å; W116-P867 HydrophobicContact CH2-CB 4.04Å; W116-F868 AromaticContact CH2-CD1 3.71Å; W116-F868 HydrophobicContact CH2-CD1 3.71Å; W116-F868 AromaticContact CH2-CE1 3.93Å; W116-F868 HydrophobicContact CH2-CE1 3.93Å; W116-F868 HydrophobicContact CH2-CG 4.12Å; W116-F868 HydrophobicContact CH2-CZ 4.5Å; W116-F868 AromaticContact CZ3-CD1 3.93Å; W116-F868 HydrophobicContact CZ3-CD1 3.93Å; W116-F868 AromaticContact CZ3-CE1 3.64Å; W116-F868 HydrophobicContact CZ3-CE1 3.64Å; W116-F868 AromaticContact CZ3-CZ 3.99Å; W116-F868 HydrophobicContact CZ3-CZ 3.99Å; W116-E871 HydrophobicContact CZ2-CB 3.84Å; W116-E871 HydrophobicContact CZ2-CG 3.84Å; W116-S889 PolarHBondContact NE1-OG 2.95Å
117	E	95.3	Very high	94.2	Very high	64 Å²	64	35.3 Å²	35.3	30%	0.299	18%	0.178	S	C	.	.	H	α-helix	trans	-66.6	-47	178.1	-174.5	171.4	-176.9	0	0	111.3	Y113 W115 E119 G120 R233	Y113-E117 HydrophobicContact CE1-CB 4.39Å; Y113-E117 WeakPolarHBondContact CE1-OE2 3.24Å; Y113-E117 WeakPolarHBondContact O-CB 3.42Å; Y113-E117 PolarHBondContact O-N 2.97Å; W115-E117 VanDerWaalsContact C-N 3.3Å; W115-E117 PolarHBondContact O-N 2.84Å; E117-E119 PolarHBondContact O-N 2.89Å; E117-G120 PolarHBondContact O-N 3.01Å; E117-G120 VanDerWaalsContact O-N 3.1Å; E117-R233 IonicContact OE1-CZ 2.9Å; E117-R233 IonicContact OE1-NE 2.8Å; E117-R233 PolarHBondContact OE1-NE 3.12Å; E117-R233 IonicContact OE1-NH2 2.66Å; E117-R233 PolarHBondContact OE1-NH2 3.45Å; E117-R233 IonicContact OE2-CZ 3.7Å; E117-R233 IonicContact OE2-NE 3.93Å; E117-R233 PolarHBondContact OE2-NE 3.33Å; E117-R233 IonicContact OE2-NH2 3.62Å
118	K	94.9	Very high	93.9	Very high	131 Å²	131	38.2 Å²	38.2	57%	0.57	19%	0.192	S	C	*	.	H	α-helix	trans	-63.4	-40.5	-179.5	-173.2	-174.9	-178	-179.9	0	113	G90 Q114 W115 G120	G90-K118 VanDerWaalsContact O-CD 3.24Å; G90-K118 WeakPolarHBondContact O-CD 3.45Å; Q114-K118 VanDerWaalsContact O-CB 3.28Å; Q114-K118 WeakPolarHBondContact O-CB 3.34Å; Q114-K118 PolarHBondContact O-N 3.39Å; W115-K118 PolarHBondContact O-N 3.13Å; K118-G120 PolarHBondContact O-N 2.85Å
119	E	93.4	Very high	93.5	Very high	88 Å²	88	46.5 Å²	46.5	41%	0.411	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.2	177.8	-63.3	-62.6	133.9	0	0	112.8	W115 E117 F121	W115-E119 HydrophobicContact CG-CG 4.45Å; W115-E119 VanDerWaalsContact NE1-CG 3.34Å; W115-E119 WeakPolarHBondContact O-CG 3.26Å; W115-E119 PolarHBondContact O-N 3.18Å; E117-E119 PolarHBondContact O-N 2.89Å; E119-F121 HydrophobicContact CB-CD1 3.68Å; E119-F121 HydrophobicContact CB-CD2 4.28Å; E119-F121 HydrophobicContact CB-CE1 3.3Å; E119-F121 HydrophobicContact CB-CE2 3.9Å; E119-F121 HydrophobicContact CB-CG 4.17Å; E119-F121 HydrophobicContact CB-CZ 3.41Å; E119-F121 VanDerWaalsContact CB-CZ 3.41Å; E119-F121 HydrophobicContact CG-CE1 4.03Å; E119-F121 HydrophobicContact CG-CE2 4.19Å; E119-F121 HydrophobicContact CG-CZ 3.69Å; E119-F121 PolarHBondContact O-N 2.77Å
120	G	93.9	Very high	93.3	Very high	22 Å²	22	45.9 Å²	45.9	23%	0.227	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	26.8	178.2	0	0	0	0	0	113.8	W116 E117 K118 F122 N123 Q126	W116-G120 PolarHBondContact O-N 2.72Å; E117-G120 PolarHBondContact O-N 3.01Å; E117-G120 VanDerWaalsContact O-N 3.1Å; K118-G120 PolarHBondContact O-N 2.85Å; G120-F122 PolarHBondContact O-N 2.81Å; G120-N123 VanDerWaalsContact O-CB 3.28Å; G120-N123 WeakPolarHBondContact O-CB 3.34Å; G120-N123 PolarHBondContact O-N 2.79Å; G120-Q126 VanDerWaalsContact O-CG 3.26Å; G120-Q126 WeakPolarHBondContact O-CG 3.42Å
121	F	94.6	Very high	93.2	Very high	18 Å²	18	49.9 Å²	49.9	8%	0.079	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-11	-176.5	-63.6	-24.7	0	0	0	114.8	W115 W116 E119 H127 L892	W115-F121 HydrophobicContact CD2-CE2 4.12Å; W115-F121 AromaticContact CE2-CE2 3.89Å; W115-F121 HydrophobicContact CE3-CE2 4.05Å; W115-F121 AromaticContact CH2-CE2 3.68Å; W115-F121 HydrophobicContact CH2-CE2 3.68Å; W115-F121 HydrophobicContact CH2-CZ 4.04Å; W115-F121 AromaticContact CZ2-CE2 3.68Å; W115-F121 HydrophobicContact CZ2-CE2 3.68Å; W115-F121 AromaticContact CZ2-CZ 3.7Å; W115-F121 HydrophobicContact CZ2-CZ 3.7Å; W115-F121 AromaticContact CZ3-CE2 3.85Å; W115-F121 HydrophobicContact CZ3-CE2 3.85Å; W116-F121 HydrophobicContact CB-CD2 4.07Å; W116-F121 AromaticContact CD1-CD2 3.61Å; W116-F121 AromaticContact CD1-CE2 3.89Å; W116-F121 HydrophobicContact CG-CD2 4.18Å; W116-F121 PolarHBondContact O-N 2.89Å; W116-F121 VanDerWaalsContact O-N 3.15Å; E119-F121 HydrophobicContact CB-CD1 3.68Å; E119-F121 HydrophobicContact CB-CD2 4.28Å; E119-F121 HydrophobicContact CB-CE1 3.3Å; E119-F121 HydrophobicContact CB-CE2 3.9Å; E119-F121 HydrophobicContact CB-CG 4.17Å; E119-F121 HydrophobicContact CB-CZ 3.41Å; E119-F121 VanDerWaalsContact CB-CZ 3.41Å; E119-F121 HydrophobicContact CG-CE1 4.03Å; E119-F121 HydrophobicContact CG-CE2 4.19Å; E119-F121 HydrophobicContact CG-CZ 3.69Å; E119-F121 PolarHBondContact O-N 2.77Å; F121-H127 PolarHBondContact O-NE2 3.42Å; F121-H127 VanDerWaalsContact O-NE2 3.12Å; F121-L892 HydrophobicContact CB-CD1 4.34Å; F121-L892 HydrophobicContact CB-CD2 4.37Å; F121-L892 HydrophobicContact CB-CG 4.44Å; F121-L892 HydrophobicContact CD1-CD1 3.46Å; F121-L892 VanDerWaalsContact CD1-CD1 3.46Å; F121-L892 HydrophobicContact CD1-CG 4.38Å; F121-L892 HydrophobicContact CE1-CD1 3.81Å; F121-L892 HydrophobicContact CG-CD1 3.91Å; F121-L892 HydrophobicContact CG-CG 4.37Å
122	F	95.6	Very high	93.1	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.026	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.7	177.9	-50.7	-26.4	0	0	0	112.4	Y113 W116 G120 L239	Y113-F122 HydrophobicContact CE2-CE2 4.16Å; W116-F122 HydrophobicContact CB-CE1 3.91Å; W116-F122 HydrophobicContact CB-CE2 4.13Å; W116-F122 HydrophobicContact CB-CZ 3.47Å; W116-F122 VanDerWaalsContact CB-CZ 3.47Å; W116-F122 HydrophobicContact CD2-CZ 4.25Å; W116-F122 AromaticContact CE3-CZ 3.97Å; W116-F122 HydrophobicContact CE3-CZ 3.97Å; W116-F122 HydrophobicContact CG-CE1 4.41Å; W116-F122 HydrophobicContact CG-CZ 4.13Å; G120-F122 PolarHBondContact O-N 2.81Å; F122-L239 WeakPolarHBondContact CD2-O 3.27Å
123	N	94.6	Very high	93.1	Very high	32 Å²	32	58.2 Å²	58.2	17%	0.171	28%	0.275	C	S	.	.	S	Bend	trans	-81.6	131.7	-177.1	-175.1	-58.2	0	0	0	111.1	G120 D125 Q126	G120-N123 VanDerWaalsContact O-CB 3.28Å; G120-N123 WeakPolarHBondContact O-CB 3.34Å; G120-N123 PolarHBondContact O-N 2.79Å; N123-D125 PolarHBondContact O-N 3.2Å; N123-D125 VanDerWaalsContact O-N 3.11Å; N123-D125 VanDerWaalsContact OD1-CB 3.29Å; N123-D125 WeakPolarHBondContact OD1-CB 3.35Å; N123-D125 PolarHBondContact OD1-N 2.87Å; N123-D125 PolarHBondContact OD1-OD2 3.4Å; N123-Q126 PolarHBondContact O-N 3.4Å; N123-Q126 VanDerWaalsContact O-N 3.1Å
124	P	94.3	Very high	93	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-51.1	-32.7	177.6	-24.4	29.1	0	0	0	115.8	Q126 H127 E128 R175 V176 L177 F610	P124-Q126 VanDerWaalsContact C-N 3.33Å; P124-H127 WeakPolarHBondContact CA-ND1 3.48Å; P124-H127 WeakPolarHBondContact O-CB 3.38Å; P124-H127 PolarHBondContact O-N 2.95Å; P124-H127 VanDerWaalsContact O-N 3.15Å; P124-E128 PolarHBondContact O-N 3.19Å; P124-R175 HydrophobicContact CB-CG 3.93Å; P124-V176 WeakPolarHBondContact CG-O 3.48Å; P124-L177 HydrophobicContact CG-CB 3.95Å; P124-L177 HydrophobicContact CG-CD1 3.77Å; P124-L177 HydrophobicContact CG-CG 4.42Å; P124-F610 HydrophobicContact CB-CE1 4.35Å; P124-F610 HydrophobicContact CB-CZ 3.72Å; P124-F610 HydrophobicContact CG-CE1 4.38Å; P124-F610 HydrophobicContact CG-CZ 3.83Å
125	D	90.4	Very high	93	Very high	72 Å²	72	62.3 Å²	62.3	39%	0.385	30%	0.303	S	S	.	.	H	α-helix	trans	-72.8	-27.8	-176.3	-58.6	-25.9	0	0	0	111.9	N123 H127 E128 R609	N123-D125 PolarHBondContact O-N 3.2Å; N123-D125 VanDerWaalsContact O-N 3.11Å; N123-D125 VanDerWaalsContact OD1-CB 3.29Å; N123-D125 WeakPolarHBondContact OD1-CB 3.35Å; N123-D125 PolarHBondContact OD1-N 2.87Å; N123-D125 PolarHBondContact OD1-OD2 3.4Å; D125-H127 VanDerWaalsContact C-N 3.32Å; D125-E128 PolarHBondContact O-N 2.83Å; D125-R609 IonicContact OD1-NH2 3.95Å
126	Q	87.9	Confident	93	Very high	60 Å²	60	67 Å²	67	28%	0.28	33%	0.326	S	S	.	.	H	α-helix	trans	-69.9	-33.8	170.3	-67.8	-66.3	-7.1	0	0	111.1	G120 N123 P124 E128 R129	G120-Q126 VanDerWaalsContact O-CG 3.26Å; G120-Q126 WeakPolarHBondContact O-CG 3.42Å; N123-Q126 PolarHBondContact O-N 3.4Å; N123-Q126 VanDerWaalsContact O-N 3.1Å; P124-Q126 VanDerWaalsContact C-N 3.33Å; Q126-E128 PolarHBondContact O-N 2.84Å; Q126-R129 WeakPolarHBondContact O-CB 3.34Å; Q126-R129 PolarHBondContact O-N 3.2Å; Q126-R129 VanDerWaalsContact O-N 3.08Å; Q126-R129 VanDerWaalsContact OE1-NH1 3.1Å
127	H	91.8	Very high	92.9	Very high	3 Å²	3	69 Å²	69	1%	0.014	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-27.9	178.8	-49.8	149.8	0	0	0	112	F121 P124 D125 R129 L130 R170 V176	F121-H127 PolarHBondContact O-NE2 3.42Å; F121-H127 VanDerWaalsContact O-NE2 3.12Å; P124-H127 WeakPolarHBondContact CA-ND1 3.48Å; P124-H127 WeakPolarHBondContact O-CB 3.38Å; P124-H127 PolarHBondContact O-N 2.95Å; P124-H127 VanDerWaalsContact O-N 3.15Å; D125-H127 VanDerWaalsContact C-N 3.32Å; H127-R129 PolarHBondContact O-N 3.03Å; H127-L130 HydrophobicContact CB-CD1 4.17Å; H127-L130 WeakPolarHBondContact O-CB 3.45Å; H127-L130 WeakPolarHBondContact O-CG 3.47Å; H127-L130 PolarHBondContact O-N 3.24Å; H127-R170 PolarHBondContact CE1-NE 2.93Å; H127-R170 VanDerWaalsContact NE2-CD 3.32Å; H127-R170 WeakPolarHBondContact NE2-CD 3.44Å; H127-R170 PolarHBondContact NE2-NE 2.83Å; H127-V176 PolarHBondContact CE1-O 2.87Å; H127-V176 VanDerWaalsContact CE1-O 3.28Å; H127-V176 PolarHBondContact ND1-N 2.92Å; H127-V176 PolarHBondContact ND1-O 2.83Å
128	E	86	Confident	93.1	Very high	72 Å²	72	66.5 Å²	66.5	34%	0.336	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	174.6	-60.1	-163.3	155.7	0	0	113.8	P124 D125 Q126 L130 R133 R175 R609	P124-E128 PolarHBondContact O-N 3.19Å; D125-E128 PolarHBondContact O-N 2.83Å; Q126-E128 PolarHBondContact O-N 2.84Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-R133 WeakPolarHBondContact O-CD 3.44Å; E128-R175 IonicContact OE1-CZ 2.66Å; E128-R175 VanDerWaalsContact OE1-CZ 3.27Å; E128-R175 IonicContact OE1-NE 3.81Å; E128-R175 PolarHBondContact OE1-NE 2.93Å; E128-R175 IonicContact OE1-NH2 3.33Å; E128-R175 PolarHBondContact OE1-NH2 2.66Å; E128-R609 IonicContact OE1-CZ 3.55Å; E128-R609 IonicContact OE1-NH1 3.59Å; E128-R609 PolarHBondContact OE1-NH1 3.14Å; E128-R609 IonicContact OE1-NH2 3Å; E128-R609 PolarHBondContact OE1-NH2 2.94Å
129	R	88.8	Confident	93.2	Very high	174 Å²	174	60.4 Å²	60.4	66%	0.657	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.4	179.6	-57.9	175.6	-174.3	162.1	-1.6	112.3	Q126 H127	Q126-R129 WeakPolarHBondContact O-CB 3.34Å; Q126-R129 PolarHBondContact O-N 3.2Å; Q126-R129 VanDerWaalsContact O-N 3.08Å; Q126-R129 VanDerWaalsContact OE1-NH1 3.1Å; H127-R129 PolarHBondContact O-N 3.03Å
130	L	90.2	Very high	93.3	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.068	28%	0.28	C	S	.	.			trans	-67.1	136.8	-179.3	-64.8	174.9	0	0	0	110.9	H127 E128 H132 R133 L892	H127-L130 HydrophobicContact CB-CD1 4.17Å; H127-L130 WeakPolarHBondContact O-CB 3.45Å; H127-L130 WeakPolarHBondContact O-CG 3.47Å; H127-L130 PolarHBondContact O-N 3.24Å; E128-L130 VanDerWaalsContact C-N 3.34Å; L130-H132 PolarHBondContact O-N 2.93Å; L130-R133 HydrophobicContact CB-CB 4.4Å; L130-R133 PolarHBondContact O-N 3.2Å; L130-L892 HydrophobicContact CD2-CB 3.95Å; L130-L892 HydrophobicContact CD2-CD2 4.3Å; L130-L892 HydrophobicContact CD2-CG 4.49Å
131	P	90.4	Very high	93.4	Very high	127 Å²	127	55.1 Å²	55.1	83%	0.825	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.4	177	-25.3	34	0	0	0	114
132	H	92.8	Very high	93.4	Very high	47 Å²	47	54.5 Å²	54.5	22%	0.218	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	21.1	-176	63.3	-79.7	0	0	0	112.7	L130 M171 L892 P894	L130-H132 PolarHBondContact O-N 2.93Å; H132-M171 PolarHBondContact NE2-O 3.02Å; H132-L892 PolarHBondContact CE1-O 3.45Å; H132-L892 VanDerWaalsContact CE1-O 3.3Å; H132-P894 HydrophobicContact CB-CG 4.28Å
133	R	94.6	Very high	93.3	Very high	157 Å²	157	55.1 Å²	55.1	59%	0.592	27%	0.271	S	S	*	.			trans	-58.4	148.1	-179.6	73.3	-175.9	-177.8	-84.8	-1.2	111.7	E128 L130 G173	E128-R133 WeakPolarHBondContact O-CD 3.44Å; L130-R133 HydrophobicContact CB-CB 4.4Å; L130-R133 PolarHBondContact O-N 3.2Å; R133-G173 WeakPolarHBondContact CA-O 3.48Å
134	V	95.7	Very high	93.3	Very high	57 Å²	57	54.1 Å²	54.1	35%	0.345	27%	0.267	S	S	.	.			trans	-118.7	155.6	170.4	-62.5	0	0	0	0	109.7	Q136 G173	V134-Q136 HydrophobicContact CG2-CB 4.01Å; V134-Q136 HydrophobicContact CG2-CG 4.35Å; V134-Q136 PolarHBondContact O-N 3Å; V134-G173 PolarHBondContact N-O 3.06Å
135	D	94.8	Very high	93.3	Very high	153 Å²	153	54.4 Å²	54.4	82%	0.818	27%	0.269	S	S	*	.	S	Bend	trans	-81.8	58.8	175.6	-166.1	27.6	0	0	0	111.1
136	Q	95.7	Very high	93.4	Very high	111 Å²	111	53.9 Å²	53.9	52%	0.519	27%	0.266	S	S	.	.			trans	-137.7	139.3	177	-64.1	-169.9	-3.1	0	0	110.2	V134 H174 R175	V134-Q136 HydrophobicContact CG2-CB 4.01Å; V134-Q136 HydrophobicContact CG2-CG 4.35Å; V134-Q136 PolarHBondContact O-N 3Å; Q136-H174 PolarHBondContact OE1-CE1 3.28Å; Q136-R175 PolarHBondContact O-N 3.3Å
137	T	96.3	Very high	93.5	Very high	42 Å²	42	51 Å²	51	26%	0.258	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144	176.3	-64.9	0	0	0	0	109.7	R175 F610 S614	T137-R175 WeakPolarHBondContact CA-O 3.5Å; T137-F610 HydrophobicContact CG2-CD1 3.29Å; T137-F610 HydrophobicContact CG2-CE1 3.62Å; T137-F610 HydrophobicContact CG2-CG 4.38Å; T137-S614 PolarHBondContact O-OG 3.44Å
138	F	97.6	Very high	93	Very high	12 Å²	12	52.1 Å²	52.1	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	108.2	167.7	-172.9	-103.2	0	0	0	109.2	L140 L165 V166 R169 H174 R175 V176 L177 S614 L615	F138-L140 HydrophobicContact CD1-CD2 3.89Å; F138-L140 HydrophobicContact CE1-CD2 3.49Å; F138-L140 VanDerWaalsContact CE1-CD2 3.49Å; F138-L140 HydrophobicContact CZ-CD2 4.26Å; F138-L165 HydrophobicContact CE1-CB 4.49Å; F138-L165 HydrophobicContact CZ-CB 4.47Å; F138-V166 HydrophobicContact CD1-CG1 4.18Å; F138-V166 HydrophobicContact CE1-CG1 3.92Å; F138-R169 HydrophobicContact CB-CB 4.13Å; F138-R169 HydrophobicContact CB-CG 4.31Å; F138-R169 HydrophobicContact CD1-CB 4.01Å; F138-R169 HydrophobicContact CD1-CG 3.92Å; F138-R169 HydrophobicContact CD2-CG 3.91Å; F138-R169 HydrophobicContact CE1-CG 4.17Å; F138-R169 HydrophobicContact CE2-CG 4.18Å; F138-R169 HydrophobicContact CG-CB 4.01Å; F138-R169 HydrophobicContact CG-CG 3.78Å; F138-R169 HydrophobicContact CZ-CG 4.3Å; F138-H174 HydrophobicContact CB-CB 4.44Å; F138-R175 PolarHBondContact N-O 2.63Å; F138-V176 HydrophobicContact CB-CG2 4.26Å; F138-V176 HydrophobicContact CD1-CG1 4.29Å; F138-V176 CarbonylContact O-C 3.53Å; F138-V176 VanDerWaalsContact O-CA 3.28Å; F138-V176 WeakPolarHBondContact O-CA 3.45Å; F138-L177 PolarHBondContact O-N 3.13Å; F138-S614 WeakPolarHBondContact CA-OG 3.35Å; F138-L615 HydrophobicContact CE2-CB 4.3Å; F138-L615 HydrophobicContact CZ-CB 4.24Å; F138-L615 HydrophobicContact CZ-CD2 4.18Å
139	S	97.3	Very high	92.8	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.2	-176.4	50.6	0	0	0	0	112.6	L177 F610 N613 S614 L615	S139-L177 VanDerWaalsContact CA-O 3.31Å; S139-L177 WeakPolarHBondContact CA-O 3.43Å; S139-F610 WeakPolarHBondContact CB-O 3.33Å; S139-F610 PolarHBondContact OG-O 3.17Å; S139-N613 WeakPolarHBondContact OG-CA 3.48Å; S139-S614 PolarHBondContact N-OG 3.46Å; S139-S614 PolarHBondContact O-N 3.42Å; S139-S614 PolarHBondContact OG-N 3Å; S139-L615 PolarHBondContact O-N 3.09Å
140	L	96.5	Very high	92.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	165.1	168.6	64.2	162.5	0	0	0	111.2	F138 Q162 V166 L177 W178 V179 L615	F138-L140 HydrophobicContact CD1-CD2 3.89Å; F138-L140 HydrophobicContact CE1-CD2 3.49Å; F138-L140 VanDerWaalsContact CE1-CD2 3.49Å; F138-L140 HydrophobicContact CZ-CD2 4.26Å; L140-Q162 HydrophobicContact CD1-CB 4.22Å; L140-Q162 HydrophobicContact CD1-CG 3.97Å; L140-V166 HydrophobicContact CD2-CG1 3.44Å; L140-V166 VanDerWaalsContact CD2-CG1 3.44Å; L140-V166 HydrophobicContact CG-CG1 4.45Å; L140-L177 PolarHBondContact N-O 3.46Å; L140-L177 VanDerWaalsContact N-O 3.08Å; L140-W178 HydrophobicContact CG-CG 4.39Å; L140-W178 WeakPolarHBondContact O-CA 3.29Å; L140-V179 PolarHBondContact O-N 3.48Å; L140-L615 WeakPolarHBondContact CB-O 3.43Å
141	C	94.9	Very high	92.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	149	169.4	50.2	0	0	0	0	110.9	F593 M597	C141-F593 HydrophobicContact CB-CD1 3.72Å; C141-F593 HydrophobicContact CB-CE1 3.58Å; C141-M597 HydrophobicContact CB-CE 3.94Å; C141-M597 HydrophobicContact CB-SD 3.55Å; C141-M597 VanDerWaalsContact CB-SD 3.55Å
142	I	94.8	Very high	92.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.194	C	C	.	.			trans	-67.6	139.4	158.7	-162.3	171.2	0	0	0	108.6	P144 V159 V179 L232 L239	I142-P144 WeakPolarHBondContact O-CD 3.43Å; I142-V159 HydrophobicContact CD1-CG2 4.08Å; I142-V179 WeakPolarHBondContact CG2-O 3.41Å; I142-V179 PolarHBondContact N-O 3.08Å; I142-V179 VanDerWaalsContact N-O 3.15Å; I142-L232 HydrophobicContact CD1-CD1 4.1Å; I142-L232 HydrophobicContact CD1-CD2 3.86Å; I142-L239 HydrophobicContact CB-CD2 4.44Å; I142-L239 HydrophobicContact CD1-CD1 4.48Å
143	P	95.1	Very high	92.9	Very high	19 Å²	19	35.8 Å²	35.8	12%	0.123	19%	0.185	C	C	.	.			trans	-56.1	110.1	162.4	-21.7	31.2	0	0	0	108.1	P145 T158 Q162 W626	P143-P145 WeakPolarHBondContact O-CD 3.39Å; P143-P145 VanDerWaalsContact O-N 3.09Å; P143-T158 HydrophobicContact CG-CG2 3.94Å; P143-Q162 VanDerWaalsContact CD-NE2 3.3Å; P143-W626 VanDerWaalsContact CA-CH2 3.41Å; P143-W626 HydrophobicContact CB-CE3 4.4Å; P143-W626 HydrophobicContact CB-CH2 3.8Å; P143-W626 HydrophobicContact CB-CZ3 3.54Å; P143-W626 HydrophobicContact CG-CH2 4.09Å; P143-W626 HydrophobicContact CG-CZ3 3.73Å
144	P	93.6	Very high	92.7	Very high	12 Å²	12	29 Å²	29	8%	0.078	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-64.2	116.1	-167.4	24.9	-33.5	0	0	0	109	I142 N146 G181 D183 F593	I142-P144 WeakPolarHBondContact O-CD 3.43Å; P144-N146 PolarHBondContact O-N 3.45Å; P144-G181 WeakPolarHBondContact CA-O 3.44Å; P144-D183 HydrophobicContact CB-CB 4.1Å; P144-D183 HydrophobicContact CG-CB 4.13Å; P144-F593 HydrophobicContact CB-CD2 4.3Å; P144-F593 HydrophobicContact CB-CE2 3.83Å; P144-F593 HydrophobicContact CB-CZ 4.19Å; P144-F593 HydrophobicContact CG-CD2 3.9Å; P144-F593 HydrophobicContact CG-CE2 3.94Å; P144-F593 HydrophobicContact CG-CG 4.37Å; P144-F593 HydrophobicContact CG-CZ 4.45Å
145	P	93.8	Very high	92.7	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.039	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-65.2	139.9	-176.7	-22.4	35.2	0	0	0	111.3	P143 L151 G181 D183 I228	P143-P145 WeakPolarHBondContact O-CD 3.39Å; P143-P145 VanDerWaalsContact O-N 3.09Å; P145-L151 HydrophobicContact CB-CD2 3.69Å; P145-L151 HydrophobicContact CG-CD2 3.96Å; P145-G181 WeakPolarHBondContact CD-O 3.44Å; P145-D183 PolarHBondContact O-N 3.05Å; P145-I228 HydrophobicContact CB-CD1 4.43Å; P145-I228 HydrophobicContact CB-CG2 4.15Å; P145-I228 HydrophobicContact CG-CG2 4.14Å
146	N	92.1	Very high	92.8	Very high	61 Å²	61	21.3 Å²	21.3	33%	0.326	12%	0.119	S	C	.	.	B	Isolated β-bridge	trans	-67.4	132.8	178.7	-63.2	23.3	0	0	0	110.4	P144 T148 A185	P144-N146 PolarHBondContact O-N 3.45Å; N146-T148 HydrophobicContact CB-CG2 3.98Å; N146-T148 PolarHBondContact O-N 3.05Å; N146-T148 PolarHBondContact O-OG1 3Å; N146-A185 HydrophobicContact CB-CB 3.57Å
147	V	89.9	Confident	92.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-72.5	50.4	176.7	-62	0	0	0	0	113.6	C182 D183 T189 W220 K221 F246	V147-C182 HydrophobicContact CG1-CB 3.89Å; V147-D183 WeakPolarHBondContact CG2-O 3.22Å; V147-D183 PolarHBondContact N-O 3.3Å; V147-T189 HydrophobicContact CG2-CG2 4.06Å; V147-T189 WeakPolarHBondContact CG2-OG1 3.32Å; V147-W220 PolarHBondContact O-NE1 3.27Å; V147-K221 HydrophobicContact CG1-CG 4.34Å; V147-K221 HydrophobicContact CG2-CG 4.33Å; V147-F246 HydrophobicContact CG1-CE2 4.19Å; V147-F246 HydrophobicContact CG2-CE2 4.38Å
148	T	82.3	Confident	92.8	Very high	26 Å²	26	14.9 Å²	14.9	16%	0.16	9%	0.087	C	C	.	.	S	Bend	trans	-110.1	4.7	-174.3	56.1	0	0	0	0	113.1	N146 A185 A188 K662	N146-T148 HydrophobicContact CB-CG2 3.98Å; N146-T148 PolarHBondContact O-N 3.05Å; N146-T148 PolarHBondContact O-OG1 3Å; T148-A185 HydrophobicContact CG2-CB 4.19Å; T148-A188 HydrophobicContact CG2-CB 3.8Å; T148-K662 PolarHBondContact O-NZ 3.48Å; T148-K662 PolarHBondContact OG1-NZ 3.31Å
149	G	81.3	Confident	92.8	Very high	11 Å²	11	14.4 Å²	14.4	11%	0.113	9%	0.086	C	C	.	.	S	Bend	trans	143.3	-154.8	-177.3	0	0	0	0	0	111.1
150	T	87.1	Confident	92.8	Very high	37 Å²	37	14.4 Å²	14.4	23%	0.227	9%	0.085	C	C	.	.			trans	-79.8	162.7	-179.5	54.2	0	0	0	0	113.5	E227 K662	T150-E227 HydrophobicContact CG2-CG 4.07Å; T150-E227 WeakPolarHBondContact CG2-OE1 3.43Å; T150-K662 WeakPolarHBondContact O-CE 3.39Å; T150-K662 PolarHBondContact O-NZ 3.12Å
151	L	92.7	Very high	92.9	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.016	9%	0.086	C	C	.	.			trans	-67.6	163	166.9	-58.9	-173.6	0	0	0	111.4	P145 H155 I228 Q231 L232 P670	P145-L151 HydrophobicContact CB-CD2 3.69Å; P145-L151 HydrophobicContact CG-CD2 3.96Å; L151-H155 HydrophobicContact CB-CB 4.09Å; L151-H155 HydrophobicContact CD1-CB 4.36Å; L151-H155 HydrophobicContact CD2-CB 4Å; L151-H155 HydrophobicContact CG-CB 4.39Å; L151-I228 HydrophobicContact CD1-CG2 4.35Å; L151-I228 HydrophobicContact CD2-CG1 4.21Å; L151-I228 HydrophobicContact CD2-CG2 4.03Å; L151-I228 HydrophobicContact CG-CG1 4.39Å; L151-I228 HydrophobicContact CG-CG2 4.28Å; L151-Q231 HydrophobicContact CD1-CB 3.84Å; L151-Q231 HydrophobicContact CG-CB 4.25Å; L151-L232 HydrophobicContact CD1-CD2 3.67Å; L151-L232 HydrophobicContact CD1-CG 3.93Å; L151-P670 HydrophobicContact CB-CG 4.33Å; L151-P670 WeakPolarHBondContact O-CD 3.02Å
152	H	91.8	Very high	93.1	Very high	35 Å²	35	14.4 Å²	14.4	16%	0.162	9%	0.086	C	C	.	.			trans	-137.3	172.1	177.1	59.1	52.8	0	0	0	110.2	G154 H155 A156 V667 I668	H152-G154 WeakPolarHBondContact ND1-CA 3.44Å; H152-G154 PolarHBondContact ND1-N 3.06Å; H152-G154 PolarHBondContact O-N 3.26Å; H152-H155 AromaticContact CD2-CE1 3.6Å; H152-H155 AromaticContact CD2-ND1 3.59Å; H152-H155 AromaticContact CE1-CE1 3.42Å; H152-H155 PolarHBondContact CE1-CE1 3.13Å; H152-H155 VanDerWaalsContact CE1-CE1 3.42Å; H152-H155 AromaticContact CE1-ND1 3.22Å; H152-H155 PolarHBondContact CE1-ND1 3.44Å; H152-H155 AromaticContact CG-CE1 3.97Å; H152-H155 AromaticContact CG-ND1 3.47Å; H152-H155 PolarHBondContact N-ND1 3.46Å; H152-H155 AromaticContact ND1-CE1 3.85Å; H152-H155 PolarHBondContact ND1-N 3.16Å; H152-H155 AromaticContact ND1-ND1 3.23Å; H152-H155 PolarHBondContact ND1-ND1 3.15Å; H152-H155 AromaticContact NE2-CE1 3.24Å; H152-H155 PolarHBondContact NE2-CE1 2.67Å; H152-H155 AromaticContact NE2-ND1 3.45Å; H152-H155 PolarHBondContact NE2-ND1 3.42Å; H152-H155 WeakPolarHBondContact O-CA 3.3Å; H152-H155 WeakPolarHBondContact O-CB 3.25Å; H152-H155 PolarHBondContact O-N 3.26Å; H152-A156 PolarHBondContact O-N 2.98Å; H152-V667 HydrophobicContact CB-CB 3.95Å; H152-V667 HydrophobicContact CB-CG1 4.04Å; H152-I668 CarbonylContact C-O 3.54Å; H152-I668 VanDerWaalsContact CA-O 3.24Å; H152-I668 WeakPolarHBondContact CA-O 3.37Å
153	L	92.6	Very high	93.2	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-52.9	-30.3	-178.1	-64.8	177.7	0	0	0	115.4	H155 A156 L157 V652 M660 I668 V673 L719 L735	L153-H155 PolarHBondContact O-N 2.83Å; L153-A156 WeakPolarHBondContact O-CB 3.27Å; L153-A156 PolarHBondContact O-N 2.83Å; L153-L157 PolarHBondContact O-N 3.15Å; L153-V652 HydrophobicContact CB-CG1 4.33Å; L153-M660 HydrophobicContact CB-SD 4.03Å; L153-M660 HydrophobicContact CD1-CE 4.02Å; L153-M660 HydrophobicContact CD1-SD 4.17Å; L153-I668 HydrophobicContact CD1-CB 3.82Å; L153-I668 HydrophobicContact CD1-CD1 4.18Å; L153-I668 HydrophobicContact CD1-CG2 4.12Å; L153-I668 HydrophobicContact CG-CB 4.06Å; L153-I668 HydrophobicContact CG-CG2 4.32Å; L153-I668 PolarHBondContact N-O 2.85Å; L153-I668 VanDerWaalsContact N-O 3.1Å; L153-V673 HydrophobicContact CD2-CG2 4.21Å; L153-L719 HydrophobicContact CD2-CD1 3.88Å; L153-L719 HydrophobicContact CD2-CD2 4.32Å; L153-L735 HydrophobicContact CD1-CD2 3.86Å; L153-L735 HydrophobicContact CD2-CD2 4.42Å
154	G	91.8	Very high	93.4	Very high	14 Å²	14	13.3 Å²	13.3	14%	0.144	8%	0.079	C	C	.	.	H	α-helix	trans	-57.9	-41.8	169.3	0	0	0	0	0	114.4	H152 L157 T158	H152-G154 WeakPolarHBondContact ND1-CA 3.44Å; H152-G154 PolarHBondContact ND1-N 3.06Å; H152-G154 PolarHBondContact O-N 3.26Å; G154-L157 WeakPolarHBondContact O-CB 3.31Å; G154-L157 PolarHBondContact O-N 2.98Å; G154-T158 PolarHBondContact O-N 3.02Å; G154-T158 PolarHBondContact O-OG1 3.32Å
155	H	94.8	Very high	93.6	Very high	48 Å²	48	12.8 Å²	12.8	22%	0.222	8%	0.075	C	C	.	.	H	α-helix	trans	-70.4	-36.5	174	-59.4	98.6	0	0	0	111.2	L151 H152 L153 L157 T158 V159	L151-H155 HydrophobicContact CB-CB 4.09Å; L151-H155 HydrophobicContact CD1-CB 4.36Å; L151-H155 HydrophobicContact CD2-CB 4Å; L151-H155 HydrophobicContact CG-CB 4.39Å; H152-H155 AromaticContact CD2-CE1 3.6Å; H152-H155 AromaticContact CD2-ND1 3.59Å; H152-H155 AromaticContact CE1-CE1 3.42Å; H152-H155 PolarHBondContact CE1-CE1 3.13Å; H152-H155 VanDerWaalsContact CE1-CE1 3.42Å; H152-H155 AromaticContact CE1-ND1 3.22Å; H152-H155 PolarHBondContact CE1-ND1 3.44Å; H152-H155 AromaticContact CG-CE1 3.97Å; H152-H155 AromaticContact CG-ND1 3.47Å; H152-H155 PolarHBondContact N-ND1 3.46Å; H152-H155 AromaticContact ND1-CE1 3.85Å; H152-H155 PolarHBondContact ND1-N 3.16Å; H152-H155 AromaticContact ND1-ND1 3.23Å; H152-H155 PolarHBondContact ND1-ND1 3.15Å; H152-H155 AromaticContact NE2-CE1 3.24Å; H152-H155 PolarHBondContact NE2-CE1 2.67Å; H152-H155 AromaticContact NE2-ND1 3.45Å; H152-H155 PolarHBondContact NE2-ND1 3.42Å; H152-H155 WeakPolarHBondContact O-CA 3.3Å; H152-H155 WeakPolarHBondContact O-CB 3.25Å; H152-H155 PolarHBondContact O-N 3.26Å; L153-H155 PolarHBondContact O-N 2.83Å; H155-L157 VanDerWaalsContact C-N 3.26Å; H155-L157 PolarHBondContact O-N 3.34Å; H155-T158 PolarHBondContact O-N 2.87Å; H155-V159 VanDerWaalsContact O-CG2 3.3Å; H155-V159 WeakPolarHBondContact O-CG2 3.43Å; H155-V159 PolarHBondContact O-N 3.35Å
156	A	96.1	Very high	93.8	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-62.4	-34.7	175.6	0	0	0	0	0	112	H152 L153 A160 L235 P670 L723	H152-A156 PolarHBondContact O-N 2.98Å; L153-A156 WeakPolarHBondContact O-CB 3.27Å; L153-A156 PolarHBondContact O-N 2.83Å; A156-A160 VanDerWaalsContact O-CB 3.24Å; A156-A160 WeakPolarHBondContact O-CB 3.36Å; A156-A160 PolarHBondContact O-N 3.01Å; A156-L235 HydrophobicContact CB-CD1 4.13Å; A156-L235 HydrophobicContact CB-CD2 3.98Å; A156-P670 HydrophobicContact CB-CB 4.08Å; A156-L723 HydrophobicContact CB-CD1 3.79Å
157	L	96.1	Very high	94.1	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-62.1	-54.7	172.8	176.5	63.1	0	0	0	111	L153 G154 H155 V159 A160 V161 H649 S650 V652 L723 I733	L153-L157 PolarHBondContact O-N 3.15Å; G154-L157 WeakPolarHBondContact O-CB 3.31Å; G154-L157 PolarHBondContact O-N 2.98Å; H155-L157 VanDerWaalsContact C-N 3.26Å; H155-L157 PolarHBondContact O-N 3.34Å; L157-V159 VanDerWaalsContact C-N 3.28Å; L157-V159 PolarHBondContact O-N 3.1Å; L157-A160 PolarHBondContact O-N 2.85Å; L157-A160 VanDerWaalsContact O-N 3.09Å; L157-V161 HydrophobicContact CD1-CG2 3.97Å; L157-V161 HydrophobicContact CG-CG2 4.44Å; L157-V161 WeakPolarHBondContact O-CG2 3.3Å; L157-V161 PolarHBondContact O-N 2.64Å; L157-H649 WeakPolarHBondContact CD2-ND1 3.49Å; L157-S650 WeakPolarHBondContact CD2-O 3.04Å; L157-V652 HydrophobicContact CB-CG2 4.05Å; L157-V652 HydrophobicContact CD2-CG2 3.7Å; L157-L723 HydrophobicContact CB-CD2 4.21Å; L157-L723 HydrophobicContact CD1-CB 3.99Å; L157-L723 HydrophobicContact CD1-CD2 4.44Å; L157-I733 HydrophobicContact CD1-CD1 4.35Å; L157-I733 HydrophobicContact CD2-CD1 3.55Å
158	T	96.5	Very high	94.6	Very high	17 Å²	17	9.8 Å²	9.8	10%	0.104	6%	0.058	C	C	.	.	H	α-helix	trans	-51.8	-49.2	177.1	-54.2	0	0	0	0	110.7	P143 G154 H155 A160 V161 Q162 E617 H649	P143-T158 HydrophobicContact CG-CG2 3.94Å; G154-T158 PolarHBondContact O-N 3.02Å; G154-T158 PolarHBondContact O-OG1 3.32Å; H155-T158 PolarHBondContact O-N 2.87Å; T158-A160 PolarHBondContact O-N 3.02Å; T158-V161 PolarHBondContact O-N 2.94Å; T158-Q162 HydrophobicContact CG2-CG 4.49Å; T158-Q162 WeakPolarHBondContact O-CB 3.43Å; T158-Q162 VanDerWaalsContact O-CG 3.29Å; T158-Q162 WeakPolarHBondContact O-CG 3.01Å; T158-Q162 PolarHBondContact O-N 3.47Å; T158-E617 WeakPolarHBondContact CG2-OE2 3.38Å; T158-H649 PolarHBondContact OG1-CE1 2.79Å; T158-H649 PolarHBondContact OG1-NE2 3.3Å
159	V	97.8	Very high	95.3	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.012	6%	0.056	C	C	.	.	H	α-helix	trans	-62.2	-44.1	178.1	170.8	0	0	0	0	111.9	I142 H155 L157 V161 D163 W178 L232 L235 A237	I142-V159 HydrophobicContact CD1-CG2 4.08Å; H155-V159 VanDerWaalsContact O-CG2 3.3Å; H155-V159 WeakPolarHBondContact O-CG2 3.43Å; H155-V159 PolarHBondContact O-N 3.35Å; L157-V159 VanDerWaalsContact C-N 3.28Å; L157-V159 PolarHBondContact O-N 3.1Å; V159-V161 PolarHBondContact O-N 3.01Å; V159-D163 WeakPolarHBondContact O-CB 3.37Å; V159-D163 PolarHBondContact O-N 3.36Å; V159-W178 HydrophobicContact CG1-CH2 4.24Å; V159-L232 HydrophobicContact CG2-CD2 3.46Å; V159-L232 VanDerWaalsContact CG2-CD2 3.46Å; V159-L235 HydrophobicContact CB-CD1 4.3Å; V159-L235 HydrophobicContact CG1-CB 4.01Å; V159-L235 HydrophobicContact CG1-CD1 4.19Å; V159-L235 HydrophobicContact CG2-CD1 4.36Å; V159-A237 HydrophobicContact CG1-CB 3.75Å
160	A	98.1	Very high	96.1	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.008	5%	0.051	C	C	.	.	H	α-helix	trans	-64.5	-40.1	-179.2	0	0	0	0	0	112.1	A156 L157 T158 A164 R720 L723	A156-A160 VanDerWaalsContact O-CB 3.24Å; A156-A160 WeakPolarHBondContact O-CB 3.36Å; A156-A160 PolarHBondContact O-N 3.01Å; L157-A160 PolarHBondContact O-N 2.85Å; L157-A160 VanDerWaalsContact O-N 3.09Å; T158-A160 PolarHBondContact O-N 3.02Å; A160-A164 VanDerWaalsContact O-CB 3.29Å; A160-A164 WeakPolarHBondContact O-CB 3.2Å; A160-A164 PolarHBondContact O-N 3.37Å; A160-A164 VanDerWaalsContact O-N 3.09Å; A160-R720 HydrophobicContact CB-CB 4.26Å; A160-R720 HydrophobicContact CB-CG 4.24Å; A160-L723 HydrophobicContact CB-CB 4.43Å; A160-L723 HydrophobicContact CB-CD1 4.49Å
161	V	97.9	Very high	96.5	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-67.7	-54.2	177.5	173	0	0	0	0	110.6	L157 T158 V159 D163 A164 L165 E617 M728 L803	L157-V161 HydrophobicContact CD1-CG2 3.97Å; L157-V161 HydrophobicContact CG-CG2 4.44Å; L157-V161 WeakPolarHBondContact O-CG2 3.3Å; L157-V161 PolarHBondContact O-N 2.64Å; T158-V161 PolarHBondContact O-N 2.94Å; V159-V161 PolarHBondContact O-N 3.01Å; V161-D163 VanDerWaalsContact C-N 3.35Å; V161-D163 PolarHBondContact O-N 2.88Å; V161-A164 PolarHBondContact O-N 2.93Å; V161-L165 HydrophobicContact CG1-CD1 4.34Å; V161-L165 WeakPolarHBondContact O-CG 3.4Å; V161-L165 PolarHBondContact O-N 2.86Å; V161-L165 VanDerWaalsContact O-N 3.13Å; V161-E617 HydrophobicContact CG1-CG 3.85Å; V161-E617 VanDerWaalsContact CG1-OE1 3.3Å; V161-E617 WeakPolarHBondContact CG1-OE1 3.28Å; V161-M728 HydrophobicContact CB-SD 4.3Å; V161-M728 HydrophobicContact CG1-CE 4.02Å; V161-M728 HydrophobicContact CG1-SD 3.69Å; V161-M728 HydrophobicContact CG2-SD 3.54Å; V161-M728 VanDerWaalsContact CG2-SD 3.54Å; V161-L803 HydrophobicContact CB-CD1 4.21Å; V161-L803 HydrophobicContact CG1-CD1 3.87Å; V161-L803 HydrophobicContact CG2-CD1 4.21Å
162	Q	98.4	Very high	96.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.1	-45.5	-179.7	-69.1	-173.7	-2.8	0	0	111.5	L140 P143 T158 A164 L165 V166 W178 E617	L140-Q162 HydrophobicContact CD1-CB 4.22Å; L140-Q162 HydrophobicContact CD1-CG 3.97Å; P143-Q162 VanDerWaalsContact CD-NE2 3.3Å; T158-Q162 HydrophobicContact CG2-CG 4.49Å; T158-Q162 WeakPolarHBondContact O-CB 3.43Å; T158-Q162 VanDerWaalsContact O-CG 3.29Å; T158-Q162 WeakPolarHBondContact O-CG 3.01Å; T158-Q162 PolarHBondContact O-N 3.47Å; Q162-A164 VanDerWaalsContact C-N 3.33Å; Q162-A164 PolarHBondContact O-N 2.81Å; Q162-L165 PolarHBondContact O-N 2.72Å; Q162-V166 VanDerWaalsContact O-CG2 3.32Å; Q162-V166 WeakPolarHBondContact O-CG2 3.44Å; Q162-V166 PolarHBondContact O-N 3.33Å; Q162-W178 HydrophobicContact CB-CH2 4.02Å; Q162-W178 HydrophobicContact CB-CZ2 3.43Å; Q162-W178 VanDerWaalsContact CB-CZ2 3.43Å; Q162-W178 HydrophobicContact CG-CZ2 4.36Å; Q162-W178 VanDerWaalsContact OE1-CE2 3.29Å; Q162-W178 VanDerWaalsContact OE1-CZ2 3.23Å; Q162-E617 HydrophobicContact CG-CB 4.01Å; Q162-E617 HydrophobicContact CG-CG 4.23Å; Q162-E617 WeakPolarHBondContact CG-OE2 3.45Å; Q162-E617 PolarHBondContact NE2-O 3.32Å; Q162-E617 PolarHBondContact NE2-OE2 2.93Å
163	D	98.6	Very high	96.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.6	-33.9	-178.9	-162.5	50.1	0	0	0	112.8	V159 V161 V166 R167 W178 G236 S238 R720	V159-D163 WeakPolarHBondContact O-CB 3.37Å; V159-D163 PolarHBondContact O-N 3.36Å; V161-D163 VanDerWaalsContact C-N 3.35Å; V161-D163 PolarHBondContact O-N 2.88Å; D163-V166 VanDerWaalsContact CA-CG2 3.48Å; D163-V166 HydrophobicContact CB-CG2 4.45Å; D163-V166 WeakPolarHBondContact O-CG2 3.47Å; D163-R167 VanDerWaalsContact O-CB 3.26Å; D163-R167 WeakPolarHBondContact O-CB 3.47Å; D163-R167 WeakPolarHBondContact O-CG 3.34Å; D163-R167 PolarHBondContact O-N 3.35Å; D163-R167 IonicContact OD1-NE 3.97Å; D163-R167 PolarHBondContact OD1-NE 3.2Å; D163-R167 IonicContact OD2-CZ 3.77Å; D163-R167 IonicContact OD2-NE 3.46Å; D163-R167 PolarHBondContact OD2-NE 3.42Å; D163-R167 IonicContact OD2-NH2 3.28Å; D163-W178 HydrophobicContact CB-CH2 3.77Å; D163-W178 HydrophobicContact CB-CZ3 3.59Å; D163-W178 VanDerWaalsContact OD1-CZ3 3.29Å; D163-W178 WeakPolarHBondContact OD1-CZ3 3.34Å; D163-G236 VanDerWaalsContact OD2-O 3.09Å; D163-S238 WeakPolarHBondContact OD1-CA 3.43Å; D163-S238 WeakPolarHBondContact OD1-CB 3.27Å; D163-S238 PolarHBondContact OD1-N 2.73Å; D163-S238 PolarHBondContact OD1-OG 3.48Å; D163-R720 IonicContact OD2-CZ 3.27Å; D163-R720 IonicContact OD2-NH1 2.8Å; D163-R720 PolarHBondContact OD2-NH1 3.02Å; D163-R720 IonicContact OD2-NH2 3.98Å; D163-R720 PolarHBondContact OD2-NH2 3.26Å
164	A	98.6	Very high	97.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.8	-44.9	172.6	0	0	0	0	0	111.4	A160 V161 Q162 W168 L803 P864 F865	A160-A164 VanDerWaalsContact O-CB 3.29Å; A160-A164 WeakPolarHBondContact O-CB 3.2Å; A160-A164 PolarHBondContact O-N 3.37Å; A160-A164 VanDerWaalsContact O-N 3.09Å; V161-A164 PolarHBondContact O-N 2.93Å; Q162-A164 VanDerWaalsContact C-N 3.33Å; Q162-A164 PolarHBondContact O-N 2.81Å; A164-W168 VanDerWaalsContact O-CB 3.26Å; A164-W168 WeakPolarHBondContact O-CB 3.37Å; A164-W168 PolarHBondContact O-N 2.97Å; A164-L803 HydrophobicContact CB-CD1 4.26Å; A164-P864 WeakPolarHBondContact CA-O 3.24Å; A164-P864 HydrophobicContact CB-CB 4.24Å; A164-F865 HydrophobicContact CB-CD1 3.91Å; A164-F865 HydrophobicContact CB-CE1 3.72Å; A164-F865 HydrophobicContact CB-CZ 4.36Å
165	L	98.5	Very high	97.4	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-65.7	-44.4	178.2	-64.6	174.4	0	0	0	111.9	F138 V161 Q162 W168 R169 L615 L647 F798 Y801 L803	F138-L165 HydrophobicContact CE1-CB 4.49Å; F138-L165 HydrophobicContact CZ-CB 4.47Å; V161-L165 HydrophobicContact CG1-CD1 4.34Å; V161-L165 WeakPolarHBondContact O-CG 3.4Å; V161-L165 PolarHBondContact O-N 2.86Å; V161-L165 VanDerWaalsContact O-N 3.13Å; Q162-L165 PolarHBondContact O-N 2.72Å; L165-W168 PolarHBondContact O-N 3.2Å; L165-R169 WeakPolarHBondContact O-CG 3.23Å; L165-R169 PolarHBondContact O-N 3.38Å; L165-L615 HydrophobicContact CD1-CD2 3.78Å; L165-L647 HydrophobicContact CD1-CD2 4.16Å; L165-F798 HydrophobicContact CD2-CD1 4.3Å; L165-Y801 HydrophobicContact CD1-CD1 4.15Å; L165-Y801 HydrophobicContact CD1-CE1 4.36Å; L165-Y801 HydrophobicContact CD2-CD1 3.99Å; L165-Y801 HydrophobicContact CD2-CE1 4.32Å; L165-L803 HydrophobicContact CD2-CD2 4.11Å
166	V	98.1	Very high	97.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-68.8	-39.6	-179.4	-66.7	0	0	0	0	112.6	F138 L140 Q162 D163 R170 V176 W178	F138-V166 HydrophobicContact CD1-CG1 4.18Å; F138-V166 HydrophobicContact CE1-CG1 3.92Å; L140-V166 HydrophobicContact CD2-CG1 3.44Å; L140-V166 VanDerWaalsContact CD2-CG1 3.44Å; L140-V166 HydrophobicContact CG-CG1 4.45Å; Q162-V166 VanDerWaalsContact O-CG2 3.32Å; Q162-V166 WeakPolarHBondContact O-CG2 3.44Å; Q162-V166 PolarHBondContact O-N 3.33Å; D163-V166 VanDerWaalsContact CA-CG2 3.48Å; D163-V166 HydrophobicContact CB-CG2 4.45Å; D163-V166 WeakPolarHBondContact O-CG2 3.47Å; V166-R170 WeakPolarHBondContact O-CB 3.44Å; V166-R170 PolarHBondContact O-N 3.21Å; V166-V176 HydrophobicContact CB-CG1 3.72Å; V166-V176 HydrophobicContact CG1-CG1 3.86Å; V166-W178 HydrophobicContact CG1-CB 4.02Å; V166-W178 HydrophobicContact CG1-CD2 4.37Å; V166-W178 HydrophobicContact CG1-CG 4.17Å; V166-W178 HydrophobicContact CG2-CD2 4.2Å; V166-W178 HydrophobicContact CG2-CE3 3.59Å; V166-W178 HydrophobicContact CG2-CZ3 4.07Å
167	R	98.4	Very high	97.6	Very high	1 Å²	1	6.4 Å²	6.4	0%	0.004	3%	0.029	C	C	.	.	H	α-helix	trans	-64.6	-44	175.1	-74.4	176.4	-178.1	-90.3	0.1	110.9	D163 R170 M171 G236 P864 P867	D163-R167 VanDerWaalsContact O-CB 3.26Å; D163-R167 WeakPolarHBondContact O-CB 3.47Å; D163-R167 WeakPolarHBondContact O-CG 3.34Å; D163-R167 PolarHBondContact O-N 3.35Å; D163-R167 IonicContact OD1-NE 3.97Å; D163-R167 PolarHBondContact OD1-NE 3.2Å; D163-R167 IonicContact OD2-CZ 3.77Å; D163-R167 IonicContact OD2-NE 3.46Å; D163-R167 PolarHBondContact OD2-NE 3.42Å; D163-R167 IonicContact OD2-NH2 3.28Å; R167-R170 PolarHBondContact O-N 2.97Å; R167-M171 WeakPolarHBondContact O-CB 3.35Å; R167-M171 WeakPolarHBondContact O-CG 3.42Å; R167-M171 PolarHBondContact O-N 3.4Å; R167-G236 PolarHBondContact NH2-O 3.12Å; R167-P864 HydrophobicContact CB-CB 4.18Å; R167-P864 HydrophobicContact CB-CG 4.44Å; R167-P867 VanDerWaalsContact CZ-CB 3.48Å
168	W	98.4	Very high	97.7	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.008	3%	0.029	C	C	.	.	H	α-helix	trans	-61.1	-49.3	177.4	171.7	65.6	0	0	0	112.1	A164 L165 R170 M171 Q172 F798 E799 P864 Y895	A164-W168 VanDerWaalsContact O-CB 3.26Å; A164-W168 WeakPolarHBondContact O-CB 3.37Å; A164-W168 PolarHBondContact O-N 2.97Å; L165-W168 PolarHBondContact O-N 3.2Å; W168-R170 PolarHBondContact O-N 3.02Å; W168-M171 PolarHBondContact O-N 2.91Å; W168-Q172 VanDerWaalsContact CZ2-NE2 3.25Å; W168-Q172 WeakPolarHBondContact O-CG 3.38Å; W168-Q172 PolarHBondContact O-N 3.26Å; W168-F798 HydrophobicContact CB-CD1 4.31Å; W168-F798 HydrophobicContact CB-CE1 3.98Å; W168-F798 HydrophobicContact CB-CZ 4.13Å; W168-F798 AromaticContact CD1-CD2 3.89Å; W168-F798 HydrophobicContact CD2-CB 3.9Å; W168-F798 AromaticContact CD2-CD1 3.84Å; W168-F798 HydrophobicContact CD2-CD1 3.84Å; W168-F798 HydrophobicContact CD2-CD2 4.27Å; W168-F798 HydrophobicContact CD2-CE1 4.4Å; W168-F798 AromaticContact CD2-CG 3.78Å; W168-F798 HydrophobicContact CD2-CG 3.78Å; W168-F798 AromaticContact CE2-CG 3.8Å; W168-F798 HydrophobicContact CE3-CB 4.07Å; W168-F798 AromaticContact CE3-CD1 3.95Å; W168-F798 HydrophobicContact CE3-CD1 3.95Å; W168-F798 HydrophobicContact CE3-CG 4.17Å; W168-F798 HydrophobicContact CG-CD1 4Å; W168-F798 HydrophobicContact CG-CD2 4.15Å; W168-F798 HydrophobicContact CG-CE1 4.1Å; W168-F798 HydrophobicContact CG-CE2 4.23Å; W168-F798 HydrophobicContact CG-CG 4.04Å; W168-F798 HydrophobicContact CG-CZ 4.21Å; W168-F798 HydrophobicContact CH2-CB 3.62Å; W168-F798 HydrophobicContact CZ2-CB 3.46Å; W168-F798 VanDerWaalsContact CZ2-CB 3.46Å; W168-F798 HydrophobicContact CZ2-CG 4.21Å; W168-F798 HydrophobicContact CZ3-CB 3.93Å; W168-F798 HydrophobicContact CZ3-CD1 4.49Å; W168-F798 AromaticContact NE1-CD2 3.86Å; W168-E799 VanDerWaalsContact CH2-CD 3.47Å; W168-E799 HydrophobicContact CH2-CG 4.01Å; W168-E799 VanDerWaalsContact CH2-OE1 3.25Å; W168-E799 WeakPolarHBondContact CH2-OE1 3.31Å; W168-E799 HydrophobicContact CZ2-CG 4.32Å; W168-P864 HydrophobicContact CB-CG 4.24Å; W168-Y895 AromaticContact CD1-CD1 3.78Å; W168-Y895 AromaticContact CD1-CD2 3.96Å; W168-Y895 AromaticContact CD1-CE1 3.84Å; W168-Y895 AromaticContact CD1-CG 3.84Å; W168-Y895 AromaticContact CD1-CZ 3.98Å; W168-Y895 AromaticContact NE1-CD1 3.89Å; W168-Y895 AromaticContact NE1-CE1 3.97Å
169	R	97.9	Very high	97.7	Very high	28 Å²	28	5.7 Å²	5.7	11%	0.106	2%	0.024	C	C	.	.	H	α-helix	trans	-63	-38.4	175.7	-68.9	-61.7	-169.3	-158.5	-2.9	112.4	F138 L165 Q172 G173 H174 V176 E799	F138-R169 HydrophobicContact CB-CB 4.13Å; F138-R169 HydrophobicContact CB-CG 4.31Å; F138-R169 HydrophobicContact CD1-CB 4.01Å; F138-R169 HydrophobicContact CD1-CG 3.92Å; F138-R169 HydrophobicContact CD2-CG 3.91Å; F138-R169 HydrophobicContact CE1-CG 4.17Å; F138-R169 HydrophobicContact CE2-CG 4.18Å; F138-R169 HydrophobicContact CG-CB 4.01Å; F138-R169 HydrophobicContact CG-CG 3.78Å; F138-R169 HydrophobicContact CZ-CG 4.3Å; L165-R169 WeakPolarHBondContact O-CG 3.23Å; L165-R169 PolarHBondContact O-N 3.38Å; R169-Q172 WeakPolarHBondContact O-CB 3.4Å; R169-Q172 PolarHBondContact O-N 2.65Å; R169-Q172 VanDerWaalsContact O-N 3.14Å; R169-G173 PolarHBondContact O-N 3.04Å; R169-H174 HydrophobicContact CB-CB 4.26Å; R169-H174 VanDerWaalsContact O-CB 3.3Å; R169-H174 WeakPolarHBondContact O-CB 3.45Å; R169-H174 PolarHBondContact O-CD2 2.83Å; R169-H174 VanDerWaalsContact O-CD2 3.25Å; R169-H174 PolarHBondContact O-N 3.43Å; R169-H174 VanDerWaalsContact O-N 3.08Å; R169-V176 HydrophobicContact CB-CG2 4.03Å; R169-E799 IonicContact CZ-OE1 3.96Å; R169-E799 IonicContact CZ-OE2 3.14Å; R169-E799 IonicContact NH1-OE1 2.69Å; R169-E799 PolarHBondContact NH1-OE1 3.46Å; R169-E799 IonicContact NH1-OE2 3.12Å; R169-E799 IonicContact NH2-OE1 3.32Å; R169-E799 IonicContact NH2-OE2 2.66Å; R169-E799 PolarHBondContact NH2-OE2 3.44Å
170	R	97.4	Very high	97.6	Very high	1 Å²	1	5.6 Å²	5.6	0%	0.004	2%	0.023	C	C	.	.	H	α-helix	trans	-61.1	-47.3	175.6	-175.3	-173.5	-65.8	135	3.3	111	H127 V166 R167 W168 Q172 G173 V176 S238 C891 L892	H127-R170 PolarHBondContact CE1-NE 2.93Å; H127-R170 VanDerWaalsContact NE2-CD 3.32Å; H127-R170 WeakPolarHBondContact NE2-CD 3.44Å; H127-R170 PolarHBondContact NE2-NE 2.83Å; V166-R170 WeakPolarHBondContact O-CB 3.44Å; V166-R170 PolarHBondContact O-N 3.21Å; R167-R170 PolarHBondContact O-N 2.97Å; W168-R170 PolarHBondContact O-N 3.02Å; R170-Q172 PolarHBondContact O-N 3.2Å; R170-G173 WeakPolarHBondContact O-CA 3.2Å; R170-G173 PolarHBondContact O-N 2.9Å; R170-V176 HydrophobicContact CB-CB 4.41Å; R170-V176 HydrophobicContact CB-CG2 3.8Å; R170-S238 VanDerWaalsContact NH1-CB 3.31Å; R170-S238 PolarHBondContact NH1-OG 3.09Å; R170-S238 PolarHBondContact NH2-O 3.5Å; R170-S238 PolarHBondContact NH2-OG 2.81Å; R170-C891 WeakPolarHBondContact CD-O 3.32Å; R170-L892 HydrophobicContact CG-CD2 4.48Å
171	M	96.9	Very high	97.4	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-68.6	-18.4	177	-66.9	176	74.8	0	0	112.7	H132 R167 W168 G173 A860 P864 Q893 P894 Y895	H132-M171 PolarHBondContact NE2-O 3.02Å; R167-M171 WeakPolarHBondContact O-CB 3.35Å; R167-M171 WeakPolarHBondContact O-CG 3.42Å; R167-M171 PolarHBondContact O-N 3.4Å; W168-M171 PolarHBondContact O-N 2.91Å; M171-G173 PolarHBondContact O-N 3.05Å; M171-A860 HydrophobicContact CE-CB 4.13Å; M171-P864 HydrophobicContact SD-CG 4.43Å; M171-Q893 VanDerWaalsContact CB-O 3.3Å; M171-Q893 WeakPolarHBondContact CB-O 3.49Å; M171-Q893 WeakPolarHBondContact CG-O 3.4Å; M171-P894 CarbonylContact O-C 3.57Å; M171-P894 VanDerWaalsContact O-CA 3.27Å; M171-P894 WeakPolarHBondContact O-CA 3.36Å; M171-Y895 HydrophobicContact CB-CD2 4.31Å; M171-Y895 HydrophobicContact CE-CD2 3.95Å; M171-Y895 PolarHBondContact O-N 3.44Å; M171-Y895 HydrophobicContact SD-CD2 4.02Å
172	Q	96.4	Very high	97.3	Very high	16 Å²	16	5.5 Å²	5.5	8%	0.075	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.9	168.6	-74.1	-177.1	-33.5	0	0	113.3	W168 R169 R170 R897	W168-Q172 VanDerWaalsContact CZ2-NE2 3.25Å; W168-Q172 WeakPolarHBondContact O-CG 3.38Å; W168-Q172 PolarHBondContact O-N 3.26Å; R169-Q172 WeakPolarHBondContact O-CB 3.4Å; R169-Q172 PolarHBondContact O-N 2.65Å; R169-Q172 VanDerWaalsContact O-N 3.14Å; R170-Q172 PolarHBondContact O-N 3.2Å; Q172-R897 PolarHBondContact O-NH2 2.98Å; Q172-R897 VanDerWaalsContact O-NH2 3.11Å
173	G	95.9	Very high	97.1	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.01	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	7.6	-179.9	0	0	0	0	0	114.4	R133 V134 R169 R170 M171	R133-G173 WeakPolarHBondContact CA-O 3.48Å; V134-G173 PolarHBondContact N-O 3.06Å; R169-G173 PolarHBondContact O-N 3.04Å; R170-G173 WeakPolarHBondContact O-CA 3.2Å; R170-G173 PolarHBondContact O-N 2.9Å; M171-G173 PolarHBondContact O-N 3.05Å
174	H	97.1	Very high	96.9	Very high	13 Å²	13	5.7 Å²	5.7	6%	0.06	2%	0.024	C	C	.	.			trans	-69	151	177.5	-66.6	-124.2	0	0	0	110.4	Q136 F138 R169 V176	Q136-H174 PolarHBondContact OE1-CE1 3.28Å; F138-H174 HydrophobicContact CB-CB 4.44Å; R169-H174 HydrophobicContact CB-CB 4.26Å; R169-H174 VanDerWaalsContact O-CB 3.3Å; R169-H174 WeakPolarHBondContact O-CB 3.45Å; R169-H174 PolarHBondContact O-CD2 2.83Å; R169-H174 VanDerWaalsContact O-CD2 3.25Å; R169-H174 PolarHBondContact O-N 3.43Å; R169-H174 VanDerWaalsContact O-N 3.08Å; H174-V176 HydrophobicContact CB-CG2 4.08Å; H174-V176 PolarHBondContact O-N 2.89Å; H174-V176 VanDerWaalsContact O-N 3.16Å
175	R	96.7	Very high	96.5	Very high	48 Å²	48	5.9 Å²	5.9	18%	0.181	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	98.6	165.4	-175.6	-170.1	-72.4	136.8	-8.1	109.5	P124 E128 Q136 T137 F138 F610	P124-R175 HydrophobicContact CB-CG 3.93Å; E128-R175 IonicContact OE1-CZ 2.66Å; E128-R175 VanDerWaalsContact OE1-CZ 3.27Å; E128-R175 IonicContact OE1-NE 3.81Å; E128-R175 PolarHBondContact OE1-NE 2.93Å; E128-R175 IonicContact OE1-NH2 3.33Å; E128-R175 PolarHBondContact OE1-NH2 2.66Å; Q136-R175 PolarHBondContact O-N 3.3Å; T137-R175 WeakPolarHBondContact CA-O 3.5Å; F138-R175 PolarHBondContact N-O 2.63Å; R175-F610 HydrophobicContact CG-CE1 4.15Å; R175-F610 HydrophobicContact CG-CZ 4.32Å
176	V	97.6	Very high	96.2	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.006	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.6	-175.8	-176.5	0	0	0	0	112.4	P124 H127 F138 V166 R169 R170 H174	P124-V176 WeakPolarHBondContact CG-O 3.48Å; H127-V176 PolarHBondContact CE1-O 2.87Å; H127-V176 VanDerWaalsContact CE1-O 3.28Å; H127-V176 PolarHBondContact ND1-N 2.92Å; H127-V176 PolarHBondContact ND1-O 2.83Å; F138-V176 HydrophobicContact CB-CG2 4.26Å; F138-V176 HydrophobicContact CD1-CG1 4.29Å; F138-V176 CarbonylContact O-C 3.53Å; F138-V176 VanDerWaalsContact O-CA 3.28Å; F138-V176 WeakPolarHBondContact O-CA 3.45Å; V166-V176 HydrophobicContact CB-CG1 3.72Å; V166-V176 HydrophobicContact CG1-CG1 3.86Å; R169-V176 HydrophobicContact CB-CG2 4.03Å; R170-V176 HydrophobicContact CB-CB 4.41Å; R170-V176 HydrophobicContact CB-CG2 3.8Å; H174-V176 HydrophobicContact CB-CG2 4.08Å; H174-V176 PolarHBondContact O-N 2.89Å; H174-V176 VanDerWaalsContact O-N 3.16Å
177	L	97.9	Very high	95.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.4	168	177.5	64.3	0	0	0	110	P124 F138 S139 L140 V179 D240 L598 F610	P124-L177 HydrophobicContact CG-CB 3.95Å; P124-L177 HydrophobicContact CG-CD1 3.77Å; P124-L177 HydrophobicContact CG-CG 4.42Å; F138-L177 PolarHBondContact O-N 3.13Å; S139-L177 VanDerWaalsContact CA-O 3.31Å; S139-L177 WeakPolarHBondContact CA-O 3.43Å; L140-L177 PolarHBondContact N-O 3.46Å; L140-L177 VanDerWaalsContact N-O 3.08Å; L177-V179 HydrophobicContact CD1-CG2 3.9Å; L177-V179 HydrophobicContact CD2-CG2 3.89Å; L177-V179 HydrophobicContact CG-CG2 3.73Å; L177-D240 HydrophobicContact CD1-CB 4.29Å; L177-L598 HydrophobicContact CD2-CD2 3.68Å; L177-F610 HydrophobicContact CB-CD1 3.58Å; L177-F610 HydrophobicContact CB-CE1 3.57Å; L177-F610 HydrophobicContact CB-CG 4.13Å; L177-F610 HydrophobicContact CB-CZ 4.09Å; L177-F610 HydrophobicContact CD2-CB 3.8Å; L177-F610 HydrophobicContact CD2-CD1 3.83Å; L177-F610 HydrophobicContact CD2-CD2 3.49Å; L177-F610 VanDerWaalsContact CD2-CD2 3.49Å; L177-F610 HydrophobicContact CD2-CE1 4.26Å; L177-F610 HydrophobicContact CD2-CE2 3.95Å; L177-F610 HydrophobicContact CD2-CG 3.43Å; L177-F610 VanDerWaalsContact CD2-CG 3.43Å; L177-F610 HydrophobicContact CD2-CZ 4.31Å; L177-F610 HydrophobicContact CG-CD1 4.34Å; L177-F610 HydrophobicContact CG-CG 4.41Å
178	W	98	Very high	95	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.008	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	106.7	172.6	-174.1	26.7	0	0	0	109.7	L140 V159 Q162 D163 V166 A237 L239 D240	L140-W178 HydrophobicContact CG-CG 4.39Å; L140-W178 WeakPolarHBondContact O-CA 3.29Å; V159-W178 HydrophobicContact CG1-CH2 4.24Å; Q162-W178 HydrophobicContact CB-CH2 4.02Å; Q162-W178 HydrophobicContact CB-CZ2 3.43Å; Q162-W178 VanDerWaalsContact CB-CZ2 3.43Å; Q162-W178 HydrophobicContact CG-CZ2 4.36Å; Q162-W178 VanDerWaalsContact OE1-CE2 3.29Å; Q162-W178 VanDerWaalsContact OE1-CZ2 3.23Å; D163-W178 HydrophobicContact CB-CH2 3.77Å; D163-W178 HydrophobicContact CB-CZ3 3.59Å; D163-W178 VanDerWaalsContact OD1-CZ3 3.29Å; D163-W178 WeakPolarHBondContact OD1-CZ3 3.34Å; V166-W178 HydrophobicContact CG1-CB 4.02Å; V166-W178 HydrophobicContact CG1-CD2 4.37Å; V166-W178 HydrophobicContact CG1-CG 4.17Å; V166-W178 HydrophobicContact CG2-CD2 4.2Å; V166-W178 HydrophobicContact CG2-CE3 3.59Å; V166-W178 HydrophobicContact CG2-CZ3 4.07Å; W178-A237 HydrophobicContact CH2-CB 3.95Å; W178-A237 HydrophobicContact CZ3-CB 3.94Å; W178-L239 HydrophobicContact CB-CD2 4.48Å; W178-L239 HydrophobicContact CD2-CD2 3.35Å; W178-L239 HydrophobicContact CD2-CG 4Å; W178-L239 VanDerWaalsContact CE2-CD2 3.43Å; W178-L239 HydrophobicContact CE3-CD2 3.72Å; W178-L239 HydrophobicContact CE3-CG 3.8Å; W178-L239 HydrophobicContact CG-CD2 3.7Å; W178-L239 HydrophobicContact CH2-CD2 4.23Å; W178-L239 HydrophobicContact CH2-CG 4.18Å; W178-L239 HydrophobicContact CZ2-CD2 3.89Å; W178-L239 HydrophobicContact CZ2-CG 4.33Å; W178-L239 HydrophobicContact CZ3-CD2 4.13Å; W178-L239 HydrophobicContact CZ3-CG 3.9Å; W178-D240 PolarHBondContact O-N 2.81Å
179	V	97.1	Very high	94.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.2	-168.6	-175.8	0	0	0	0	111	L140 I142 L177 R243 M597	L140-V179 PolarHBondContact O-N 3.48Å; I142-V179 WeakPolarHBondContact CG2-O 3.41Å; I142-V179 PolarHBondContact N-O 3.08Å; I142-V179 VanDerWaalsContact N-O 3.15Å; L177-V179 HydrophobicContact CD1-CG2 3.9Å; L177-V179 HydrophobicContact CD2-CG2 3.89Å; L177-V179 HydrophobicContact CG-CG2 3.73Å; V179-R243 HydrophobicContact CG1-CB 4.23Å; V179-R243 WeakPolarHBondContact CG1-O 3.37Å; V179-M597 HydrophobicContact CB-CE 4.15Å; V179-M597 HydrophobicContact CB-CG 4.45Å; V179-M597 HydrophobicContact CB-SD 3.5Å; V179-M597 VanDerWaalsContact CB-SD 3.5Å; V179-M597 HydrophobicContact CG1-CB 4.1Å; V179-M597 HydrophobicContact CG1-CG 4.24Å; V179-M597 HydrophobicContact CG1-SD 3.78Å; V179-M597 HydrophobicContact CG2-CE 3.76Å; V179-M597 HydrophobicContact CG2-CG 4.33Å; V179-M597 HydrophobicContact CG2-SD 3.68Å
180	P	96	Very high	94.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.			trans	-78.5	151.7	170.3	24.7	-22.4	0	0	0	112.1	L239 D240 W241 A244 C245	P180-L239 HydrophobicContact CB-CB 4.11Å; P180-L239 HydrophobicContact CB-CD1 4.13Å; P180-L239 HydrophobicContact CB-CD2 4Å; P180-L239 HydrophobicContact CB-CG 4.3Å; P180-L239 HydrophobicContact CG-CB 4.05Å; P180-L239 HydrophobicContact CG-CD2 4.49Å; P180-D240 WeakPolarHBondContact CD-O 3.41Å; P180-D240 VanDerWaalsContact CG-O 3.28Å; P180-D240 WeakPolarHBondContact CG-O 3.33Å; P180-W241 HydrophobicContact CB-CE3 4.08Å; P180-W241 HydrophobicContact CB-CZ3 3.92Å; P180-W241 HydrophobicContact CG-CD2 4.45Å; P180-W241 HydrophobicContact CG-CE3 3.97Å; P180-W241 HydrophobicContact CG-CZ3 4.34Å; P180-A244 HydrophobicContact CB-CB 4.42Å; P180-A244 HydrophobicContact CG-CB 3.9Å; P180-A244 WeakPolarHBondContact O-CA 3.29Å; P180-C245 PolarHBondContact O-N 2.86Å
181	G	93.8	Very high	93.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	172.7	165.2	0	0	0	0	0	113.7	P144 P145 C245	P144-G181 WeakPolarHBondContact CA-O 3.44Å; P145-G181 WeakPolarHBondContact CD-O 3.44Å; G181-C245 CarbonylContact C-O 3.51Å; G181-C245 WeakPolarHBondContact CA-O 3.32Å
182	C	94.7	Very high	93.2	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.007	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.7	177.8	-78.5	0	0	0	0	110.4	V147 Y229 C245 F246 T247	V147-C182 HydrophobicContact CG1-CB 3.89Å; C182-Y229 WeakPolarHBondContact SG-CE1 3.29Å; C182-C245 PolarHBondContact N-O 3.15Å; C182-F246 HydrophobicContact CB-CD2 4.06Å; C182-F246 WeakPolarHBondContact O-CA 3.38Å; C182-F246 VanDerWaalsContact O-CD2 3.26Å; C182-F246 WeakPolarHBondContact O-CD2 3.46Å; C182-T247 PolarHBondContact O-N 2.91Å
183	D	95.2	Very high	93	Very high	4 Å²	4	6.6 Å²	6.6	2%	0.021	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	-103	134	176.3	178.4	27.3	0	0	0	110.9	P144 P145 V147 A185 T247 T586 S590	P144-D183 HydrophobicContact CB-CB 4.1Å; P144-D183 HydrophobicContact CG-CB 4.13Å; P145-D183 PolarHBondContact O-N 3.05Å; V147-D183 WeakPolarHBondContact CG2-O 3.22Å; V147-D183 PolarHBondContact N-O 3.3Å; D183-A185 PolarHBondContact O-N 3.31Å; D183-A185 PolarHBondContact OD1-N 3.47Å; D183-A185 PolarHBondContact OD2-N 3Å; D183-T247 HydrophobicContact CB-CG2 4.19Å; D183-T247 PolarHBondContact OD1-OG1 3.38Å; D183-T586 WeakPolarHBondContact OD2-CG2 3.44Å; D183-S590 PolarHBondContact OD2-OG 2.88Å
184	H	94.4	Very high	92.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.			trans	-60.1	-24.8	175.3	75	-59.9	0	0	0	113.4	G186 T189 F246 T247 M248 W527 S589	H184-G186 PolarHBondContact CD2-N 3.2Å; H184-G186 PolarHBondContact O-N 3.39Å; H184-T189 VanDerWaalsContact O-CB 3.28Å; H184-T189 WeakPolarHBondContact O-CB 3.4Å; H184-T189 PolarHBondContact O-OG1 2.91Å; H184-F246 VanDerWaalsContact CA-CE2 3.47Å; H184-F246 HydrophobicContact CB-CE1 4.37Å; H184-F246 HydrophobicContact CB-CE2 3.76Å; H184-F246 HydrophobicContact CB-CZ 3.43Å; H184-F246 VanDerWaalsContact CB-CZ 3.43Å; H184-F246 VanDerWaalsContact N-CE2 3.35Å; H184-T247 WeakPolarHBondContact CB-OG1 3.48Å; H184-T247 PolarHBondContact N-OG1 3.44Å; H184-T247 PolarHBondContact ND1-OG1 3.39Å; H184-M248 HydrophobicContact CB-CG 3.79Å; H184-M248 HydrophobicContact CB-SD 3.57Å; H184-M248 VanDerWaalsContact CB-SD 3.57Å; H184-M248 PolarHBondContact CD2-SD 2.95Å; H184-W527 HydrophobicContact CB-CZ2 4.25Å; H184-W527 PolarHBondContact O-NE1 2.67Å; H184-S589 PolarHBondContact CE1-OG 3.24Å
185	A	90.9	Very high	92	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.025	6%	0.059	C	C	.	.			trans	57.7	16	173.2	0	0	0	0	0	116.3	N146 T148 D183 I187 A188 T586	N146-A185 HydrophobicContact CB-CB 3.57Å; T148-A185 HydrophobicContact CG2-CB 4.19Å; D183-A185 PolarHBondContact O-N 3.31Å; D183-A185 PolarHBondContact OD1-N 3.47Å; D183-A185 PolarHBondContact OD2-N 3Å; A185-I187 PolarHBondContact O-N 2.92Å; A185-I187 VanDerWaalsContact O-N 3.14Å; A185-A188 HydrophobicContact CB-CB 4.2Å; A185-A188 WeakPolarHBondContact O-CB 3.01Å; A185-A188 PolarHBondContact O-N 3.49Å; A185-T586 VanDerWaalsContact C-OG1 3.29Å; A185-T586 VanDerWaalsContact CA-CG2 3.5Å
186	G	91.2	Very high	91.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	36.6	-113.6	174	0	0	0	0	0	114.2	H184 A188 T189 Q190 T586	H184-G186 PolarHBondContact CD2-N 3.2Å; H184-G186 PolarHBondContact O-N 3.39Å; G186-A188 PolarHBondContact O-N 2.81Å; G186-T189 PolarHBondContact O-N 2.82Å; G186-Q190 PolarHBondContact O-N 3.04Å; G186-T586 VanDerWaalsContact CA-OG1 3.26Å; G186-T586 WeakPolarHBondContact CA-OG1 3.49Å; G186-T586 PolarHBondContact N-OG1 2.91Å
187	I	85.9	Confident	91.2	Very high	10 Å²	10	13.6 Å²	13.6	5%	0.051	6%	0.062	C	C	.	.	H	α-helix	trans	-55	-33.5	-178.9	-167.2	167.8	0	0	0	114.4	A185 T191 L282 I286 E290 L525	A185-I187 PolarHBondContact O-N 2.92Å; A185-I187 VanDerWaalsContact O-N 3.14Å; I187-T191 VanDerWaalsContact O-CB 3.28Å; I187-T191 WeakPolarHBondContact O-CB 3.38Å; I187-T191 PolarHBondContact O-N 2.98Å; I187-T191 PolarHBondContact O-OG1 3.5Å; I187-L282 HydrophobicContact CD1-CD1 3.88Å; I187-L282 HydrophobicContact CG1-CD1 4.39Å; I187-I286 HydrophobicContact CD1-CD1 3.42Å; I187-I286 VanDerWaalsContact CD1-CD1 3.42Å; I187-E290 WeakPolarHBondContact CG2-OE1 3.3Å; I187-L525 HydrophobicContact CB-CD1 3.65Å; I187-L525 HydrophobicContact CB-CD2 4.19Å; I187-L525 HydrophobicContact CD1-CD2 4.33Å; I187-L525 HydrophobicContact CG1-CD1 4.35Å; I187-L525 HydrophobicContact CG1-CD2 3.99Å
188	A	85.2	Confident	90.6	Very high	9 Å²	9	17.8 Å²	17.8	7%	0.074	8%	0.084	C	C	.	.	H	α-helix	trans	-69.2	-44.6	-179.1	0	0	0	0	0	110.9	T148 A185 G186 V192	T148-A188 HydrophobicContact CG2-CB 3.8Å; A185-A188 HydrophobicContact CB-CB 4.2Å; A185-A188 WeakPolarHBondContact O-CB 3.01Å; A185-A188 PolarHBondContact O-N 3.49Å; G186-A188 PolarHBondContact O-N 2.81Å; A188-V192 VanDerWaalsContact O-CG2 3.29Å; A188-V192 WeakPolarHBondContact O-CG2 3.42Å; A188-V192 PolarHBondContact O-N 2.48Å
189	T	90.9	Very high	89.9	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67	-46.2	175.4	-60.5	0	0	0	0	110.5	V147 H184 G186 T191 V192 V193 V217	V147-T189 HydrophobicContact CG2-CG2 4.06Å; V147-T189 WeakPolarHBondContact CG2-OG1 3.32Å; H184-T189 VanDerWaalsContact O-CB 3.28Å; H184-T189 WeakPolarHBondContact O-CB 3.4Å; H184-T189 PolarHBondContact O-OG1 2.91Å; G186-T189 PolarHBondContact O-N 2.82Å; T189-T191 VanDerWaalsContact C-N 3.34Å; T189-T191 PolarHBondContact O-N 3.04Å; T189-V192 PolarHBondContact O-N 2.9Å; T189-V192 VanDerWaalsContact O-N 3.15Å; T189-V193 HydrophobicContact CG2-CG2 4.39Å; T189-V193 WeakPolarHBondContact O-CG2 3.47Å; T189-V193 PolarHBondContact O-N 3.42Å; T189-V217 HydrophobicContact CG2-CG1 3.86Å
190	Q	91.5	Very high	89.4	Confident	5 Å²	5	28.3 Å²	28.3	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-55.8	-49.5	178.6	-172	172.8	-54	0	0	111.2	G186 V192 V193 E194 F213 W527	G186-Q190 PolarHBondContact O-N 3.04Å; Q190-V192 VanDerWaalsContact C-N 3.31Å; Q190-V192 PolarHBondContact O-N 3.47Å; Q190-V193 PolarHBondContact O-N 2.86Å; Q190-E194 HydrophobicContact CG-CG 4.32Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.38Å; Q190-E194 PolarHBondContact NE2-OE1 3.32Å; Q190-E194 WeakPolarHBondContact O-CG 3.24Å; Q190-E194 PolarHBondContact O-N 3.02Å; Q190-F213 HydrophobicContact CG-CE1 3.78Å; Q190-F213 HydrophobicContact CG-CZ 3.7Å; Q190-W527 HydrophobicContact CB-CB 4.32Å; Q190-W527 VanDerWaalsContact OE1-N 3.16Å
191	T	86	Confident	89.1	Confident	12 Å²	12	33.3 Å²	33.3	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-39.7	179.3	-58.4	0	0	0	0	112.3	I187 T189 R195	I187-T191 VanDerWaalsContact O-CB 3.28Å; I187-T191 WeakPolarHBondContact O-CB 3.38Å; I187-T191 PolarHBondContact O-N 2.98Å; I187-T191 PolarHBondContact O-OG1 3.5Å; T189-T191 VanDerWaalsContact C-N 3.34Å; T189-T191 PolarHBondContact O-N 3.04Å; T191-R195 WeakPolarHBondContact O-CG 3.45Å; T191-R195 PolarHBondContact O-N 3.36Å; T191-R195 VanDerWaalsContact O-N 3.1Å
192	V	85.6	Confident	88.8	Confident	26 Å²	26	35.9 Å²	35.9	16%	0.158	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-41.9	178.8	171.1	0	0	0	0	111.2	A188 T189 Q190 R196 W220	A188-V192 VanDerWaalsContact O-CG2 3.29Å; A188-V192 WeakPolarHBondContact O-CG2 3.42Å; A188-V192 PolarHBondContact O-N 2.48Å; T189-V192 PolarHBondContact O-N 2.9Å; T189-V192 VanDerWaalsContact O-N 3.15Å; Q190-V192 VanDerWaalsContact C-N 3.31Å; Q190-V192 PolarHBondContact O-N 3.47Å; V192-R196 WeakPolarHBondContact O-CB 3.42Å; V192-R196 PolarHBondContact O-N 3.06Å; V192-W220 HydrophobicContact CG1-CH2 3.56Å; V192-W220 HydrophobicContact CG1-CZ2 3.31Å; V192-W220 HydrophobicContact CG1-CZ3 4.35Å
193	V	90.3	Very high	88.6	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-44.6	177.5	175.8	0	0	0	0	111.1	T189 Q190 R195 R196 L197 F213 E216 V217 W220	T189-V193 HydrophobicContact CG2-CG2 4.39Å; T189-V193 WeakPolarHBondContact O-CG2 3.47Å; T189-V193 PolarHBondContact O-N 3.42Å; Q190-V193 PolarHBondContact O-N 2.86Å; V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 PolarHBondContact O-N 2.53Å; V193-R196 WeakPolarHBondContact O-CB 3.17Å; V193-R196 PolarHBondContact O-N 3.02Å; V193-L197 HydrophobicContact CG1-CD1 3.88Å; V193-L197 HydrophobicContact CG1-CG 4.25Å; V193-L197 WeakPolarHBondContact O-CG 3.47Å; V193-L197 PolarHBondContact O-N 2.67Å; V193-F213 HydrophobicContact CG1-CE2 4.27Å; V193-F213 HydrophobicContact CG1-CZ 4.38Å; V193-E216 HydrophobicContact CG1-CB 4.42Å; V193-V217 HydrophobicContact CB-CG2 4.24Å; V193-V217 HydrophobicContact CG1-CG2 3.95Å; V193-V217 HydrophobicContact CG2-CG1 4.48Å; V193-V217 HydrophobicContact CG2-CG2 4.26Å; V193-W220 HydrophobicContact CG2-CB 3.79Å; V193-W220 HydrophobicContact CG2-CD2 4.11Å; V193-W220 HydrophobicContact CG2-CG 3.66Å
194	E	89.5	Confident	88.2	Confident	40 Å²	40	48.3 Å²	48.3	19%	0.187	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-46.1	176.2	-73.9	-174.4	-157	0	0	111.9	Q190 L197 L198 R205 F213	Q190-E194 HydrophobicContact CG-CG 4.32Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.38Å; Q190-E194 PolarHBondContact NE2-OE1 3.32Å; Q190-E194 WeakPolarHBondContact O-CG 3.24Å; Q190-E194 PolarHBondContact O-N 3.02Å; E194-L197 PolarHBondContact O-N 2.91Å; E194-L198 WeakPolarHBondContact O-CB 3.46Å; E194-L198 PolarHBondContact O-N 3.14Å; E194-R205 HydrophobicContact CG-CB 4.03Å; E194-R205 WeakPolarHBondContact OE1-CD 3.2Å; E194-R205 IonicContact OE1-NE 2.65Å; E194-R205 PolarHBondContact OE1-NE 3.45Å; E194-R205 VanDerWaalsContact OE1-NE 3.07Å; E194-F213 HydrophobicContact CG-CE2 3.76Å; E194-F213 HydrophobicContact CG-CZ 3.74Å
195	R	83.9	Confident	87.9	Confident	103 Å²	103	49.2 Å²	49.2	39%	0.389	23%	0.232	S	C	.	.	H	α-helix	trans	-64	-41.8	177	-72.6	179.6	-169	178.9	4.5	112.6	T191 V193 L198 R199 R465	T191-R195 WeakPolarHBondContact O-CG 3.45Å; T191-R195 PolarHBondContact O-N 3.36Å; T191-R195 VanDerWaalsContact O-N 3.1Å; V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 PolarHBondContact O-N 2.53Å; R195-L198 PolarHBondContact O-N 2.89Å; R195-R199 WeakPolarHBondContact O-CB 3.42Å; R195-R199 PolarHBondContact O-N 3Å; R195-R465 PolarHBondContact NH2-O 3.48Å
196	R	86.4	Confident	87.7	Confident	62 Å²	62	54.3 Å²	54.3	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-48.9	175.4	178.9	-168.7	177.6	176.8	7.2	110.2	V192 V193 L198 R199 D200 E223	V192-R196 WeakPolarHBondContact O-CB 3.42Å; V192-R196 PolarHBondContact O-N 3.06Å; V193-R196 WeakPolarHBondContact O-CB 3.17Å; V193-R196 PolarHBondContact O-N 3.02Å; R196-L198 VanDerWaalsContact C-N 3.34Å; R196-L198 PolarHBondContact O-N 3.2Å; R196-R199 PolarHBondContact O-N 2.95Å; R196-D200 WeakPolarHBondContact CG-OD2 3.35Å; R196-D200 IonicContact NE-OD2 2.99Å; R196-D200 PolarHBondContact NE-OD2 3.25Å; R196-D200 VanDerWaalsContact O-CB 3.29Å; R196-D200 WeakPolarHBondContact O-CB 3.32Å; R196-D200 PolarHBondContact O-N 3.31Å; R196-E223 IonicContact NH1-OE2 2.99Å; R196-E223 PolarHBondContact NH1-OE2 3.08Å; R196-E223 IonicContact NH2-OE2 4Å
197	L	89.8	Confident	87.7	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-39.5	-179.8	-69.5	172.8	0	0	0	112	V193 E194 K201 G202 K203 F208 F213 E216	V193-L197 HydrophobicContact CG1-CD1 3.88Å; V193-L197 HydrophobicContact CG1-CG 4.25Å; V193-L197 WeakPolarHBondContact O-CG 3.47Å; V193-L197 PolarHBondContact O-N 2.67Å; E194-L197 PolarHBondContact O-N 2.91Å; L197-K201 HydrophobicContact CD2-CD 3.96Å; L197-K201 CarbonylContact O-C 3.54Å; L197-K201 WeakPolarHBondContact O-CA 3.46Å; L197-K201 WeakPolarHBondContact O-CB 3.47Å; L197-K201 PolarHBondContact O-N 3.31Å; L197-G202 PolarHBondContact O-N 2.97Å; L197-K203 CarbonylContact C-O 3.51Å; L197-F208 HydrophobicContact CD1-CE2 4.18Å; L197-F208 HydrophobicContact CD1-CZ 4.35Å; L197-F208 HydrophobicContact CD2-CZ 4.49Å; L197-F213 HydrophobicContact CD1-CD2 4.04Å; L197-F213 HydrophobicContact CD1-CE2 3.95Å; L197-E216 HydrophobicContact CD1-CB 4.31Å; L197-E216 HydrophobicContact CD1-CG 4.48Å; L197-E216 HydrophobicContact CD2-CG 4.2Å
198	L	86.1	Confident	87.9	Confident	87 Å²	87	59.5 Å²	59.5	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-64.2	-43.1	175.4	-175.5	63.3	0	0	0	111.7	E194 R195 R196 G202 K203 R204	E194-L198 WeakPolarHBondContact O-CB 3.46Å; E194-L198 PolarHBondContact O-N 3.14Å; R195-L198 PolarHBondContact O-N 2.89Å; R196-L198 VanDerWaalsContact C-N 3.34Å; R196-L198 PolarHBondContact O-N 3.2Å; L198-G202 WeakPolarHBondContact O-CA 3.49Å; L198-G202 PolarHBondContact O-N 3.07Å; L198-K203 WeakPolarHBondContact CA-O 3.4Å; L198-K203 PolarHBondContact N-O 3.44Å; L198-R204 HydrophobicContact CD1-CG 4.12Å
199	R	83.6	Confident	88.3	Confident	134 Å²	134	62.3 Å²	62.3	51%	0.506	30%	0.297	S	S	.	.	H	α-helix	trans	-69.3	-46.2	178.9	-176.5	-171.7	64.7	-158.8	-0.1	112.6	R195 R196 E688 N690	R195-R199 WeakPolarHBondContact O-CB 3.42Å; R195-R199 PolarHBondContact O-N 3Å; R196-R199 PolarHBondContact O-N 2.95Å; R199-E688 PolarHBondContact NH1-O 3.31Å; R199-N690 PolarHBondContact NH1-OD1 3.2Å
200	D	85.8	Confident	88.3	Confident	89 Å²	89	65 Å²	65	48%	0.476	31%	0.308	S	S	.	.	H	α-helix	trans	-86.3	-31.5	-170.1	-60.1	-4.1	0	0	0	111.9	R196	R196-D200 WeakPolarHBondContact CG-OD2 3.35Å; R196-D200 IonicContact NE-OD2 2.99Å; R196-D200 PolarHBondContact NE-OD2 3.25Å; R196-D200 VanDerWaalsContact O-CB 3.29Å; R196-D200 WeakPolarHBondContact O-CB 3.32Å; R196-D200 PolarHBondContact O-N 3.31Å
201	K	89.6	Confident	88.4	Confident	105 Å²	105	70.5 Å²	70.5	46%	0.457	33%	0.333	S	S	.	.	H	α-helix	trans	-120.8	-7.9	-175.8	-56.5	-174.4	-174.3	175.7	0	114.3	L197 K203 E216	L197-K201 HydrophobicContact CD2-CD 3.96Å; L197-K201 CarbonylContact O-C 3.54Å; L197-K201 WeakPolarHBondContact O-CA 3.46Å; L197-K201 WeakPolarHBondContact O-CB 3.47Å; L197-K201 PolarHBondContact O-N 3.31Å; K201-K203 PolarHBondContact O-N 3.37Å; K201-E216 IonicContact NZ-OE1 3.32Å; K201-E216 PolarHBondContact NZ-OE1 2.84Å; K201-E216 IonicContact NZ-OE2 2.95Å
202	G	88.9	Confident	88.8	Confident	55 Å²	55	74.4 Å²	74.4	57%	0.567	35%	0.351	S	S	*	.	S	Bend	trans	69.5	10.2	-176	0	0	0	0	0	114.8	L197 L198	L197-G202 PolarHBondContact O-N 2.97Å; L198-G202 WeakPolarHBondContact O-CA 3.49Å; L198-G202 PolarHBondContact O-N 3.07Å
203	K	90.2	Very high	89.2	Confident	99 Å²	99	73.2 Å²	73.2	43%	0.43	34%	0.343	S	S	.	.			trans	-107.6	143.7	-174.8	-67.9	-169.6	176.2	-167	0	112.2	L197 L198 K201 D207 F208	L197-K203 CarbonylContact C-O 3.51Å; L198-K203 WeakPolarHBondContact CA-O 3.4Å; L198-K203 PolarHBondContact N-O 3.44Å; K201-K203 PolarHBondContact O-N 3.37Å; K203-D207 WeakPolarHBondContact CA-OD2 3.43Å; K203-D207 HydrophobicContact CB-CB 4.24Å; K203-D207 HydrophobicContact CD-CB 4.43Å; K203-D207 HydrophobicContact CG-CB 4.5Å; K203-F208 HydrophobicContact CB-CE2 3.72Å; K203-F208 HydrophobicContact CB-CZ 3.98Å; K203-F208 HydrophobicContact CD-CE1 4.49Å; K203-F208 HydrophobicContact CD-CE2 4.28Å; K203-F208 HydrophobicContact CD-CZ 3.91Å
204	R	87	Confident	89.4	Confident	166 Å²	166	75 Å²	75	63%	0.626	35%	0.353	S	S	*	.			trans	-92.8	164.8	173.7	-59.5	-178.8	179.1	-139.4	0.4	110.5	L198 Q206 D207 F208	L198-R204 HydrophobicContact CD1-CG 4.12Å; R204-Q206 PolarHBondContact O-N 3.43Å; R204-D207 PolarHBondContact N-OD2 2.95Å; R204-D207 WeakPolarHBondContact O-CB 3.4Å; R204-D207 PolarHBondContact O-N 3.45Å; R204-F208 VanDerWaalsContact O-CD2 3.24Å; R204-F208 WeakPolarHBondContact O-CD2 3.44Å; R204-F208 WeakPolarHBondContact O-CE2 3.14Å
205	R	88.2	Confident	89.7	Confident	20 Å²	20	79.6 Å²	79.6	8%	0.075	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-53.3	-39.8	176.4	179.2	173	58.7	93.1	-3.3	112.4	E194 D207 F208 F213 W526	E194-R205 HydrophobicContact CG-CB 4.03Å; E194-R205 WeakPolarHBondContact OE1-CD 3.2Å; E194-R205 IonicContact OE1-NE 2.65Å; E194-R205 PolarHBondContact OE1-NE 3.45Å; E194-R205 VanDerWaalsContact OE1-NE 3.07Å; R205-D207 PolarHBondContact O-N 2.88Å; R205-F208 PolarHBondContact O-N 3.38Å; R205-F213 HydrophobicContact CB-CD2 4.44Å; R205-F213 HydrophobicContact CB-CE2 4.29Å; R205-F213 HydrophobicContact CG-CD2 4.01Å; R205-F213 HydrophobicContact CG-CE2 4.09Å; R205-F213 HydrophobicContact CG-CG 4.24Å; R205-F213 HydrophobicContact CG-CZ 4.38Å; R205-W526 HydrophobicContact CG-CD2 4.22Å; R205-W526 HydrophobicContact CG-CE3 3.59Å; R205-W526 HydrophobicContact CG-CH2 3.89Å; R205-W526 HydrophobicContact CG-CZ2 4.47Å; R205-W526 HydrophobicContact CG-CZ3 3.41Å; R205-W526 VanDerWaalsContact CG-CZ3 3.41Å
206	Q	86.1	Confident	90.3	Very high	109 Å²	109	76.9 Å²	76.9	51%	0.509	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-67.3	-13.6	-178.4	-61.7	79.6	10.8	0	0	113.5	R204 F208	R204-Q206 PolarHBondContact O-N 3.43Å; Q206-F208 VanDerWaalsContact C-N 3.25Å; Q206-F208 PolarHBondContact O-N 2.92Å
207	D	90.4	Very high	90.7	Very high	93 Å²	93	73.9 Å²	73.9	50%	0.497	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-85	2	176.9	-53.9	-37.6	0	0	0	112.7	K203 R204 R205	K203-D207 WeakPolarHBondContact CA-OD2 3.43Å; K203-D207 HydrophobicContact CB-CB 4.24Å; K203-D207 HydrophobicContact CD-CB 4.43Å; K203-D207 HydrophobicContact CG-CB 4.5Å; R204-D207 PolarHBondContact N-OD2 2.95Å; R204-D207 WeakPolarHBondContact O-CB 3.4Å; R204-D207 PolarHBondContact O-N 3.45Å; R205-D207 PolarHBondContact O-N 2.88Å
208	F	91.4	Very high	90.9	Very high	27 Å²	27	78.2 Å²	78.2	12%	0.118	37%	0.371	C	S	.	.	S	Bend	trans	-120.1	154.2	179.5	-63.4	-89.3	0	0	0	110.9	L197 K203 R204 R205 Q206 E212 F213 W526	L197-F208 HydrophobicContact CD1-CE2 4.18Å; L197-F208 HydrophobicContact CD1-CZ 4.35Å; L197-F208 HydrophobicContact CD2-CZ 4.49Å; K203-F208 HydrophobicContact CB-CE2 3.72Å; K203-F208 HydrophobicContact CB-CZ 3.98Å; K203-F208 HydrophobicContact CD-CE1 4.49Å; K203-F208 HydrophobicContact CD-CE2 4.28Å; K203-F208 HydrophobicContact CD-CZ 3.91Å; R204-F208 VanDerWaalsContact O-CD2 3.24Å; R204-F208 WeakPolarHBondContact O-CD2 3.44Å; R204-F208 WeakPolarHBondContact O-CE2 3.14Å; R205-F208 PolarHBondContact O-N 3.38Å; Q206-F208 VanDerWaalsContact C-N 3.25Å; Q206-F208 PolarHBondContact O-N 2.92Å; F208-E212 HydrophobicContact CB-CB 4.27Å; F208-E212 HydrophobicContact CD1-CB 4.14Å; F208-F213 HydrophobicContact CB-CB 4.12Å; F208-W526 WeakPolarHBondContact O-CH2 3.42Å
209	T	93.6	Very high	91.3	Very high	68 Å²	68	79 Å²	79	42%	0.417	37%	0.371	S	S	.	.			trans	-69.2	162.6	159.8	69.9	0	0	0	0	110.5	E211 E212 F213	T209-E211 VanDerWaalsContact C-N 3.26Å; T209-E211 PolarHBondContact O-N 2.81Å; T209-E212 PolarHBondContact N-OE2 3.27Å; T209-E212 VanDerWaalsContact N-OE2 3.08Å; T209-E212 PolarHBondContact O-N 2.97Å; T209-E212 WeakPolarHBondContact OG1-CB 3.3Å; T209-E212 WeakPolarHBondContact OG1-CG 3.5Å; T209-E212 PolarHBondContact OG1-N 2.82Å; T209-E212 PolarHBondContact OG1-OE2 3.44Å; T209-F213 PolarHBondContact O-N 2.92Å
210	R	90.8	Very high	91.7	Very high	57 Å²	57	73.9 Å²	73.9	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-59.2	-42.4	178	-174.5	176.7	-176.5	160.5	5.3	110.4	F213 L214 W526 P581	R210-F213 PolarHBondContact O-N 3.21Å; R210-L214 HydrophobicContact CG-CD1 4.02Å; R210-L214 HydrophobicContact CG-CG 4.4Å; R210-L214 WeakPolarHBondContact O-CB 3.39Å; R210-L214 WeakPolarHBondContact O-CG 3.43Å; R210-L214 PolarHBondContact O-N 3.22Å; R210-W526 HydrophobicContact CB-CD2 4.31Å; R210-W526 HydrophobicContact CB-CE3 4.39Å; R210-W526 HydrophobicContact CG-CB 4.24Å; R210-W526 HydrophobicContact CG-CD2 4.05Å; R210-W526 HydrophobicContact CG-CE3 4.38Å; R210-W526 HydrophobicContact CG-CG 4Å; R210-P581 PolarHBondContact NH1-O 3.05Å; R210-P581 PolarHBondContact NH2-O 2.73Å
211	E	92.7	Very high	92.1	Very high	121 Å²	121	71.2 Å²	71.2	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-64	-47.4	-179.1	-63.4	68.2	-146	0	0	111.6	T209 F213 L214 Q215	T209-E211 VanDerWaalsContact C-N 3.26Å; T209-E211 PolarHBondContact O-N 2.81Å; E211-F213 VanDerWaalsContact C-N 3.34Å; E211-F213 PolarHBondContact O-N 2.98Å; E211-L214 PolarHBondContact O-N 2.99Å; E211-Q215 WeakPolarHBondContact O-CG 3.23Å; E211-Q215 PolarHBondContact O-N 2.93Å
212	E	95	Very high	92.2	Very high	94 Å²	94	70.3 Å²	70.3	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-44	178.2	-73.8	172.7	159.3	0	0	111.4	F208 T209 Q215 E216	F208-E212 HydrophobicContact CB-CB 4.27Å; F208-E212 HydrophobicContact CD1-CB 4.14Å; T209-E212 PolarHBondContact N-OE2 3.27Å; T209-E212 VanDerWaalsContact N-OE2 3.08Å; T209-E212 PolarHBondContact O-N 2.97Å; T209-E212 WeakPolarHBondContact OG1-CB 3.3Å; T209-E212 WeakPolarHBondContact OG1-CG 3.5Å; T209-E212 PolarHBondContact OG1-N 2.82Å; T209-E212 PolarHBondContact OG1-OE2 3.44Å; E212-Q215 PolarHBondContact O-N 2.58Å; E212-E216 PolarHBondContact O-N 3.31Å
213	F	94.8	Very high	92.2	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-43.7	177.4	-179.2	-96.3	0	0	0	111.8	Q190 V193 E194 L197 R205 F208 T209 R210 E211 Q215 E216 V217 W526	Q190-F213 HydrophobicContact CG-CE1 3.78Å; Q190-F213 HydrophobicContact CG-CZ 3.7Å; V193-F213 HydrophobicContact CG1-CE2 4.27Å; V193-F213 HydrophobicContact CG1-CZ 4.38Å; E194-F213 HydrophobicContact CG-CE2 3.76Å; E194-F213 HydrophobicContact CG-CZ 3.74Å; L197-F213 HydrophobicContact CD1-CD2 4.04Å; L197-F213 HydrophobicContact CD1-CE2 3.95Å; R205-F213 HydrophobicContact CB-CD2 4.44Å; R205-F213 HydrophobicContact CB-CE2 4.29Å; R205-F213 HydrophobicContact CG-CD2 4.01Å; R205-F213 HydrophobicContact CG-CE2 4.09Å; R205-F213 HydrophobicContact CG-CG 4.24Å; R205-F213 HydrophobicContact CG-CZ 4.38Å; F208-F213 HydrophobicContact CB-CB 4.12Å; T209-F213 PolarHBondContact O-N 2.92Å; R210-F213 PolarHBondContact O-N 3.21Å; E211-F213 VanDerWaalsContact C-N 3.34Å; E211-F213 PolarHBondContact O-N 2.98Å; F213-Q215 VanDerWaalsContact C-N 3.26Å; F213-Q215 PolarHBondContact O-N 3.01Å; F213-E216 WeakPolarHBondContact O-CB 3.23Å; F213-E216 PolarHBondContact O-N 3.37Å; F213-E216 VanDerWaalsContact O-N 3.12Å; F213-V217 HydrophobicContact CD1-CG2 3.93Å; F213-V217 HydrophobicContact CE1-CG2 3.47Å; F213-V217 VanDerWaalsContact CE1-CG2 3.47Å; F213-V217 HydrophobicContact CZ-CG2 3.82Å; F213-V217 WeakPolarHBondContact O-CG2 3.45Å; F213-V217 PolarHBondContact O-N 3.07Å; F213-W526 HydrophobicContact CB-CE3 3.63Å; F213-W526 HydrophobicContact CB-CZ3 3.69Å; F213-W526 HydrophobicContact CD1-CB 4.23Å; F213-W526 AromaticContact CD1-CE3 3.62Å; F213-W526 HydrophobicContact CD1-CE3 3.62Å; F213-W526 HydrophobicContact CD1-CZ3 4.41Å; F213-W526 HydrophobicContact CE1-CE3 4.48Å; F213-W526 AromaticContact CG-CE3 3.71Å; F213-W526 HydrophobicContact CG-CE3 3.71Å; F213-W526 HydrophobicContact CG-CZ3 4.04Å
214	L	94.4	Very high	92.2	Very high	42 Å²	42	69 Å²	69	22%	0.22	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-36.1	177.5	-75.8	176.1	0	0	0	112.4	R210 E211 V217 W218 W526 W527	R210-L214 HydrophobicContact CG-CD1 4.02Å; R210-L214 HydrophobicContact CG-CG 4.4Å; R210-L214 WeakPolarHBondContact O-CB 3.39Å; R210-L214 WeakPolarHBondContact O-CG 3.43Å; R210-L214 PolarHBondContact O-N 3.22Å; E211-L214 PolarHBondContact O-N 2.99Å; L214-V217 PolarHBondContact O-N 3.1Å; L214-W218 VanDerWaalsContact O-CD1 3.25Å; L214-W218 PolarHBondContact O-N 3.11Å; L214-W526 WeakPolarHBondContact CD2-O 3.48Å; L214-W527 HydrophobicContact CD2-CE3 3.64Å; L214-W527 HydrophobicContact CD2-CZ3 4.24Å
215	Q	95.6	Very high	92.3	Very high	136 Å²	136	61.4 Å²	61.4	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-62	-41.6	174.5	-71.7	173	6.6	0	0	112.2	E211 E212 F213 V217 W218 K219	E211-Q215 WeakPolarHBondContact O-CG 3.23Å; E211-Q215 PolarHBondContact O-N 2.93Å; E212-Q215 PolarHBondContact O-N 2.58Å; F213-Q215 VanDerWaalsContact C-N 3.26Å; F213-Q215 PolarHBondContact O-N 3.01Å; Q215-V217 VanDerWaalsContact C-N 3.34Å; Q215-W218 PolarHBondContact O-N 3.27Å; Q215-K219 PolarHBondContact O-N 3.32Å
216	E	95.1	Very high	92.4	Very high	45 Å²	45	66.6 Å²	66.6	21%	0.21	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-37.5	175	-68.5	-71.8	171.5	0	0	111.8	V193 L197 K201 E212 F213 K219 W220	V193-E216 HydrophobicContact CG1-CB 4.42Å; L197-E216 HydrophobicContact CD1-CB 4.31Å; L197-E216 HydrophobicContact CD1-CG 4.48Å; L197-E216 HydrophobicContact CD2-CG 4.2Å; K201-E216 IonicContact NZ-OE1 3.32Å; K201-E216 PolarHBondContact NZ-OE1 2.84Å; K201-E216 IonicContact NZ-OE2 2.95Å; E212-E216 PolarHBondContact O-N 3.31Å; F213-E216 WeakPolarHBondContact O-CB 3.23Å; F213-E216 PolarHBondContact O-N 3.37Å; F213-E216 VanDerWaalsContact O-N 3.12Å; E216-K219 PolarHBondContact O-N 2.75Å; E216-W220 PolarHBondContact O-N 2.87Å
217	V	94.6	Very high	92.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-41.8	175.6	-175.7	0	0	0	0	111.6	T189 V193 F213 L214 Q215 W220 K221 W527	T189-V217 HydrophobicContact CG2-CG1 3.86Å; V193-V217 HydrophobicContact CB-CG2 4.24Å; V193-V217 HydrophobicContact CG1-CG2 3.95Å; V193-V217 HydrophobicContact CG2-CG1 4.48Å; V193-V217 HydrophobicContact CG2-CG2 4.26Å; F213-V217 HydrophobicContact CD1-CG2 3.93Å; F213-V217 HydrophobicContact CE1-CG2 3.47Å; F213-V217 VanDerWaalsContact CE1-CG2 3.47Å; F213-V217 HydrophobicContact CZ-CG2 3.82Å; F213-V217 WeakPolarHBondContact O-CG2 3.45Å; F213-V217 PolarHBondContact O-N 3.07Å; L214-V217 PolarHBondContact O-N 3.1Å; Q215-V217 VanDerWaalsContact C-N 3.34Å; V217-W220 WeakPolarHBondContact O-CB 3.07Å; V217-W220 PolarHBondContact O-N 2.8Å; V217-K221 PolarHBondContact O-N 3.05Å; V217-W527 HydrophobicContact CB-CD2 4.27Å; V217-W527 HydrophobicContact CB-CE3 3.93Å; V217-W527 HydrophobicContact CB-CZ3 4.16Å; V217-W527 HydrophobicContact CG1-CB 4.48Å; V217-W527 HydrophobicContact CG1-CD2 3.34Å; V217-W527 HydrophobicContact CG1-CE3 3.46Å; V217-W527 VanDerWaalsContact CG1-CE3 3.46Å; V217-W527 HydrophobicContact CG1-CG 3.82Å; V217-W527 HydrophobicContact CG1-CH2 4Å; V217-W527 HydrophobicContact CG1-CZ2 3.88Å; V217-W527 HydrophobicContact CG1-CZ3 3.79Å
218	W	95	Very high	92.9	Very high	95 Å²	95	60.2 Å²	60.2	36%	0.36	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-40	174.8	-85.7	111.7	0	0	0	112.6	L214 Q215 W220 K221 N222 F246 W527	L214-W218 VanDerWaalsContact O-CD1 3.25Å; L214-W218 PolarHBondContact O-N 3.11Å; Q215-W218 PolarHBondContact O-N 3.27Å; W218-W220 VanDerWaalsContact C-N 3.35Å; W218-W220 PolarHBondContact O-N 3.14Å; W218-K221 HydrophobicContact CE3-CD 4.08Å; W218-K221 HydrophobicContact CZ3-CD 3.99Å; W218-K221 PolarHBondContact O-N 3.48Å; W218-N222 VanDerWaalsContact O-CG 3.28Å; W218-N222 PolarHBondContact O-N 2.97Å; W218-N222 PolarHBondContact O-ND2 2.91Å; W218-F246 HydrophobicContact CH2-CD1 4.21Å; W218-F246 AromaticContact CH2-CE1 3.77Å; W218-F246 HydrophobicContact CH2-CE1 3.77Å; W218-F246 HydrophobicContact CZ3-CD1 4.23Å; W218-F246 AromaticContact CZ3-CE1 3.82Å; W218-F246 HydrophobicContact CZ3-CE1 3.82Å; W218-W527 AromaticContact CD1-CZ3 3.77Å; W218-W527 AromaticContact CD2-CH2 3.72Å; W218-W527 HydrophobicContact CD2-CH2 3.72Å; W218-W527 HydrophobicContact CD2-CZ3 4.08Å; W218-W527 AromaticContact CE2-CH2 3.58Å; W218-W527 AromaticContact CE2-CZ3 3.72Å; W218-W527 HydrophobicContact CE3-CH2 4.14Å; W218-W527 HydrophobicContact CG-CH2 4.12Å; W218-W527 HydrophobicContact CG-CZ3 4.11Å; W218-W527 HydrophobicContact CH2-CH2 4.31Å; W218-W527 AromaticContact CZ2-CH2 3.9Å; W218-W527 HydrophobicContact CZ2-CH2 3.9Å; W218-W527 HydrophobicContact CZ2-CZ3 4.27Å; W218-W527 HydrophobicContact CZ3-CH2 4.42Å; W218-W527 AromaticContact NE1-CH2 3.9Å; W218-W527 AromaticContact NE1-CZ3 3.53Å
219	K	93.9	Very high	93.1	Very high	105 Å²	105	60.3 Å²	60.3	46%	0.457	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-47.6	173.6	-177.5	179	176.9	-179.1	0	111.1	Q215 E216 K221 N222 E223	Q215-K219 PolarHBondContact O-N 3.32Å; E216-K219 PolarHBondContact O-N 2.75Å; K219-K221 PolarHBondContact O-N 3.41Å; K219-N222 PolarHBondContact O-N 3.47Å; K219-E223 WeakPolarHBondContact CE-OE1 3.29Å; K219-E223 WeakPolarHBondContact O-CG 3.46Å; K219-E223 PolarHBondContact O-N 3.16Å
220	W	92.6	Very high	93.1	Very high	26 Å²	26	62.7 Å²	62.7	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-46.1	175	173	-86.4	0	0	0	112.3	V147 V192 V193 E216 V217 W218 N222 E223 K224	V147-W220 PolarHBondContact O-NE1 3.27Å; V192-W220 HydrophobicContact CG1-CH2 3.56Å; V192-W220 HydrophobicContact CG1-CZ2 3.31Å; V192-W220 HydrophobicContact CG1-CZ3 4.35Å; V193-W220 HydrophobicContact CG2-CB 3.79Å; V193-W220 HydrophobicContact CG2-CD2 4.11Å; V193-W220 HydrophobicContact CG2-CG 3.66Å; E216-W220 PolarHBondContact O-N 2.87Å; V217-W220 WeakPolarHBondContact O-CB 3.07Å; V217-W220 PolarHBondContact O-N 2.8Å; W218-W220 VanDerWaalsContact C-N 3.35Å; W218-W220 PolarHBondContact O-N 3.14Å; W220-N222 VanDerWaalsContact C-N 3.32Å; W220-N222 PolarHBondContact O-N 3.21Å; W220-E223 PolarHBondContact O-N 3.48Å; W220-K224 HydrophobicContact CD2-CG 4.02Å; W220-K224 HydrophobicContact CG-CG 4.47Å; W220-K224 HydrophobicContact CH2-CG 4.31Å; W220-K224 HydrophobicContact CZ2-CD 4.37Å; W220-K224 HydrophobicContact CZ2-CG 3.76Å; W220-K224 WeakPolarHBondContact O-CB 3.47Å; W220-K224 PolarHBondContact O-N 3.03Å
221	K	93.3	Very high	93.4	Very high	32 Å²	32	60 Å²	60	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-57.5	-45.1	177.4	178.8	-87.6	179.3	178.8	0	111.4	V147 V217 W218 K219 G225 F246	V147-K221 HydrophobicContact CG1-CG 4.34Å; V147-K221 HydrophobicContact CG2-CG 4.33Å; V217-K221 PolarHBondContact O-N 3.05Å; W218-K221 HydrophobicContact CE3-CD 4.08Å; W218-K221 HydrophobicContact CZ3-CD 3.99Å; W218-K221 PolarHBondContact O-N 3.48Å; K219-K221 PolarHBondContact O-N 3.41Å; K221-G225 WeakPolarHBondContact O-CA 3.49Å; K221-G225 PolarHBondContact O-N 3.16Å; K221-F246 HydrophobicContact CD-CD1 4.48Å; K221-F246 HydrophobicContact CD-CE1 4.2Å; K221-F246 HydrophobicContact CD-CE2 4.48Å; K221-F246 HydrophobicContact CD-CZ 4.24Å; K221-F246 VanDerWaalsContact CE-CD1 3.48Å; K221-F246 VanDerWaalsContact CE-CG 3.44Å; K221-F246 HydrophobicContact CG-CE1 4.1Å; K221-F246 HydrophobicContact CG-CE2 3.95Å; K221-F246 HydrophobicContact CG-CZ 3.68Å
222	N	92.1	Very high	93.6	Very high	87 Å²	87	54.2 Å²	54.2	47%	0.465	25%	0.25	S	C	.	.	H	α-helix	trans	-67.5	-44.3	-178.1	-68.4	-19.9	0	0	0	111.1	W218 K219 W220 E226	W218-N222 VanDerWaalsContact O-CG 3.28Å; W218-N222 PolarHBondContact O-N 2.97Å; W218-N222 PolarHBondContact O-ND2 2.91Å; K219-N222 PolarHBondContact O-N 3.47Å; W220-N222 VanDerWaalsContact C-N 3.32Å; W220-N222 PolarHBondContact O-N 3.21Å; N222-E226 WeakPolarHBondContact O-CG 3.12Å; N222-E226 PolarHBondContact O-N 3Å
223	E	89.9	Confident	93.7	Very high	82 Å²	82	52.5 Å²	52.5	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-60.1	-48.6	175.5	-70.9	171.1	-177.4	0	0	111.9	R196 K219 W220 E227	R196-E223 IonicContact NH1-OE2 2.99Å; R196-E223 PolarHBondContact NH1-OE2 3.08Å; R196-E223 IonicContact NH2-OE2 4Å; K219-E223 WeakPolarHBondContact CE-OE1 3.29Å; K219-E223 WeakPolarHBondContact O-CG 3.46Å; K219-E223 PolarHBondContact O-N 3.16Å; W220-E223 PolarHBondContact O-N 3.48Å; E223-E227 PolarHBondContact O-N 3.31Å
224	K	89.4	Confident	93.8	Very high	44 Å²	44	53.4 Å²	53.4	19%	0.191	25%	0.248	C	C	.	.	H	α-helix	trans	-81.4	-30.6	-174.9	-65.1	-55.4	177.5	-175	0	114.6	W220 E227 I228	W220-K224 HydrophobicContact CD2-CG 4.02Å; W220-K224 HydrophobicContact CG-CG 4.47Å; W220-K224 HydrophobicContact CH2-CG 4.31Å; W220-K224 HydrophobicContact CZ2-CD 4.37Å; W220-K224 HydrophobicContact CZ2-CG 3.76Å; W220-K224 WeakPolarHBondContact O-CB 3.47Å; W220-K224 PolarHBondContact O-N 3.03Å; K224-E227 VanDerWaalsContact CD-OE2 3.26Å; K224-E227 WeakPolarHBondContact CD-OE2 3.43Å; K224-E227 IonicContact NZ-OE2 2.83Å; K224-E227 PolarHBondContact NZ-OE2 2.56Å; K224-E227 PolarHBondContact O-N 2.75Å; K224-I228 VanDerWaalsContact O-CG1 3.3Å; K224-I228 WeakPolarHBondContact O-CG1 3.18Å; K224-I228 PolarHBondContact O-N 2.92Å
225	G	89.1	Confident	94	Very high	6 Å²	6	51.4 Å²	51.4	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-46	173.8	0	0	0	0	0	111.5	K221 E227 I228 Y229	K221-G225 WeakPolarHBondContact O-CA 3.49Å; K221-G225 PolarHBondContact O-N 3.16Å; G225-E227 VanDerWaalsContact C-N 3.34Å; G225-E227 PolarHBondContact O-N 2.89Å; G225-I228 PolarHBondContact O-N 3.11Å; G225-Y229 PolarHBondContact O-N 3.24Å
226	E	89.7	Confident	94	Very high	129 Å²	129	45 Å²	45	60%	0.603	21%	0.208	S	C	*	.	H	α-helix	trans	-63.3	-40	176.2	-69.8	-56.5	137.1	0	0	112.1	N222 Y229 H230	N222-E226 WeakPolarHBondContact O-CG 3.12Å; N222-E226 PolarHBondContact O-N 3Å; E226-Y229 PolarHBondContact O-N 3.43Å; E226-H230 WeakPolarHBondContact O-CB 3.44Å; E226-H230 PolarHBondContact O-N 2.81Å
227	E	92.8	Very high	94.2	Very high	68 Å²	68	42.8 Å²	42.8	32%	0.318	20%	0.198	S	C	.	.	H	α-helix	trans	-62.5	-45.2	175.7	-170.9	172	-167.3	0	0	111.9	T150 E223 K224 G225 Y229 H230 Q231	T150-E227 HydrophobicContact CG2-CG 4.07Å; T150-E227 WeakPolarHBondContact CG2-OE1 3.43Å; E223-E227 PolarHBondContact O-N 3.31Å; K224-E227 VanDerWaalsContact CD-OE2 3.26Å; K224-E227 WeakPolarHBondContact CD-OE2 3.43Å; K224-E227 IonicContact NZ-OE2 2.83Å; K224-E227 PolarHBondContact NZ-OE2 2.56Å; K224-E227 PolarHBondContact O-N 2.75Å; G225-E227 VanDerWaalsContact C-N 3.34Å; G225-E227 PolarHBondContact O-N 2.89Å; E227-Y229 PolarHBondContact O-N 3.44Å; E227-H230 WeakPolarHBondContact O-CB 3.15Å; E227-H230 PolarHBondContact O-N 3.08Å; E227-Q231 WeakPolarHBondContact O-CG 3.29Å; E227-Q231 PolarHBondContact O-N 3.47Å
228	I	94.6	Very high	94.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-47.5	175	-72.7	164.2	0	0	0	110.5	P145 L151 K224 G225 H230 Q231 L232	P145-I228 HydrophobicContact CB-CD1 4.43Å; P145-I228 HydrophobicContact CB-CG2 4.15Å; P145-I228 HydrophobicContact CG-CG2 4.14Å; L151-I228 HydrophobicContact CD1-CG2 4.35Å; L151-I228 HydrophobicContact CD2-CG1 4.21Å; L151-I228 HydrophobicContact CD2-CG2 4.03Å; L151-I228 HydrophobicContact CG-CG1 4.39Å; L151-I228 HydrophobicContact CG-CG2 4.28Å; K224-I228 VanDerWaalsContact O-CG1 3.3Å; K224-I228 WeakPolarHBondContact O-CG1 3.18Å; K224-I228 PolarHBondContact O-N 2.92Å; G225-I228 PolarHBondContact O-N 3.11Å; I228-H230 VanDerWaalsContact C-N 3.32Å; I228-H230 PolarHBondContact O-N 2.98Å; I228-Q231 PolarHBondContact O-N 3.27Å; I228-L232 HydrophobicContact CG2-CD1 4.21Å; I228-L232 HydrophobicContact CG2-CG 4.48Å; I228-L232 WeakPolarHBondContact O-CG 3.14Å; I228-L232 PolarHBondContact O-N 3.13Å
229	Y	95.3	Very high	94.5	Very high	28 Å²	28	38.3 Å²	38.3	11%	0.11	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-38.6	178.5	-70.4	-9.8	0	0	0	112.1	C182 G225 E226 E227 L232 R233 W241	C182-Y229 WeakPolarHBondContact SG-CE1 3.29Å; G225-Y229 PolarHBondContact O-N 3.24Å; E226-Y229 PolarHBondContact O-N 3.43Å; E227-Y229 PolarHBondContact O-N 3.44Å; Y229-L232 HydrophobicContact CD1-CD1 4.36Å; Y229-L232 PolarHBondContact O-N 3.36Å; Y229-R233 VanDerWaalsContact O-CG 3.31Å; Y229-R233 WeakPolarHBondContact O-CG 3.35Å; Y229-R233 PolarHBondContact O-N 3.17Å; Y229-W241 HydrophobicContact CD1-CH2 4.49Å; Y229-W241 AromaticContact CD1-CZ3 3.84Å; Y229-W241 HydrophobicContact CD1-CZ3 3.84Å; Y229-W241 HydrophobicContact CD2-CZ3 4.49Å; Y229-W241 HydrophobicContact CE1-CZ3 4.39Å; Y229-W241 AromaticContact CG-CZ3 3.89Å; Y229-W241 HydrophobicContact CG-CZ3 3.89Å
230	H	95.4	Very high	94.6	Very high	118 Å²	118	33.7 Å²	33.7	55%	0.546	16%	0.161	S	C	.	.	H	α-helix	trans	-62.1	-43.7	173	-178.3	70.4	0	0	0	112	E226 E227 I228 L232 R233 G234	E226-H230 WeakPolarHBondContact O-CB 3.44Å; E226-H230 PolarHBondContact O-N 2.81Å; E227-H230 WeakPolarHBondContact O-CB 3.15Å; E227-H230 PolarHBondContact O-N 3.08Å; I228-H230 VanDerWaalsContact C-N 3.32Å; I228-H230 PolarHBondContact O-N 2.98Å; H230-L232 PolarHBondContact O-N 3.14Å; H230-R233 PolarHBondContact O-N 3.18Å; H230-G234 PolarHBondContact O-N 3.23Å
231	Q	96.4	Very high	94.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-42.1	176.4	-69.5	179.8	-68	0	0	112.1	L151 E227 I228 G234 L235 D669 L671	L151-Q231 HydrophobicContact CD1-CB 3.84Å; L151-Q231 HydrophobicContact CG-CB 4.25Å; E227-Q231 WeakPolarHBondContact O-CG 3.29Å; E227-Q231 PolarHBondContact O-N 3.47Å; I228-Q231 PolarHBondContact O-N 3.27Å; Q231-G234 PolarHBondContact O-N 3.2Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 3.44Å; Q231-D669 PolarHBondContact NE2-OD1 3.45Å; Q231-L671 HydrophobicContact CG-CD1 3.75Å; Q231-L671 HydrophobicContact CG-CG 3.98Å
232	L	97.6	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-42.1	175.9	-69.6	177.8	0	0	0	112.1	I142 L151 V159 I228 Y229 H230 L235 G236 A237 L239 W241	I142-L232 HydrophobicContact CD1-CD1 4.1Å; I142-L232 HydrophobicContact CD1-CD2 3.86Å; L151-L232 HydrophobicContact CD1-CD2 3.67Å; L151-L232 HydrophobicContact CD1-CG 3.93Å; V159-L232 HydrophobicContact CG2-CD2 3.46Å; V159-L232 VanDerWaalsContact CG2-CD2 3.46Å; I228-L232 HydrophobicContact CG2-CD1 4.21Å; I228-L232 HydrophobicContact CG2-CG 4.48Å; I228-L232 WeakPolarHBondContact O-CG 3.14Å; I228-L232 PolarHBondContact O-N 3.13Å; Y229-L232 HydrophobicContact CD1-CD1 4.36Å; Y229-L232 PolarHBondContact O-N 3.36Å; H230-L232 PolarHBondContact O-N 3.14Å; L232-L235 PolarHBondContact O-N 2.83Å; L232-G236 PolarHBondContact O-N 3.49Å; L232-A237 VanDerWaalsContact O-CB 3.29Å; L232-A237 WeakPolarHBondContact O-CB 3.4Å; L232-A237 PolarHBondContact O-N 3.45Å; L232-L239 HydrophobicContact CB-CD1 4.26Å; L232-L239 HydrophobicContact CD1-CD1 4.02Å; L232-W241 HydrophobicContact CB-CH2 3.74Å; L232-W241 HydrophobicContact CB-CZ2 4.24Å; L232-W241 HydrophobicContact CD1-CH2 4.09Å
233	R	97	Very high	94.9	Very high	58 Å²	58	34.4 Å²	34.4	22%	0.219	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-44	172.7	-68.4	-170.1	168	74.1	-3.2	111.7	Y113 E117 Y229 H230 L235 G236 W241	Y113-R233 HydrophobicContact CD1-CB 3.97Å; Y113-R233 HydrophobicContact CD1-CG 4.2Å; Y113-R233 VanDerWaalsContact CD2-O 3.28Å; Y113-R233 WeakPolarHBondContact CD2-O 3.42Å; Y113-R233 HydrophobicContact CE1-CB 3.48Å; Y113-R233 VanDerWaalsContact CE1-CB 3.48Å; Y113-R233 HydrophobicContact CE1-CG 3.32Å; Y113-R233 HydrophobicContact CE2-CB 4.37Å; Y113-R233 WeakPolarHBondContact CE2-O 3.43Å; Y113-R233 WeakPolarHBondContact OH-CG 3.49Å; E117-R233 IonicContact OE1-CZ 2.9Å; E117-R233 IonicContact OE1-NE 2.8Å; E117-R233 PolarHBondContact OE1-NE 3.12Å; E117-R233 IonicContact OE1-NH2 2.66Å; E117-R233 PolarHBondContact OE1-NH2 3.45Å; E117-R233 IonicContact OE2-CZ 3.7Å; E117-R233 IonicContact OE2-NE 3.93Å; E117-R233 PolarHBondContact OE2-NE 3.33Å; E117-R233 IonicContact OE2-NH2 3.62Å; Y229-R233 VanDerWaalsContact O-CG 3.31Å; Y229-R233 WeakPolarHBondContact O-CG 3.35Å; Y229-R233 PolarHBondContact O-N 3.17Å; H230-R233 PolarHBondContact O-N 3.18Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 PolarHBondContact O-N 2.71Å; R233-G236 WeakPolarHBondContact O-CA 3.16Å; R233-G236 PolarHBondContact O-N 3.04Å; R233-W241 HydrophobicContact CG-CH2 4.19Å; R233-W241 HydrophobicContact CG-CZ2 3.61Å
234	G	96.4	Very high	95.1	Very high	19 Å²	19	32.3 Å²	32.3	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-43.4	175.2	0	0	0	0	0	112	H230 Q231 G236 M674 T716	H230-G234 PolarHBondContact O-N 3.23Å; Q231-G234 PolarHBondContact O-N 3.2Å; G234-G236 PolarHBondContact O-N 2.98Å; G234-M674 VanDerWaalsContact O-CE 3.24Å; G234-M674 WeakPolarHBondContact O-CE 3.3Å; G234-T716 WeakPolarHBondContact O-CG2 3.26Å; G234-T716 PolarHBondContact O-OG1 2.84Å
235	L	97.8	Very high	95.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-3.8	175.1	-72.8	167.7	0	0	0	114.2	A156 V159 Q231 L232 R233 A237 P670 M674 L719 R720	A156-L235 HydrophobicContact CB-CD1 4.13Å; A156-L235 HydrophobicContact CB-CD2 3.98Å; V159-L235 HydrophobicContact CB-CD1 4.3Å; V159-L235 HydrophobicContact CG1-CB 4.01Å; V159-L235 HydrophobicContact CG1-CD1 4.19Å; V159-L235 HydrophobicContact CG2-CD1 4.36Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 3.44Å; L232-L235 PolarHBondContact O-N 2.83Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 PolarHBondContact O-N 2.71Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 3.46Å; L235-P670 HydrophobicContact CD1-CG 4.45Å; L235-P670 HydrophobicContact CD2-CB 4Å; L235-P670 HydrophobicContact CG-CB 4.5Å; L235-M674 HydrophobicContact CD2-SD 3.98Å; L235-M674 HydrophobicContact CG-SD 4.46Å; L235-L719 HydrophobicContact CD2-CD2 4.11Å; L235-R720 WeakPolarHBondContact O-CD 3.39Å; L235-R720 PolarHBondContact O-NH1 2.95Å
236	G	97.3	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	24	-179	0	0	0	0	0	113.8	D163 R167 L232 R233 G234 S238 R720	D163-G236 VanDerWaalsContact OD2-O 3.09Å; R167-G236 PolarHBondContact NH2-O 3.12Å; L232-G236 PolarHBondContact O-N 3.49Å; R233-G236 WeakPolarHBondContact O-CA 3.16Å; R233-G236 PolarHBondContact O-N 3.04Å; G234-G236 PolarHBondContact O-N 2.98Å; G236-S238 PolarHBondContact O-N 2.91Å; G236-R720 PolarHBondContact O-NH1 3.41Å
237	A	98	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.			trans	-62.7	121	-179.9	0	0	0	0	0	110.9	Y113 V159 W178 L232 L235 L239	Y113-A237 PolarHBondContact OH-O 3.2Å; V159-A237 HydrophobicContact CG1-CB 3.75Å; W178-A237 HydrophobicContact CH2-CB 3.95Å; W178-A237 HydrophobicContact CZ3-CB 3.94Å; L232-A237 VanDerWaalsContact O-CB 3.29Å; L232-A237 WeakPolarHBondContact O-CB 3.4Å; L232-A237 PolarHBondContact O-N 3.45Å; L235-A237 VanDerWaalsContact C-N 3.32Å; L235-A237 PolarHBondContact O-N 3.46Å; A237-L239 HydrophobicContact CB-CD1 3.64Å; A237-L239 HydrophobicContact CB-CG 4Å; A237-L239 PolarHBondContact O-N 2.66Å
238	S	97.8	Very high	96.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	12%	0.123	C	C	.	.			trans	-82.5	50.9	179.4	67.6	0	0	0	0	113.5	D163 R170 G236	D163-S238 WeakPolarHBondContact OD1-CA 3.43Å; D163-S238 WeakPolarHBondContact OD1-CB 3.27Å; D163-S238 PolarHBondContact OD1-N 2.73Å; D163-S238 PolarHBondContact OD1-OG 3.48Å; R170-S238 VanDerWaalsContact NH1-CB 3.31Å; R170-S238 PolarHBondContact NH1-OG 3.09Å; R170-S238 PolarHBondContact NH2-O 3.5Å; R170-S238 PolarHBondContact NH2-OG 2.81Å; G236-S238 PolarHBondContact O-N 2.91Å
239	L	97.4	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.			trans	-76.2	145.9	179.6	-71.3	157.7	0	0	0	111.5	F122 I142 W178 P180 L232 A237 W241	F122-L239 WeakPolarHBondContact CD2-O 3.27Å; I142-L239 HydrophobicContact CB-CD2 4.44Å; I142-L239 HydrophobicContact CD1-CD1 4.48Å; W178-L239 HydrophobicContact CB-CD2 4.48Å; W178-L239 HydrophobicContact CD2-CD2 3.35Å; W178-L239 HydrophobicContact CD2-CG 4Å; W178-L239 VanDerWaalsContact CE2-CD2 3.43Å; W178-L239 HydrophobicContact CE3-CD2 3.72Å; W178-L239 HydrophobicContact CE3-CG 3.8Å; W178-L239 HydrophobicContact CG-CD2 3.7Å; W178-L239 HydrophobicContact CH2-CD2 4.23Å; W178-L239 HydrophobicContact CH2-CG 4.18Å; W178-L239 HydrophobicContact CZ2-CD2 3.89Å; W178-L239 HydrophobicContact CZ2-CG 4.33Å; W178-L239 HydrophobicContact CZ3-CD2 4.13Å; W178-L239 HydrophobicContact CZ3-CG 3.9Å; P180-L239 HydrophobicContact CB-CB 4.11Å; P180-L239 HydrophobicContact CB-CD1 4.13Å; P180-L239 HydrophobicContact CB-CD2 4Å; P180-L239 HydrophobicContact CB-CG 4.3Å; P180-L239 HydrophobicContact CG-CB 4.05Å; P180-L239 HydrophobicContact CG-CD2 4.49Å; L232-L239 HydrophobicContact CB-CD1 4.26Å; L232-L239 HydrophobicContact CD1-CD1 4.02Å; A237-L239 HydrophobicContact CB-CD1 3.64Å; A237-L239 HydrophobicContact CB-CG 4Å; A237-L239 PolarHBondContact O-N 2.66Å; L239-W241 HydrophobicContact CB-CD2 4.45Å; L239-W241 HydrophobicContact CB-CH2 4.5Å; L239-W241 HydrophobicContact CB-CZ2 3.99Å; L239-W241 HydrophobicContact CD1-CH2 3.77Å; L239-W241 HydrophobicContact CD1-CZ2 3.79Å; L239-W241 VanDerWaalsContact O-CD1 3.26Å; L239-W241 PolarHBondContact O-N 2.92Å; L239-W241 VanDerWaalsContact O-N 3.15Å; L239-W241 PolarHBondContact O-NE1 3.34Å
240	D	96.7	Very high	96.1	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	16%	0.159	C	C	.	.			trans	-82.8	88.5	171.7	-175	2.8	0	0	0	111.2	L177 W178 P180 S242 R243	L177-D240 HydrophobicContact CD1-CB 4.29Å; W178-D240 PolarHBondContact O-N 2.81Å; P180-D240 WeakPolarHBondContact CD-O 3.41Å; P180-D240 VanDerWaalsContact CG-O 3.28Å; P180-D240 WeakPolarHBondContact CG-O 3.33Å; D240-S242 VanDerWaalsContact CG-OG 3.31Å; D240-S242 PolarHBondContact O-N 2.75Å; D240-S242 VanDerWaalsContact O-N 3.13Å; D240-S242 WeakPolarHBondContact OD1-CB 3.16Å; D240-S242 PolarHBondContact OD1-N 3.1Å; D240-S242 PolarHBondContact OD1-OG 2.99Å; D240-S242 PolarHBondContact OD2-OG 2.84Å; D240-R243 PolarHBondContact O-N 3.38Å; D240-R243 WeakPolarHBondContact OD2-CD 3.38Å; D240-R243 IonicContact OD2-CZ 2.72Å; D240-R243 IonicContact OD2-NE 3.01Å; D240-R243 IonicContact OD2-NH1 3.72Å; D240-R243 PolarHBondContact OD2-NH1 2.86Å
241	W	95.4	Very high	96	Very high	30 Å²	30	24.2 Å²	24.2	11%	0.114	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-61.2	-19.7	-178.7	-59.6	102.4	0	0	0	114.4	Y113 P180 Y229 L232 R233 L239 R243 A244	Y113-W241 AromaticContact CZ-NE1 3.83Å; Y113-W241 VanDerWaalsContact OH-CE2 3.25Å; Y113-W241 VanDerWaalsContact OH-CZ2 3.3Å; Y113-W241 WeakPolarHBondContact OH-CZ2 3.45Å; Y113-W241 PolarHBondContact OH-NE1 3.01Å; P180-W241 HydrophobicContact CB-CE3 4.08Å; P180-W241 HydrophobicContact CB-CZ3 3.92Å; P180-W241 HydrophobicContact CG-CD2 4.45Å; P180-W241 HydrophobicContact CG-CE3 3.97Å; P180-W241 HydrophobicContact CG-CZ3 4.34Å; Y229-W241 HydrophobicContact CD1-CH2 4.49Å; Y229-W241 AromaticContact CD1-CZ3 3.84Å; Y229-W241 HydrophobicContact CD1-CZ3 3.84Å; Y229-W241 HydrophobicContact CD2-CZ3 4.49Å; Y229-W241 HydrophobicContact CE1-CZ3 4.39Å; Y229-W241 AromaticContact CG-CZ3 3.89Å; Y229-W241 HydrophobicContact CG-CZ3 3.89Å; L232-W241 HydrophobicContact CB-CH2 3.74Å; L232-W241 HydrophobicContact CB-CZ2 4.24Å; L232-W241 HydrophobicContact CD1-CH2 4.09Å; R233-W241 HydrophobicContact CG-CH2 4.19Å; R233-W241 HydrophobicContact CG-CZ2 3.61Å; L239-W241 HydrophobicContact CB-CD2 4.45Å; L239-W241 HydrophobicContact CB-CH2 4.5Å; L239-W241 HydrophobicContact CB-CZ2 3.99Å; L239-W241 HydrophobicContact CD1-CH2 3.77Å; L239-W241 HydrophobicContact CD1-CZ2 3.79Å; L239-W241 VanDerWaalsContact O-CD1 3.26Å; L239-W241 PolarHBondContact O-N 2.92Å; L239-W241 VanDerWaalsContact O-N 3.15Å; L239-W241 PolarHBondContact O-NE1 3.34Å; W241-R243 PolarHBondContact O-N 3.43Å; W241-A244 WeakPolarHBondContact O-CB 3.5Å; W241-A244 PolarHBondContact O-N 3.46Å
242	S	94.2	Very high	96	Very high	87 Å²	87	24.6 Å²	24.6	61%	0.608	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-66.2	-19	175.3	72.5	0	0	0	0	112.9	D240	D240-S242 VanDerWaalsContact CG-OG 3.31Å; D240-S242 PolarHBondContact O-N 2.75Å; D240-S242 VanDerWaalsContact O-N 3.13Å; D240-S242 WeakPolarHBondContact OD1-CB 3.16Å; D240-S242 PolarHBondContact OD1-N 3.1Å; D240-S242 PolarHBondContact OD1-OG 2.99Å; D240-S242 PolarHBondContact OD2-OG 2.84Å
243	R	94.6	Very high	95.9	Very high	44 Å²	44	26 Å²	26	17%	0.166	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-110.2	15.5	178.8	-67.5	173.6	168.5	83.4	-0.9	113	V179 D240 W241 C245 D606	V179-R243 HydrophobicContact CG1-CB 4.23Å; V179-R243 WeakPolarHBondContact CG1-O 3.37Å; D240-R243 PolarHBondContact O-N 3.38Å; D240-R243 WeakPolarHBondContact OD2-CD 3.38Å; D240-R243 IonicContact OD2-CZ 2.72Å; D240-R243 IonicContact OD2-NE 3.01Å; D240-R243 IonicContact OD2-NH1 3.72Å; D240-R243 PolarHBondContact OD2-NH1 2.86Å; W241-R243 PolarHBondContact O-N 3.43Å; R243-C245 PolarHBondContact O-N 3.02Å; R243-D606 IonicContact CZ-OD1 2.73Å; R243-D606 IonicContact CZ-OD2 2.7Å; R243-D606 IonicContact NE-OD1 2.71Å; R243-D606 IonicContact NE-OD2 2.87Å; R243-D606 PolarHBondContact NE-OD2 3.5Å; R243-D606 IonicContact NH2-OD1 3.54Å; R243-D606 PolarHBondContact NH2-OD1 2.95Å; R243-D606 IonicContact NH2-OD2 3.74Å; R243-D606 PolarHBondContact NH2-OD2 3.05Å
244	A	94.9	Very high	95.9	Very high	38 Å²	38	30.8 Å²	30.8	31%	0.314	18%	0.18	S	C	.	.			trans	-58.6	126.8	176.9	0	0	0	0	0	110.8	P180 W241	P180-A244 HydrophobicContact CB-CB 4.42Å; P180-A244 HydrophobicContact CG-CB 3.9Å; P180-A244 WeakPolarHBondContact O-CA 3.29Å; W241-A244 WeakPolarHBondContact O-CB 3.5Å; W241-A244 PolarHBondContact O-N 3.46Å
245	C	94.1	Very high	96	Very high	16 Å²	16	29.9 Å²	29.9	11%	0.108	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.2	-177.6	63.1	0	0	0	0	112.4	P180 G181 C182 R243 F593	P180-C245 PolarHBondContact O-N 2.86Å; G181-C245 CarbonylContact C-O 3.51Å; G181-C245 WeakPolarHBondContact CA-O 3.32Å; C182-C245 PolarHBondContact N-O 3.15Å; R243-C245 PolarHBondContact O-N 3.02Å; C245-F593 VanDerWaalsContact SG-CZ 3.51Å
246	F	95.9	Very high	96	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.4	171.3	174.2	-117.9	0	0	0	109	V147 C182 H184 W218 K221 M248 D249 W527	V147-F246 HydrophobicContact CG1-CE2 4.19Å; V147-F246 HydrophobicContact CG2-CE2 4.38Å; C182-F246 HydrophobicContact CB-CD2 4.06Å; C182-F246 WeakPolarHBondContact O-CA 3.38Å; C182-F246 VanDerWaalsContact O-CD2 3.26Å; C182-F246 WeakPolarHBondContact O-CD2 3.46Å; H184-F246 VanDerWaalsContact CA-CE2 3.47Å; H184-F246 HydrophobicContact CB-CE1 4.37Å; H184-F246 HydrophobicContact CB-CE2 3.76Å; H184-F246 HydrophobicContact CB-CZ 3.43Å; H184-F246 VanDerWaalsContact CB-CZ 3.43Å; H184-F246 VanDerWaalsContact N-CE2 3.35Å; W218-F246 HydrophobicContact CH2-CD1 4.21Å; W218-F246 AromaticContact CH2-CE1 3.77Å; W218-F246 HydrophobicContact CH2-CE1 3.77Å; W218-F246 HydrophobicContact CZ3-CD1 4.23Å; W218-F246 AromaticContact CZ3-CE1 3.82Å; W218-F246 HydrophobicContact CZ3-CE1 3.82Å; K221-F246 HydrophobicContact CD-CD1 4.48Å; K221-F246 HydrophobicContact CD-CE1 4.2Å; K221-F246 HydrophobicContact CD-CE2 4.48Å; K221-F246 HydrophobicContact CD-CZ 4.24Å; K221-F246 VanDerWaalsContact CE-CD1 3.48Å; K221-F246 VanDerWaalsContact CE-CG 3.44Å; K221-F246 HydrophobicContact CG-CE1 4.1Å; K221-F246 HydrophobicContact CG-CE2 3.95Å; K221-F246 HydrophobicContact CG-CZ 3.68Å; F246-M248 HydrophobicContact CD1-CB 4.02Å; F246-M248 HydrophobicContact CE1-CB 3.62Å; F246-M248 HydrophobicContact CE1-CG 4.25Å; F246-M248 HydrophobicContact CZ-CB 4.36Å; F246-M248 PolarHBondContact O-N 3.06Å; F246-D249 PolarHBondContact N-OD2 3.37Å; F246-D249 WeakPolarHBondContact O-CB 3.44Å; F246-D249 PolarHBondContact O-N 3.42Å; F246-W527 HydrophobicContact CE1-CZ2 4.42Å; F246-W527 HydrophobicContact CZ-CZ2 4.01Å
247	T	95.9	Very high	96	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.3	-173	53.7	0	0	0	0	113.9	C182 D183 H184 F252 H529 F593	C182-T247 PolarHBondContact O-N 2.91Å; D183-T247 HydrophobicContact CB-CG2 4.19Å; D183-T247 PolarHBondContact OD1-OG1 3.38Å; H184-T247 WeakPolarHBondContact CB-OG1 3.48Å; H184-T247 PolarHBondContact N-OG1 3.44Å; H184-T247 PolarHBondContact ND1-OG1 3.39Å; T247-F252 HydrophobicContact CG2-CE1 4.37Å; T247-F252 HydrophobicContact CG2-CE2 4.46Å; T247-F252 HydrophobicContact CG2-CZ 4.15Å; T247-F252 WeakPolarHBondContact O-CB 3.27Å; T247-F252 WeakPolarHBondContact O-CD1 3.39Å; T247-F252 WeakPolarHBondContact O-CG 3.4Å; T247-H529 PolarHBondContact O-CE1 3.31Å; T247-H529 PolarHBondContact O-NE2 3.13Å; T247-H529 VanDerWaalsContact O-NE2 3.07Å; T247-F593 HydrophobicContact CG2-CD2 4.24Å
248	M	95.5	Very high	96	Very high	27 Å²	27	32.5 Å²	32.5	13%	0.133	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	16.7	173.9	-58.8	176.2	63.6	0	0	114.2	H184 F246 S253 W527 G528	H184-M248 HydrophobicContact CB-CG 3.79Å; H184-M248 HydrophobicContact CB-SD 3.57Å; H184-M248 VanDerWaalsContact CB-SD 3.57Å; H184-M248 PolarHBondContact CD2-SD 2.95Å; F246-M248 HydrophobicContact CD1-CB 4.02Å; F246-M248 HydrophobicContact CE1-CB 3.62Å; F246-M248 HydrophobicContact CE1-CG 4.25Å; F246-M248 HydrophobicContact CZ-CB 4.36Å; F246-M248 PolarHBondContact O-N 3.06Å; M248-S253 PolarHBondContact O-OG 3.04Å; M248-W527 HydrophobicContact CE-CE3 4.48Å; M248-W527 HydrophobicContact CE-CH2 4.44Å; M248-W527 HydrophobicContact CE-CZ3 4.37Å; M248-W527 HydrophobicContact SD-CD2 4.25Å; M248-W527 HydrophobicContact SD-CH2 4.13Å; M248-W527 HydrophobicContact SD-CZ2 3.77Å; M248-G528 WeakPolarHBondContact CE-O 3.36Å
249	D	94.6	Very high	96	Very high	50 Å²	50	32.5 Å²	32.5	27%	0.267	19%	0.185	S	C	.	.	S	Bend	trans	-59.9	155.5	169.3	-75.1	-22.4	0	0	0	110.7	F246 G251 F252 S253	F246-D249 PolarHBondContact N-OD2 3.37Å; F246-D249 WeakPolarHBondContact O-CB 3.44Å; F246-D249 PolarHBondContact O-N 3.42Å; D249-G251 VanDerWaalsContact C-N 3.27Å; D249-G251 PolarHBondContact O-N 3.49Å; D249-F252 HydrophobicContact CB-CB 4.43Å; D249-F252 PolarHBondContact O-N 2.85Å; D249-F252 VanDerWaalsContact O-N 3.08Å; D249-S253 WeakPolarHBondContact O-CB 3.43Å; D249-S253 PolarHBondContact O-N 3.47Å; D249-S253 PolarHBondContact O-OG 2.87Å; D249-S253 VanDerWaalsContact O-OG 3.09Å
250	P	94.9	Very high	96.1	Very high	96 Å²	96	32.5 Å²	32.5	62%	0.623	19%	0.185	S	C	*	.	H	α-helix	trans	-55.7	-39.5	-177.2	-28.2	35.3	0	0	0	113.7	R254	P250-R254 WeakPolarHBondContact O-CG 3.32Å; P250-R254 PolarHBondContact O-N 2.67Å; P250-R254 VanDerWaalsContact O-N 3.17Å; P250-R254 PolarHBondContact O-NH1 2.95Å
251	G	93.8	Very high	96.1	Very high	34 Å²	34	32.1 Å²	32.1	35%	0.351	18%	0.183	S	C	.	.	H	α-helix	trans	-66	-45.6	176	0	0	0	0	0	112.8	D249 R254 A255	D249-G251 VanDerWaalsContact C-N 3.27Å; D249-G251 PolarHBondContact O-N 3.49Å; G251-R254 PolarHBondContact O-N 3.01Å; G251-A255 PolarHBondContact O-N 2.73Å
252	F	95.9	Very high	96.3	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-40.7	179.6	-151.2	-65.2	0	0	0	111.5	T247 D249 R254 A255 V256 S589 F593 T596	T247-F252 HydrophobicContact CG2-CE1 4.37Å; T247-F252 HydrophobicContact CG2-CE2 4.46Å; T247-F252 HydrophobicContact CG2-CZ 4.15Å; T247-F252 WeakPolarHBondContact O-CB 3.27Å; T247-F252 WeakPolarHBondContact O-CD1 3.39Å; T247-F252 WeakPolarHBondContact O-CG 3.4Å; D249-F252 HydrophobicContact CB-CB 4.43Å; D249-F252 PolarHBondContact O-N 2.85Å; D249-F252 VanDerWaalsContact O-N 3.08Å; F252-R254 VanDerWaalsContact C-N 3.35Å; F252-R254 PolarHBondContact O-N 3.13Å; F252-A255 WeakPolarHBondContact O-CB 3.44Å; F252-A255 PolarHBondContact O-N 3.24Å; F252-A255 VanDerWaalsContact O-N 3.13Å; F252-V256 HydrophobicContact CD1-CG2 3.99Å; F252-V256 HydrophobicContact CE1-CG2 4.19Å; F252-V256 WeakPolarHBondContact O-CG2 3.29Å; F252-V256 PolarHBondContact O-N 2.69Å; F252-S589 WeakPolarHBondContact CE1-O 3.49Å; F252-F593 AromaticContact CE2-CD2 3.59Å; F252-F593 HydrophobicContact CE2-CD2 3.59Å; F252-F593 HydrophobicContact CE2-CE2 4.05Å; F252-F593 HydrophobicContact CE2-CG 4.29Å; F252-F593 HydrophobicContact CZ-CB 4.2Å; F252-F593 AromaticContact CZ-CD2 3.78Å; F252-F593 HydrophobicContact CZ-CD2 3.78Å; F252-F593 HydrophobicContact CZ-CG 4.34Å; F252-T596 HydrophobicContact CB-CG2 4.06Å; F252-T596 HydrophobicContact CD1-CG2 3.63Å; F252-T596 HydrophobicContact CD2-CG2 3.42Å; F252-T596 VanDerWaalsContact CD2-CG2 3.42Å; F252-T596 HydrophobicContact CE1-CG2 3.82Å; F252-T596 HydrophobicContact CE2-CG2 3.63Å; F252-T596 HydrophobicContact CG-CG2 3.42Å; F252-T596 VanDerWaalsContact CG-CG2 3.42Å; F252-T596 HydrophobicContact CZ-CG2 3.82Å
253	S	96.5	Very high	96.5	Very high	31 Å²	31	31.1 Å²	31.1	22%	0.217	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-38.5	177	-62.1	0	0	0	0	112.3	M248 D249 A255 V256 T257 H529	M248-S253 PolarHBondContact O-OG 3.04Å; D249-S253 WeakPolarHBondContact O-CB 3.43Å; D249-S253 PolarHBondContact O-N 3.47Å; D249-S253 PolarHBondContact O-OG 2.87Å; D249-S253 VanDerWaalsContact O-OG 3.09Å; S253-A255 VanDerWaalsContact C-N 3.3Å; S253-A255 PolarHBondContact O-N 3.01Å; S253-V256 PolarHBondContact O-N 3.43Å; S253-T257 PolarHBondContact O-N 3.47Å; S253-T257 PolarHBondContact O-OG1 3.25Å; S253-H529 PolarHBondContact OG-CE1 3.34Å; S253-H529 PolarHBondContact OG-ND1 3.32Å
254	R	96.8	Very high	96.6	Very high	157 Å²	157	29.2 Å²	29.2	59%	0.592	16%	0.16	S	C	*	.	H	α-helix	trans	-60.9	-39.9	172.6	-74.8	-169.9	-54.7	-88.6	7.2	112.1	P250 G251 F252 T257 E258	P250-R254 WeakPolarHBondContact O-CG 3.32Å; P250-R254 PolarHBondContact O-N 2.67Å; P250-R254 VanDerWaalsContact O-N 3.17Å; P250-R254 PolarHBondContact O-NH1 2.95Å; G251-R254 PolarHBondContact O-N 3.01Å; F252-R254 VanDerWaalsContact C-N 3.35Å; F252-R254 PolarHBondContact O-N 3.13Å; R254-T257 PolarHBondContact O-N 3.13Å; R254-E258 WeakPolarHBondContact O-CB 3.47Å; R254-E258 PolarHBondContact O-N 2.82Å
255	A	97.8	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-43.1	175.6	0	0	0	0	0	112.3	G251 F252 S253 T257 E258 A259 T596 W600	G251-A255 PolarHBondContact O-N 2.73Å; F252-A255 WeakPolarHBondContact O-CB 3.44Å; F252-A255 PolarHBondContact O-N 3.24Å; F252-A255 VanDerWaalsContact O-N 3.13Å; S253-A255 VanDerWaalsContact C-N 3.3Å; S253-A255 PolarHBondContact O-N 3.01Å; A255-T257 VanDerWaalsContact C-N 3.32Å; A255-T257 PolarHBondContact O-N 3.4Å; A255-E258 PolarHBondContact O-N 2.98Å; A255-A259 WeakPolarHBondContact O-CB 3.34Å; A255-A259 PolarHBondContact O-N 3.27Å; A255-T596 HydrophobicContact CB-CG2 3.39Å; A255-W600 HydrophobicContact CB-CE3 3.76Å; A255-W600 HydrophobicContact CB-CZ3 3.9Å; A255-W600 VanDerWaalsContact CB-O 3.29Å; A255-W600 WeakPolarHBondContact CB-O 3.42Å; A255-W600 VanDerWaalsContact O-CZ3 3.23Å; A255-W600 WeakPolarHBondContact O-CZ3 3.46Å
256	V	98.1	Very high	96.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-44.5	174.8	174.1	0	0	0	0	111.1	F252 S253 A259 F260 H529 L584 F588 L592	F252-V256 HydrophobicContact CD1-CG2 3.99Å; F252-V256 HydrophobicContact CE1-CG2 4.19Å; F252-V256 WeakPolarHBondContact O-CG2 3.29Å; F252-V256 PolarHBondContact O-N 2.69Å; S253-V256 PolarHBondContact O-N 3.43Å; V256-A259 PolarHBondContact O-N 2.82Å; V256-F260 PolarHBondContact O-N 3.25Å; V256-H529 HydrophobicContact CG1-CB 3.97Å; V256-L584 HydrophobicContact CG1-CD1 3.48Å; V256-L584 VanDerWaalsContact CG1-CD1 3.48Å; V256-F588 HydrophobicContact CG1-CD1 4.09Å; V256-F588 HydrophobicContact CG1-CE1 4.11Å; V256-L592 HydrophobicContact CB-CD1 4.38Å; V256-L592 HydrophobicContact CG2-CD1 3.91Å
257	T	97.5	Very high	96.8	Very high	36 Å²	36	35.5 Å²	35.5	22%	0.221	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-46.2	174.7	-63.1	0	0	0	0	111.8	S253 R254 A255 A259 F260 V261 P532 R553	S253-T257 PolarHBondContact O-N 3.47Å; S253-T257 PolarHBondContact O-OG1 3.25Å; R254-T257 PolarHBondContact O-N 3.13Å; A255-T257 VanDerWaalsContact C-N 3.32Å; A255-T257 PolarHBondContact O-N 3.4Å; T257-A259 PolarHBondContact O-N 3.37Å; T257-F260 PolarHBondContact O-N 2.92Å; T257-V261 WeakPolarHBondContact O-CG2 3.21Å; T257-V261 PolarHBondContact O-N 2.85Å; T257-P532 HydrophobicContact CG2-CB 3.84Å; T257-P532 HydrophobicContact CG2-CG 4.07Å; T257-R553 HydrophobicContact CG2-CB 4.38Å; T257-R553 HydrophobicContact CG2-CG 4.49Å
258	E	98.1	Very high	96.8	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.093	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-44.7	177.5	-176.6	67.5	-167.5	0	0	112	R254 A255 V261 R262 R553 W600 P601	R254-E258 WeakPolarHBondContact O-CB 3.47Å; R254-E258 PolarHBondContact O-N 2.82Å; A255-E258 PolarHBondContact O-N 2.98Å; E258-V261 PolarHBondContact O-N 2.73Å; E258-R262 HydrophobicContact CG-CG 4.45Å; E258-R262 WeakPolarHBondContact O-CG 3.18Å; E258-R262 PolarHBondContact O-N 2.82Å; E258-R262 IonicContact OE1-CZ 3.93Å; E258-R262 VanDerWaalsContact OE1-CZ 3.26Å; E258-R262 IonicContact OE1-NE 3.8Å; E258-R262 PolarHBondContact OE1-NE 2.87Å; E258-R262 IonicContact OE1-NH2 2.8Å; E258-R262 PolarHBondContact OE1-NH2 3.29Å; E258-R553 VanDerWaalsContact CD-NH2 3.34Å; E258-R553 IonicContact OE1-CZ 2.72Å; E258-R553 IonicContact OE1-NE 3.98Å; E258-R553 IonicContact OE1-NH2 3.68Å; E258-R553 PolarHBondContact OE1-NH2 3.3Å; E258-R553 IonicContact OE2-CZ 2.69Å; E258-R553 VanDerWaalsContact OE2-CZ 3.31Å; E258-R553 IonicContact OE2-NE 3Å; E258-R553 PolarHBondContact OE2-NE 2.54Å; E258-R553 IonicContact OE2-NH2 3.66Å; E258-R553 PolarHBondContact OE2-NH2 2.73Å; E258-R553 VanDerWaalsContact OE2-NH2 3.15Å; E258-W600 HydrophobicContact CB-CH2 4.12Å; E258-W600 HydrophobicContact CB-CZ3 4.39Å; E258-W600 HydrophobicContact CG-CH2 3.95Å; E258-W600 HydrophobicContact CG-CZ2 4.28Å; E258-P601 HydrophobicContact CB-CB 4.27Å; E258-P601 HydrophobicContact CB-CG 3.94Å; E258-P601 HydrophobicContact CG-CB 3.68Å; E258-P601 HydrophobicContact CG-CG 3.81Å
259	A	98.4	Very high	96.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-47.8	178.5	0	0	0	0	0	111.1	A255 V256 T257 V261 R262 L263 F588 L592 W600 L637	A255-A259 WeakPolarHBondContact O-CB 3.34Å; A255-A259 PolarHBondContact O-N 3.27Å; V256-A259 PolarHBondContact O-N 2.82Å; T257-A259 PolarHBondContact O-N 3.37Å; A259-V261 PolarHBondContact O-N 3.18Å; A259-R262 PolarHBondContact O-N 2.77Å; A259-L263 WeakPolarHBondContact O-CB 3.43Å; A259-L263 WeakPolarHBondContact O-CG 3.49Å; A259-L263 PolarHBondContact O-N 3.11Å; A259-F588 HydrophobicContact CB-CE1 4.35Å; A259-F588 HydrophobicContact CB-CZ 4.3Å; A259-L592 HydrophobicContact CB-CD1 3.58Å; A259-L592 HydrophobicContact CB-CD2 4.02Å; A259-L592 HydrophobicContact CB-CG 4.48Å; A259-W600 HydrophobicContact CB-CH2 3.85Å; A259-W600 HydrophobicContact CB-CZ3 4.08Å; A259-L637 HydrophobicContact CB-CD1 3.64Å; A259-L637 HydrophobicContact CB-CD2 4.31Å
260	F	98.1	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-49.6	177.6	-174.4	-86.1	0	0	0	111.4	V256 T257 R262 L263 C264 I269 W478 I531 P532 A533 W551 L584 F588	V256-F260 PolarHBondContact O-N 3.25Å; T257-F260 PolarHBondContact O-N 2.92Å; F260-R262 PolarHBondContact O-N 3.5Å; F260-L263 PolarHBondContact O-N 3.46Å; F260-C264 WeakPolarHBondContact CE1-SG 3.35Å; F260-C264 PolarHBondContact O-N 3.03Å; F260-C264 PolarHBondContact O-SG 2.93Å; F260-I269 HydrophobicContact CD2-CD1 3.61Å; F260-I269 HydrophobicContact CE2-CD1 3.91Å; F260-I269 HydrophobicContact CE2-CG2 3.86Å; F260-I269 HydrophobicContact CG-CD1 4.2Å; F260-I269 HydrophobicContact CZ-CG2 3.95Å; F260-W478 HydrophobicContact CZ-CD2 4.01Å; F260-W478 AromaticContact CZ-CE3 3.93Å; F260-W478 HydrophobicContact CZ-CE3 3.93Å; F260-W478 HydrophobicContact CZ-CH2 4.47Å; F260-W478 HydrophobicContact CZ-CZ3 4.15Å; F260-I531 HydrophobicContact CD2-CG2 4.49Å; F260-I531 HydrophobicContact CE1-CG2 3.97Å; F260-I531 HydrophobicContact CE2-CG2 3.7Å; F260-I531 HydrophobicContact CZ-CG2 3.39Å; F260-P532 HydrophobicContact CB-CG 3.83Å; F260-P532 HydrophobicContact CD1-CG 3.44Å; F260-P532 VanDerWaalsContact CD1-CG 3.44Å; F260-P532 HydrophobicContact CE1-CG 4.15Å; F260-P532 HydrophobicContact CG-CG 3.75Å; F260-A533 HydrophobicContact CE1-CB 4.41Å; F260-W551 HydrophobicContact CE1-CB 4.06Å; F260-L584 HydrophobicContact CD2-CD1 4.4Å; F260-L584 HydrophobicContact CD2-CD2 3.81Å; F260-L584 HydrophobicContact CE2-CD2 4.03Å; F260-F588 HydrophobicContact CB-CE1 4.43Å; F260-F588 HydrophobicContact CB-CZ 4.38Å
261	V	97.7	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-45.5	-179.2	170.1	0	0	0	0	111.6	T257 E258 A259 L263 C264 D265 R553	T257-V261 WeakPolarHBondContact O-CG2 3.21Å; T257-V261 PolarHBondContact O-N 2.85Å; E258-V261 PolarHBondContact O-N 2.73Å; A259-V261 PolarHBondContact O-N 3.18Å; V261-L263 PolarHBondContact O-N 3Å; V261-C264 PolarHBondContact O-N 2.88Å; V261-D265 WeakPolarHBondContact O-CB 3.32Å; V261-D265 PolarHBondContact O-N 3.48Å; V261-R553 HydrophobicContact CG2-CG 4.27Å
262	R	98.1	Very high	96.6	Very high	94 Å²	94	35.4 Å²	35.4	36%	0.355	18%	0.184	S	C	.	.	H	α-helix	trans	-64.4	-38.6	177.9	-72.5	-173.8	-172.3	-170.6	6.8	113.2	E258 A259 F260 D265 S266 L637	E258-R262 HydrophobicContact CG-CG 4.45Å; E258-R262 WeakPolarHBondContact O-CG 3.18Å; E258-R262 PolarHBondContact O-N 2.82Å; E258-R262 IonicContact OE1-CZ 3.93Å; E258-R262 VanDerWaalsContact OE1-CZ 3.26Å; E258-R262 IonicContact OE1-NE 3.8Å; E258-R262 PolarHBondContact OE1-NE 2.87Å; E258-R262 IonicContact OE1-NH2 2.8Å; E258-R262 PolarHBondContact OE1-NH2 3.29Å; A259-R262 PolarHBondContact O-N 2.77Å; F260-R262 PolarHBondContact O-N 3.5Å; R262-D265 PolarHBondContact O-N 3.02Å; R262-S266 PolarHBondContact O-N 2.91Å; R262-S266 PolarHBondContact O-OG 3.06Å; R262-L637 HydrophobicContact CB-CD2 4.01Å
263	L	98.3	Very high	96.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-71.1	-33.2	178.1	-68.3	170.3	0	0	0	111.7	A259 F260 V261 S266 G267 L268 I269 F588 L633 E636 L637	A259-L263 WeakPolarHBondContact O-CB 3.43Å; A259-L263 WeakPolarHBondContact O-CG 3.49Å; A259-L263 PolarHBondContact O-N 3.11Å; F260-L263 PolarHBondContact O-N 3.46Å; V261-L263 PolarHBondContact O-N 3Å; L263-S266 WeakPolarHBondContact CA-OG 3.49Å; L263-S266 PolarHBondContact O-OG 3.34Å; L263-S266 VanDerWaalsContact O-OG 3.06Å; L263-G267 PolarHBondContact O-N 2.98Å; L263-L268 HydrophobicContact CB-CB 4.45Å; L263-L268 HydrophobicContact CD2-CB 4.21Å; L263-L268 HydrophobicContact CD2-CD1 3.79Å; L263-L268 PolarHBondContact O-N 3.22Å; L263-I269 HydrophobicContact CB-CB 4.32Å; L263-I269 HydrophobicContact CB-CD1 3.58Å; L263-I269 HydrophobicContact CB-CG1 3.71Å; L263-I269 HydrophobicContact CD1-CD1 3.94Å; L263-I269 HydrophobicContact CD1-CG1 4.46Å; L263-I269 HydrophobicContact CG-CD1 4.43Å; L263-I269 PolarHBondContact O-N 2.88Å; L263-F588 HydrophobicContact CD1-CE2 3.86Å; L263-F588 HydrophobicContact CD1-CZ 3.92Å; L263-L633 HydrophobicContact CD1-CD2 4.02Å; L263-E636 HydrophobicContact CD2-CG 4.04Å; L263-L637 HydrophobicContact CD2-CD2 4.27Å; L263-L637 HydrophobicContact CG-CD2 4.1Å
264	C	97.1	Very high	95.7	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.034	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-42.5	169.4	-66.7	0	0	0	0	111.7	F260 V261 S266 G267 I269 W551	F260-C264 WeakPolarHBondContact CE1-SG 3.35Å; F260-C264 PolarHBondContact O-N 3.03Å; F260-C264 PolarHBondContact O-SG 2.93Å; V261-C264 PolarHBondContact O-N 2.88Å; C264-S266 PolarHBondContact O-N 3.5Å; C264-G267 PolarHBondContact O-N 2.86Å; C264-I269 VanDerWaalsContact SG-CB 3.57Å; C264-I269 WeakPolarHBondContact SG-CG2 3.14Å; C264-W551 HydrophobicContact CB-CD2 3.47Å; C264-W551 VanDerWaalsContact CB-CD2 3.47Å; C264-W551 HydrophobicContact CB-CE3 4.15Å; C264-W551 HydrophobicContact CB-CG 3.68Å; C264-W551 HydrophobicContact CB-CH2 4.35Å; C264-W551 HydrophobicContact CB-CZ2 3.72Å
265	D	96.4	Very high	95.4	Very high	81 Å²	81	30.4 Å²	30.4	43%	0.433	17%	0.169	S	C	.	.	H	α-helix	trans	-62	-30.4	179.1	-71.2	-13.3	0	0	0	112.3	V261 R262 W551 R561	V261-D265 WeakPolarHBondContact O-CB 3.32Å; V261-D265 PolarHBondContact O-N 3.48Å; R262-D265 PolarHBondContact O-N 3.02Å; D265-W551 PolarHBondContact OD1-NE1 3.33Å; D265-R561 IonicContact OD1-CZ 2.67Å; D265-R561 IonicContact OD1-NH1 3.69Å; D265-R561 PolarHBondContact OD1-NH1 2.83Å; D265-R561 IonicContact OD1-NH2 2.73Å; D265-R561 PolarHBondContact OD1-NH2 2.75Å; D265-R561 IonicContact OD2-CZ 3.18Å; D265-R561 IonicContact OD2-NH1 3.1Å; D265-R561 IonicContact OD2-NH2 2.7Å; D265-R561 PolarHBondContact OD2-NH2 3.33Å
266	S	96.4	Very high	95	Very high	65 Å²	65	30.7 Å²	30.7	46%	0.455	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.2	174.3	52	0	0	0	0	114.3	R262 L263 C264 L268	R262-S266 PolarHBondContact O-N 2.91Å; R262-S266 PolarHBondContact O-OG 3.06Å; L263-S266 WeakPolarHBondContact CA-OG 3.49Å; L263-S266 PolarHBondContact O-OG 3.34Å; L263-S266 VanDerWaalsContact O-OG 3.06Å; C264-S266 PolarHBondContact O-N 3.5Å; S266-L268 PolarHBondContact O-N 3.28Å
267	G	96	Very high	94.7	Very high	41 Å²	41	31.6 Å²	31.6	42%	0.423	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	11	-178.1	0	0	0	0	0	114.9	L263 C264 R481	L263-G267 PolarHBondContact O-N 2.98Å; C264-G267 PolarHBondContact O-N 2.86Å; G267-R481 PolarHBondContact O-NE 3.41Å
268	L	97.5	Very high	94.6	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.11	17%	0.167	C	C	.	.			trans	-80.7	-30.7	177.3	-70.3	174.6	0	0	0	112.5	L263 S266 V480 R481 M485 E636	L263-L268 HydrophobicContact CB-CB 4.45Å; L263-L268 HydrophobicContact CD2-CB 4.21Å; L263-L268 HydrophobicContact CD2-CD1 3.79Å; L263-L268 PolarHBondContact O-N 3.22Å; S266-L268 PolarHBondContact O-N 3.28Å; L268-V480 CarbonylContact O-C 3.51Å; L268-V480 WeakPolarHBondContact O-CA 3.4Å; L268-R481 HydrophobicContact CD2-CB 4.1Å; L268-R481 PolarHBondContact O-N 3.29Å; L268-M485 HydrophobicContact CD1-SD 4.46Å; L268-E636 HydrophobicContact CD1-CG 3.45Å; L268-E636 VanDerWaalsContact CD1-CG 3.45Å
269	I	97.7	Very high	94.3	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.036	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.5	167.4	-73	175.2	0	0	0	109.8	F260 L263 C264 W478 F479 V480 F588	F260-I269 HydrophobicContact CD2-CD1 3.61Å; F260-I269 HydrophobicContact CE2-CD1 3.91Å; F260-I269 HydrophobicContact CE2-CG2 3.86Å; F260-I269 HydrophobicContact CG-CD1 4.2Å; F260-I269 HydrophobicContact CZ-CG2 3.95Å; L263-I269 HydrophobicContact CB-CB 4.32Å; L263-I269 HydrophobicContact CB-CD1 3.58Å; L263-I269 HydrophobicContact CB-CG1 3.71Å; L263-I269 HydrophobicContact CD1-CD1 3.94Å; L263-I269 HydrophobicContact CD1-CG1 4.46Å; L263-I269 HydrophobicContact CG-CD1 4.43Å; L263-I269 PolarHBondContact O-N 2.88Å; C264-I269 VanDerWaalsContact SG-CB 3.57Å; C264-I269 WeakPolarHBondContact SG-CG2 3.14Å; I269-W478 HydrophobicContact CG2-CE3 3.51Å; I269-W478 HydrophobicContact CG2-CZ3 4Å; I269-F479 VanDerWaalsContact CA-O 3.31Å; I269-F479 WeakPolarHBondContact CA-O 3.47Å; I269-V480 HydrophobicContact CD1-CG2 4.13Å; I269-V480 HydrophobicContact CG1-CG2 3.69Å; I269-F588 HydrophobicContact CD1-CE2 4.11Å; I269-F588 HydrophobicContact CD1-CZ 4.19Å
270	Y	94.8	Very high	94.1	Very high	59 Å²	59	30 Å²	30	23%	0.231	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	159	177	70.9	-80.2	0	0	0	111.3	W478 F479 R481 D518	Y270-W478 WeakPolarHBondContact O-CA 3.48Å; Y270-F479 HydrophobicContact CD1-CB 4.18Å; Y270-F479 HydrophobicContact CE1-CB 3.57Å; Y270-F479 HydrophobicContact CE2-CB 4.18Å; Y270-F479 HydrophobicContact CE2-CD2 4.31Å; Y270-F479 PolarHBondContact N-O 3.38Å; Y270-F479 PolarHBondContact O-N 3.28Å; Y270-R481 HydrophobicContact CD1-CG 3.77Å; Y270-R481 HydrophobicContact CE1-CG 3.63Å; Y270-D518 WeakPolarHBondContact CE1-OD2 3.48Å; Y270-D518 PolarHBondContact OH-OD2 3.4Å
271	R	91.9	Very high	93.6	Very high	62 Å²	62	32.3 Å²	32.3	23%	0.234	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.4	174.3	-169.1	179.1	179.4	95.3	-10.8	109.3	Q477 W478 E547 D580	R271-Q477 WeakPolarHBondContact CA-O 3.38Å; R271-W478 HydrophobicContact CB-CD2 4.04Å; R271-W478 HydrophobicContact CB-CE3 3.9Å; R271-W478 HydrophobicContact CB-CH2 4.14Å; R271-W478 HydrophobicContact CB-CZ2 4.24Å; R271-W478 HydrophobicContact CB-CZ3 3.97Å; R271-W478 HydrophobicContact CG-CD2 4.38Å; R271-E547 IonicContact NE-OE2 2.93Å; R271-E547 IonicContact NH2-OE2 2.98Å; R271-D580 IonicContact CZ-OD2 3.91Å; R271-D580 IonicContact NH1-OD2 3.81Å; R271-D580 PolarHBondContact NH1-OD2 3.38Å
272	S	90.2	Very high	93.1	Very high	56 Å²	56	33.4 Å²	33.4	39%	0.392	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.8	178.7	-163.9	0	0	0	0	111.8	G274 K476 Q477	S272-G274 PolarHBondContact O-N 2.98Å; S272-K476 WeakPolarHBondContact O-CA 3.46Å; S272-Q477 PolarHBondContact N-O 3.15Å; S272-Q477 VanDerWaalsContact N-O 3.08Å; S272-Q477 PolarHBondContact O-N 3Å
273	D	87.5	Confident	92.7	Very high	65 Å²	65	33.2 Å²	33.2	35%	0.348	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	110.3	165.5	-73.7	-57.3	0	0	0	109.2	L474 K476	D273-L474 HydrophobicContact CB-CD1 4.1Å; D273-L474 HydrophobicContact CB-CG 4.4Å; D273-K476 WeakPolarHBondContact OD1-CG 3.37Å
274	G	86.3	Confident	92.3	Very high	9 Å²	9	33.1 Å²	33.1	9%	0.093	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.3	177.2	0	0	0	0	0	111.3	S272 V276 K475	S272-G274 PolarHBondContact O-N 2.98Å; G274-V276 PolarHBondContact O-N 3.34Å; G274-K475 PolarHBondContact N-O 2.86Å; G274-K475 PolarHBondContact O-N 3.22Å
275	L	89.1	Confident	91.9	Very high	16 Å²	16	33 Å²	33	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121.9	169	-156.7	75.2	0	0	0	108.2	A394 D396 F397 F400 P472 L474	L275-A394 VanDerWaalsContact CD1-C 3.48Å; L275-A394 VanDerWaalsContact CD1-O 3.23Å; L275-A394 WeakPolarHBondContact CD1-O 3.4Å; L275-D396 WeakPolarHBondContact CD2-O 3.46Å; L275-F397 HydrophobicContact CB-CD1 4.08Å; L275-F397 HydrophobicContact CB-CE1 3.91Å; L275-F397 HydrophobicContact CD2-CB 4.15Å; L275-F397 HydrophobicContact CD2-CD1 3.6Å; L275-F397 HydrophobicContact CD2-CD2 3.99Å; L275-F397 HydrophobicContact CD2-CE1 3.9Å; L275-F397 HydrophobicContact CD2-CE2 4.27Å; L275-F397 HydrophobicContact CD2-CG 3.64Å; L275-F397 HydrophobicContact CD2-CZ 4.22Å; L275-F397 HydrophobicContact CG-CD1 4.22Å; L275-F397 HydrophobicContact CG-CE1 4.07Å; L275-F397 HydrophobicContact CG-CZ 4.38Å; L275-F397 WeakPolarHBondContact O-CE1 3.42Å; L275-F400 HydrophobicContact CB-CD1 4.49Å; L275-F400 HydrophobicContact CB-CD2 4.46Å; L275-F400 HydrophobicContact CB-CG 4.28Å; L275-F400 HydrophobicContact CD2-CB 4.22Å; L275-P472 HydrophobicContact CD1-CB 4.14Å; L275-P472 HydrophobicContact CD2-CB 3.54Å; L275-P472 HydrophobicContact CG-CB 3.8Å; L275-L474 HydrophobicContact CD1-CB 4.42Å
276	V	90.6	Very high	91.4	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.036	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.6	179	-63.1	0	0	0	0	110.9	G274 W278 A285 P472 L473 K475 Q477 F479	G274-V276 PolarHBondContact O-N 3.34Å; V276-W278 HydrophobicContact CG2-CE3 4.23Å; V276-W278 PolarHBondContact O-N 3.3Å; V276-A285 HydrophobicContact CB-CB 4.28Å; V276-A285 HydrophobicContact CG2-CB 4.14Å; V276-P472 WeakPolarHBondContact O-CA 3.4Å; V276-L473 WeakPolarHBondContact CG2-O 3.47Å; V276-L473 PolarHBondContact N-O 2.79Å; V276-L473 PolarHBondContact O-N 3.13Å; V276-K475 HydrophobicContact CG2-CB 4.08Å; V276-K475 HydrophobicContact CG2-CG 3.98Å; V276-Q477 HydrophobicContact CG1-CG 3.95Å; V276-F479 HydrophobicContact CG1-CZ 4.31Å
277	N	91.9	Very high	90.5	Very high	19 Å²	19	27.3 Å²	27.3	10%	0.102	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	111.1	165.5	-76.7	-40.3	0	0	0	108.4	A285 I286 D288 V291 F397 I470	N277-A285 CarbonylContact O-C 3.52Å; N277-A285 WeakPolarHBondContact O-CA 3.4Å; N277-I286 WeakPolarHBondContact CB-O 3.42Å; N277-I286 PolarHBondContact O-N 2.73Å; N277-D288 PolarHBondContact ND2-OD1 2.98Å; N277-V291 HydrophobicContact CB-CG2 4.15Å; N277-F397 WeakPolarHBondContact OD1-CE2 3.48Å; N277-F397 WeakPolarHBondContact OD1-CZ 3.35Å; N277-I470 HydrophobicContact CB-CG2 3.68Å; N277-I470 WeakPolarHBondContact OD1-CG2 3.35Å
278	W	93.9	Very high	89.6	Confident	13 Å²	13	30.6 Å²	30.6	5%	0.049	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.8	-176.4	-173.7	-89.7	0	0	0	111.7	V276 Q283 S284 A285 G416 E471 L473 K475 Q524	V276-W278 HydrophobicContact CG2-CE3 4.23Å; V276-W278 PolarHBondContact O-N 3.3Å; W278-Q283 WeakPolarHBondContact CH2-O 3.5Å; W278-Q283 HydrophobicContact CZ2-CB 4.13Å; W278-Q283 WeakPolarHBondContact CZ2-O 3.5Å; W278-S284 VanDerWaalsContact CE3-C 3.4Å; W278-A285 HydrophobicContact CE3-CB 4.34Å; W278-G416 PolarHBondContact NE1-O 2.96Å; W278-E471 WeakPolarHBondContact CA-O 3.47Å; W278-E471 HydrophobicContact CB-CB 4.49Å; W278-E471 WeakPolarHBondContact CB-O 3.21Å; W278-E471 PolarHBondContact N-O 2.75Å; W278-E471 PolarHBondContact O-N 3.37Å; W278-L473 HydrophobicContact CB-CB 4.09Å; W278-L473 HydrophobicContact CB-CD1 3.96Å; W278-L473 HydrophobicContact CB-CG 4Å; W278-L473 VanDerWaalsContact CD1-CD1 3.5Å; W278-L473 HydrophobicContact CD2-CD1 3.99Å; W278-L473 HydrophobicContact CG-CB 4.46Å; W278-L473 HydrophobicContact CG-CD1 3.57Å; W278-L473 HydrophobicContact CG-CG 4.17Å; W278-K475 HydrophobicContact CE3-CG 4.24Å; W278-K475 HydrophobicContact CZ3-CD 4.47Å; W278-K475 HydrophobicContact CZ3-CG 4.23Å; W278-Q524 HydrophobicContact CH2-CB 4.46Å; W278-Q524 HydrophobicContact CH2-CG 3.99Å; W278-Q524 HydrophobicContact CZ3-CG 4.18Å
279	S	93.2	Very high	88.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	108.5	168.1	175.3	0	0	0	0	108.9	A281 L282 Q283 S284 S466	S279-A281 PolarHBondContact O-N 3.16Å; S279-L282 PolarHBondContact O-N 3.18Å; S279-L282 VanDerWaalsContact O-N 3.09Å; S279-L282 PolarHBondContact OG-N 3.5Å; S279-Q283 WeakPolarHBondContact O-CA 3.45Å; S279-Q283 PolarHBondContact O-N 3.01Å; S279-S284 PolarHBondContact N-O 3.17Å; S279-S466 PolarHBondContact OG-OG 3.03Å
280	C	93.2	Very high	86.9	Confident	10 Å²	10	32.5 Å²	32.5	7%	0.068	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.9	176.3	-63.8	0	0	0	0	112	L282 Q283 G416 G418 D468	C280-L282 VanDerWaalsContact C-N 3.35Å; C280-L282 PolarHBondContact O-N 3.2Å; C280-Q283 WeakPolarHBondContact O-CG 3.26Å; C280-Q283 PolarHBondContact O-N 2.7Å; C280-G416 WeakPolarHBondContact CA-O 3.45Å; C280-G418 VanDerWaalsContact SG-CA 3.57Å; C280-D468 WeakPolarHBondContact CB-OD2 3.47Å; C280-D468 PolarHBondContact N-OD2 3.06Å
281	A	88.8	Confident	86.3	Confident	49 Å²	49	31 Å²	31	41%	0.405	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33	176.1	0	0	0	0	0	114.4	S279 P305 D468	S279-A281 PolarHBondContact O-N 3.16Å; A281-P305 HydrophobicContact CB-CB 3.91Å; A281-P305 HydrophobicContact CB-CG 4.5Å; A281-D468 HydrophobicContact CB-CB 3.85Å; A281-D468 PolarHBondContact N-OD2 3.03Å
282	L	85.8	Confident	85.9	Confident	22 Å²	22	32.8 Å²	32.8	12%	0.115	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-17.7	179.2	-61.5	178	0	0	0	112.2	I187 S279 C280 S284 I286 R465	I187-L282 HydrophobicContact CD1-CD1 3.88Å; I187-L282 HydrophobicContact CG1-CD1 4.39Å; S279-L282 PolarHBondContact O-N 3.18Å; S279-L282 VanDerWaalsContact O-N 3.09Å; S279-L282 PolarHBondContact OG-N 3.5Å; C280-L282 VanDerWaalsContact C-N 3.35Å; C280-L282 PolarHBondContact O-N 3.2Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-I286 HydrophobicContact CD1-CD1 3.98Å; L282-R465 HydrophobicContact CD1-CB 4.06Å
283	Q	89.9	Confident	85.6	Confident	90 Å²	90	33.7 Å²	33.7	42%	0.421	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	46	-171.2	-57.2	-177.3	8.6	0	0	112.3	W278 S279 C280 Q524	W278-Q283 WeakPolarHBondContact CH2-O 3.5Å; W278-Q283 HydrophobicContact CZ2-CB 4.13Å; W278-Q283 WeakPolarHBondContact CZ2-O 3.5Å; S279-Q283 WeakPolarHBondContact O-CA 3.45Å; S279-Q283 PolarHBondContact O-N 3.01Å; C280-Q283 WeakPolarHBondContact O-CG 3.26Å; C280-Q283 PolarHBondContact O-N 2.7Å; Q283-Q524 WeakPolarHBondContact O-CB 3.46Å
284	S	89.6	Confident	85.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.4	177.7	-178.6	0	0	0	0	111.2	W278 S279 L282 Q524	W278-S284 VanDerWaalsContact CE3-C 3.4Å; S279-S284 PolarHBondContact N-O 3.17Å; L282-S284 VanDerWaalsContact C-N 3.3Å; S284-Q524 PolarHBondContact OG-N 2.67Å
285	A	89.4	Confident	85.5	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	142.3	157.4	0	0	0	0	0	109.7	V276 N277 W278 R523	V276-A285 HydrophobicContact CB-CB 4.28Å; V276-A285 HydrophobicContact CG2-CB 4.14Å; N277-A285 CarbonylContact O-C 3.52Å; N277-A285 WeakPolarHBondContact O-CA 3.4Å; W278-A285 HydrophobicContact CE3-CB 4.34Å; A285-R523 WeakPolarHBondContact O-CD 3.45Å
286	I	86.1	Confident	85.6	Confident	6 Å²	6	35.1 Å²	35.1	3%	0.031	19%	0.185	C	C	.	.			trans	-126.3	136.2	-175.2	-58.4	-60.9	0	0	0	106.4	I187 N277 L282 E290 V291 I470	I187-I286 HydrophobicContact CD1-CD1 3.42Å; I187-I286 VanDerWaalsContact CD1-CD1 3.42Å; N277-I286 WeakPolarHBondContact CB-O 3.42Å; N277-I286 PolarHBondContact O-N 2.73Å; L282-I286 HydrophobicContact CD1-CD1 3.98Å; I286-E290 HydrophobicContact CG2-CB 3.35Å; I286-E290 HydrophobicContact CG2-CG 4.36Å; I286-V291 HydrophobicContact CG2-CG2 4.31Å; I286-I470 HydrophobicContact CB-CD1 4.43Å; I286-I470 HydrophobicContact CG1-CD1 4.4Å; I286-I470 HydrophobicContact CG2-CD1 4.37Å
287	S	77.8	Confident	85.4	Confident	22 Å²	22	39.5 Å²	39.5	15%	0.154	22%	0.216	C	C	.	.			trans	-71.4	152	176.6	179.2	0	0	0	0	110.4	I289 E290	S287-I289 PolarHBondContact O-N 3.07Å; S287-I289 WeakPolarHBondContact OG-CG2 3.32Å; S287-E290 WeakPolarHBondContact O-CB 3.38Å; S287-E290 PolarHBondContact O-N 3.42Å
288	D	75.6	Confident	85.4	Confident	109 Å²	109	39 Å²	39	58%	0.583	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-52.1	-31.7	176.7	-59.1	-17.2	0	0	0	113	N277 E290 V291	N277-D288 PolarHBondContact ND2-OD1 2.98Å; D288-E290 VanDerWaalsContact C-N 3.29Å; D288-E290 PolarHBondContact O-N 3Å; D288-V291 WeakPolarHBondContact O-CB 3.43Å; D288-V291 PolarHBondContact O-N 2.78Å
289	I	67.1	Low	85.4	Confident	57 Å²	57	41.4 Å²	41.4	29%	0.292	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-65.2	-32.5	176.1	-171.7	-169.6	0	0	0	113.1	S287 V291 W587 F625	S287-I289 PolarHBondContact O-N 3.07Å; S287-I289 WeakPolarHBondContact OG-CG2 3.32Å; I289-V291 PolarHBondContact O-N 2.97Å; I289-W587 HydrophobicContact CD1-CZ2 3.97Å; I289-F625 HydrophobicContact CB-CD1 3.83Å; I289-F625 HydrophobicContact CB-CE1 3.61Å; I289-F625 HydrophobicContact CB-CZ 4.14Å; I289-F625 HydrophobicContact CD1-CB 3.95Å; I289-F625 HydrophobicContact CD1-CD1 3.44Å; I289-F625 VanDerWaalsContact CD1-CD1 3.44Å; I289-F625 HydrophobicContact CD1-CD2 3.25Å; I289-F625 HydrophobicContact CD1-CE1 3.65Å; I289-F625 HydrophobicContact CD1-CE2 3.46Å; I289-F625 VanDerWaalsContact CD1-CE2 3.46Å; I289-F625 HydrophobicContact CD1-CG 3.23Å; I289-F625 HydrophobicContact CD1-CZ 3.66Å; I289-F625 HydrophobicContact CG1-CD1 3.75Å; I289-F625 HydrophobicContact CG1-CD2 4.06Å; I289-F625 HydrophobicContact CG1-CE1 3.45Å; I289-F625 VanDerWaalsContact CG1-CE1 3.45Å; I289-F625 HydrophobicContact CG1-CE2 3.77Å; I289-F625 HydrophobicContact CG1-CG 4.04Å; I289-F625 HydrophobicContact CG1-CZ 3.47Å; I289-F625 VanDerWaalsContact CG1-CZ 3.47Å
290	E	73.3	Confident	85.4	Confident	12 Å²	12	43.3 Å²	43.3	6%	0.056	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-84.2	0.7	-176.8	-59.5	-168.6	114.3	0	0	111.7	I187 I286 S287 D288 S464 R465	I187-E290 WeakPolarHBondContact CG2-OE1 3.3Å; I286-E290 HydrophobicContact CG2-CB 3.35Å; I286-E290 HydrophobicContact CG2-CG 4.36Å; S287-E290 WeakPolarHBondContact O-CB 3.38Å; S287-E290 PolarHBondContact O-N 3.42Å; D288-E290 VanDerWaalsContact C-N 3.29Å; D288-E290 PolarHBondContact O-N 3Å; E290-S464 VanDerWaalsContact O-CB 3.26Å; E290-S464 WeakPolarHBondContact O-CB 3.27Å; E290-S464 PolarHBondContact O-N 3.48Å; E290-S464 PolarHBondContact O-OG 3.37Å; E290-R465 IonicContact OE1-NE 3.99Å
291	V	82.1	Confident	85.3	Confident	27 Å²	27	48.1 Å²	48.1	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.9	172.6	-174.6	0	0	0	0	109.5	N277 I286 D288 I289 P461 I462 I470	N277-V291 HydrophobicContact CB-CG2 4.15Å; I286-V291 HydrophobicContact CG2-CG2 4.31Å; D288-V291 WeakPolarHBondContact O-CB 3.43Å; D288-V291 PolarHBondContact O-N 2.78Å; I289-V291 PolarHBondContact O-N 2.97Å; V291-P461 HydrophobicContact CG1-CB 3.4Å; V291-P461 VanDerWaalsContact CG1-CB 3.4Å; V291-I462 CarbonylContact C-O 3.55Å; V291-I462 WeakPolarHBondContact CA-O 3.46Å; V291-I470 HydrophobicContact CB-CG1 4.45Å; V291-I470 HydrophobicContact CG1-CG1 3.91Å; V291-I470 HydrophobicContact CG2-CD1 4.11Å; V291-I470 HydrophobicContact CG2-CG1 3.88Å
292	E	81.7	Confident	85.3	Confident	100 Å²	100	46.3 Å²	46.3	47%	0.467	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.4	167.2	-76.1	178.6	-161.9	0	0	109.9	I462 S464	E292-I462 PolarHBondContact N-O 3Å; E292-I462 WeakPolarHBondContact O-CA 3.32Å; E292-I462 WeakPolarHBondContact O-CB 3.15Å; E292-I462 PolarHBondContact O-N 2.71Å; E292-S464 WeakPolarHBondContact OE1-CB 3.4Å
293	T	84.8	Confident	85.4	Confident	74 Å²	74	49.6 Å²	49.6	45%	0.454	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	140.2	174.6	53.6	0	0	0	0	111.4	Q46 T459 L460	Q46-T293 PolarHBondContact OE1-OG1 2.75Å; T293-T459 HydrophobicContact CG2-CG2 3.83Å; T293-L460 CarbonylContact C-O 3.41Å; T293-L460 WeakPolarHBondContact CA-O 3.26Å
294	R	84.7	Confident	85.4	Confident	101 Å²	101	45.6 Å²	45.6	38%	0.381	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	114.4	172.2	-179	176.7	173.3	170.4	-3.5	110.9	L460 I462	R294-L460 PolarHBondContact N-O 3.41Å; R294-L460 PolarHBondContact O-N 2.96Å; R294-I462 HydrophobicContact CB-CD1 3.55Å; R294-I462 HydrophobicContact CB-CG1 4.3Å; R294-I462 HydrophobicContact CG-CD1 4.31Å
295	D	87.9	Confident	85.3	Confident	19 Å²	19	48 Å²	48	10%	0.102	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	142.6	173	-56	-42.1	0	0	0	111.1	R50 M458 T459	R50-D295 PolarHBondContact NH1-O 3.45Å; D295-M458 CarbonylContact C-O 3.58Å; D295-M458 WeakPolarHBondContact CA-O 3.37Å; D295-T459 WeakPolarHBondContact OD1-CB 3.41Å; D295-T459 VanDerWaalsContact OD1-CG2 3.32Å; D295-T459 WeakPolarHBondContact OD1-CG2 3.43Å; D295-T459 PolarHBondContact OD1-OG1 2.89Å
296	V	89.6	Confident	85.1	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.9	168.9	-66	0	0	0	0	107.3	G298 T300 M302 F313 T457 M458 L460	V296-G298 VanDerWaalsContact C-N 3.31Å; V296-T300 HydrophobicContact CG1-CG2 4.39Å; V296-M302 HydrophobicContact CG1-SD 4.09Å; V296-F313 HydrophobicContact CG2-CB 4.47Å; V296-T457 CarbonylContact O-C 3.52Å; V296-T457 WeakPolarHBondContact O-CA 3.44Å; V296-M458 HydrophobicContact CG2-CB 4.47Å; V296-M458 HydrophobicContact CG2-CG 3.21Å; V296-M458 HydrophobicContact CG2-SD 4.04Å; V296-M458 PolarHBondContact N-O 2.96Å; V296-M458 PolarHBondContact O-N 3.33Å; V296-L460 HydrophobicContact CG1-CD1 4.04Å; V296-L460 HydrophobicContact CG2-CD1 4.27Å; V296-L460 HydrophobicContact CG2-CG 4.34Å
297	S	88.1	Confident	85.3	Confident	97 Å²	97	52 Å²	52	68%	0.678	31%	0.307	S	S	*	.	S	Bend	trans	-82.9	-9.7	-174.6	54.1	0	0	0	0	113.6	T457	S297-T457 WeakPolarHBondContact CA-OG1 3.17Å; S297-T457 PolarHBondContact O-OG1 2.88Å; S297-T457 VanDerWaalsContact O-OG1 3.1Å
298	G	91.8	Very high	85.7	Confident	9 Å²	9	58.7 Å²	58.7	9%	0.093	34%	0.341	C	S	.	.	S	Bend	trans	177.9	-168.8	-178.9	0	0	0	0	0	111.2	V296 T300 G314	V296-G298 VanDerWaalsContact C-N 3.31Å; G298-T300 PolarHBondContact O-N 3.09Å; G298-T300 PolarHBondContact O-OG1 3.26Å; G298-G314 CarbonylContact C-O 3.42Å; G298-G314 VanDerWaalsContact C-O 3.31Å; G298-G314 WeakPolarHBondContact CA-O 3.4Å
299	P	93.8	Very high	86.3	Confident	63 Å²	63	60 Å²	60	41%	0.409	35%	0.348	S	S	.	.			trans	-51.2	114	-175	-28.8	35.5	0	0	0	112.3	F313 G314 N455	P299-F313 CarbonylContact C-O 3.59Å; P299-F313 VanDerWaalsContact CA-O 3.25Å; P299-F313 WeakPolarHBondContact CA-O 3.43Å; P299-G314 WeakPolarHBondContact CD-O 3.15Å; P299-N455 VanDerWaalsContact CD-CG 3.45Å; P299-N455 VanDerWaalsContact CD-OD1 3.32Å; P299-N455 WeakPolarHBondContact CD-OD1 3.41Å; P299-N455 VanDerWaalsContact CG-OD1 3.23Å; P299-N455 WeakPolarHBondContact CG-OD1 3.48Å
300	T	92.6	Very high	87.4	Confident	41 Å²	41	63.5 Å²	63.5	25%	0.252	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124	-174.3	-57.3	0	0	0	0	109.3	V296 G298 M302 F313	V296-T300 HydrophobicContact CG1-CG2 4.39Å; G298-T300 PolarHBondContact O-N 3.09Å; G298-T300 PolarHBondContact O-OG1 3.26Å; T300-M302 HydrophobicContact CG2-CG 4Å; T300-M302 HydrophobicContact CG2-SD 4.44Å; T300-F313 PolarHBondContact N-O 2.79Å; T300-F313 PolarHBondContact O-N 3.47Å
301	L	92	Very high	88.4	Confident	110 Å²	110	63.5 Å²	63.5	58%	0.576	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.8	174.5	-70.4	174.7	0	0	0	110.7	K310 V311 E312	L301-K310 HydrophobicContact CB-CB 3.91Å; L301-K310 HydrophobicContact CB-CD 4.11Å; L301-K310 HydrophobicContact CD2-CB 4.4Å; L301-V311 WeakPolarHBondContact CA-O 3.41Å; L301-E312 HydrophobicContact CD2-CB 4.07Å
302	M	88.5	Confident	89	Confident	11 Å²	11	65.4 Å²	65.4	5%	0.054	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.1	-177.8	-66	-177	43.1	0	0	111.9	V296 T300 K310 V311 F313 L460 I462 I469	V296-M302 HydrophobicContact CG1-SD 4.09Å; T300-M302 HydrophobicContact CG2-CG 4Å; T300-M302 HydrophobicContact CG2-SD 4.44Å; M302-K310 CarbonylContact O-C 3.55Å; M302-K310 WeakPolarHBondContact O-CA 3.36Å; M302-V311 PolarHBondContact N-O 2.8Å; M302-V311 PolarHBondContact O-N 3.43Å; M302-F313 HydrophobicContact CB-CD2 4.01Å; M302-F313 HydrophobicContact CB-CE2 4.09Å; M302-F313 HydrophobicContact CG-CD2 4.27Å; M302-F313 HydrophobicContact SD-CD2 4.2Å; M302-L460 HydrophobicContact CE-CD1 4.15Å; M302-L460 HydrophobicContact SD-CD1 3.72Å; M302-I462 HydrophobicContact CE-CD1 4.04Å; M302-I469 HydrophobicContact CE-CD1 4.32Å
303	S	88.1	Confident	89.7	Confident	92 Å²	92	61 Å²	61	64%	0.643	35%	0.348	S	S	*	.			trans	-74.6	134.8	170	-63.8	0	0	0	0	109.5
304	V	89.5	Confident	90.1	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.036	33%	0.327	C	S	.	.			trans	-125.5	133.4	177.3	180	0	0	0	0	107.9	G306 Y307 V311 F313 F434 I469	V304-G306 PolarHBondContact O-N 3.43Å; V304-Y307 HydrophobicContact CB-CD2 3.82Å; V304-Y307 HydrophobicContact CB-CE2 4.43Å; V304-Y307 HydrophobicContact CB-CG 4.47Å; V304-Y307 HydrophobicContact CG1-CD2 3.71Å; V304-Y307 HydrophobicContact CG1-CE2 3.92Å; V304-Y307 PolarHBondContact O-N 2.89Å; V304-Y307 VanDerWaalsContact O-N 3.13Å; V304-V311 HydrophobicContact CB-CG2 4.41Å; V304-V311 HydrophobicContact CG2-CB 4.09Å; V304-V311 HydrophobicContact CG2-CG2 3.93Å; V304-F313 HydrophobicContact CG2-CE2 4.02Å; V304-F313 HydrophobicContact CG2-CZ 4.12Å; V304-F434 HydrophobicContact CG1-CD2 4.24Å; V304-F434 HydrophobicContact CG1-CE2 3.83Å; V304-F434 HydrophobicContact CG2-CD2 4.41Å; V304-F434 HydrophobicContact CG2-CE2 4.2Å; V304-I469 HydrophobicContact CG2-CG1 4.28Å
305	P	86.8	Confident	90.6	Very high	49 Å²	49	52.9 Å²	52.9	32%	0.318	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	132	173.8	-26.8	35.3	0	0	0	112.2	A281 S466 D468	A281-P305 HydrophobicContact CB-CB 3.91Å; A281-P305 HydrophobicContact CB-CG 4.5Å; P305-S466 WeakPolarHBondContact CG-O 3.36Å; P305-D468 HydrophobicContact CG-CB 4.13Å
306	G	85.6	Confident	91	Very high	57 Å²	57	52.4 Å²	52.4	59%	0.588	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	3.2	-179.1	0	0	0	0	0	115.3	V304 K432	V304-G306 PolarHBondContact O-N 3.43Å; G306-K432 PolarHBondContact O-NZ 3.08Å
307	Y	89.1	Confident	91.3	Very high	36 Å²	36	53 Å²	53	14%	0.141	31%	0.309	C	S	.	.			trans	-118.6	134.1	175.3	-67.1	-99.6	0	0	0	111.4	V304 V311 K432 R433 F434	V304-Y307 HydrophobicContact CB-CD2 3.82Å; V304-Y307 HydrophobicContact CB-CE2 4.43Å; V304-Y307 HydrophobicContact CB-CG 4.47Å; V304-Y307 HydrophobicContact CG1-CD2 3.71Å; V304-Y307 HydrophobicContact CG1-CE2 3.92Å; V304-Y307 PolarHBondContact O-N 2.89Å; V304-Y307 VanDerWaalsContact O-N 3.13Å; Y307-V311 HydrophobicContact CD1-CG2 4.26Å; Y307-V311 HydrophobicContact CG-CG2 4.3Å; Y307-K432 HydrophobicContact CD1-CD 4.36Å; Y307-K432 HydrophobicContact CE1-CB 3.74Å; Y307-K432 HydrophobicContact CE1-CD 3.98Å; Y307-K432 WeakPolarHBondContact OH-CB 3.27Å; Y307-R433 WeakPolarHBondContact OH-CG 3.32Å; Y307-R433 PolarHBondContact OH-N 3.23Å; Y307-F434 HydrophobicContact CD2-CD2 4.35Å; Y307-F434 HydrophobicContact CE1-CB 3.73Å; Y307-F434 HydrophobicContact CE1-CD2 4.12Å; Y307-F434 HydrophobicContact CE1-CG 4.41Å; Y307-F434 AromaticContact CE2-CD2 3.6Å; Y307-F434 HydrophobicContact CE2-CD2 3.6Å; Y307-F434 HydrophobicContact CE2-CE2 4.23Å; Y307-F434 AromaticContact CZ-CD2 3.43Å; Y307-F434 VanDerWaalsContact CZ-CD2 3.43Å; Y307-F434 VanDerWaalsContact OH-CD2 3.3Å; Y307-F434 WeakPolarHBondContact OH-CD2 3.37Å; Y307-F434 PolarHBondContact OH-N 3.12Å; Y307-F434 VanDerWaalsContact OH-N 3.1Å
308	D	86.3	Confident	91.8	Very high	162 Å²	162	49.3 Å²	49.3	87%	0.866	28%	0.283	S	S	*	.	S	Bend	trans	-76.3	-36.5	177	-59.1	-42.8	0	0	0	111.5
309	N	89.1	Confident	92.1	Very high	135 Å²	135	48.9 Å²	48.9	72%	0.722	28%	0.279	S	S	*	.	S	Bend	trans	-98.1	152.1	178.8	-64.5	-49.6	0	0	0	111.4
310	K	91.1	Very high	92.2	Very high	131 Å²	131	45.9 Å²	45.9	57%	0.57	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-70.8	141.2	173.8	-65.7	-177.5	179.6	177.3	0	110.8	L301 M302	L301-K310 HydrophobicContact CB-CB 3.91Å; L301-K310 HydrophobicContact CB-CD 4.11Å; L301-K310 HydrophobicContact CD2-CB 4.4Å; M302-K310 CarbonylContact O-C 3.55Å; M302-K310 WeakPolarHBondContact O-CA 3.36Å
311	V	93.6	Very high	92.4	Very high	13 Å²	13	44 Å²	44	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.8	-179.4	-180	0	0	0	0	110.3	L301 M302 V304 Y307 F313 F434	L301-V311 WeakPolarHBondContact CA-O 3.41Å; M302-V311 PolarHBondContact N-O 2.8Å; M302-V311 PolarHBondContact O-N 3.43Å; V304-V311 HydrophobicContact CB-CG2 4.41Å; V304-V311 HydrophobicContact CG2-CB 4.09Å; V304-V311 HydrophobicContact CG2-CG2 3.93Å; Y307-V311 HydrophobicContact CD1-CG2 4.26Å; Y307-V311 HydrophobicContact CG-CG2 4.3Å; V311-F313 HydrophobicContact CB-CE2 3.72Å; V311-F313 HydrophobicContact CB-CZ 4.08Å; V311-F313 HydrophobicContact CG1-CD2 4.33Å; V311-F313 HydrophobicContact CG1-CE1 4.3Å; V311-F313 HydrophobicContact CG1-CE2 3.63Å; V311-F313 HydrophobicContact CG1-CZ 3.6Å; V311-F313 WeakPolarHBondContact O-CD2 3.49Å; V311-F434 HydrophobicContact CG1-CB 3.72Å; V311-F434 HydrophobicContact CG1-CD1 4.05Å; V311-F434 HydrophobicContact CG1-CD2 4.13Å; V311-F434 HydrophobicContact CG1-CG 3.71Å; V311-F434 HydrophobicContact CG2-CB 3.91Å; V311-F434 HydrophobicContact CG2-CD2 4Å; V311-F434 HydrophobicContact CG2-CG 4.16Å
312	E	94.4	Very high	92.5	Very high	66 Å²	66	40.9 Å²	40.9	31%	0.308	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	127	175.7	-175.6	-179.9	117.2	0	0	111.1	L301 T315 R437 K453	L301-E312 HydrophobicContact CD2-CB 4.07Å; E312-T315 WeakPolarHBondContact OE1-CB 3.48Å; E312-T315 PolarHBondContact OE1-OG1 3.26Å; E312-R437 PolarHBondContact O-NH1 2.73Å; E312-K453 IonicContact OE1-NZ 3.97Å; E312-K453 PolarHBondContact OE1-NZ 2.87Å; E312-K453 IonicContact OE2-NZ 3.35Å
313	F	95.5	Very high	92.8	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	169.9	168.8	-60.3	-84.6	0	0	0	110.2	V296 P299 T300 M302 V304 V311 F434 M458 L460 I469	V296-F313 HydrophobicContact CG2-CB 4.47Å; P299-F313 CarbonylContact C-O 3.59Å; P299-F313 VanDerWaalsContact CA-O 3.25Å; P299-F313 WeakPolarHBondContact CA-O 3.43Å; T300-F313 PolarHBondContact N-O 2.79Å; T300-F313 PolarHBondContact O-N 3.47Å; M302-F313 HydrophobicContact CB-CD2 4.01Å; M302-F313 HydrophobicContact CB-CE2 4.09Å; M302-F313 HydrophobicContact CG-CD2 4.27Å; M302-F313 HydrophobicContact SD-CD2 4.2Å; V304-F313 HydrophobicContact CG2-CE2 4.02Å; V304-F313 HydrophobicContact CG2-CZ 4.12Å; V311-F313 HydrophobicContact CB-CE2 3.72Å; V311-F313 HydrophobicContact CB-CZ 4.08Å; V311-F313 HydrophobicContact CG1-CD2 4.33Å; V311-F313 HydrophobicContact CG1-CE1 4.3Å; V311-F313 HydrophobicContact CG1-CE2 3.63Å; V311-F313 HydrophobicContact CG1-CZ 3.6Å; V311-F313 WeakPolarHBondContact O-CD2 3.49Å; F313-F434 AromaticContact CE1-CE1 3.91Å; F313-F434 HydrophobicContact CE1-CE1 3.91Å; F313-F434 HydrophobicContact CE1-CZ 4.08Å; F313-F434 HydrophobicContact CZ-CE1 4.06Å; F313-F434 HydrophobicContact CZ-CE2 4.24Å; F313-F434 AromaticContact CZ-CZ 3.92Å; F313-F434 HydrophobicContact CZ-CZ 3.92Å; F313-M458 HydrophobicContact CB-SD 4.35Å; F313-L460 HydrophobicContact CB-CD1 3.71Å; F313-L460 HydrophobicContact CB-CD2 4.32Å; F313-L460 HydrophobicContact CD1-CD1 3.99Å; F313-L460 HydrophobicContact CD1-CD2 3.68Å; F313-L460 HydrophobicContact CD2-CD1 4.1Å; F313-L460 HydrophobicContact CE1-CD2 4.32Å; F313-L460 HydrophobicContact CG-CD1 3.66Å; F313-L460 HydrophobicContact CG-CD2 4.18Å; F313-I469 HydrophobicContact CE1-CG1 4.16Å; F313-I469 HydrophobicContact CE2-CG1 4.3Å; F313-I469 HydrophobicContact CZ-CD1 4.42Å; F313-I469 HydrophobicContact CZ-CG1 3.68Å
314	G	94.3	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	81.8	21.5	-178.1	0	0	0	0	0	114.1	G298 P299 H456 M458	G298-G314 CarbonylContact C-O 3.42Å; G298-G314 VanDerWaalsContact C-O 3.31Å; G298-G314 WeakPolarHBondContact CA-O 3.4Å; P299-G314 WeakPolarHBondContact CD-O 3.15Å; G314-H456 CarbonylContact C-O 3.44Å; G314-H456 VanDerWaalsContact C-O 3.27Å; G314-H456 VanDerWaalsContact CA-O 3.23Å; G314-H456 WeakPolarHBondContact CA-O 3.3Å; G314-H456 PolarHBondContact O-N 3.43Å; G314-M458 VanDerWaalsContact N-CE 3.35Å; G314-M458 PolarHBondContact N-SD 3.42Å; G314-M458 VanDerWaalsContact N-SD 3.35Å
315	T	95.2	Very high	92.8	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.6	-179.6	-57.1	0	0	0	0	109.3	E312 F317 K453	E312-T315 WeakPolarHBondContact OE1-CB 3.48Å; E312-T315 PolarHBondContact OE1-OG1 3.26Å; T315-F317 HydrophobicContact CG2-CD2 4.34Å; T315-F317 HydrophobicContact CG2-CE1 4.01Å; T315-F317 HydrophobicContact CG2-CE2 3.82Å; T315-F317 HydrophobicContact CG2-CZ 3.63Å; T315-K453 HydrophobicContact CG2-CB 3.77Å; T315-K453 HydrophobicContact CG2-CD 3.84Å; T315-K453 HydrophobicContact CG2-CG 4.07Å
316	M	95.6	Very high	92.5	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.039	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.2	172.9	-179.5	178.5	-76.1	0	0	109.2	M384 K453 K454 H456	M316-M384 HydrophobicContact CE-CE 3.89Å; M316-M384 HydrophobicContact CE-SD 4.37Å; M316-K453 CarbonylContact O-C 3.59Å; M316-K453 VanDerWaalsContact O-CA 3.26Å; M316-K453 WeakPolarHBondContact O-CA 3.31Å; M316-K454 HydrophobicContact CB-CG 4.09Å; M316-K454 PolarHBondContact N-O 2.91Å; M316-K454 PolarHBondContact O-N 3.3Å; M316-K454 WeakPolarHBondContact SD-CE 3.33Å; M316-H456 HydrophobicContact CB-CB 3.62Å; M316-H456 HydrophobicContact CE-CB 4.42Å; M316-H456 WeakPolarHBondContact CE-CE1 3.27Å; M316-H456 WeakPolarHBondContact CE-ND1 3.14Å; M316-H456 WeakPolarHBondContact CE-NE2 3.48Å
317	F	97	Very high	92.2	Very high	13 Å²	13	53 Å²	53	6%	0.057	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.4	-179.9	-59	-91.1	0	0	0	109.2	T315 S333 T334 P337 V441 F450 K453	T315-F317 HydrophobicContact CG2-CD2 4.34Å; T315-F317 HydrophobicContact CG2-CE1 4.01Å; T315-F317 HydrophobicContact CG2-CE2 3.82Å; T315-F317 HydrophobicContact CG2-CZ 3.63Å; F317-S333 CarbonylContact O-C 3.22Å; F317-S333 WeakPolarHBondContact O-CA 3.41Å; F317-T334 PolarHBondContact N-O 3.26Å; F317-T334 PolarHBondContact O-N 3.35Å; F317-P337 HydrophobicContact CB-CG 4.4Å; F317-P337 HydrophobicContact CD2-CG 3.95Å; F317-P337 HydrophobicContact CE2-CG 4.41Å; F317-P337 HydrophobicContact CG-CG 4.08Å; F317-V441 HydrophobicContact CD1-CG2 3.94Å; F317-V441 HydrophobicContact CE1-CG2 4.09Å; F317-F450 HydrophobicContact CB-CE2 4.27Å; F317-F450 AromaticContact CD1-CE2 3.99Å; F317-F450 HydrophobicContact CD1-CE2 3.99Å; F317-F450 HydrophobicContact CD1-CZ 4.12Å; F317-K453 HydrophobicContact CD1-CB 3.92Å; F317-K453 HydrophobicContact CD1-CD 4.46Å; F317-K453 HydrophobicContact CE1-CB 4.2Å; F317-K453 HydrophobicContact CE1-CD 3.94Å
318	T	98	Very high	92	Very high	20 Å²	20	52.5 Å²	52.5	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.8	174.2	-49.4	0	0	0	0	109.1	A331 V332 S333 T386 F450 R451 G452	T318-A331 HydrophobicContact CG2-CB 4.27Å; T318-V332 WeakPolarHBondContact CA-O 3.35Å; T318-S333 PolarHBondContact OG1-OG 3.35Å; T318-T386 HydrophobicContact CG2-CG2 3.85Å; T318-F450 WeakPolarHBondContact O-CD2 3.4Å; T318-R451 HydrophobicContact CG2-CB 3.79Å; T318-R451 HydrophobicContact CG2-CG 4.48Å; T318-R451 WeakPolarHBondContact O-CA 3.38Å; T318-R451 PolarHBondContact O-N 3.26Å; T318-G452 PolarHBondContact N-O 3.34Å
319	F	97.3	Very high	92.4	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.1	174.3	69	-92	0	0	0	110.4	Y321 A331 V332 T334 M340 K390 L444 L449	F319-Y321 HydrophobicContact CD2-CE2 4.41Å; F319-Y321 HydrophobicContact CE2-CD2 4.06Å; F319-Y321 HydrophobicContact CE2-CE1 4.26Å; F319-Y321 AromaticContact CE2-CE2 3.41Å; F319-Y321 HydrophobicContact CE2-CE2 3.41Å; F319-Y321 VanDerWaalsContact CE2-CE2 3.41Å; F319-Y321 AromaticContact CE2-CZ 3.51Å; F319-Y321 AromaticContact CZ-CE2 3.92Å; F319-Y321 HydrophobicContact CZ-CE2 3.92Å; F319-A331 CarbonylContact O-C 3.43Å; F319-A331 WeakPolarHBondContact O-CA 3.26Å; F319-V332 HydrophobicContact CD1-CG2 4.19Å; F319-V332 HydrophobicContact CD2-CG2 4.1Å; F319-V332 HydrophobicContact CE1-CG2 3.79Å; F319-V332 HydrophobicContact CE2-CG2 3.69Å; F319-V332 HydrophobicContact CG-CG2 4.34Å; F319-V332 HydrophobicContact CZ-CG2 3.52Å; F319-V332 PolarHBondContact N-O 3.19Å; F319-V332 VanDerWaalsContact N-O 3.1Å; F319-V332 PolarHBondContact O-N 2.93Å; F319-T334 HydrophobicContact CD1-CG2 4.33Å; F319-T334 HydrophobicContact CE1-CG2 3.67Å; F319-M340 HydrophobicContact CD2-CE 4.08Å; F319-M340 HydrophobicContact CD2-SD 4.47Å; F319-M340 HydrophobicContact CE1-SD 4.34Å; F319-M340 HydrophobicContact CE2-CE 3.45Å; F319-M340 VanDerWaalsContact CE2-CE 3.45Å; F319-M340 HydrophobicContact CE2-SD 3.95Å; F319-M340 HydrophobicContact CZ-CB 3.85Å; F319-M340 HydrophobicContact CZ-CE 3.9Å; F319-M340 HydrophobicContact CZ-SD 3.88Å; F319-K390 HydrophobicContact CZ-CD 4.35Å; F319-L444 HydrophobicContact CB-CD1 3.78Å; F319-L444 HydrophobicContact CB-CD2 4.36Å; F319-L444 HydrophobicContact CD1-CD1 4.1Å; F319-L444 HydrophobicContact CD2-CD1 4.3Å; F319-L444 HydrophobicContact CD2-CD2 4.25Å; F319-L444 HydrophobicContact CG-CD1 3.81Å; F319-L444 HydrophobicContact CG-CD2 4.46Å; F319-L449 CarbonylContact C-O 3.53Å; F319-L449 VanDerWaalsContact CA-O 3.25Å; F319-L449 WeakPolarHBondContact CA-O 3.32Å
320	A	96.4	Very high	92.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.2	-173.1	0	0	0	0	0	113	E329 L449 R451	A320-E329 HydrophobicContact CB-CB 4.08Å; A320-E329 HydrophobicContact CB-CG 3.98Å; A320-E329 WeakPolarHBondContact CB-OE1 3.22Å; A320-E329 WeakPolarHBondContact CB-OE2 3.5Å; A320-L449 HydrophobicContact CB-CD2 4.5Å; A320-L449 PolarHBondContact N-O 3.5Å; A320-R451 HydrophobicContact CB-CG 4.33Å
321	Y	96.8	Very high	92.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.3	167.4	-79.7	-70.4	0	0	0	109.9	F319 E329 V330 V332 M340 D343 V346 C363 H365 P366 I372	F319-Y321 HydrophobicContact CD2-CE2 4.41Å; F319-Y321 HydrophobicContact CE2-CD2 4.06Å; F319-Y321 HydrophobicContact CE2-CE1 4.26Å; F319-Y321 AromaticContact CE2-CE2 3.41Å; F319-Y321 HydrophobicContact CE2-CE2 3.41Å; F319-Y321 VanDerWaalsContact CE2-CE2 3.41Å; F319-Y321 AromaticContact CE2-CZ 3.51Å; F319-Y321 AromaticContact CZ-CE2 3.92Å; F319-Y321 HydrophobicContact CZ-CE2 3.92Å; Y321-E329 CarbonylContact O-C 3.55Å; Y321-E329 VanDerWaalsContact O-CA 3.22Å; Y321-E329 WeakPolarHBondContact O-CA 3.37Å; Y321-E329 WeakPolarHBondContact O-CB 3.46Å; Y321-V330 PolarHBondContact N-O 3.4Å; Y321-V330 PolarHBondContact O-N 2.94Å; Y321-V332 HydrophobicContact CD2-CG1 4.09Å; Y321-V332 HydrophobicContact CD2-CG2 4.02Å; Y321-V332 HydrophobicContact CE2-CG1 4.36Å; Y321-V332 HydrophobicContact CE2-CG2 3.81Å; Y321-M340 HydrophobicContact CE1-CE 4.28Å; Y321-D343 PolarHBondContact OH-OD2 3.48Å; Y321-V346 HydrophobicContact CD2-CG2 3.71Å; Y321-V346 HydrophobicContact CE2-CG2 4.05Å; Y321-V346 HydrophobicContact CG-CG2 4.32Å; Y321-C363 HydrophobicContact CG-CB 4.33Å; Y321-H365 HydrophobicContact CE1-CB 4.49Å; Y321-H365 AromaticContact CE1-CD2 3.65Å; Y321-P366 HydrophobicContact CD1-CG 4.27Å; Y321-P366 HydrophobicContact CE1-CG 4.21Å; Y321-I372 HydrophobicContact CD1-CD1 4.16Å; Y321-I372 HydrophobicContact CE1-CD1 3.89Å; Y321-I372 HydrophobicContact CE2-CD1 4.48Å
322	P	95.3	Very high	93.1	Very high	46 Å²	46	36.2 Å²	36.2	30%	0.299	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138.3	170.5	-21.6	33.2	0	0	0	111.2	C363 K364 L449	P322-C363 CarbonylContact O-C 3.46Å; P322-C363 WeakPolarHBondContact O-CA 3.49Å; P322-K364 PolarHBondContact O-N 3.12Å; P322-L449 HydrophobicContact CG-CD1 4.36Å; P322-L449 HydrophobicContact CG-CD2 3.96Å
323	V	94.5	Very high	93.2	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.048	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-88.1	130.4	176.6	-178.9	0	0	0	0	109.5	G325 H326 G328 V330 F358 L361	V323-G325 PolarHBondContact O-N 3.21Å; V323-H326 HydrophobicContact CB-CB 4.06Å; V323-H326 HydrophobicContact CG1-CB 3.77Å; V323-H326 PolarHBondContact O-N 3.14Å; V323-H326 VanDerWaalsContact O-O 3.08Å; V323-G328 PolarHBondContact N-O 2.98Å; V323-V330 HydrophobicContact CG2-CG2 3.88Å; V323-F358 HydrophobicContact CG1-CD1 4.45Å; V323-F358 HydrophobicContact CG2-CD1 3.98Å; V323-F358 HydrophobicContact CG2-CE1 4.1Å; V323-L361 HydrophobicContact CG1-CB 4.13Å; V323-L361 HydrophobicContact CG1-CD1 3.94Å
324	E	92.1	Very high	93.2	Very high	97 Å²	97	34 Å²	34	45%	0.453	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	130	-178.9	-172.9	63.1	-153.5	0	0	110.6	H326 L362 L371	E324-H326 PolarHBondContact O-N 3.03Å; E324-L362 HydrophobicContact CB-CB 4.31Å; E324-L362 PolarHBondContact N-O 3.17Å; E324-L371 HydrophobicContact CB-CD2 3.9Å; E324-L371 HydrophobicContact CG-CD1 4.28Å; E324-L371 HydrophobicContact CG-CD2 3.83Å
325	G	84.3	Confident	93.2	Very high	85 Å²	85	36.1 Å²	36.1	88%	0.876	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	9.9	179.6	0	0	0	0	0	115.3	V323	V323-G325 PolarHBondContact O-N 3.21Å
326	H	80.9	Confident	93.2	Very high	104 Å²	104	38.1 Å²	38.1	48%	0.481	23%	0.227	S	C	.	.	S	Bend	trans	-132.9	141.6	179.9	-159.8	-75.6	0	0	0	110.7	V323 E324 G328	V323-H326 HydrophobicContact CB-CB 4.06Å; V323-H326 HydrophobicContact CG1-CB 3.77Å; V323-H326 PolarHBondContact O-N 3.14Å; V323-H326 VanDerWaalsContact O-O 3.08Å; E324-H326 PolarHBondContact O-N 3.03Å; H326-G328 PolarHBondContact O-N 3.01Å
327	D	78.7	Confident	93.3	Very high	175 Å²	175	37.8 Å²	37.8	94%	0.936	23%	0.225	S	C	*	.	S	Bend	trans	-81	55.5	175	-161.5	20.5	0	0	0	110.4
328	G	86.3	Confident	93.2	Very high	25 Å²	25	37.1 Å²	37.1	26%	0.258	22%	0.222	S	C	.	.			trans	-149	167.3	-174.4	0	0	0	0	0	112.6	V323 H326	V323-G328 PolarHBondContact N-O 2.98Å; H326-G328 PolarHBondContact O-N 3.01Å
329	E	93.5	Very high	93.2	Very high	75 Å²	75	36.3 Å²	36.3	35%	0.35	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.4	-179.4	67.4	179.4	-152.5	0	0	111.5	A320 Y321 R451	A320-E329 HydrophobicContact CB-CB 4.08Å; A320-E329 HydrophobicContact CB-CG 3.98Å; A320-E329 WeakPolarHBondContact CB-OE1 3.22Å; A320-E329 WeakPolarHBondContact CB-OE2 3.5Å; Y321-E329 CarbonylContact O-C 3.55Å; Y321-E329 VanDerWaalsContact O-CA 3.22Å; Y321-E329 WeakPolarHBondContact O-CA 3.37Å; Y321-E329 WeakPolarHBondContact O-CB 3.46Å; E329-R451 IonicContact OE1-CZ 3.68Å; E329-R451 VanDerWaalsContact OE1-CZ 3.23Å; E329-R451 IonicContact OE1-NE 3.71Å; E329-R451 PolarHBondContact OE1-NE 3.24Å; E329-R451 IonicContact OE1-NH2 3.31Å; E329-R451 PolarHBondContact OE1-NH2 3.14Å; E329-R451 IonicContact OE2-CZ 2.68Å; E329-R451 IonicContact OE2-NE 3.07Å; E329-R451 IonicContact OE2-NH2 3.53Å; E329-R451 PolarHBondContact OE2-NH2 2.99Å
330	V	95.9	Very high	93.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.6	172.3	-179.2	0	0	0	0	108.9	Y321 V323 V346 Y355 F358 I374 A388	Y321-V330 PolarHBondContact N-O 3.4Å; Y321-V330 PolarHBondContact O-N 2.94Å; V323-V330 HydrophobicContact CG2-CG2 3.88Å; V330-V346 HydrophobicContact CG1-CG1 3.87Å; V330-Y355 HydrophobicContact CG1-CD1 4.28Å; V330-Y355 HydrophobicContact CG1-CE1 3.89Å; V330-F358 HydrophobicContact CG2-CB 4.45Å; V330-F358 HydrophobicContact CG2-CD2 4.35Å; V330-F358 HydrophobicContact CG2-CG 4.21Å; V330-I374 HydrophobicContact CG2-CD1 3.74Å; V330-A388 HydrophobicContact CG1-CB 3.9Å
331	A	96.2	Very high	93.1	Very high	24 Å²	24	36.7 Å²	36.7	20%	0.198	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.2	174.5	0	0	0	0	0	110.9	T318 F319 Y355 T386	T318-A331 HydrophobicContact CG2-CB 4.27Å; F319-A331 CarbonylContact O-C 3.43Å; F319-A331 WeakPolarHBondContact O-CA 3.26Å; A331-Y355 PolarHBondContact O-OH 2.95Å; A331-T386 HydrophobicContact CB-CG2 4.09Å; A331-T386 VanDerWaalsContact O-CB 3.27Å; A331-T386 WeakPolarHBondContact O-CB 3.47Å; A331-T386 PolarHBondContact O-OG1 3.21Å
332	V	96.9	Very high	93	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.1	176.1	-61	0	0	0	0	110.8	T318 F319 Y321 V346 A388 K390	T318-V332 WeakPolarHBondContact CA-O 3.35Å; F319-V332 HydrophobicContact CD1-CG2 4.19Å; F319-V332 HydrophobicContact CD2-CG2 4.1Å; F319-V332 HydrophobicContact CE1-CG2 3.79Å; F319-V332 HydrophobicContact CE2-CG2 3.69Å; F319-V332 HydrophobicContact CG-CG2 4.34Å; F319-V332 HydrophobicContact CZ-CG2 3.52Å; F319-V332 PolarHBondContact N-O 3.19Å; F319-V332 VanDerWaalsContact N-O 3.1Å; F319-V332 PolarHBondContact O-N 2.93Å; Y321-V332 HydrophobicContact CD2-CG1 4.09Å; Y321-V332 HydrophobicContact CD2-CG2 4.02Å; Y321-V332 HydrophobicContact CE2-CG1 4.36Å; Y321-V332 HydrophobicContact CE2-CG2 3.81Å; V332-V346 HydrophobicContact CG1-CG1 3.73Å; V332-V346 HydrophobicContact CG1-CG2 4.33Å; V332-A388 HydrophobicContact CG1-CB 4.13Å; V332-K390 HydrophobicContact CG2-CB 4.43Å
333	S	95.9	Very high	93.1	Very high	14 Å²	14	35 Å²	35	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.7	173.3	-70.8	0	0	0	0	111.3	F317 T318 G385 T386	F317-S333 CarbonylContact O-C 3.22Å; F317-S333 WeakPolarHBondContact O-CA 3.41Å; T318-S333 PolarHBondContact OG1-OG 3.35Å; S333-G385 WeakPolarHBondContact OG-CA 3.09Å; S333-T386 PolarHBondContact OG-N 2.94Å
334	T	95.9	Very high	93.2	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155	176.7	-178.7	0	0	0	0	112.1	F317 F319 R336 P337 K390	F317-T334 PolarHBondContact N-O 3.26Å; F317-T334 PolarHBondContact O-N 3.35Å; F319-T334 HydrophobicContact CD1-CG2 4.33Å; F319-T334 HydrophobicContact CE1-CG2 3.67Å; T334-R336 PolarHBondContact OG1-N 3.47Å; T334-P337 HydrophobicContact CG2-CB 4.25Å; T334-K390 HydrophobicContact CG2-CD 4.22Å; T334-K390 WeakPolarHBondContact OG1-CE 3.22Å
335	T	94.9	Very high	93.4	Very high	43 Å²	43	30.8 Å²	30.8	26%	0.264	19%	0.189	S	C	.	.	S	Bend	trans	-91.8	-10.6	170.7	58.6	0	0	0	0	112.3	M458	T335-M458 HydrophobicContact CG2-CE 3.32Å
336	R	95.9	Very high	94.1	Very high	46 Å²	46	26.8 Å²	26.8	17%	0.174	15%	0.147	C	C	.	.			trans	-130.9	67.8	-172.9	-57.7	-176.7	66.3	-163.1	-3.6	111.7	T334 E338 T339 H395 E471	T334-R336 PolarHBondContact OG1-N 3.47Å; R336-E338 VanDerWaalsContact C-OE2 3.25Å; R336-E338 WeakPolarHBondContact CA-OE2 3.37Å; R336-E338 IonicContact NE-OE1 2.72Å; R336-E338 PolarHBondContact O-N 3Å; R336-T339 HydrophobicContact CB-CG2 4.01Å; R336-T339 PolarHBondContact O-N 2.81Å; R336-T339 VanDerWaalsContact O-N 3.13Å; R336-T339 PolarHBondContact O-OG1 3.31Å; R336-H395 PolarHBondContact NH1-O 3.41Å; R336-E471 IonicContact CZ-OE1 3.74Å; R336-E471 IonicContact CZ-OE2 3.89Å; R336-E471 IonicContact NH1-OE1 3.77Å; R336-E471 PolarHBondContact NH1-OE1 3.08Å; R336-E471 IonicContact NH2-OE1 3.52Å; R336-E471 PolarHBondContact NH2-OE1 3.12Å; R336-E471 IonicContact NH2-OE2 3.21Å; R336-E471 PolarHBondContact NH2-OE2 2.97Å
337	P	96.6	Very high	94.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-62.9	-25.5	-178.9	27.4	-34.2	0	0	0	112.5	F317 T334 T339 M340 R437 V440 V441	F317-P337 HydrophobicContact CB-CG 4.4Å; F317-P337 HydrophobicContact CD2-CG 3.95Å; F317-P337 HydrophobicContact CE2-CG 4.41Å; F317-P337 HydrophobicContact CG-CG 4.08Å; T334-P337 HydrophobicContact CG2-CB 4.25Å; P337-T339 PolarHBondContact O-N 2.86Å; P337-T339 VanDerWaalsContact O-N 3.13Å; P337-M340 WeakPolarHBondContact O-CB 3.32Å; P337-M340 WeakPolarHBondContact O-CG 3.42Å; P337-M340 PolarHBondContact O-N 3.25Å; P337-R437 HydrophobicContact CG-CG 3.73Å; P337-V440 HydrophobicContact CB-CG1 4.39Å; P337-V441 HydrophobicContact CB-CG2 4.24Å; P337-V441 HydrophobicContact CG-CG2 3.73Å
338	E	96.1	Very high	95.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-56.2	-28.1	173.7	65.2	-83.2	-164.2	0	0	113.8	R336 M340 M420 R433 A436 R437	R336-E338 VanDerWaalsContact C-OE2 3.25Å; R336-E338 WeakPolarHBondContact CA-OE2 3.37Å; R336-E338 IonicContact NE-OE1 2.72Å; R336-E338 PolarHBondContact O-N 3Å; E338-M340 VanDerWaalsContact C-N 3.29Å; E338-M340 PolarHBondContact O-N 3.31Å; E338-M420 WeakPolarHBondContact O-CE 3.4Å; E338-R433 WeakPolarHBondContact CG-O 3.47Å; E338-A436 HydrophobicContact CB-CB 4.38Å; E338-R437 HydrophobicContact CB-CB 4.19Å; E338-R437 IonicContact OE1-CZ 3.41Å; E338-R437 IonicContact OE1-NE 2.76Å; E338-R437 PolarHBondContact OE1-NE 3.12Å; E338-R437 IonicContact OE1-NH2 3.94Å; E338-R437 PolarHBondContact OE1-NH2 3.04Å; E338-R437 WeakPolarHBondContact OE2-CB 3.48Å; E338-R437 VanDerWaalsContact OE2-CG 3.27Å; E338-R437 WeakPolarHBondContact OE2-CG 2.99Å; E338-R437 IonicContact OE2-CZ 3.55Å; E338-R437 IonicContact OE2-NE 3.87Å; E338-R437 PolarHBondContact OE2-NE 2.77Å; E338-R437 IonicContact OE2-NH2 3.46Å
339	T	96.7	Very high	96.2	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-79.7	-11.3	-179.3	60.8	0	0	0	0	113.2	R336 P337 L341 G342 K390 T392 H395 I414	R336-T339 HydrophobicContact CB-CG2 4.01Å; R336-T339 PolarHBondContact O-N 2.81Å; R336-T339 VanDerWaalsContact O-N 3.13Å; R336-T339 PolarHBondContact O-OG1 3.31Å; P337-T339 PolarHBondContact O-N 2.86Å; P337-T339 VanDerWaalsContact O-N 3.13Å; T339-L341 PolarHBondContact O-N 2.72Å; T339-G342 PolarHBondContact O-N 2.97Å; T339-K390 WeakPolarHBondContact OG1-CE 3.35Å; T339-K390 PolarHBondContact OG1-NZ 3.14Å; T339-T392 WeakPolarHBondContact O-CG2 3.28Å; T339-H395 HydrophobicContact CG2-CB 4.13Å; T339-I414 HydrophobicContact CG2-CD1 4.28Å
340	M	95.6	Very high	96.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-59.5	-24.6	-173.8	77	178.5	-79.1	0	0	113.3	F319 Y321 P337 E338 G342 D343 H365 P366 F367 K390 V440 L444	F319-M340 HydrophobicContact CD2-CE 4.08Å; F319-M340 HydrophobicContact CD2-SD 4.47Å; F319-M340 HydrophobicContact CE1-SD 4.34Å; F319-M340 HydrophobicContact CE2-CE 3.45Å; F319-M340 VanDerWaalsContact CE2-CE 3.45Å; F319-M340 HydrophobicContact CE2-SD 3.95Å; F319-M340 HydrophobicContact CZ-CB 3.85Å; F319-M340 HydrophobicContact CZ-CE 3.9Å; F319-M340 HydrophobicContact CZ-SD 3.88Å; Y321-M340 HydrophobicContact CE1-CE 4.28Å; P337-M340 WeakPolarHBondContact O-CB 3.32Å; P337-M340 WeakPolarHBondContact O-CG 3.42Å; P337-M340 PolarHBondContact O-N 3.25Å; E338-M340 VanDerWaalsContact C-N 3.29Å; E338-M340 PolarHBondContact O-N 3.31Å; M340-G342 PolarHBondContact O-N 3.38Å; M340-G342 VanDerWaalsContact O-N 3.14Å; M340-D343 WeakPolarHBondContact CA-OD1 3.47Å; M340-D343 WeakPolarHBondContact CA-OD2 3.29Å; M340-D343 WeakPolarHBondContact O-CB 3.44Å; M340-D343 PolarHBondContact O-N 3.06Å; M340-H365 PolarHBondContact O-NE2 3.25Å; M340-P366 HydrophobicContact CE-CB 4.44Å; M340-P366 HydrophobicContact CE-CG 3.92Å; M340-F367 HydrophobicContact CE-CD2 3.85Å; M340-F367 HydrophobicContact CE-CE2 3.72Å; M340-F367 HydrophobicContact SD-CD2 4.1Å; M340-F367 HydrophobicContact SD-CE2 3.62Å; M340-K390 HydrophobicContact CB-CD 4.3Å; M340-V440 HydrophobicContact CG-CG1 4.15Å; M340-V440 HydrophobicContact SD-CG1 3.62Å; M340-L444 HydrophobicContact CE-CD2 4.15Å; M340-L444 HydrophobicContact SD-CD1 3.92Å; M340-L444 HydrophobicContact SD-CD2 4.23Å; M340-L444 HydrophobicContact SD-CG 4.36Å
341	L	95.3	Very high	96.3	Very high	9 Å²	9	17.3 Å²	17.3	5%	0.047	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-66.1	-16.8	178.8	-55.4	-162.8	0	0	0	113.6	T339 F367 V413 C424 W427 L428	T339-L341 PolarHBondContact O-N 2.72Å; L341-F367 HydrophobicContact CD2-CB 3.86Å; L341-F367 HydrophobicContact CD2-CD2 3.49Å; L341-F367 VanDerWaalsContact CD2-CD2 3.49Å; L341-F367 HydrophobicContact CD2-CE2 4.4Å; L341-F367 HydrophobicContact CD2-CG 4Å; L341-V413 HydrophobicContact CB-CG1 4.07Å; L341-C424 HydrophobicContact CD1-CB 3.52Å; L341-C424 WeakPolarHBondContact CD1-O 3.33Å; L341-W427 HydrophobicContact CD1-CZ2 4.44Å; L341-L428 HydrophobicContact CD1-CD1 3.44Å; L341-L428 VanDerWaalsContact CD1-CD1 3.44Å
342	G	95.4	Very high	96.3	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.01	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-95.5	8.2	172.5	0	0	0	0	0	113.1	T339 M340 V344	T339-G342 PolarHBondContact O-N 2.97Å; M340-G342 PolarHBondContact O-N 3.38Å; M340-G342 VanDerWaalsContact O-N 3.14Å; G342-V344 PolarHBondContact O-N 2.86Å
343	D	97	Very high	96.2	Very high	11 Å²	11	20.6 Å²	20.6	6%	0.059	12%	0.117	C	C	.	.			trans	-66.4	133.3	-177.9	-71.2	-6.1	0	0	0	110.8	Y321 M340 I372 K390 V391 T392	Y321-D343 PolarHBondContact OH-OD2 3.48Å; M340-D343 WeakPolarHBondContact CA-OD1 3.47Å; M340-D343 WeakPolarHBondContact CA-OD2 3.29Å; M340-D343 WeakPolarHBondContact O-CB 3.44Å; M340-D343 PolarHBondContact O-N 3.06Å; D343-I372 HydrophobicContact CB-CD1 4.24Å; D343-K390 IonicContact OD1-NZ 2.72Å; D343-K390 WeakPolarHBondContact OD2-CB 3.44Å; D343-K390 WeakPolarHBondContact OD2-CD 3.35Å; D343-V391 WeakPolarHBondContact CA-O 3.3Å; D343-T392 PolarHBondContact OD1-OG1 3.25Å
344	V	96.8	Very high	96.1	Very high	16 Å²	16	25.7 Å²	25.7	10%	0.097	13%	0.134	C	C	.	.			trans	-120.4	-12.6	179.2	-60.5	0	0	0	0	112.9	G342 P373 V391 P393 L408 P409 P411	G342-V344 PolarHBondContact O-N 2.86Å; V344-P373 VanDerWaalsContact O-CD 3.3Å; V344-P373 WeakPolarHBondContact O-CD 3.4Å; V344-V391 HydrophobicContact CG2-CG1 4.41Å; V344-V391 PolarHBondContact N-O 3.19Å; V344-P393 HydrophobicContact CG2-CG 3.67Å; V344-L408 HydrophobicContact CG2-CB 3.89Å; V344-L408 HydrophobicContact CG2-CD1 4.14Å; V344-P409 HydrophobicContact CG1-CB 4.16Å; V344-P409 WeakPolarHBondContact CG1-O 3.34Å; V344-P409 WeakPolarHBondContact CG2-O 3.47Å; V344-P411 VanDerWaalsContact CG1-CD 3.43Å; V344-P411 HydrophobicContact CG1-CG 3.72Å
345	A	97.5	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.8	175.2	0	0	0	0	0	110.6	P373 I375 V391 L408	A345-P373 CarbonylContact C-O 3.48Å; A345-P373 VanDerWaalsContact CA-O 3.24Å; A345-P373 WeakPolarHBondContact CA-O 3.48Å; A345-P373 HydrophobicContact CB-CG 4.17Å; A345-P373 WeakPolarHBondContact CB-O 3.31Å; A345-I375 HydrophobicContact CB-CD1 4.32Å; A345-I375 HydrophobicContact CB-CG1 4.2Å; A345-I375 HydrophobicContact CB-CG2 4.38Å; A345-V391 HydrophobicContact CB-CB 4.1Å; A345-V391 HydrophobicContact CB-CG2 4.15Å; A345-V391 PolarHBondContact O-N 3Å; A345-L408 HydrophobicContact CB-CD1 3.86Å; A345-L408 HydrophobicContact CB-CD2 4.45Å
346	V	97.4	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.7	160.2	178.3	0	0	0	0	107.2	Y321 V330 V332 I372 P373 I374 I375 A388 V389	Y321-V346 HydrophobicContact CD2-CG2 3.71Å; Y321-V346 HydrophobicContact CE2-CG2 4.05Å; Y321-V346 HydrophobicContact CG-CG2 4.32Å; V330-V346 HydrophobicContact CG1-CG1 3.87Å; V332-V346 HydrophobicContact CG1-CG1 3.73Å; V332-V346 HydrophobicContact CG1-CG2 4.33Å; V346-I372 HydrophobicContact CG2-CD1 4.07Å; V346-P373 PolarHBondContact N-O 2.69Å; V346-I374 HydrophobicContact CB-CG1 4.46Å; V346-I374 CarbonylContact O-C 3.47Å; V346-I374 VanDerWaalsContact O-CA 3.26Å; V346-I374 WeakPolarHBondContact O-CA 3.47Å; V346-I375 PolarHBondContact O-N 3.03Å; V346-A388 HydrophobicContact CG1-CB 4.13Å; V346-V389 CarbonylContact C-O 3.52Å; V346-V389 WeakPolarHBondContact CA-O 3.25Å
347	A	96.9	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.6	178.4	0	0	0	0	0	111.1	I375 V380 A388 V389 V391 L402	A347-I375 WeakPolarHBondContact CA-O 3.16Å; A347-I375 HydrophobicContact CB-CD1 4.08Å; A347-I375 HydrophobicContact CB-CG1 3.76Å; A347-V380 HydrophobicContact CB-CG2 3.7Å; A347-A388 WeakPolarHBondContact O-CA 3.38Å; A347-V389 HydrophobicContact CB-CG1 3.82Å; A347-V389 PolarHBondContact N-O 3.49Å; A347-V389 PolarHBondContact O-N 3.36Å; A347-V391 HydrophobicContact CB-CG2 3.68Å; A347-L402 HydrophobicContact CB-CD1 4.46Å
348	V	97	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.1	175	-62	0	0	0	0	110.1	Y355 I374 I375 T376 D377 A388	V348-Y355 HydrophobicContact CB-CD2 4.07Å; V348-Y355 HydrophobicContact CB-CG 4.16Å; V348-Y355 HydrophobicContact CG1-CD1 4.14Å; V348-Y355 HydrophobicContact CG1-CD2 3.74Å; V348-Y355 HydrophobicContact CG1-CE2 4.31Å; V348-Y355 HydrophobicContact CG1-CG 3.65Å; V348-I374 HydrophobicContact CG1-CG2 4.41Å; V348-I374 HydrophobicContact CG2-CG2 4.09Å; V348-I375 PolarHBondContact N-O 3.26Å; V348-T376 HydrophobicContact CG2-CG2 4.07Å; V348-T376 CarbonylContact O-C 3.49Å; V348-T376 VanDerWaalsContact O-CA 3.26Å; V348-T376 WeakPolarHBondContact O-CA 3.45Å; V348-D377 PolarHBondContact O-N 3.32Å; V348-A388 HydrophobicContact CG1-CB 3.68Å
349	H	96.7	Very high	95.3	Very high	30 Å²	30	36.5 Å²	36.5	14%	0.139	19%	0.189	C	C	.	.			trans	-71.2	136	172.9	-168.9	-85.6	0	0	0	109.8	D351 D352 V380 M382	H349-D351 IonicContact CE1-OD2 3.93Å; H349-D351 PolarHBondContact CE1-OD2 3.47Å; H349-D351 PolarHBondContact ND1-N 3.06Å; H349-D351 VanDerWaalsContact ND1-N 3.11Å; H349-D351 IonicContact ND1-OD2 3.64Å; H349-D351 PolarHBondContact O-N 3.1Å; H349-D351 VanDerWaalsContact O-N 3.16Å; H349-D352 HydrophobicContact CB-CB 4.21Å; H349-D352 WeakPolarHBondContact O-CB 3.39Å; H349-D352 PolarHBondContact O-N 2.84Å; H349-V380 HydrophobicContact CB-CB 4.4Å; H349-V380 PolarHBondContact CD2-O 2.8Å; H349-V380 VanDerWaalsContact CD2-O 3.26Å; H349-M382 HydrophobicContact CB-CG 3.47Å; H349-M382 VanDerWaalsContact CB-CG 3.47Å; H349-M382 HydrophobicContact CB-SD 4.07Å
350	P	96.2	Very high	95	Very high	39 Å²	39	39.3 Å²	39.3	25%	0.253	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.3	-178	21.8	-33.8	0	0	0	113.6	H359 T376 T378	P350-H359 PolarHBondContact O-CE1 3.24Å; P350-H359 VanDerWaalsContact O-CE1 3.26Å; P350-T376 HydrophobicContact CB-CG2 4.45Å; P350-T378 HydrophobicContact CG-CG2 3.9Å
351	D	95.8	Very high	95	Very high	111 Å²	111	42.2 Å²	42.2	59%	0.594	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	5.6	-179.2	-56.4	-43	0	0	0	113.7	H349 P353	H349-D351 IonicContact CE1-OD2 3.93Å; H349-D351 PolarHBondContact CE1-OD2 3.47Å; H349-D351 PolarHBondContact ND1-N 3.06Å; H349-D351 VanDerWaalsContact ND1-N 3.11Å; H349-D351 IonicContact ND1-OD2 3.64Å; H349-D351 PolarHBondContact O-N 3.1Å; H349-D351 VanDerWaalsContact O-N 3.16Å; D351-P353 WeakPolarHBondContact O-CD 3.47Å
352	D	96	Very high	95	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.249	C	C	.	.			trans	-75.6	109.5	-178.8	-167.2	-26.6	0	0	0	111.6	H349 R354 Y355 Q356 M382	H349-D352 HydrophobicContact CB-CB 4.21Å; H349-D352 WeakPolarHBondContact O-CB 3.39Å; H349-D352 PolarHBondContact O-N 2.84Å; D352-R354 PolarHBondContact O-N 2.87Å; D352-R354 VanDerWaalsContact OD1-CB 3.29Å; D352-R354 WeakPolarHBondContact OD1-CB 3.49Å; D352-R354 WeakPolarHBondContact OD1-CG 3.38Å; D352-R354 IonicContact OD1-CZ 3.74Å; D352-R354 PolarHBondContact OD1-N 2.71Å; D352-R354 IonicContact OD1-NE 2.86Å; D352-R354 PolarHBondContact OD1-NE 3.04Å; D352-R354 IonicContact OD1-NH2 3.44Å; D352-R354 IonicContact OD2-CZ 3.92Å; D352-R354 VanDerWaalsContact OD2-CZ 3.31Å; D352-R354 IonicContact OD2-NE 3.75Å; D352-R354 PolarHBondContact OD2-NE 3.29Å; D352-R354 IonicContact OD2-NH2 3.53Å; D352-R354 PolarHBondContact OD2-NH2 3.43Å; D352-Y355 HydrophobicContact CB-CD2 4.15Å; D352-Y355 PolarHBondContact O-N 3.22Å; D352-Y355 WeakPolarHBondContact OD2-CD2 3.25Å; D352-Q356 PolarHBondContact O-N 3.4Å; D352-M382 HydrophobicContact CB-CE 3.98Å; D352-M382 HydrophobicContact CB-CG 4.14Å; D352-M382 HydrophobicContact CB-SD 4.21Å
353	P	94.5	Very high	95.1	Very high	93 Å²	93	45.1 Å²	45.1	60%	0.604	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.9	-174.9	28.3	-35.9	0	0	0	112.8	D351 Y355	D351-P353 WeakPolarHBondContact O-CD 3.47Å; P353-Y355 VanDerWaalsContact C-N 3.27Å; P353-Y355 PolarHBondContact O-N 3.35Å
354	R	94.1	Very high	95	Very high	120 Å²	120	48.5 Å²	48.5	45%	0.453	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.2	177.9	-61.2	173	-69.6	-167.3	-5.2	112.6	D352 M382 T386	D352-R354 PolarHBondContact O-N 2.87Å; D352-R354 VanDerWaalsContact OD1-CB 3.29Å; D352-R354 WeakPolarHBondContact OD1-CB 3.49Å; D352-R354 WeakPolarHBondContact OD1-CG 3.38Å; D352-R354 IonicContact OD1-CZ 3.74Å; D352-R354 PolarHBondContact OD1-N 2.71Å; D352-R354 IonicContact OD1-NE 2.86Å; D352-R354 PolarHBondContact OD1-NE 3.04Å; D352-R354 IonicContact OD1-NH2 3.44Å; D352-R354 IonicContact OD2-CZ 3.92Å; D352-R354 VanDerWaalsContact OD2-CZ 3.31Å; D352-R354 IonicContact OD2-NE 3.75Å; D352-R354 PolarHBondContact OD2-NE 3.29Å; D352-R354 IonicContact OD2-NH2 3.53Å; D352-R354 PolarHBondContact OD2-NH2 3.43Å; R354-M382 PolarHBondContact NH2-O 3.2Å; R354-T386 PolarHBondContact NH1-O 2.82Å; R354-T386 PolarHBondContact NH2-O 3.22Å
355	Y	94.4	Very high	94.9	Very high	19 Å²	19	47.8 Å²	47.8	8%	0.075	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-1.7	-169.6	-59.6	-67.2	0	0	0	115.2	V330 A331 V348 D352 P353 T357 F358 H359 T386 A388	V330-Y355 HydrophobicContact CG1-CD1 4.28Å; V330-Y355 HydrophobicContact CG1-CE1 3.89Å; A331-Y355 PolarHBondContact O-OH 2.95Å; V348-Y355 HydrophobicContact CB-CD2 4.07Å; V348-Y355 HydrophobicContact CB-CG 4.16Å; V348-Y355 HydrophobicContact CG1-CD1 4.14Å; V348-Y355 HydrophobicContact CG1-CD2 3.74Å; V348-Y355 HydrophobicContact CG1-CE2 4.31Å; V348-Y355 HydrophobicContact CG1-CG 3.65Å; D352-Y355 HydrophobicContact CB-CD2 4.15Å; D352-Y355 PolarHBondContact O-N 3.22Å; D352-Y355 WeakPolarHBondContact OD2-CD2 3.25Å; P353-Y355 VanDerWaalsContact C-N 3.27Å; P353-Y355 PolarHBondContact O-N 3.35Å; Y355-T357 PolarHBondContact O-N 3.26Å; Y355-T357 VanDerWaalsContact O-N 3.13Å; Y355-F358 HydrophobicContact CD1-CD2 4.12Å; Y355-F358 WeakPolarHBondContact O-CA 3.47Å; Y355-F358 PolarHBondContact O-N 3.35Å; Y355-H359 PolarHBondContact O-CD2 2.85Å; Y355-H359 PolarHBondContact O-N 3.24Å; Y355-H359 PolarHBondContact O-NE2 3.04Å; Y355-T386 WeakPolarHBondContact CE2-O 3.41Å; Y355-T386 WeakPolarHBondContact OH-CB 3.47Å; Y355-T386 PolarHBondContact OH-O 3Å; Y355-A388 HydrophobicContact CE1-CB 4.08Å; Y355-A388 HydrophobicContact CE2-CB 3.95Å
356	Q	92.8	Very high	94.6	Very high	111 Å²	111	48.3 Å²	48.3	52%	0.519	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-52.6	-38.2	-178.3	-74.6	179.8	-1	0	0	114.1	D352 F358	D352-Q356 PolarHBondContact O-N 3.4Å; Q356-F358 PolarHBondContact O-N 2.94Å
357	T	91.4	Very high	94.4	Very high	108 Å²	108	50.3 Å²	50.3	66%	0.663	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-72.2	-14.9	178.7	55.4	0	0	0	0	113.6	Y355	Y355-T357 PolarHBondContact O-N 3.26Å; Y355-T357 VanDerWaalsContact O-N 3.13Å
358	F	91.1	Very high	94	Very high	29 Å²	29	52.5 Å²	52.5	13%	0.127	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-102.4	-2	-178.2	-57.1	-66.4	0	0	0	113.4	V323 V330 Y355 Q356 G360 L361 I374	V323-F358 HydrophobicContact CG1-CD1 4.45Å; V323-F358 HydrophobicContact CG2-CD1 3.98Å; V323-F358 HydrophobicContact CG2-CE1 4.1Å; V330-F358 HydrophobicContact CG2-CB 4.45Å; V330-F358 HydrophobicContact CG2-CD2 4.35Å; V330-F358 HydrophobicContact CG2-CG 4.21Å; Y355-F358 HydrophobicContact CD1-CD2 4.12Å; Y355-F358 WeakPolarHBondContact O-CA 3.47Å; Y355-F358 PolarHBondContact O-N 3.35Å; Q356-F358 PolarHBondContact O-N 2.94Å; F358-G360 PolarHBondContact O-N 3.06Å; F358-L361 HydrophobicContact CD1-CD1 4.15Å; F358-L361 WeakPolarHBondContact O-CB 3.49Å; F358-L361 PolarHBondContact O-N 3.43Å; F358-L361 VanDerWaalsContact O-N 3.09Å; F358-I374 HydrophobicContact CB-CD1 3.74Å; F358-I374 WeakPolarHBondContact O-CB 3.39Å; F358-I374 WeakPolarHBondContact O-CD1 3.18Å
359	H	93.6	Very high	93.2	Very high	66 Å²	66	57.6 Å²	57.6	31%	0.306	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	126.3	-180	-68.7	178.5	0	0	0	111.8	P350 Y355 L361 T376	P350-H359 PolarHBondContact O-CE1 3.24Å; P350-H359 VanDerWaalsContact O-CE1 3.26Å; Y355-H359 PolarHBondContact O-CD2 2.85Å; Y355-H359 PolarHBondContact O-N 3.24Å; Y355-H359 PolarHBondContact O-NE2 3.04Å; H359-L361 PolarHBondContact O-N 2.79Å; H359-T376 HydrophobicContact CB-CG2 4.42Å
360	G	89.6	Confident	93	Very high	62 Å²	62	62.4 Å²	62.4	64%	0.639	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-0.5	179.3	0	0	0	0	0	114.9	F358 I374	F358-G360 PolarHBondContact O-N 3.06Å; G360-I374 PolarHBondContact N-O 2.88Å; G360-I374 VanDerWaalsContact N-O 3.15Å
361	L	95.2	Very high	92.9	Very high	61 Å²	61	64.5 Å²	64.5	32%	0.319	34%	0.34	S	S	.	.			trans	-75.6	169.1	171.5	-58.9	-171.9	0	0	0	111	V323 F358 H359 I374	V323-L361 HydrophobicContact CG1-CB 4.13Å; V323-L361 HydrophobicContact CG1-CD1 3.94Å; F358-L361 HydrophobicContact CD1-CD1 4.15Å; F358-L361 WeakPolarHBondContact O-CB 3.49Å; F358-L361 PolarHBondContact O-N 3.43Å; F358-L361 VanDerWaalsContact O-N 3.09Å; H359-L361 PolarHBondContact O-N 2.79Å; L361-I374 HydrophobicContact CB-CD1 4.26Å; L361-I374 PolarHBondContact O-N 2.89Å
362	L	96.4	Very high	93	Very high	70 Å²	70	59.5 Å²	59.5	37%	0.366	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.7	179.5	-57.6	178.3	0	0	0	110.2	E324 L371 I372 P373	E324-L362 HydrophobicContact CB-CB 4.31Å; E324-L362 PolarHBondContact N-O 3.17Å; L362-L371 HydrophobicContact CB-CB 4.34Å; L362-L371 HydrophobicContact CD1-CB 4.18Å; L362-L371 HydrophobicContact CD1-CD1 4Å; L362-I372 CarbonylContact C-O 3.58Å; L362-I372 WeakPolarHBondContact CA-O 3.38Å; L362-P373 HydrophobicContact CD2-CB 3.98Å
363	C	95.9	Very high	93	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144	170.2	-81.3	0	0	0	0	110.2	Y321 P322 L371 I372	Y321-C363 HydrophobicContact CG-CB 4.33Å; P322-C363 CarbonylContact O-C 3.46Å; P322-C363 WeakPolarHBondContact O-CA 3.49Å; C363-L371 CarbonylContact O-C 3.31Å; C363-L371 WeakPolarHBondContact O-CA 3.42Å; C363-I372 HydrophobicContact CB-CD1 4.39Å; C363-I372 HydrophobicContact CB-CG1 3.75Å; C363-I372 PolarHBondContact N-O 3.36Å; C363-I372 PolarHBondContact O-N 3.26Å
364	K	95.3	Very high	93.1	Very high	83 Å²	83	57.1 Å²	57.1	36%	0.361	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.3	172.9	-172	173.4	-176.2	170.2	0	110.7	P322 N369 L371	P322-K364 PolarHBondContact O-N 3.12Å; K364-N369 WeakPolarHBondContact CE-OD1 3.35Å; K364-L371 HydrophobicContact CB-CD2 4.23Å; K364-L371 HydrophobicContact CG-CD2 4.47Å
365	H	95.2	Very high	93.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-70	125.7	179.7	-174.6	-86.9	0	0	0	111.6	Y321 M340 F367 T368 N369 K370	Y321-H365 HydrophobicContact CE1-CB 4.49Å; Y321-H365 AromaticContact CE1-CD2 3.65Å; M340-H365 PolarHBondContact O-NE2 3.25Å; H365-F367 VanDerWaalsContact C-N 3.26Å; H365-F367 PolarHBondContact ND1-N 3.08Å; H365-F367 PolarHBondContact O-N 2.92Å; H365-T368 WeakPolarHBondContact CB-OG1 3.38Å; H365-T368 VanDerWaalsContact CG-OG1 3.25Å; H365-T368 PolarHBondContact ND1-N 2.91Å; H365-T368 PolarHBondContact ND1-OG1 3.45Å; H365-N369 WeakPolarHBondContact O-CA 3.28Å; H365-N369 PolarHBondContact O-N 3.45Å; H365-K370 WeakPolarHBondContact CB-O 3.45Å; H365-K370 PolarHBondContact N-O 3.09Å
366	P	92.1	Very high	93.4	Very high	10 Å²	10	54.1 Å²	54.1	7%	0.065	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.7	-167.5	-30.3	36.9	0	0	0	117.2	Y321 M340 L444 K447 L449	Y321-P366 HydrophobicContact CD1-CG 4.27Å; Y321-P366 HydrophobicContact CE1-CG 4.21Å; M340-P366 HydrophobicContact CE-CB 4.44Å; M340-P366 HydrophobicContact CE-CG 3.92Å; P366-L444 HydrophobicContact CB-CD2 4.38Å; P366-L444 HydrophobicContact CG-CD2 4.37Å; P366-K447 HydrophobicContact CB-CD 4.39Å; P366-K447 VanDerWaalsContact O-CE 3.3Å; P366-K447 WeakPolarHBondContact O-CE 3.27Å; P366-K447 PolarHBondContact O-NZ 3.08Å; P366-L449 HydrophobicContact CB-CD1 3.74Å; P366-L449 HydrophobicContact CG-CD1 3.72Å
367	F	92.6	Very high	93.5	Very high	43 Å²	43	49 Å²	49	19%	0.189	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-27.4	-172.1	-58.1	-64.4	0	0	0	114.2	M340 L341 H365 W427 V440 A443 L444 K447	M340-F367 HydrophobicContact CE-CD2 3.85Å; M340-F367 HydrophobicContact CE-CE2 3.72Å; M340-F367 HydrophobicContact SD-CD2 4.1Å; M340-F367 HydrophobicContact SD-CE2 3.62Å; L341-F367 HydrophobicContact CD2-CB 3.86Å; L341-F367 HydrophobicContact CD2-CD2 3.49Å; L341-F367 VanDerWaalsContact CD2-CD2 3.49Å; L341-F367 HydrophobicContact CD2-CE2 4.4Å; L341-F367 HydrophobicContact CD2-CG 4Å; H365-F367 VanDerWaalsContact C-N 3.26Å; H365-F367 PolarHBondContact ND1-N 3.08Å; H365-F367 PolarHBondContact O-N 2.92Å; F367-W427 HydrophobicContact CD1-CZ2 4.4Å; F367-V440 HydrophobicContact CE2-CG1 4.11Å; F367-A443 HydrophobicContact CE1-CB 3.58Å; F367-A443 HydrophobicContact CZ-CB 3.81Å; F367-L444 HydrophobicContact CE2-CD2 3.82Å; F367-L444 HydrophobicContact CE2-CG 4.01Å; F367-L444 HydrophobicContact CZ-CD2 3.8Å; F367-L444 HydrophobicContact CZ-CG 3.81Å; F367-K447 HydrophobicContact CD1-CD 4.26Å; F367-K447 HydrophobicContact CE1-CD 3.77Å; F367-K447 HydrophobicContact CZ-CD 4.44Å
368	T	87.6	Confident	93.7	Very high	45 Å²	45	48.4 Å²	48.4	28%	0.276	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-10.8	-176.2	63.6	0	0	0	0	112	H365 K370	H365-T368 WeakPolarHBondContact CB-OG1 3.38Å; H365-T368 VanDerWaalsContact CG-OG1 3.25Å; H365-T368 PolarHBondContact ND1-N 2.91Å; H365-T368 PolarHBondContact ND1-OG1 3.45Å; T368-K370 PolarHBondContact O-N 2.8Å; T368-K370 PolarHBondContact OG1-N 3.44Å
369	N	80.4	Confident	93.7	Very high	108 Å²	108	50 Å²	50	58%	0.578	28%	0.275	S	S	*	.			trans	54.8	12.5	-172.4	-65.1	-44.2	0	0	0	114.6	K364 H365	K364-N369 WeakPolarHBondContact CE-OD1 3.35Å; H365-N369 WeakPolarHBondContact O-CA 3.28Å; H365-N369 PolarHBondContact O-N 3.45Å
370	K	91.7	Very high	93.8	Very high	130 Å²	130	47.3 Å²	47.3	57%	0.565	26%	0.263	S	S	*	.			trans	-67.9	143.1	172.3	-69.5	-177	178.1	178.3	0	109.6	H365 T368	H365-K370 WeakPolarHBondContact CB-O 3.45Å; H365-K370 PolarHBondContact N-O 3.09Å; T368-K370 PolarHBondContact O-N 2.8Å; T368-K370 PolarHBondContact OG1-N 3.44Å
371	L	95.8	Very high	93.9	Very high	84 Å²	84	48.9 Å²	48.9	44%	0.44	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.3	169	-62	179.8	0	0	0	108.8	E324 L362 C363 K364	E324-L371 HydrophobicContact CB-CD2 3.9Å; E324-L371 HydrophobicContact CG-CD1 4.28Å; E324-L371 HydrophobicContact CG-CD2 3.83Å; L362-L371 HydrophobicContact CB-CB 4.34Å; L362-L371 HydrophobicContact CD1-CB 4.18Å; L362-L371 HydrophobicContact CD1-CD1 4Å; C363-L371 CarbonylContact O-C 3.31Å; C363-L371 WeakPolarHBondContact O-CA 3.42Å; K364-L371 HydrophobicContact CB-CD2 4.23Å; K364-L371 HydrophobicContact CG-CD2 4.47Å
372	I	96.4	Very high	93.9	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.2	178.8	62.7	178.4	0	0	0	109.6	Y321 D343 V346 L362 C363	Y321-I372 HydrophobicContact CD1-CD1 4.16Å; Y321-I372 HydrophobicContact CE1-CD1 3.89Å; Y321-I372 HydrophobicContact CE2-CD1 4.48Å; D343-I372 HydrophobicContact CB-CD1 4.24Å; V346-I372 HydrophobicContact CG2-CD1 4.07Å; L362-I372 CarbonylContact C-O 3.58Å; L362-I372 WeakPolarHBondContact CA-O 3.38Å; C363-I372 HydrophobicContact CB-CD1 4.39Å; C363-I372 HydrophobicContact CB-CG1 3.75Å; C363-I372 PolarHBondContact N-O 3.36Å; C363-I372 PolarHBondContact O-N 3.26Å
373	P	97.1	Very high	93.8	Very high	42 Å²	42	52.7 Å²	52.7	27%	0.273	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	151.2	-179.2	28	-37.6	0	0	0	113.7	V344 A345 V346 L362 I375	V344-P373 VanDerWaalsContact O-CD 3.3Å; V344-P373 WeakPolarHBondContact O-CD 3.4Å; A345-P373 CarbonylContact C-O 3.48Å; A345-P373 VanDerWaalsContact CA-O 3.24Å; A345-P373 WeakPolarHBondContact CA-O 3.48Å; A345-P373 HydrophobicContact CB-CG 4.17Å; A345-P373 WeakPolarHBondContact CB-O 3.31Å; V346-P373 PolarHBondContact N-O 2.69Å; L362-P373 HydrophobicContact CD2-CB 3.98Å; P373-I375 HydrophobicContact CB-CG2 4.24Å; P373-I375 HydrophobicContact CG-CG2 4.3Å
374	I	96.7	Very high	93.6	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.7	164.3	-56.6	171.6	0	0	0	108	V330 V346 V348 F358 G360 L361	V330-I374 HydrophobicContact CG2-CD1 3.74Å; V346-I374 HydrophobicContact CB-CG1 4.46Å; V346-I374 CarbonylContact O-C 3.47Å; V346-I374 VanDerWaalsContact O-CA 3.26Å; V346-I374 WeakPolarHBondContact O-CA 3.47Å; V348-I374 HydrophobicContact CG1-CG2 4.41Å; V348-I374 HydrophobicContact CG2-CG2 4.09Å; F358-I374 HydrophobicContact CB-CD1 3.74Å; F358-I374 WeakPolarHBondContact O-CB 3.39Å; F358-I374 WeakPolarHBondContact O-CD1 3.18Å; G360-I374 PolarHBondContact N-O 2.88Å; G360-I374 VanDerWaalsContact N-O 3.15Å; L361-I374 HydrophobicContact CB-CD1 4.26Å; L361-I374 PolarHBondContact O-N 2.89Å
375	I	96.8	Very high	93.4	Very high	21 Å²	21	54.3 Å²	54.3	11%	0.108	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	157.5	-179.2	63.9	164	0	0	0	111.1	A345 V346 A347 V348 P373 H406 L408	A345-I375 HydrophobicContact CB-CD1 4.32Å; A345-I375 HydrophobicContact CB-CG1 4.2Å; A345-I375 HydrophobicContact CB-CG2 4.38Å; V346-I375 PolarHBondContact O-N 3.03Å; A347-I375 WeakPolarHBondContact CA-O 3.16Å; A347-I375 HydrophobicContact CB-CD1 4.08Å; A347-I375 HydrophobicContact CB-CG1 3.76Å; V348-I375 PolarHBondContact N-O 3.26Å; P373-I375 HydrophobicContact CB-CG2 4.24Å; P373-I375 HydrophobicContact CG-CG2 4.3Å; I375-H406 HydrophobicContact CD1-CB 4.31Å; I375-L408 HydrophobicContact CD1-CD1 4.02Å
376	T	96.9	Very high	93.3	Very high	54 Å²	54	55.5 Å²	55.5	33%	0.331	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.3	175	56.6	0	0	0	0	110.6	V348 P350 H359 H406	V348-T376 HydrophobicContact CG2-CG2 4.07Å; V348-T376 CarbonylContact O-C 3.49Å; V348-T376 VanDerWaalsContact O-CA 3.26Å; V348-T376 WeakPolarHBondContact O-CA 3.45Å; P350-T376 HydrophobicContact CB-CG2 4.45Å; H359-T376 HydrophobicContact CB-CG2 4.42Å; T376-H406 PolarHBondContact O-CE1 2.92Å
377	D	96.1	Very high	93.4	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.027	30%	0.298	C	S	.	.			trans	-150.7	138.1	173.6	-155.3	-65.6	0	0	0	112	V348 M379 V380 L402 K405 H406	V348-D377 PolarHBondContact O-N 3.32Å; D377-M379 PolarHBondContact O-N 3.16Å; D377-M379 WeakPolarHBondContact OD1-CB 3.47Å; D377-M379 WeakPolarHBondContact OD1-CG 3.45Å; D377-M379 PolarHBondContact OD1-N 3.32Å; D377-V380 HydrophobicContact CB-CG2 4.49Å; D377-V380 PolarHBondContact O-N 3.28Å; D377-L402 HydrophobicContact CB-CD2 3.71Å; D377-L402 VanDerWaalsContact CG-CD2 3.44Å; D377-K405 IonicContact OD1-NZ 3.26Å; D377-K405 PolarHBondContact OD1-NZ 3.05Å; D377-K405 VanDerWaalsContact OD2-CD 3.27Å; D377-K405 WeakPolarHBondContact OD2-CD 3.44Å; D377-K405 WeakPolarHBondContact OD2-CE 3.47Å; D377-K405 IonicContact OD2-NZ 3.46Å; D377-K405 PolarHBondContact OD2-NZ 3.4Å; D377-H406 IonicContact OD2-CD2 2.78Å; D377-H406 IonicContact OD2-CE1 3.22Å; D377-H406 IonicContact OD2-NE2 2.68Å; D377-H406 PolarHBondContact OD2-NE2 3.47Å
378	T	95.1	Very high	93.5	Very high	95 Å²	95	53.3 Å²	53.3	58%	0.583	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.4	177.2	55.5	0	0	0	0	113.3	P350 V380	P350-T378 HydrophobicContact CG-CG2 3.9Å; T378-V380 PolarHBondContact O-N 3.33Å
379	M	92.1	Very high	93.9	Very high	63 Å²	63	53.4 Å²	53.4	31%	0.31	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.9	171.6	-70.4	-179.9	65.5	0	0	112.8	D377 M398 L402	D377-M379 PolarHBondContact O-N 3.16Å; D377-M379 WeakPolarHBondContact OD1-CB 3.47Å; D377-M379 WeakPolarHBondContact OD1-CG 3.45Å; D377-M379 PolarHBondContact OD1-N 3.32Å; M379-M398 HydrophobicContact CB-CE 3.81Å; M379-M398 HydrophobicContact CE-CE 3.99Å; M379-M398 HydrophobicContact CE-CG 3.77Å; M379-M398 WeakPolarHBondContact O-CE 3.46Å; M379-L402 HydrophobicContact CB-CD2 4.3Å; M379-L402 HydrophobicContact SD-CD2 4Å; M379-L402 HydrophobicContact SD-CG 4.47Å
380	V	94.1	Very high	94.6	Very high	9 Å²	9	48.7 Å²	48.7	6%	0.055	27%	0.266	C	S	.	.	S	Bend	trans	-78.3	123.6	-179.2	-177.1	0	0	0	0	110.5	A347 H349 D377 T378 G387 V389	A347-V380 HydrophobicContact CB-CG2 3.7Å; H349-V380 HydrophobicContact CB-CB 4.4Å; H349-V380 PolarHBondContact CD2-O 2.8Å; H349-V380 VanDerWaalsContact CD2-O 3.26Å; D377-V380 HydrophobicContact CB-CG2 4.49Å; D377-V380 PolarHBondContact O-N 3.28Å; T378-V380 PolarHBondContact O-N 3.33Å; V380-G387 WeakPolarHBondContact CG1-O 3.47Å; V380-V389 HydrophobicContact CG1-CG1 4.32Å; V380-V389 HydrophobicContact CG2-CG1 4.03Å
381	D	93.2	Very high	94.9	Very high	94 Å²	94	42.5 Å²	42.5	50%	0.503	24%	0.239	S	C	.	.			trans	-79.4	118.5	174.5	-175.6	-12.8	0	0	0	110.8	D383 M384	D381-D383 VanDerWaalsContact C-N 3.3Å; D381-D383 PolarHBondContact O-N 3.45Å; D381-D383 PolarHBondContact OD1-N 3.23Å; D381-M384 HydrophobicContact CB-CB 3.87Å; D381-M384 PolarHBondContact O-N 3.15Å
382	M	95.4	Very high	94.9	Very high	56 Å²	56	38.6 Å²	38.6	28%	0.276	22%	0.218	S	C	.	.	S	Bend	trans	-64.9	-31.8	178.7	-67.9	178	52.4	0	0	112.8	H349 D352 R354	H349-M382 HydrophobicContact CB-CG 3.47Å; H349-M382 VanDerWaalsContact CB-CG 3.47Å; H349-M382 HydrophobicContact CB-SD 4.07Å; D352-M382 HydrophobicContact CB-CE 3.98Å; D352-M382 HydrophobicContact CB-CG 4.14Å; D352-M382 HydrophobicContact CB-SD 4.21Å; R354-M382 PolarHBondContact NH2-O 3.2Å
383	D	93.6	Very high	94.9	Very high	155 Å²	155	38.3 Å²	38.3	83%	0.829	22%	0.217	S	C	*	.	S	Bend	trans	-84.7	-16.9	-175.3	-66.4	-37.8	0	0	0	112.1	D381	D381-D383 VanDerWaalsContact C-N 3.3Å; D381-D383 PolarHBondContact O-N 3.45Å; D381-D383 PolarHBondContact OD1-N 3.23Å
384	M	90.9	Very high	94.8	Very high	95 Å²	95	36.3 Å²	36.3	47%	0.468	20%	0.204	S	C	.	.	S	Bend	trans	-82.2	123.9	-178.6	-170.3	65.8	157.8	0	0	112	M316 D381 T386 G387 H456	M316-M384 HydrophobicContact CE-CE 3.89Å; M316-M384 HydrophobicContact CE-SD 4.37Å; D381-M384 HydrophobicContact CB-CB 3.87Å; D381-M384 PolarHBondContact O-N 3.15Å; M384-T386 PolarHBondContact O-N 3.26Å; M384-T386 VanDerWaalsContact O-N 3.12Å; M384-G387 PolarHBondContact O-N 3.5Å; M384-H456 WeakPolarHBondContact CE-CE1 3.49Å
385	G	90.9	Very high	94.7	Very high	22 Å²	22	36.2 Å²	36.2	23%	0.227	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	-114.1	173.3	0	0	0	0	0	112.4	S333	S333-G385 WeakPolarHBondContact OG-CA 3.09Å
386	T	94.4	Very high	94.6	Very high	26 Å²	26	38.2 Å²	38.2	16%	0.16	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-8	173.6	49.3	0	0	0	0	112.8	T318 A331 S333 R354 Y355 M384 A388	T318-T386 HydrophobicContact CG2-CG2 3.85Å; A331-T386 HydrophobicContact CB-CG2 4.09Å; A331-T386 VanDerWaalsContact O-CB 3.27Å; A331-T386 WeakPolarHBondContact O-CB 3.47Å; A331-T386 PolarHBondContact O-OG1 3.21Å; S333-T386 PolarHBondContact OG-N 2.94Å; R354-T386 PolarHBondContact NH1-O 2.82Å; R354-T386 PolarHBondContact NH2-O 3.22Å; Y355-T386 WeakPolarHBondContact CE2-O 3.41Å; Y355-T386 WeakPolarHBondContact OH-CB 3.47Å; Y355-T386 PolarHBondContact OH-O 3Å; M384-T386 PolarHBondContact O-N 3.26Å; M384-T386 VanDerWaalsContact O-N 3.12Å; T386-A388 PolarHBondContact OG1-N 3.04Å; T386-A388 PolarHBondContact OG1-O 3.06Å
387	G	93.5	Very high	94.3	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	81.9	-1.4	-166.2	0	0	0	0	0	114.3	V380 M384	V380-G387 WeakPolarHBondContact CG1-O 3.47Å; M384-G387 PolarHBondContact O-N 3.5Å
388	A	95.7	Very high	94	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.1	171.1	0	0	0	0	0	110.3	V330 V332 V346 A347 V348 Y355 T386	V330-A388 HydrophobicContact CG1-CB 3.9Å; V332-A388 HydrophobicContact CG1-CB 4.13Å; V346-A388 HydrophobicContact CG1-CB 4.13Å; A347-A388 WeakPolarHBondContact O-CA 3.38Å; V348-A388 HydrophobicContact CG1-CB 3.68Å; Y355-A388 HydrophobicContact CE1-CB 4.08Å; Y355-A388 HydrophobicContact CE2-CB 3.95Å; T386-A388 PolarHBondContact OG1-N 3.04Å; T386-A388 PolarHBondContact OG1-O 3.06Å
389	V	94.6	Very high	94	Very high	47 Å²	47	39.5 Å²	39.5	29%	0.285	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.4	-178.1	68.4	0	0	0	0	110.5	V346 A347 V380	V346-V389 CarbonylContact C-O 3.52Å; V346-V389 WeakPolarHBondContact CA-O 3.25Å; A347-V389 HydrophobicContact CB-CG1 3.82Å; A347-V389 PolarHBondContact N-O 3.49Å; A347-V389 PolarHBondContact O-N 3.36Å; V380-V389 HydrophobicContact CG1-CG1 4.32Å; V380-V389 HydrophobicContact CG2-CG1 4.03Å
390	K	96.3	Very high	94	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.043	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	141.1	168	56.9	162.4	-155.3	68.4	0	109.9	F319 V332 T334 T339 M340 D343 T392	F319-K390 HydrophobicContact CZ-CD 4.35Å; V332-K390 HydrophobicContact CG2-CB 4.43Å; T334-K390 HydrophobicContact CG2-CD 4.22Å; T334-K390 WeakPolarHBondContact OG1-CE 3.22Å; T339-K390 WeakPolarHBondContact OG1-CE 3.35Å; T339-K390 PolarHBondContact OG1-NZ 3.14Å; M340-K390 HydrophobicContact CB-CD 4.3Å; D343-K390 IonicContact OD1-NZ 2.72Å; D343-K390 WeakPolarHBondContact OD2-CB 3.44Å; D343-K390 WeakPolarHBondContact OD2-CD 3.35Å; K390-T392 PolarHBondContact NZ-OG1 3.08Å
391	V	97.3	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	109.1	179.3	-175.2	0	0	0	0	109.4	D343 V344 A345 A347 P393 D399 L402 L408	D343-V391 WeakPolarHBondContact CA-O 3.3Å; V344-V391 HydrophobicContact CG2-CG1 4.41Å; V344-V391 PolarHBondContact N-O 3.19Å; A345-V391 HydrophobicContact CB-CB 4.1Å; A345-V391 HydrophobicContact CB-CG2 4.15Å; A345-V391 PolarHBondContact O-N 3Å; A347-V391 HydrophobicContact CB-CG2 3.68Å; V391-P393 HydrophobicContact CG1-CG 4.01Å; V391-P393 WeakPolarHBondContact O-CD 3.31Å; V391-D399 HydrophobicContact CG1-CB 4.05Å; V391-L402 HydrophobicContact CG1-CB 4.44Å; V391-L402 HydrophobicContact CG2-CD1 4.43Å; V391-L408 HydrophobicContact CG1-CD1 4.09Å
392	T	96.6	Very high	93.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.197	C	C	.	.			trans	-120.1	79	178	-36.2	0	0	0	0	111.8	T339 D343 K390 A394 H395 D399	T339-T392 WeakPolarHBondContact O-CG2 3.28Å; D343-T392 PolarHBondContact OD1-OG1 3.25Å; K390-T392 PolarHBondContact NZ-OG1 3.08Å; T392-A394 VanDerWaalsContact C-N 3.28Å; T392-A394 PolarHBondContact O-N 3.19Å; T392-H395 HydrophobicContact CG2-CB 4.33Å; T392-H395 PolarHBondContact O-N 3.18Å; T392-D399 PolarHBondContact N-OD2 3.22Å
393	P	94.9	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.6	-162.9	-31.1	40.2	0	0	0	117.1	V344 V391 H395 F400 S403 R410	V344-P393 HydrophobicContact CG2-CG 3.67Å; V391-P393 HydrophobicContact CG1-CG 4.01Å; V391-P393 WeakPolarHBondContact O-CD 3.31Å; P393-H395 VanDerWaalsContact C-N 3.27Å; P393-H395 PolarHBondContact O-N 3.31Å; P393-F400 WeakPolarHBondContact O-CB 3.26Å; P393-S403 VanDerWaalsContact CG-CB 3.42Å; P393-R410 HydrophobicContact CB-CB 4.12Å; P393-R410 HydrophobicContact CB-CG 3.71Å; P393-R410 HydrophobicContact CG-CG 4.43Å
394	A	95.1	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.9	-178.4	0	0	0	0	0	113.9	L275 T392 P411 L474	L275-A394 VanDerWaalsContact CD1-C 3.48Å; L275-A394 VanDerWaalsContact CD1-O 3.23Å; L275-A394 WeakPolarHBondContact CD1-O 3.4Å; T392-A394 VanDerWaalsContact C-N 3.28Å; T392-A394 PolarHBondContact O-N 3.19Å; A394-P411 VanDerWaalsContact CB-O 3.23Å; A394-P411 WeakPolarHBondContact CB-O 3.22Å; A394-L474 HydrophobicContact CB-CB 4.07Å; A394-L474 PolarHBondContact O-N 3.49Å
395	H	95.5	Very high	93.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	2.2	-171.6	-66.8	-64.6	0	0	0	115.1	R336 T339 T392 P393 V413 I414 E471 P472 L473	R336-H395 PolarHBondContact NH1-O 3.41Å; T339-H395 HydrophobicContact CG2-CB 4.13Å; T392-H395 HydrophobicContact CG2-CB 4.33Å; T392-H395 PolarHBondContact O-N 3.18Å; P393-H395 VanDerWaalsContact C-N 3.27Å; P393-H395 PolarHBondContact O-N 3.31Å; H395-V413 VanDerWaalsContact CD2-CG2 3.5Å; H395-V413 WeakPolarHBondContact CD2-CG2 3.45Å; H395-V413 VanDerWaalsContact NE2-CG2 3.35Å; H395-V413 WeakPolarHBondContact NE2-CG2 3.44Å; H395-V413 PolarHBondContact NE2-N 3.08Å; H395-I414 PolarHBondContact CE1-N 3.15Å; H395-I414 PolarHBondContact NE2-N 3.11Å; H395-E471 IonicContact CE1-OE1 2.81Å; H395-E471 IonicContact CG-OE1 3.67Å; H395-E471 IonicContact ND1-OE1 2.92Å; H395-E471 PolarHBondContact ND1-OE1 2.94Å; H395-P472 WeakPolarHBondContact CA-O 3.15Å; H395-P472 PolarHBondContact ND1-O 3.15Å; H395-P472 WeakPolarHBondContact O-CG 2.94Å; H395-L473 VanDerWaalsContact CE1-CD2 3.5Å; H395-L473 WeakPolarHBondContact CE1-CD2 3.33Å
396	D	93.8	Very high	93.8	Very high	62 Å²	62	36 Å²	36	33%	0.332	18%	0.175	S	C	.	.			trans	-149.7	137.5	177.2	-178.1	-84.1	0	0	0	111	L275 M398 D399 F400	L275-D396 WeakPolarHBondContact CD2-O 3.46Å; D396-M398 WeakPolarHBondContact OD1-CA 3.41Å; D396-M398 VanDerWaalsContact OD1-CB 3.24Å; D396-M398 WeakPolarHBondContact OD1-CB 3.44Å; D396-M398 PolarHBondContact OD1-N 3.1Å; D396-D399 HydrophobicContact CB-CB 3.94Å; D396-D399 PolarHBondContact O-N 3.27Å; D396-D399 PolarHBondContact OD1-N 3.24Å; D396-F400 WeakPolarHBondContact O-CB 3.11Å; D396-F400 PolarHBondContact O-N 2.87Å
397	F	90.6	Very high	93.8	Very high	88 Å²	88	40.1 Å²	40.1	39%	0.386	20%	0.204	S	C	.	.	H	α-helix	trans	-68.8	-35.3	-175.2	-72.4	-83.3	0	0	0	112.8	L275 N277 F400 Q401 P472	L275-F397 HydrophobicContact CB-CD1 4.08Å; L275-F397 HydrophobicContact CB-CE1 3.91Å; L275-F397 HydrophobicContact CD2-CB 4.15Å; L275-F397 HydrophobicContact CD2-CD1 3.6Å; L275-F397 HydrophobicContact CD2-CD2 3.99Å; L275-F397 HydrophobicContact CD2-CE1 3.9Å; L275-F397 HydrophobicContact CD2-CE2 4.27Å; L275-F397 HydrophobicContact CD2-CG 3.64Å; L275-F397 HydrophobicContact CD2-CZ 4.22Å; L275-F397 HydrophobicContact CG-CD1 4.22Å; L275-F397 HydrophobicContact CG-CE1 4.07Å; L275-F397 HydrophobicContact CG-CZ 4.38Å; L275-F397 WeakPolarHBondContact O-CE1 3.42Å; N277-F397 WeakPolarHBondContact OD1-CE2 3.48Å; N277-F397 WeakPolarHBondContact OD1-CZ 3.35Å; F397-F400 PolarHBondContact O-N 2.82Å; F397-Q401 WeakPolarHBondContact O-CG 3.35Å; F397-Q401 PolarHBondContact O-N 2.77Å; F397-Q401 VanDerWaalsContact O-N 3.13Å; F397-P472 HydrophobicContact CD2-CB 4.29Å; F397-P472 HydrophobicContact CD2-CG 4.28Å; F397-P472 HydrophobicContact CE2-CB 3.94Å; F397-P472 HydrophobicContact CE2-CG 4.01Å; F397-P472 HydrophobicContact CZ-CB 4.47Å
398	M	90.6	Very high	93.9	Very high	84 Å²	84	41.1 Å²	41.1	41%	0.414	21%	0.209	S	C	.	.	H	α-helix	trans	-72.5	-43	177.8	-169	177.9	-173.4	0	0	110.1	M379 D396 F400 Q401 L402	M379-M398 HydrophobicContact CB-CE 3.81Å; M379-M398 HydrophobicContact CE-CE 3.99Å; M379-M398 HydrophobicContact CE-CG 3.77Å; M379-M398 WeakPolarHBondContact O-CE 3.46Å; D396-M398 WeakPolarHBondContact OD1-CA 3.41Å; D396-M398 VanDerWaalsContact OD1-CB 3.24Å; D396-M398 WeakPolarHBondContact OD1-CB 3.44Å; D396-M398 PolarHBondContact OD1-N 3.1Å; M398-F400 VanDerWaalsContact C-N 3.27Å; M398-F400 PolarHBondContact O-N 2.68Å; M398-Q401 PolarHBondContact O-N 3.39Å; M398-L402 PolarHBondContact O-N 3.07Å
399	D	94.8	Very high	93.8	Very high	9 Å²	9	45 Å²	45	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-36.1	174.2	-66.2	-14.7	0	0	0	111.6	V391 T392 D396 L402 S403	V391-D399 HydrophobicContact CG1-CB 4.05Å; T392-D399 PolarHBondContact N-OD2 3.22Å; D396-D399 HydrophobicContact CB-CB 3.94Å; D396-D399 PolarHBondContact O-N 3.27Å; D396-D399 PolarHBondContact OD1-N 3.24Å; D399-L402 PolarHBondContact O-N 2.87Å; D399-S403 WeakPolarHBondContact O-CB 3.05Å; D399-S403 PolarHBondContact O-N 3.18Å
400	F	92.5	Very high	93.8	Very high	21 Å²	21	47.6 Å²	47.6	9%	0.092	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-45.7	174.1	-176	-103.7	0	0	0	111.6	L275 P393 D396 F397 M398 S403 Q404 L474	L275-F400 HydrophobicContact CB-CD1 4.49Å; L275-F400 HydrophobicContact CB-CD2 4.46Å; L275-F400 HydrophobicContact CB-CG 4.28Å; L275-F400 HydrophobicContact CD2-CB 4.22Å; P393-F400 WeakPolarHBondContact O-CB 3.26Å; D396-F400 WeakPolarHBondContact O-CB 3.11Å; D396-F400 PolarHBondContact O-N 2.87Å; F397-F400 PolarHBondContact O-N 2.82Å; M398-F400 VanDerWaalsContact C-N 3.27Å; M398-F400 PolarHBondContact O-N 2.68Å; F400-S403 WeakPolarHBondContact O-CB 3.35Å; F400-S403 PolarHBondContact O-N 3.23Å; F400-S403 PolarHBondContact O-OG 2.91Å; F400-Q404 HydrophobicContact CE1-CG 4.36Å; F400-Q404 WeakPolarHBondContact O-CG 3.49Å; F400-Q404 PolarHBondContact O-N 3.31Å; F400-Q404 VanDerWaalsContact O-N 3.08Å; F400-L474 HydrophobicContact CD2-CD1 4.26Å; F400-L474 HydrophobicContact CE2-CD1 3.57Å; F400-L474 HydrophobicContact CZ-CD1 4.31Å
401	Q	90.3	Very high	93.7	Very high	105 Å²	105	48.8 Å²	48.8	49%	0.491	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-43.5	175.4	-72.3	178.2	-10.4	0	0	112	F397 M398 S403 Q404 K405	F397-Q401 WeakPolarHBondContact O-CG 3.35Å; F397-Q401 PolarHBondContact O-N 2.77Å; F397-Q401 VanDerWaalsContact O-N 3.13Å; M398-Q401 PolarHBondContact O-N 3.39Å; Q401-S403 VanDerWaalsContact C-N 3.28Å; Q401-S403 PolarHBondContact O-N 3.24Å; Q401-Q404 PolarHBondContact O-N 3.01Å; Q401-K405 PolarHBondContact O-N 2.94Å
402	L	92.4	Very high	93.5	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-41.4	173.8	-75	172.9	0	0	0	111.3	A347 D377 M379 V391 M398 D399 Q404 K405 H406	A347-L402 HydrophobicContact CB-CD1 4.46Å; D377-L402 HydrophobicContact CB-CD2 3.71Å; D377-L402 VanDerWaalsContact CG-CD2 3.44Å; M379-L402 HydrophobicContact CB-CD2 4.3Å; M379-L402 HydrophobicContact SD-CD2 4Å; M379-L402 HydrophobicContact SD-CG 4.47Å; V391-L402 HydrophobicContact CG1-CB 4.44Å; V391-L402 HydrophobicContact CG2-CD1 4.43Å; M398-L402 PolarHBondContact O-N 3.07Å; D399-L402 PolarHBondContact O-N 2.87Å; L402-Q404 VanDerWaalsContact C-N 3.31Å; L402-Q404 PolarHBondContact O-N 2.59Å; L402-K405 PolarHBondContact O-N 3.44Å; L402-H406 WeakPolarHBondContact O-CB 3.47Å; L402-H406 PolarHBondContact O-CD2 3.38Å; L402-H406 PolarHBondContact O-N 3.37Å
403	S	93.8	Very high	93.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-36.2	177.4	81	0	0	0	0	113.3	P393 D399 F400 Q401 S407 L408 R410	P393-S403 VanDerWaalsContact CG-CB 3.42Å; D399-S403 WeakPolarHBondContact O-CB 3.05Å; D399-S403 PolarHBondContact O-N 3.18Å; F400-S403 WeakPolarHBondContact O-CB 3.35Å; F400-S403 PolarHBondContact O-N 3.23Å; F400-S403 PolarHBondContact O-OG 2.91Å; Q401-S403 VanDerWaalsContact C-N 3.28Å; Q401-S403 PolarHBondContact O-N 3.24Å; S403-S407 CarbonylContact O-C 3.55Å; S403-S407 VanDerWaalsContact O-CA 3.27Å; S403-S407 WeakPolarHBondContact O-CA 3.36Å; S403-S407 PolarHBondContact O-N 3.23Å; S403-L408 PolarHBondContact O-N 3.26Å; S403-R410 WeakPolarHBondContact OG-CD 3.49Å
404	Q	90.5	Very high	93.5	Very high	112 Å²	112	50.5 Å²	50.5	52%	0.523	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-45.5	175.5	-69.7	178	-34.2	0	0	110.8	F400 Q401 L402 H406	F400-Q404 HydrophobicContact CE1-CG 4.36Å; F400-Q404 WeakPolarHBondContact O-CG 3.49Å; F400-Q404 PolarHBondContact O-N 3.31Å; F400-Q404 VanDerWaalsContact O-N 3.08Å; Q401-Q404 PolarHBondContact O-N 3.01Å; L402-Q404 VanDerWaalsContact C-N 3.31Å; L402-Q404 PolarHBondContact O-N 2.59Å; Q404-H406 PolarHBondContact O-N 3.49Å
405	K	93	Very high	93.5	Very high	121 Å²	121	54.5 Å²	54.5	53%	0.526	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-38.9	-179.7	-174.5	174.8	173.1	-168.8	0	112.8	D377 Q401 L402	D377-K405 IonicContact OD1-NZ 3.26Å; D377-K405 PolarHBondContact OD1-NZ 3.05Å; D377-K405 VanDerWaalsContact OD2-CD 3.27Å; D377-K405 WeakPolarHBondContact OD2-CD 3.44Å; D377-K405 WeakPolarHBondContact OD2-CE 3.47Å; D377-K405 IonicContact OD2-NZ 3.46Å; D377-K405 PolarHBondContact OD2-NZ 3.4Å; Q401-K405 PolarHBondContact O-N 2.94Å; L402-K405 PolarHBondContact O-N 3.44Å
406	H	94.6	Very high	93.3	Very high	58 Å²	58	55.2 Å²	55.2	27%	0.269	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	8.2	-176.5	-65.9	-81.2	0	0	0	114.1	I375 T376 D377 L402 Q404 L408	I375-H406 HydrophobicContact CD1-CB 4.31Å; T376-H406 PolarHBondContact O-CE1 2.92Å; D377-H406 IonicContact OD2-CD2 2.78Å; D377-H406 IonicContact OD2-CE1 3.22Å; D377-H406 IonicContact OD2-NE2 2.68Å; D377-H406 PolarHBondContact OD2-NE2 3.47Å; L402-H406 WeakPolarHBondContact O-CB 3.47Å; L402-H406 PolarHBondContact O-CD2 3.38Å; L402-H406 PolarHBondContact O-N 3.37Å; Q404-H406 PolarHBondContact O-N 3.49Å; H406-L408 VanDerWaalsContact C-N 3.33Å; H406-L408 HydrophobicContact CB-CD1 4.18Å; H406-L408 HydrophobicContact CB-CD2 4.31Å; H406-L408 HydrophobicContact CB-CG 3.89Å; H406-L408 PolarHBondContact O-N 3.05Å
407	S	94.3	Very high	93.3	Very high	112 Å²	112	56 Å²	56	78%	0.783	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	43.1	-179.1	-58	0	0	0	0	114.1	S403	S403-S407 CarbonylContact O-C 3.55Å; S403-S407 VanDerWaalsContact O-CA 3.27Å; S403-S407 WeakPolarHBondContact O-CA 3.36Å; S403-S407 PolarHBondContact O-N 3.23Å
408	L	94.6	Very high	93.5	Very high	24 Å²	24	52 Å²	52	13%	0.126	27%	0.269	C	S	.	.			trans	-86.7	151.6	-177.3	-56.2	172.9	0	0	0	112.5	V344 A345 I375 V391 S403 H406	V344-L408 HydrophobicContact CG2-CB 3.89Å; V344-L408 HydrophobicContact CG2-CD1 4.14Å; A345-L408 HydrophobicContact CB-CD1 3.86Å; A345-L408 HydrophobicContact CB-CD2 4.45Å; I375-L408 HydrophobicContact CD1-CD1 4.02Å; V391-L408 HydrophobicContact CG1-CD1 4.09Å; S403-L408 PolarHBondContact O-N 3.26Å; H406-L408 VanDerWaalsContact C-N 3.33Å; H406-L408 HydrophobicContact CB-CD1 4.18Å; H406-L408 HydrophobicContact CB-CD2 4.31Å; H406-L408 HydrophobicContact CB-CG 3.89Å; H406-L408 PolarHBondContact O-N 3.05Å
409	P	93.7	Very high	93.8	Very high	87 Å²	87	48.9 Å²	48.9	57%	0.565	26%	0.256	S	S	*	.			trans	-61.8	157.3	171.6	-19.2	31.3	0	0	0	112.4	V344 P411	V344-P409 HydrophobicContact CG1-CB 4.16Å; V344-P409 WeakPolarHBondContact CG1-O 3.34Å; V344-P409 WeakPolarHBondContact CG2-O 3.47Å; P409-P411 VanDerWaalsContact C-CD 3.49Å
410	R	94.5	Very high	93.9	Very high	100 Å²	100	48.5 Å²	48.5	38%	0.377	25%	0.253	S	S	.	.			trans	-129.3	61.5	-175.5	-57.1	176.7	-82	-171.2	-2.3	112.6	P393 S403 L474	P393-R410 HydrophobicContact CB-CB 4.12Å; P393-R410 HydrophobicContact CB-CG 3.71Å; P393-R410 HydrophobicContact CG-CG 4.43Å; S403-R410 WeakPolarHBondContact OG-CD 3.49Å; R410-L474 HydrophobicContact CB-CD2 3.84Å
411	P	93.7	Very high	94	Very high	36 Å²	36	49.7 Å²	49.7	23%	0.234	26%	0.259	C	S	.	.			trans	-70.3	130.9	-179.6	30.7	-34.3	0	0	0	111.2	V344 A394 P409	V344-P411 VanDerWaalsContact CG1-CD 3.43Å; V344-P411 HydrophobicContact CG1-CG 3.72Å; A394-P411 VanDerWaalsContact CB-O 3.23Å; A394-P411 WeakPolarHBondContact CB-O 3.22Å; P409-P411 VanDerWaalsContact C-CD 3.49Å
412	S	94	Very high	94	Very high	35 Å²	35	47.1 Å²	47.1	25%	0.245	25%	0.252	C	S	.	.			trans	-91	126.2	172.3	-172.8	0	0	0	0	110.3	I414 L423	S412-I414 PolarHBondContact OG-O 3.49Å; S412-L423 WeakPolarHBondContact O-CD2 3.47Å
413	V	95.6	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.			trans	-105.1	-8.9	-180	-74.1	0	0	0	0	114.2	L341 H395 M420 E421 L423 C424	L341-V413 HydrophobicContact CB-CG1 4.07Å; H395-V413 VanDerWaalsContact CD2-CG2 3.5Å; H395-V413 WeakPolarHBondContact CD2-CG2 3.45Å; H395-V413 VanDerWaalsContact NE2-CG2 3.35Å; H395-V413 WeakPolarHBondContact NE2-CG2 3.44Å; H395-V413 PolarHBondContact NE2-N 3.08Å; V413-M420 HydrophobicContact CB-CE 4.36Å; V413-M420 WeakPolarHBondContact O-CA 2.95Å; V413-E421 PolarHBondContact O-N 2.93Å; V413-L423 HydrophobicContact CG1-CD1 3.61Å; V413-L423 HydrophobicContact CG1-CD2 4.41Å; V413-L423 HydrophobicContact CG1-CG 4.15Å; V413-C424 PolarHBondContact O-SG 3.26Å
414	I	96.5	Very high	93.8	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-118.3	132.1	178.1	-58.7	167.7	0	0	0	109.1	T339 H395 S412 M420 R433 E471 L473	T339-I414 HydrophobicContact CG2-CD1 4.28Å; H395-I414 PolarHBondContact CE1-N 3.15Å; H395-I414 PolarHBondContact NE2-N 3.11Å; S412-I414 PolarHBondContact OG-O 3.49Å; I414-M420 HydrophobicContact CG1-CE 4.31Å; I414-M420 HydrophobicContact CG1-SD 3.95Å; I414-R433 HydrophobicContact CD1-CB 4.04Å; I414-R433 HydrophobicContact CG1-CB 4.4Å; I414-R433 HydrophobicContact CG2-CB 4.43Å; I414-E471 HydrophobicContact CG2-CG 4.43Å; I414-L473 HydrophobicContact CB-CD2 4.33Å
415	R	94.8	Very high	93.7	Very high	84 Å²	84	46.9 Å²	46.9	32%	0.317	26%	0.26	S	S	.	.			trans	-76.8	164.5	175.3	-71.6	-179.6	-171.2	-81.5	24.9	111.5	D417 G418 T419 E421	R415-D417 VanDerWaalsContact CB-OD1 3.22Å; R415-D417 WeakPolarHBondContact CB-OD1 3.26Å; R415-D417 PolarHBondContact O-N 2.65Å; R415-D417 VanDerWaalsContact O-N 3.17Å; R415-G418 PolarHBondContact O-N 2.83Å; R415-T419 WeakPolarHBondContact CB-O 3.29Å; R415-T419 WeakPolarHBondContact CD-OG1 3.46Å; R415-T419 PolarHBondContact N-O 2.76Å; R415-E421 VanDerWaalsContact CG-CD 3.43Å; R415-E421 HydrophobicContact CG-CG 3.89Å; R415-E421 WeakPolarHBondContact CG-OE1 3.2Å; R415-E421 IonicContact CZ-OE1 3.57Å; R415-E421 IonicContact CZ-OE2 2.71Å; R415-E421 IonicContact NE-OE2 2.82Å; R415-E421 VanDerWaalsContact NH1-CD 3.34Å; R415-E421 IonicContact NH1-OE1 3.99Å; R415-E421 PolarHBondContact NH1-OE1 2.91Å; R415-E421 IonicContact NH1-OE2 3.31Å; R415-E421 PolarHBondContact NH1-OE2 3.35Å; R415-E421 IonicContact NH2-OE2 3.71Å
416	G	91.8	Very high	93.5	Very high	15 Å²	15	49.8 Å²	49.8	16%	0.155	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22	178.4	0	0	0	0	0	114.6	W278 C280 G418	W278-G416 PolarHBondContact NE1-O 2.96Å; C280-G416 WeakPolarHBondContact CA-O 3.45Å; G416-G418 VanDerWaalsContact C-N 3.33Å
417	D	92.4	Very high	93.5	Very high	78 Å²	78	52 Å²	52	42%	0.417	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.6	175	66.2	-4.5	0	0	0	113.5	R415 T419	R415-D417 VanDerWaalsContact CB-OD1 3.22Å; R415-D417 WeakPolarHBondContact CB-OD1 3.26Å; R415-D417 PolarHBondContact O-N 2.65Å; R415-D417 VanDerWaalsContact O-N 3.17Å; D417-T419 WeakPolarHBondContact OD1-CB 3.13Å; D417-T419 PolarHBondContact OD1-N 2.86Å; D417-T419 PolarHBondContact OD1-OG1 2.88Å; D417-T419 PolarHBondContact OD2-OG1 2.82Å
418	G	94.9	Very high	93.5	Very high	4 Å²	4	46.7 Å²	46.7	4%	0.041	25%	0.245	C	C	.	.	S	Bend	trans	83.3	13.8	-180	0	0	0	0	0	114.7	C280 R415 G416 R433	C280-G418 VanDerWaalsContact SG-CA 3.57Å; R415-G418 PolarHBondContact O-N 2.83Å; G416-G418 VanDerWaalsContact C-N 3.33Å; G418-R433 PolarHBondContact O-N 3.22Å
419	T	96.5	Very high	93.5	Very high	20 Å²	20	50.2 Å²	50.2	12%	0.123	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-94.7	157.7	171.6	64.6	0	0	0	0	112.1	R415 D417 G430 V431 K432	R415-T419 WeakPolarHBondContact CB-O 3.29Å; R415-T419 WeakPolarHBondContact CD-OG1 3.46Å; R415-T419 PolarHBondContact N-O 2.76Å; D417-T419 WeakPolarHBondContact OD1-CB 3.13Å; D417-T419 PolarHBondContact OD1-N 2.86Å; D417-T419 PolarHBondContact OD1-OG1 2.88Å; D417-T419 PolarHBondContact OD2-OG1 2.82Å; T419-G430 WeakPolarHBondContact CG2-O 3.28Å; T419-V431 CarbonylContact C-O 3.55Å; T419-V431 VanDerWaalsContact CA-O 3.25Å; T419-V431 WeakPolarHBondContact CA-O 3.31Å; T419-K432 HydrophobicContact CG2-CG 4.37Å
420	M	97.1	Very high	93.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-76.9	143.7	-179.3	-52.3	-60.1	-68.5	0	0	111.7	E338 V413 I414 C424 L428 G430 V431 R433 A436	E338-M420 WeakPolarHBondContact O-CE 3.4Å; V413-M420 HydrophobicContact CB-CE 4.36Å; V413-M420 WeakPolarHBondContact O-CA 2.95Å; I414-M420 HydrophobicContact CG1-CE 4.31Å; I414-M420 HydrophobicContact CG1-SD 3.95Å; M420-C424 HydrophobicContact CB-CB 4.31Å; M420-L428 HydrophobicContact CB-CB 4.25Å; M420-L428 WeakPolarHBondContact CB-O 3.4Å; M420-L428 HydrophobicContact CG-CB 4.3Å; M420-G430 PolarHBondContact O-N 2.81Å; M420-G430 VanDerWaalsContact O-N 3.16Å; M420-V431 WeakPolarHBondContact CG-O 3.26Å; M420-V431 PolarHBondContact N-O 2.63Å; M420-R433 HydrophobicContact SD-CB 4.3Å; M420-A436 HydrophobicContact CE-CB 4.47Å; M420-A436 HydrophobicContact CG-CB 3.59Å; M420-A436 HydrophobicContact SD-CB 3.71Å
421	E	95.1	Very high	93.6	Very high	46 Å²	46	45.2 Å²	45.2	22%	0.215	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-70.1	154.4	176.2	-76.8	-74.2	174.1	0	0	112.4	V413 R415 L423 C424	V413-E421 PolarHBondContact O-N 2.93Å; R415-E421 VanDerWaalsContact CG-CD 3.43Å; R415-E421 HydrophobicContact CG-CG 3.89Å; R415-E421 WeakPolarHBondContact CG-OE1 3.2Å; R415-E421 IonicContact CZ-OE1 3.57Å; R415-E421 IonicContact CZ-OE2 2.71Å; R415-E421 IonicContact NE-OE2 2.82Å; R415-E421 VanDerWaalsContact NH1-CD 3.34Å; R415-E421 IonicContact NH1-OE1 3.99Å; R415-E421 PolarHBondContact NH1-OE1 2.91Å; R415-E421 IonicContact NH1-OE2 3.31Å; R415-E421 PolarHBondContact NH1-OE2 3.35Å; R415-E421 IonicContact NH2-OE2 3.71Å; E421-L423 HydrophobicContact CB-CD2 4.1Å; E421-L423 HydrophobicContact CB-CG 4.16Å; E421-L423 PolarHBondContact O-N 3.44Å; E421-L423 VanDerWaalsContact O-N 3.11Å; E421-C424 WeakPolarHBondContact O-CB 3.35Å; E421-C424 PolarHBondContact O-N 3.36Å; E421-C424 PolarHBondContact O-SG 3.22Å
422	P	91.3	Very high	93.8	Very high	52 Å²	52	47.4 Å²	47.4	34%	0.338	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60.8	-25.2	178.9	-21	33.8	0	0	0	112.7	C424 G425 E429	P422-C424 PolarHBondContact O-N 3.1Å; P422-C424 VanDerWaalsContact O-N 3.1Å; P422-G425 PolarHBondContact O-N 3.24Å; P422-E429 HydrophobicContact CB-CG 4.13Å; P422-E429 HydrophobicContact CG-CG 4.1Å; P422-E429 WeakPolarHBondContact CG-OE1 3.39Å
423	L	89.8	Confident	93.8	Very high	77 Å²	77	45.9 Å²	45.9	40%	0.403	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-62.2	-17.5	176.4	88.8	89.4	0	0	0	113	S412 V413 E421 G425	S412-L423 WeakPolarHBondContact O-CD2 3.47Å; V413-L423 HydrophobicContact CG1-CD1 3.61Å; V413-L423 HydrophobicContact CG1-CD2 4.41Å; V413-L423 HydrophobicContact CG1-CG 4.15Å; E421-L423 HydrophobicContact CB-CD2 4.1Å; E421-L423 HydrophobicContact CB-CG 4.16Å; E421-L423 PolarHBondContact O-N 3.44Å; E421-L423 VanDerWaalsContact O-N 3.11Å; L423-G425 PolarHBondContact O-N 3.45Å
424	C	90.4	Very high	93.9	Very high	6 Å²	6	46.5 Å²	46.5	4%	0.041	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-72.7	-10.1	173	-60.4	0	0	0	0	113.4	L341 V413 M420 E421 P422 W427 L428	L341-C424 HydrophobicContact CD1-CB 3.52Å; L341-C424 WeakPolarHBondContact CD1-O 3.33Å; V413-C424 PolarHBondContact O-SG 3.26Å; M420-C424 HydrophobicContact CB-CB 4.31Å; E421-C424 WeakPolarHBondContact O-CB 3.35Å; E421-C424 PolarHBondContact O-N 3.36Å; E421-C424 PolarHBondContact O-SG 3.22Å; P422-C424 PolarHBondContact O-N 3.1Å; P422-C424 VanDerWaalsContact O-N 3.1Å; C424-W427 PolarHBondContact O-NE1 2.84Å; C424-L428 HydrophobicContact CB-CB 3.93Å; C424-L428 HydrophobicContact CB-CD1 4.23Å
425	G	89.1	Confident	93.8	Very high	27 Å²	27	50.1 Å²	50.1	28%	0.278	27%	0.265	S	S	.	.			trans	93	156.3	-174.2	0	0	0	0	0	112.8	P422 L423 W427 L428 E429	P422-G425 PolarHBondContact O-N 3.24Å; L423-G425 PolarHBondContact O-N 3.45Å; G425-W427 PolarHBondContact O-N 2.8Å; G425-L428 PolarHBondContact O-N 2.82Å; G425-E429 PolarHBondContact O-N 2.96Å; G425-E429 VanDerWaalsContact O-N 3.11Å
426	Q	89.5	Confident	93.9	Very high	182 Å²	182	46.1 Å²	46.1	85%	0.85	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.8	-173.6	-69.6	179.5	-16.3	0	0	114.5	L428	Q426-L428 VanDerWaalsContact C-N 3.29Å; Q426-L428 PolarHBondContact O-N 2.98Å
427	W	94.3	Very high	94.2	Very high	106 Å²	106	46.4 Å²	46.4	40%	0.402	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.1	180	69.7	-74	0	0	0	113.8	L341 F367 C424 G425 L439 V440 A443	L341-W427 HydrophobicContact CD1-CZ2 4.44Å; F367-W427 HydrophobicContact CD1-CZ2 4.4Å; C424-W427 PolarHBondContact O-NE1 2.84Å; G425-W427 PolarHBondContact O-N 2.8Å; W427-L439 HydrophobicContact CE3-CB 4.41Å; W427-L439 HydrophobicContact CZ3-CB 3.78Å; W427-V440 HydrophobicContact CH2-CB 4.45Å; W427-V440 HydrophobicContact CH2-CG2 3.72Å; W427-V440 HydrophobicContact CZ2-CG2 4.47Å; W427-A443 HydrophobicContact CH2-CB 4.29Å; W427-A443 HydrophobicContact CZ3-CB 4.44Å
428	L	94.7	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-15.7	176.2	-75.6	178.4	0	0	0	113.9	L341 M420 C424 G425 Q426 G430 V431 A436 L439 V440	L341-L428 HydrophobicContact CD1-CD1 3.44Å; L341-L428 VanDerWaalsContact CD1-CD1 3.44Å; M420-L428 HydrophobicContact CB-CB 4.25Å; M420-L428 WeakPolarHBondContact CB-O 3.4Å; M420-L428 HydrophobicContact CG-CB 4.3Å; C424-L428 HydrophobicContact CB-CB 3.93Å; C424-L428 HydrophobicContact CB-CD1 4.23Å; G425-L428 PolarHBondContact O-N 2.82Å; Q426-L428 VanDerWaalsContact C-N 3.29Å; Q426-L428 PolarHBondContact O-N 2.98Å; L428-G430 PolarHBondContact O-N 3.34Å; L428-G430 VanDerWaalsContact O-N 3.17Å; L428-V431 HydrophobicContact CD2-CB 4.42Å; L428-V431 WeakPolarHBondContact O-CB 3.45Å; L428-V431 WeakPolarHBondContact O-CG2 3.21Å; L428-V431 PolarHBondContact O-N 2.88Å; L428-A436 HydrophobicContact CD2-CB 3.77Å; L428-L439 HydrophobicContact CD2-CB 4.09Å; L428-L439 HydrophobicContact CD2-CD1 3.87Å; L428-V440 HydrophobicContact CD1-CG2 3.89Å
429	E	94.6	Very high	94.4	Very high	98 Å²	98	50.9 Å²	50.9	46%	0.458	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	123.3	-179.1	-175.3	175.2	-177.4	0	0	111.6	P422 G425 V431	P422-E429 HydrophobicContact CB-CG 4.13Å; P422-E429 HydrophobicContact CG-CG 4.1Å; P422-E429 WeakPolarHBondContact CG-OE1 3.39Å; G425-E429 PolarHBondContact O-N 2.96Å; G425-E429 VanDerWaalsContact O-N 3.11Å; E429-V431 PolarHBondContact O-N 2.92Å
430	G	94.1	Very high	94.4	Very high	45 Å²	45	49.9 Å²	49.9	46%	0.464	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-4.8	-178.9	0	0	0	0	0	115.5	T419 M420 L428	T419-G430 WeakPolarHBondContact CG2-O 3.28Å; M420-G430 PolarHBondContact O-N 2.81Å; M420-G430 VanDerWaalsContact O-N 3.16Å; L428-G430 PolarHBondContact O-N 3.34Å; L428-G430 VanDerWaalsContact O-N 3.17Å
431	V	96.4	Very high	94.4	Very high	36 Å²	36	50.4 Å²	50.4	22%	0.218	26%	0.263	C	S	.	.			trans	-70.9	141.7	173.7	-178.8	0	0	0	0	109.6	T419 M420 L428 E429 D435 A436 L439	T419-V431 CarbonylContact C-O 3.55Å; T419-V431 VanDerWaalsContact CA-O 3.25Å; T419-V431 WeakPolarHBondContact CA-O 3.31Å; M420-V431 WeakPolarHBondContact CG-O 3.26Å; M420-V431 PolarHBondContact N-O 2.63Å; L428-V431 HydrophobicContact CD2-CB 4.42Å; L428-V431 WeakPolarHBondContact O-CB 3.45Å; L428-V431 WeakPolarHBondContact O-CG2 3.21Å; L428-V431 PolarHBondContact O-N 2.88Å; E429-V431 PolarHBondContact O-N 2.92Å; V431-D435 HydrophobicContact CG1-CB 3.96Å; V431-A436 HydrophobicContact CG1-CB 4.15Å; V431-L439 HydrophobicContact CG1-CD1 4.02Å; V431-L439 HydrophobicContact CG2-CD1 4.46Å
432	K	96.5	Very high	94.5	Very high	83 Å²	83	51.6 Å²	51.6	36%	0.361	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-70.5	142.3	178.2	-63.9	178.2	179.8	165.9	0	111.4	G306 Y307 T419 F434 D435 A436	G306-K432 PolarHBondContact O-NZ 3.08Å; Y307-K432 HydrophobicContact CD1-CD 4.36Å; Y307-K432 HydrophobicContact CE1-CB 3.74Å; Y307-K432 HydrophobicContact CE1-CD 3.98Å; Y307-K432 WeakPolarHBondContact OH-CB 3.27Å; T419-K432 HydrophobicContact CG2-CG 4.37Å; K432-F434 VanDerWaalsContact C-N 3.29Å; K432-F434 PolarHBondContact O-N 3.5Å; K432-F434 VanDerWaalsContact O-N 3.09Å; K432-D435 PolarHBondContact O-N 3Å; K432-A436 WeakPolarHBondContact O-CB 3.41Å; K432-A436 PolarHBondContact O-N 3.04Å
433	R	95.4	Very high	94.8	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.011	26%	0.261	C	S	.	.	H	α-helix	trans	-50.9	-37.8	-172.5	63.8	178.9	174.1	165.5	-3.8	115.3	Y307 E338 I414 G418 M420 R437 D468 I469 E471	Y307-R433 WeakPolarHBondContact OH-CG 3.32Å; Y307-R433 PolarHBondContact OH-N 3.23Å; E338-R433 WeakPolarHBondContact CG-O 3.47Å; I414-R433 HydrophobicContact CD1-CB 4.04Å; I414-R433 HydrophobicContact CG1-CB 4.4Å; I414-R433 HydrophobicContact CG2-CB 4.43Å; G418-R433 PolarHBondContact O-N 3.22Å; M420-R433 HydrophobicContact SD-CB 4.3Å; R433-R437 PolarHBondContact O-N 2.99Å; R433-D468 IonicContact NH2-OD1 3.73Å; R433-D468 PolarHBondContact NH2-OD1 2.88Å; R433-D468 IonicContact NH2-OD2 3.66Å; R433-I469 PolarHBondContact NH1-O 2.96Å; R433-I469 PolarHBondContact NH2-O 2.73Å; R433-E471 WeakPolarHBondContact CD-OE2 3.29Å; R433-E471 IonicContact CZ-OE2 3.83Å; R433-E471 IonicContact NE-OE2 2.68Å; R433-E471 VanDerWaalsContact NH1-CB 3.35Å; R433-E471 IonicContact NH1-OE2 2.91Å; R433-E471 PolarHBondContact NH1-OE2 3.38Å
434	F	96.3	Very high	95.1	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-83.8	-24.8	-179.2	-59.1	-48.6	0	0	0	113.3	V304 Y307 V311 F313 K432 R437 I469	V304-F434 HydrophobicContact CG1-CD2 4.24Å; V304-F434 HydrophobicContact CG1-CE2 3.83Å; V304-F434 HydrophobicContact CG2-CD2 4.41Å; V304-F434 HydrophobicContact CG2-CE2 4.2Å; Y307-F434 HydrophobicContact CD2-CD2 4.35Å; Y307-F434 HydrophobicContact CE1-CB 3.73Å; Y307-F434 HydrophobicContact CE1-CD2 4.12Å; Y307-F434 HydrophobicContact CE1-CG 4.41Å; Y307-F434 AromaticContact CE2-CD2 3.6Å; Y307-F434 HydrophobicContact CE2-CD2 3.6Å; Y307-F434 HydrophobicContact CE2-CE2 4.23Å; Y307-F434 AromaticContact CZ-CD2 3.43Å; Y307-F434 VanDerWaalsContact CZ-CD2 3.43Å; Y307-F434 VanDerWaalsContact OH-CD2 3.3Å; Y307-F434 WeakPolarHBondContact OH-CD2 3.37Å; Y307-F434 PolarHBondContact OH-N 3.12Å; Y307-F434 VanDerWaalsContact OH-N 3.1Å; V311-F434 HydrophobicContact CG1-CB 3.72Å; V311-F434 HydrophobicContact CG1-CD1 4.05Å; V311-F434 HydrophobicContact CG1-CD2 4.13Å; V311-F434 HydrophobicContact CG1-CG 3.71Å; V311-F434 HydrophobicContact CG2-CB 3.91Å; V311-F434 HydrophobicContact CG2-CD2 4Å; V311-F434 HydrophobicContact CG2-CG 4.16Å; F313-F434 AromaticContact CE1-CE1 3.91Å; F313-F434 HydrophobicContact CE1-CE1 3.91Å; F313-F434 HydrophobicContact CE1-CZ 4.08Å; F313-F434 HydrophobicContact CZ-CE1 4.06Å; F313-F434 HydrophobicContact CZ-CE2 4.24Å; F313-F434 AromaticContact CZ-CZ 3.92Å; F313-F434 HydrophobicContact CZ-CZ 3.92Å; K432-F434 VanDerWaalsContact C-N 3.29Å; K432-F434 PolarHBondContact O-N 3.5Å; K432-F434 VanDerWaalsContact O-N 3.09Å; F434-R437 VanDerWaalsContact CD1-NH2 3.33Å; F434-R437 WeakPolarHBondContact O-CB 3.41Å; F434-I469 HydrophobicContact CZ-CB 4.11Å; F434-I469 HydrophobicContact CZ-CG1 4.38Å; F434-I469 HydrophobicContact CZ-CG2 4.46Å
435	D	96	Very high	95.5	Very high	78 Å²	78	49.7 Å²	49.7	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-74.9	-39.3	170.3	-60.3	-33.2	0	0	0	109.8	V431 K432 R437 Q438 L439	V431-D435 HydrophobicContact CG1-CB 3.96Å; K432-D435 PolarHBondContact O-N 3Å; D435-R437 PolarHBondContact O-N 3.15Å; D435-Q438 PolarHBondContact O-N 2.87Å; D435-Q438 VanDerWaalsContact O-N 3.08Å; D435-L439 PolarHBondContact O-N 2.97Å
436	A	96.7	Very high	95.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-35.5	173.4	0	0	0	0	0	112.2	E338 M420 L428 V431 K432 Q438 L439 V440	E338-A436 HydrophobicContact CB-CB 4.38Å; M420-A436 HydrophobicContact CE-CB 4.47Å; M420-A436 HydrophobicContact CG-CB 3.59Å; M420-A436 HydrophobicContact SD-CB 3.71Å; L428-A436 HydrophobicContact CD2-CB 3.77Å; V431-A436 HydrophobicContact CG1-CB 4.15Å; K432-A436 WeakPolarHBondContact O-CB 3.41Å; K432-A436 PolarHBondContact O-N 3.04Å; A436-Q438 VanDerWaalsContact C-N 3.31Å; A436-Q438 PolarHBondContact O-N 3.37Å; A436-L439 PolarHBondContact O-N 2.75Å; A436-V440 WeakPolarHBondContact O-CB 3.12Å; A436-V440 VanDerWaalsContact O-CG2 3.28Å; A436-V440 WeakPolarHBondContact O-CG2 3.41Å; A436-V440 PolarHBondContact O-N 3.1Å
437	R	96.7	Very high	96.1	Very high	20 Å²	20	52.6 Å²	52.6	8%	0.075	27%	0.267	C	S	.	.	H	α-helix	trans	-51.8	-49.7	173.4	-177	-179.1	-66.8	160.3	2	112	E312 P337 E338 R433 F434 D435 V441	E312-R437 PolarHBondContact O-NH1 2.73Å; P337-R437 HydrophobicContact CG-CG 3.73Å; E338-R437 HydrophobicContact CB-CB 4.19Å; E338-R437 IonicContact OE1-CZ 3.41Å; E338-R437 IonicContact OE1-NE 2.76Å; E338-R437 PolarHBondContact OE1-NE 3.12Å; E338-R437 IonicContact OE1-NH2 3.94Å; E338-R437 PolarHBondContact OE1-NH2 3.04Å; E338-R437 WeakPolarHBondContact OE2-CB 3.48Å; E338-R437 VanDerWaalsContact OE2-CG 3.27Å; E338-R437 WeakPolarHBondContact OE2-CG 2.99Å; E338-R437 IonicContact OE2-CZ 3.55Å; E338-R437 IonicContact OE2-NE 3.87Å; E338-R437 PolarHBondContact OE2-NE 2.77Å; E338-R437 IonicContact OE2-NH2 3.46Å; R433-R437 PolarHBondContact O-N 2.99Å; F434-R437 VanDerWaalsContact CD1-NH2 3.33Å; F434-R437 WeakPolarHBondContact O-CB 3.41Å; D435-R437 PolarHBondContact O-N 3.15Å; R437-V441 VanDerWaalsContact O-CG2 3.3Å; R437-V441 WeakPolarHBondContact O-CG2 3.3Å; R437-V441 PolarHBondContact O-N 3.08Å
438	Q	94.8	Very high	96.3	Very high	107 Å²	107	55.8 Å²	55.8	50%	0.5	28%	0.284	S	S	.	.	H	α-helix	trans	-69	-40.2	-177.4	-171.5	59	55.9	0	0	111.4	D435 A436 V441 N442	D435-Q438 PolarHBondContact O-N 2.87Å; D435-Q438 VanDerWaalsContact O-N 3.08Å; A436-Q438 VanDerWaalsContact C-N 3.31Å; A436-Q438 PolarHBondContact O-N 3.37Å; Q438-V441 PolarHBondContact O-N 2.87Å; Q438-N442 PolarHBondContact NE2-OD1 3.15Å; Q438-N442 WeakPolarHBondContact O-CB 3.33Å; Q438-N442 PolarHBondContact O-N 2.98Å; Q438-N442 PolarHBondContact O-OD1 2.8Å
439	L	96.8	Very high	96.4	Very high	69 Å²	69	56.8 Å²	56.8	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-63.7	-42.9	177.6	-62.4	177	0	0	0	111.8	W427 L428 V431 D435 A436 N442 A443	W427-L439 HydrophobicContact CE3-CB 4.41Å; W427-L439 HydrophobicContact CZ3-CB 3.78Å; L428-L439 HydrophobicContact CD2-CB 4.09Å; L428-L439 HydrophobicContact CD2-CD1 3.87Å; V431-L439 HydrophobicContact CG1-CD1 4.02Å; V431-L439 HydrophobicContact CG2-CD1 4.46Å; D435-L439 PolarHBondContact O-N 2.97Å; A436-L439 PolarHBondContact O-N 2.75Å; L439-N442 PolarHBondContact O-N 2.72Å; L439-A443 WeakPolarHBondContact O-CB 3.46Å; L439-A443 PolarHBondContact O-N 3.46Å
440	V	97.1	Very high	96.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-45	175.8	170.8	0	0	0	0	111.3	P337 M340 F367 W427 L428 A436 N442 A443 L444	P337-V440 HydrophobicContact CB-CG1 4.39Å; M340-V440 HydrophobicContact CG-CG1 4.15Å; M340-V440 HydrophobicContact SD-CG1 3.62Å; F367-V440 HydrophobicContact CE2-CG1 4.11Å; W427-V440 HydrophobicContact CH2-CB 4.45Å; W427-V440 HydrophobicContact CH2-CG2 3.72Å; W427-V440 HydrophobicContact CZ2-CG2 4.47Å; L428-V440 HydrophobicContact CD1-CG2 3.89Å; A436-V440 WeakPolarHBondContact O-CB 3.12Å; A436-V440 VanDerWaalsContact O-CG2 3.28Å; A436-V440 WeakPolarHBondContact O-CG2 3.41Å; A436-V440 PolarHBondContact O-N 3.1Å; V440-N442 PolarHBondContact O-N 3.09Å; V440-A443 PolarHBondContact O-N 2.92Å; V440-L444 HydrophobicContact CG1-CD1 4.17Å; V440-L444 WeakPolarHBondContact O-CG 3.5Å; V440-L444 PolarHBondContact O-N 3.49Å
441	V	97	Very high	96.6	Very high	11 Å²	11	57 Å²	57	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-45	177.2	170.4	0	0	0	0	111.2	F317 P337 R437 Q438 A443 L444 V445 F450	F317-V441 HydrophobicContact CD1-CG2 3.94Å; F317-V441 HydrophobicContact CE1-CG2 4.09Å; P337-V441 HydrophobicContact CB-CG2 4.24Å; P337-V441 HydrophobicContact CG-CG2 3.73Å; R437-V441 VanDerWaalsContact O-CG2 3.3Å; R437-V441 WeakPolarHBondContact O-CG2 3.3Å; R437-V441 PolarHBondContact O-N 3.08Å; Q438-V441 PolarHBondContact O-N 2.87Å; V441-A443 VanDerWaalsContact C-N 3.34Å; V441-A443 PolarHBondContact O-N 3.26Å; V441-L444 PolarHBondContact O-N 3.04Å; V441-V445 WeakPolarHBondContact O-CG2 3.45Å; V441-V445 PolarHBondContact O-N 2.8Å; V441-F450 HydrophobicContact CG1-CD2 4.4Å; V441-F450 HydrophobicContact CG1-CE2 4.04Å; V441-F450 HydrophobicContact CG1-CZ 4.17Å
442	N	97.3	Very high	96.6	Very high	71 Å²	71	56.5 Å²	56.5	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-44.9	177.3	-68	-8.4	0	0	0	111.3	Q438 L439 V440 L444 V445 E446	Q438-N442 PolarHBondContact NE2-OD1 3.15Å; Q438-N442 WeakPolarHBondContact O-CB 3.33Å; Q438-N442 PolarHBondContact O-N 2.98Å; Q438-N442 PolarHBondContact O-OD1 2.8Å; L439-N442 PolarHBondContact O-N 2.72Å; V440-N442 PolarHBondContact O-N 3.09Å; N442-L444 VanDerWaalsContact C-N 3.33Å; N442-L444 PolarHBondContact O-N 2.81Å; N442-V445 WeakPolarHBondContact O-CB 3.25Å; N442-V445 PolarHBondContact O-N 3.38Å; N442-V445 VanDerWaalsContact O-N 3.12Å; N442-E446 WeakPolarHBondContact O-CG 3.33Å; N442-E446 PolarHBondContact O-N 3.44Å
443	A	96.9	Very high	96.6	Very high	16 Å²	16	58.1 Å²	58.1	13%	0.132	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-33.3	178.8	0	0	0	0	0	112.8	F367 W427 L439 V440 V441 K447	F367-A443 HydrophobicContact CE1-CB 3.58Å; F367-A443 HydrophobicContact CZ-CB 3.81Å; W427-A443 HydrophobicContact CH2-CB 4.29Å; W427-A443 HydrophobicContact CZ3-CB 4.44Å; L439-A443 WeakPolarHBondContact O-CB 3.46Å; L439-A443 PolarHBondContact O-N 3.46Å; V440-A443 PolarHBondContact O-N 2.92Å; V441-A443 VanDerWaalsContact C-N 3.34Å; V441-A443 PolarHBondContact O-N 3.26Å; A443-K447 WeakPolarHBondContact O-CB 3.3Å; A443-K447 WeakPolarHBondContact O-CG 3.49Å; A443-K447 PolarHBondContact O-N 2.84Å; A443-K447 VanDerWaalsContact O-N 3.08Å
444	L	97.3	Very high	96.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-36.5	172	-74.6	169.9	0	0	0	112.4	F319 M340 P366 F367 V440 V441 N442 K447 K448 L449 F450	F319-L444 HydrophobicContact CB-CD1 3.78Å; F319-L444 HydrophobicContact CB-CD2 4.36Å; F319-L444 HydrophobicContact CD1-CD1 4.1Å; F319-L444 HydrophobicContact CD2-CD1 4.3Å; F319-L444 HydrophobicContact CD2-CD2 4.25Å; F319-L444 HydrophobicContact CG-CD1 3.81Å; F319-L444 HydrophobicContact CG-CD2 4.46Å; M340-L444 HydrophobicContact CE-CD2 4.15Å; M340-L444 HydrophobicContact SD-CD1 3.92Å; M340-L444 HydrophobicContact SD-CD2 4.23Å; M340-L444 HydrophobicContact SD-CG 4.36Å; P366-L444 HydrophobicContact CB-CD2 4.38Å; P366-L444 HydrophobicContact CG-CD2 4.37Å; F367-L444 HydrophobicContact CE2-CD2 3.82Å; F367-L444 HydrophobicContact CE2-CG 4.01Å; F367-L444 HydrophobicContact CZ-CD2 3.8Å; F367-L444 HydrophobicContact CZ-CG 3.81Å; V440-L444 HydrophobicContact CG1-CD1 4.17Å; V440-L444 WeakPolarHBondContact O-CG 3.5Å; V440-L444 PolarHBondContact O-N 3.49Å; V441-L444 PolarHBondContact O-N 3.04Å; N442-L444 VanDerWaalsContact C-N 3.33Å; N442-L444 PolarHBondContact O-N 2.81Å; L444-K447 PolarHBondContact O-N 2.79Å; L444-K448 PolarHBondContact O-N 2.93Å; L444-L449 HydrophobicContact CD2-CB 4.16Å; L444-L449 PolarHBondContact O-N 2.83Å; L444-F450 HydrophobicContact CB-CB 4.14Å; L444-F450 PolarHBondContact O-N 3.5Å
445	V	97.6	Very high	96.5	Very high	79 Å²	79	67.6 Å²	67.6	48%	0.479	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-46.5	174.8	171.4	0	0	0	0	110.4	V441 N442 K447 K448 F450	V441-V445 WeakPolarHBondContact O-CG2 3.45Å; V441-V445 PolarHBondContact O-N 2.8Å; N442-V445 WeakPolarHBondContact O-CB 3.25Å; N442-V445 PolarHBondContact O-N 3.38Å; N442-V445 VanDerWaalsContact O-N 3.12Å; V445-K447 VanDerWaalsContact C-N 3.27Å; V445-K447 PolarHBondContact O-N 2.94Å; V445-K448 WeakPolarHBondContact O-CA 3.3Å; V445-K448 PolarHBondContact O-N 3.22Å; V445-F450 HydrophobicContact CB-CB 4.49Å; V445-F450 HydrophobicContact CG2-CB 3.69Å; V445-F450 HydrophobicContact CG2-CD1 3.64Å; V445-F450 HydrophobicContact CG2-CE1 4.46Å; V445-F450 HydrophobicContact CG2-CG 3.8Å
446	E	97	Very high	96.3	Very high	161 Å²	161	65.6 Å²	65.6	75%	0.752	32%	0.317	S	S	*	.	H	α-helix	trans	-59.2	-38.9	176.8	-71.2	173.7	-175.4	0	0	112.2	N442 K448	N442-E446 WeakPolarHBondContact O-CG 3.33Å; N442-E446 PolarHBondContact O-N 3.44Å; E446-K448 PolarHBondContact O-N 3.11Å
447	K	95.6	Very high	96.1	Very high	109 Å²	109	69.9 Å²	69.9	47%	0.474	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.1	174.4	-72.8	175	176.8	-84.8	0	114.2	P366 F367 A443 L444 V445 L449	P366-K447 HydrophobicContact CB-CD 4.39Å; P366-K447 VanDerWaalsContact O-CE 3.3Å; P366-K447 WeakPolarHBondContact O-CE 3.27Å; P366-K447 PolarHBondContact O-NZ 3.08Å; F367-K447 HydrophobicContact CD1-CD 4.26Å; F367-K447 HydrophobicContact CE1-CD 3.77Å; F367-K447 HydrophobicContact CZ-CD 4.44Å; A443-K447 WeakPolarHBondContact O-CB 3.3Å; A443-K447 WeakPolarHBondContact O-CG 3.49Å; A443-K447 PolarHBondContact O-N 2.84Å; A443-K447 VanDerWaalsContact O-N 3.08Å; L444-K447 PolarHBondContact O-N 2.79Å; V445-K447 VanDerWaalsContact C-N 3.27Å; V445-K447 PolarHBondContact O-N 2.94Å; K447-L449 HydrophobicContact CB-CD1 4.16Å; K447-L449 HydrophobicContact CB-CG 4.26Å; K447-L449 PolarHBondContact O-N 3.39Å
448	K	96.8	Very high	95.9	Very high	172 Å²	172	70.1 Å²	70.1	75%	0.748	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	27.6	-175.4	-54.8	179.3	-179.7	177.3	0	114.1	L444 V445 E446 R451	L444-K448 PolarHBondContact O-N 2.93Å; V445-K448 WeakPolarHBondContact O-CA 3.3Å; V445-K448 PolarHBondContact O-N 3.22Å; E446-K448 PolarHBondContact O-N 3.11Å; K448-R451 PolarHBondContact O-NH1 3.43Å; K448-R451 PolarHBondContact O-NH2 3.32Å
449	L	96.7	Very high	95.7	Very high	22 Å²	22	68.6 Å²	68.6	12%	0.115	34%	0.344	C	S	.	.			trans	-102.2	-8.4	179	-67.1	174	0	0	0	113	F319 A320 P322 P366 L444 K447 R451	F319-L449 CarbonylContact C-O 3.53Å; F319-L449 VanDerWaalsContact CA-O 3.25Å; F319-L449 WeakPolarHBondContact CA-O 3.32Å; A320-L449 HydrophobicContact CB-CD2 4.5Å; A320-L449 PolarHBondContact N-O 3.5Å; P322-L449 HydrophobicContact CG-CD1 4.36Å; P322-L449 HydrophobicContact CG-CD2 3.96Å; P366-L449 HydrophobicContact CB-CD1 3.74Å; P366-L449 HydrophobicContact CG-CD1 3.72Å; L444-L449 HydrophobicContact CD2-CB 4.16Å; L444-L449 PolarHBondContact O-N 2.83Å; K447-L449 HydrophobicContact CB-CD1 4.16Å; K447-L449 HydrophobicContact CB-CG 4.26Å; K447-L449 PolarHBondContact O-N 3.39Å; L449-R451 VanDerWaalsContact C-NH1 3.31Å; L449-R451 PolarHBondContact O-NH1 2.94Å
450	F	97.8	Very high	95.5	Very high	48 Å²	48	65.9 Å²	65.9	21%	0.211	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.6	173.3	-169.2	-116.3	0	0	0	111.2	F317 T318 V441 L444 V445 G452 K453	F317-F450 HydrophobicContact CB-CE2 4.27Å; F317-F450 AromaticContact CD1-CE2 3.99Å; F317-F450 HydrophobicContact CD1-CE2 3.99Å; F317-F450 HydrophobicContact CD1-CZ 4.12Å; T318-F450 WeakPolarHBondContact O-CD2 3.4Å; V441-F450 HydrophobicContact CG1-CD2 4.4Å; V441-F450 HydrophobicContact CG1-CE2 4.04Å; V441-F450 HydrophobicContact CG1-CZ 4.17Å; L444-F450 HydrophobicContact CB-CB 4.14Å; L444-F450 PolarHBondContact O-N 3.5Å; V445-F450 HydrophobicContact CB-CB 4.49Å; V445-F450 HydrophobicContact CG2-CB 3.69Å; V445-F450 HydrophobicContact CG2-CD1 3.64Å; V445-F450 HydrophobicContact CG2-CE1 4.46Å; V445-F450 HydrophobicContact CG2-CG 3.8Å; F450-G452 VanDerWaalsContact CE1-CA 3.44Å; F450-G452 WeakPolarHBondContact CE2-O 3.41Å; F450-G452 VanDerWaalsContact CZ-O 3.27Å; F450-G452 WeakPolarHBondContact CZ-O 3.48Å; F450-K453 HydrophobicContact CZ-CB 4.2Å
451	R	97	Very high	95.3	Very high	99 Å²	99	68 Å²	68	37%	0.374	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	7.2	-178.3	-60.1	-69.2	169.3	-92.9	2.5	113	T318 A320 E329 K448 L449	T318-R451 HydrophobicContact CG2-CB 3.79Å; T318-R451 HydrophobicContact CG2-CG 4.48Å; T318-R451 WeakPolarHBondContact O-CA 3.38Å; T318-R451 PolarHBondContact O-N 3.26Å; A320-R451 HydrophobicContact CB-CG 4.33Å; E329-R451 IonicContact OE1-CZ 3.68Å; E329-R451 VanDerWaalsContact OE1-CZ 3.23Å; E329-R451 IonicContact OE1-NE 3.71Å; E329-R451 PolarHBondContact OE1-NE 3.24Å; E329-R451 IonicContact OE1-NH2 3.31Å; E329-R451 PolarHBondContact OE1-NH2 3.14Å; E329-R451 IonicContact OE2-CZ 2.68Å; E329-R451 IonicContact OE2-NE 3.07Å; E329-R451 IonicContact OE2-NH2 3.53Å; E329-R451 PolarHBondContact OE2-NH2 2.99Å; K448-R451 PolarHBondContact O-NH1 3.43Å; K448-R451 PolarHBondContact O-NH2 3.32Å; L449-R451 VanDerWaalsContact C-NH1 3.31Å; L449-R451 PolarHBondContact O-NH1 2.94Å
452	G	95.8	Very high	95	Very high	25 Å²	25	68.6 Å²	68.6	26%	0.258	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.2	179.8	175.4	0	0	0	0	0	113.3	T318 F450	T318-G452 PolarHBondContact N-O 3.34Å; F450-G452 VanDerWaalsContact CE1-CA 3.44Å; F450-G452 WeakPolarHBondContact CE2-O 3.41Å; F450-G452 VanDerWaalsContact CZ-O 3.27Å; F450-G452 WeakPolarHBondContact CZ-O 3.48Å
453	K	95.3	Very high	94.5	Very high	118 Å²	118	65.2 Å²	65.2	51%	0.513	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.2	174.2	69.9	-174	-158.9	157.8	0	110	E312 T315 M316 F317 F450	E312-K453 IonicContact OE1-NZ 3.97Å; E312-K453 PolarHBondContact OE1-NZ 2.87Å; E312-K453 IonicContact OE2-NZ 3.35Å; T315-K453 HydrophobicContact CG2-CB 3.77Å; T315-K453 HydrophobicContact CG2-CD 3.84Å; T315-K453 HydrophobicContact CG2-CG 4.07Å; M316-K453 CarbonylContact O-C 3.59Å; M316-K453 VanDerWaalsContact O-CA 3.26Å; M316-K453 WeakPolarHBondContact O-CA 3.31Å; F317-K453 HydrophobicContact CD1-CB 3.92Å; F317-K453 HydrophobicContact CD1-CD 4.46Å; F317-K453 HydrophobicContact CE1-CB 4.2Å; F317-K453 HydrophobicContact CE1-CD 3.94Å; F450-K453 HydrophobicContact CZ-CB 4.2Å
454	K	94.6	Very high	93.5	Very high	94 Å²	94	66.2 Å²	66.2	41%	0.409	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.9	177	64.8	-177.4	179.9	-177.4	0	111	M316	M316-K454 HydrophobicContact CB-CG 4.09Å; M316-K454 PolarHBondContact N-O 2.91Å; M316-K454 PolarHBondContact O-N 3.3Å; M316-K454 WeakPolarHBondContact SD-CE 3.33Å
455	N	95.4	Very high	92.6	Very high	121 Å²	121	70.6 Å²	70.6	65%	0.647	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	137.6	173.4	-65.4	-0.4	0	0	0	109.2	P299	P299-N455 VanDerWaalsContact CD-CG 3.45Å; P299-N455 VanDerWaalsContact CD-OD1 3.32Å; P299-N455 WeakPolarHBondContact CD-OD1 3.41Å; P299-N455 VanDerWaalsContact CG-OD1 3.23Å; P299-N455 WeakPolarHBondContact CG-OD1 3.48Å
456	H	92.8	Very high	91.8	Very high	36 Å²	36	68.2 Å²	68.2	17%	0.167	34%	0.337	C	S	.	.			trans	-141.7	130.5	-179.2	-175.4	55.8	0	0	0	111.3	G314 M316 M384	G314-H456 CarbonylContact C-O 3.44Å; G314-H456 VanDerWaalsContact C-O 3.27Å; G314-H456 VanDerWaalsContact CA-O 3.23Å; G314-H456 WeakPolarHBondContact CA-O 3.3Å; G314-H456 PolarHBondContact O-N 3.43Å; M316-H456 HydrophobicContact CB-CB 3.62Å; M316-H456 HydrophobicContact CE-CB 4.42Å; M316-H456 WeakPolarHBondContact CE-CE1 3.27Å; M316-H456 WeakPolarHBondContact CE-ND1 3.14Å; M316-H456 WeakPolarHBondContact CE-NE2 3.48Å; M384-H456 WeakPolarHBondContact CE-CE1 3.49Å
457	T	92.3	Very high	91.1	Very high	89 Å²	89	62.2 Å²	62.2	55%	0.546	32%	0.318	S	S	.	.			trans	-78	125.5	170.5	-61.9	0	0	0	0	109.1	V296 S297	V296-T457 CarbonylContact O-C 3.52Å; V296-T457 WeakPolarHBondContact O-CA 3.44Å; S297-T457 WeakPolarHBondContact CA-OG1 3.17Å; S297-T457 PolarHBondContact O-OG1 2.88Å; S297-T457 VanDerWaalsContact O-OG1 3.1Å
458	M	91.2	Very high	90.9	Very high	26 Å²	26	57.2 Å²	57.2	13%	0.128	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.6	178.7	64.7	179.1	63.1	0	0	111.2	D295 V296 F313 G314 T335 L460	D295-M458 CarbonylContact C-O 3.58Å; D295-M458 WeakPolarHBondContact CA-O 3.37Å; V296-M458 HydrophobicContact CG2-CB 4.47Å; V296-M458 HydrophobicContact CG2-CG 3.21Å; V296-M458 HydrophobicContact CG2-SD 4.04Å; V296-M458 PolarHBondContact N-O 2.96Å; V296-M458 PolarHBondContact O-N 3.33Å; F313-M458 HydrophobicContact CB-SD 4.35Å; G314-M458 VanDerWaalsContact N-CE 3.35Å; G314-M458 PolarHBondContact N-SD 3.42Å; G314-M458 VanDerWaalsContact N-SD 3.35Å; T335-M458 HydrophobicContact CG2-CE 3.32Å; M458-L460 HydrophobicContact CG-CD2 4.33Å; M458-L460 HydrophobicContact SD-CD2 3.72Å; M458-L460 HydrophobicContact SD-CG 4.43Å
459	T	91.9	Very high	90.8	Very high	75 Å²	75	49.5 Å²	49.5	46%	0.46	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.8	173.9	-56.2	0	0	0	0	109	T293 D295	T293-T459 HydrophobicContact CG2-CG2 3.83Å; D295-T459 WeakPolarHBondContact OD1-CB 3.41Å; D295-T459 VanDerWaalsContact OD1-CG2 3.32Å; D295-T459 WeakPolarHBondContact OD1-CG2 3.43Å; D295-T459 PolarHBondContact OD1-OG1 2.89Å
460	L	91.8	Very high	90.7	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.2	179.9	-64	173.9	0	0	0	110.6	T293 R294 V296 M302 F313 M458 I469	T293-L460 CarbonylContact C-O 3.41Å; T293-L460 WeakPolarHBondContact CA-O 3.26Å; R294-L460 PolarHBondContact N-O 3.41Å; R294-L460 PolarHBondContact O-N 2.96Å; V296-L460 HydrophobicContact CG1-CD1 4.04Å; V296-L460 HydrophobicContact CG2-CD1 4.27Å; V296-L460 HydrophobicContact CG2-CG 4.34Å; M302-L460 HydrophobicContact CE-CD1 4.15Å; M302-L460 HydrophobicContact SD-CD1 3.72Å; F313-L460 HydrophobicContact CB-CD1 3.71Å; F313-L460 HydrophobicContact CB-CD2 4.32Å; F313-L460 HydrophobicContact CD1-CD1 3.99Å; F313-L460 HydrophobicContact CD1-CD2 3.68Å; F313-L460 HydrophobicContact CD2-CD1 4.1Å; F313-L460 HydrophobicContact CE1-CD2 4.32Å; F313-L460 HydrophobicContact CG-CD1 3.66Å; F313-L460 HydrophobicContact CG-CD2 4.18Å; M458-L460 HydrophobicContact CG-CD2 4.33Å; M458-L460 HydrophobicContact SD-CD2 3.72Å; M458-L460 HydrophobicContact SD-CG 4.43Å; L460-I469 HydrophobicContact CB-CD1 4.5Å; L460-I469 HydrophobicContact CD1-CD1 4.45Å
461	P	93.2	Very high	90.6	Very high	44 Å²	44	46.4 Å²	46.4	29%	0.286	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.3	169.1	32.3	-32.8	0	0	0	109.9	V291 I469 I470	V291-P461 HydrophobicContact CG1-CB 3.4Å; V291-P461 VanDerWaalsContact CG1-CB 3.4Å; P461-I469 CarbonylContact O-C 3.5Å; P461-I469 WeakPolarHBondContact O-CA 3.45Å; P461-I470 HydrophobicContact CB-CB 3.9Å; P461-I470 HydrophobicContact CB-CG1 4.07Å; P461-I470 HydrophobicContact CG-CB 3.98Å; P461-I470 PolarHBondContact O-N 2.91Å
462	I	90.6	Very high	90.5	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.6	-176.4	-54.9	-173.3	0	0	0	108.9	V291 E292 R294 M302 S464 D468 I469	V291-I462 CarbonylContact C-O 3.55Å; V291-I462 WeakPolarHBondContact CA-O 3.46Å; E292-I462 PolarHBondContact N-O 3Å; E292-I462 WeakPolarHBondContact O-CA 3.32Å; E292-I462 WeakPolarHBondContact O-CB 3.15Å; E292-I462 PolarHBondContact O-N 2.71Å; R294-I462 HydrophobicContact CB-CD1 3.55Å; R294-I462 HydrophobicContact CB-CG1 4.3Å; R294-I462 HydrophobicContact CG-CD1 4.31Å; M302-I462 HydrophobicContact CE-CD1 4.04Å; I462-S464 PolarHBondContact O-N 3.27Å; I462-S464 VanDerWaalsContact O-N 3.15Å; I462-D468 CarbonylContact C-O 3.55Å; I462-D468 WeakPolarHBondContact CA-O 3.24Å; I462-I469 HydrophobicContact CD1-CD1 4.32Å; I462-I469 HydrophobicContact CG1-CD1 3.88Å
463	C	86.9	Confident	90.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	116.2	169.9	-177.8	0	0	0	0	109.8	R465 S466 G467 D468 I470	C463-R465 PolarHBondContact O-N 3.02Å; C463-R465 PolarHBondContact SG-N 3.01Å; C463-S466 VanDerWaalsContact CB-OG 3.24Å; C463-S466 WeakPolarHBondContact CB-OG 3.28Å; C463-S466 PolarHBondContact SG-N 3.22Å; C463-S466 VanDerWaalsContact SG-N 3.44Å; C463-S466 PolarHBondContact SG-OG 2.95Å; C463-S466 VanDerWaalsContact SG-OG 3.38Å; C463-G467 VanDerWaalsContact O-CA 3.32Å; C463-G467 WeakPolarHBondContact O-CA 3.39Å; C463-G467 PolarHBondContact O-N 3.2Å; C463-D468 PolarHBondContact N-O 3.3Å; C463-I470 HydrophobicContact CB-CD1 3.7Å
464	S	75.9	Confident	90.2	Very high	37 Å²	37	37 Å²	37	26%	0.259	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.9	175.5	61.1	0	0	0	0	113.7	E290 E292 I462	E290-S464 VanDerWaalsContact O-CB 3.26Å; E290-S464 WeakPolarHBondContact O-CB 3.27Å; E290-S464 PolarHBondContact O-N 3.48Å; E290-S464 PolarHBondContact O-OG 3.37Å; E292-S464 WeakPolarHBondContact OE1-CB 3.4Å; I462-S464 PolarHBondContact O-N 3.27Å; I462-S464 VanDerWaalsContact O-N 3.15Å
465	R	77.6	Confident	90	Very high	92 Å²	92	35.7 Å²	35.7	35%	0.347	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-57.6	-179.5	-53.5	-54	-179	-165.9	-2.3	111.6	R195 L282 E290 C463	R195-R465 PolarHBondContact NH2-O 3.48Å; L282-R465 HydrophobicContact CD1-CB 4.06Å; E290-R465 IonicContact OE1-NE 3.99Å; C463-R465 PolarHBondContact O-N 3.02Å; C463-R465 PolarHBondContact SG-N 3.01Å
466	S	80.8	Confident	89.7	Confident	28 Å²	28	33.6 Å²	33.6	20%	0.196	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-21.4	-174.3	60.8	0	0	0	0	114.1	S279 P305 C463 D468	S279-S466 PolarHBondContact OG-OG 3.03Å; P305-S466 WeakPolarHBondContact CG-O 3.36Å; C463-S466 VanDerWaalsContact CB-OG 3.24Å; C463-S466 WeakPolarHBondContact CB-OG 3.28Å; C463-S466 PolarHBondContact SG-N 3.22Å; C463-S466 VanDerWaalsContact SG-N 3.44Å; C463-S466 PolarHBondContact SG-OG 2.95Å; C463-S466 VanDerWaalsContact SG-OG 3.38Å; S466-D468 VanDerWaalsContact OG-CB 3.28Å; S466-D468 WeakPolarHBondContact OG-CB 3.44Å; S466-D468 PolarHBondContact OG-N 2.66Å
467	G	83.7	Confident	89.7	Confident	35 Å²	35	32.2 Å²	32.2	36%	0.361	18%	0.18	S	C	.	.			trans	75.5	5.6	-167.7	0	0	0	0	0	113.8	C463	C463-G467 VanDerWaalsContact O-CA 3.32Å; C463-G467 WeakPolarHBondContact O-CA 3.39Å; C463-G467 PolarHBondContact O-N 3.2Å
468	D	91.7	Very high	89.8	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.021	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-71.7	152.8	176.6	-167.6	13.7	0	0	0	111.7	C280 A281 P305 R433 I462 C463 S466	C280-D468 WeakPolarHBondContact CB-OD2 3.47Å; C280-D468 PolarHBondContact N-OD2 3.06Å; A281-D468 HydrophobicContact CB-CB 3.85Å; A281-D468 PolarHBondContact N-OD2 3.03Å; P305-D468 HydrophobicContact CG-CB 4.13Å; R433-D468 IonicContact NH2-OD1 3.73Å; R433-D468 PolarHBondContact NH2-OD1 2.88Å; R433-D468 IonicContact NH2-OD2 3.66Å; I462-D468 CarbonylContact C-O 3.55Å; I462-D468 WeakPolarHBondContact CA-O 3.24Å; C463-D468 PolarHBondContact N-O 3.3Å; S466-D468 VanDerWaalsContact OG-CB 3.28Å; S466-D468 WeakPolarHBondContact OG-CB 3.44Å; S466-D468 PolarHBondContact OG-N 2.66Å
469	I	94.8	Very high	90	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.056	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-78.2	124.7	171.4	-55.2	-54.4	0	0	0	107.8	M302 V304 F313 R433 F434 L460 P461 I462 E471	M302-I469 HydrophobicContact CE-CD1 4.32Å; V304-I469 HydrophobicContact CG2-CG1 4.28Å; F313-I469 HydrophobicContact CE1-CG1 4.16Å; F313-I469 HydrophobicContact CE2-CG1 4.3Å; F313-I469 HydrophobicContact CZ-CD1 4.42Å; F313-I469 HydrophobicContact CZ-CG1 3.68Å; R433-I469 PolarHBondContact NH1-O 2.96Å; R433-I469 PolarHBondContact NH2-O 2.73Å; F434-I469 HydrophobicContact CZ-CB 4.11Å; F434-I469 HydrophobicContact CZ-CG1 4.38Å; F434-I469 HydrophobicContact CZ-CG2 4.46Å; L460-I469 HydrophobicContact CB-CD1 4.5Å; L460-I469 HydrophobicContact CD1-CD1 4.45Å; P461-I469 CarbonylContact O-C 3.5Å; P461-I469 WeakPolarHBondContact O-CA 3.45Å; I462-I469 HydrophobicContact CD1-CD1 4.32Å; I462-I469 HydrophobicContact CG1-CD1 3.88Å; I469-E471 PolarHBondContact O-N 3.2Å
470	I	94.8	Very high	90.2	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.026	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-61.9	132.2	-177.3	-60.8	-63.9	0	0	0	110.1	N277 I286 V291 P461 C463	N277-I470 HydrophobicContact CB-CG2 3.68Å; N277-I470 WeakPolarHBondContact OD1-CG2 3.35Å; I286-I470 HydrophobicContact CB-CD1 4.43Å; I286-I470 HydrophobicContact CG1-CD1 4.4Å; I286-I470 HydrophobicContact CG2-CD1 4.37Å; V291-I470 HydrophobicContact CB-CG1 4.45Å; V291-I470 HydrophobicContact CG1-CG1 3.91Å; V291-I470 HydrophobicContact CG2-CD1 4.11Å; V291-I470 HydrophobicContact CG2-CG1 3.88Å; P461-I470 HydrophobicContact CB-CB 3.9Å; P461-I470 HydrophobicContact CB-CG1 4.07Å; P461-I470 HydrophobicContact CG-CB 3.98Å; P461-I470 PolarHBondContact O-N 2.91Å; C463-I470 HydrophobicContact CB-CD1 3.7Å
471	E	95.6	Very high	90.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.5	169.2	-171	57.3	-135.7	0	0	108.5	W278 R336 H395 I414 R433 I469 L473	W278-E471 WeakPolarHBondContact CA-O 3.47Å; W278-E471 HydrophobicContact CB-CB 4.49Å; W278-E471 WeakPolarHBondContact CB-O 3.21Å; W278-E471 PolarHBondContact N-O 2.75Å; W278-E471 PolarHBondContact O-N 3.37Å; R336-E471 IonicContact CZ-OE1 3.74Å; R336-E471 IonicContact CZ-OE2 3.89Å; R336-E471 IonicContact NH1-OE1 3.77Å; R336-E471 PolarHBondContact NH1-OE1 3.08Å; R336-E471 IonicContact NH2-OE1 3.52Å; R336-E471 PolarHBondContact NH2-OE1 3.12Å; R336-E471 IonicContact NH2-OE2 3.21Å; R336-E471 PolarHBondContact NH2-OE2 2.97Å; H395-E471 IonicContact CE1-OE1 2.81Å; H395-E471 IonicContact CG-OE1 3.67Å; H395-E471 IonicContact ND1-OE1 2.92Å; H395-E471 PolarHBondContact ND1-OE1 2.94Å; I414-E471 HydrophobicContact CG2-CG 4.43Å; R433-E471 WeakPolarHBondContact CD-OE2 3.29Å; R433-E471 IonicContact CZ-OE2 3.83Å; R433-E471 IonicContact NE-OE2 2.68Å; R433-E471 VanDerWaalsContact NH1-CB 3.35Å; R433-E471 IonicContact NH1-OE2 2.91Å; R433-E471 PolarHBondContact NH1-OE2 3.38Å; I469-E471 PolarHBondContact O-N 3.2Å; E471-L473 HydrophobicContact CB-CG 4.17Å; E471-L473 HydrophobicContact CG-CD1 4.32Å; E471-L473 HydrophobicContact CG-CD2 3.46Å; E471-L473 VanDerWaalsContact CG-CD2 3.46Å; E471-L473 HydrophobicContact CG-CG 3.56Å; E471-L473 PolarHBondContact O-N 3.04Å
472	P	94.7	Very high	90.5	Very high	13 Å²	13	27 Å²	27	8%	0.084	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	119.8	161.6	-16.8	31.6	0	0	0	107.9	L275 V276 H395 F397	L275-P472 HydrophobicContact CD1-CB 4.14Å; L275-P472 HydrophobicContact CD2-CB 3.54Å; L275-P472 HydrophobicContact CG-CB 3.8Å; V276-P472 WeakPolarHBondContact O-CA 3.4Å; H395-P472 WeakPolarHBondContact CA-O 3.15Å; H395-P472 PolarHBondContact ND1-O 3.15Å; H395-P472 WeakPolarHBondContact O-CG 2.94Å; F397-P472 HydrophobicContact CD2-CB 4.29Å; F397-P472 HydrophobicContact CD2-CG 4.28Å; F397-P472 HydrophobicContact CE2-CB 3.94Å; F397-P472 HydrophobicContact CE2-CG 4.01Å; F397-P472 HydrophobicContact CZ-CB 4.47Å
473	L	93.3	Very high	90.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.9	176.3	-73.1	-173.7	0	0	0	110.6	V276 W278 H395 I414 E471 K475	V276-L473 WeakPolarHBondContact CG2-O 3.47Å; V276-L473 PolarHBondContact N-O 2.79Å; V276-L473 PolarHBondContact O-N 3.13Å; W278-L473 HydrophobicContact CB-CB 4.09Å; W278-L473 HydrophobicContact CB-CD1 3.96Å; W278-L473 HydrophobicContact CB-CG 4Å; W278-L473 VanDerWaalsContact CD1-CD1 3.5Å; W278-L473 HydrophobicContact CD2-CD1 3.99Å; W278-L473 HydrophobicContact CG-CB 4.46Å; W278-L473 HydrophobicContact CG-CD1 3.57Å; W278-L473 HydrophobicContact CG-CG 4.17Å; H395-L473 VanDerWaalsContact CE1-CD2 3.5Å; H395-L473 WeakPolarHBondContact CE1-CD2 3.33Å; I414-L473 HydrophobicContact CB-CD2 4.33Å; E471-L473 HydrophobicContact CB-CG 4.17Å; E471-L473 HydrophobicContact CG-CD1 4.32Å; E471-L473 HydrophobicContact CG-CD2 3.46Å; E471-L473 VanDerWaalsContact CG-CD2 3.46Å; E471-L473 HydrophobicContact CG-CG 3.56Å; E471-L473 PolarHBondContact O-N 3.04Å; L473-K475 HydrophobicContact CB-CG 4.31Å; L473-K475 PolarHBondContact O-N 3.21Å
474	L	91.7	Very high	91.1	Very high	31 Å²	31	34.9 Å²	34.9	16%	0.162	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	116.7	171	-169	64.9	0	0	0	109.4	D273 L275 A394 F400 R410	D273-L474 HydrophobicContact CB-CD1 4.1Å; D273-L474 HydrophobicContact CB-CG 4.4Å; L275-L474 HydrophobicContact CD1-CB 4.42Å; A394-L474 HydrophobicContact CB-CB 4.07Å; A394-L474 PolarHBondContact O-N 3.49Å; F400-L474 HydrophobicContact CD2-CD1 4.26Å; F400-L474 HydrophobicContact CE2-CD1 3.57Å; F400-L474 HydrophobicContact CZ-CD1 4.31Å; R410-L474 HydrophobicContact CB-CD2 3.84Å
475	K	89.9	Confident	92.1	Very high	65 Å²	65	33.4 Å²	33.4	28%	0.283	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.3	179.8	-66.4	-66.8	-176.5	-177.5	0	110.3	G274 V276 W278 L473 Q477	G274-K475 PolarHBondContact N-O 2.86Å; G274-K475 PolarHBondContact O-N 3.22Å; V276-K475 HydrophobicContact CG2-CB 4.08Å; V276-K475 HydrophobicContact CG2-CG 3.98Å; W278-K475 HydrophobicContact CE3-CG 4.24Å; W278-K475 HydrophobicContact CZ3-CD 4.47Å; W278-K475 HydrophobicContact CZ3-CG 4.23Å; L473-K475 HydrophobicContact CB-CG 4.31Å; L473-K475 PolarHBondContact O-N 3.21Å; K475-Q477 HydrophobicContact CB-CG 3.84Å; K475-Q477 PolarHBondContact O-N 3Å
476	K	89.7	Confident	93	Very high	77 Å²	77	29 Å²	29	34%	0.335	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	117.5	163.7	-68.7	-173.5	-179.5	179.7	0	108.6	S272 D273 E547	S272-K476 WeakPolarHBondContact O-CA 3.46Å; D273-K476 WeakPolarHBondContact OD1-CG 3.37Å; K476-E547 IonicContact NZ-OE1 3.36Å; K476-E547 PolarHBondContact NZ-OE1 3.22Å
477	Q	92.1	Very high	93.8	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	165.7	-175.4	-67.9	-66	-66.1	0	0	110.5	R271 S272 V276 K475 F479 S522	R271-Q477 WeakPolarHBondContact CA-O 3.38Å; S272-Q477 PolarHBondContact N-O 3.15Å; S272-Q477 VanDerWaalsContact N-O 3.08Å; S272-Q477 PolarHBondContact O-N 3Å; V276-Q477 HydrophobicContact CG1-CG 3.95Å; K475-Q477 HydrophobicContact CB-CG 3.84Å; K475-Q477 PolarHBondContact O-N 3Å; Q477-F479 HydrophobicContact CB-CD2 4.42Å; Q477-F479 HydrophobicContact CB-CE2 3.62Å; Q477-F479 HydrophobicContact CB-CZ 3.83Å; Q477-F479 WeakPolarHBondContact O-CD2 3.39Å; Q477-F479 WeakPolarHBondContact O-CE2 3.48Å; Q477-S522 WeakPolarHBondContact CA-OG 3.32Å; Q477-S522 VanDerWaalsContact CB-OG 3.29Å; Q477-S522 WeakPolarHBondContact CB-OG 3.24Å; Q477-S522 PolarHBondContact OE1-O 3.42Å; Q477-S522 PolarHBondContact OE1-OG 2.87Å
478	W	94	Very high	94.5	Very high	6 Å²	6	35 Å²	35	2%	0.023	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.5	173.6	-68.9	95.3	0	0	0	110.7	F260 I269 Y270 R271 V521 S522 I531 A533 W549 D580	F260-W478 HydrophobicContact CZ-CD2 4.01Å; F260-W478 AromaticContact CZ-CE3 3.93Å; F260-W478 HydrophobicContact CZ-CE3 3.93Å; F260-W478 HydrophobicContact CZ-CH2 4.47Å; F260-W478 HydrophobicContact CZ-CZ3 4.15Å; I269-W478 HydrophobicContact CG2-CE3 3.51Å; I269-W478 HydrophobicContact CG2-CZ3 4Å; Y270-W478 WeakPolarHBondContact O-CA 3.48Å; R271-W478 HydrophobicContact CB-CD2 4.04Å; R271-W478 HydrophobicContact CB-CE3 3.9Å; R271-W478 HydrophobicContact CB-CH2 4.14Å; R271-W478 HydrophobicContact CB-CZ2 4.24Å; R271-W478 HydrophobicContact CB-CZ3 3.97Å; R271-W478 HydrophobicContact CG-CD2 4.38Å; W478-V521 HydrophobicContact CB-CG2 3.9Å; W478-V521 WeakPolarHBondContact O-CG2 3.33Å; W478-V521 PolarHBondContact O-N 3.13Å; W478-S522 PolarHBondContact N-OG 3.48Å; W478-I531 HydrophobicContact CG-CD1 4.22Å; W478-A533 HydrophobicContact CH2-CB 4.06Å; W478-A533 HydrophobicContact CZ2-CB 3.45Å; W478-A533 VanDerWaalsContact CZ2-CB 3.45Å; W478-W549 HydrophobicContact CZ2-CE3 4.49Å; W478-D580 PolarHBondContact NE1-OD2 3.15Å
479	F	94.4	Very high	94.8	Very high	16 Å²	16	34.8 Å²	34.8	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.6	-176.7	-63.6	-92.3	0	0	0	111.1	I269 Y270 V276 Q477 D518 W519 C520	I269-F479 VanDerWaalsContact CA-O 3.31Å; I269-F479 WeakPolarHBondContact CA-O 3.47Å; Y270-F479 HydrophobicContact CD1-CB 4.18Å; Y270-F479 HydrophobicContact CE1-CB 3.57Å; Y270-F479 HydrophobicContact CE2-CB 4.18Å; Y270-F479 HydrophobicContact CE2-CD2 4.31Å; Y270-F479 PolarHBondContact N-O 3.38Å; Y270-F479 PolarHBondContact O-N 3.28Å; V276-F479 HydrophobicContact CG1-CZ 4.31Å; Q477-F479 HydrophobicContact CB-CD2 4.42Å; Q477-F479 HydrophobicContact CB-CE2 3.62Å; Q477-F479 HydrophobicContact CB-CZ 3.83Å; Q477-F479 WeakPolarHBondContact O-CD2 3.39Å; Q477-F479 WeakPolarHBondContact O-CE2 3.48Å; F479-D518 HydrophobicContact CB-CB 4.45Å; F479-W519 CarbonylContact C-O 3.59Å; F479-W519 VanDerWaalsContact CA-O 3.3Å; F479-W519 WeakPolarHBondContact CA-O 3.08Å; F479-C520 HydrophobicContact CD1-CB 3.9Å; F479-C520 HydrophobicContact CE1-CB 3.63Å; F479-C520 HydrophobicContact CZ-CB 4.4Å
480	V	96.2	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.2	169.6	177.8	0	0	0	0	109.1	L268 I269 C482 M485 D518 W519 V521 F588	L268-V480 CarbonylContact O-C 3.51Å; L268-V480 WeakPolarHBondContact O-CA 3.4Å; I269-V480 HydrophobicContact CD1-CG2 4.13Å; I269-V480 HydrophobicContact CG1-CG2 3.69Å; V480-C482 PolarHBondContact O-N 3.32Å; V480-C482 PolarHBondContact O-SG 2.78Å; V480-M485 HydrophobicContact CG1-CE 3.56Å; V480-D518 WeakPolarHBondContact O-CA 3.41Å; V480-W519 HydrophobicContact CB-CB 4.33Å; V480-W519 HydrophobicContact CB-CE3 4.12Å; V480-W519 HydrophobicContact CG1-CE3 4.43Å; V480-W519 HydrophobicContact CG2-CE3 4.1Å; V480-W519 PolarHBondContact N-O 3.1Å; V480-W519 PolarHBondContact O-N 2.7Å; V480-V521 HydrophobicContact CB-CG1 4.47Å; V480-V521 HydrophobicContact CG2-CB 4.46Å; V480-V521 HydrophobicContact CG2-CG1 3.5Å; V480-V521 VanDerWaalsContact CG2-CG1 3.5Å; V480-V521 HydrophobicContact CG2-CG2 4.12Å; V480-F588 HydrophobicContact CG2-CE2 4.31Å
481	R	96.1	Very high	95.1	Very high	114 Å²	114	38.7 Å²	38.7	43%	0.43	19%	0.185	S	C	.	.			trans	-64.6	113.8	172.9	-67.3	-174.2	-178.5	-76.6	0.4	110.8	G267 L268 Y270 M485 D518	G267-R481 PolarHBondContact O-NE 3.41Å; L268-R481 HydrophobicContact CD2-CB 4.1Å; L268-R481 PolarHBondContact O-N 3.29Å; Y270-R481 HydrophobicContact CD1-CG 3.77Å; Y270-R481 HydrophobicContact CE1-CG 3.63Å; R481-M485 WeakPolarHBondContact O-CE 3.35Å; R481-D518 VanDerWaalsContact CA-OD1 3.27Å; R481-D518 WeakPolarHBondContact CA-OD1 3.25Å; R481-D518 IonicContact NH1-OD2 2.9Å
482	C	95.6	Very high	95.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	19%	0.189	C	C	.	.			trans	-97	-29	-171.6	-71.7	0	0	0	0	114.1	V480 T484 M485 A486 I516 D518 R629	V480-C482 PolarHBondContact O-N 3.32Å; V480-C482 PolarHBondContact O-SG 2.78Å; C482-T484 PolarHBondContact O-N 3.5Å; C482-M485 PolarHBondContact O-N 3.49Å; C482-M485 VanDerWaalsContact O-N 3.15Å; C482-A486 VanDerWaalsContact O-CB 3.32Å; C482-A486 WeakPolarHBondContact O-CB 3.28Å; C482-A486 PolarHBondContact O-N 3.39Å; C482-I516 HydrophobicContact CB-CD1 3.93Å; C482-I516 HydrophobicContact CB-CG1 4.09Å; C482-I516 HydrophobicContact CB-CG2 3.8Å; C482-D518 PolarHBondContact N-OD1 2.95Å; C482-R629 PolarHBondContact SG-NH1 3.05Å
483	D	94.4	Very high	95.3	Very high	97 Å²	97	39.4 Å²	39.4	52%	0.519	19%	0.19	S	C	.	.	H	α-helix	trans	-50.4	-56.2	-166.1	-61.2	-22.3	0	0	0	113.8	M485 A486 M487	D483-M485 PolarHBondContact O-N 3.27Å; D483-A486 PolarHBondContact O-N 2.88Å; D483-M487 WeakPolarHBondContact O-CG 3.09Å; D483-M487 PolarHBondContact O-N 3.39Å
484	T	96	Very high	95.5	Very high	91 Å²	91	44.6 Å²	44.6	56%	0.558	22%	0.215	S	C	*	.	H	α-helix	trans	-66.6	-38.8	-176.3	-36.3	0	0	0	0	112.1	C482 K488	C482-T484 PolarHBondContact O-N 3.5Å; T484-K488 WeakPolarHBondContact O-CG 3.35Å; T484-K488 PolarHBondContact O-N 3.07Å
485	M	97.3	Very high	95.7	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-36.5	177.8	-67.1	-171.2	-79.1	0	0	111.5	L268 V480 R481 C482 D483 K488 A489 M632 L633 E636	L268-M485 HydrophobicContact CD1-SD 4.46Å; V480-M485 HydrophobicContact CG1-CE 3.56Å; R481-M485 WeakPolarHBondContact O-CE 3.35Å; C482-M485 PolarHBondContact O-N 3.49Å; C482-M485 VanDerWaalsContact O-N 3.15Å; D483-M485 PolarHBondContact O-N 3.27Å; M485-K488 PolarHBondContact O-N 3.05Å; M485-A489 WeakPolarHBondContact O-CB 3.28Å; M485-A489 PolarHBondContact O-N 3.33Å; M485-M632 HydrophobicContact CB-CB 3.8Å; M485-M632 HydrophobicContact CB-CG 3.69Å; M485-M632 HydrophobicContact CB-SD 3.96Å; M485-M632 HydrophobicContact SD-CB 4.06Å; M485-L633 HydrophobicContact CE-CD2 4.39Å; M485-L633 HydrophobicContact SD-CD2 4.27Å; M485-E636 HydrophobicContact CG-CB 4.47Å; M485-E636 HydrophobicContact SD-CB 3.83Å; M485-E636 HydrophobicContact SD-CG 4.04Å
486	A	97.1	Very high	96	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-40.7	177.1	0	0	0	0	0	111.7	C482 D483 A489 I490 L513 I516 M632	C482-A486 VanDerWaalsContact O-CB 3.32Å; C482-A486 WeakPolarHBondContact O-CB 3.28Å; C482-A486 PolarHBondContact O-N 3.39Å; D483-A486 PolarHBondContact O-N 2.88Å; A486-A489 WeakPolarHBondContact O-CB 3.29Å; A486-A489 PolarHBondContact O-N 3.17Å; A486-I490 WeakPolarHBondContact O-CG1 3.38Å; A486-I490 PolarHBondContact O-N 2.98Å; A486-L513 HydrophobicContact CB-CB 4.18Å; A486-L513 HydrophobicContact CB-CD2 3.83Å; A486-I516 HydrophobicContact CB-CG2 3.68Å; A486-M632 HydrophobicContact CB-SD 4.13Å
487	M	97.4	Very high	96.4	Very high	93 Å²	93	51 Å²	51	46%	0.458	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-48.5	173.2	-71.6	-56.6	-56.9	0	0	112.1	D483 A489 I490 E491	D483-M487 WeakPolarHBondContact O-CG 3.09Å; D483-M487 PolarHBondContact O-N 3.39Å; M487-A489 PolarHBondContact O-N 3.19Å; M487-I490 WeakPolarHBondContact O-CB 3.38Å; M487-I490 PolarHBondContact O-N 3.29Å; M487-I490 HydrophobicContact SD-CD1 4.23Å; M487-E491 WeakPolarHBondContact O-CG 3.36Å; M487-E491 PolarHBondContact O-N 3.36Å
488	K	97.4	Very high	96.7	Very high	94 Å²	94	50.8 Å²	50.8	41%	0.409	26%	0.264	S	S	.	.	H	α-helix	trans	-56.8	-37.4	174.5	-68.4	176.2	-173.5	175.6	0	112.2	T484 M485 A492 E636	T484-K488 WeakPolarHBondContact O-CG 3.35Å; T484-K488 PolarHBondContact O-N 3.07Å; M485-K488 PolarHBondContact O-N 3.05Å; K488-A492 WeakPolarHBondContact O-CB 3.28Å; K488-A492 PolarHBondContact O-N 3.45Å; K488-E636 IonicContact NZ-OE2 2.79Å; K488-E636 PolarHBondContact NZ-OE2 3.12Å
489	A	97.7	Very high	96.9	Very high	1 Å²	1	55 Å²	55	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-72.4	-28.7	178.7	0	0	0	0	0	113.3	M485 A486 M487 W509 L513 V631 M632	M485-A489 WeakPolarHBondContact O-CB 3.28Å; M485-A489 PolarHBondContact O-N 3.33Å; A486-A489 WeakPolarHBondContact O-CB 3.29Å; A486-A489 PolarHBondContact O-N 3.17Å; M487-A489 PolarHBondContact O-N 3.19Å; A489-W509 HydrophobicContact CB-CZ2 4.09Å; A489-W509 PolarHBondContact O-NE1 3.02Å; A489-L513 HydrophobicContact CB-CD1 3.88Å; A489-V631 HydrophobicContact CB-CG1 3.64Å; A489-M632 HydrophobicContact CB-CG 4.44Å
490	I	98	Very high	97	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-70	-51.6	169.9	-67.1	167.3	0	0	0	109.4	A486 M487 A492 V493 E494 K510 L513	A486-I490 WeakPolarHBondContact O-CG1 3.38Å; A486-I490 PolarHBondContact O-N 2.98Å; M487-I490 WeakPolarHBondContact O-CB 3.38Å; M487-I490 PolarHBondContact O-N 3.29Å; M487-I490 HydrophobicContact SD-CD1 4.23Å; I490-A492 VanDerWaalsContact C-N 3.29Å; I490-A492 PolarHBondContact O-N 3.21Å; I490-V493 PolarHBondContact O-N 3.37Å; I490-E494 HydrophobicContact CG2-CG 4.22Å; I490-E494 PolarHBondContact O-N 2.92Å; I490-K510 HydrophobicContact CG2-CD 4.43Å; I490-K510 HydrophobicContact CG2-CG 4.21Å; I490-L513 HydrophobicContact CD1-CB 3.68Å; I490-L513 HydrophobicContact CG1-CB 3.69Å; I490-L513 HydrophobicContact CG1-CD1 3.85Å; I490-L513 HydrophobicContact CG1-CG 4.45Å
491	E	97.9	Very high	97	Very high	91 Å²	91	55.1 Å²	55.1	43%	0.425	29%	0.286	S	S	.	.	H	α-helix	trans	-56	-42.9	179.6	-71.3	169.7	-177.7	0	0	111.4	M487 V493 E494 D495	M487-E491 WeakPolarHBondContact O-CG 3.36Å; M487-E491 PolarHBondContact O-N 3.36Å; E491-V493 PolarHBondContact O-N 3.21Å; E491-V493 VanDerWaalsContact O-N 3.14Å; E491-E494 PolarHBondContact O-N 2.8Å; E491-E494 VanDerWaalsContact O-N 3.08Å; E491-D495 WeakPolarHBondContact O-CB 3.4Å; E491-D495 PolarHBondContact O-N 3.18Å
492	A	97.9	Very high	96.9	Very high	11 Å²	11	50.2 Å²	50.2	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-35.1	176.7	0	0	0	0	0	113.6	K488 I490 Q497 L498 L641	K488-A492 WeakPolarHBondContact O-CB 3.28Å; K488-A492 PolarHBondContact O-N 3.45Å; I490-A492 VanDerWaalsContact C-N 3.29Å; I490-A492 PolarHBondContact O-N 3.21Å; A492-Q497 HydrophobicContact CB-CB 4.49Å; A492-Q497 CarbonylContact O-C 3.54Å; A492-Q497 WeakPolarHBondContact O-CA 3.46Å; A492-Q497 WeakPolarHBondContact O-CB 3.41Å; A492-Q497 PolarHBondContact O-N 3.1Å; A492-L498 HydrophobicContact CB-CB 4.15Å; A492-L498 PolarHBondContact O-N 2.93Å; A492-L641 HydrophobicContact CB-CD1 4.2Å; A492-L641 HydrophobicContact CB-CD2 3.96Å
493	V	97.8	Very high	96.8	Very high	17 Å²	17	57 Å²	57	10%	0.103	30%	0.3	C	S	.	.	H	α-helix	trans	-80.5	-39.9	176.6	179.1	0	0	0	0	111.4	I490 E491 G496 L498 I500 T506	I490-V493 PolarHBondContact O-N 3.37Å; E491-V493 PolarHBondContact O-N 3.21Å; E491-V493 VanDerWaalsContact O-N 3.14Å; V493-G496 PolarHBondContact O-N 3.11Å; V493-L498 WeakPolarHBondContact CA-O 3.26Å; V493-L498 HydrophobicContact CG2-CB 4.06Å; V493-L498 HydrophobicContact CG2-CD2 3.83Å; V493-L498 HydrophobicContact CG2-CG 4.03Å; V493-I500 HydrophobicContact CG1-CD1 4.27Å; V493-I500 HydrophobicContact CG2-CD1 3.83Å; V493-I500 HydrophobicContact CG2-CG1 4.2Å; V493-T506 HydrophobicContact CG1-CG2 3.66Å
494	E	96.8	Very high	96.7	Very high	111 Å²	111	58.4 Å²	58.4	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-66.5	-36.9	179.7	-67.4	-174.2	159.1	0	0	112.3	I490 E491 G496 K510	I490-E494 HydrophobicContact CG2-CG 4.22Å; I490-E494 PolarHBondContact O-N 2.92Å; E491-E494 PolarHBondContact O-N 2.8Å; E491-E494 VanDerWaalsContact O-N 3.08Å; E494-G496 VanDerWaalsContact C-N 3.29Å; E494-G496 PolarHBondContact O-N 3.06Å; E494-K510 WeakPolarHBondContact OE1-CD 3.41Å; E494-K510 WeakPolarHBondContact OE1-CE 3.32Å; E494-K510 IonicContact OE1-NZ 2.71Å; E494-K510 PolarHBondContact OE1-NZ 2.95Å
495	D	96.6	Very high	96.6	Very high	121 Å²	121	55.2 Å²	55.2	65%	0.647	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.8	178	-68.1	-16.9	0	0	0	113.4	E491 Q497	E491-D495 WeakPolarHBondContact O-CB 3.4Å; E491-D495 PolarHBondContact O-N 3.18Å; D495-Q497 VanDerWaalsContact C-N 3.31Å; D495-Q497 HydrophobicContact CB-CG 4.36Å; D495-Q497 PolarHBondContact O-N 2.91Å
496	G	96.3	Very high	96.6	Very high	58 Å²	58	56.3 Å²	56.3	60%	0.598	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	14.7	179.8	0	0	0	0	0	115.3	V493 E494 L498	V493-G496 PolarHBondContact O-N 3.11Å; E494-G496 VanDerWaalsContact C-N 3.29Å; E494-G496 PolarHBondContact O-N 3.06Å; G496-L498 VanDerWaalsContact C-N 3.34Å
497	Q	97	Very high	96.4	Very high	129 Å²	129	63.3 Å²	63.3	60%	0.603	31%	0.314	S	S	*	.	S	Bend	trans	-72.1	-30.6	172.5	-61.4	-63.4	-46	0	0	112.1	A492 D495 L641	A492-Q497 HydrophobicContact CB-CB 4.49Å; A492-Q497 CarbonylContact O-C 3.54Å; A492-Q497 WeakPolarHBondContact O-CA 3.46Å; A492-Q497 WeakPolarHBondContact O-CB 3.41Å; A492-Q497 PolarHBondContact O-N 3.1Å; D495-Q497 VanDerWaalsContact C-N 3.31Å; D495-Q497 HydrophobicContact CB-CG 4.36Å; D495-Q497 PolarHBondContact O-N 2.91Å; Q497-L641 HydrophobicContact CB-CD1 3.72Å; Q497-L641 WeakPolarHBondContact O-CD1 3.45Å
498	L	98.1	Very high	96.2	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	31%	0.31	C	S	.	.	S	Bend	trans	-122.1	117.2	176	178.8	61.3	0	0	0	110.1	A492 V493 G496 W509 V631 L641 F643 K644 V646	A492-L498 HydrophobicContact CB-CB 4.15Å; A492-L498 PolarHBondContact O-N 2.93Å; V493-L498 WeakPolarHBondContact CA-O 3.26Å; V493-L498 HydrophobicContact CG2-CB 4.06Å; V493-L498 HydrophobicContact CG2-CD2 3.83Å; V493-L498 HydrophobicContact CG2-CG 4.03Å; G496-L498 VanDerWaalsContact C-N 3.34Å; L498-W509 HydrophobicContact CD2-CH2 4.47Å; L498-W509 HydrophobicContact CD2-CZ2 4.11Å; L498-V631 HydrophobicContact CD2-CG1 4.31Å; L498-V631 HydrophobicContact CD2-CG2 3.79Å; L498-L641 HydrophobicContact CB-CD1 4.08Å; L498-F643 HydrophobicContact CD1-CD2 3.73Å; L498-F643 HydrophobicContact CD1-CE2 3.93Å; L498-K644 WeakPolarHBondContact CA-O 3.22Å; L498-V646 HydrophobicContact CD1-CG2 3.99Å
499	E	97.9	Very high	96.1	Very high	94 Å²	94	58.1 Å²	58.1	44%	0.439	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.4	175.7	-164.8	-178.6	180	0	0	111.3	I501 K644 Q645 V646	E499-I501 HydrophobicContact CG-CD1 4.4Å; E499-I501 HydrophobicContact CG-CG1 4.07Å; E499-K644 PolarHBondContact N-O 3.11Å; E499-Q645 HydrophobicContact CB-CB 4.45Å; E499-Q645 HydrophobicContact CB-CG 4.01Å; E499-Q645 CarbonylContact O-C 3.58Å; E499-Q645 WeakPolarHBondContact O-CA 3.42Å; E499-Q645 PolarHBondContact OE2-NE2 2.81Å; E499-V646 PolarHBondContact O-N 2.64Å
500	I	97.4	Very high	96	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.7	172.2	-64.7	179	0	0	0	109.6	V493 P502 H503 W509 F648	V493-I500 HydrophobicContact CG1-CD1 4.27Å; V493-I500 HydrophobicContact CG2-CD1 3.83Å; V493-I500 HydrophobicContact CG2-CG1 4.2Å; I500-P502 CarbonylContact O-C 3.28Å; I500-H503 WeakPolarHBondContact O-CA 3.47Å; I500-H503 PolarHBondContact O-N 3.05Å; I500-W509 HydrophobicContact CD1-CB 3.89Å; I500-W509 HydrophobicContact CD1-CD2 3.7Å; I500-W509 HydrophobicContact CD1-CE3 3.99Å; I500-W509 HydrophobicContact CD1-CG 3.68Å; I500-F648 HydrophobicContact CG2-CD2 4.02Å; I500-F648 HydrophobicContact CG2-CE2 3.84Å
501	I	95.9	Very high	95.8	Very high	15 Å²	15	66.7 Å²	66.7	8%	0.077	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.3	-179.5	-58.2	158.8	0	0	0	108.8	E499 V646 L647 F648 Y801	E499-I501 HydrophobicContact CG-CD1 4.4Å; E499-I501 HydrophobicContact CG-CG1 4.07Å; I501-V646 WeakPolarHBondContact CB-O 3.49Å; I501-V646 PolarHBondContact N-O 2.79Å; I501-L647 HydrophobicContact CB-CD1 4.17Å; I501-L647 HydrophobicContact CG2-CD1 3.64Å; I501-F648 PolarHBondContact O-N 2.79Å; I501-Y801 HydrophobicContact CD1-CD2 3.85Å; I501-Y801 HydrophobicContact CD1-CE2 3.68Å
502	P	94.1	Very high	95.5	Very high	11 Å²	11	65.6 Å²	65.6	7%	0.071	32%	0.324	C	S	.	.	S	Bend	cis	-75	153.7	-5.1	-19.7	34.9	0	0	0	113.8	I500 Y504 Y505 Q729	I500-P502 CarbonylContact O-C 3.28Å; P502-Y504 HydrophobicContact CB-CD1 3.62Å; P502-Y504 HydrophobicContact CB-CE1 3.34Å; P502-Y504 HydrophobicContact CB-CG 4.49Å; P502-Y504 HydrophobicContact CG-CD1 4.43Å; P502-Y504 HydrophobicContact CG-CE1 3.66Å; P502-Y504 PolarHBondContact O-N 2.7Å; P502-Y505 PolarHBondContact O-N 3Å; P502-Y505 VanDerWaalsContact O-N 3.14Å; P502-Q729 HydrophobicContact CG-CB 3.69Å; P502-Q729 HydrophobicContact CG-CG 4.01Å
503	H	93.7	Very high	95.4	Very high	144 Å²	144	65.3 Å²	65.3	67%	0.667	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.4	-173.7	-164.6	77.5	0	0	0	115.1	I500 Y505 T506	I500-H503 WeakPolarHBondContact O-CA 3.47Å; I500-H503 PolarHBondContact O-N 3.05Å; H503-Y505 PolarHBondContact O-N 3.04Å; H503-T506 VanDerWaalsContact O-CB 3.29Å; H503-T506 WeakPolarHBondContact O-CB 3.46Å; H503-T506 PolarHBondContact O-N 2.96Å; H503-T506 VanDerWaalsContact O-N 3.12Å; H503-T506 PolarHBondContact O-OG1 2.94Å
504	Y	92.6	Very high	95.2	Very high	126 Å²	126	68 Å²	68	49%	0.494	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.5	178.3	65.3	-108.4	0	0	0	113.2	P502 T506 Q729	P502-Y504 HydrophobicContact CB-CD1 3.62Å; P502-Y504 HydrophobicContact CB-CE1 3.34Å; P502-Y504 HydrophobicContact CB-CG 4.49Å; P502-Y504 HydrophobicContact CG-CD1 4.43Å; P502-Y504 HydrophobicContact CG-CE1 3.66Å; P502-Y504 PolarHBondContact O-N 2.7Å; Y504-T506 VanDerWaalsContact C-N 3.28Å; Y504-T506 PolarHBondContact O-N 3.42Å; Y504-Q729 PolarHBondContact OH-O 3.39Å
505	Y	94.8	Very high	94.7	Very high	24 Å²	24	67.1 Å²	67.1	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-73.3	-16.9	173.6	-74.4	-65.1	0	0	0	113.2	P502 H503 K507 M508 W509 S620 I623 F648	P502-Y505 PolarHBondContact O-N 3Å; P502-Y505 VanDerWaalsContact O-N 3.14Å; H503-Y505 PolarHBondContact O-N 3.04Å; Y505-K507 VanDerWaalsContact C-N 3.28Å; Y505-K507 PolarHBondContact O-N 3.23Å; Y505-M508 HydrophobicContact CD1-CE 4.46Å; Y505-M508 HydrophobicContact CD1-SD 3.99Å; Y505-M508 HydrophobicContact CE1-SD 4.34Å; Y505-M508 WeakPolarHBondContact O-CA 3.24Å; Y505-M508 WeakPolarHBondContact O-CB 3.38Å; Y505-M508 PolarHBondContact O-N 3.39Å; Y505-W509 PolarHBondContact O-N 3.4Å; Y505-S620 WeakPolarHBondContact OH-CB 3.33Å; Y505-I623 HydrophobicContact CD1-CD1 4.21Å; Y505-I623 HydrophobicContact CG-CD1 4.36Å; Y505-F648 HydrophobicContact CD2-CB 4.12Å; Y505-F648 AromaticContact CD2-CD2 3.84Å; Y505-F648 HydrophobicContact CD2-CD2 3.84Å; Y505-F648 HydrophobicContact CD2-CG 4.31Å; Y505-F648 HydrophobicContact CE2-CB 3.81Å; Y505-F648 HydrophobicContact CE2-CD2 4.35Å; Y505-F648 HydrophobicContact CE2-CG 4.37Å; Y505-F648 HydrophobicContact CG-CD2 4.26Å
506	T	95.3	Very high	94.3	Very high	28 Å²	28	62.1 Å²	62.1	17%	0.172	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-38.5	179.8	-57.2	0	0	0	0	112.7	V493 H503 Y504 W509 K510	V493-T506 HydrophobicContact CG1-CG2 3.66Å; H503-T506 VanDerWaalsContact O-CB 3.29Å; H503-T506 WeakPolarHBondContact O-CB 3.46Å; H503-T506 PolarHBondContact O-N 2.96Å; H503-T506 VanDerWaalsContact O-N 3.12Å; H503-T506 PolarHBondContact O-OG1 2.94Å; Y504-T506 VanDerWaalsContact C-N 3.28Å; Y504-T506 PolarHBondContact O-N 3.42Å; T506-W509 WeakPolarHBondContact O-CB 3.19Å; T506-W509 PolarHBondContact O-N 3.48Å; T506-K510 PolarHBondContact O-N 2.75Å
507	K	94.4	Very high	93.8	Very high	148 Å²	148	63.4 Å²	63.4	64%	0.643	32%	0.32	S	S	*	.	H	α-helix	trans	-65.9	-41.2	175.8	-175.2	175.5	-177.6	174.8	0	112	Y505 N511	Y505-K507 VanDerWaalsContact C-N 3.28Å; Y505-K507 PolarHBondContact O-N 3.23Å; K507-N511 WeakPolarHBondContact O-CB 3.23Å; K507-N511 PolarHBondContact O-N 2.87Å; K507-N511 PolarHBondContact O-OD1 2.6Å
508	M	92.9	Very high	93.5	Very high	76 Å²	76	59.2 Å²	59.2	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-42.4	178	173.9	179.5	-61.9	0	0	110.9	Y505 W512 I623 F624	Y505-M508 HydrophobicContact CD1-CE 4.46Å; Y505-M508 HydrophobicContact CD1-SD 3.99Å; Y505-M508 HydrophobicContact CE1-SD 4.34Å; Y505-M508 WeakPolarHBondContact O-CA 3.24Å; Y505-M508 WeakPolarHBondContact O-CB 3.38Å; Y505-M508 PolarHBondContact O-N 3.39Å; M508-W512 WeakPolarHBondContact O-CB 3.45Å; M508-W512 PolarHBondContact O-N 3.15Å; M508-W512 VanDerWaalsContact O-N 3.15Å; M508-I623 HydrophobicContact SD-CG2 4.49Å; M508-F624 HydrophobicContact CG-CE1 4.05Å; M508-F624 HydrophobicContact CG-CE2 4.16Å; M508-F624 HydrophobicContact CG-CZ 3.32Å; M508-F624 HydrophobicContact SD-CE2 4.26Å; M508-F624 HydrophobicContact SD-CZ 3.95Å
509	W	95.4	Very high	93.2	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-55.7	-56.1	173.1	178.8	-95.6	0	0	0	111.9	A489 L498 I500 Y505 T506 N511 W512 L513 I623 V627 A628 V631	A489-W509 HydrophobicContact CB-CZ2 4.09Å; A489-W509 PolarHBondContact O-NE1 3.02Å; L498-W509 HydrophobicContact CD2-CH2 4.47Å; L498-W509 HydrophobicContact CD2-CZ2 4.11Å; I500-W509 HydrophobicContact CD1-CB 3.89Å; I500-W509 HydrophobicContact CD1-CD2 3.7Å; I500-W509 HydrophobicContact CD1-CE3 3.99Å; I500-W509 HydrophobicContact CD1-CG 3.68Å; Y505-W509 PolarHBondContact O-N 3.4Å; T506-W509 WeakPolarHBondContact O-CB 3.19Å; T506-W509 PolarHBondContact O-N 3.48Å; W509-N511 PolarHBondContact O-N 3.15Å; W509-W512 PolarHBondContact O-N 3.28Å; W509-L513 HydrophobicContact CD2-CD1 3.87Å; W509-L513 HydrophobicContact CG-CD1 4.11Å; W509-L513 HydrophobicContact CZ2-CD1 3.83Å; W509-L513 VanDerWaalsContact NE1-CD1 3.28Å; W509-L513 PolarHBondContact O-N 3.14Å; W509-I623 HydrophobicContact CE3-CD1 4.3Å; W509-I623 HydrophobicContact CE3-CG1 3.88Å; W509-I623 HydrophobicContact CZ3-CG1 4.28Å; W509-V627 HydrophobicContact CH2-CG1 4.22Å; W509-V627 HydrophobicContact CZ3-CB 4.34Å; W509-V627 HydrophobicContact CZ3-CG1 3.99Å; W509-A628 VanDerWaalsContact CH2-CA 3.49Å; W509-A628 HydrophobicContact CH2-CB 3.92Å; W509-A628 HydrophobicContact CZ3-CB 3.79Å; W509-V631 HydrophobicContact CH2-CB 4.24Å; W509-V631 HydrophobicContact CH2-CG2 3.97Å; W509-V631 HydrophobicContact CZ2-CB 4.43Å; W509-V631 HydrophobicContact CZ2-CG1 4.39Å; W509-V631 HydrophobicContact CZ2-CG2 4.36Å
510	K	96.2	Very high	92.9	Very high	89 Å²	89	56.3 Å²	56.3	39%	0.387	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-48.4	-179.6	-178.7	170.1	-177	160.4	0	112.2	I490 E494 T506 W512 L513 S514	I490-K510 HydrophobicContact CG2-CD 4.43Å; I490-K510 HydrophobicContact CG2-CG 4.21Å; E494-K510 WeakPolarHBondContact OE1-CD 3.41Å; E494-K510 WeakPolarHBondContact OE1-CE 3.32Å; E494-K510 IonicContact OE1-NZ 2.71Å; E494-K510 PolarHBondContact OE1-NZ 2.95Å; T506-K510 PolarHBondContact O-N 2.75Å; K510-W512 VanDerWaalsContact C-N 3.32Å; K510-W512 PolarHBondContact O-N 3.42Å; K510-L513 PolarHBondContact O-N 2.83Å; K510-S514 WeakPolarHBondContact O-CB 3.23Å; K510-S514 PolarHBondContact O-N 2.73Å; K510-S514 PolarHBondContact O-OG 3.11Å
511	N	93.8	Very high	92.7	Very high	98 Å²	98	56 Å²	56	52%	0.524	29%	0.288	S	S	.	.	H	α-helix	trans	-59.8	-42.9	-177.9	-75.2	-0.1	0	0	0	112.1	K507 W509 S515	K507-N511 WeakPolarHBondContact O-CB 3.23Å; K507-N511 PolarHBondContact O-N 2.87Å; K507-N511 PolarHBondContact O-OD1 2.6Å; W509-N511 PolarHBondContact O-N 3.15Å; N511-S515 PolarHBondContact O-OG 3.24Å
512	W	91.6	Very high	92.6	Very high	69 Å²	69	55.3 Å²	55.3	26%	0.261	28%	0.284	S	S	.	.	H	α-helix	trans	-71.9	-43.5	-178.3	-174	85.6	0	0	0	112.2	M508 W509 K510 S514 S515 I516 F624 A628	M508-W512 WeakPolarHBondContact O-CB 3.45Å; M508-W512 PolarHBondContact O-N 3.15Å; M508-W512 VanDerWaalsContact O-N 3.15Å; W509-W512 PolarHBondContact O-N 3.28Å; K510-W512 VanDerWaalsContact C-N 3.32Å; K510-W512 PolarHBondContact O-N 3.42Å; W512-S514 VanDerWaalsContact C-N 3.33Å; W512-S514 PolarHBondContact O-N 3.03Å; W512-S515 PolarHBondContact O-N 3.01Å; W512-I516 HydrophobicContact CE3-CD1 4.23Å; W512-I516 HydrophobicContact CH2-CD1 3.44Å; W512-I516 VanDerWaalsContact CH2-CD1 3.44Å; W512-I516 HydrophobicContact CH2-CG1 4.06Å; W512-I516 HydrophobicContact CZ2-CD1 4.31Å; W512-I516 HydrophobicContact CZ2-CG1 4.47Å; W512-I516 HydrophobicContact CZ3-CD1 3.4Å; W512-I516 HydrophobicContact CZ3-CG1 4.22Å; W512-I516 PolarHBondContact O-N 2.91Å; W512-F624 HydrophobicContact CB-CD1 3.79Å; W512-F624 HydrophobicContact CB-CE1 3.22Å; W512-F624 HydrophobicContact CB-CE2 4.36Å; W512-F624 HydrophobicContact CB-CZ 3.51Å; W512-F624 AromaticContact CD1-CD2 3.98Å; W512-F624 AromaticContact CD1-CE2 3.95Å; W512-F624 AromaticContact CD1-CZ 3.95Å; W512-F624 HydrophobicContact CD2-CB 3.99Å; W512-F624 AromaticContact CD2-CD1 3.4Å; W512-F624 HydrophobicContact CD2-CD1 3.4Å; W512-F624 HydrophobicContact CD2-CD2 4.41Å; W512-F624 AromaticContact CD2-CE1 3.87Å; W512-F624 HydrophobicContact CD2-CE1 3.87Å; W512-F624 AromaticContact CD2-CG 3.69Å; W512-F624 HydrophobicContact CD2-CG 3.69Å; W512-F624 HydrophobicContact CD2-CZ 4.48Å; W512-F624 AromaticContact CE2-CG 3.84Å; W512-F624 HydrophobicContact CE3-CB 4.22Å; W512-F624 AromaticContact CE3-CD1 3.58Å; W512-F624 HydrophobicContact CE3-CD1 3.58Å; W512-F624 HydrophobicContact CE3-CE1 4.22Å; W512-F624 HydrophobicContact CE3-CG 4.14Å; W512-F624 AromaticContact CG-CD1 3.48Å; W512-F624 HydrophobicContact CG-CD1 3.48Å; W512-F624 VanDerWaalsContact CG-CD1 3.48Å; W512-F624 HydrophobicContact CG-CD2 4.17Å; W512-F624 AromaticContact CG-CE1 3.42Å; W512-F624 HydrophobicContact CG-CE1 3.42Å; W512-F624 VanDerWaalsContact CG-CE1 3.42Å; W512-F624 HydrophobicContact CG-CE2 4.1Å; W512-F624 AromaticContact CG-CG 3.84Å; W512-F624 HydrophobicContact CG-CG 3.84Å; W512-F624 AromaticContact CG-CZ 3.69Å; W512-F624 HydrophobicContact CG-CZ 3.69Å; W512-F624 HydrophobicContact CH2-CB 4.07Å; W512-F624 HydrophobicContact CZ2-CB 3.85Å; W512-F624 HydrophobicContact CZ2-CG 4.41Å; W512-F624 HydrophobicContact CZ3-CB 4.25Å; W512-F624 HydrophobicContact CZ3-CD1 4.33Å; W512-A628 HydrophobicContact CZ3-CB 3.95Å
513	L	94.5	Very high	92.5	Very high	4 Å²	4	55 Å²	55	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-29.6	179.1	-73.1	176.3	0	0	0	113.2	A486 A489 I490 W509 K510 S515 I516 A628 M632	A486-L513 HydrophobicContact CB-CB 4.18Å; A486-L513 HydrophobicContact CB-CD2 3.83Å; A489-L513 HydrophobicContact CB-CD1 3.88Å; I490-L513 HydrophobicContact CD1-CB 3.68Å; I490-L513 HydrophobicContact CG1-CB 3.69Å; I490-L513 HydrophobicContact CG1-CD1 3.85Å; I490-L513 HydrophobicContact CG1-CG 4.45Å; W509-L513 HydrophobicContact CD2-CD1 3.87Å; W509-L513 HydrophobicContact CG-CD1 4.11Å; W509-L513 HydrophobicContact CZ2-CD1 3.83Å; W509-L513 VanDerWaalsContact NE1-CD1 3.28Å; W509-L513 PolarHBondContact O-N 3.14Å; K510-L513 PolarHBondContact O-N 2.83Å; L513-S515 PolarHBondContact O-N 2.89Å; L513-I516 HydrophobicContact CD2-CD1 4.17Å; L513-I516 WeakPolarHBondContact O-CG2 3.48Å; L513-A628 HydrophobicContact CD2-CB 4.27Å; L513-M632 HydrophobicContact CD2-SD 4.49Å
514	S	93.4	Very high	92.4	Very high	74 Å²	74	49.9 Å²	49.9	52%	0.517	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.4	178.8	-57.2	0	0	0	0	113.5	K510 W512	K510-S514 WeakPolarHBondContact O-CB 3.23Å; K510-S514 PolarHBondContact O-N 2.73Å; K510-S514 PolarHBondContact O-OG 3.11Å; W512-S514 VanDerWaalsContact C-N 3.33Å; W512-S514 PolarHBondContact O-N 3.03Å
515	S	86.3	Confident	92.3	Very high	92 Å²	92	44.3 Å²	44.3	64%	0.643	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.2	29.6	-178.8	70.4	0	0	0	0	111.7	N511 W512 L513	N511-S515 PolarHBondContact O-OG 3.24Å; W512-S515 PolarHBondContact O-N 3.01Å; L513-S515 PolarHBondContact O-N 2.89Å
516	I	88.2	Confident	92.2	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.087	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-72.8	143.8	-179	-162.5	167.2	0	0	0	110.5	C482 A486 W512 L513 M632	C482-I516 HydrophobicContact CB-CD1 3.93Å; C482-I516 HydrophobicContact CB-CG1 4.09Å; C482-I516 HydrophobicContact CB-CG2 3.8Å; A486-I516 HydrophobicContact CB-CG2 3.68Å; W512-I516 HydrophobicContact CE3-CD1 4.23Å; W512-I516 HydrophobicContact CH2-CD1 3.44Å; W512-I516 VanDerWaalsContact CH2-CD1 3.44Å; W512-I516 HydrophobicContact CH2-CG1 4.06Å; W512-I516 HydrophobicContact CZ2-CD1 4.31Å; W512-I516 HydrophobicContact CZ2-CG1 4.47Å; W512-I516 HydrophobicContact CZ3-CD1 3.4Å; W512-I516 HydrophobicContact CZ3-CG1 4.22Å; W512-I516 PolarHBondContact O-N 2.91Å; L513-I516 HydrophobicContact CD2-CD1 4.17Å; L513-I516 WeakPolarHBondContact O-CG2 3.48Å; I516-M632 HydrophobicContact CD1-CE 4.09Å; I516-M632 HydrophobicContact CD1-SD 4.36Å
517	S	86.4	Confident	92.1	Very high	85 Å²	85	44.6 Å²	44.6	59%	0.594	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-98.4	159.4	170.9	-49	0	0	0	0	110.7	W519	S517-W519 PolarHBondContact O-N 2.82Å
518	D	90.8	Very high	92.2	Very high	40 Å²	40	38 Å²	38	21%	0.214	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-57.1	132.9	170.9	-78.6	-2.1	0	0	0	111.2	Y270 F479 V480 R481 C482 C520	Y270-D518 WeakPolarHBondContact CE1-OD2 3.48Å; Y270-D518 PolarHBondContact OH-OD2 3.4Å; F479-D518 HydrophobicContact CB-CB 4.45Å; V480-D518 WeakPolarHBondContact O-CA 3.41Å; R481-D518 VanDerWaalsContact CA-OD1 3.27Å; R481-D518 WeakPolarHBondContact CA-OD1 3.25Å; R481-D518 IonicContact NH1-OD2 2.9Å; C482-D518 PolarHBondContact N-OD1 2.95Å; D518-C520 PolarHBondContact O-N 2.78Å
519	W	91.8	Very high	92.3	Very high	14 Å²	14	35 Å²	35	5%	0.053	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.9	-168.6	167.6	28.5	0	0	0	110.6	F479 V480 S517 V521 D585 W587 F588 R629 L633	F479-W519 CarbonylContact C-O 3.59Å; F479-W519 VanDerWaalsContact CA-O 3.3Å; F479-W519 WeakPolarHBondContact CA-O 3.08Å; V480-W519 HydrophobicContact CB-CB 4.33Å; V480-W519 HydrophobicContact CB-CE3 4.12Å; V480-W519 HydrophobicContact CG1-CE3 4.43Å; V480-W519 HydrophobicContact CG2-CE3 4.1Å; V480-W519 PolarHBondContact N-O 3.1Å; V480-W519 PolarHBondContact O-N 2.7Å; S517-W519 PolarHBondContact O-N 2.82Å; W519-V521 HydrophobicContact CD2-CG1 3.55Å; W519-V521 HydrophobicContact CE3-CG1 3.92Å; W519-V521 HydrophobicContact CG-CG1 3.99Å; W519-V521 HydrophobicContact CH2-CG1 4.37Å; W519-V521 HydrophobicContact CZ2-CG1 3.95Å; W519-V521 HydrophobicContact CZ3-CG1 4.32Å; W519-V521 PolarHBondContact O-N 3.26Å; W519-D585 HydrophobicContact CZ2-CB 4.36Å; W519-D585 PolarHBondContact NE1-OD2 3.5Å; W519-W587 HydrophobicContact CH2-CB 4.41Å; W519-W587 HydrophobicContact CZ2-CB 3.83Å; W519-F588 VanDerWaalsContact CH2-CA 3.45Å; W519-F588 HydrophobicContact CH2-CB 3.91Å; W519-F588 AromaticContact CH2-CD2 4Å; W519-F588 HydrophobicContact CH2-CD2 4Å; W519-F588 HydrophobicContact CH2-CG 4.43Å; W519-F588 HydrophobicContact CZ2-CB 4.03Å; W519-F588 HydrophobicContact CZ3-CD2 4.1Å; W519-R629 HydrophobicContact CH2-CG 4.36Å; W519-R629 HydrophobicContact CZ3-CG 4.43Å; W519-L633 HydrophobicContact CZ3-CD1 4.15Å
520	C	92.2	Very high	92.2	Very high	21 Å²	21	38.6 Å²	38.6	14%	0.142	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	112.3	170.8	-178.6	0	0	0	0	110.7	F479 D518 R523	F479-C520 HydrophobicContact CD1-CB 3.9Å; F479-C520 HydrophobicContact CE1-CB 3.63Å; F479-C520 HydrophobicContact CZ-CB 4.4Å; D518-C520 PolarHBondContact O-N 2.78Å; C520-R523 PolarHBondContact O-NH1 3.07Å; C520-R523 PolarHBondContact O-NH2 3.34Å
521	V	93.1	Very high	92.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.			trans	-102.4	-9.1	-176.6	-71.2	0	0	0	0	114.1	W478 V480 W519 L584 D585 F588	W478-V521 HydrophobicContact CB-CG2 3.9Å; W478-V521 WeakPolarHBondContact O-CG2 3.33Å; W478-V521 PolarHBondContact O-N 3.13Å; V480-V521 HydrophobicContact CB-CG1 4.47Å; V480-V521 HydrophobicContact CG2-CB 4.46Å; V480-V521 HydrophobicContact CG2-CG1 3.5Å; V480-V521 VanDerWaalsContact CG2-CG1 3.5Å; V480-V521 HydrophobicContact CG2-CG2 4.12Å; W519-V521 HydrophobicContact CD2-CG1 3.55Å; W519-V521 HydrophobicContact CE3-CG1 3.92Å; W519-V521 HydrophobicContact CG-CG1 3.99Å; W519-V521 HydrophobicContact CH2-CG1 4.37Å; W519-V521 HydrophobicContact CZ2-CG1 3.95Å; W519-V521 HydrophobicContact CZ3-CG1 4.32Å; W519-V521 PolarHBondContact O-N 3.26Å; V521-L584 HydrophobicContact CB-CD2 4.29Å; V521-L584 HydrophobicContact CG2-CD2 4.32Å; V521-L584 CarbonylContact O-C 3.57Å; V521-L584 VanDerWaalsContact O-CA 3.29Å; V521-L584 WeakPolarHBondContact O-CA 3.49Å; V521-D585 PolarHBondContact O-N 3.29Å; V521-F588 HydrophobicContact CG1-CD2 3.9Å
522	S	92.8	Very high	92.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144	177.2	45.8	0	0	0	0	112.9	Q477 W478 V583	Q477-S522 WeakPolarHBondContact CA-OG 3.32Å; Q477-S522 VanDerWaalsContact CB-OG 3.29Å; Q477-S522 WeakPolarHBondContact CB-OG 3.24Å; Q477-S522 PolarHBondContact OE1-O 3.42Å; Q477-S522 PolarHBondContact OE1-OG 2.87Å; W478-S522 PolarHBondContact N-OG 3.48Å; S522-V583 CarbonylContact C-O 3.59Å
523	R	91.8	Very high	92.2	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.7	-179	-59.9	-69.7	178.3	-89.9	-3.9	110	A285 C520 L525 D582 V583 D585	A285-R523 WeakPolarHBondContact O-CD 3.45Å; C520-R523 PolarHBondContact O-NH1 3.07Å; C520-R523 PolarHBondContact O-NH2 3.34Å; R523-L525 HydrophobicContact CB-CD1 3.81Å; R523-L525 HydrophobicContact CB-CG 3.95Å; R523-L525 HydrophobicContact CG-CD1 4.31Å; R523-L525 PolarHBondContact O-N 3.49Å; R523-D582 WeakPolarHBondContact O-CA 3.32Å; R523-V583 HydrophobicContact CB-CG2 4.02Å; R523-V583 PolarHBondContact N-O 2.93Å; R523-V583 PolarHBondContact O-N 3.02Å; R523-D585 HydrophobicContact CG-CB 4.42Å; R523-D585 IonicContact CZ-OD1 3.77Å; R523-D585 IonicContact CZ-OD2 3.96Å; R523-D585 IonicContact NE-OD1 2.93Å; R523-D585 IonicContact NH2-OD1 2.85Å; R523-D585 IonicContact NH2-OD2 3.15Å; R523-D585 PolarHBondContact NH2-OD2 3.39Å
524	Q	91.9	Very high	92.1	Very high	36 Å²	36	28.2 Å²	28.2	17%	0.168	16%	0.162	C	C	.	.			trans	-88.5	46.4	-178.8	-64.2	63.5	54.6	0	0	110.7	W278 Q283 S284 D582	W278-Q524 HydrophobicContact CH2-CB 4.46Å; W278-Q524 HydrophobicContact CH2-CG 3.99Å; W278-Q524 HydrophobicContact CZ3-CG 4.18Å; Q283-Q524 WeakPolarHBondContact O-CB 3.46Å; S284-Q524 PolarHBondContact OG-N 2.67Å; Q524-D582 WeakPolarHBondContact CG-OD1 3.3Å; Q524-D582 PolarHBondContact NE2-OD1 2.94Å; Q524-D582 PolarHBondContact NE2-OD2 3.35Å
525	L	91	Very high	91.9	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.042	15%	0.147	C	C	.	.			trans	-101.3	161	-179	-56.8	168	0	0	0	109.8	I187 R523 V583	I187-L525 HydrophobicContact CB-CD1 3.65Å; I187-L525 HydrophobicContact CB-CD2 4.19Å; I187-L525 HydrophobicContact CD1-CD2 4.33Å; I187-L525 HydrophobicContact CG1-CD1 4.35Å; I187-L525 HydrophobicContact CG1-CD2 3.99Å; R523-L525 HydrophobicContact CB-CD1 3.81Å; R523-L525 HydrophobicContact CB-CG 3.95Å; R523-L525 HydrophobicContact CG-CD1 4.31Å; R523-L525 PolarHBondContact O-N 3.49Å; L525-V583 HydrophobicContact CB-CG2 3.72Å; L525-V583 HydrophobicContact CD1-CG2 4.42Å; L525-V583 HydrophobicContact CG-CG2 4.5Å
526	W	92.2	Very high	92	Very high	57 Å²	57	22.6 Å²	22.6	22%	0.216	12%	0.118	C	C	.	.	S	Bend	trans	-89.1	-31.7	171.7	-69.6	-4.3	0	0	0	111.3	R205 F208 R210 F213 L214	R205-W526 HydrophobicContact CG-CD2 4.22Å; R205-W526 HydrophobicContact CG-CE3 3.59Å; R205-W526 HydrophobicContact CG-CH2 3.89Å; R205-W526 HydrophobicContact CG-CZ2 4.47Å; R205-W526 HydrophobicContact CG-CZ3 3.41Å; R205-W526 VanDerWaalsContact CG-CZ3 3.41Å; F208-W526 WeakPolarHBondContact O-CH2 3.42Å; R210-W526 HydrophobicContact CB-CD2 4.31Å; R210-W526 HydrophobicContact CB-CE3 4.39Å; R210-W526 HydrophobicContact CG-CB 4.24Å; R210-W526 HydrophobicContact CG-CD2 4.05Å; R210-W526 HydrophobicContact CG-CE3 4.38Å; R210-W526 HydrophobicContact CG-CG 4Å; F213-W526 HydrophobicContact CB-CE3 3.63Å; F213-W526 HydrophobicContact CB-CZ3 3.69Å; F213-W526 HydrophobicContact CD1-CB 4.23Å; F213-W526 AromaticContact CD1-CE3 3.62Å; F213-W526 HydrophobicContact CD1-CE3 3.62Å; F213-W526 HydrophobicContact CD1-CZ3 4.41Å; F213-W526 HydrophobicContact CE1-CE3 4.48Å; F213-W526 AromaticContact CG-CE3 3.71Å; F213-W526 HydrophobicContact CG-CE3 3.71Å; F213-W526 HydrophobicContact CG-CZ3 4.04Å; L214-W526 WeakPolarHBondContact CD2-O 3.48Å
527	W	94.4	Very high	91.9	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	13%	0.133	C	C	.	.	S	Bend	trans	-94.7	118.8	179.5	-175.1	-113.6	0	0	0	112.5	H184 Q190 L214 V217 W218 F246 M248	H184-W527 HydrophobicContact CB-CZ2 4.25Å; H184-W527 PolarHBondContact O-NE1 2.67Å; Q190-W527 HydrophobicContact CB-CB 4.32Å; Q190-W527 VanDerWaalsContact OE1-N 3.16Å; L214-W527 HydrophobicContact CD2-CE3 3.64Å; L214-W527 HydrophobicContact CD2-CZ3 4.24Å; V217-W527 HydrophobicContact CB-CD2 4.27Å; V217-W527 HydrophobicContact CB-CE3 3.93Å; V217-W527 HydrophobicContact CB-CZ3 4.16Å; V217-W527 HydrophobicContact CG1-CB 4.48Å; V217-W527 HydrophobicContact CG1-CD2 3.34Å; V217-W527 HydrophobicContact CG1-CE3 3.46Å; V217-W527 VanDerWaalsContact CG1-CE3 3.46Å; V217-W527 HydrophobicContact CG1-CG 3.82Å; V217-W527 HydrophobicContact CG1-CH2 4Å; V217-W527 HydrophobicContact CG1-CZ2 3.88Å; V217-W527 HydrophobicContact CG1-CZ3 3.79Å; W218-W527 AromaticContact CD1-CZ3 3.77Å; W218-W527 AromaticContact CD2-CH2 3.72Å; W218-W527 HydrophobicContact CD2-CH2 3.72Å; W218-W527 HydrophobicContact CD2-CZ3 4.08Å; W218-W527 AromaticContact CE2-CH2 3.58Å; W218-W527 AromaticContact CE2-CZ3 3.72Å; W218-W527 HydrophobicContact CE3-CH2 4.14Å; W218-W527 HydrophobicContact CG-CH2 4.12Å; W218-W527 HydrophobicContact CG-CZ3 4.11Å; W218-W527 HydrophobicContact CH2-CH2 4.31Å; W218-W527 AromaticContact CZ2-CH2 3.9Å; W218-W527 HydrophobicContact CZ2-CH2 3.9Å; W218-W527 HydrophobicContact CZ2-CZ3 4.27Å; W218-W527 HydrophobicContact CZ3-CH2 4.42Å; W218-W527 AromaticContact NE1-CH2 3.9Å; W218-W527 AromaticContact NE1-CZ3 3.53Å; F246-W527 HydrophobicContact CE1-CZ2 4.42Å; F246-W527 HydrophobicContact CZ-CZ2 4.01Å; M248-W527 HydrophobicContact CE-CE3 4.48Å; M248-W527 HydrophobicContact CE-CH2 4.44Å; M248-W527 HydrophobicContact CE-CZ3 4.37Å; M248-W527 HydrophobicContact SD-CD2 4.25Å; M248-W527 HydrophobicContact SD-CH2 4.13Å; M248-W527 HydrophobicContact SD-CZ2 3.77Å
528	G	94.7	Very high	91.8	Very high	10 Å²	10	23.5 Å²	23.5	10%	0.103	11%	0.114	C	C	.	.	S	Bend	trans	153.3	-177.9	179.1	0	0	0	0	0	111.5	M248 Q530	M248-G528 WeakPolarHBondContact CE-O 3.36Å; G528-Q530 PolarHBondContact O-N 3.37Å
529	H	95.6	Very high	91	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.056	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-77.1	119.1	173.1	-62.3	-88.7	0	0	0	109.6	T247 S253 V256 I531 V583 L584 S589	T247-H529 PolarHBondContact O-CE1 3.31Å; T247-H529 PolarHBondContact O-NE2 3.13Å; T247-H529 VanDerWaalsContact O-NE2 3.07Å; S253-H529 PolarHBondContact OG-CE1 3.34Å; S253-H529 PolarHBondContact OG-ND1 3.32Å; V256-H529 HydrophobicContact CG1-CB 3.97Å; H529-I531 PolarHBondContact O-N 3.28Å; H529-V583 CarbonylContact O-C 3.6Å; H529-V583 WeakPolarHBondContact O-CA 3.45Å; H529-V583 WeakPolarHBondContact O-CB 3.31Å; H529-L584 HydrophobicContact CB-CB 4.34Å; H529-L584 HydrophobicContact CB-CD1 4.19Å; H529-L584 PolarHBondContact O-N 2.68Å; H529-S589 WeakPolarHBondContact NE2-CB 3.38Å; H529-S589 PolarHBondContact NE2-OG 3.39Å
530	Q	93.3	Very high	90	Very high	78 Å²	78	31.9 Å²	31.9	36%	0.364	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-60.7	137.6	173.8	-170	168.9	11.7	0	0	110.5	G528 S579 D580	G528-Q530 PolarHBondContact O-N 3.37Å; Q530-S579 PolarHBondContact NE2-O 2.76Å; Q530-S579 VanDerWaalsContact NE2-O 3.09Å; Q530-S579 PolarHBondContact NE2-OG 2.91Å; Q530-S579 PolarHBondContact OE1-OG 3.21Å; Q530-D580 WeakPolarHBondContact CG-O 3.29Å; Q530-D580 PolarHBondContact NE2-O 3.34Å
531	I	94.7	Very high	88.8	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-66	126.4	179.5	-65	178.4	0	0	0	108.9	F260 W478 H529 A533 D580 D582 L584	F260-I531 HydrophobicContact CD2-CG2 4.49Å; F260-I531 HydrophobicContact CE1-CG2 3.97Å; F260-I531 HydrophobicContact CE2-CG2 3.7Å; F260-I531 HydrophobicContact CZ-CG2 3.39Å; W478-I531 HydrophobicContact CG-CD1 4.22Å; H529-I531 PolarHBondContact O-N 3.28Å; I531-A533 HydrophobicContact CG2-CB 3.79Å; I531-A533 PolarHBondContact O-N 3.03Å; I531-D580 HydrophobicContact CB-CB 4.2Å; I531-D580 HydrophobicContact CG2-CB 4.46Å; I531-D582 HydrophobicContact CD1-CB 3.79Å; I531-D582 PolarHBondContact N-O 3.25Å; I531-D582 VanDerWaalsContact N-O 3.14Å; I531-L584 HydrophobicContact CD1-CD2 4.32Å; I531-L584 HydrophobicContact CG1-CD2 3.8Å; I531-L584 HydrophobicContact CG1-CG 3.83Å
532	P	94.2	Very high	87.2	Confident	8 Å²	8	35.9 Å²	35.9	5%	0.052	19%	0.189	C	C	.	.			trans	-80.8	55	-178.7	35.4	-36.9	0	0	0	111.4	T257 F260 W551 G552	T257-P532 HydrophobicContact CG2-CB 3.84Å; T257-P532 HydrophobicContact CG2-CG 4.07Å; F260-P532 HydrophobicContact CB-CG 3.83Å; F260-P532 HydrophobicContact CD1-CG 3.44Å; F260-P532 VanDerWaalsContact CD1-CG 3.44Å; F260-P532 HydrophobicContact CE1-CG 4.15Å; F260-P532 HydrophobicContact CG-CG 3.75Å; P532-W551 VanDerWaalsContact O-CA 3.3Å; P532-W551 WeakPolarHBondContact O-CA 3.42Å; P532-W551 WeakPolarHBondContact O-CB 3.42Å; P532-G552 PolarHBondContact O-N 2.97Å; P532-G552 VanDerWaalsContact O-N 3.14Å
533	A	93.3	Very high	85.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.4	176.7	0	0	0	0	0	110.8	F260 W478 I531 W549 V550 S579 D580	F260-A533 HydrophobicContact CE1-CB 4.41Å; W478-A533 HydrophobicContact CH2-CB 4.06Å; W478-A533 HydrophobicContact CZ2-CB 3.45Å; W478-A533 VanDerWaalsContact CZ2-CB 3.45Å; I531-A533 HydrophobicContact CG2-CB 3.79Å; I531-A533 PolarHBondContact O-N 3.03Å; A533-W549 HydrophobicContact CB-CE3 4.16Å; A533-V550 CarbonylContact C-O 3.58Å; A533-V550 VanDerWaalsContact CA-O 3.29Å; A533-V550 WeakPolarHBondContact CA-O 3.46Å; A533-S579 WeakPolarHBondContact O-CA 3.49Å; A533-S579 WeakPolarHBondContact O-CB 3.29Å; A533-D580 PolarHBondContact O-N 2.89Å
534	Y	91.3	Very high	83.5	Confident	33 Å²	33	51.2 Å²	51.2	13%	0.129	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.5	-170.3	-58.2	-95.4	0	0	0	109.8	W549 V550 E555 A558 L575	Y534-W549 VanDerWaalsContact C-CE3 3.44Å; Y534-W549 WeakPolarHBondContact O-CA 3Å; Y534-V550 PolarHBondContact N-O 2.63Å; Y534-V550 PolarHBondContact O-N 3.45Å; Y534-E555 HydrophobicContact CE1-CB 4.13Å; Y534-E555 HydrophobicContact CE1-CG 4.28Å; Y534-E555 PolarHBondContact OH-N 2.71Å; Y534-A558 HydrophobicContact CD2-CB 3.22Å; Y534-A558 HydrophobicContact CE2-CB 3.62Å; Y534-A558 HydrophobicContact CG-CB 3.76Å; Y534-L575 HydrophobicContact CD1-CD1 4.19Å; Y534-L575 HydrophobicContact CG-CD1 4.26Å
535	Q	89.3	Confident	82	Confident	40 Å²	40	54.1 Å²	54.1	19%	0.187	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	129	172.5	-169.5	177.6	25.9	0	0	109.2	L548 W549 L575 R576	Q535-L548 CarbonylContact C-O 3.57Å; Q535-L548 WeakPolarHBondContact CA-O 3.41Å; Q535-W549 HydrophobicContact CB-CD2 4.35Å; Q535-W549 HydrophobicContact CB-CE3 4.19Å; Q535-W549 HydrophobicContact CB-CH2 3.92Å; Q535-W549 HydrophobicContact CB-CZ2 4.08Å; Q535-W549 HydrophobicContact CB-CZ3 3.97Å; Q535-W549 HydrophobicContact CG-CZ2 4.35Å; Q535-L575 WeakPolarHBondContact O-CA 3.15Å; Q535-R576 HydrophobicContact CB-CB 4.49Å; Q535-R576 PolarHBondContact O-N 2.98Å; Q535-R576 VanDerWaalsContact O-N 3.08Å
536	V	88.8	Confident	80.8	Confident	8 Å²	8	61.7 Å²	61.7	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.1	-177.8	-177.8	0	0	0	0	109.4	L538 L548 V550 A562 Y566 I573 L575	V536-L538 HydrophobicContact CG1-CD2 4.01Å; V536-L538 HydrophobicContact CG1-CG 4.47Å; V536-L548 HydrophobicContact CB-CB 4Å; V536-L548 PolarHBondContact N-O 3.22Å; V536-V550 HydrophobicContact CG2-CB 4.27Å; V536-V550 HydrophobicContact CG2-CG1 3.89Å; V536-V550 HydrophobicContact CG2-CG2 3.55Å; V536-A562 HydrophobicContact CG1-CB 4.1Å; V536-A562 HydrophobicContact CG2-CB 3.79Å; V536-Y566 HydrophobicContact CB-CE2 4.1Å; V536-Y566 HydrophobicContact CG1-CD2 4.02Å; V536-Y566 HydrophobicContact CG1-CE2 3.91Å; V536-Y566 HydrophobicContact CG2-CE2 4.03Å; V536-I573 HydrophobicContact CG1-CG2 4Å; V536-L575 HydrophobicContact CG2-CD2 3.85Å
537	Q	85.9	Confident	80.1	Confident	84 Å²	84	62.6 Å²	62.6	39%	0.393	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.5	169.1	-171.9	173.4	-7.9	0	0	108.9	S541 T574	Q537-S541 WeakPolarHBondContact CG-OG 3.45Å; Q537-T574 PolarHBondContact N-O 3.2Å; Q537-T574 PolarHBondContact O-N 3.43Å
538	L	84.1	Confident	79.7	Confident	37 Å²	37	64.5 Å²	64.5	19%	0.194	34%	0.339	C	S	.	.			trans	-90.4	156.7	179.2	-62.1	178.1	0	0	0	110.1	V536 N540 S541 L548 Y566 V568	V536-L538 HydrophobicContact CG1-CD2 4.01Å; V536-L538 HydrophobicContact CG1-CG 4.47Å; L538-N540 PolarHBondContact O-N 2.86Å; L538-S541 PolarHBondContact N-OG 3.09Å; L538-S541 PolarHBondContact O-N 2.93Å; L538-S541 PolarHBondContact O-OG 2.94Å; L538-L548 HydrophobicContact CD1-CD1 3.68Å; L538-L548 HydrophobicContact CG-CD1 3.99Å; L538-Y566 HydrophobicContact CD1-CG 4.38Å; L538-Y566 HydrophobicContact CD2-CD2 4.27Å; L538-Y566 HydrophobicContact CD2-CG 4.3Å; L538-V568 HydrophobicContact CD2-CG2 4.17Å
539	P	74.2	Confident	79.5	Confident	81 Å²	81	65.3 Å²	65.3	53%	0.526	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.5	-175.7	-26.9	34.3	0	0	0	115.6	H572	P539-H572 WeakPolarHBondContact CD-O 3.47Å; P539-H572 HydrophobicContact CG-CB 3.82Å; P539-H572 WeakPolarHBondContact CG-O 3.2Å
540	N	71.1	Confident	79.3	Confident	150 Å²	150	65 Å²	65	80%	0.802	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	9.7	-175.5	-64.3	-24.1	0	0	0	113.7	L538 T542	L538-N540 PolarHBondContact O-N 2.86Å; N540-T542 PolarHBondContact O-N 3.46Å
541	S	66.8	Low	79.4	Confident	31 Å²	31	63.9 Å²	63.9	22%	0.217	33%	0.33	C	S	.	.			trans	-71.1	125.9	-176.3	56	0	0	0	0	111.1	Q537 L538 E545	Q537-S541 WeakPolarHBondContact CG-OG 3.45Å; L538-S541 PolarHBondContact N-OG 3.09Å; L538-S541 PolarHBondContact O-N 2.93Å; L538-S541 PolarHBondContact O-OG 2.94Å; S541-E545 WeakPolarHBondContact CA-OE2 3.42Å; S541-E545 WeakPolarHBondContact CB-OE2 3.3Å
542	T	60.6	Low	79.3	Confident	74 Å²	74	63.9 Å²	63.9	45%	0.454	33%	0.33	S	S	.	.			trans	-76.8	158.6	171.6	64.1	0	0	0	0	110.7	N540 E544 E545	N540-T542 PolarHBondContact O-N 3.46Å; T542-E544 PolarHBondContact O-N 3.39Å; T542-E545 PolarHBondContact O-N 3.42Å
543	P	55.3	Low	79.3	Confident	141 Å²	141	68.7 Å²	68.7	92%	0.916	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.3	178.4	-22.1	32.9	0	0	0	114.9
544	E	51.1	Low	79.3	Confident	185 Å²	185	71.3 Å²	71.3	86%	0.864	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.8	-175.5	-66.4	168.4	174.6	0	0	112.8	T542	T542-E544 PolarHBondContact O-N 3.39Å
545	E	60.2	Low	79.2	Confident	98 Å²	98	74.5 Å²	74.5	46%	0.458	38%	0.382	S	S	.	.	S	Bend	trans	-71.6	153	177.5	-80.6	176.2	-164.7	0	0	113.1	S541 T542	S541-E545 WeakPolarHBondContact CA-OE2 3.42Å; S541-E545 WeakPolarHBondContact CB-OE2 3.3Å; T542-E545 PolarHBondContact O-N 3.42Å
546	E	66.4	Low	79.3	Confident	167 Å²	167	76.9 Å²	76.9	78%	0.78	39%	0.393	S	S	*	.			trans	-59.7	136.1	178.8	-147.5	174.9	-161.3	0	0	110.8	L548	E546-L548 PolarHBondContact O-N 3.24Å
547	E	76.3	Confident	79.6	Confident	75 Å²	75	78.2 Å²	78.2	35%	0.35	40%	0.398	S	S	.	.			trans	-60.1	113.9	-178.5	-65.1	172.4	-156.5	0	0	111.4	R271 K476 W549	R271-E547 IonicContact NE-OE2 2.93Å; R271-E547 IonicContact NH2-OE2 2.98Å; K476-E547 IonicContact NZ-OE1 3.36Å; K476-E547 PolarHBondContact NZ-OE1 3.22Å; E547-W549 PolarHBondContact OE2-NE1 3.26Å
548	L	87	Confident	79.9	Confident	41 Å²	41	74.2 Å²	74.2	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.7	177.7	-60.3	-177.8	0	0	0	110.4	Q535 V536 L538 E546 Y566	Q535-L548 CarbonylContact C-O 3.57Å; Q535-L548 WeakPolarHBondContact CA-O 3.41Å; V536-L548 HydrophobicContact CB-CB 4Å; V536-L548 PolarHBondContact N-O 3.22Å; L538-L548 HydrophobicContact CD1-CD1 3.68Å; L538-L548 HydrophobicContact CG-CD1 3.99Å; E546-L548 PolarHBondContact O-N 3.24Å; L548-Y566 HydrophobicContact CB-CE2 4.41Å; L548-Y566 HydrophobicContact CD1-CD1 4.42Å; L548-Y566 HydrophobicContact CD1-CE1 4.07Å; L548-Y566 HydrophobicContact CD2-CE1 3.94Å; L548-Y566 HydrophobicContact CG-CE1 4.41Å
549	W	89.6	Confident	80.3	Confident	28 Å²	28	74.9 Å²	74.9	11%	0.106	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.2	-179.6	-68.4	89.4	0	0	0	112.1	W478 A533 Y534 Q535 E547 K565 Y566 D580	W478-W549 HydrophobicContact CZ2-CE3 4.49Å; A533-W549 HydrophobicContact CB-CE3 4.16Å; Y534-W549 VanDerWaalsContact C-CE3 3.44Å; Y534-W549 WeakPolarHBondContact O-CA 3Å; Q535-W549 HydrophobicContact CB-CD2 4.35Å; Q535-W549 HydrophobicContact CB-CE3 4.19Å; Q535-W549 HydrophobicContact CB-CH2 3.92Å; Q535-W549 HydrophobicContact CB-CZ2 4.08Å; Q535-W549 HydrophobicContact CB-CZ3 3.97Å; Q535-W549 HydrophobicContact CG-CZ2 4.35Å; E547-W549 PolarHBondContact OE2-NE1 3.26Å; W549-K565 PolarHBondContact O-NZ 3.3Å; W549-K565 VanDerWaalsContact O-NZ 3.11Å; W549-Y566 PolarHBondContact O-OH 3.23Å; W549-D580 HydrophobicContact CH2-CB 3.9Å; W549-D580 HydrophobicContact CZ3-CB 3.65Å
550	V	92.4	Very high	81.1	Confident	4 Å²	4	75.9 Å²	75.9	2%	0.024	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.7	168.5	-65.4	0	0	0	0	109.4	A533 Y534 V536 A558 A562 K565 Y566 L575	A533-V550 CarbonylContact C-O 3.58Å; A533-V550 VanDerWaalsContact CA-O 3.29Å; A533-V550 WeakPolarHBondContact CA-O 3.46Å; Y534-V550 PolarHBondContact N-O 2.63Å; Y534-V550 PolarHBondContact O-N 3.45Å; V536-V550 HydrophobicContact CG2-CB 4.27Å; V536-V550 HydrophobicContact CG2-CG1 3.89Å; V536-V550 HydrophobicContact CG2-CG2 3.55Å; V550-A558 HydrophobicContact CG2-CB 4.05Å; V550-A558 WeakPolarHBondContact CG2-O 3.49Å; V550-A562 HydrophobicContact CG1-CB 3.92Å; V550-A562 HydrophobicContact CG2-CB 4.17Å; V550-K565 HydrophobicContact CG1-CD 4.15Å; V550-Y566 HydrophobicContact CG1-CE2 4.09Å; V550-L575 HydrophobicContact CG2-CD2 4.44Å
551	W	94.3	Very high	82.2	Confident	56 Å²	56	71.4 Å²	71.4	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.5	177.9	55.1	92.5	0	0	0	110	F260 C264 D265 P532 R561	F260-W551 HydrophobicContact CE1-CB 4.06Å; C264-W551 HydrophobicContact CB-CD2 3.47Å; C264-W551 VanDerWaalsContact CB-CD2 3.47Å; C264-W551 HydrophobicContact CB-CE3 4.15Å; C264-W551 HydrophobicContact CB-CG 3.68Å; C264-W551 HydrophobicContact CB-CH2 4.35Å; C264-W551 HydrophobicContact CB-CZ2 3.72Å; D265-W551 PolarHBondContact OD1-NE1 3.33Å; P532-W551 VanDerWaalsContact O-CA 3.3Å; P532-W551 WeakPolarHBondContact O-CA 3.42Å; P532-W551 WeakPolarHBondContact O-CB 3.42Å; W551-R561 VanDerWaalsContact CD1-NH1 3.34Å; W551-R561 WeakPolarHBondContact O-CD 3.26Å; W551-R561 PolarHBondContact O-NE 3.47Å
552	G	93.8	Very high	83.3	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.339	C	S	.	.			trans	-174.5	158.1	-179.4	0	0	0	0	0	112.4	P532 S554	P532-G552 PolarHBondContact O-N 2.97Å; P532-G552 VanDerWaalsContact O-N 3.14Å; G552-S554 PolarHBondContact O-N 3.05Å
553	R	93.6	Very high	84.8	Confident	109 Å²	109	67 Å²	67	41%	0.411	32%	0.322	S	S	.	.	S	Bend	trans	-70.5	-22.9	176.8	-59.1	162.4	179.1	84	5.1	112.1	T257 E258 V261 E557	T257-R553 HydrophobicContact CG2-CB 4.38Å; T257-R553 HydrophobicContact CG2-CG 4.49Å; E258-R553 VanDerWaalsContact CD-NH2 3.34Å; E258-R553 IonicContact OE1-CZ 2.72Å; E258-R553 IonicContact OE1-NE 3.98Å; E258-R553 IonicContact OE1-NH2 3.68Å; E258-R553 PolarHBondContact OE1-NH2 3.3Å; E258-R553 IonicContact OE2-CZ 2.69Å; E258-R553 VanDerWaalsContact OE2-CZ 3.31Å; E258-R553 IonicContact OE2-NE 3Å; E258-R553 PolarHBondContact OE2-NE 2.54Å; E258-R553 IonicContact OE2-NH2 3.66Å; E258-R553 PolarHBondContact OE2-NH2 2.73Å; E258-R553 VanDerWaalsContact OE2-NH2 3.15Å; V261-R553 HydrophobicContact CG2-CG 4.27Å; R553-E557 WeakPolarHBondContact CB-OE2 3.29Å; R553-E557 WeakPolarHBondContact CD-OE2 3.35Å; R553-E557 WeakPolarHBondContact CG-OE2 3.3Å; R553-E557 PolarHBondContact N-OE2 3.1Å; R553-E557 IonicContact NH1-OE1 3.33Å; R553-E557 PolarHBondContact NH1-OE1 3.33Å; R553-E557 IonicContact NH1-OE2 3.71Å; R553-E557 PolarHBondContact NH1-OE2 2.82Å
554	S	92.4	Very high	86.6	Confident	55 Å²	55	66.3 Å²	66.3	39%	0.385	32%	0.315	S	S	.	.	S	Bend	trans	-143.1	163.6	175.8	68	0	0	0	0	109.8	G552 E556 E557 A558	G552-S554 PolarHBondContact O-N 3.05Å; S554-E556 PolarHBondContact O-N 3.46Å; S554-E557 PolarHBondContact O-N 3.5Å; S554-E557 PolarHBondContact OG-N 2.74Å; S554-A558 PolarHBondContact O-N 2.85Å
555	E	90.6	Very high	88.4	Confident	101 Å²	101	63.1 Å²	63.1	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-36.5	173.6	-171.1	-173	144.3	0	0	111.9	Y534 A558 R559 L575	Y534-E555 HydrophobicContact CE1-CB 4.13Å; Y534-E555 HydrophobicContact CE1-CG 4.28Å; Y534-E555 PolarHBondContact OH-N 2.71Å; E555-A558 PolarHBondContact O-N 3.14Å; E555-R559 WeakPolarHBondContact O-CB 3.2Å; E555-R559 PolarHBondContact O-N 2.94Å; E555-R559 IonicContact OE1-CZ 3.54Å; E555-R559 IonicContact OE1-NH2 3.5Å; E555-R559 PolarHBondContact OE1-NH2 2.96Å; E555-L575 HydrophobicContact CG-CD1 3.67Å; E555-L575 WeakPolarHBondContact O-CD1 3.21Å
556	E	91.9	Very high	89.8	Confident	89 Å²	89	61.1 Å²	61.1	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-67.2	-43.3	178.2	-178.5	54.7	-159	0	0	112.1	S554 A558 R559 Q560	S554-E556 PolarHBondContact O-N 3.46Å; E556-A558 VanDerWaalsContact C-N 3.32Å; E556-A558 PolarHBondContact O-N 3.08Å; E556-R559 PolarHBondContact O-N 3.22Å; E556-R559 IonicContact OE2-CZ 2.78Å; E556-R559 IonicContact OE2-NH1 3.88Å; E556-R559 PolarHBondContact OE2-NH1 3.04Å; E556-Q560 WeakPolarHBondContact O-CG 3.39Å; E556-Q560 PolarHBondContact O-N 2.74Å; E556-Q560 PolarHBondContact OE1-NE2 3.19Å
557	E	93.5	Very high	90.8	Very high	36 Å²	36	56.6 Å²	56.6	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-42.8	174.1	-172.4	-172.3	172.3	0	0	111	R553 S554 R559 Q560 R561	R553-E557 WeakPolarHBondContact CB-OE2 3.29Å; R553-E557 WeakPolarHBondContact CD-OE2 3.35Å; R553-E557 WeakPolarHBondContact CG-OE2 3.3Å; R553-E557 PolarHBondContact N-OE2 3.1Å; R553-E557 IonicContact NH1-OE1 3.33Å; R553-E557 PolarHBondContact NH1-OE1 3.33Å; R553-E557 IonicContact NH1-OE2 3.71Å; R553-E557 PolarHBondContact NH1-OE2 2.82Å; S554-E557 PolarHBondContact O-N 3.5Å; S554-E557 PolarHBondContact OG-N 2.74Å; E557-R559 PolarHBondContact O-N 3.39Å; E557-Q560 PolarHBondContact O-N 3.4Å; E557-R561 WeakPolarHBondContact O-CB 3.26Å; E557-R561 VanDerWaalsContact O-CG 3.31Å; E557-R561 WeakPolarHBondContact O-CG 3.2Å; E557-R561 PolarHBondContact O-N 3.43Å; E557-R561 IonicContact OE1-CZ 3.85Å; E557-R561 IonicContact OE1-NE 3Å; E557-R561 PolarHBondContact OE1-NE 3.15Å; E557-R561 IonicContact OE1-NH2 3.05Å; E557-R561 PolarHBondContact OE1-NH2 3.34Å
558	A	92.3	Very high	91.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-42.4	177.8	0	0	0	0	0	112.1	Y534 V550 S554 E555 E556 R561 A562 L575	Y534-A558 HydrophobicContact CD2-CB 3.22Å; Y534-A558 HydrophobicContact CE2-CB 3.62Å; Y534-A558 HydrophobicContact CG-CB 3.76Å; V550-A558 HydrophobicContact CG2-CB 4.05Å; V550-A558 WeakPolarHBondContact CG2-O 3.49Å; S554-A558 PolarHBondContact O-N 2.85Å; E555-A558 PolarHBondContact O-N 3.14Å; E556-A558 VanDerWaalsContact C-N 3.32Å; E556-A558 PolarHBondContact O-N 3.08Å; A558-R561 PolarHBondContact O-N 2.97Å; A558-A562 WeakPolarHBondContact O-CB 3.39Å; A558-A562 PolarHBondContact O-N 3.32Å; A558-L575 HydrophobicContact CB-CD1 4.07Å
559	R	92.1	Very high	91.3	Very high	52 Å²	52	55.8 Å²	55.8	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-44.1	176.3	-174.5	-176.1	-70.2	103.8	7.5	111.6	E555 E556 E557 A562 A563 P570 I573 L575	E555-R559 WeakPolarHBondContact O-CB 3.2Å; E555-R559 PolarHBondContact O-N 2.94Å; E555-R559 IonicContact OE1-CZ 3.54Å; E555-R559 IonicContact OE1-NH2 3.5Å; E555-R559 PolarHBondContact OE1-NH2 2.96Å; E556-R559 PolarHBondContact O-N 3.22Å; E556-R559 IonicContact OE2-CZ 2.78Å; E556-R559 IonicContact OE2-NH1 3.88Å; E556-R559 PolarHBondContact OE2-NH1 3.04Å; E557-R559 PolarHBondContact O-N 3.39Å; R559-A562 PolarHBondContact O-N 2.97Å; R559-A563 PolarHBondContact O-N 3.47Å; R559-P570 WeakPolarHBondContact CD-O 3.37Å; R559-P570 HydrophobicContact CG-CB 4.1Å; R559-I573 HydrophobicContact CG-CB 4.26Å; R559-I573 HydrophobicContact CG-CG2 4.35Å; R559-L575 HydrophobicContact CB-CD1 4.13Å
560	Q	92.8	Very high	91.1	Very high	101 Å²	101	56.9 Å²	56.9	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-42.5	176.2	-69.6	174.8	10.1	0	0	111.9	E556 E557 A562 A563 V564	E556-Q560 WeakPolarHBondContact O-CG 3.39Å; E556-Q560 PolarHBondContact O-N 2.74Å; E556-Q560 PolarHBondContact OE1-NE2 3.19Å; E557-Q560 PolarHBondContact O-N 3.4Å; Q560-A562 VanDerWaalsContact C-N 3.34Å; Q560-A562 PolarHBondContact O-N 2.99Å; Q560-A563 WeakPolarHBondContact O-CB 3.3Å; Q560-A563 PolarHBondContact O-N 2.95Å; Q560-V564 WeakPolarHBondContact O-CG2 3.32Å; Q560-V564 PolarHBondContact O-N 2.76Å
561	R	93.1	Very high	90.7	Very high	57 Å²	57	65.1 Å²	65.1	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-41.2	175	-74	167.8	173.5	-113.4	3.6	111.9	D265 W551 E557 A558 A563 V564 K565	D265-R561 IonicContact OD1-CZ 2.67Å; D265-R561 IonicContact OD1-NH1 3.69Å; D265-R561 PolarHBondContact OD1-NH1 2.83Å; D265-R561 IonicContact OD1-NH2 2.73Å; D265-R561 PolarHBondContact OD1-NH2 2.75Å; D265-R561 IonicContact OD2-CZ 3.18Å; D265-R561 IonicContact OD2-NH1 3.1Å; D265-R561 IonicContact OD2-NH2 2.7Å; D265-R561 PolarHBondContact OD2-NH2 3.33Å; W551-R561 VanDerWaalsContact CD1-NH1 3.34Å; W551-R561 WeakPolarHBondContact O-CD 3.26Å; W551-R561 PolarHBondContact O-NE 3.47Å; E557-R561 WeakPolarHBondContact O-CB 3.26Å; E557-R561 VanDerWaalsContact O-CG 3.31Å; E557-R561 WeakPolarHBondContact O-CG 3.2Å; E557-R561 PolarHBondContact O-N 3.43Å; E557-R561 IonicContact OE1-CZ 3.85Å; E557-R561 IonicContact OE1-NE 3Å; E557-R561 PolarHBondContact OE1-NE 3.15Å; E557-R561 IonicContact OE1-NH2 3.05Å; E557-R561 PolarHBondContact OE1-NH2 3.34Å; A558-R561 PolarHBondContact O-N 2.97Å; R561-A563 VanDerWaalsContact C-N 3.34Å; R561-V564 PolarHBondContact O-N 3.06Å; R561-K565 WeakPolarHBondContact O-CB 3.3Å; R561-K565 PolarHBondContact O-N 3.42Å
562	A	91.2	Very high	90.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-41.9	174.1	0	0	0	0	0	111.7	V536 V550 A558 R559 Q560 V564 K565 Y566 I573	V536-A562 HydrophobicContact CG1-CB 4.1Å; V536-A562 HydrophobicContact CG2-CB 3.79Å; V550-A562 HydrophobicContact CG1-CB 3.92Å; V550-A562 HydrophobicContact CG2-CB 4.17Å; A558-A562 WeakPolarHBondContact O-CB 3.39Å; A558-A562 PolarHBondContact O-N 3.32Å; R559-A562 PolarHBondContact O-N 2.97Å; Q560-A562 VanDerWaalsContact C-N 3.34Å; Q560-A562 PolarHBondContact O-N 2.99Å; A562-V564 PolarHBondContact O-N 2.93Å; A562-K565 PolarHBondContact O-N 3.46Å; A562-Y566 HydrophobicContact CB-CD2 4.16Å; A562-Y566 HydrophobicContact CB-CE2 4.3Å; A562-Y566 WeakPolarHBondContact O-CB 3.43Å; A562-Y566 WeakPolarHBondContact O-CD2 3.2Å; A562-Y566 PolarHBondContact O-N 3.35Å; A562-I573 HydrophobicContact CB-CD1 3.74Å; A562-I573 HydrophobicContact CB-CG2 4.03Å
563	A	91.6	Very high	89.8	Confident	11 Å²	11	68 Å²	68	9%	0.091	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-46.9	177.5	0	0	0	0	0	112.4	R559 Q560 R561 G567 V568 P570 I573	R559-A563 PolarHBondContact O-N 3.47Å; Q560-A563 WeakPolarHBondContact O-CB 3.3Å; Q560-A563 PolarHBondContact O-N 2.95Å; R561-A563 VanDerWaalsContact C-N 3.34Å; A563-G567 WeakPolarHBondContact O-CA 3.48Å; A563-G567 PolarHBondContact O-N 3.39Å; A563-V568 WeakPolarHBondContact CA-O 3.07Å; A563-V568 WeakPolarHBondContact CB-O 3.39Å; A563-V568 PolarHBondContact O-N 3.4Å; A563-P570 HydrophobicContact CB-CB 4.39Å; A563-P570 HydrophobicContact CB-CG 3.74Å; A563-I573 HydrophobicContact CB-CD1 3.67Å
564	V	91.9	Very high	89.4	Confident	128 Å²	128	66.7 Å²	66.7	78%	0.776	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-46.2	176.4	175.8	0	0	0	0	111.2	Q560 R561 A562 Y566	Q560-V564 WeakPolarHBondContact O-CG2 3.32Å; Q560-V564 PolarHBondContact O-N 2.76Å; R561-V564 PolarHBondContact O-N 3.06Å; A562-V564 PolarHBondContact O-N 2.93Å; V564-Y566 PolarHBondContact O-N 2.88Å
565	K	89.9	Confident	89	Confident	118 Å²	118	64.7 Å²	64.7	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-65.2	-37.4	-175.5	-175.4	175.5	177	-176.9	0	113	W549 V550 R561 A562	W549-K565 PolarHBondContact O-NZ 3.3Å; W549-K565 VanDerWaalsContact O-NZ 3.11Å; V550-K565 HydrophobicContact CG1-CD 4.15Å; R561-K565 WeakPolarHBondContact O-CB 3.3Å; R561-K565 PolarHBondContact O-N 3.42Å; A562-K565 PolarHBondContact O-N 3.46Å
566	Y	89.2	Confident	88.3	Confident	56 Å²	56	66.9 Å²	66.9	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-107.5	-0.8	-175	-55.4	-61.9	0	0	0	113.9	V536 L538 L548 W549 V550 A562 V564 V568	V536-Y566 HydrophobicContact CB-CE2 4.1Å; V536-Y566 HydrophobicContact CG1-CD2 4.02Å; V536-Y566 HydrophobicContact CG1-CE2 3.91Å; V536-Y566 HydrophobicContact CG2-CE2 4.03Å; L538-Y566 HydrophobicContact CD1-CG 4.38Å; L538-Y566 HydrophobicContact CD2-CD2 4.27Å; L538-Y566 HydrophobicContact CD2-CG 4.3Å; L548-Y566 HydrophobicContact CB-CE2 4.41Å; L548-Y566 HydrophobicContact CD1-CD1 4.42Å; L548-Y566 HydrophobicContact CD1-CE1 4.07Å; L548-Y566 HydrophobicContact CD2-CE1 3.94Å; L548-Y566 HydrophobicContact CG-CE1 4.41Å; W549-Y566 PolarHBondContact O-OH 3.23Å; V550-Y566 HydrophobicContact CG1-CE2 4.09Å; A562-Y566 HydrophobicContact CB-CD2 4.16Å; A562-Y566 HydrophobicContact CB-CE2 4.3Å; A562-Y566 WeakPolarHBondContact O-CB 3.43Å; A562-Y566 WeakPolarHBondContact O-CD2 3.2Å; A562-Y566 PolarHBondContact O-N 3.35Å; V564-Y566 PolarHBondContact O-N 2.88Å; Y566-V568 PolarHBondContact O-N 3.2Å
567	G	87.7	Confident	86.4	Confident	72 Å²	72	72.5 Å²	72.5	74%	0.742	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	32	177.6	0	0	0	0	0	114.1	A563	A563-G567 WeakPolarHBondContact O-CA 3.48Å; A563-G567 PolarHBondContact O-N 3.39Å
568	V	87.8	Confident	84.7	Confident	36 Å²	36	77.9 Å²	77.9	22%	0.218	40%	0.398	C	S	.	.			trans	-119.9	143	-176.9	179	0	0	0	0	109.7	L538 A563 Y566 H572 I573	L538-V568 HydrophobicContact CD2-CG2 4.17Å; A563-V568 WeakPolarHBondContact CA-O 3.07Å; A563-V568 WeakPolarHBondContact CB-O 3.39Å; A563-V568 PolarHBondContact O-N 3.4Å; Y566-V568 PolarHBondContact O-N 3.2Å; V568-H572 HydrophobicContact CG1-CB 3.68Å; V568-I573 HydrophobicContact CB-CD1 4.49Å; V568-I573 HydrophobicContact CB-CG1 4.39Å; V568-I573 HydrophobicContact CG1-CG1 4.16Å
569	S	86.1	Confident	83.2	Confident	63 Å²	63	78.9 Å²	78.9	44%	0.441	41%	0.405	S	S	.	.			trans	-58.2	139.9	175.3	-59.6	0	0	0	0	111.5	E571 H572	S569-E571 PolarHBondContact O-N 3.09Å; S569-E571 VanDerWaalsContact O-N 3.09Å; S569-H572 PolarHBondContact O-N 3Å
570	P	84.1	Confident	82.5	Confident	51 Å²	51	76.6 Å²	76.6	33%	0.331	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-52.4	-35.6	-179.6	-27.4	33.8	0	0	0	114.2	R559 A563 H572 I573	R559-P570 WeakPolarHBondContact CD-O 3.37Å; R559-P570 HydrophobicContact CG-CB 4.1Å; A563-P570 HydrophobicContact CB-CB 4.39Å; A563-P570 HydrophobicContact CB-CG 3.74Å; P570-H572 PolarHBondContact O-N 3.29Å; P570-I573 PolarHBondContact O-N 3.35Å; P570-I573 VanDerWaalsContact O-N 3.14Å
571	E	84.8	Confident	82.1	Confident	176 Å²	176	75 Å²	75	82%	0.822	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.8	179.3	-64.1	158.8	-156.8	0	0	113.6	S569	S569-E571 PolarHBondContact O-N 3.09Å; S569-E571 VanDerWaalsContact O-N 3.09Å
572	H	84.2	Confident	82.1	Confident	110 Å²	110	73 Å²	73	51%	0.509	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-95.7	2.9	-179.8	-64.3	154	0	0	0	112.7	P539 V568 S569 P570	P539-H572 WeakPolarHBondContact CD-O 3.47Å; P539-H572 HydrophobicContact CG-CB 3.82Å; P539-H572 WeakPolarHBondContact CG-O 3.2Å; V568-H572 HydrophobicContact CG1-CB 3.68Å; S569-H572 PolarHBondContact O-N 3Å; P570-H572 PolarHBondContact O-N 3.29Å
573	I	85.1	Confident	82.2	Confident	8 Å²	8	73 Å²	73	4%	0.041	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-98	118.2	179.6	-66.1	175.3	0	0	0	109.2	V536 R559 A562 A563 V568 P570 L575	V536-I573 HydrophobicContact CG1-CG2 4Å; R559-I573 HydrophobicContact CG-CB 4.26Å; R559-I573 HydrophobicContact CG-CG2 4.35Å; A562-I573 HydrophobicContact CB-CD1 3.74Å; A562-I573 HydrophobicContact CB-CG2 4.03Å; A563-I573 HydrophobicContact CB-CD1 3.67Å; V568-I573 HydrophobicContact CB-CD1 4.49Å; V568-I573 HydrophobicContact CB-CG1 4.39Å; V568-I573 HydrophobicContact CG1-CG1 4.16Å; P570-I573 PolarHBondContact O-N 3.35Å; P570-I573 VanDerWaalsContact O-N 3.14Å; I573-L575 HydrophobicContact CG2-CD2 3.92Å; I573-L575 HydrophobicContact CG2-CG 4.37Å
574	T	85.4	Confident	82.4	Confident	81 Å²	81	72.7 Å²	72.7	50%	0.497	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.5	168.6	-55.9	0	0	0	0	107.8	Q537	Q537-T574 PolarHBondContact N-O 3.2Å; Q537-T574 PolarHBondContact O-N 3.43Å
575	L	83.9	Confident	82.4	Confident	12 Å²	12	66.9 Å²	66.9	6%	0.063	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.7	164	-58.7	-179.3	0	0	0	106.4	Y534 Q535 V536 V550 E555 A558 R559 I573 Q577	Y534-L575 HydrophobicContact CD1-CD1 4.19Å; Y534-L575 HydrophobicContact CG-CD1 4.26Å; Q535-L575 WeakPolarHBondContact O-CA 3.15Å; V536-L575 HydrophobicContact CG2-CD2 3.85Å; V550-L575 HydrophobicContact CG2-CD2 4.44Å; E555-L575 HydrophobicContact CG-CD1 3.67Å; E555-L575 WeakPolarHBondContact O-CD1 3.21Å; A558-L575 HydrophobicContact CB-CD1 4.07Å; R559-L575 HydrophobicContact CB-CD1 4.13Å; I573-L575 HydrophobicContact CG2-CD2 3.92Å; I573-L575 HydrophobicContact CG2-CG 4.37Å; L575-Q577 PolarHBondContact O-N 2.95Å
576	R	76.3	Confident	82.6	Confident	147 Å²	147	61.9 Å²	61.9	56%	0.555	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-58.5	133.5	172.8	-83.9	-161.9	-179.9	179.9	-3.7	108.5	Q535 E578	Q535-R576 HydrophobicContact CB-CB 4.49Å; Q535-R576 PolarHBondContact O-N 2.98Å; Q535-R576 VanDerWaalsContact O-N 3.08Å; R576-E578 CarbonylContact O-C 3.5Å; R576-E578 PolarHBondContact O-N 3.46Å
577	Q	52.6	Low	82.8	Confident	208 Å²	208	61.5 Å²	61.5	97%	0.972	33%	0.328	S	S	*	.	S	Bend	trans	-58.5	-13.7	-165.4	-107.2	175.2	-11.6	0	0	115	L575	L575-Q577 PolarHBondContact O-N 2.95Å
578	E	56.9	Low	83.2	Confident	148 Å²	148	58.1 Å²	58.1	69%	0.692	29%	0.293	S	S	*	.	S	Bend	trans	-114.3	117	170.5	-63.2	178.9	-173.6	0	0	107.7	R576	R576-E578 CarbonylContact O-C 3.5Å; R576-E578 PolarHBondContact O-N 3.46Å
579	S	61	Low	83.6	Confident	21 Å²	21	56.4 Å²	56.4	15%	0.147	28%	0.283	C	S	.	.			trans	-47.9	161	160.4	40.4	0	0	0	0	110.2	Q530 A533	Q530-S579 PolarHBondContact NE2-O 2.76Å; Q530-S579 VanDerWaalsContact NE2-O 3.09Å; Q530-S579 PolarHBondContact NE2-OG 2.91Å; Q530-S579 PolarHBondContact OE1-OG 3.21Å; A533-S579 WeakPolarHBondContact O-CA 3.49Å; A533-S579 WeakPolarHBondContact O-CB 3.29Å
580	D	77.6	Confident	84	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	26%	0.263	C	S	.	.			trans	-37.3	117.4	-179.1	-164.6	-30	0	0	0	110.3	R271 W478 Q530 I531 A533 W549 D582	R271-D580 IonicContact CZ-OD2 3.91Å; R271-D580 IonicContact NH1-OD2 3.81Å; R271-D580 PolarHBondContact NH1-OD2 3.38Å; W478-D580 PolarHBondContact NE1-OD2 3.15Å; Q530-D580 WeakPolarHBondContact CG-O 3.29Å; Q530-D580 PolarHBondContact NE2-O 3.34Å; I531-D580 HydrophobicContact CB-CB 4.2Å; I531-D580 HydrophobicContact CG2-CB 4.46Å; A533-D580 PolarHBondContact O-N 2.89Å; W549-D580 HydrophobicContact CH2-CB 3.9Å; W549-D580 HydrophobicContact CZ3-CB 3.65Å; D580-D582 PolarHBondContact O-N 2.91Å; D580-D582 VanDerWaalsContact O-N 3.12Å; D580-D582 VanDerWaalsContact OD1-CB 3.32Å; D580-D582 WeakPolarHBondContact OD1-CB 3.37Å; D580-D582 PolarHBondContact OD1-N 3.36Å
581	P	84.6	Confident	84.6	Confident	68 Å²	68	51.1 Å²	51.1	44%	0.442	25%	0.247	S	C	.	.	S	Bend	trans	-66	-16.4	-172	26.2	-35.6	0	0	0	111.9	R210	R210-P581 PolarHBondContact NH1-O 3.05Å; R210-P581 PolarHBondContact NH2-O 2.73Å
582	D	91.9	Very high	85.2	Confident	15 Å²	15	42.7 Å²	42.7	8%	0.08	21%	0.208	C	C	.	.			trans	-62.7	150.3	173.9	-72.7	-9.5	0	0	0	112.1	R523 Q524 I531 D580	R523-D582 WeakPolarHBondContact O-CA 3.32Å; Q524-D582 WeakPolarHBondContact CG-OD1 3.3Å; Q524-D582 PolarHBondContact NE2-OD1 2.94Å; Q524-D582 PolarHBondContact NE2-OD2 3.35Å; I531-D582 HydrophobicContact CD1-CB 3.79Å; I531-D582 PolarHBondContact N-O 3.25Å; I531-D582 VanDerWaalsContact N-O 3.14Å; D580-D582 PolarHBondContact O-N 2.91Å; D580-D582 VanDerWaalsContact O-N 3.12Å; D580-D582 VanDerWaalsContact OD1-CB 3.32Å; D580-D582 WeakPolarHBondContact OD1-CB 3.37Å; D580-D582 PolarHBondContact OD1-N 3.36Å
583	V	94.2	Very high	85.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	158.2	169.8	-57.3	0	0	0	0	110.5	S522 R523 L525 H529	S522-V583 CarbonylContact C-O 3.59Å; R523-V583 HydrophobicContact CB-CG2 4.02Å; R523-V583 PolarHBondContact N-O 2.93Å; R523-V583 PolarHBondContact O-N 3.02Å; L525-V583 HydrophobicContact CB-CG2 3.72Å; L525-V583 HydrophobicContact CD1-CG2 4.42Å; L525-V583 HydrophobicContact CG-CG2 4.5Å; H529-V583 CarbonylContact O-C 3.6Å; H529-V583 WeakPolarHBondContact O-CA 3.45Å; H529-V583 WeakPolarHBondContact O-CB 3.31Å
584	L	95	Very high	86.4	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	146.8	173.8	-68.7	165.8	0	0	0	111.1	V256 F260 V521 H529 I531 F588	V256-L584 HydrophobicContact CG1-CD1 3.48Å; V256-L584 VanDerWaalsContact CG1-CD1 3.48Å; F260-L584 HydrophobicContact CD2-CD1 4.4Å; F260-L584 HydrophobicContact CD2-CD2 3.81Å; F260-L584 HydrophobicContact CE2-CD2 4.03Å; V521-L584 HydrophobicContact CB-CD2 4.29Å; V521-L584 HydrophobicContact CG2-CD2 4.32Å; V521-L584 CarbonylContact O-C 3.57Å; V521-L584 VanDerWaalsContact O-CA 3.29Å; V521-L584 WeakPolarHBondContact O-CA 3.49Å; H529-L584 HydrophobicContact CB-CB 4.34Å; H529-L584 HydrophobicContact CB-CD1 4.19Å; H529-L584 PolarHBondContact O-N 2.68Å; I531-L584 HydrophobicContact CD1-CD2 4.32Å; I531-L584 HydrophobicContact CG1-CD2 3.8Å; I531-L584 HydrophobicContact CG1-CG 3.83Å; L584-F588 HydrophobicContact CB-CB 4.48Å; L584-F588 HydrophobicContact CB-CD1 4.4Å; L584-F588 HydrophobicContact CD1-CD1 3.78Å; L584-F588 HydrophobicContact CD1-CE1 3.93Å; L584-F588 HydrophobicContact CD2-CD1 4.29Å; L584-F588 HydrophobicContact CG-CD1 4.38Å
585	D	93.1	Very high	86.9	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.032	16%	0.158	C	C	.	.			trans	-53.8	137	169.2	-173.2	13.3	0	0	0	110.6	W519 V521 R523 W587 F588	W519-D585 HydrophobicContact CZ2-CB 4.36Å; W519-D585 PolarHBondContact NE1-OD2 3.5Å; V521-D585 PolarHBondContact O-N 3.29Å; R523-D585 HydrophobicContact CG-CB 4.42Å; R523-D585 IonicContact CZ-OD1 3.77Å; R523-D585 IonicContact CZ-OD2 3.96Å; R523-D585 IonicContact NE-OD1 2.93Å; R523-D585 IonicContact NH2-OD1 2.85Å; R523-D585 IonicContact NH2-OD2 3.15Å; R523-D585 PolarHBondContact NH2-OD2 3.39Å; D585-W587 PolarHBondContact O-N 3.44Å; D585-W587 VanDerWaalsContact O-N 3.15Å; D585-F588 WeakPolarHBondContact O-CA 3.46Å; D585-F588 WeakPolarHBondContact O-CB 3.34Å; D585-F588 PolarHBondContact O-N 2.97Å
586	T	93.1	Very high	87.5	Confident	14 Å²	14	33.1 Å²	33.1	9%	0.086	16%	0.157	C	C	.	.	H	α-helix	trans	-53.9	-38.4	178.2	-55.4	0	0	0	0	112	D183 A185 G186 F588 S589 S590	D183-T586 WeakPolarHBondContact OD2-CG2 3.44Å; A185-T586 VanDerWaalsContact C-OG1 3.29Å; A185-T586 VanDerWaalsContact CA-CG2 3.5Å; G186-T586 VanDerWaalsContact CA-OG1 3.26Å; G186-T586 WeakPolarHBondContact CA-OG1 3.49Å; G186-T586 PolarHBondContact N-OG1 2.91Å; T586-F588 PolarHBondContact O-N 3.14Å; T586-S589 PolarHBondContact O-N 3.11Å; T586-S589 PolarHBondContact O-OG 2.97Å; T586-S590 WeakPolarHBondContact O-CB 3.3Å; T586-S590 PolarHBondContact O-N 3.09Å; T586-S590 PolarHBondContact O-OG 3.33Å
587	W	93.6	Very high	88.4	Confident	48 Å²	48	26.9 Å²	26.9	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-22.8	179.8	-60.3	109.5	0	0	0	112.5	I289 W519 D585 A591 L622 F625 W626	I289-W587 HydrophobicContact CD1-CZ2 3.97Å; W519-W587 HydrophobicContact CH2-CB 4.41Å; W519-W587 HydrophobicContact CZ2-CB 3.83Å; D585-W587 PolarHBondContact O-N 3.44Å; D585-W587 VanDerWaalsContact O-N 3.15Å; W587-A591 WeakPolarHBondContact O-CB 3.35Å; W587-A591 PolarHBondContact O-N 3.47Å; W587-L622 HydrophobicContact CH2-CD2 3.97Å; W587-L622 HydrophobicContact CZ3-CD2 4.34Å; W587-F625 HydrophobicContact CD2-CB 4.17Å; W587-F625 HydrophobicContact CE3-CB 4.11Å; W587-F625 VanDerWaalsContact CE3-O 3.28Å; W587-F625 HydrophobicContact CH2-CB 4.04Å; W587-F625 HydrophobicContact CZ2-CB 4.08Å; W587-F625 HydrophobicContact CZ3-CB 4.06Å; W587-W626 HydrophobicContact CE3-CB 4.34Å; W587-W626 HydrophobicContact CZ3-CB 4.03Å; W587-W626 HydrophobicContact CZ3-CG 4.48Å
588	F	96.1	Very high	90.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.2	-52.1	173.8	-171.2	-94.5	0	0	0	111.1	V256 A259 F260 L263 I269 V480 W519 V521 L584 D585 T586 L592 L633	V256-F588 HydrophobicContact CG1-CD1 4.09Å; V256-F588 HydrophobicContact CG1-CE1 4.11Å; A259-F588 HydrophobicContact CB-CE1 4.35Å; A259-F588 HydrophobicContact CB-CZ 4.3Å; F260-F588 HydrophobicContact CB-CE1 4.43Å; F260-F588 HydrophobicContact CB-CZ 4.38Å; L263-F588 HydrophobicContact CD1-CE2 3.86Å; L263-F588 HydrophobicContact CD1-CZ 3.92Å; I269-F588 HydrophobicContact CD1-CE2 4.11Å; I269-F588 HydrophobicContact CD1-CZ 4.19Å; V480-F588 HydrophobicContact CG2-CE2 4.31Å; W519-F588 VanDerWaalsContact CH2-CA 3.45Å; W519-F588 HydrophobicContact CH2-CB 3.91Å; W519-F588 AromaticContact CH2-CD2 4Å; W519-F588 HydrophobicContact CH2-CD2 4Å; W519-F588 HydrophobicContact CH2-CG 4.43Å; W519-F588 HydrophobicContact CZ2-CB 4.03Å; W519-F588 HydrophobicContact CZ3-CD2 4.1Å; V521-F588 HydrophobicContact CG1-CD2 3.9Å; L584-F588 HydrophobicContact CB-CB 4.48Å; L584-F588 HydrophobicContact CB-CD1 4.4Å; L584-F588 HydrophobicContact CD1-CD1 3.78Å; L584-F588 HydrophobicContact CD1-CE1 3.93Å; L584-F588 HydrophobicContact CD2-CD1 4.29Å; L584-F588 HydrophobicContact CG-CD1 4.38Å; D585-F588 WeakPolarHBondContact O-CA 3.46Å; D585-F588 WeakPolarHBondContact O-CB 3.34Å; D585-F588 PolarHBondContact O-N 2.97Å; T586-F588 PolarHBondContact O-N 3.14Å; F588-L592 HydrophobicContact CE1-CD1 4.5Å; F588-L592 WeakPolarHBondContact O-CG 3.48Å; F588-L633 HydrophobicContact CD2-CD1 4.18Å; F588-L633 HydrophobicContact CE2-CD1 4.19Å
589	S	95.9	Very high	92.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-71.2	-37.8	177.5	60.4	0	0	0	0	112.5	H184 F252 H529 T586 A591 L592	H184-S589 PolarHBondContact CE1-OG 3.24Å; F252-S589 WeakPolarHBondContact CE1-O 3.49Å; H529-S589 WeakPolarHBondContact NE2-CB 3.38Å; H529-S589 PolarHBondContact NE2-OG 3.39Å; T586-S589 PolarHBondContact O-N 3.11Å; T586-S589 PolarHBondContact O-OG 2.97Å; S589-A591 VanDerWaalsContact C-N 3.28Å; S589-A591 PolarHBondContact O-N 2.92Å; S589-L592 WeakPolarHBondContact O-CB 3.39Å; S589-L592 PolarHBondContact O-N 3.25Å
590	S	94.9	Very high	94.1	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-62.4	-33.9	177.3	-62.8	0	0	0	0	112.9	D183 T586 L592 F593 W626	D183-S590 PolarHBondContact OD2-OG 2.88Å; T586-S590 WeakPolarHBondContact O-CB 3.3Å; T586-S590 PolarHBondContact O-N 3.09Å; T586-S590 PolarHBondContact O-OG 3.33Å; S590-L592 PolarHBondContact O-N 2.87Å; S590-F593 VanDerWaalsContact O-CB 3.27Å; S590-F593 WeakPolarHBondContact O-CB 3.34Å; S590-F593 PolarHBondContact O-N 3.23Å; S590-W626 PolarHBondContact O-NE1 3.17Å
591	A	96.6	Very high	95	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.1	176.3	0	0	0	0	0	113.6	W587 S589 R629 M630 L633	W587-A591 WeakPolarHBondContact O-CB 3.35Å; W587-A591 PolarHBondContact O-N 3.47Å; S589-A591 VanDerWaalsContact C-N 3.28Å; S589-A591 PolarHBondContact O-N 2.92Å; A591-R629 HydrophobicContact CB-CB 3.66Å; A591-M630 HydrophobicContact CB-CG 4.48Å; A591-M630 WeakPolarHBondContact O-CG 3.28Å; A591-L633 HydrophobicContact CB-CD1 3.8Å; A591-L633 HydrophobicContact CB-CG 4.43Å
592	L	97.6	Very high	95.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.4	177.1	-48.4	177.7	0	0	0	112.9	V256 A259 F588 S589 S590 P594 F595 T596 L633 L637	V256-L592 HydrophobicContact CB-CD1 4.38Å; V256-L592 HydrophobicContact CG2-CD1 3.91Å; A259-L592 HydrophobicContact CB-CD1 3.58Å; A259-L592 HydrophobicContact CB-CD2 4.02Å; A259-L592 HydrophobicContact CB-CG 4.48Å; F588-L592 HydrophobicContact CE1-CD1 4.5Å; F588-L592 WeakPolarHBondContact O-CG 3.48Å; S589-L592 WeakPolarHBondContact O-CB 3.39Å; S589-L592 PolarHBondContact O-N 3.25Å; S590-L592 PolarHBondContact O-N 2.87Å; L592-P594 VanDerWaalsContact C-CD 3.41Å; L592-F595 HydrophobicContact CB-CE2 3.94Å; L592-F595 HydrophobicContact CB-CZ 3.84Å; L592-F595 HydrophobicContact CD2-CE2 4.03Å; L592-F595 HydrophobicContact CD2-CZ 3.54Å; L592-F595 HydrophobicContact CG-CZ 4.29Å; L592-F595 PolarHBondContact O-N 3.23Å; L592-T596 WeakPolarHBondContact CB-OG1 3.43Å; L592-T596 WeakPolarHBondContact O-CB 3.4Å; L592-T596 PolarHBondContact O-N 3Å; L592-T596 PolarHBondContact O-OG1 3.24Å; L592-L633 HydrophobicContact CD2-CB 4.17Å; L592-L633 HydrophobicContact CD2-CD1 3.84Å; L592-L637 HydrophobicContact CD2-CD1 3.53Å
593	F	97.1	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-51.2	-45.6	-170.1	-162.1	-83	0	0	0	115	C141 P144 C245 T247 F252 S590 F595 T596 M597	C141-F593 HydrophobicContact CB-CD1 3.72Å; C141-F593 HydrophobicContact CB-CE1 3.58Å; P144-F593 HydrophobicContact CB-CD2 4.3Å; P144-F593 HydrophobicContact CB-CE2 3.83Å; P144-F593 HydrophobicContact CB-CZ 4.19Å; P144-F593 HydrophobicContact CG-CD2 3.9Å; P144-F593 HydrophobicContact CG-CE2 3.94Å; P144-F593 HydrophobicContact CG-CG 4.37Å; P144-F593 HydrophobicContact CG-CZ 4.45Å; C245-F593 VanDerWaalsContact SG-CZ 3.51Å; T247-F593 HydrophobicContact CG2-CD2 4.24Å; F252-F593 AromaticContact CE2-CD2 3.59Å; F252-F593 HydrophobicContact CE2-CD2 3.59Å; F252-F593 HydrophobicContact CE2-CE2 4.05Å; F252-F593 HydrophobicContact CE2-CG 4.29Å; F252-F593 HydrophobicContact CZ-CB 4.2Å; F252-F593 AromaticContact CZ-CD2 3.78Å; F252-F593 HydrophobicContact CZ-CD2 3.78Å; F252-F593 HydrophobicContact CZ-CG 4.34Å; S590-F593 VanDerWaalsContact O-CB 3.27Å; S590-F593 WeakPolarHBondContact O-CB 3.34Å; S590-F593 PolarHBondContact O-N 3.23Å; F593-F595 PolarHBondContact O-N 2.88Å; F593-F595 VanDerWaalsContact O-N 3.08Å; F593-T596 PolarHBondContact O-N 3.17Å; F593-M597 HydrophobicContact CD1-CB 4.34Å; F593-M597 HydrophobicContact CD1-SD 3.85Å; F593-M597 HydrophobicContact CE1-CB 4.11Å; F593-M597 HydrophobicContact CE1-CG 4.44Å; F593-M597 HydrophobicContact CE1-SD 3.6Å; F593-M597 HydrophobicContact CZ-CB 4.48Å; F593-M597 WeakPolarHBondContact O-CB 3.24Å; F593-M597 VanDerWaalsContact O-CG 3.26Å; F593-M597 WeakPolarHBondContact O-CG 3.28Å; F593-M597 PolarHBondContact O-N 2.89Å
594	P	96.2	Very high	95.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-27.6	-173.8	-26.5	35.8	0	0	0	115.4	L592 L598 M630 P642	L592-P594 VanDerWaalsContact C-CD 3.41Å; P594-L598 WeakPolarHBondContact O-CD1 3.15Å; P594-M630 HydrophobicContact CG-CB 4.48Å; P594-M630 HydrophobicContact CG-CG 4.02Å; P594-M630 HydrophobicContact CG-SD 3.31Å; P594-M630 WeakPolarHBondContact CG-SD 3.32Å; P594-P642 HydrophobicContact CB-CB 4.15Å; P594-P642 HydrophobicContact CG-CB 4.24Å
595	F	96.4	Very high	95.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-112.4	-30.1	-179.3	49.8	-89.8	0	0	0	112.6	L592 F593 L598 G599 W600 L607 Y611 L637 T638	L592-F595 HydrophobicContact CB-CE2 3.94Å; L592-F595 HydrophobicContact CB-CZ 3.84Å; L592-F595 HydrophobicContact CD2-CE2 4.03Å; L592-F595 HydrophobicContact CD2-CZ 3.54Å; L592-F595 HydrophobicContact CG-CZ 4.29Å; L592-F595 PolarHBondContact O-N 3.23Å; F593-F595 PolarHBondContact O-N 2.88Å; F593-F595 VanDerWaalsContact O-N 3.08Å; F595-L598 PolarHBondContact O-N 3.22Å; F595-L598 VanDerWaalsContact O-N 3.16Å; F595-G599 PolarHBondContact O-N 3.39Å; F595-W600 HydrophobicContact CB-CB 4.17Å; F595-W600 HydrophobicContact CD2-CB 3.77Å; F595-W600 AromaticContact CD2-CD2 3.53Å; F595-W600 HydrophobicContact CD2-CD2 3.53Å; F595-W600 AromaticContact CD2-CE3 3.67Å; F595-W600 HydrophobicContact CD2-CE3 3.67Å; F595-W600 AromaticContact CD2-CG 3.54Å; F595-W600 HydrophobicContact CD2-CG 3.54Å; F595-W600 HydrophobicContact CD2-CZ3 4.49Å; F595-W600 AromaticContact CE2-CD2 3.72Å; F595-W600 HydrophobicContact CE2-CD2 3.72Å; F595-W600 AromaticContact CE2-CE3 3.57Å; F595-W600 HydrophobicContact CE2-CE3 3.57Å; F595-W600 HydrophobicContact CE2-CG 4.22Å; F595-W600 HydrophobicContact CE2-CH2 4.44Å; F595-W600 AromaticContact CE2-CZ3 3.94Å; F595-W600 HydrophobicContact CE2-CZ3 3.94Å; F595-W600 HydrophobicContact CG-CB 4.48Å; F595-W600 HydrophobicContact CG-CG 4.47Å; F595-W600 VanDerWaalsContact O-CB 3.27Å; F595-W600 WeakPolarHBondContact O-CB 3.42Å; F595-W600 PolarHBondContact O-N 3.48Å; F595-L607 HydrophobicContact CB-CD1 3.96Å; F595-Y611 HydrophobicContact CB-CD2 3.93Å; F595-Y611 HydrophobicContact CB-CE2 3.78Å; F595-Y611 HydrophobicContact CB-CG 4.49Å; F595-Y611 HydrophobicContact CD1-CE2 4.11Å; F595-Y611 HydrophobicContact CG-CE2 4.41Å; F595-L637 HydrophobicContact CE2-CD1 4.39Å; F595-L637 HydrophobicContact CZ-CD1 4.11Å; F595-T638 HydrophobicContact CB-CG2 4.41Å; F595-T638 HydrophobicContact CD1-CG2 4.2Å; F595-T638 HydrophobicContact CD2-CG2 4.17Å; F595-T638 HydrophobicContact CE1-CG2 4.48Å; F595-T638 HydrophobicContact CE2-CG2 4.44Å; F595-T638 HydrophobicContact CG-CG2 4.01Å
596	T	97.1	Very high	95.8	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.055	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-37	175.3	-61.1	0	0	0	0	112.2	F252 A255 L592 F593 L598 G599	F252-T596 HydrophobicContact CB-CG2 4.06Å; F252-T596 HydrophobicContact CD1-CG2 3.63Å; F252-T596 HydrophobicContact CD2-CG2 3.42Å; F252-T596 VanDerWaalsContact CD2-CG2 3.42Å; F252-T596 HydrophobicContact CE1-CG2 3.82Å; F252-T596 HydrophobicContact CE2-CG2 3.63Å; F252-T596 HydrophobicContact CG-CG2 3.42Å; F252-T596 VanDerWaalsContact CG-CG2 3.42Å; F252-T596 HydrophobicContact CZ-CG2 3.82Å; A255-T596 HydrophobicContact CB-CG2 3.39Å; L592-T596 WeakPolarHBondContact CB-OG1 3.43Å; L592-T596 WeakPolarHBondContact O-CB 3.4Å; L592-T596 PolarHBondContact O-N 3Å; L592-T596 PolarHBondContact O-OG1 3.24Å; F593-T596 PolarHBondContact O-N 3.17Å; T596-L598 PolarHBondContact O-N 3.08Å; T596-L598 VanDerWaalsContact O-N 3.11Å; T596-G599 PolarHBondContact O-N 3.22Å
597	M	95.1	Very high	96	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.084	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.4	175.6	76.6	-179.5	-173.9	0	0	112.9	C141 V179 F593	C141-M597 HydrophobicContact CB-CE 3.94Å; C141-M597 HydrophobicContact CB-SD 3.55Å; C141-M597 VanDerWaalsContact CB-SD 3.55Å; V179-M597 HydrophobicContact CB-CE 4.15Å; V179-M597 HydrophobicContact CB-CG 4.45Å; V179-M597 HydrophobicContact CB-SD 3.5Å; V179-M597 VanDerWaalsContact CB-SD 3.5Å; V179-M597 HydrophobicContact CG1-CB 4.1Å; V179-M597 HydrophobicContact CG1-CG 4.24Å; V179-M597 HydrophobicContact CG1-SD 3.78Å; V179-M597 HydrophobicContact CG2-CE 3.76Å; V179-M597 HydrophobicContact CG2-CG 4.33Å; V179-M597 HydrophobicContact CG2-SD 3.68Å; F593-M597 HydrophobicContact CD1-CB 4.34Å; F593-M597 HydrophobicContact CD1-SD 3.85Å; F593-M597 HydrophobicContact CE1-CB 4.11Å; F593-M597 HydrophobicContact CE1-CG 4.44Å; F593-M597 HydrophobicContact CE1-SD 3.6Å; F593-M597 HydrophobicContact CZ-CB 4.48Å; F593-M597 WeakPolarHBondContact O-CB 3.24Å; F593-M597 VanDerWaalsContact O-CG 3.26Å; F593-M597 WeakPolarHBondContact O-CG 3.28Å; F593-M597 PolarHBondContact O-N 2.89Å
598	L	96.5	Very high	96.1	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1	177.7	-56.4	175.1	0	0	0	111.9	L177 P594 F595 T596 T604 D606 L607 F610	L177-L598 HydrophobicContact CD2-CD2 3.68Å; P594-L598 WeakPolarHBondContact O-CD1 3.15Å; F595-L598 PolarHBondContact O-N 3.22Å; F595-L598 VanDerWaalsContact O-N 3.16Å; T596-L598 PolarHBondContact O-N 3.08Å; T596-L598 VanDerWaalsContact O-N 3.11Å; L598-T604 PolarHBondContact O-OG1 3.27Å; L598-D606 HydrophobicContact CB-CB 4.36Å; L598-D606 HydrophobicContact CD2-CB 4.27Å; L598-L607 HydrophobicContact CB-CB 4.15Å; L598-L607 HydrophobicContact CB-CD1 4.14Å; L598-L607 HydrophobicContact CD1-CD1 4.41Å; L598-F610 HydrophobicContact CD1-CB 4.1Å; L598-F610 HydrophobicContact CD2-CB 4.13Å
599	G	95.9	Very high	96	Very high	30 Å²	30	40.1 Å²	40.1	31%	0.309	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	11.6	175.5	0	0	0	0	0	115.6	F595 T596 E602	F595-G599 PolarHBondContact O-N 3.39Å; T596-G599 PolarHBondContact O-N 3.22Å; G599-E602 WeakPolarHBondContact O-CB 3.49Å; G599-E602 PolarHBondContact O-N 2.92Å
600	W	97.6	Very high	96	Very high	14 Å²	14	40.2 Å²	40.2	5%	0.053	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	139.9	166.2	-177.4	93.6	0	0	0	109.7	A255 E258 A259 F595 L607 L637	A255-W600 HydrophobicContact CB-CE3 3.76Å; A255-W600 HydrophobicContact CB-CZ3 3.9Å; A255-W600 VanDerWaalsContact CB-O 3.29Å; A255-W600 WeakPolarHBondContact CB-O 3.42Å; A255-W600 VanDerWaalsContact O-CZ3 3.23Å; A255-W600 WeakPolarHBondContact O-CZ3 3.46Å; E258-W600 HydrophobicContact CB-CH2 4.12Å; E258-W600 HydrophobicContact CB-CZ3 4.39Å; E258-W600 HydrophobicContact CG-CH2 3.95Å; E258-W600 HydrophobicContact CG-CZ2 4.28Å; A259-W600 HydrophobicContact CB-CH2 3.85Å; A259-W600 HydrophobicContact CB-CZ3 4.08Å; F595-W600 HydrophobicContact CB-CB 4.17Å; F595-W600 HydrophobicContact CD2-CB 3.77Å; F595-W600 AromaticContact CD2-CD2 3.53Å; F595-W600 HydrophobicContact CD2-CD2 3.53Å; F595-W600 AromaticContact CD2-CE3 3.67Å; F595-W600 HydrophobicContact CD2-CE3 3.67Å; F595-W600 AromaticContact CD2-CG 3.54Å; F595-W600 HydrophobicContact CD2-CG 3.54Å; F595-W600 HydrophobicContact CD2-CZ3 4.49Å; F595-W600 AromaticContact CE2-CD2 3.72Å; F595-W600 HydrophobicContact CE2-CD2 3.72Å; F595-W600 AromaticContact CE2-CE3 3.57Å; F595-W600 HydrophobicContact CE2-CE3 3.57Å; F595-W600 HydrophobicContact CE2-CG 4.22Å; F595-W600 HydrophobicContact CE2-CH2 4.44Å; F595-W600 AromaticContact CE2-CZ3 3.94Å; F595-W600 HydrophobicContact CE2-CZ3 3.94Å; F595-W600 HydrophobicContact CG-CB 4.48Å; F595-W600 HydrophobicContact CG-CG 4.47Å; F595-W600 VanDerWaalsContact O-CB 3.27Å; F595-W600 WeakPolarHBondContact O-CB 3.42Å; F595-W600 PolarHBondContact O-N 3.48Å; W600-L607 HydrophobicContact CB-CD1 4.3Å; W600-L607 HydrophobicContact CB-CD2 4.14Å; W600-L637 HydrophobicContact CH2-CD1 4.2Å; W600-L637 HydrophobicContact CH2-CD2 4.33Å; W600-L637 HydrophobicContact CZ2-CB 4.04Å; W600-L637 HydrophobicContact CZ2-CD2 4.32Å
601	P	95.9	Very high	96.1	Very high	33 Å²	33	41.1 Å²	41.1	21%	0.214	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.7	-0.9	15.3	36.2	-38.9	0	0	0	116.2	E258	E258-P601 HydrophobicContact CB-CB 4.27Å; E258-P601 HydrophobicContact CB-CG 3.94Å; E258-P601 HydrophobicContact CG-CB 3.68Å; E258-P601 HydrophobicContact CG-CG 3.81Å
602	E	95.6	Very high	96.1	Very high	126 Å²	126	43 Å²	43	59%	0.589	22%	0.221	S	C	*	.	S	Bend	trans	-70.7	148.9	177.1	-53.3	-56.3	158.7	0	0	111	G599 T604 L607	G599-E602 WeakPolarHBondContact O-CB 3.49Å; G599-E602 PolarHBondContact O-N 2.92Å; E602-T604 HydrophobicContact CB-CG2 3.92Å; E602-T604 PolarHBondContact O-N 3.26Å; E602-L607 WeakPolarHBondContact O-CD2 3.42Å
603	K	93.3	Very high	96.1	Very high	185 Å²	185	43 Å²	43	80%	0.804	22%	0.221	S	C	*	.			trans	-82.7	60.9	176.5	-65.5	-175.3	-179.7	-179.3	0	111	Q608	K603-Q608 PolarHBondContact O-NE2 3.31Å
604	T	96.5	Very high	96.1	Very high	34 Å²	34	44.5 Å²	44.5	21%	0.209	23%	0.232	C	C	.	.			trans	-69	157.7	-177	69	0	0	0	0	112.1	L598 E602 D606 L607 Q608	L598-T604 PolarHBondContact O-OG1 3.27Å; E602-T604 HydrophobicContact CB-CG2 3.92Å; E602-T604 PolarHBondContact O-N 3.26Å; T604-D606 VanDerWaalsContact C-N 3.26Å; T604-D606 PolarHBondContact O-N 2.94Å; T604-L607 PolarHBondContact O-N 3.35Å; T604-L607 VanDerWaalsContact OG1-CB 3.27Å; T604-L607 WeakPolarHBondContact OG1-CB 3.31Å; T604-L607 PolarHBondContact OG1-N 3.26Å; T604-Q608 WeakPolarHBondContact O-CG 3.33Å; T604-Q608 PolarHBondContact O-N 3.15Å; T604-Q608 VanDerWaalsContact O-N 3.16Å
605	P	95.3	Very high	96.1	Very high	101 Å²	101	44.5 Å²	44.5	66%	0.656	23%	0.232	S	C	*	.	H	α-helix	trans	-59.3	-37.2	171.2	-24.7	35	0	0	0	113	Q608 R609	P605-Q608 PolarHBondContact O-N 3.49Å; P605-R609 WeakPolarHBondContact O-CB 3.33Å; P605-R609 PolarHBondContact O-N 3.41Å
606	D	95.2	Very high	96.2	Very high	39 Å²	39	44.5 Å²	44.5	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-44	178.6	-81.9	-4.6	0	0	0	111.3	R243 L598 T604 Q608 R609 F610	R243-D606 IonicContact CZ-OD1 2.73Å; R243-D606 IonicContact CZ-OD2 2.7Å; R243-D606 IonicContact NE-OD1 2.71Å; R243-D606 IonicContact NE-OD2 2.87Å; R243-D606 PolarHBondContact NE-OD2 3.5Å; R243-D606 IonicContact NH2-OD1 3.54Å; R243-D606 PolarHBondContact NH2-OD1 2.95Å; R243-D606 IonicContact NH2-OD2 3.74Å; R243-D606 PolarHBondContact NH2-OD2 3.05Å; L598-D606 HydrophobicContact CB-CB 4.36Å; L598-D606 HydrophobicContact CD2-CB 4.27Å; T604-D606 VanDerWaalsContact C-N 3.26Å; T604-D606 PolarHBondContact O-N 2.94Å; D606-Q608 PolarHBondContact O-N 3.38Å; D606-R609 PolarHBondContact O-N 2.93Å; D606-F610 HydrophobicContact CB-CD2 4.31Å; D606-F610 WeakPolarHBondContact O-CB 3.27Å; D606-F610 WeakPolarHBondContact O-CD2 3.37Å; D606-F610 PolarHBondContact O-N 3.12Å
607	L	96.8	Very high	96.2	Very high	23 Å²	23	44 Å²	44	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-46.4	176.6	-176.8	68.1	0	0	0	110.8	F595 L598 W600 E602 T604 R609 Y611	F595-L607 HydrophobicContact CB-CD1 3.96Å; L598-L607 HydrophobicContact CB-CB 4.15Å; L598-L607 HydrophobicContact CB-CD1 4.14Å; L598-L607 HydrophobicContact CD1-CD1 4.41Å; W600-L607 HydrophobicContact CB-CD1 4.3Å; W600-L607 HydrophobicContact CB-CD2 4.14Å; E602-L607 WeakPolarHBondContact O-CD2 3.42Å; T604-L607 PolarHBondContact O-N 3.35Å; T604-L607 VanDerWaalsContact OG1-CB 3.27Å; T604-L607 WeakPolarHBondContact OG1-CB 3.31Å; T604-L607 PolarHBondContact OG1-N 3.26Å; L607-R609 VanDerWaalsContact C-N 3.26Å; L607-R609 PolarHBondContact O-N 3.31Å; L607-Y611 HydrophobicContact CD1-CD1 4.29Å; L607-Y611 HydrophobicContact CD1-CG 4Å; L607-Y611 WeakPolarHBondContact O-CB 3.44Å; L607-Y611 PolarHBondContact O-N 3.36Å; L607-Y611 VanDerWaalsContact O-N 3.14Å
608	Q	95.6	Very high	96.3	Very high	142 Å²	142	43.3 Å²	43.3	66%	0.664	23%	0.226	S	C	*	.	H	α-helix	trans	-64.4	-30.9	180	-67.9	174.7	18.5	0	0	113.3	K603 T604 P605 D606	K603-Q608 PolarHBondContact O-NE2 3.31Å; T604-Q608 WeakPolarHBondContact O-CG 3.33Å; T604-Q608 PolarHBondContact O-N 3.15Å; T604-Q608 VanDerWaalsContact O-N 3.16Å; P605-Q608 PolarHBondContact O-N 3.49Å; D606-Q608 PolarHBondContact O-N 3.38Å
609	R	94.6	Very high	96.2	Very high	81 Å²	81	43.3 Å²	43.3	31%	0.306	23%	0.226	S	C	.	.	H	α-helix	trans	-95.3	-30.5	-170.5	-179.1	163.5	150.2	154.7	-17.7	113.8	D125 E128 P605 D606 L607	D125-R609 IonicContact OD1-NH2 3.95Å; E128-R609 IonicContact OE1-CZ 3.55Å; E128-R609 IonicContact OE1-NH1 3.59Å; E128-R609 PolarHBondContact OE1-NH1 3.14Å; E128-R609 IonicContact OE1-NH2 3Å; E128-R609 PolarHBondContact OE1-NH2 2.94Å; P605-R609 WeakPolarHBondContact O-CB 3.33Å; P605-R609 PolarHBondContact O-N 3.41Å; D606-R609 PolarHBondContact O-N 2.93Å; L607-R609 VanDerWaalsContact C-N 3.26Å; L607-R609 PolarHBondContact O-N 3.31Å
610	F	96.3	Very high	95.9	Very high	3 Å²	3	43 Å²	43	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-117.5	-7.7	-172.1	-60.3	-74.2	0	0	0	114.2	P124 T137 S139 R175 L177 L598 D606 P612 N613	P124-F610 HydrophobicContact CB-CE1 4.35Å; P124-F610 HydrophobicContact CB-CZ 3.72Å; P124-F610 HydrophobicContact CG-CE1 4.38Å; P124-F610 HydrophobicContact CG-CZ 3.83Å; T137-F610 HydrophobicContact CG2-CD1 3.29Å; T137-F610 HydrophobicContact CG2-CE1 3.62Å; T137-F610 HydrophobicContact CG2-CG 4.38Å; S139-F610 WeakPolarHBondContact CB-O 3.33Å; S139-F610 PolarHBondContact OG-O 3.17Å; R175-F610 HydrophobicContact CG-CE1 4.15Å; R175-F610 HydrophobicContact CG-CZ 4.32Å; L177-F610 HydrophobicContact CB-CD1 3.58Å; L177-F610 HydrophobicContact CB-CE1 3.57Å; L177-F610 HydrophobicContact CB-CG 4.13Å; L177-F610 HydrophobicContact CB-CZ 4.09Å; L177-F610 HydrophobicContact CD2-CB 3.8Å; L177-F610 HydrophobicContact CD2-CD1 3.83Å; L177-F610 HydrophobicContact CD2-CD2 3.49Å; L177-F610 VanDerWaalsContact CD2-CD2 3.49Å; L177-F610 HydrophobicContact CD2-CE1 4.26Å; L177-F610 HydrophobicContact CD2-CE2 3.95Å; L177-F610 HydrophobicContact CD2-CG 3.43Å; L177-F610 VanDerWaalsContact CD2-CG 3.43Å; L177-F610 HydrophobicContact CD2-CZ 4.31Å; L177-F610 HydrophobicContact CG-CD1 4.34Å; L177-F610 HydrophobicContact CG-CG 4.41Å; L598-F610 HydrophobicContact CD1-CB 4.1Å; L598-F610 HydrophobicContact CD2-CB 4.13Å; D606-F610 HydrophobicContact CB-CD2 4.31Å; D606-F610 WeakPolarHBondContact O-CB 3.27Å; D606-F610 WeakPolarHBondContact O-CD2 3.37Å; D606-F610 PolarHBondContact O-N 3.12Å; F610-P612 CarbonylContact O-C 3.57Å; F610-N613 PolarHBondContact O-OD1 3.24Å
611	Y	96.7	Very high	95.4	Very high	22 Å²	22	44.9 Å²	44.9	9%	0.086	23%	0.231	C	C	.	.			trans	-104.3	135.9	172.5	-169.1	-103.8	0	0	0	111.4	F595 L607 T638 Q640 P642	F595-Y611 HydrophobicContact CB-CD2 3.93Å; F595-Y611 HydrophobicContact CB-CE2 3.78Å; F595-Y611 HydrophobicContact CB-CG 4.49Å; F595-Y611 HydrophobicContact CD1-CE2 4.11Å; F595-Y611 HydrophobicContact CG-CE2 4.41Å; L607-Y611 HydrophobicContact CD1-CD1 4.29Å; L607-Y611 HydrophobicContact CD1-CG 4Å; L607-Y611 WeakPolarHBondContact O-CB 3.44Å; L607-Y611 PolarHBondContact O-N 3.36Å; L607-Y611 VanDerWaalsContact O-N 3.14Å; Y611-T638 HydrophobicContact CE1-CG2 3.96Å; Y611-T638 WeakPolarHBondContact CE1-OG1 3.28Å; Y611-T638 PolarHBondContact OH-OG1 3.03Å; Y611-Q640 HydrophobicContact CE1-CB 4.12Å; Y611-Q640 PolarHBondContact OH-O 2.81Å; Y611-P642 HydrophobicContact CE2-CB 4.26Å; Y611-P642 WeakPolarHBondContact OH-CA 3.39Å
612	P	96.9	Very high	95.2	Very high	38 Å²	38	45.1 Å²	45.1	25%	0.247	23%	0.23	C	C	.	.	S	Bend	cis	-69.3	153.2	-1.9	32.5	-38.4	0	0	0	112.7	F610 L641	F610-P612 CarbonylContact O-C 3.57Å; P612-L641 WeakPolarHBondContact CB-O 3.23Å
613	N	96.9	Very high	95.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-61.6	146.8	177.6	-74.9	-3.5	0	0	0	110.4	S139 F610 P642 F643	S139-N613 WeakPolarHBondContact OG-CA 3.48Å; F610-N613 PolarHBondContact O-OD1 3.24Å; N613-P642 WeakPolarHBondContact CB-O 3.43Å; N613-P642 PolarHBondContact N-O 2.93Å; N613-F643 HydrophobicContact CB-CB 4.23Å; N613-F643 VanDerWaalsContact O-CA 3.26Å; N613-F643 WeakPolarHBondContact O-CA 3.46Å
614	S	97.1	Very high	94.9	Very high	32 Å²	32	32 Å²	32	22%	0.224	17%	0.171	C	C	.	.	S	Bend	trans	-69.2	-39.9	179.6	-53.7	0	0	0	0	112	T137 F138 S139	T137-S614 PolarHBondContact O-OG 3.44Å; F138-S614 WeakPolarHBondContact CA-OG 3.35Å; S139-S614 PolarHBondContact N-OG 3.46Å; S139-S614 PolarHBondContact O-N 3.42Å; S139-S614 PolarHBondContact OG-N 3Å
615	L	97.6	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.			trans	-146	144.3	-178.3	178.6	65.7	0	0	0	109.7	F138 S139 L140 L165 E617 Q645 L647 Y801	F138-L615 HydrophobicContact CE2-CB 4.3Å; F138-L615 HydrophobicContact CZ-CB 4.24Å; F138-L615 HydrophobicContact CZ-CD2 4.18Å; S139-L615 PolarHBondContact O-N 3.09Å; L140-L615 WeakPolarHBondContact CB-O 3.43Å; L165-L615 HydrophobicContact CD1-CD2 3.78Å; L615-E617 HydrophobicContact CD2-CB 4.37Å; L615-Q645 HydrophobicContact CD1-CB 3.87Å; L615-L647 HydrophobicContact CD1-CB 3.91Å; L615-Y801 HydrophobicContact CD2-CE1 4.11Å
616	L	98.1	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.1	156.2	-179	77.5	0	0	0	108.7	T618 W626 V627 M630 F643 Q645 V646 L647	L616-T618 HydrophobicContact CD2-CG2 4.42Å; L616-W626 HydrophobicContact CD1-CH2 3.87Å; L616-W626 HydrophobicContact CD1-CZ3 3.96Å; L616-V627 HydrophobicContact CD2-CB 4.33Å; L616-V627 HydrophobicContact CD2-CG1 4.1Å; L616-V627 HydrophobicContact CD2-CG2 3.63Å; L616-M630 HydrophobicContact CD1-CE 4.05Å; L616-M630 HydrophobicContact CD2-CE 3.33Å; L616-M630 HydrophobicContact CG-CE 4.34Å; L616-F643 HydrophobicContact CB-CB 4.36Å; L616-F643 HydrophobicContact CB-CD1 3.66Å; L616-F643 HydrophobicContact CB-CD2 4.17Å; L616-F643 HydrophobicContact CB-CE1 3.97Å; L616-F643 HydrophobicContact CB-CE2 4.46Å; L616-F643 HydrophobicContact CB-CG 3.77Å; L616-F643 HydrophobicContact CB-CZ 4.36Å; L616-F643 HydrophobicContact CD1-CE1 4.45Å; L616-F643 HydrophobicContact CD2-CD1 4.19Å; L616-F643 HydrophobicContact CD2-CE1 3.6Å; L616-F643 HydrophobicContact CD2-CE2 4.31Å; L616-F643 HydrophobicContact CD2-CZ 3.67Å; L616-F643 HydrophobicContact CG-CD1 4.34Å; L616-F643 HydrophobicContact CG-CE1 4.21Å; L616-Q645 PolarHBondContact N-O 3.49Å; L616-V646 HydrophobicContact CB-CG2 4.48Å; L616-V646 HydrophobicContact CD2-CG1 4.23Å; L616-V646 CarbonylContact O-C 3.56Å; L616-V646 VanDerWaalsContact O-CA 3.31Å; L616-V646 WeakPolarHBondContact O-CA 3.34Å; L616-L647 PolarHBondContact O-N 3.38Å
617	E	97.4	Very high	94.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.7	171.1	-172.6	-82.1	176.2	0	0	109.1	T158 V161 Q162 L615 L647 H649	T158-E617 WeakPolarHBondContact CG2-OE2 3.38Å; V161-E617 HydrophobicContact CG1-CG 3.85Å; V161-E617 VanDerWaalsContact CG1-OE1 3.3Å; V161-E617 WeakPolarHBondContact CG1-OE1 3.28Å; Q162-E617 HydrophobicContact CG-CB 4.01Å; Q162-E617 HydrophobicContact CG-CG 4.23Å; Q162-E617 WeakPolarHBondContact CG-OE2 3.45Å; Q162-E617 PolarHBondContact NE2-O 3.32Å; Q162-E617 PolarHBondContact NE2-OE2 2.93Å; L615-E617 HydrophobicContact CD2-CB 4.37Å; E617-L647 WeakPolarHBondContact CA-O 3.28Å; E617-L647 HydrophobicContact CB-CB 4.32Å; E617-L647 HydrophobicContact CG-CB 4.17Å; E617-L647 HydrophobicContact CG-CD2 3.85Å; E617-L647 HydrophobicContact CG-CG 4.03Å; E617-H649 IonicContact OE1-CD2 2.69Å; E617-H649 PolarHBondContact OE1-CD2 3.4Å; E617-H649 IonicContact OE1-CG 3.31Å; E617-H649 IonicContact OE1-NE2 3.69Å; E617-H649 IonicContact OE2-CD2 3.44Å
618	T	96.7	Very high	94.2	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	169.5	-179.2	-160	0	0	0	0	113.5	L616 L622 V627 L647 F648 H649	L616-T618 HydrophobicContact CD2-CG2 4.42Å; T618-L622 HydrophobicContact CG2-CB 4.29Å; T618-L622 WeakPolarHBondContact OG1-CD1 3.5Å; T618-V627 HydrophobicContact CG2-CG2 3.84Å; T618-L647 PolarHBondContact N-O 3.34Å; T618-F648 HydrophobicContact CG2-CD1 3.89Å; T618-F648 HydrophobicContact CG2-CE1 3.72Å; T618-F648 VanDerWaalsContact O-CA 3.3Å; T618-F648 WeakPolarHBondContact O-CA 3.34Å; T618-H649 PolarHBondContact O-CD2 3.23Å; T618-H649 PolarHBondContact O-N 2.94Å
619	G	93.5	Very high	94.2	Very high	4 Å²	4	20.2 Å²	20.2	4%	0.041	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142.8	176.7	0	0	0	0	0	111.7	D621 L622 H649	G619-D621 PolarHBondContact O-N 2.97Å; G619-L622 PolarHBondContact O-N 3.07Å; G619-H649 WeakPolarHBondContact CA-NE2 3.35Å; G619-H649 PolarHBondContact N-CD2 3.49Å; G619-H649 PolarHBondContact N-NE2 3.06Å; G619-H649 VanDerWaalsContact N-NE2 3.15Å
620	S	90.9	Very high	94.4	Very high	24 Å²	24	16.4 Å²	16.4	17%	0.168	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-59.1	-15.3	179.3	66.8	0	0	0	0	114.7	Y505 L622 I623 H649	Y505-S620 WeakPolarHBondContact OH-CB 3.33Å; S620-L622 VanDerWaalsContact C-N 3.28Å; S620-L622 PolarHBondContact O-N 3.48Å; S620-I623 WeakPolarHBondContact O-CG2 3.44Å; S620-H649 PolarHBondContact N-O 3.03Å
621	D	87.3	Confident	94.5	Very high	54 Å²	54	16.2 Å²	16.2	29%	0.289	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-76.2	-10.6	175.9	58.2	-28.9	0	0	0	114	G619 F625 L651 K659	G619-D621 PolarHBondContact O-N 2.97Å; D621-F625 WeakPolarHBondContact O-CD2 3.39Å; D621-F625 WeakPolarHBondContact O-CE2 3.42Å; D621-L651 HydrophobicContact CB-CD1 4.15Å; D621-L651 HydrophobicContact CB-CD2 4.34Å; D621-L651 VanDerWaalsContact OD1-CD2 3.3Å; D621-L651 WeakPolarHBondContact OD1-CD2 3.31Å; D621-K659 IonicContact OD2-NZ 3.2Å; D621-K659 PolarHBondContact OD2-NZ 2.83Å
622	L	91.6	Very high	94.5	Very high	38 Å²	38	15.4 Å²	15.4	20%	0.199	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-99.8	3.8	-179.3	-63.2	-174.8	0	0	0	114.5	W587 T618 G619 S620 F624 F625 W626 V627	W587-L622 HydrophobicContact CH2-CD2 3.97Å; W587-L622 HydrophobicContact CZ3-CD2 4.34Å; T618-L622 HydrophobicContact CG2-CB 4.29Å; T618-L622 WeakPolarHBondContact OG1-CD1 3.5Å; G619-L622 PolarHBondContact O-N 3.07Å; S620-L622 VanDerWaalsContact C-N 3.28Å; S620-L622 PolarHBondContact O-N 3.48Å; L622-F624 VanDerWaalsContact C-N 3.33Å; L622-F624 PolarHBondContact O-N 3.27Å; L622-F625 PolarHBondContact O-N 2.98Å; L622-W626 HydrophobicContact CB-CB 4.2Å; L622-W626 HydrophobicContact CD1-CE3 4Å; L622-W626 PolarHBondContact O-N 3.4Å; L622-V627 PolarHBondContact O-N 3.19Å; L622-V627 VanDerWaalsContact O-N 3.1Å
623	I	93.5	Very high	94.6	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.021	7%	0.072	C	C	.	.	I	π-helix	trans	-51.3	-45.8	-176.7	-175.3	166.4	0	0	0	113.5	Y505 M508 W509 S620 V627 A628 F648	Y505-I623 HydrophobicContact CD1-CD1 4.21Å; Y505-I623 HydrophobicContact CG-CD1 4.36Å; M508-I623 HydrophobicContact SD-CG2 4.49Å; W509-I623 HydrophobicContact CE3-CD1 4.3Å; W509-I623 HydrophobicContact CE3-CG1 3.88Å; W509-I623 HydrophobicContact CZ3-CG1 4.28Å; S620-I623 WeakPolarHBondContact O-CG2 3.44Å; I623-V627 WeakPolarHBondContact O-CB 3.46Å; I623-A628 PolarHBondContact O-N 3.48Å; I623-F648 HydrophobicContact CB-CE1 3.95Å; I623-F648 HydrophobicContact CB-CE2 4.41Å; I623-F648 HydrophobicContact CB-CZ 3.7Å; I623-F648 HydrophobicContact CD1-CE2 3.9Å; I623-F648 HydrophobicContact CD1-CZ 4.02Å; I623-F648 HydrophobicContact CG1-CE1 4.39Å; I623-F648 HydrophobicContact CG1-CE2 4.05Å; I623-F648 HydrophobicContact CG1-CZ 3.63Å
624	F	89.4	Confident	94.6	Very high	30 Å²	30	13.7 Å²	13.7	13%	0.132	7%	0.072	C	C	.	.	I	π-helix	trans	-92.4	-34.4	-175.5	-56.5	-46.9	0	0	0	113.5	M508 W512 L622	M508-F624 HydrophobicContact CG-CE1 4.05Å; M508-F624 HydrophobicContact CG-CE2 4.16Å; M508-F624 HydrophobicContact CG-CZ 3.32Å; M508-F624 HydrophobicContact SD-CE2 4.26Å; M508-F624 HydrophobicContact SD-CZ 3.95Å; W512-F624 HydrophobicContact CB-CD1 3.79Å; W512-F624 HydrophobicContact CB-CE1 3.22Å; W512-F624 HydrophobicContact CB-CE2 4.36Å; W512-F624 HydrophobicContact CB-CZ 3.51Å; W512-F624 AromaticContact CD1-CD2 3.98Å; W512-F624 AromaticContact CD1-CE2 3.95Å; W512-F624 AromaticContact CD1-CZ 3.95Å; W512-F624 HydrophobicContact CD2-CB 3.99Å; W512-F624 AromaticContact CD2-CD1 3.4Å; W512-F624 HydrophobicContact CD2-CD1 3.4Å; W512-F624 HydrophobicContact CD2-CD2 4.41Å; W512-F624 AromaticContact CD2-CE1 3.87Å; W512-F624 HydrophobicContact CD2-CE1 3.87Å; W512-F624 AromaticContact CD2-CG 3.69Å; W512-F624 HydrophobicContact CD2-CG 3.69Å; W512-F624 HydrophobicContact CD2-CZ 4.48Å; W512-F624 AromaticContact CE2-CG 3.84Å; W512-F624 HydrophobicContact CE3-CB 4.22Å; W512-F624 AromaticContact CE3-CD1 3.58Å; W512-F624 HydrophobicContact CE3-CD1 3.58Å; W512-F624 HydrophobicContact CE3-CE1 4.22Å; W512-F624 HydrophobicContact CE3-CG 4.14Å; W512-F624 AromaticContact CG-CD1 3.48Å; W512-F624 HydrophobicContact CG-CD1 3.48Å; W512-F624 VanDerWaalsContact CG-CD1 3.48Å; W512-F624 HydrophobicContact CG-CD2 4.17Å; W512-F624 AromaticContact CG-CE1 3.42Å; W512-F624 HydrophobicContact CG-CE1 3.42Å; W512-F624 VanDerWaalsContact CG-CE1 3.42Å; W512-F624 HydrophobicContact CG-CE2 4.1Å; W512-F624 AromaticContact CG-CG 3.84Å; W512-F624 HydrophobicContact CG-CG 3.84Å; W512-F624 AromaticContact CG-CZ 3.69Å; W512-F624 HydrophobicContact CG-CZ 3.69Å; W512-F624 HydrophobicContact CH2-CB 4.07Å; W512-F624 HydrophobicContact CZ2-CB 3.85Å; W512-F624 HydrophobicContact CZ2-CG 4.41Å; W512-F624 HydrophobicContact CZ3-CB 4.25Å; W512-F624 HydrophobicContact CZ3-CD1 4.33Å; L622-F624 VanDerWaalsContact C-N 3.33Å; L622-F624 PolarHBondContact O-N 3.27Å
625	F	81.1	Confident	94.6	Very high	59 Å²	59	13.5 Å²	13.5	26%	0.259	7%	0.071	S	C	.	.	I	π-helix	trans	-85.3	-28.1	-168.3	-43.3	-58	0	0	0	112.1	I289 W587 D621 L622 R629	I289-F625 HydrophobicContact CB-CD1 3.83Å; I289-F625 HydrophobicContact CB-CE1 3.61Å; I289-F625 HydrophobicContact CB-CZ 4.14Å; I289-F625 HydrophobicContact CD1-CB 3.95Å; I289-F625 HydrophobicContact CD1-CD1 3.44Å; I289-F625 VanDerWaalsContact CD1-CD1 3.44Å; I289-F625 HydrophobicContact CD1-CD2 3.25Å; I289-F625 HydrophobicContact CD1-CE1 3.65Å; I289-F625 HydrophobicContact CD1-CE2 3.46Å; I289-F625 VanDerWaalsContact CD1-CE2 3.46Å; I289-F625 HydrophobicContact CD1-CG 3.23Å; I289-F625 HydrophobicContact CD1-CZ 3.66Å; I289-F625 HydrophobicContact CG1-CD1 3.75Å; I289-F625 HydrophobicContact CG1-CD2 4.06Å; I289-F625 HydrophobicContact CG1-CE1 3.45Å; I289-F625 VanDerWaalsContact CG1-CE1 3.45Å; I289-F625 HydrophobicContact CG1-CE2 3.77Å; I289-F625 HydrophobicContact CG1-CG 4.04Å; I289-F625 HydrophobicContact CG1-CZ 3.47Å; I289-F625 VanDerWaalsContact CG1-CZ 3.47Å; W587-F625 HydrophobicContact CD2-CB 4.17Å; W587-F625 HydrophobicContact CE3-CB 4.11Å; W587-F625 VanDerWaalsContact CE3-O 3.28Å; W587-F625 HydrophobicContact CH2-CB 4.04Å; W587-F625 HydrophobicContact CZ2-CB 4.08Å; W587-F625 HydrophobicContact CZ3-CB 4.06Å; D621-F625 WeakPolarHBondContact O-CD2 3.39Å; D621-F625 WeakPolarHBondContact O-CE2 3.42Å; L622-F625 PolarHBondContact O-N 2.98Å; F625-R629 VanDerWaalsContact O-CG 3.3Å; F625-R629 WeakPolarHBondContact O-CG 3.4Å
626	W	93.6	Very high	94.6	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.027	9%	0.085	C	C	.	.	I	π-helix	trans	-122.4	-55.7	-178	-164.3	38.6	0	0	0	111.4	P143 W587 S590 L616 L622 R629 M630	P143-W626 VanDerWaalsContact CA-CH2 3.41Å; P143-W626 HydrophobicContact CB-CE3 4.4Å; P143-W626 HydrophobicContact CB-CH2 3.8Å; P143-W626 HydrophobicContact CB-CZ3 3.54Å; P143-W626 HydrophobicContact CG-CH2 4.09Å; P143-W626 HydrophobicContact CG-CZ3 3.73Å; W587-W626 HydrophobicContact CE3-CB 4.34Å; W587-W626 HydrophobicContact CZ3-CB 4.03Å; W587-W626 HydrophobicContact CZ3-CG 4.48Å; S590-W626 PolarHBondContact O-NE1 3.17Å; L616-W626 HydrophobicContact CD1-CH2 3.87Å; L616-W626 HydrophobicContact CD1-CZ3 3.96Å; L622-W626 HydrophobicContact CB-CB 4.2Å; L622-W626 HydrophobicContact CD1-CE3 4Å; L622-W626 PolarHBondContact O-N 3.4Å; W626-R629 PolarHBondContact O-N 3.3Å; W626-M630 HydrophobicContact CB-CE 4.36Å; W626-M630 HydrophobicContact CD2-CE 3.37Å; W626-M630 HydrophobicContact CD2-SD 4.03Å; W626-M630 HydrophobicContact CE3-CE 3.71Å; W626-M630 HydrophobicContact CG-CE 3.67Å; W626-M630 HydrophobicContact CG-SD 4.32Å; W626-M630 HydrophobicContact CH2-CE 4.18Å; W626-M630 HydrophobicContact CH2-SD 4.41Å; W626-M630 HydrophobicContact CZ2-CE 3.95Å; W626-M630 HydrophobicContact CZ2-SD 3.74Å; W626-M630 HydrophobicContact CZ3-CE 4.08Å; W626-M630 PolarHBondContact NE1-SD 3.44Å; W626-M630 WeakPolarHBondContact O-CB 3.43Å; W626-M630 VanDerWaalsContact O-CG 3.32Å; W626-M630 WeakPolarHBondContact O-CG 3.11Å; W626-M630 PolarHBondContact O-N 3.09Å
627	V	97.3	Very high	94.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.088	C	C	.	.	I	π-helix	trans	-62.2	-52.2	-174.4	-174	0	0	0	0	111.7	W509 L616 T618 L622 I623 R629 M630 V631 F643 V646 F648	W509-V627 HydrophobicContact CH2-CG1 4.22Å; W509-V627 HydrophobicContact CZ3-CB 4.34Å; W509-V627 HydrophobicContact CZ3-CG1 3.99Å; L616-V627 HydrophobicContact CD2-CB 4.33Å; L616-V627 HydrophobicContact CD2-CG1 4.1Å; L616-V627 HydrophobicContact CD2-CG2 3.63Å; T618-V627 HydrophobicContact CG2-CG2 3.84Å; L622-V627 PolarHBondContact O-N 3.19Å; L622-V627 VanDerWaalsContact O-N 3.1Å; I623-V627 WeakPolarHBondContact O-CB 3.46Å; V627-R629 VanDerWaalsContact C-N 3.32Å; V627-R629 PolarHBondContact O-N 3.28Å; V627-M630 HydrophobicContact CG2-CE 4.3Å; V627-M630 PolarHBondContact O-N 2.98Å; V627-V631 WeakPolarHBondContact O-CG2 3.28Å; V627-V631 PolarHBondContact O-N 3.24Å; V627-F643 HydrophobicContact CG1-CE2 3.98Å; V627-F643 HydrophobicContact CG1-CZ 3.77Å; V627-V646 HydrophobicContact CG1-CB 4.5Å; V627-V646 HydrophobicContact CG1-CG1 3.99Å; V627-V646 HydrophobicContact CG1-CG2 3.78Å; V627-V646 HydrophobicContact CG2-CG1 4.34Å; V627-F648 HydrophobicContact CB-CZ 4.24Å; V627-F648 HydrophobicContact CG1-CZ 4.22Å; V627-F648 HydrophobicContact CG2-CE1 3.71Å; V627-F648 HydrophobicContact CG2-CZ 3.85Å
628	A	96.3	Very high	94.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.3	-41.6	177	0	0	0	0	0	112.6	W509 W512 L513 I623 V631 M632	W509-A628 VanDerWaalsContact CH2-CA 3.49Å; W509-A628 HydrophobicContact CH2-CB 3.92Å; W509-A628 HydrophobicContact CZ3-CB 3.79Å; W512-A628 HydrophobicContact CZ3-CB 3.95Å; L513-A628 HydrophobicContact CD2-CB 4.27Å; I623-A628 PolarHBondContact O-N 3.48Å; A628-V631 PolarHBondContact O-N 3.35Å; A628-M632 WeakPolarHBondContact O-CG 3.45Å; A628-M632 PolarHBondContact O-N 3.5Å
629	R	96.1	Very high	94.4	Very high	26 Å²	26	22 Å²	22	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-66.3	-40.3	178.4	-58.4	-57.7	-178.4	-166	-3	112.1	C482 W519 A591 F625 W626 V627 M632 L633	C482-R629 PolarHBondContact SG-NH1 3.05Å; W519-R629 HydrophobicContact CH2-CG 4.36Å; W519-R629 HydrophobicContact CZ3-CG 4.43Å; A591-R629 HydrophobicContact CB-CB 3.66Å; F625-R629 VanDerWaalsContact O-CG 3.3Å; F625-R629 WeakPolarHBondContact O-CG 3.4Å; W626-R629 PolarHBondContact O-N 3.3Å; V627-R629 VanDerWaalsContact C-N 3.32Å; V627-R629 PolarHBondContact O-N 3.28Å; R629-M632 PolarHBondContact O-N 2.95Å; R629-L633 WeakPolarHBondContact O-CB 3.48Å; R629-L633 WeakPolarHBondContact O-CG 3.42Å; R629-L633 PolarHBondContact O-N 2.98Å
630	M	98.1	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-43	173.2	-74.5	-174.3	-70.3	0	0	111.6	A591 P594 L616 W626 V627 G634 P642 F643	A591-M630 HydrophobicContact CB-CG 4.48Å; A591-M630 WeakPolarHBondContact O-CG 3.28Å; P594-M630 HydrophobicContact CG-CB 4.48Å; P594-M630 HydrophobicContact CG-CG 4.02Å; P594-M630 HydrophobicContact CG-SD 3.31Å; P594-M630 WeakPolarHBondContact CG-SD 3.32Å; L616-M630 HydrophobicContact CD1-CE 4.05Å; L616-M630 HydrophobicContact CD2-CE 3.33Å; L616-M630 HydrophobicContact CG-CE 4.34Å; W626-M630 HydrophobicContact CB-CE 4.36Å; W626-M630 HydrophobicContact CD2-CE 3.37Å; W626-M630 HydrophobicContact CD2-SD 4.03Å; W626-M630 HydrophobicContact CE3-CE 3.71Å; W626-M630 HydrophobicContact CG-CE 3.67Å; W626-M630 HydrophobicContact CG-SD 4.32Å; W626-M630 HydrophobicContact CH2-CE 4.18Å; W626-M630 HydrophobicContact CH2-SD 4.41Å; W626-M630 HydrophobicContact CZ2-CE 3.95Å; W626-M630 HydrophobicContact CZ2-SD 3.74Å; W626-M630 HydrophobicContact CZ3-CE 4.08Å; W626-M630 PolarHBondContact NE1-SD 3.44Å; W626-M630 WeakPolarHBondContact O-CB 3.43Å; W626-M630 VanDerWaalsContact O-CG 3.32Å; W626-M630 WeakPolarHBondContact O-CG 3.11Å; W626-M630 PolarHBondContact O-N 3.09Å; V627-M630 HydrophobicContact CG2-CE 4.3Å; V627-M630 PolarHBondContact O-N 2.98Å; M630-G634 VanDerWaalsContact O-CA 3.29Å; M630-G634 WeakPolarHBondContact O-CA 3.35Å; M630-G634 PolarHBondContact O-N 2.66Å; M630-P642 HydrophobicContact CB-CG 4.23Å; M630-P642 WeakPolarHBondContact O-CG 3.17Å; M630-F643 HydrophobicContact CB-CE1 4.01Å; M630-F643 HydrophobicContact CB-CZ 4.22Å; M630-F643 HydrophobicContact CE-CE1 3.92Å; M630-F643 HydrophobicContact CE-CZ 4.24Å; M630-F643 HydrophobicContact SD-CE1 4.08Å
631	V	98.3	Very high	94.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.5	-46.4	178.5	173.3	0	0	0	0	110.8	A489 L498 W509 V627 A628 S635 L641 P642 F643	A489-V631 HydrophobicContact CB-CG1 3.64Å; L498-V631 HydrophobicContact CD2-CG1 4.31Å; L498-V631 HydrophobicContact CD2-CG2 3.79Å; W509-V631 HydrophobicContact CH2-CB 4.24Å; W509-V631 HydrophobicContact CH2-CG2 3.97Å; W509-V631 HydrophobicContact CZ2-CB 4.43Å; W509-V631 HydrophobicContact CZ2-CG1 4.39Å; W509-V631 HydrophobicContact CZ2-CG2 4.36Å; V627-V631 WeakPolarHBondContact O-CG2 3.28Å; V627-V631 PolarHBondContact O-N 3.24Å; A628-V631 PolarHBondContact O-N 3.35Å; V631-S635 VanDerWaalsContact O-CB 3.25Å; V631-S635 WeakPolarHBondContact O-CB 3.47Å; V631-S635 PolarHBondContact O-N 3.18Å; V631-S635 VanDerWaalsContact O-N 3.1Å; V631-S635 PolarHBondContact O-OG 3.19Å; V631-L641 HydrophobicContact CG1-CD2 3.87Å; V631-P642 HydrophobicContact CG2-CG 4.12Å; V631-F643 HydrophobicContact CG2-CE2 3.68Å; V631-F643 HydrophobicContact CG2-CZ 3.74Å
632	M	97.6	Very high	95.4	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-56.8	178.5	-73.3	-171.6	-69.5	0	0	112.1	M485 A486 A489 L513 I516 A628 R629 E636	M485-M632 HydrophobicContact CB-CB 3.8Å; M485-M632 HydrophobicContact CB-CG 3.69Å; M485-M632 HydrophobicContact CB-SD 3.96Å; M485-M632 HydrophobicContact SD-CB 4.06Å; A486-M632 HydrophobicContact CB-SD 4.13Å; A489-M632 HydrophobicContact CB-CG 4.44Å; L513-M632 HydrophobicContact CD2-SD 4.49Å; I516-M632 HydrophobicContact CD1-CE 4.09Å; I516-M632 HydrophobicContact CD1-SD 4.36Å; A628-M632 WeakPolarHBondContact O-CG 3.45Å; A628-M632 PolarHBondContact O-N 3.5Å; R629-M632 PolarHBondContact O-N 2.95Å; M632-E636 WeakPolarHBondContact O-CB 3.38Å; M632-E636 PolarHBondContact O-N 3.48Å; M632-E636 VanDerWaalsContact O-N 3.13Å
633	L	98.1	Very high	95.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-71.9	-36	-176.1	-61.8	-168	0	0	0	112.6	L263 M485 W519 F588 A591 L592 R629 E636 L637	L263-L633 HydrophobicContact CD1-CD2 4.02Å; M485-L633 HydrophobicContact CE-CD2 4.39Å; M485-L633 HydrophobicContact SD-CD2 4.27Å; W519-L633 HydrophobicContact CZ3-CD1 4.15Å; F588-L633 HydrophobicContact CD2-CD1 4.18Å; F588-L633 HydrophobicContact CE2-CD1 4.19Å; A591-L633 HydrophobicContact CB-CD1 3.8Å; A591-L633 HydrophobicContact CB-CG 4.43Å; L592-L633 HydrophobicContact CD2-CB 4.17Å; L592-L633 HydrophobicContact CD2-CD1 3.84Å; R629-L633 WeakPolarHBondContact O-CB 3.48Å; R629-L633 WeakPolarHBondContact O-CG 3.42Å; R629-L633 PolarHBondContact O-N 2.98Å; L633-E636 PolarHBondContact O-N 2.81Å; L633-L637 HydrophobicContact CB-CD1 4.28Å; L633-L637 VanDerWaalsContact O-CB 3.24Å; L633-L637 WeakPolarHBondContact O-CB 3.39Å; L633-L637 WeakPolarHBondContact O-CG 3.24Å; L633-L637 PolarHBondContact O-N 3.4Å
634	G	97.1	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-48	176.2	0	0	0	0	0	111.6	M630 E636 T638 Q640	M630-G634 VanDerWaalsContact O-CA 3.29Å; M630-G634 WeakPolarHBondContact O-CA 3.35Å; M630-G634 PolarHBondContact O-N 2.66Å; G634-E636 VanDerWaalsContact C-N 3.34Å; G634-E636 PolarHBondContact O-N 2.68Å; G634-T638 WeakPolarHBondContact O-CB 3.24Å; G634-T638 WeakPolarHBondContact O-CG2 3.22Å; G634-T638 PolarHBondContact O-N 3.34Å; G634-T638 PolarHBondContact O-OG1 3.5Å; G634-Q640 CarbonylContact C-O 3.51Å; G634-Q640 VanDerWaalsContact C-O 3.28Å
635	S	96.4	Very high	96	Very high	28 Å²	28	30 Å²	30	20%	0.196	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-42.1	177.9	-54.7	0	0	0	0	111.8	V631 G639 Q640	V631-S635 VanDerWaalsContact O-CB 3.25Å; V631-S635 WeakPolarHBondContact O-CB 3.47Å; V631-S635 PolarHBondContact O-N 3.18Å; V631-S635 VanDerWaalsContact O-N 3.1Å; V631-S635 PolarHBondContact O-OG 3.19Å; S635-G639 WeakPolarHBondContact O-CA 3.19Å; S635-G639 PolarHBondContact O-N 2.89Å; S635-Q640 VanDerWaalsContact CA-O 3.3Å; S635-Q640 WeakPolarHBondContact CA-O 3.49Å; S635-Q640 PolarHBondContact N-O 3.48Å
636	E	97.4	Very high	96.8	Very high	63 Å²	63	27.2 Å²	27.2	29%	0.294	15%	0.149	S	C	.	.	H	α-helix	trans	-73.9	-41.3	-176.9	-165.6	60.7	-147.5	0	0	112.9	L263 L268 M485 K488 M632 L633 G634	L263-E636 HydrophobicContact CD2-CG 4.04Å; L268-E636 HydrophobicContact CD1-CG 3.45Å; L268-E636 VanDerWaalsContact CD1-CG 3.45Å; M485-E636 HydrophobicContact CG-CB 4.47Å; M485-E636 HydrophobicContact SD-CB 3.83Å; M485-E636 HydrophobicContact SD-CG 4.04Å; K488-E636 IonicContact NZ-OE2 2.79Å; K488-E636 PolarHBondContact NZ-OE2 3.12Å; M632-E636 WeakPolarHBondContact O-CB 3.38Å; M632-E636 PolarHBondContact O-N 3.48Å; M632-E636 VanDerWaalsContact O-N 3.13Å; L633-E636 PolarHBondContact O-N 2.81Å; G634-E636 VanDerWaalsContact C-N 3.34Å; G634-E636 PolarHBondContact O-N 2.68Å
637	L	97.7	Very high	97	Very high	15 Å²	15	26.9 Å²	26.9	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-85.2	-25	-174.9	-68.8	168.6	0	0	0	114	A259 R262 L263 L592 F595 W600 L633	A259-L637 HydrophobicContact CB-CD1 3.64Å; A259-L637 HydrophobicContact CB-CD2 4.31Å; R262-L637 HydrophobicContact CB-CD2 4.01Å; L263-L637 HydrophobicContact CD2-CD2 4.27Å; L263-L637 HydrophobicContact CG-CD2 4.1Å; L592-L637 HydrophobicContact CD2-CD1 3.53Å; F595-L637 HydrophobicContact CE2-CD1 4.39Å; F595-L637 HydrophobicContact CZ-CD1 4.11Å; W600-L637 HydrophobicContact CH2-CD1 4.2Å; W600-L637 HydrophobicContact CH2-CD2 4.33Å; W600-L637 HydrophobicContact CZ2-CB 4.04Å; W600-L637 HydrophobicContact CZ2-CD2 4.32Å; L633-L637 HydrophobicContact CB-CD1 4.28Å; L633-L637 VanDerWaalsContact O-CB 3.24Å; L633-L637 WeakPolarHBondContact O-CB 3.39Å; L633-L637 WeakPolarHBondContact O-CG 3.24Å; L633-L637 PolarHBondContact O-N 3.4Å
638	T	96.6	Very high	97	Very high	37 Å²	37	26.9 Å²	26.9	23%	0.227	15%	0.147	C	C	.	.	H	α-helix	trans	-115.5	-15.7	-175.6	79.1	0	0	0	0	113.6	F595 Y611 G634 Q640	F595-T638 HydrophobicContact CB-CG2 4.41Å; F595-T638 HydrophobicContact CD1-CG2 4.2Å; F595-T638 HydrophobicContact CD2-CG2 4.17Å; F595-T638 HydrophobicContact CE1-CG2 4.48Å; F595-T638 HydrophobicContact CE2-CG2 4.44Å; F595-T638 HydrophobicContact CG-CG2 4.01Å; Y611-T638 HydrophobicContact CE1-CG2 3.96Å; Y611-T638 WeakPolarHBondContact CE1-OG1 3.28Å; Y611-T638 PolarHBondContact OH-OG1 3.03Å; G634-T638 WeakPolarHBondContact O-CB 3.24Å; G634-T638 WeakPolarHBondContact O-CG2 3.22Å; G634-T638 PolarHBondContact O-N 3.34Å; G634-T638 PolarHBondContact O-OG1 3.5Å; T638-Q640 PolarHBondContact O-N 3.2Å; T638-Q640 PolarHBondContact OG1-N 2.89Å; T638-Q640 VanDerWaalsContact OG1-N 3.15Å; T638-Q640 PolarHBondContact OG1-O 3.23Å
639	G	95.6	Very high	96.9	Very high	66 Å²	66	27.2 Å²	27.2	68%	0.68	15%	0.149	S	C	*	.	S	Bend	trans	75.2	6.6	-172.6	0	0	0	0	0	114.4	S635	S635-G639 WeakPolarHBondContact O-CA 3.19Å; S635-G639 PolarHBondContact O-N 2.89Å
640	Q	95.6	Very high	96.6	Very high	103 Å²	103	26.5 Å²	26.5	48%	0.481	15%	0.148	S	C	.	.	S	Bend	trans	-135.9	153.9	-178.1	-58.1	-179.3	41.6	0	0	111.1	Y611 G634 S635 T638	Y611-Q640 HydrophobicContact CE1-CB 4.12Å; Y611-Q640 PolarHBondContact OH-O 2.81Å; G634-Q640 CarbonylContact C-O 3.51Å; G634-Q640 VanDerWaalsContact C-O 3.28Å; S635-Q640 VanDerWaalsContact CA-O 3.3Å; S635-Q640 WeakPolarHBondContact CA-O 3.49Å; S635-Q640 PolarHBondContact N-O 3.48Å; T638-Q640 PolarHBondContact O-N 3.2Å; T638-Q640 PolarHBondContact OG1-N 2.89Å; T638-Q640 VanDerWaalsContact OG1-N 3.15Å; T638-Q640 PolarHBondContact OG1-O 3.23Å
641	L	97.6	Very high	96.2	Very high	33 Å²	33	28.1 Å²	28.1	17%	0.173	16%	0.156	C	C	.	.			trans	-63.2	141.5	171	-70.6	171.4	0	0	0	110.1	A492 Q497 L498 P612 V631 F643	A492-L641 HydrophobicContact CB-CD1 4.2Å; A492-L641 HydrophobicContact CB-CD2 3.96Å; Q497-L641 HydrophobicContact CB-CD1 3.72Å; Q497-L641 WeakPolarHBondContact O-CD1 3.45Å; L498-L641 HydrophobicContact CB-CD1 4.08Å; P612-L641 WeakPolarHBondContact CB-O 3.23Å; V631-L641 HydrophobicContact CG1-CD2 3.87Å; L641-F643 PolarHBondContact O-N 3.06Å
642	P	97.6	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-66.9	-23.3	179.7	29.8	-39.4	0	0	0	114.3	P594 Y611 N613 M630 V631	P594-P642 HydrophobicContact CB-CB 4.15Å; P594-P642 HydrophobicContact CG-CB 4.24Å; Y611-P642 HydrophobicContact CE2-CB 4.26Å; Y611-P642 WeakPolarHBondContact OH-CA 3.39Å; N613-P642 WeakPolarHBondContact CB-O 3.43Å; N613-P642 PolarHBondContact N-O 2.93Å; M630-P642 HydrophobicContact CB-CG 4.23Å; M630-P642 WeakPolarHBondContact O-CG 3.17Å; V631-P642 HydrophobicContact CG2-CG 4.12Å
643	F	97.4	Very high	95.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-158.4	156.3	179.5	35.2	-100.3	0	0	0	109.6	L498 N613 L616 V627 M630 V631 L641 V646	L498-F643 HydrophobicContact CD1-CD2 3.73Å; L498-F643 HydrophobicContact CD1-CE2 3.93Å; N613-F643 HydrophobicContact CB-CB 4.23Å; N613-F643 VanDerWaalsContact O-CA 3.26Å; N613-F643 WeakPolarHBondContact O-CA 3.46Å; L616-F643 HydrophobicContact CB-CB 4.36Å; L616-F643 HydrophobicContact CB-CD1 3.66Å; L616-F643 HydrophobicContact CB-CD2 4.17Å; L616-F643 HydrophobicContact CB-CE1 3.97Å; L616-F643 HydrophobicContact CB-CE2 4.46Å; L616-F643 HydrophobicContact CB-CG 3.77Å; L616-F643 HydrophobicContact CB-CZ 4.36Å; L616-F643 HydrophobicContact CD1-CE1 4.45Å; L616-F643 HydrophobicContact CD2-CD1 4.19Å; L616-F643 HydrophobicContact CD2-CE1 3.6Å; L616-F643 HydrophobicContact CD2-CE2 4.31Å; L616-F643 HydrophobicContact CD2-CZ 3.67Å; L616-F643 HydrophobicContact CG-CD1 4.34Å; L616-F643 HydrophobicContact CG-CE1 4.21Å; V627-F643 HydrophobicContact CG1-CE2 3.98Å; V627-F643 HydrophobicContact CG1-CZ 3.77Å; M630-F643 HydrophobicContact CB-CE1 4.01Å; M630-F643 HydrophobicContact CB-CZ 4.22Å; M630-F643 HydrophobicContact CE-CE1 3.92Å; M630-F643 HydrophobicContact CE-CZ 4.24Å; M630-F643 HydrophobicContact SD-CE1 4.08Å; V631-F643 HydrophobicContact CG2-CE2 3.68Å; V631-F643 HydrophobicContact CG2-CZ 3.74Å; L641-F643 PolarHBondContact O-N 3.06Å; F643-V646 HydrophobicContact CD2-CG2 3.44Å; F643-V646 VanDerWaalsContact CD2-CG2 3.44Å; F643-V646 HydrophobicContact CE2-CG2 3.17Å; F643-V646 HydrophobicContact CZ-CG2 4.1Å
644	K	93.9	Very high	94.5	Very high	134 Å²	134	32 Å²	32	58%	0.583	17%	0.172	S	C	*	.	S	Bend	trans	-88.4	-27.6	178.5	-63.1	-175.8	179.8	-178	0	113.6	L498 E499	L498-K644 WeakPolarHBondContact CA-O 3.22Å; E499-K644 PolarHBondContact N-O 3.11Å
645	Q	97.4	Very high	93.5	Very high	51 Å²	51	38.5 Å²	38.5	24%	0.238	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.8	-176.2	-59.6	-179.4	-40	0	0	110.2	E499 L615 L616 Y801	E499-Q645 HydrophobicContact CB-CB 4.45Å; E499-Q645 HydrophobicContact CB-CG 4.01Å; E499-Q645 CarbonylContact O-C 3.58Å; E499-Q645 WeakPolarHBondContact O-CA 3.42Å; E499-Q645 PolarHBondContact OE2-NE2 2.81Å; L615-Q645 HydrophobicContact CD1-CB 3.87Å; L616-Q645 PolarHBondContact N-O 3.49Å; Q645-Y801 PolarHBondContact OE1-OH 3.36Å
646	V	97.8	Very high	92.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.2	172.5	-173.6	0	0	0	0	109.4	L498 E499 I501 L616 V627 F643 F648	L498-V646 HydrophobicContact CD1-CG2 3.99Å; E499-V646 PolarHBondContact O-N 2.64Å; I501-V646 WeakPolarHBondContact CB-O 3.49Å; I501-V646 PolarHBondContact N-O 2.79Å; L616-V646 HydrophobicContact CB-CG2 4.48Å; L616-V646 HydrophobicContact CD2-CG1 4.23Å; L616-V646 CarbonylContact O-C 3.56Å; L616-V646 VanDerWaalsContact O-CA 3.31Å; L616-V646 WeakPolarHBondContact O-CA 3.34Å; V627-V646 HydrophobicContact CG1-CB 4.5Å; V627-V646 HydrophobicContact CG1-CG1 3.99Å; V627-V646 HydrophobicContact CG1-CG2 3.78Å; V627-V646 HydrophobicContact CG2-CG1 4.34Å; F643-V646 HydrophobicContact CD2-CG2 3.44Å; F643-V646 VanDerWaalsContact CD2-CG2 3.44Å; F643-V646 HydrophobicContact CE2-CG2 3.17Å; F643-V646 HydrophobicContact CZ-CG2 4.1Å; V646-F648 HydrophobicContact CB-CE2 4.34Å; V646-F648 HydrophobicContact CB-CZ 4.5Å; V646-F648 HydrophobicContact CG1-CD1 4.23Å; V646-F648 HydrophobicContact CG1-CD2 4.1Å; V646-F648 HydrophobicContact CG1-CE1 3.77Å; V646-F648 HydrophobicContact CG1-CE2 3.62Å; V646-F648 HydrophobicContact CG1-CG 4.39Å; V646-F648 HydrophobicContact CG1-CZ 3.44Å; V646-F648 VanDerWaalsContact CG1-CZ 3.44Å
647	L	97.6	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.3	173.7	177.2	62.1	0	0	0	110	L165 I501 L615 L616 E617 T618 M728 Q729 Y801	L165-L647 HydrophobicContact CD1-CD2 4.16Å; I501-L647 HydrophobicContact CB-CD1 4.17Å; I501-L647 HydrophobicContact CG2-CD1 3.64Å; L615-L647 HydrophobicContact CD1-CB 3.91Å; L616-L647 PolarHBondContact O-N 3.38Å; E617-L647 WeakPolarHBondContact CA-O 3.28Å; E617-L647 HydrophobicContact CB-CB 4.32Å; E617-L647 HydrophobicContact CG-CB 4.17Å; E617-L647 HydrophobicContact CG-CD2 3.85Å; E617-L647 HydrophobicContact CG-CG 4.03Å; T618-L647 PolarHBondContact N-O 3.34Å; L647-M728 HydrophobicContact CD2-CE 4.13Å; L647-Q729 HydrophobicContact CD1-CG 4.39Å; L647-Y801 HydrophobicContact CD1-CG 4.36Å; L647-Y801 HydrophobicContact CD2-CD1 3.91Å; L647-Y801 HydrophobicContact CD2-CG 4.01Å
648	F	96.5	Very high	90.9	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.3	173.8	-68.8	-63.1	0	0	0	111.5	I500 I501 Y505 T618 I623 V627 V646	I500-F648 HydrophobicContact CG2-CD2 4.02Å; I500-F648 HydrophobicContact CG2-CE2 3.84Å; I501-F648 PolarHBondContact O-N 2.79Å; Y505-F648 HydrophobicContact CD2-CB 4.12Å; Y505-F648 AromaticContact CD2-CD2 3.84Å; Y505-F648 HydrophobicContact CD2-CD2 3.84Å; Y505-F648 HydrophobicContact CD2-CG 4.31Å; Y505-F648 HydrophobicContact CE2-CB 3.81Å; Y505-F648 HydrophobicContact CE2-CD2 4.35Å; Y505-F648 HydrophobicContact CE2-CG 4.37Å; Y505-F648 HydrophobicContact CG-CD2 4.26Å; T618-F648 HydrophobicContact CG2-CD1 3.89Å; T618-F648 HydrophobicContact CG2-CE1 3.72Å; T618-F648 VanDerWaalsContact O-CA 3.3Å; T618-F648 WeakPolarHBondContact O-CA 3.34Å; I623-F648 HydrophobicContact CB-CE1 3.95Å; I623-F648 HydrophobicContact CB-CE2 4.41Å; I623-F648 HydrophobicContact CB-CZ 3.7Å; I623-F648 HydrophobicContact CD1-CE2 3.9Å; I623-F648 HydrophobicContact CD1-CZ 4.02Å; I623-F648 HydrophobicContact CG1-CE1 4.39Å; I623-F648 HydrophobicContact CG1-CE2 4.05Å; I623-F648 HydrophobicContact CG1-CZ 3.63Å; V627-F648 HydrophobicContact CB-CZ 4.24Å; V627-F648 HydrophobicContact CG1-CZ 4.22Å; V627-F648 HydrophobicContact CG2-CE1 3.71Å; V627-F648 HydrophobicContact CG2-CZ 3.85Å; V646-F648 HydrophobicContact CB-CE2 4.34Å; V646-F648 HydrophobicContact CB-CZ 4.5Å; V646-F648 HydrophobicContact CG1-CD1 4.23Å; V646-F648 HydrophobicContact CG1-CD2 4.1Å; V646-F648 HydrophobicContact CG1-CE1 3.77Å; V646-F648 HydrophobicContact CG1-CE2 3.62Å; V646-F648 HydrophobicContact CG1-CG 4.39Å; V646-F648 HydrophobicContact CG1-CZ 3.44Å; V646-F648 VanDerWaalsContact CG1-CZ 3.44Å
649	H	94.4	Very high	90.1	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.032	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	149.1	169.7	71.3	84.7	0	0	0	112	L157 T158 E617 T618 G619 S620 M728	L157-H649 WeakPolarHBondContact CD2-ND1 3.49Å; T158-H649 PolarHBondContact OG1-CE1 2.79Å; T158-H649 PolarHBondContact OG1-NE2 3.3Å; E617-H649 IonicContact OE1-CD2 2.69Å; E617-H649 PolarHBondContact OE1-CD2 3.4Å; E617-H649 IonicContact OE1-CG 3.31Å; E617-H649 IonicContact OE1-NE2 3.69Å; E617-H649 IonicContact OE2-CD2 3.44Å; T618-H649 PolarHBondContact O-CD2 3.23Å; T618-H649 PolarHBondContact O-N 2.94Å; G619-H649 WeakPolarHBondContact CA-NE2 3.35Å; G619-H649 PolarHBondContact N-CD2 3.49Å; G619-H649 PolarHBondContact N-NE2 3.06Å; G619-H649 VanDerWaalsContact N-NE2 3.15Å; S620-H649 PolarHBondContact N-O 3.03Å; H649-M728 HydrophobicContact CB-CB 4.09Å
650	S	89.9	Confident	89.5	Confident	11 Å²	11	36.5 Å²	36.5	8%	0.077	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-65.2	156.8	173.3	-110.5	0	0	0	0	112.3	L157 M728 G730 G731	L157-S650 WeakPolarHBondContact CD2-O 3.04Å; S650-M728 WeakPolarHBondContact CB-O 3.49Å; S650-M728 PolarHBondContact N-O 3.1Å; S650-G730 PolarHBondContact OG-O 3.2Å; S650-G731 WeakPolarHBondContact CB-O 3.26Å; S650-G731 PolarHBondContact OG-O 3.46Å; S650-G731 VanDerWaalsContact OG-O 3.11Å
651	L	90	Very high	88.6	Confident	34 Å²	34	32.8 Å²	32.8	18%	0.178	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-85	138.1	-179.3	-54.9	179.9	0	0	0	112	D621 K659 I733	D621-L651 HydrophobicContact CB-CD1 4.15Å; D621-L651 HydrophobicContact CB-CD2 4.34Å; D621-L651 VanDerWaalsContact OD1-CD2 3.3Å; D621-L651 WeakPolarHBondContact OD1-CD2 3.31Å; L651-K659 HydrophobicContact CD1-CD 4.16Å; L651-I733 PolarHBondContact O-N 3.35Å
652	V	88.4	Confident	87.7	Confident	6 Å²	6	34.7 Å²	34.7	4%	0.036	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	132.5	170.7	-173.4	0	0	0	0	110.1	L153 L157 M660 I733 L735	L153-V652 HydrophobicContact CB-CG1 4.33Å; L157-V652 HydrophobicContact CB-CG2 4.05Å; L157-V652 HydrophobicContact CD2-CG2 3.7Å; V652-M660 HydrophobicContact CG1-CE 3.95Å; V652-M660 HydrophobicContact CG1-SD 3.77Å; V652-M660 PolarHBondContact O-N 2.99Å; V652-I733 CarbonylContact C-O 3.56Å; V652-I733 WeakPolarHBondContact CA-O 3.41Å; V652-L735 HydrophobicContact CG1-CB 4.24Å
653	R	87.6	Confident	86.5	Confident	71 Å²	71	38.4 Å²	38.4	27%	0.268	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.2	180	-65.3	-174	176.7	-94.3	-5.8	110.9	G657 R658 P732 I733	R653-G657 WeakPolarHBondContact CD-O 3.42Å; R653-G657 PolarHBondContact NH1-O 3.01Å; R653-R658 CarbonylContact C-O 3.59Å; R653-R658 WeakPolarHBondContact CA-O 3.12Å; R653-R658 VanDerWaalsContact CB-O 3.24Å; R653-R658 WeakPolarHBondContact CB-O 3.32Å; R653-P732 HydrophobicContact CG-CB 4.14Å; R653-I733 PolarHBondContact N-O 2.66Å
654	D	81.4	Confident	85.5	Confident	12 Å²	12	39.4 Å²	39.4	6%	0.064	19%	0.191	C	C	.	.			trans	-66.8	172.6	169.8	71.5	13.1	0	0	0	111.4	Y656 G657 R658 N666 S734	D654-Y656 PolarHBondContact O-N 3.03Å; D654-Y656 VanDerWaalsContact O-N 3.07Å; D654-Y656 WeakPolarHBondContact OD1-CA 3.34Å; D654-Y656 WeakPolarHBondContact OD1-CB 3.35Å; D654-Y656 PolarHBondContact OD1-N 3.46Å; D654-G657 PolarHBondContact O-N 3.32Å; D654-G657 PolarHBondContact OD1-N 3.48Å; D654-R658 PolarHBondContact N-O 3.26Å; D654-R658 PolarHBondContact OD1-N 2.84Å; D654-R658 IonicContact OD1-NE 2.86Å; D654-R658 WeakPolarHBondContact OD2-CB 3.18Å; D654-R658 IonicContact OD2-CZ 2.78Å; D654-R658 VanDerWaalsContact OD2-CZ 3.32Å; D654-R658 IonicContact OD2-NE 2.74Å; D654-R658 PolarHBondContact OD2-NE 3.32Å; D654-R658 IonicContact OD2-NH2 3.89Å; D654-R658 PolarHBondContact OD2-NH2 2.76Å; D654-N666 HydrophobicContact CB-CB 4.49Å; D654-N666 PolarHBondContact OD2-ND2 3.29Å; D654-S734 PolarHBondContact O-OG 3.04Å
655	K	76.9	Confident	84.9	Confident	135 Å²	135	33.3 Å²	33.3	59%	0.587	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.6	178.6	-176.6	-176.4	167.4	-167.7	0	113.4	D706	K655-D706 WeakPolarHBondContact CD-OD1 3.29Å; K655-D706 IonicContact NZ-OD1 4Å; K655-D706 PolarHBondContact NZ-OD1 2.83Å
656	Y	79.4	Confident	84.3	Confident	47 Å²	47	31.7 Å²	31.7	18%	0.184	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.3	178.2	-49.6	-80	0	0	0	112.5	R56 I60 D654 R658 A702 D706	R56-Y656 VanDerWaalsContact CD-O 3.27Å; R56-Y656 WeakPolarHBondContact CD-O 3.46Å; R56-Y656 PolarHBondContact NE-O 2.85Å; I60-Y656 HydrophobicContact CD1-CD1 4.14Å; I60-Y656 HydrophobicContact CD1-CD2 3.75Å; I60-Y656 HydrophobicContact CD1-CE2 4.22Å; I60-Y656 HydrophobicContact CD1-CG 3.72Å; I60-Y656 HydrophobicContact CG1-CD1 3.52Å; I60-Y656 HydrophobicContact CG1-CD2 3.85Å; I60-Y656 HydrophobicContact CG1-CE1 3.63Å; I60-Y656 HydrophobicContact CG1-CE2 3.98Å; I60-Y656 HydrophobicContact CG1-CG 3.63Å; D654-Y656 PolarHBondContact O-N 3.03Å; D654-Y656 VanDerWaalsContact O-N 3.07Å; D654-Y656 WeakPolarHBondContact OD1-CA 3.34Å; D654-Y656 WeakPolarHBondContact OD1-CB 3.35Å; D654-Y656 PolarHBondContact OD1-N 3.46Å; Y656-R658 VanDerWaalsContact C-N 3.34Å; Y656-A702 HydrophobicContact CE2-CB 4.02Å; Y656-D706 WeakPolarHBondContact CE2-OD2 3.49Å; Y656-D706 PolarHBondContact OH-OD1 2.9Å; Y656-D706 PolarHBondContact OH-OD2 2.95Å
657	G	77.6	Confident	83.7	Confident	15 Å²	15	33.6 Å²	33.6	16%	0.155	17%	0.17	C	C	.	.	S	Bend	trans	75.7	17	179.5	0	0	0	0	0	114.1	R56 R653 D654	R56-G657 PolarHBondContact NH1-O 2.93Å; R653-G657 WeakPolarHBondContact CD-O 3.42Å; R653-G657 PolarHBondContact NH1-O 3.01Å; D654-G657 PolarHBondContact O-N 3.32Å; D654-G657 PolarHBondContact OD1-N 3.48Å
658	R	78.6	Confident	83.3	Confident	13 Å²	13	34.2 Å²	34.2	5%	0.049	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-83.5	147.7	171.1	-54.9	-179.9	-63.2	171.9	1.4	109.5	R653 D654 Y656 M660 L664	R653-R658 CarbonylContact C-O 3.59Å; R653-R658 WeakPolarHBondContact CA-O 3.12Å; R653-R658 VanDerWaalsContact CB-O 3.24Å; R653-R658 WeakPolarHBondContact CB-O 3.32Å; D654-R658 PolarHBondContact N-O 3.26Å; D654-R658 PolarHBondContact OD1-N 2.84Å; D654-R658 IonicContact OD1-NE 2.86Å; D654-R658 WeakPolarHBondContact OD2-CB 3.18Å; D654-R658 IonicContact OD2-CZ 2.78Å; D654-R658 VanDerWaalsContact OD2-CZ 3.32Å; D654-R658 IonicContact OD2-NE 2.74Å; D654-R658 PolarHBondContact OD2-NE 3.32Å; D654-R658 IonicContact OD2-NH2 3.89Å; D654-R658 PolarHBondContact OD2-NH2 2.76Å; Y656-R658 VanDerWaalsContact C-N 3.34Å; R658-M660 PolarHBondContact O-N 2.69Å; R658-L664 HydrophobicContact CB-CD1 4.4Å
659	K	80	Confident	83.1	Confident	84 Å²	84	34.8 Å²	34.8	37%	0.365	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-58.2	136	173.2	-178.1	177.8	-179.7	173	0	107.8	D621 L651 S661 N666	D621-K659 IonicContact OD2-NZ 3.2Å; D621-K659 PolarHBondContact OD2-NZ 2.83Å; L651-K659 HydrophobicContact CD1-CD 4.16Å; K659-S661 PolarHBondContact O-N 2.98Å; K659-N666 PolarHBondContact O-ND2 3.26Å; K659-N666 PolarHBondContact O-OD1 2.98Å
660	M	82.8	Confident	83.1	Confident	9 Å²	9	34.4 Å²	34.4	4%	0.044	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-71	116.8	168.7	-73.5	-171.9	-179.1	0	0	108.7	L153 V652 R658 N666 V667 I668	L153-M660 HydrophobicContact CB-SD 4.03Å; L153-M660 HydrophobicContact CD1-CE 4.02Å; L153-M660 HydrophobicContact CD1-SD 4.17Å; V652-M660 HydrophobicContact CG1-CE 3.95Å; V652-M660 HydrophobicContact CG1-SD 3.77Å; V652-M660 PolarHBondContact O-N 2.99Å; R658-M660 PolarHBondContact O-N 2.69Å; M660-N666 WeakPolarHBondContact CA-OD1 3.3Å; M660-V667 HydrophobicContact CB-CG1 4.47Å; M660-I668 HydrophobicContact CE-CD1 4.44Å
661	S	77.6	Confident	83.3	Confident	24 Å²	24	35.3 Å²	35.3	17%	0.168	18%	0.179	C	C	.	.			trans	-147.8	147.6	177.8	70.9	0	0	0	0	112	K659 S663 L664 G665 N666	K659-S661 PolarHBondContact O-N 2.98Å; S661-S663 PolarHBondContact O-N 2.94Å; S661-S663 PolarHBondContact OG-OG 3.47Å; S661-L664 PolarHBondContact O-N 3.41Å; S661-L664 VanDerWaalsContact O-N 3.07Å; S661-L664 WeakPolarHBondContact OG-CG 3.38Å; S661-G665 PolarHBondContact O-N 3.2Å; S661-N666 PolarHBondContact N-OD1 3.39Å; S661-N666 PolarHBondContact O-OD1 3.24Å
662	K	77.9	Confident	83.4	Confident	74 Å²	74	34.5 Å²	34.5	32%	0.322	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-59.1	-29.5	178.9	-65.6	179.4	-178.3	176.1	0	112.1	T148 T150 L664 V667 L691	T148-K662 PolarHBondContact O-NZ 3.48Å; T148-K662 PolarHBondContact OG1-NZ 3.31Å; T150-K662 WeakPolarHBondContact O-CE 3.39Å; T150-K662 PolarHBondContact O-NZ 3.12Å; K662-L664 VanDerWaalsContact C-N 3.33Å; K662-L664 PolarHBondContact O-N 3.32Å; K662-V667 HydrophobicContact CG-CG1 4.38Å; K662-L691 VanDerWaalsContact O-CD2 3.22Å; K662-L691 WeakPolarHBondContact O-CD2 3.42Å
663	S	72.9	Confident	83.7	Confident	77 Å²	77	34.2 Å²	34.2	54%	0.538	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-71.1	-21	177.8	52.4	0	0	0	0	114.7	S661 L691	S661-S663 PolarHBondContact O-N 2.94Å; S661-S663 PolarHBondContact OG-OG 3.47Å; S663-L691 VanDerWaalsContact O-CD2 3.28Å; S663-L691 WeakPolarHBondContact O-CD2 3.28Å
664	L	76.8	Confident	84	Confident	22 Å²	22	30.9 Å²	30.9	12%	0.115	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-101	-6.1	179.1	-65.6	177.6	0	0	0	113	R658 S661 K662 N666	R658-L664 HydrophobicContact CB-CD1 4.4Å; S661-L664 PolarHBondContact O-N 3.41Å; S661-L664 VanDerWaalsContact O-N 3.07Å; S661-L664 WeakPolarHBondContact OG-CG 3.38Å; K662-L664 VanDerWaalsContact C-N 3.33Å; K662-L664 PolarHBondContact O-N 3.32Å; L664-N666 PolarHBondContact O-N 3.44Å
665	G	80.1	Confident	84.6	Confident	5 Å²	5	34.2 Å²	34.2	5%	0.052	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	10.4	-179.7	0	0	0	0	0	114.1	S661 L691	S661-G665 PolarHBondContact O-N 3.2Å; G665-L691 VanDerWaalsContact N-CD2 3.26Å
666	N	85.3	Confident	85.3	Confident	18 Å²	18	29 Å²	29	10%	0.096	16%	0.16	C	C	.	.			trans	-98.9	14.1	-177.2	71.2	-16.2	0	0	0	112.9	D654 K659 M660 S661 L664	D654-N666 HydrophobicContact CB-CB 4.49Å; D654-N666 PolarHBondContact OD2-ND2 3.29Å; K659-N666 PolarHBondContact O-ND2 3.26Å; K659-N666 PolarHBondContact O-OD1 2.98Å; M660-N666 WeakPolarHBondContact CA-OD1 3.3Å; S661-N666 PolarHBondContact N-OD1 3.39Å; S661-N666 PolarHBondContact O-OD1 3.24Å; L664-N666 PolarHBondContact O-N 3.44Å
667	V	85.6	Confident	85.9	Confident	40 Å²	40	27.4 Å²	27.4	24%	0.242	16%	0.157	C	C	.	.			trans	-75.8	142.8	174.1	-68.9	0	0	0	0	110.5	H152 M660 K662	H152-V667 HydrophobicContact CB-CB 3.95Å; H152-V667 HydrophobicContact CB-CG1 4.04Å; M660-V667 HydrophobicContact CB-CG1 4.47Å; K662-V667 HydrophobicContact CG-CG1 4.38Å
668	I	88.6	Confident	86.7	Confident	14 Å²	14	29.7 Å²	29.7	7%	0.072	17%	0.17	C	C	.	.			trans	-116.9	126.7	171.3	-61.2	171.7	0	0	0	106.7	H152 L153 M660 V673 Y707 I711	H152-I668 CarbonylContact C-O 3.54Å; H152-I668 VanDerWaalsContact CA-O 3.24Å; H152-I668 WeakPolarHBondContact CA-O 3.37Å; L153-I668 HydrophobicContact CD1-CB 3.82Å; L153-I668 HydrophobicContact CD1-CD1 4.18Å; L153-I668 HydrophobicContact CD1-CG2 4.12Å; L153-I668 HydrophobicContact CG-CB 4.06Å; L153-I668 HydrophobicContact CG-CG2 4.32Å; L153-I668 PolarHBondContact N-O 2.85Å; L153-I668 VanDerWaalsContact N-O 3.1Å; M660-I668 HydrophobicContact CE-CD1 4.44Å; I668-V673 HydrophobicContact CG2-CG2 3.72Å; I668-Y707 HydrophobicContact CD1-CE2 3.95Å; I668-Y707 WeakPolarHBondContact CD1-OH 3.14Å; I668-I711 HydrophobicContact CG2-CD1 4.01Å
669	D	92.1	Very high	87.3	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.064	18%	0.177	C	C	.	.			trans	-67.4	129.9	173.2	-169.9	-34.3	0	0	0	108.8	Q231 L671 D672 K685	Q231-D669 PolarHBondContact NE2-OD1 3.45Å; D669-L671 PolarHBondContact O-N 3.32Å; D669-L671 WeakPolarHBondContact OD1-CB 3.18Å; D669-L671 PolarHBondContact OD1-N 2.94Å; D669-D672 HydrophobicContact CB-CB 4.28Å; D669-D672 WeakPolarHBondContact CB-OD2 3.16Å; D669-D672 WeakPolarHBondContact O-CB 3.06Å; D669-D672 PolarHBondContact O-N 2.83Å; D669-K685 IonicContact OD2-NZ 2.83Å; D669-K685 PolarHBondContact OD2-NZ 3.28Å
670	P	94.4	Very high	87.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.1	-34.6	176.3	21.4	-32.4	0	0	0	113	L151 A156 L235 D672 V673 M674 L719	L151-P670 HydrophobicContact CB-CG 4.33Å; L151-P670 WeakPolarHBondContact O-CD 3.02Å; A156-P670 HydrophobicContact CB-CB 4.08Å; L235-P670 HydrophobicContact CD1-CG 4.45Å; L235-P670 HydrophobicContact CD2-CB 4Å; L235-P670 HydrophobicContact CG-CB 4.5Å; P670-D672 VanDerWaalsContact C-N 3.27Å; P670-D672 PolarHBondContact O-N 2.99Å; P670-V673 PolarHBondContact O-N 3.28Å; P670-V673 VanDerWaalsContact O-N 3.13Å; P670-M674 HydrophobicContact CB-SD 4.32Å; P670-M674 VanDerWaalsContact O-CG 3.3Å; P670-M674 WeakPolarHBondContact O-CG 3.45Å; P670-M674 PolarHBondContact O-N 3.31Å; P670-L719 HydrophobicContact CB-CD2 4.04Å
671	L	94.2	Very high	88.1	Confident	30 Å²	30	37.4 Å²	37.4	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-31.6	179	-62.2	-173.9	0	0	0	112.4	Q231 D669 V673 M674 H675	Q231-L671 HydrophobicContact CG-CD1 3.75Å; Q231-L671 HydrophobicContact CG-CG 3.98Å; D669-L671 PolarHBondContact O-N 3.32Å; D669-L671 WeakPolarHBondContact OD1-CB 3.18Å; D669-L671 PolarHBondContact OD1-N 2.94Å; L671-V673 VanDerWaalsContact C-N 3.26Å; L671-V673 PolarHBondContact O-N 3.35Å; L671-M674 HydrophobicContact CD2-CE 3.66Å; L671-M674 HydrophobicContact CD2-SD 3.82Å; L671-M674 PolarHBondContact O-N 3.35Å; L671-H675 PolarHBondContact O-CD2 3.38Å; L671-H675 PolarHBondContact O-N 3.03Å
672	D	93.8	Very high	88.7	Confident	16 Å²	16	36.6 Å²	36.6	9%	0.086	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-29.6	177.5	-67.4	-21.2	0	0	0	111.3	D669 P670 G676 A677 L682 K685 I711	D669-D672 HydrophobicContact CB-CB 4.28Å; D669-D672 WeakPolarHBondContact CB-OD2 3.16Å; D669-D672 WeakPolarHBondContact O-CB 3.06Å; D669-D672 PolarHBondContact O-N 2.83Å; P670-D672 VanDerWaalsContact C-N 3.27Å; P670-D672 PolarHBondContact O-N 2.99Å; D672-G676 CarbonylContact O-C 3.51Å; D672-G676 WeakPolarHBondContact O-CA 3.24Å; D672-G676 PolarHBondContact O-N 3.12Å; D672-G676 VanDerWaalsContact O-N 3.07Å; D672-A677 HydrophobicContact CB-CB 3.71Å; D672-A677 PolarHBondContact O-N 3.22Å; D672-L682 HydrophobicContact CB-CD2 4.25Å; D672-K685 IonicContact OD1-NZ 3.89Å; D672-K685 PolarHBondContact OD1-NZ 3.35Å; D672-K685 IonicContact OD2-NZ 3.99Å; D672-K685 PolarHBondContact OD2-NZ 2.91Å; D672-I711 WeakPolarHBondContact O-CG2 3.18Å
673	V	94.1	Very high	89.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-80.4	-39.5	174.1	-177.3	0	0	0	0	111.2	L153 I668 P670 L671 I711 C714 L719 V740	L153-V673 HydrophobicContact CD2-CG2 4.21Å; I668-V673 HydrophobicContact CG2-CG2 3.72Å; P670-V673 PolarHBondContact O-N 3.28Å; P670-V673 VanDerWaalsContact O-N 3.13Å; L671-V673 VanDerWaalsContact C-N 3.26Å; L671-V673 PolarHBondContact O-N 3.35Å; V673-I711 HydrophobicContact CG2-CG2 4.34Å; V673-C714 HydrophobicContact CG1-CB 4.2Å; V673-C714 WeakPolarHBondContact O-CB 3.17Å; V673-C714 PolarHBondContact O-N 3.25Å; V673-L719 HydrophobicContact CB-CD2 4.45Å; V673-L719 HydrophobicContact CG1-CD1 4.22Å; V673-V740 HydrophobicContact CG1-CB 4.36Å; V673-V740 HydrophobicContact CG1-CG1 3.88Å; V673-V740 HydrophobicContact CG1-CG2 4.36Å
674	M	94.3	Very high	90	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-52.8	-179.5	-68.3	155.3	58.6	0	0	111.6	G234 L235 P670 L671 Q713 C714 G715 T716 L719	G234-M674 VanDerWaalsContact O-CE 3.24Å; G234-M674 WeakPolarHBondContact O-CE 3.3Å; L235-M674 HydrophobicContact CD2-SD 3.98Å; L235-M674 HydrophobicContact CG-SD 4.46Å; P670-M674 HydrophobicContact CB-SD 4.32Å; P670-M674 VanDerWaalsContact O-CG 3.3Å; P670-M674 WeakPolarHBondContact O-CG 3.45Å; P670-M674 PolarHBondContact O-N 3.31Å; L671-M674 HydrophobicContact CD2-CE 3.66Å; L671-M674 HydrophobicContact CD2-SD 3.82Å; L671-M674 PolarHBondContact O-N 3.35Å; M674-Q713 VanDerWaalsContact O-CG 3.22Å; M674-Q713 WeakPolarHBondContact O-CG 3.43Å; M674-C714 PolarHBondContact O-N 3.06Å; M674-G715 PolarHBondContact O-N 3.49Å; M674-T716 HydrophobicContact CE-CG2 4.45Å; M674-T716 WeakPolarHBondContact CE-OG1 3.28Å; M674-L719 HydrophobicContact CG-CD2 4.1Å; M674-L719 HydrophobicContact SD-CD2 4.43Å
675	H	93	Very high	90.4	Very high	82 Å²	82	36 Å²	36	38%	0.38	19%	0.187	S	C	.	.	H	α-helix	trans	-96.5	-13.5	-174.2	-57.3	-60.3	0	0	0	113.8	D106 L671 Q713	D106-H675 IonicContact OD1-ND1 2.85Å; L671-H675 PolarHBondContact O-CD2 3.38Å; L671-H675 PolarHBondContact O-N 3.03Å; H675-Q713 WeakPolarHBondContact O-CB 3.19Å
676	G	92.1	Very high	90.6	Very high	26 Å²	26	36.2 Å²	36.2	27%	0.268	19%	0.187	S	C	.	.			trans	84.4	152.2	-172	0	0	0	0	0	112	D672 I711	D672-G676 CarbonylContact O-C 3.51Å; D672-G676 WeakPolarHBondContact O-CA 3.24Å; D672-G676 PolarHBondContact O-N 3.12Å; D672-G676 VanDerWaalsContact O-N 3.07Å; G676-I711 CarbonylContact C-O 3.48Å; G676-I711 WeakPolarHBondContact CA-O 3.19Å
677	A	93.1	Very high	90.4	Very high	13 Å²	13	41.2 Å²	41.2	11%	0.107	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-146	137.6	179.8	0	0	0	0	0	111	D672 L682 G710 I711	D672-A677 HydrophobicContact CB-CB 3.71Å; D672-A677 PolarHBondContact O-N 3.22Å; A677-L682 HydrophobicContact CB-CD2 3.9Å; A677-L682 HydrophobicContact CB-CG 4.06Å; A677-G710 CarbonylContact O-C 3.54Å; A677-G710 WeakPolarHBondContact O-CA 3.5Å; A677-I711 PolarHBondContact N-O 2.82Å; A677-I711 PolarHBondContact O-N 3.1Å
678	S	92.7	Very high	89.9	Confident	63 Å²	63	44.6 Å²	44.6	44%	0.441	22%	0.221	S	C	.	.			trans	-71.4	154.5	172.6	68.6	0	0	0	0	110.8	Q680 R681 L682	S678-Q680 PolarHBondContact O-N 3.36Å; S678-R681 PolarHBondContact O-N 3.06Å; S678-R681 VanDerWaalsContact O-N 3.1Å; S678-R681 WeakPolarHBondContact OG-CB 3.31Å; S678-R681 PolarHBondContact OG-N 3.36Å; S678-R681 VanDerWaalsContact OG-N 3.1Å; S678-L682 WeakPolarHBondContact O-CG 3.45Å; S678-L682 PolarHBondContact O-N 3.39Å
679	L	91.3	Very high	89	Confident	38 Å²	38	45.5 Å²	45.5	20%	0.199	23%	0.234	C	C	.	.	H	α-helix	trans	-55.5	-39.8	172.7	176.9	60.3	0	0	0	111.3	R681 L682 Q683 Q703	L679-R681 PolarHBondContact O-N 2.81Å; L679-L682 PolarHBondContact O-N 3.42Å; L679-Q683 HydrophobicContact CD1-CG 4.03Å; L679-Q683 HydrophobicContact CG-CG 4.35Å; L679-Q683 WeakPolarHBondContact O-CB 3.44Å; L679-Q683 VanDerWaalsContact O-CG 3.3Å; L679-Q683 WeakPolarHBondContact O-CG 3.44Å; L679-Q683 PolarHBondContact O-N 2.98Å; L679-Q703 HydrophobicContact CD1-CB 4.11Å
680	Q	91.4	Very high	87.7	Confident	130 Å²	130	47.6 Å²	47.6	61%	0.607	25%	0.245	S	C	*	.	H	α-helix	trans	-57.6	-48	176.1	-177.6	-177.5	-8.9	0	0	111.5	S678 L682 Q683 E684	S678-Q680 PolarHBondContact O-N 3.36Å; Q680-L682 VanDerWaalsContact C-N 3.34Å; Q680-L682 PolarHBondContact O-N 2.95Å; Q680-Q683 PolarHBondContact O-N 2.69Å; Q680-E684 HydrophobicContact CG-CG 4.46Å; Q680-E684 WeakPolarHBondContact CG-OE1 3.47Å; Q680-E684 PolarHBondContact NE2-OE1 3.32Å; Q680-E684 WeakPolarHBondContact O-CG 3.48Å; Q680-E684 PolarHBondContact O-N 3.49Å
681	R	89.8	Confident	86.5	Confident	100 Å²	100	48.8 Å²	48.8	38%	0.377	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-40.4	179.5	-177.6	58.9	179.9	149	3.6	112	S678 L679 Q683 E684 K685 E688	S678-R681 PolarHBondContact O-N 3.06Å; S678-R681 VanDerWaalsContact O-N 3.1Å; S678-R681 WeakPolarHBondContact OG-CB 3.31Å; S678-R681 PolarHBondContact OG-N 3.36Å; S678-R681 VanDerWaalsContact OG-N 3.1Å; L679-R681 PolarHBondContact O-N 2.81Å; R681-Q683 VanDerWaalsContact C-N 3.34Å; R681-E684 IonicContact NH1-OE2 3.52Å; R681-E684 PolarHBondContact O-N 3.34Å; R681-K685 PolarHBondContact O-N 2.84Å; R681-K685 VanDerWaalsContact O-N 3.11Å; R681-E688 IonicContact NH1-OE1 3.84Å
682	L	89.3	Confident	85.3	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-41.4	176.3	-65.8	173	0	0	0	111.8	D672 A677 S678 L679 Q680 V686 Q703 Y707 I711	D672-L682 HydrophobicContact CB-CD2 4.25Å; A677-L682 HydrophobicContact CB-CD2 3.9Å; A677-L682 HydrophobicContact CB-CG 4.06Å; S678-L682 WeakPolarHBondContact O-CG 3.45Å; S678-L682 PolarHBondContact O-N 3.39Å; L679-L682 PolarHBondContact O-N 3.42Å; Q680-L682 VanDerWaalsContact C-N 3.34Å; Q680-L682 PolarHBondContact O-N 2.95Å; L682-V686 WeakPolarHBondContact O-CG2 3.05Å; L682-V686 PolarHBondContact O-N 2.77Å; L682-Q703 VanDerWaalsContact C-OE1 3.32Å; L682-Q703 PolarHBondContact O-NE2 2.67Å; L682-Q703 PolarHBondContact O-OE1 2.77Å; L682-Y707 HydrophobicContact CD1-CD2 4.3Å; L682-Y707 HydrophobicContact CD1-CG 4.4Å; L682-I711 HydrophobicContact CD1-CD1 3.9Å; L682-I711 HydrophobicContact CD1-CG1 3.96Å; L682-I711 HydrophobicContact CD2-CD1 4.07Å
683	Q	90	Very high	84.3	Confident	43 Å²	43	55.5 Å²	55.5	20%	0.201	29%	0.292	C	S	.	.	H	α-helix	trans	-72.1	-35	178.2	-70.9	-177.8	-10.8	0	0	112.6	L679 Q680 R681 V686 K687 L700 S704	L679-Q683 HydrophobicContact CD1-CG 4.03Å; L679-Q683 HydrophobicContact CG-CG 4.35Å; L679-Q683 WeakPolarHBondContact O-CB 3.44Å; L679-Q683 VanDerWaalsContact O-CG 3.3Å; L679-Q683 WeakPolarHBondContact O-CG 3.44Å; L679-Q683 PolarHBondContact O-N 2.98Å; Q680-Q683 PolarHBondContact O-N 2.69Å; R681-Q683 VanDerWaalsContact C-N 3.34Å; Q683-V686 PolarHBondContact O-N 3.03Å; Q683-K687 VanDerWaalsContact O-CG 3.3Å; Q683-K687 WeakPolarHBondContact O-CG 3.43Å; Q683-K687 PolarHBondContact O-N 2.71Å; Q683-L700 HydrophobicContact CB-CD2 3.65Å; Q683-L700 HydrophobicContact CG-CD2 3.65Å; Q683-S704 PolarHBondContact NE2-OG 2.62Å
684	E	88.3	Confident	83.4	Confident	65 Å²	65	60.6 Å²	60.6	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-48	172.7	-76.8	166.6	-176	0	0	110.8	Q680 R681 V686 K687 E688	Q680-E684 HydrophobicContact CG-CG 4.46Å; Q680-E684 WeakPolarHBondContact CG-OE1 3.47Å; Q680-E684 PolarHBondContact NE2-OE1 3.32Å; Q680-E684 WeakPolarHBondContact O-CG 3.48Å; Q680-E684 PolarHBondContact O-N 3.49Å; R681-E684 IonicContact NH1-OE2 3.52Å; R681-E684 PolarHBondContact O-N 3.34Å; E684-V686 VanDerWaalsContact C-N 3.27Å; E684-V686 PolarHBondContact O-N 2.9Å; E684-K687 CarbonylContact O-C 3.44Å; E684-K687 WeakPolarHBondContact O-CA 3.42Å; E684-K687 WeakPolarHBondContact O-CB 3.22Å; E684-K687 PolarHBondContact O-N 3.24Å; E684-E688 WeakPolarHBondContact O-CG 3.27Å; E684-E688 PolarHBondContact O-N 3.19Å
685	K	84.7	Confident	82.7	Confident	53 Å²	53	61.5 Å²	61.5	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-38.3	175.6	-73.5	-173.1	179.2	-178.9	0	112.7	D669 D672 R681 G689	D669-K685 IonicContact OD2-NZ 2.83Å; D669-K685 PolarHBondContact OD2-NZ 3.28Å; D672-K685 IonicContact OD1-NZ 3.89Å; D672-K685 PolarHBondContact OD1-NZ 3.35Å; D672-K685 IonicContact OD2-NZ 3.99Å; D672-K685 PolarHBondContact OD2-NZ 2.91Å; R681-K685 PolarHBondContact O-N 2.84Å; R681-K685 VanDerWaalsContact O-N 3.11Å; K685-G689 PolarHBondContact O-N 2.85Å; K685-G689 VanDerWaalsContact O-N 3.12Å
686	V	85.1	Confident	82.3	Confident	8 Å²	8	60.1 Å²	60.1	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-39.2	175.1	170	0	0	0	0	111.3	L682 Q683 E684 G689 L691 Q696 A699 L700	L682-V686 WeakPolarHBondContact O-CG2 3.05Å; L682-V686 PolarHBondContact O-N 2.77Å; Q683-V686 PolarHBondContact O-N 3.03Å; E684-V686 VanDerWaalsContact C-N 3.27Å; E684-V686 PolarHBondContact O-N 2.9Å; V686-G689 PolarHBondContact O-N 2.93Å; V686-L691 HydrophobicContact CG1-CD1 3.77Å; V686-Q696 HydrophobicContact CG1-CG 3.99Å; V686-A699 HydrophobicContact CG1-CB 3.97Å; V686-L700 HydrophobicContact CB-CD2 4.13Å; V686-L700 HydrophobicContact CG1-CD2 3.93Å; V686-L700 HydrophobicContact CG1-CG 4.07Å
687	K	81.7	Confident	82	Confident	123 Å²	123	64.5 Å²	64.5	54%	0.535	33%	0.329	S	S	.	.	H	α-helix	trans	-72.5	-32.4	177.7	-68.6	169.5	-176.7	178.3	0	113.3	Q683 E684 G689	Q683-K687 VanDerWaalsContact O-CG 3.3Å; Q683-K687 WeakPolarHBondContact O-CG 3.43Å; Q683-K687 PolarHBondContact O-N 2.71Å; E684-K687 CarbonylContact O-C 3.44Å; E684-K687 WeakPolarHBondContact O-CA 3.42Å; E684-K687 WeakPolarHBondContact O-CB 3.22Å; E684-K687 PolarHBondContact O-N 3.24Å; K687-G689 VanDerWaalsContact C-N 3.26Å
688	E	74.3	Confident	81.6	Confident	112 Å²	112	63.9 Å²	63.9	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-70.4	-25.8	173.2	-71.5	170.5	-167.1	0	0	112	R199 R681 E684	R199-E688 PolarHBondContact NH1-O 3.31Å; R681-E688 IonicContact NH1-OE1 3.84Å; E684-E688 WeakPolarHBondContact O-CG 3.27Å; E684-E688 PolarHBondContact O-N 3.19Å
689	G	68.9	Low	81.3	Confident	32 Å²	32	61 Å²	61	33%	0.33	30%	0.304	S	S	.	.	S	Bend	trans	-68.6	150.6	-179.7	0	0	0	0	0	113.9	K685 V686 K687 L691	K685-G689 PolarHBondContact O-N 2.85Å; K685-G689 VanDerWaalsContact O-N 3.12Å; V686-G689 PolarHBondContact O-N 2.93Å; K687-G689 VanDerWaalsContact C-N 3.26Å; G689-L691 VanDerWaalsContact C-N 3.25Å; G689-L691 PolarHBondContact O-N 3.11Å
690	N	64.4	Low	81.2	Confident	57 Å²	57	60.6 Å²	60.6	31%	0.305	30%	0.302	S	S	.	.			trans	-85.1	60.8	179.5	-66.9	-22.9	0	0	0	111.6	R199	R199-N690 PolarHBondContact NH1-OD1 3.2Å
691	L	69.8	Low	81	Confident	25 Å²	25	58.3 Å²	58.3	13%	0.131	29%	0.29	C	S	.	.			trans	-94.8	152.3	-176.4	-72.3	161.9	0	0	0	112.8	K662 S663 G665 V686 G689 Q696	K662-L691 VanDerWaalsContact O-CD2 3.22Å; K662-L691 WeakPolarHBondContact O-CD2 3.42Å; S663-L691 VanDerWaalsContact O-CD2 3.28Å; S663-L691 WeakPolarHBondContact O-CD2 3.28Å; G665-L691 VanDerWaalsContact N-CD2 3.26Å; V686-L691 HydrophobicContact CG1-CD1 3.77Å; G689-L691 VanDerWaalsContact C-N 3.25Å; G689-L691 PolarHBondContact O-N 3.11Å; L691-Q696 HydrophobicContact CB-CB 4.25Å
692	D	68.9	Low	80.8	Confident	95 Å²	95	53.9 Å²	53.9	51%	0.508	28%	0.275	S	S	.	.			trans	-62.4	139.1	165.5	179.2	-87.5	0	0	0	109.9	K694 E695 Q696	D692-K694 PolarHBondContact O-N 2.95Å; D692-K694 VanDerWaalsContact O-N 3.14Å; D692-K694 WeakPolarHBondContact OD1-CA 3.5Å; D692-K694 WeakPolarHBondContact OD1-CB 3.43Å; D692-K694 PolarHBondContact OD1-N 2.91Å; D692-E695 HydrophobicContact CB-CB 4.32Å; D692-E695 HydrophobicContact CB-CG 4.32Å; D692-E695 PolarHBondContact O-N 3.22Å; D692-Q696 WeakPolarHBondContact O-CB 3.32Å; D692-Q696 PolarHBondContact O-N 2.93Å
693	P	72.7	Confident	80.7	Confident	92 Å²	92	54.5 Å²	54.5	60%	0.597	28%	0.277	S	S	*	.	H	α-helix	trans	-54.9	-34.2	-177.7	-28.1	35.4	0	0	0	114.5	L697	P693-L697 WeakPolarHBondContact O-CG 3.35Å; P693-L697 PolarHBondContact O-N 2.7Å
694	K	75	Confident	80.6	Confident	108 Å²	108	54.4 Å²	54.4	47%	0.47	28%	0.281	S	S	.	.	H	α-helix	trans	-68.8	-47.6	176.4	-172.6	-164.4	174.1	-149.8	0	110.6	E57 D692 Q696 L697 V698	E57-K694 IonicContact OE2-NZ 3.3Å; E57-K694 PolarHBondContact OE2-NZ 3.39Å; D692-K694 PolarHBondContact O-N 2.95Å; D692-K694 VanDerWaalsContact O-N 3.14Å; D692-K694 WeakPolarHBondContact OD1-CA 3.5Å; D692-K694 WeakPolarHBondContact OD1-CB 3.43Å; D692-K694 PolarHBondContact OD1-N 2.91Å; K694-Q696 VanDerWaalsContact C-N 3.28Å; K694-Q696 PolarHBondContact O-N 3.32Å; K694-L697 PolarHBondContact O-N 3.03Å; K694-V698 WeakPolarHBondContact O-CG2 3.48Å; K694-V698 PolarHBondContact O-N 3.49Å; K694-V698 VanDerWaalsContact O-N 3.09Å
695	E	80.7	Confident	80.5	Confident	20 Å²	20	53.9 Å²	53.9	9%	0.093	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-34.7	178.9	-70	-65.9	169.9	0	0	111.6	R53 D692 L697 V698 A699	R53-E695 IonicContact NH2-OE1 3.59Å; D692-E695 HydrophobicContact CB-CB 4.32Å; D692-E695 HydrophobicContact CB-CG 4.32Å; D692-E695 PolarHBondContact O-N 3.22Å; E695-L697 PolarHBondContact O-N 3.03Å; E695-V698 PolarHBondContact O-N 2.98Å; E695-A699 WeakPolarHBondContact O-CB 3.21Å; E695-A699 PolarHBondContact O-N 3.22Å
696	Q	84.2	Confident	80.4	Confident	52 Å²	52	53 Å²	53	24%	0.243	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-45.9	173.4	-168.9	-176.9	-3.3	0	0	111.3	V686 L691 D692 K694 A699 L700	V686-Q696 HydrophobicContact CG1-CG 3.99Å; L691-Q696 HydrophobicContact CB-CB 4.25Å; D692-Q696 WeakPolarHBondContact O-CB 3.32Å; D692-Q696 PolarHBondContact O-N 2.93Å; K694-Q696 VanDerWaalsContact C-N 3.28Å; K694-Q696 PolarHBondContact O-N 3.32Å; Q696-A699 PolarHBondContact O-N 3.46Å; Q696-L700 HydrophobicContact CG-CD1 4.24Å; Q696-L700 WeakPolarHBondContact O-CB 3.47Å; Q696-L700 VanDerWaalsContact O-CG 3.24Å; Q696-L700 WeakPolarHBondContact O-CG 3.44Å; Q696-L700 PolarHBondContact O-N 2.9Å
697	L	85.6	Confident	80.5	Confident	118 Å²	118	54.4 Å²	54.4	62%	0.618	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-43.1	175.9	-71.2	171.1	0	0	0	112.2	P693 K694 E695 A699 L700 K701	P693-L697 WeakPolarHBondContact O-CG 3.35Å; P693-L697 PolarHBondContact O-N 2.7Å; K694-L697 PolarHBondContact O-N 3.03Å; E695-L697 PolarHBondContact O-N 3.03Å; L697-A699 VanDerWaalsContact C-N 3.35Å; L697-L700 PolarHBondContact O-N 2.98Å; L697-K701 WeakPolarHBondContact O-CB 3.28Å; L697-K701 PolarHBondContact O-N 3.15Å
698	V	85.1	Confident	80.8	Confident	1 Å²	1	52 Å²	52	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-46.1	176.1	175.2	0	0	0	0	110.6	I60 L61 K694 E695 K701 A702	I60-V698 HydrophobicContact CD1-CG1 4.2Å; I60-V698 HydrophobicContact CG2-CG1 4Å; L61-V698 HydrophobicContact CD1-CG2 4.11Å; L61-V698 HydrophobicContact CD2-CG2 3.94Å; L61-V698 HydrophobicContact CG-CG2 4.13Å; K694-V698 WeakPolarHBondContact O-CG2 3.48Å; K694-V698 PolarHBondContact O-N 3.49Å; K694-V698 VanDerWaalsContact O-N 3.09Å; E695-V698 PolarHBondContact O-N 2.98Å; V698-K701 PolarHBondContact O-N 2.91Å; V698-A702 WeakPolarHBondContact O-CB 3.41Å; V698-A702 PolarHBondContact O-N 3.37Å
699	A	86.1	Confident	81.3	Confident	2 Å²	2	54.1 Å²	54.1	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-46.2	179.7	0	0	0	0	0	112.5	V686 E695 Q696 L697 K701 A702 Q703	V686-A699 HydrophobicContact CG1-CB 3.97Å; E695-A699 WeakPolarHBondContact O-CB 3.21Å; E695-A699 PolarHBondContact O-N 3.22Å; Q696-A699 PolarHBondContact O-N 3.46Å; L697-A699 VanDerWaalsContact C-N 3.35Å; A699-K701 VanDerWaalsContact C-N 3.34Å; A699-K701 PolarHBondContact O-N 2.89Å; A699-A702 PolarHBondContact O-N 3.35Å; A699-Q703 WeakPolarHBondContact O-CG 3.38Å; A699-Q703 PolarHBondContact O-N 2.99Å
700	L	89	Confident	82.3	Confident	29 Å²	29	53.1 Å²	53.1	15%	0.152	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-40.6	178.1	-69.4	173.5	0	0	0	111.9	Q683 V686 Q696 L697 S704	Q683-L700 HydrophobicContact CB-CD2 3.65Å; Q683-L700 HydrophobicContact CG-CD2 3.65Å; V686-L700 HydrophobicContact CB-CD2 4.13Å; V686-L700 HydrophobicContact CG1-CD2 3.93Å; V686-L700 HydrophobicContact CG1-CG 4.07Å; Q696-L700 HydrophobicContact CG-CD1 4.24Å; Q696-L700 WeakPolarHBondContact O-CB 3.47Å; Q696-L700 VanDerWaalsContact O-CG 3.24Å; Q696-L700 WeakPolarHBondContact O-CG 3.44Å; Q696-L700 PolarHBondContact O-N 2.9Å; L697-L700 PolarHBondContact O-N 2.98Å; L700-S704 PolarHBondContact O-N 3.49Å; L700-S704 VanDerWaalsContact O-N 3.11Å; L700-S704 PolarHBondContact O-OG 3.03Å
701	K	87.9	Confident	83.6	Confident	83 Å²	83	50.7 Å²	50.7	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-67.5	-44.6	176.9	-175.7	168.3	176.6	167	0	111.6	I60 L61 L697 V698 A699 S704 S705	I60-K701 VanDerWaalsContact O-CE 3.31Å; I60-K701 WeakPolarHBondContact O-CE 3.5Å; L61-K701 HydrophobicContact CD2-CD 4.34Å; L61-K701 PolarHBondContact O-NZ 2.72Å; L697-K701 WeakPolarHBondContact O-CB 3.28Å; L697-K701 PolarHBondContact O-N 3.15Å; V698-K701 PolarHBondContact O-N 2.91Å; A699-K701 VanDerWaalsContact C-N 3.34Å; A699-K701 PolarHBondContact O-N 2.89Å; K701-S704 PolarHBondContact O-N 3.07Å; K701-S705 PolarHBondContact O-N 2.8Å; K701-S705 VanDerWaalsContact O-N 3.1Å
702	A	85.6	Confident	84.6	Confident	7 Å²	7	50.7 Å²	50.7	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-48.6	175.7	0	0	0	0	0	111.5	I60 Y656 V698 A699 S704 S705 D706	I60-A702 HydrophobicContact CG2-CB 4.02Å; Y656-A702 HydrophobicContact CE2-CB 4.02Å; V698-A702 WeakPolarHBondContact O-CB 3.41Å; V698-A702 PolarHBondContact O-N 3.37Å; A699-A702 PolarHBondContact O-N 3.35Å; A702-S704 VanDerWaalsContact C-N 3.33Å; A702-S704 PolarHBondContact O-N 3.28Å; A702-S705 PolarHBondContact O-N 3.46Å; A702-S705 VanDerWaalsContact O-N 3.13Å; A702-D706 WeakPolarHBondContact O-CB 3.24Å; A702-D706 PolarHBondContact O-N 2.93Å
703	Q	87.3	Confident	85.7	Confident	20 Å²	20	46.9 Å²	46.9	9%	0.093	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-41.3	178	-76.1	-176.3	-15.7	0	0	112.8	L679 L682 A699 S705 D706 Y707	L679-Q703 HydrophobicContact CD1-CB 4.11Å; L682-Q703 VanDerWaalsContact C-OE1 3.32Å; L682-Q703 PolarHBondContact O-NE2 2.67Å; L682-Q703 PolarHBondContact O-OE1 2.77Å; A699-Q703 WeakPolarHBondContact O-CG 3.38Å; A699-Q703 PolarHBondContact O-N 2.99Å; Q703-S705 VanDerWaalsContact C-N 3.27Å; Q703-S705 PolarHBondContact O-N 3.3Å; Q703-D706 PolarHBondContact O-N 3.44Å; Q703-Y707 CarbonylContact O-C 3.57Å; Q703-Y707 WeakPolarHBondContact O-CA 3.39Å; Q703-Y707 PolarHBondContact O-N 2.83Å
704	S	87.5	Confident	86.7	Confident	40 Å²	40	42.5 Å²	42.5	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-65.2	-33.1	178.1	-54.1	0	0	0	0	112.2	Q683 L700 K701 A702	Q683-S704 PolarHBondContact NE2-OG 2.62Å; L700-S704 PolarHBondContact O-N 3.49Å; L700-S704 VanDerWaalsContact O-N 3.11Å; L700-S704 PolarHBondContact O-OG 3.03Å; K701-S704 PolarHBondContact O-N 3.07Å; A702-S704 VanDerWaalsContact C-N 3.33Å; A702-S704 PolarHBondContact O-N 3.28Å
705	S	85.7	Confident	87.6	Confident	54 Å²	54	37.4 Å²	37.4	38%	0.378	21%	0.205	S	C	.	.	H	α-helix	trans	-77.2	-42.7	176.4	-173.6	0	0	0	0	112.3	K701 A702 Q703	K701-S705 PolarHBondContact O-N 2.8Å; K701-S705 VanDerWaalsContact O-N 3.1Å; A702-S705 PolarHBondContact O-N 3.46Å; A702-S705 VanDerWaalsContact O-N 3.13Å; Q703-S705 VanDerWaalsContact C-N 3.27Å; Q703-S705 PolarHBondContact O-N 3.3Å
706	D	83.6	Confident	88.5	Confident	34 Å²	34	36.4 Å²	36.4	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-83.2	-32.9	-172.8	-68.4	-27.8	0	0	0	112.9	K655 Y656 A702 Q703 P708	K655-D706 WeakPolarHBondContact CD-OD1 3.29Å; K655-D706 IonicContact NZ-OD1 4Å; K655-D706 PolarHBondContact NZ-OD1 2.83Å; Y656-D706 WeakPolarHBondContact CE2-OD2 3.49Å; Y656-D706 PolarHBondContact OH-OD1 2.9Å; Y656-D706 PolarHBondContact OH-OD2 2.95Å; A702-D706 WeakPolarHBondContact O-CB 3.24Å; A702-D706 PolarHBondContact O-N 2.93Å; Q703-D706 PolarHBondContact O-N 3.44Å; D706-P708 VanDerWaalsContact C-CD 3.47Å
707	Y	87.1	Confident	89.1	Confident	38 Å²	38	34 Å²	34	15%	0.149	19%	0.189	C	C	.	.			trans	-131.2	57.7	-175.9	-49.6	-63.1	0	0	0	111.8	I668 L682 Q703 N709 G710 I711 V737	I668-Y707 HydrophobicContact CD1-CE2 3.95Å; I668-Y707 WeakPolarHBondContact CD1-OH 3.14Å; L682-Y707 HydrophobicContact CD1-CD2 4.3Å; L682-Y707 HydrophobicContact CD1-CG 4.4Å; Q703-Y707 CarbonylContact O-C 3.57Å; Q703-Y707 WeakPolarHBondContact O-CA 3.39Å; Q703-Y707 PolarHBondContact O-N 2.83Å; Y707-N709 PolarHBondContact O-N 3Å; Y707-N709 VanDerWaalsContact O-N 3.12Å; Y707-G710 PolarHBondContact O-N 2.99Å; Y707-I711 HydrophobicContact CD1-CD1 4.4Å; Y707-I711 HydrophobicContact CD1-CG1 3.68Å; Y707-I711 HydrophobicContact CD2-CG1 4.47Å; Y707-I711 HydrophobicContact CE1-CD1 4.41Å; Y707-I711 HydrophobicContact CE1-CG1 4.04Å; Y707-I711 HydrophobicContact CG-CD1 4.5Å; Y707-I711 HydrophobicContact CG-CG1 3.93Å; Y707-V737 HydrophobicContact CD1-CG2 4.44Å; Y707-V737 HydrophobicContact CE1-CB 3.99Å; Y707-V737 HydrophobicContact CE1-CG2 3.47Å; Y707-V737 VanDerWaalsContact CE1-CG2 3.47Å
708	P	87.1	Confident	89.7	Confident	74 Å²	74	28.3 Å²	28.3	48%	0.481	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.4	-175	23.8	-34.5	0	0	0	113.2	D706	D706-P708 VanDerWaalsContact C-CD 3.47Å
709	N	85.4	Confident	90.3	Very high	156 Å²	156	28.3 Å²	28.3	83%	0.834	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	13.2	177	-59.8	-34.4	0	0	0	112.7	Y707	Y707-N709 PolarHBondContact O-N 3Å; Y707-N709 VanDerWaalsContact O-N 3.12Å
710	G	89.5	Confident	90.9	Very high	10 Å²	10	28.3 Å²	28.3	10%	0.103	16%	0.159	C	C	.	.			trans	78.5	-171.8	-168	0	0	0	0	0	113.8	A677 Y707	A677-G710 CarbonylContact O-C 3.54Å; A677-G710 WeakPolarHBondContact O-CA 3.5Å; Y707-G710 PolarHBondContact O-N 2.99Å
711	I	91.1	Very high	91.3	Very high	6 Å²	6	27 Å²	27	3%	0.031	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-98.2	123.9	176.6	-65.6	171.3	0	0	0	108.5	I668 D672 V673 G676 A677 L682 Y707 V737	I668-I711 HydrophobicContact CG2-CD1 4.01Å; D672-I711 WeakPolarHBondContact O-CG2 3.18Å; V673-I711 HydrophobicContact CG2-CG2 4.34Å; G676-I711 CarbonylContact C-O 3.48Å; G676-I711 WeakPolarHBondContact CA-O 3.19Å; A677-I711 PolarHBondContact N-O 2.82Å; A677-I711 PolarHBondContact O-N 3.1Å; L682-I711 HydrophobicContact CD1-CD1 3.9Å; L682-I711 HydrophobicContact CD1-CG1 3.96Å; L682-I711 HydrophobicContact CD2-CD1 4.07Å; Y707-I711 HydrophobicContact CD1-CD1 4.4Å; Y707-I711 HydrophobicContact CD1-CG1 3.68Å; Y707-I711 HydrophobicContact CD2-CG1 4.47Å; Y707-I711 HydrophobicContact CE1-CD1 4.41Å; Y707-I711 HydrophobicContact CE1-CG1 4.04Å; Y707-I711 HydrophobicContact CG-CD1 4.5Å; Y707-I711 HydrophobicContact CG-CG1 3.93Å; I711-V737 HydrophobicContact CG1-CG2 4.48Å; I711-V737 HydrophobicContact CG2-CG1 4.04Å
712	P	91.1	Very high	91.7	Very high	25 Å²	25	23 Å²	23	16%	0.162	14%	0.135	C	C	.	.			trans	-74.2	151.9	176.6	30.3	-33.4	0	0	0	111.4	W75 C714 I741	W75-P712 HydrophobicContact CD2-CB 4.35Å; W75-P712 HydrophobicContact CZ2-CB 4.09Å; P712-C714 PolarHBondContact O-N 2.66Å; P712-C714 PolarHBondContact O-SG 2.99Å; P712-I741 HydrophobicContact CG-CD1 3.44Å; P712-I741 VanDerWaalsContact CG-CD1 3.44Å; P712-I741 HydrophobicContact CG-CG1 3.82Å
713	Q	92.1	Very high	92.2	Very high	16 Å²	16	22.8 Å²	22.8	8%	0.075	13%	0.133	C	C	.	.			trans	-62.3	114.9	175.2	-175.3	-178	49.9	0	0	111.5	P105 D106 M674 H675 R744	P105-Q713 HydrophobicContact CG-CG 4.41Å; D106-Q713 PolarHBondContact OD1-NE2 3.19Å; D106-Q713 PolarHBondContact OD2-NE2 3.33Å; M674-Q713 VanDerWaalsContact O-CG 3.22Å; M674-Q713 WeakPolarHBondContact O-CG 3.43Å; H675-Q713 WeakPolarHBondContact O-CB 3.19Å; Q713-R744 VanDerWaalsContact O-CD 3.31Å; Q713-R744 WeakPolarHBondContact O-CD 3.4Å; Q713-R744 PolarHBondContact O-NE 3.34Å
714	C	93.3	Very high	92.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.			trans	-104.9	-29.1	-178.2	-64.4	0	0	0	0	114.7	V673 M674 P712 A718 V740 R744	V673-C714 HydrophobicContact CG1-CB 4.2Å; V673-C714 WeakPolarHBondContact O-CB 3.17Å; V673-C714 PolarHBondContact O-N 3.25Å; M674-C714 PolarHBondContact O-N 3.06Å; P712-C714 PolarHBondContact O-N 2.66Å; P712-C714 PolarHBondContact O-SG 2.99Å; C714-A718 HydrophobicContact CB-CB 4.46Å; C714-A718 WeakPolarHBondContact O-CB 3.27Å; C714-V740 HydrophobicContact CB-CG1 3.58Å; C714-R744 WeakPolarHBondContact O-CG 3.25Å
715	G	95.5	Very high	93	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.			trans	82.6	161.9	-170.4	0	0	0	0	0	114	E109 M674 L719	E109-G715 VanDerWaalsContact OE1-CA 3.32Å; E109-G715 WeakPolarHBondContact OE1-CA 3.46Å; M674-G715 PolarHBondContact O-N 3.49Å; G715-L719 PolarHBondContact O-N 2.69Å
716	T	97.8	Very high	93.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.4	-47.6	-173.1	-57.5	0	0	0	0	112.6	E109 G234 M674 A718 L719 R720 F868	E109-T716 VanDerWaalsContact CD-OG1 3.32Å; E109-T716 PolarHBondContact OE1-N 3.41Å; E109-T716 PolarHBondContact OE1-OG1 3.06Å; E109-T716 PolarHBondContact OE2-OG1 3.05Å; G234-T716 WeakPolarHBondContact O-CG2 3.26Å; G234-T716 PolarHBondContact O-OG1 2.84Å; M674-T716 HydrophobicContact CE-CG2 4.45Å; M674-T716 WeakPolarHBondContact CE-OG1 3.28Å; T716-A718 VanDerWaalsContact C-N 3.29Å; T716-A718 PolarHBondContact O-N 3.01Å; T716-L719 PolarHBondContact O-N 3.32Å; T716-R720 HydrophobicContact CG2-CG 4.34Å; T716-R720 WeakPolarHBondContact O-CG 3.32Å; T716-R720 PolarHBondContact O-N 3.43Å; T716-F868 HydrophobicContact CG2-CD2 4.08Å; T716-F868 HydrophobicContact CG2-CE2 3.67Å
717	D	98.4	Very high	93.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-37	-178.2	-65.2	-38.5	0	0	0	112.2	F721 M866 P867 F868 I869	D717-F721 VanDerWaalsContact O-CB 3.26Å; D717-F721 WeakPolarHBondContact O-CB 3.21Å; D717-F721 PolarHBondContact O-N 3.43Å; D717-M866 HydrophobicContact CB-CB 3.83Å; D717-M866 HydrophobicContact CB-CE 3.83Å; D717-M866 HydrophobicContact CB-CG 4.07Å; D717-M866 WeakPolarHBondContact OD1-CA 3.43Å; D717-P867 WeakPolarHBondContact OD1-CD 3.47Å; D717-F868 PolarHBondContact OD1-N 2.83Å; D717-F868 VanDerWaalsContact OD1-N 3.08Å; D717-F868 WeakPolarHBondContact OD2-CB 3.19Å; D717-I869 HydrophobicContact CB-CG2 4.2Å; D717-I869 VanDerWaalsContact OD2-CB 3.28Å; D717-I869 WeakPolarHBondContact OD2-CB 3.49Å; D717-I869 VanDerWaalsContact OD2-CG2 3.24Å; D717-I869 WeakPolarHBondContact OD2-CG2 3.2Å; D717-I869 PolarHBondContact OD2-N 3.07Å
718	A	97.8	Very high	93.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-42.8	176.9	0	0	0	0	0	111.3	C714 T716 A722 V740 F743 R744	C714-A718 HydrophobicContact CB-CB 4.46Å; C714-A718 WeakPolarHBondContact O-CB 3.27Å; T716-A718 VanDerWaalsContact C-N 3.29Å; T716-A718 PolarHBondContact O-N 3.01Å; A718-A722 VanDerWaalsContact O-CB 3.28Å; A718-A722 WeakPolarHBondContact O-CB 3.18Å; A718-A722 PolarHBondContact O-N 2.88Å; A718-V740 HydrophobicContact CB-CG1 4.1Å; A718-F743 HydrophobicContact CB-CB 4.18Å; A718-R744 HydrophobicContact CB-CB 4.1Å
719	L	97.6	Very high	93.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-49.1	176.6	174.7	58.8	0	0	0	111.5	L153 L235 P670 V673 M674 G715 T716 F721 A722 L723 L735 V740	L153-L719 HydrophobicContact CD2-CD1 3.88Å; L153-L719 HydrophobicContact CD2-CD2 4.32Å; L235-L719 HydrophobicContact CD2-CD2 4.11Å; P670-L719 HydrophobicContact CB-CD2 4.04Å; V673-L719 HydrophobicContact CB-CD2 4.45Å; V673-L719 HydrophobicContact CG1-CD1 4.22Å; M674-L719 HydrophobicContact CG-CD2 4.1Å; M674-L719 HydrophobicContact SD-CD2 4.43Å; G715-L719 PolarHBondContact O-N 2.69Å; T716-L719 PolarHBondContact O-N 3.32Å; L719-F721 PolarHBondContact O-N 3.37Å; L719-A722 WeakPolarHBondContact O-CB 3.27Å; L719-A722 PolarHBondContact O-N 3.35Å; L719-L723 HydrophobicContact CD1-CD1 3.79Å; L719-L723 HydrophobicContact CD1-CG 4.08Å; L719-L723 HydrophobicContact CG-CD1 3.92Å; L719-L723 VanDerWaalsContact O-CG 3.28Å; L719-L723 WeakPolarHBondContact O-CG 3.43Å; L719-L723 PolarHBondContact O-N 3.29Å; L719-L735 HydrophobicContact CD1-CD2 4.22Å; L719-V740 HydrophobicContact CB-CG1 4.24Å; L719-V740 HydrophobicContact CD1-CG2 4.36Å
720	R	98.3	Very high	92.9	Very high	3 Å²	3	13.3 Å²	13.3	1%	0.011	8%	0.079	C	C	.	.	H	α-helix	trans	-61	-46.7	-179.9	-70.5	174.6	61.8	135.2	-0.8	112.4	A160 D163 L235 G236 T716 A722 L723 C724 P864 F865	A160-R720 HydrophobicContact CB-CB 4.26Å; A160-R720 HydrophobicContact CB-CG 4.24Å; D163-R720 IonicContact OD2-CZ 3.27Å; D163-R720 IonicContact OD2-NH1 2.8Å; D163-R720 PolarHBondContact OD2-NH1 3.02Å; D163-R720 IonicContact OD2-NH2 3.98Å; D163-R720 PolarHBondContact OD2-NH2 3.26Å; L235-R720 WeakPolarHBondContact O-CD 3.39Å; L235-R720 PolarHBondContact O-NH1 2.95Å; G236-R720 PolarHBondContact O-NH1 3.41Å; T716-R720 HydrophobicContact CG2-CG 4.34Å; T716-R720 WeakPolarHBondContact O-CG 3.32Å; T716-R720 PolarHBondContact O-N 3.43Å; R720-A722 VanDerWaalsContact C-N 3.34Å; R720-A722 PolarHBondContact O-N 3.4Å; R720-L723 PolarHBondContact O-N 2.96Å; R720-C724 PolarHBondContact O-N 3.16Å; R720-C724 PolarHBondContact O-SG 3.36Å; R720-C724 VanDerWaalsContact O-SG 3.36Å; R720-P864 PolarHBondContact NH2-O 3.41Å; R720-F865 VanDerWaalsContact CB-O 3.27Å; R720-F865 WeakPolarHBondContact CB-O 3.18Å; R720-F865 PolarHBondContact NE-O 3.22Å
721	F	98	Very high	92.3	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-65.3	-39	179.2	-161.8	-89.3	0	0	0	111.5	D717 L719 C724 S725 F743 T807 F811 F862 F865 M866	D717-F721 VanDerWaalsContact O-CB 3.26Å; D717-F721 WeakPolarHBondContact O-CB 3.21Å; D717-F721 PolarHBondContact O-N 3.43Å; L719-F721 PolarHBondContact O-N 3.37Å; F721-C724 PolarHBondContact O-N 3.27Å; F721-S725 WeakPolarHBondContact O-CB 3.39Å; F721-S725 PolarHBondContact O-N 2.9Å; F721-F743 AromaticContact CD1-CD1 3.32Å; F721-F743 HydrophobicContact CD1-CD1 3.32Å; F721-F743 HydrophobicContact CD1-CD2 4.4Å; F721-F743 AromaticContact CD1-CE1 3.35Å; F721-F743 HydrophobicContact CD1-CE1 3.35Å; F721-F743 HydrophobicContact CD1-CE2 4.39Å; F721-F743 AromaticContact CD1-CG 3.88Å; F721-F743 HydrophobicContact CD1-CG 3.88Å; F721-F743 AromaticContact CD1-CZ 3.89Å; F721-F743 HydrophobicContact CD1-CZ 3.89Å; F721-F743 AromaticContact CE1-CD1 3.73Å; F721-F743 HydrophobicContact CE1-CD1 3.73Å; F721-F743 AromaticContact CE1-CE1 3.4Å; F721-F743 HydrophobicContact CE1-CE1 3.4Å; F721-F743 VanDerWaalsContact CE1-CE1 3.4Å; F721-F743 HydrophobicContact CE1-CZ 4.09Å; F721-F743 HydrophobicContact CG-CD1 4.4Å; F721-T807 HydrophobicContact CD2-CG2 4.07Å; F721-T807 HydrophobicContact CE1-CG2 4.47Å; F721-T807 HydrophobicContact CE2-CG2 3.77Å; F721-T807 HydrophobicContact CZ-CG2 4.02Å; F721-T807 WeakPolarHBondContact CZ-O 3.39Å; F721-F811 HydrophobicContact CE1-CB 4.31Å; F721-F811 HydrophobicContact CE1-CD2 4.39Å; F721-F811 HydrophobicContact CZ-CB 4.19Å; F721-F862 HydrophobicContact CD2-CD1 4.45Å; F721-F862 AromaticContact CE2-CD1 3.76Å; F721-F862 HydrophobicContact CE2-CD1 3.76Å; F721-F862 AromaticContact CE2-CE1 3.62Å; F721-F862 HydrophobicContact CE2-CE1 3.62Å; F721-F862 HydrophobicContact CZ-CD1 4.48Å; F721-F862 AromaticContact CZ-CE1 3.88Å; F721-F862 HydrophobicContact CZ-CE1 3.88Å; F721-F865 HydrophobicContact CD2-CB 3.77Å; F721-F865 HydrophobicContact CD2-CG 4.4Å; F721-F865 HydrophobicContact CE2-CB 4.38Å; F721-M866 HydrophobicContact CB-CG 3.99Å; F721-M866 HydrophobicContact CB-SD 4.17Å; F721-M866 HydrophobicContact CD2-CG 3.67Å; F721-M866 HydrophobicContact CD2-SD 3.58Å; F721-M866 VanDerWaalsContact CD2-SD 3.58Å; F721-M866 HydrophobicContact CE2-SD 4.15Å; F721-M866 HydrophobicContact CG-CG 4.19Å; F721-M866 HydrophobicContact CG-SD 3.96Å
722	A	96.3	Very high	91.8	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.2	-50.3	173.7	0	0	0	0	0	111.6	A718 L719 R720 C724 S725 H726 L735 V740 F743	A718-A722 VanDerWaalsContact O-CB 3.28Å; A718-A722 WeakPolarHBondContact O-CB 3.18Å; A718-A722 PolarHBondContact O-N 2.88Å; L719-A722 WeakPolarHBondContact O-CB 3.27Å; L719-A722 PolarHBondContact O-N 3.35Å; R720-A722 VanDerWaalsContact C-N 3.34Å; R720-A722 PolarHBondContact O-N 3.4Å; A722-C724 PolarHBondContact O-N 2.85Å; A722-S725 PolarHBondContact O-N 3.38Å; A722-S725 VanDerWaalsContact O-N 3.15Å; A722-S725 PolarHBondContact O-OG 2.95Å; A722-H726 PolarHBondContact O-CD2 2.96Å; A722-H726 VanDerWaalsContact O-CD2 3.3Å; A722-L735 HydrophobicContact CB-CD1 4.15Å; A722-V740 HydrophobicContact CB-CB 4.49Å; A722-V740 HydrophobicContact CB-CG2 3.95Å; A722-F743 HydrophobicContact CB-CD2 3.56Å; A722-F743 HydrophobicContact CB-CE2 3.95Å
723	L	95.6	Very high	91.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-44.1	-179.9	-70.9	166.7	0	0	0	112.1	A156 L157 A160 L719 R720 S725 H726 L735	A156-L723 HydrophobicContact CB-CD1 3.79Å; L157-L723 HydrophobicContact CB-CD2 4.21Å; L157-L723 HydrophobicContact CD1-CB 3.99Å; L157-L723 HydrophobicContact CD1-CD2 4.44Å; A160-L723 HydrophobicContact CB-CB 4.43Å; A160-L723 HydrophobicContact CB-CD1 4.49Å; L719-L723 HydrophobicContact CD1-CD1 3.79Å; L719-L723 HydrophobicContact CD1-CG 4.08Å; L719-L723 HydrophobicContact CG-CD1 3.92Å; L719-L723 VanDerWaalsContact O-CG 3.28Å; L719-L723 WeakPolarHBondContact O-CG 3.43Å; L719-L723 PolarHBondContact O-N 3.29Å; R720-L723 PolarHBondContact O-N 2.96Å; L723-S725 VanDerWaalsContact C-N 3.27Å; L723-S725 PolarHBondContact O-N 3.48Å; L723-H726 PolarHBondContact O-N 3.3Å; L723-L735 HydrophobicContact CD2-CD1 4.34Å; L723-L735 HydrophobicContact CD2-CD2 3.56Å; L723-L735 HydrophobicContact CD2-CG 4.44Å; L723-L735 HydrophobicContact CG-CD2 4.27Å
724	C	96.8	Very high	91.2	Very high	4 Å²	4	20 Å²	20	3%	0.027	13%	0.133	C	C	.	.	H	α-helix	trans	-75.1	-12	179.2	-63.9	0	0	0	0	114.1	R720 F721 A722 H726 L803 H804 T807 F865	R720-C724 PolarHBondContact O-N 3.16Å; R720-C724 PolarHBondContact O-SG 3.36Å; R720-C724 VanDerWaalsContact O-SG 3.36Å; F721-C724 PolarHBondContact O-N 3.27Å; A722-C724 PolarHBondContact O-N 2.85Å; C724-H726 VanDerWaalsContact C-N 3.29Å; C724-L803 CarbonylContact O-C 3.46Å; C724-H804 VanDerWaalsContact O-CA 3.28Å; C724-H804 WeakPolarHBondContact O-CA 3.28Å; C724-H804 PolarHBondContact O-N 3.45Å; C724-T807 HydrophobicContact CB-CG2 3.92Å; C724-F865 HydrophobicContact CB-CD1 3.69Å; C724-F865 HydrophobicContact CB-CE1 3.87Å
725	S	95.4	Very high	90.6	Very high	31 Å²	31	20.5 Å²	20.5	22%	0.217	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.5	176.9	74.5	0	0	0	0	113.9	F721 A722 L723 H804 T807	F721-S725 WeakPolarHBondContact O-CB 3.39Å; F721-S725 PolarHBondContact O-N 2.9Å; A722-S725 PolarHBondContact O-N 3.38Å; A722-S725 VanDerWaalsContact O-N 3.15Å; A722-S725 PolarHBondContact O-OG 2.95Å; L723-S725 VanDerWaalsContact C-N 3.27Å; L723-S725 PolarHBondContact O-N 3.48Å; S725-H804 WeakPolarHBondContact O-CB 3.11Å; S725-T807 WeakPolarHBondContact CA-OG1 3.3Å
726	H	92.8	Very high	90	Very high	40 Å²	40	23.1 Å²	23.1	19%	0.185	15%	0.154	C	C	.	.	S	Bend	trans	-85	144.5	174.8	-73.6	-87.8	0	0	0	111.6	A722 L723 C724 M728 I733 E739	A722-H726 PolarHBondContact O-CD2 2.96Å; A722-H726 VanDerWaalsContact O-CD2 3.3Å; L723-H726 PolarHBondContact O-N 3.3Å; C724-H726 VanDerWaalsContact C-N 3.29Å; H726-M728 PolarHBondContact O-N 3.34Å; H726-I733 HydrophobicContact CB-CD1 4.12Å; H726-I733 HydrophobicContact CB-CG1 3.98Å; H726-I733 HydrophobicContact CB-CG2 3.97Å; H726-E739 IonicContact CD2-OE2 2.75Å; H726-E739 IonicContact CE1-OE1 3.23Å; H726-E739 IonicContact CE1-OE2 3.96Å; H726-E739 PolarHBondContact CE1-OE2 3.5Å; H726-E739 VanDerWaalsContact NE2-CD 3.35Å; H726-E739 IonicContact NE2-OE1 3.68Å; H726-E739 PolarHBondContact NE2-OE1 2.96Å; H726-E739 IonicContact NE2-OE2 2.92Å; H726-E739 PolarHBondContact NE2-OE2 3.18Å
727	N	90.4	Very high	89.4	Confident	75 Å²	75	23.7 Å²	23.7	40%	0.401	16%	0.158	S	C	.	.			trans	-70	95.4	171.2	-176.7	-4.9	0	0	0	110.6	Q729 G730	N727-Q729 VanDerWaalsContact C-N 3.31Å; N727-Q729 PolarHBondContact O-N 3.02Å; N727-Q729 PolarHBondContact OD1-N 3.25Å; N727-Q729 VanDerWaalsContact OD1-N 3.14Å; N727-G730 PolarHBondContact O-N 3.27Å; N727-G730 VanDerWaalsContact O-N 3.15Å; N727-G730 PolarHBondContact OD1-N 3.41Å
728	M	86.3	Confident	88.6	Confident	5 Å²	5	26 Å²	26	3%	0.025	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.9	-178	66.7	-178.2	173.5	0	0	114.7	V161 L647 H649 S650 H726 G730 I733 Y801 L803	V161-M728 HydrophobicContact CB-SD 4.3Å; V161-M728 HydrophobicContact CG1-CE 4.02Å; V161-M728 HydrophobicContact CG1-SD 3.69Å; V161-M728 HydrophobicContact CG2-SD 3.54Å; V161-M728 VanDerWaalsContact CG2-SD 3.54Å; L647-M728 HydrophobicContact CD2-CE 4.13Å; H649-M728 HydrophobicContact CB-CB 4.09Å; S650-M728 WeakPolarHBondContact CB-O 3.49Å; S650-M728 PolarHBondContact N-O 3.1Å; H726-M728 PolarHBondContact O-N 3.34Å; M728-G730 VanDerWaalsContact C-N 3.26Å; M728-I733 HydrophobicContact CB-CD1 4.49Å; M728-Y801 WeakPolarHBondContact CE-O 3.27Å; M728-L803 HydrophobicContact CE-CB 4.23Å; M728-L803 HydrophobicContact CE-CD1 3.82Å; M728-L803 HydrophobicContact CE-CG 3.68Å; M728-L803 HydrophobicContact SD-CD1 4.36Å
729	Q	82.4	Confident	88.1	Confident	40 Å²	40	28.2 Å²	28.2	19%	0.187	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.1	174.9	-65.8	-172.3	39.4	0	0	112.1	P502 Y504 L647 N727 A800 Y801	P502-Q729 HydrophobicContact CG-CB 3.69Å; P502-Q729 HydrophobicContact CG-CG 4.01Å; Y504-Q729 PolarHBondContact OH-O 3.39Å; L647-Q729 HydrophobicContact CD1-CG 4.39Å; N727-Q729 VanDerWaalsContact C-N 3.31Å; N727-Q729 PolarHBondContact O-N 3.02Å; N727-Q729 PolarHBondContact OD1-N 3.25Å; N727-Q729 VanDerWaalsContact OD1-N 3.14Å; Q729-A800 PolarHBondContact NE2-O 2.95Å; Q729-Y801 PolarHBondContact NE2-O 2.87Å
730	G	74.9	Confident	87.8	Confident	22 Å²	22	28.2 Å²	28.2	23%	0.227	18%	0.184	C	C	.	.	S	Bend	trans	-98.1	-153.4	-177.7	0	0	0	0	0	113.9	S650 N727 M728	S650-G730 PolarHBondContact OG-O 3.2Å; N727-G730 PolarHBondContact O-N 3.27Å; N727-G730 VanDerWaalsContact O-N 3.15Å; N727-G730 PolarHBondContact OD1-N 3.41Å; M728-G730 VanDerWaalsContact C-N 3.26Å
731	G	76.9	Confident	87.5	Confident	52 Å²	52	28.8 Å²	28.8	54%	0.536	19%	0.187	S	C	.	.	S	Bend	trans	-64.4	-179.2	178.6	0	0	0	0	0	114.2	S650	S650-G731 WeakPolarHBondContact CB-O 3.26Å; S650-G731 PolarHBondContact OG-O 3.46Å; S650-G731 VanDerWaalsContact OG-O 3.11Å
732	P	80.8	Confident	87.2	Confident	83 Å²	83	30.6 Å²	30.6	54%	0.539	20%	0.197	S	C	.	.			trans	-60.9	142	-176.1	-19.5	30.1	0	0	0	113.7	R653	R653-P732 HydrophobicContact CG-CB 4.14Å
733	I	85.6	Confident	87.2	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.7	-179.2	-62	169.6	0	0	0	109.2	L157 L651 V652 R653 H726 M728	L157-I733 HydrophobicContact CD1-CD1 4.35Å; L157-I733 HydrophobicContact CD2-CD1 3.55Å; L651-I733 PolarHBondContact O-N 3.35Å; V652-I733 CarbonylContact C-O 3.56Å; V652-I733 WeakPolarHBondContact CA-O 3.41Å; R653-I733 PolarHBondContact N-O 2.66Å; H726-I733 HydrophobicContact CB-CD1 4.12Å; H726-I733 HydrophobicContact CB-CG1 3.98Å; H726-I733 HydrophobicContact CB-CG2 3.97Å; M728-I733 HydrophobicContact CB-CD1 4.49Å
734	S	84.1	Confident	87.1	Confident	60 Å²	60	31.9 Å²	31.9	42%	0.42	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	90.8	172.3	-168.5	0	0	0	0	108.9	D654	D654-S734 PolarHBondContact O-OG 3.04Å
735	L	81.2	Confident	87	Confident	10 Å²	10	35.2 Å²	35.2	5%	0.052	22%	0.22	C	C	.	.			trans	-78	127.6	-179.7	-172.8	70.4	0	0	0	110	L153 V652 L719 A722 L723 V740	L153-L735 HydrophobicContact CD1-CD2 3.86Å; L153-L735 HydrophobicContact CD2-CD2 4.42Å; V652-L735 HydrophobicContact CG1-CB 4.24Å; L719-L735 HydrophobicContact CD1-CD2 4.22Å; A722-L735 HydrophobicContact CB-CD1 4.15Å; L723-L735 HydrophobicContact CD2-CD1 4.34Å; L723-L735 HydrophobicContact CD2-CD2 3.56Å; L723-L735 HydrophobicContact CD2-CG 4.44Å; L723-L735 HydrophobicContact CG-CD2 4.27Å; L735-V740 HydrophobicContact CD1-CG2 4.36Å; L735-V740 HydrophobicContact CD2-CG2 4.43Å; L735-V740 HydrophobicContact CG-CG2 4.5Å
736	S	82.4	Confident	87.1	Confident	55 Å²	55	34.1 Å²	34.1	39%	0.385	21%	0.211	S	C	.	.			trans	-107.1	137.1	172	177.6	0	0	0	0	110.6	S738 E739 V740	S736-S738 PolarHBondContact O-N 3.22Å; S736-S738 WeakPolarHBondContact OG-CB 3.36Å; S736-S738 PolarHBondContact OG-N 2.73Å; S736-E739 VanDerWaalsContact O-CB 3.3Å; S736-E739 WeakPolarHBondContact O-CB 3.24Å; S736-E739 PolarHBondContact O-N 3.47Å; S736-V740 PolarHBondContact O-N 3.44Å
737	V	84.8	Confident	87.3	Confident	13 Å²	13	32.2 Å²	32.2	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-30.7	171.9	174.6	0	0	0	0	111.6	Y707 I711 E739 V740 I741	Y707-V737 HydrophobicContact CD1-CG2 4.44Å; Y707-V737 HydrophobicContact CE1-CB 3.99Å; Y707-V737 HydrophobicContact CE1-CG2 3.47Å; Y707-V737 VanDerWaalsContact CE1-CG2 3.47Å; I711-V737 HydrophobicContact CG1-CG2 4.48Å; I711-V737 HydrophobicContact CG2-CG1 4.04Å; V737-E739 PolarHBondContact O-N 3.3Å; V737-V740 PolarHBondContact O-N 2.95Å; V737-V740 VanDerWaalsContact O-N 3.11Å; V737-I741 HydrophobicContact CG1-CD1 4.21Å; V737-I741 HydrophobicContact CG1-CG1 4.43Å; V737-I741 WeakPolarHBondContact O-CG1 3.37Å; V737-I741 PolarHBondContact O-N 3.01Å
738	S	82.6	Confident	87.6	Confident	48 Å²	48	31 Å²	31	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-33.1	175.2	-60.9	0	0	0	0	113.2	S736 L742	S736-S738 PolarHBondContact O-N 3.22Å; S736-S738 WeakPolarHBondContact OG-CB 3.36Å; S736-S738 PolarHBondContact OG-N 2.73Å; S738-L742 PolarHBondContact O-N 3.06Å
739	E	86.6	Confident	88	Confident	46 Å²	46	32.8 Å²	32.8	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-71.5	-40.7	175.2	-176.8	174.3	-149.1	0	0	111.2	H726 S736 V737 I741 L742 F743	H726-E739 IonicContact CD2-OE2 2.75Å; H726-E739 IonicContact CE1-OE1 3.23Å; H726-E739 IonicContact CE1-OE2 3.96Å; H726-E739 PolarHBondContact CE1-OE2 3.5Å; H726-E739 VanDerWaalsContact NE2-CD 3.35Å; H726-E739 IonicContact NE2-OE1 3.68Å; H726-E739 PolarHBondContact NE2-OE1 2.96Å; H726-E739 IonicContact NE2-OE2 2.92Å; H726-E739 PolarHBondContact NE2-OE2 3.18Å; S736-E739 VanDerWaalsContact O-CB 3.3Å; S736-E739 WeakPolarHBondContact O-CB 3.24Å; S736-E739 PolarHBondContact O-N 3.47Å; V737-E739 PolarHBondContact O-N 3.3Å; E739-I741 VanDerWaalsContact C-N 3.3Å; E739-I741 PolarHBondContact O-N 3.08Å; E739-L742 VanDerWaalsContact O-CB 3.26Å; E739-L742 WeakPolarHBondContact O-CB 3.41Å; E739-L742 PolarHBondContact O-N 2.73Å; E739-F743 HydrophobicContact CG-CD2 4.26Å; E739-F743 HydrophobicContact CG-CE2 3.8Å; E739-F743 VanDerWaalsContact O-CD2 3.27Å; E739-F743 WeakPolarHBondContact O-CD2 3.35Å; E739-F743 PolarHBondContact O-N 3.3Å
740	V	92.8	Very high	88.7	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-39.8	174.6	-168	0	0	0	0	111.1	V673 C714 A718 L719 A722 L735 S736 V737 L742 F743 R744	V673-V740 HydrophobicContact CG1-CB 4.36Å; V673-V740 HydrophobicContact CG1-CG1 3.88Å; V673-V740 HydrophobicContact CG1-CG2 4.36Å; C714-V740 HydrophobicContact CB-CG1 3.58Å; A718-V740 HydrophobicContact CB-CG1 4.1Å; L719-V740 HydrophobicContact CB-CG1 4.24Å; L719-V740 HydrophobicContact CD1-CG2 4.36Å; A722-V740 HydrophobicContact CB-CB 4.49Å; A722-V740 HydrophobicContact CB-CG2 3.95Å; L735-V740 HydrophobicContact CD1-CG2 4.36Å; L735-V740 HydrophobicContact CD2-CG2 4.43Å; L735-V740 HydrophobicContact CG-CG2 4.5Å; S736-V740 PolarHBondContact O-N 3.44Å; V737-V740 PolarHBondContact O-N 2.95Å; V737-V740 VanDerWaalsContact O-N 3.11Å; V740-L742 VanDerWaalsContact C-N 3.27Å; V740-L742 PolarHBondContact O-N 3.12Å; V740-F743 PolarHBondContact O-N 3.02Å; V740-F743 VanDerWaalsContact O-N 3.13Å; V740-R744 PolarHBondContact O-N 3.2Å
741	I	90.9	Very high	89.8	Confident	14 Å²	14	29.8 Å²	29.8	7%	0.072	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-36.2	174.3	-65.8	166.5	0	0	0	111.5	L73 P712 V737 E739 F743 R744 N745	L73-I741 HydrophobicContact CD1-CD1 4.19Å; P712-I741 HydrophobicContact CG-CD1 3.44Å; P712-I741 VanDerWaalsContact CG-CD1 3.44Å; P712-I741 HydrophobicContact CG-CG1 3.82Å; V737-I741 HydrophobicContact CG1-CD1 4.21Å; V737-I741 HydrophobicContact CG1-CG1 4.43Å; V737-I741 WeakPolarHBondContact O-CG1 3.37Å; V737-I741 PolarHBondContact O-N 3.01Å; E739-I741 VanDerWaalsContact C-N 3.3Å; E739-I741 PolarHBondContact O-N 3.08Å; I741-F743 VanDerWaalsContact C-N 3.32Å; I741-F743 PolarHBondContact O-N 3Å; I741-R744 WeakPolarHBondContact O-CB 3.33Å; I741-R744 PolarHBondContact O-N 3.13Å; I741-N745 PolarHBondContact O-N 3.35Å; I741-N745 PolarHBondContact O-ND2 2.99Å
742	L	91.4	Very high	90.7	Very high	39 Å²	39	29.8 Å²	29.8	20%	0.204	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.1	178.5	145.9	0	0	0	110.8	L19 S738 E739 V740 N745 F746 F811	L19-L742 HydrophobicContact CD2-CD1 3.86Å; L19-L742 HydrophobicContact CG-CD1 4.36Å; S738-L742 PolarHBondContact O-N 3.06Å; E739-L742 VanDerWaalsContact O-CB 3.26Å; E739-L742 WeakPolarHBondContact O-CB 3.41Å; E739-L742 PolarHBondContact O-N 2.73Å; V740-L742 VanDerWaalsContact C-N 3.27Å; V740-L742 PolarHBondContact O-N 3.12Å; L742-N745 WeakPolarHBondContact O-CB 3.04Å; L742-N745 PolarHBondContact O-N 3.37Å; L742-F746 PolarHBondContact O-N 3.41Å; L742-F811 HydrophobicContact CD2-CE2 4.47Å; L742-F811 HydrophobicContact CD2-CZ 4.47Å
743	F	95.7	Very high	91.5	Very high	14 Å²	14	26 Å²	26	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-72.7	-29.2	176.9	-65.9	-60.8	0	0	0	113.4	A718 F721 A722 E739 V740 I741 N745 F746 C747 F811	A718-F743 HydrophobicContact CB-CB 4.18Å; F721-F743 AromaticContact CD1-CD1 3.32Å; F721-F743 HydrophobicContact CD1-CD1 3.32Å; F721-F743 HydrophobicContact CD1-CD2 4.4Å; F721-F743 AromaticContact CD1-CE1 3.35Å; F721-F743 HydrophobicContact CD1-CE1 3.35Å; F721-F743 HydrophobicContact CD1-CE2 4.39Å; F721-F743 AromaticContact CD1-CG 3.88Å; F721-F743 HydrophobicContact CD1-CG 3.88Å; F721-F743 AromaticContact CD1-CZ 3.89Å; F721-F743 HydrophobicContact CD1-CZ 3.89Å; F721-F743 AromaticContact CE1-CD1 3.73Å; F721-F743 HydrophobicContact CE1-CD1 3.73Å; F721-F743 AromaticContact CE1-CE1 3.4Å; F721-F743 HydrophobicContact CE1-CE1 3.4Å; F721-F743 VanDerWaalsContact CE1-CE1 3.4Å; F721-F743 HydrophobicContact CE1-CZ 4.09Å; F721-F743 HydrophobicContact CG-CD1 4.4Å; A722-F743 HydrophobicContact CB-CD2 3.56Å; A722-F743 HydrophobicContact CB-CE2 3.95Å; E739-F743 HydrophobicContact CG-CD2 4.26Å; E739-F743 HydrophobicContact CG-CE2 3.8Å; E739-F743 VanDerWaalsContact O-CD2 3.27Å; E739-F743 WeakPolarHBondContact O-CD2 3.35Å; E739-F743 PolarHBondContact O-N 3.3Å; V740-F743 PolarHBondContact O-N 3.02Å; V740-F743 VanDerWaalsContact O-N 3.13Å; I741-F743 VanDerWaalsContact C-N 3.32Å; I741-F743 PolarHBondContact O-N 3Å; F743-N745 VanDerWaalsContact C-N 3.31Å; F743-N745 PolarHBondContact O-N 3.23Å; F743-F746 CarbonylContact O-C 3.55Å; F743-F746 WeakPolarHBondContact O-CA 3.24Å; F743-F746 VanDerWaalsContact O-CB 3.31Å; F743-F746 WeakPolarHBondContact O-CB 3.28Å; F743-F746 PolarHBondContact O-N 3.44Å; F743-F746 VanDerWaalsContact O-N 3.12Å; F743-C747 PolarHBondContact O-N 3.03Å; F743-C747 PolarHBondContact O-SG 2.99Å; F743-F811 HydrophobicContact CD1-CD2 4.44Å; F743-F811 HydrophobicContact CD1-CE2 4.38Å; F743-F811 HydrophobicContact CE1-CD2 4.04Å; F743-F811 HydrophobicContact CE1-CE2 4.12Å
744	R	94.8	Very high	92	Very high	14 Å²	14	25.9 Å²	25.9	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-59.8	-41.8	166.6	-177.7	-158.5	-179.2	-79.6	-4.6	111.8	Y103 Q713 C714 A718 V740 I741 F746 C747 N748	Y103-R744 HydrophobicContact CE1-CG 4.3Å; Q713-R744 VanDerWaalsContact O-CD 3.31Å; Q713-R744 WeakPolarHBondContact O-CD 3.4Å; Q713-R744 PolarHBondContact O-NE 3.34Å; C714-R744 WeakPolarHBondContact O-CG 3.25Å; A718-R744 HydrophobicContact CB-CB 4.1Å; V740-R744 PolarHBondContact O-N 3.2Å; I741-R744 WeakPolarHBondContact O-CB 3.33Å; I741-R744 PolarHBondContact O-N 3.13Å; R744-F746 VanDerWaalsContact C-N 3.28Å; R744-F746 PolarHBondContact O-N 2.89Å; R744-C747 WeakPolarHBondContact O-CB 3.14Å; R744-C747 PolarHBondContact O-N 3.37Å; R744-N748 PolarHBondContact O-N 3.35Å
745	N	94.4	Very high	92.5	Very high	75 Å²	75	26.6 Å²	26.6	40%	0.401	14%	0.138	S	C	.	.	H	α-helix	trans	-67.2	-33.5	175.3	-67.5	-35.2	0	0	0	111.6	I741 L742 F743 N748 K749	I741-N745 PolarHBondContact O-N 3.35Å; I741-N745 PolarHBondContact O-ND2 2.99Å; L742-N745 WeakPolarHBondContact O-CB 3.04Å; L742-N745 PolarHBondContact O-N 3.37Å; F743-N745 VanDerWaalsContact C-N 3.31Å; F743-N745 PolarHBondContact O-N 3.23Å; N745-N748 PolarHBondContact O-N 3.12Å; N745-K749 PolarHBondContact O-N 3.41Å
746	F	96.7	Very high	93.1	Very high	7 Å²	7	28 Å²	28	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-41.9	171.4	-179.9	-111.4	0	0	0	112.2	L742 F743 R744 N748 K749 M750 F811 W814 L815 F862 M866	L742-F746 PolarHBondContact O-N 3.41Å; F743-F746 CarbonylContact O-C 3.55Å; F743-F746 WeakPolarHBondContact O-CA 3.24Å; F743-F746 VanDerWaalsContact O-CB 3.31Å; F743-F746 WeakPolarHBondContact O-CB 3.28Å; F743-F746 PolarHBondContact O-N 3.44Å; F743-F746 VanDerWaalsContact O-N 3.12Å; R744-F746 VanDerWaalsContact C-N 3.28Å; R744-F746 PolarHBondContact O-N 2.89Å; F746-N748 VanDerWaalsContact C-N 3.28Å; F746-N748 PolarHBondContact O-N 3.07Å; F746-K749 CarbonylContact O-C 3.48Å; F746-K749 WeakPolarHBondContact O-CA 3.39Å; F746-K749 VanDerWaalsContact O-CB 3.26Å; F746-K749 WeakPolarHBondContact O-CB 3.44Å; F746-K749 PolarHBondContact O-N 2.67Å; F746-M750 HydrophobicContact CD1-CG 4.46Å; F746-M750 HydrophobicContact CD1-SD 4.18Å; F746-M750 HydrophobicContact CE1-CG 4.05Å; F746-M750 HydrophobicContact CE1-SD 3.65Å; F746-M750 HydrophobicContact CE2-CG 4.45Å; F746-M750 HydrophobicContact CZ-CG 4.03Å; F746-M750 HydrophobicContact CZ-SD 4.12Å; F746-M750 PolarHBondContact O-N 3.08Å; F746-F811 HydrophobicContact CB-CE2 4.08Å; F746-F811 HydrophobicContact CD1-CD2 4.11Å; F746-F811 HydrophobicContact CD1-CE2 4.38Å; F746-F811 AromaticContact CD2-CD2 3.69Å; F746-F811 HydrophobicContact CD2-CD2 3.69Å; F746-F811 AromaticContact CD2-CE2 3.5Å; F746-F811 HydrophobicContact CD2-CE2 3.5Å; F746-F811 HydrophobicContact CE1-CD2 4.18Å; F746-F811 AromaticContact CE2-CD2 3.76Å; F746-F811 HydrophobicContact CE2-CD2 3.76Å; F746-F811 HydrophobicContact CE2-CE2 4.01Å; F746-F811 AromaticContact CG-CD2 3.88Å; F746-F811 HydrophobicContact CG-CD2 3.88Å; F746-F811 AromaticContact CG-CE2 3.72Å; F746-F811 HydrophobicContact CG-CE2 3.72Å; F746-F811 HydrophobicContact CZ-CD2 4.02Å; F746-W814 HydrophobicContact CE2-CB 4.1Å; F746-W814 AromaticContact CE2-CD1 3.7Å; F746-W814 HydrophobicContact CE2-CG 4.04Å; F746-W814 HydrophobicContact CZ-CB 3.94Å; F746-W814 AromaticContact CZ-CG 3.96Å; F746-W814 HydrophobicContact CZ-CG 3.96Å; F746-L815 HydrophobicContact CE2-CB 4.49Å; F746-F862 AromaticContact CE1-CE1 3.72Å; F746-F862 HydrophobicContact CE1-CE1 3.72Å; F746-F862 AromaticContact CE1-CZ 3.92Å; F746-F862 HydrophobicContact CE1-CZ 3.92Å; F746-F862 AromaticContact CZ-CE1 3.93Å; F746-F862 HydrophobicContact CZ-CE1 3.93Å; F746-F862 AromaticContact CZ-CZ 3.63Å; F746-F862 HydrophobicContact CZ-CZ 3.63Å; F746-M866 HydrophobicContact CD1-CE 4.4Å; F746-M866 HydrophobicContact CD1-SD 4.45Å; F746-M866 HydrophobicContact CE1-SD 4.25Å
747	C	97.4	Very high	93.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-53.3	-45.8	170.4	-64.7	0	0	0	0	111.6	Y103 F743 R744 K749 M750 W751 M866 I869	Y103-C747 HydrophobicContact CD1-CB 3.68Å; Y103-C747 HydrophobicContact CD2-CB 4.27Å; Y103-C747 HydrophobicContact CE1-CB 3.39Å; Y103-C747 HydrophobicContact CE2-CB 4.03Å; Y103-C747 HydrophobicContact CG-CB 4.11Å; F743-C747 PolarHBondContact O-N 3.03Å; F743-C747 PolarHBondContact O-SG 2.99Å; R744-C747 WeakPolarHBondContact O-CB 3.14Å; R744-C747 PolarHBondContact O-N 3.37Å; C747-K749 VanDerWaalsContact C-N 3.3Å; C747-K749 PolarHBondContact O-N 2.89Å; C747-M750 WeakPolarHBondContact O-CB 3.34Å; C747-M750 PolarHBondContact O-N 3.46Å; C747-W751 WeakPolarHBondContact O-CB 3.44Å; C747-W751 PolarHBondContact O-N 3.4Å; C747-M866 WeakPolarHBondContact SG-CE 3.01Å; C747-I869 HydrophobicContact CB-CD1 3.65Å; C747-I869 WeakPolarHBondContact O-CD1 3.24Å
748	N	96	Very high	93.9	Very high	51 Å²	51	26.4 Å²	26.4	27%	0.273	13%	0.13	S	C	.	.	H	α-helix	trans	-65.1	-32.9	175.1	-173.2	59.8	0	0	0	112.6	Y103 R744 N745 F746 W751 Q752	Y103-N748 HydrophobicContact CD1-CB 4.46Å; Y103-N748 PolarHBondContact N-OD1 2.97Å; R744-N748 PolarHBondContact O-N 3.35Å; N745-N748 PolarHBondContact O-N 3.12Å; F746-N748 VanDerWaalsContact C-N 3.28Å; F746-N748 PolarHBondContact O-N 3.07Å; N748-W751 WeakPolarHBondContact O-CB 3.3Å; N748-W751 PolarHBondContact O-N 3.02Å; N748-Q752 WeakPolarHBondContact O-CG 3.17Å; N748-Q752 PolarHBondContact O-N 3.04Å
749	K	95.7	Very high	94.2	Very high	41 Å²	41	27.3 Å²	27.3	18%	0.178	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-42.1	172.5	-175.3	69	178.9	-169.6	0	111.2	N745 F746 C747 W751 Q752 T753 L815 C819	N745-K749 PolarHBondContact O-N 3.41Å; F746-K749 CarbonylContact O-C 3.48Å; F746-K749 WeakPolarHBondContact O-CA 3.39Å; F746-K749 VanDerWaalsContact O-CB 3.26Å; F746-K749 WeakPolarHBondContact O-CB 3.44Å; F746-K749 PolarHBondContact O-N 2.67Å; C747-K749 VanDerWaalsContact C-N 3.3Å; C747-K749 PolarHBondContact O-N 2.89Å; K749-W751 VanDerWaalsContact C-N 3.32Å; K749-Q752 PolarHBondContact O-N 3.45Å; K749-T753 WeakPolarHBondContact O-CB 3.37Å; K749-T753 PolarHBondContact O-N 3.4Å; K749-T753 PolarHBondContact O-OG1 3.26Å; K749-L815 HydrophobicContact CG-CD1 4.18Å; K749-C819 WeakPolarHBondContact CE-SG 3.05Å
750	M	98.2	Very high	94.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-44.8	174.5	-62.9	179.7	74.8	0	0	111.2	F746 C747 Q752 T753 L754 W814 L859 F862 M866 I869 T870 L873	F746-M750 HydrophobicContact CD1-CG 4.46Å; F746-M750 HydrophobicContact CD1-SD 4.18Å; F746-M750 HydrophobicContact CE1-CG 4.05Å; F746-M750 HydrophobicContact CE1-SD 3.65Å; F746-M750 HydrophobicContact CE2-CG 4.45Å; F746-M750 HydrophobicContact CZ-CG 4.03Å; F746-M750 HydrophobicContact CZ-SD 4.12Å; F746-M750 PolarHBondContact O-N 3.08Å; C747-M750 WeakPolarHBondContact O-CB 3.34Å; C747-M750 PolarHBondContact O-N 3.46Å; M750-Q752 PolarHBondContact O-N 2.87Å; M750-T753 WeakPolarHBondContact O-CB 3.49Å; M750-T753 PolarHBondContact O-N 2.93Å; M750-T753 VanDerWaalsContact O-N 3.14Å; M750-L754 PolarHBondContact O-N 3.09Å; M750-W814 HydrophobicContact CB-CH2 4.42Å; M750-W814 HydrophobicContact CB-CZ2 3.7Å; M750-W814 HydrophobicContact CE-CE3 4.37Å; M750-W814 HydrophobicContact CE-CH2 4.08Å; M750-W814 HydrophobicContact CE-CZ2 4.32Å; M750-W814 HydrophobicContact CE-CZ3 4.12Å; M750-W814 HydrophobicContact CG-CD2 4.2Å; M750-W814 HydrophobicContact CG-CH2 4.5Å; M750-W814 HydrophobicContact CG-CZ2 3.81Å; M750-L859 HydrophobicContact CE-CD2 3.79Å; M750-F862 HydrophobicContact CE-CB 4.4Å; M750-F862 HydrophobicContact CE-CD2 3.89Å; M750-F862 HydrophobicContact CE-CE2 4.31Å; M750-F862 HydrophobicContact CE-CG 4.06Å; M750-M866 HydrophobicContact SD-CE 4.23Å; M750-M866 HydrophobicContact SD-SD 4.12Å; M750-I869 HydrophobicContact CB-CD1 4.26Å; M750-T870 HydrophobicContact CE-CG2 4.39Å; M750-L873 HydrophobicContact CB-CD1 3.96Å
751	W	97.2	Very high	93.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-55.5	-50.8	175.3	-171.2	-90.1	0	0	0	112.9	F99 P100 Y103 Y107 V108 C747 N748 K749 T753 L754 R755 E872 L873	F99-W751 AromaticContact CD2-CE2 3.75Å; F99-W751 AromaticContact CD2-CH2 3.87Å; F99-W751 HydrophobicContact CD2-CH2 3.87Å; F99-W751 AromaticContact CD2-CZ2 3.41Å; F99-W751 HydrophobicContact CD2-CZ2 3.41Å; F99-W751 VanDerWaalsContact CD2-CZ2 3.41Å; F99-W751 AromaticContact CE2-CD2 3.57Å; F99-W751 HydrophobicContact CE2-CD2 3.57Å; F99-W751 AromaticContact CE2-CE2 3.19Å; F99-W751 AromaticContact CE2-CE3 3.83Å; F99-W751 HydrophobicContact CE2-CE3 3.83Å; F99-W751 HydrophobicContact CE2-CG 4.34Å; F99-W751 AromaticContact CE2-CH2 3.45Å; F99-W751 HydrophobicContact CE2-CH2 3.45Å; F99-W751 VanDerWaalsContact CE2-CH2 3.45Å; F99-W751 AromaticContact CE2-CZ2 3.17Å; F99-W751 HydrophobicContact CE2-CZ2 3.17Å; F99-W751 AromaticContact CE2-CZ3 3.75Å; F99-W751 HydrophobicContact CE2-CZ3 3.75Å; F99-W751 AromaticContact CE2-NE1 3.71Å; F99-W751 HydrophobicContact CZ-CD2 4.06Å; F99-W751 HydrophobicContact CZ-CE3 4.38Å; F99-W751 HydrophobicContact CZ-CG 4.46Å; F99-W751 HydrophobicContact CZ-CZ2 4.35Å; P100-W751 HydrophobicContact CB-CZ2 3.85Å; P100-W751 HydrophobicContact CG-CH2 4.47Å; P100-W751 HydrophobicContact CG-CZ2 3.94Å; P100-W751 PolarHBondContact O-NE1 2.66Å; Y103-W751 HydrophobicContact CD2-CE3 4.12Å; Y107-W751 AromaticContact CD1-CH2 3.88Å; Y107-W751 HydrophobicContact CD1-CH2 3.88Å; Y107-W751 AromaticContact CE1-CH2 3.92Å; Y107-W751 HydrophobicContact CE1-CH2 3.92Å; V108-W751 HydrophobicContact CG2-CE3 4.2Å; V108-W751 HydrophobicContact CG2-CH2 4.09Å; V108-W751 HydrophobicContact CG2-CZ3 3.47Å; V108-W751 VanDerWaalsContact CG2-CZ3 3.47Å; C747-W751 WeakPolarHBondContact O-CB 3.44Å; C747-W751 PolarHBondContact O-N 3.4Å; N748-W751 WeakPolarHBondContact O-CB 3.3Å; N748-W751 PolarHBondContact O-N 3.02Å; K749-W751 VanDerWaalsContact C-N 3.32Å; W751-T753 VanDerWaalsContact C-N 3.28Å; W751-T753 PolarHBondContact O-N 3.47Å; W751-L754 PolarHBondContact O-N 3.44Å; W751-R755 WeakPolarHBondContact O-CG 3.35Å; W751-R755 PolarHBondContact O-N 2.64Å; W751-E872 HydrophobicContact CZ3-CG 3.96Å; W751-L873 HydrophobicContact CE3-CD2 3.83Å; W751-L873 HydrophobicContact CZ3-CD2 4.31Å
752	Q	96.1	Very high	92.7	Very high	51 Å²	51	27.1 Å²	27.1	24%	0.238	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-32.3	177.9	-64.2	-51.4	-40.2	0	0	112.9	S101 N748 K749 M750 R755 F756	S101-Q752 PolarHBondContact O-NE2 3.43Å; N748-Q752 WeakPolarHBondContact O-CG 3.17Å; N748-Q752 PolarHBondContact O-N 3.04Å; K749-Q752 PolarHBondContact O-N 3.45Å; M750-Q752 PolarHBondContact O-N 2.87Å; Q752-R755 PolarHBondContact O-N 3.21Å; Q752-F756 PolarHBondContact O-N 3.15Å
753	T	96.8	Very high	91.2	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-43.7	177.3	-57.6	0	0	0	0	110.7	K749 M750 W751 F756 T757 W814 L818 C819 L823 V855	K749-T753 WeakPolarHBondContact O-CB 3.37Å; K749-T753 PolarHBondContact O-N 3.4Å; K749-T753 PolarHBondContact O-OG1 3.26Å; M750-T753 WeakPolarHBondContact O-CB 3.49Å; M750-T753 PolarHBondContact O-N 2.93Å; M750-T753 VanDerWaalsContact O-N 3.14Å; W751-T753 VanDerWaalsContact C-N 3.28Å; W751-T753 PolarHBondContact O-N 3.47Å; T753-F756 PolarHBondContact O-N 2.94Å; T753-T757 WeakPolarHBondContact O-CB 3.21Å; T753-T757 PolarHBondContact O-N 2.97Å; T753-T757 PolarHBondContact O-OG1 3.07Å; T753-W814 HydrophobicContact CG2-CH2 4.38Å; T753-W814 HydrophobicContact CG2-CZ2 3.62Å; T753-W814 PolarHBondContact OG1-NE1 3Å; T753-L818 HydrophobicContact CG2-CD2 4.25Å; T753-C819 PolarHBondContact OG1-SG 3.06Å; T753-L823 HydrophobicContact CG2-CD1 3.98Å; T753-V855 HydrophobicContact CG2-CG2 4.24Å
754	L	95.9	Very high	89.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-45.2	173.8	-178.3	66.1	0	0	0	111.5	F99 M750 W751 F756 T757 L758 V855 L873 R876 L877	F99-L754 HydrophobicContact CE1-CB 4.25Å; F99-L754 HydrophobicContact CE1-CD2 3.86Å; F99-L754 HydrophobicContact CE1-CG 3.91Å; F99-L754 HydrophobicContact CZ-CB 4.21Å; F99-L754 HydrophobicContact CZ-CD2 3.75Å; F99-L754 HydrophobicContact CZ-CG 4.12Å; M750-L754 PolarHBondContact O-N 3.09Å; W751-L754 PolarHBondContact O-N 3.44Å; L754-F756 PolarHBondContact O-N 3.46Å; L754-T757 WeakPolarHBondContact O-CA 3.42Å; L754-T757 WeakPolarHBondContact O-CB 3.48Å; L754-T757 PolarHBondContact O-N 2.82Å; L754-L758 HydrophobicContact CD1-CD1 4.34Å; L754-L758 HydrophobicContact CD1-CD2 4.4Å; L754-L758 HydrophobicContact CD1-CG 4.01Å; L754-L758 HydrophobicContact CD2-CD1 4.21Å; L754-L758 HydrophobicContact CG-CD1 3.96Å; L754-L758 HydrophobicContact CG-CG 4.07Å; L754-L758 WeakPolarHBondContact O-CG 3.38Å; L754-L758 PolarHBondContact O-N 3.29Å; L754-V855 HydrophobicContact CD1-CG1 4.39Å; L754-L873 HydrophobicContact CB-CD2 3.87Å; L754-L873 HydrophobicContact CD2-CB 3.73Å; L754-L873 HydrophobicContact CD2-CD2 3.32Å; L754-L873 HydrophobicContact CD2-CG 4.06Å; L754-L873 WeakPolarHBondContact CD2-O 3.48Å; L754-L873 HydrophobicContact CG-CD2 4.19Å; L754-R876 HydrophobicContact CD2-CB 3.99Å; L754-L877 HydrophobicContact CD1-CD1 3.84Å; L754-L877 HydrophobicContact CD1-CD2 3.38Å; L754-L877 HydrophobicContact CD1-CG 3.48Å; L754-L877 VanDerWaalsContact CD1-CG 3.48Å
755	R	94.3	Very high	87.9	Confident	75 Å²	75	42.6 Å²	42.6	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-53.9	-44.2	177	-72.7	178.6	64.6	72.9	8.1	112	F99 P100 W751 Q752 G759	F99-R755 HydrophobicContact CD1-CB 4.43Å; F99-R755 HydrophobicContact CD1-CG 3.52Å; F99-R755 HydrophobicContact CE1-CB 4.06Å; F99-R755 HydrophobicContact CE1-CG 3.22Å; F99-R755 HydrophobicContact CE2-CG 4.29Å; F99-R755 HydrophobicContact CG-CG 4.16Å; F99-R755 HydrophobicContact CZ-CG 3.63Å; F99-R755 PolarHBondContact O-NH1 3.23Å; P100-R755 PolarHBondContact O-NH1 3Å; W751-R755 WeakPolarHBondContact O-CG 3.35Å; W751-R755 PolarHBondContact O-N 2.64Å; Q752-R755 PolarHBondContact O-N 3.21Å; R755-G759 PolarHBondContact O-N 3.04Å
756	F	93.8	Very high	86.6	Confident	40 Å²	40	43.4 Å²	43.4	18%	0.175	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-47.7	174.5	177.1	-94.7	0	0	0	111.3	Q752 T753 L754 L758 G759 V760 L823 K827 L830 L851	Q752-F756 PolarHBondContact O-N 3.15Å; T753-F756 PolarHBondContact O-N 2.94Å; L754-F756 PolarHBondContact O-N 3.46Å; F756-L758 PolarHBondContact O-N 3.17Å; F756-G759 PolarHBondContact O-N 2.93Å; F756-V760 HydrophobicContact CD1-CG2 4.12Å; F756-V760 HydrophobicContact CE1-CG2 3.68Å; F756-V760 HydrophobicContact CE2-CG2 4.14Å; F756-V760 HydrophobicContact CZ-CG2 3.7Å; F756-V760 VanDerWaalsContact O-CG2 3.32Å; F756-V760 WeakPolarHBondContact O-CG2 3.34Å; F756-V760 PolarHBondContact O-N 2.83Å; F756-L823 HydrophobicContact CD1-CD1 4.45Å; F756-L823 HydrophobicContact CD1-CD2 3.73Å; F756-L823 HydrophobicContact CE1-CD2 3.65Å; F756-K827 HydrophobicContact CE2-CG 3.85Å; F756-K827 HydrophobicContact CZ-CG 3.79Å; F756-L830 HydrophobicContact CE1-CD1 4.41Å; F756-L830 HydrophobicContact CZ-CD1 4.09Å; F756-L851 HydrophobicContact CD1-CD2 4.16Å; F756-L851 HydrophobicContact CE1-CD2 3.92Å
757	T	93.3	Very high	85.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-47.3	-178.6	-56.3	0	0	0	0	112.1	T753 L754 G759 V760 V761 L851 V855	T753-T757 WeakPolarHBondContact O-CB 3.21Å; T753-T757 PolarHBondContact O-N 2.97Å; T753-T757 PolarHBondContact O-OG1 3.07Å; L754-T757 WeakPolarHBondContact O-CA 3.42Å; L754-T757 WeakPolarHBondContact O-CB 3.48Å; L754-T757 PolarHBondContact O-N 2.82Å; T757-G759 VanDerWaalsContact C-N 3.32Å; T757-G759 PolarHBondContact O-N 3.46Å; T757-V760 WeakPolarHBondContact O-CB 3.42Å; T757-V760 PolarHBondContact O-N 3.24Å; T757-V761 HydrophobicContact CG2-CG2 4.38Å; T757-V761 WeakPolarHBondContact O-CG2 3.34Å; T757-V761 PolarHBondContact O-N 2.89Å; T757-L851 HydrophobicContact CG2-CD2 4.29Å; T757-L851 HydrophobicContact CG2-CG 4.03Å; T757-V855 HydrophobicContact CG2-CG2 4.34Å
758	L	91.2	Very high	85.1	Confident	34 Å²	34	44.9 Å²	44.9	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-40.7	175.9	-67.9	176.9	0	0	0	112	F99 L754 F756 V760 V761 G762 R876 L877 F880	F99-L758 HydrophobicContact CD1-CD1 3.78Å; F99-L758 HydrophobicContact CE1-CD1 3.75Å; L754-L758 HydrophobicContact CD1-CD1 4.34Å; L754-L758 HydrophobicContact CD1-CD2 4.4Å; L754-L758 HydrophobicContact CD1-CG 4.01Å; L754-L758 HydrophobicContact CD2-CD1 4.21Å; L754-L758 HydrophobicContact CG-CD1 3.96Å; L754-L758 HydrophobicContact CG-CG 4.07Å; L754-L758 WeakPolarHBondContact O-CG 3.38Å; L754-L758 PolarHBondContact O-N 3.29Å; F756-L758 PolarHBondContact O-N 3.17Å; L758-V760 PolarHBondContact O-N 2.86Å; L758-V761 PolarHBondContact O-N 3.44Å; L758-G762 PolarHBondContact O-N 3.4Å; L758-R876 HydrophobicContact CD1-CB 4.44Å; L758-L877 HydrophobicContact CD2-CD2 3.94Å; L758-F880 HydrophobicContact CD2-CD2 3.99Å; L758-F880 HydrophobicContact CD2-CE2 3.51Å; L758-F880 HydrophobicContact CD2-CZ 4.33Å
759	G	89.6	Confident	84.6	Confident	67 Å²	67	44.4 Å²	44.4	69%	0.691	26%	0.262	S	S	*	.	H	α-helix	trans	-65.3	-21.8	174.7	0	0	0	0	0	114	R755 F756 T757	R755-G759 PolarHBondContact O-N 3.04Å; F756-G759 PolarHBondContact O-N 2.93Å; T757-G759 VanDerWaalsContact C-N 3.32Å; T757-G759 PolarHBondContact O-N 3.46Å
760	V	86.8	Confident	84.2	Confident	15 Å²	15	43.6 Å²	43.6	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-88.4	-38.5	179.3	165.2	0	0	0	0	112.3	F756 T757 L758 G762 L830 R848 L851	F756-V760 HydrophobicContact CD1-CG2 4.12Å; F756-V760 HydrophobicContact CE1-CG2 3.68Å; F756-V760 HydrophobicContact CE2-CG2 4.14Å; F756-V760 HydrophobicContact CZ-CG2 3.7Å; F756-V760 VanDerWaalsContact O-CG2 3.32Å; F756-V760 WeakPolarHBondContact O-CG2 3.34Å; F756-V760 PolarHBondContact O-N 2.83Å; T757-V760 WeakPolarHBondContact O-CB 3.42Å; T757-V760 PolarHBondContact O-N 3.24Å; L758-V760 PolarHBondContact O-N 2.86Å; V760-G762 VanDerWaalsContact C-N 3.29Å; V760-L830 HydrophobicContact CB-CD1 4.35Å; V760-L830 HydrophobicContact CG1-CD1 3.67Å; V760-L830 HydrophobicContact CG1-CD2 3.9Å; V760-L830 HydrophobicContact CG1-CG 4.41Å; V760-L830 HydrophobicContact CG2-CD1 3.67Å; V760-R848 HydrophobicContact CG1-CG 3.63Å; V760-R848 PolarHBondContact O-NE 3.4Å; V760-L851 HydrophobicContact CB-CD2 4.45Å; V760-L851 HydrophobicContact CG1-CD2 4.19Å
761	V	82.6	Confident	83.6	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-70.3	-27.4	177.5	178.1	0	0	0	0	111.4	T757 L758 V767 Y852 F880	T757-V761 HydrophobicContact CG2-CG2 4.38Å; T757-V761 WeakPolarHBondContact O-CG2 3.34Å; T757-V761 PolarHBondContact O-N 2.89Å; L758-V761 PolarHBondContact O-N 3.44Å; V761-V767 HydrophobicContact CG1-CG2 4.09Å; V761-Y852 HydrophobicContact CG2-CD2 4.46Å; V761-F880 HydrophobicContact CG1-CB 4.19Å; V761-F880 HydrophobicContact CG1-CD1 3.44Å; V761-F880 VanDerWaalsContact CG1-CD1 3.44Å; V761-F880 HydrophobicContact CG1-CE1 3.99Å; V761-F880 HydrophobicContact CG1-CG 3.86Å
762	G	68.9	Low	83	Confident	33 Å²	33	57 Å²	57	34%	0.34	32%	0.322	S	S	.	.			trans	77.1	-172	176.6	0	0	0	0	0	112.8	L758 V760 F880	L758-G762 PolarHBondContact O-N 3.4Å; V760-G762 VanDerWaalsContact C-N 3.29Å; G762-F880 WeakPolarHBondContact O-CE1 3.35Å
763	E	60.9	Low	82.6	Confident	178 Å²	178	55.1 Å²	55.1	83%	0.832	31%	0.314	S	S	*	.	S	Bend	trans	-84.6	128.4	178.4	-66.9	-177.7	177.1	0	0	110.8	T765	E763-T765 VanDerWaalsContact C-N 3.35Å; E763-T765 PolarHBondContact O-N 2.9Å; E763-T765 VanDerWaalsContact O-N 3.13Å
764	N	56.2	Low	82	Confident	143 Å²	143	59 Å²	59	77%	0.765	34%	0.338	S	S	*	.	S	Bend	trans	57.2	25	164.5	-61.5	-21.9	0	0	0	118.6	P766	N764-P766 WeakPolarHBondContact O-CD 3.26Å
765	T	64.1	Low	81.6	Confident	71 Å²	71	59 Å²	59	44%	0.436	34%	0.338	S	S	.	.			trans	-98.8	111.7	170.7	-52	0	0	0	0	110	E763 V767	E763-T765 VanDerWaalsContact C-N 3.35Å; E763-T765 PolarHBondContact O-N 2.9Å; E763-T765 VanDerWaalsContact O-N 3.13Å; T765-V767 PolarHBondContact O-N 3.47Å
766	P	67.8	Low	81.2	Confident	93 Å²	93	61.3 Å²	61.3	60%	0.604	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-61.2	136.2	176.9	-20.4	32.2	0	0	0	110.9	N764	N764-P766 WeakPolarHBondContact O-CD 3.26Å
767	V	81.6	Confident	80.9	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.042	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-80.3	144.6	173	-177.7	0	0	0	0	108.9	V761 T765 T849 Y852 F880 P882	V761-V767 HydrophobicContact CG1-CG2 4.09Å; T765-V767 PolarHBondContact O-N 3.47Å; V767-T849 HydrophobicContact CG1-CG2 3.63Å; V767-Y852 HydrophobicContact CB-CD1 4.03Å; V767-Y852 HydrophobicContact CB-CE1 4.39Å; V767-Y852 HydrophobicContact CB-CG 4.22Å; V767-Y852 HydrophobicContact CG1-CD1 3.8Å; V767-Y852 HydrophobicContact CG1-CG 4.08Å; V767-Y852 HydrophobicContact CG2-CD1 4.13Å; V767-Y852 HydrophobicContact CG2-CD2 4.01Å; V767-Y852 HydrophobicContact CG2-CG 3.8Å; V767-F880 HydrophobicContact CG2-CB 4.47Å; V767-F880 PolarHBondContact N-O 3.29Å; V767-P882 WeakPolarHBondContact O-CB 3.48Å; V767-P882 WeakPolarHBondContact O-CD 3.35Å; V767-P882 VanDerWaalsContact O-CG 3.24Å; V767-P882 WeakPolarHBondContact O-CG 3.49Å
768	G	81.3	Confident	80.8	Confident	31 Å²	31	63.1 Å²	63.1	32%	0.32	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.7	161.7	175.1	0	0	0	0	0	112.6	H853	G768-H853 PolarHBondContact O-CE1 3.19Å; G768-H853 PolarHBondContact O-NE2 3.15Å
769	T	85.4	Confident	81	Confident	40 Å²	40	62.5 Å²	62.5	25%	0.245	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-66.9	160.2	179.8	66.9	0	0	0	0	111.7	E771 E772 T773 P882	T769-E771 VanDerWaalsContact C-N 3.31Å; T769-E771 PolarHBondContact O-N 3.02Å; T769-E772 PolarHBondContact N-OE2 3.26Å; T769-E772 PolarHBondContact O-N 3Å; T769-E772 WeakPolarHBondContact OG1-CB 3.22Å; T769-E772 WeakPolarHBondContact OG1-CG 3.25Å; T769-E772 PolarHBondContact OG1-N 3.36Å; T769-E772 PolarHBondContact OG1-OE2 2.82Å; T769-T773 PolarHBondContact O-N 3.5Å; T769-T773 PolarHBondContact O-OG1 3.23Å; T769-P882 HydrophobicContact CG2-CB 4.14Å; T769-P882 HydrophobicContact CG2-CG 4.17Å
770	L	86.9	Confident	81.2	Confident	25 Å²	25	59.9 Å²	59.9	13%	0.131	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-38	-178.6	178	63.5	0	0	0	111.2	T773 H853 L857 L901 H903 W904	L770-T773 PolarHBondContact O-N 3.39Å; L770-H853 HydrophobicContact CD1-CB 4.13Å; L770-L857 HydrophobicContact CD1-CD1 3.95Å; L770-L857 HydrophobicContact CD2-CD1 4.21Å; L770-L857 HydrophobicContact CD2-CD2 4.19Å; L770-L901 HydrophobicContact CD1-CD2 4.12Å; L770-L901 HydrophobicContact CD2-CD2 3.91Å; L770-L901 HydrophobicContact CG-CD2 4.34Å; L770-H903 PolarHBondContact O-NE2 3.01Å; L770-H903 VanDerWaalsContact O-NE2 3.17Å; L770-W904 HydrophobicContact CD1-CH2 3.42Å; L770-W904 VanDerWaalsContact CD1-CH2 3.42Å; L770-W904 HydrophobicContact CD1-CZ2 3.55Å; L770-W904 HydrophobicContact CD1-CZ3 4.03Å
771	E	86	Confident	81.6	Confident	136 Å²	136	62.8 Å²	62.8	64%	0.636	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.8	-179.5	-62.8	74.3	-165.2	0	0	111.7	T769 T773	T769-E771 VanDerWaalsContact C-N 3.31Å; T769-E771 PolarHBondContact O-N 3.02Å; E771-T773 VanDerWaalsContact C-N 3.33Å
772	E	84.3	Confident	82.3	Confident	145 Å²	145	62.6 Å²	62.6	68%	0.678	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-15.6	177.4	-67.7	163.3	160.4	0	0	112.7	T769 T774	T769-E772 PolarHBondContact N-OE2 3.26Å; T769-E772 PolarHBondContact O-N 3Å; T769-E772 WeakPolarHBondContact OG1-CB 3.22Å; T769-E772 WeakPolarHBondContact OG1-CG 3.25Å; T769-E772 PolarHBondContact OG1-N 3.36Å; T769-E772 PolarHBondContact OG1-OE2 2.82Å; E772-T774 PolarHBondContact O-N 2.88Å; E772-T774 VanDerWaalsContact O-N 3.1Å
773	T	87	Confident	83.6	Confident	12 Å²	12	61 Å²	61	7%	0.074	33%	0.326	C	S	.	.			trans	-78.4	100.2	-177.1	-59.1	0	0	0	0	110.4	T769 L770 E771 T849 V850 H853 W904	T769-T773 PolarHBondContact O-N 3.5Å; T769-T773 PolarHBondContact O-OG1 3.23Å; L770-T773 PolarHBondContact O-N 3.39Å; E771-T773 VanDerWaalsContact C-N 3.33Å; T773-T849 HydrophobicContact CG2-CG2 3.7Å; T773-T849 WeakPolarHBondContact OG1-CG2 3.04Å; T773-V850 HydrophobicContact CG2-CG2 4.08Å; T773-H853 PolarHBondContact OG1-NE2 3.18Å; T773-W904 HydrophobicContact CG2-CZ2 3.76Å; T773-W904 PolarHBondContact O-NE1 2.96Å
774	T	85.3	Confident	85.4	Confident	84 Å²	84	52.5 Å²	52.5	52%	0.515	29%	0.286	S	S	.	.			trans	-116.3	109.8	173	-57	0	0	0	0	110.3	E772	E772-T774 PolarHBondContact O-N 2.88Å; E772-T774 VanDerWaalsContact O-N 3.1Å
775	P	87.2	Confident	87.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.			trans	-70.6	133.4	-178.9	28.4	-34.2	0	0	0	111.8	E780 R781 C784 E846 V850 F906	P775-E780 HydrophobicContact CB-CB 3.57Å; P775-R781 HydrophobicContact CB-CG 3.99Å; P775-R781 HydrophobicContact CG-CB 4.49Å; P775-R781 HydrophobicContact CG-CG 3.84Å; P775-R781 WeakPolarHBondContact O-CG 3.18Å; P775-R781 PolarHBondContact O-NE 3.06Å; P775-C784 HydrophobicContact CG-CB 4.25Å; P775-E846 WeakPolarHBondContact CA-OE1 3.39Å; P775-V850 HydrophobicContact CB-CG2 4.37Å; P775-F906 HydrophobicContact CG-CE2 3.84Å; P775-F906 HydrophobicContact CG-CZ 4.15Å
776	L	84.7	Confident	89	Confident	125 Å²	125	45 Å²	45	65%	0.654	24%	0.239	S	C	*	.			trans	-94.9	-36.7	176.1	-63.5	179.2	0	0	0	111.2	E846	L776-E846 PolarHBondContact N-OE1 3.25Å
777	N	88.4	Confident	90.4	Very high	58 Å²	58	40.6 Å²	40.6	31%	0.31	21%	0.21	S	C	.	.	S	Bend	trans	-80.4	142.5	-176.7	-74.8	-66.2	0	0	0	111.9	M779 E780 R781 E846	N777-M779 VanDerWaalsContact C-N 3.3Å; N777-M779 PolarHBondContact O-N 2.92Å; N777-E780 HydrophobicContact CB-CB 4.44Å; N777-E780 HydrophobicContact CB-CG 4.49Å; N777-E780 WeakPolarHBondContact CB-OE2 3.33Å; N777-E780 PolarHBondContact O-N 3.13Å; N777-R781 WeakPolarHBondContact O-CG 3.26Å; N777-R781 PolarHBondContact O-N 2.72Å; N777-E846 PolarHBondContact N-OE1 3.28Å; N777-E846 VanDerWaalsContact N-OE1 3.13Å; N777-E846 PolarHBondContact ND2-OE2 3.43Å
778	S	91.6	Very high	91.2	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-31.2	-175.6	-70.7	0	0	0	0	113.6	W782 E909 F954	S778-W782 VanDerWaalsContact O-CB 3.24Å; S778-W782 WeakPolarHBondContact O-CB 3.48Å; S778-W782 PolarHBondContact O-N 2.83Å; S778-E909 PolarHBondContact OG-OE1 2.91Å; S778-F954 WeakPolarHBondContact O-CE1 3.18Å
779	M	93.8	Very high	92	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-42.1	176.6	-79.3	-57.1	-61.5	0	0	112.6	N777 W782 I783 V821 F913 F954 A957	N777-M779 VanDerWaalsContact C-N 3.3Å; N777-M779 PolarHBondContact O-N 2.92Å; M779-W782 HydrophobicContact CE-CE3 3.99Å; M779-W782 HydrophobicContact CE-CZ3 4.26Å; M779-W782 PolarHBondContact O-N 3.12Å; M779-I783 PolarHBondContact O-N 3.02Å; M779-V821 HydrophobicContact CE-CG1 4.24Å; M779-F913 HydrophobicContact CE-CE2 3.96Å; M779-F913 HydrophobicContact CE-CZ 4.17Å; M779-F913 HydrophobicContact SD-CD2 4.23Å; M779-F913 HydrophobicContact SD-CE2 3.5Å; M779-F913 WeakPolarHBondContact SD-CE2 3.12Å; M779-F913 HydrophobicContact SD-CZ 4.29Å; M779-F954 HydrophobicContact CG-CD1 4.01Å; M779-F954 HydrophobicContact CG-CE1 4.37Å; M779-F954 HydrophobicContact SD-CD1 3.41Å; M779-F954 WeakPolarHBondContact SD-CD1 3.34Å; M779-F954 HydrophobicContact SD-CE1 3.75Å; M779-A957 HydrophobicContact CE-CB 3.94Å; M779-A957 HydrophobicContact CG-CB 3.97Å; M779-A957 HydrophobicContact SD-CB 3.4Å; M779-A957 WeakPolarHBondContact SD-CB 3.24Å
780	E	94.1	Very high	92.7	Very high	11 Å²	11	40 Å²	40	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-44.6	176.3	-75.3	63.2	-150.9	0	0	110.3	P775 N777 W782 I783 C784 Y822 E846 V850	P775-E780 HydrophobicContact CB-CB 3.57Å; N777-E780 HydrophobicContact CB-CB 4.44Å; N777-E780 HydrophobicContact CB-CG 4.49Å; N777-E780 WeakPolarHBondContact CB-OE2 3.33Å; N777-E780 PolarHBondContact O-N 3.13Å; E780-W782 VanDerWaalsContact C-N 3.33Å; E780-W782 PolarHBondContact O-N 3.47Å; E780-I783 VanDerWaalsContact O-CG2 3.25Å; E780-I783 WeakPolarHBondContact O-CG2 3.41Å; E780-I783 PolarHBondContact O-N 3.32Å; E780-C784 WeakPolarHBondContact O-CB 3.47Å; E780-C784 PolarHBondContact O-N 3.35Å; E780-C784 PolarHBondContact O-SG 3.39Å; E780-C784 VanDerWaalsContact O-SG 3.32Å; E780-Y822 HydrophobicContact CG-CE2 4.37Å; E780-E846 HydrophobicContact CG-CG 4.27Å; E780-V850 HydrophobicContact CB-CG1 4.47Å; E780-V850 HydrophobicContact CB-CG2 4.21Å; E780-V850 HydrophobicContact CG-CB 4.4Å; E780-V850 HydrophobicContact CG-CG1 4.48Å; E780-V850 HydrophobicContact CG-CG2 4.21Å
781	R	95.5	Very high	93.2	Very high	77 Å²	77	38.9 Å²	38.9	29%	0.291	19%	0.191	S	C	.	.	H	α-helix	trans	-58	-45.1	171.7	-73.3	178.6	176.6	-175.5	-0.1	112.1	P775 N777 C784 S785 F906 E909	P775-R781 HydrophobicContact CB-CG 3.99Å; P775-R781 HydrophobicContact CG-CB 4.49Å; P775-R781 HydrophobicContact CG-CG 3.84Å; P775-R781 WeakPolarHBondContact O-CG 3.18Å; P775-R781 PolarHBondContact O-NE 3.06Å; N777-R781 WeakPolarHBondContact O-CG 3.26Å; N777-R781 PolarHBondContact O-N 2.72Å; R781-C784 PolarHBondContact O-N 3.43Å; R781-S785 WeakPolarHBondContact O-CB 3.45Å; R781-S785 PolarHBondContact O-N 2.96Å; R781-F906 HydrophobicContact CB-CB 4.44Å; R781-F906 HydrophobicContact CB-CD1 4.49Å; R781-F906 HydrophobicContact CB-CD2 3.7Å; R781-F906 HydrophobicContact CB-CE2 4Å; R781-F906 HydrophobicContact CB-CG 3.97Å; R781-F906 HydrophobicContact CG-CD1 4.34Å; R781-F906 HydrophobicContact CG-CD2 4.03Å; R781-F906 HydrophobicContact CG-CE1 4.2Å; R781-F906 HydrophobicContact CG-CE2 3.86Å; R781-F906 HydrophobicContact CG-CG 4.26Å; R781-F906 HydrophobicContact CG-CZ 3.96Å; R781-F906 VanDerWaalsContact O-CD2 3.3Å; R781-F906 WeakPolarHBondContact O-CD2 3.34Å; R781-E909 HydrophobicContact CB-CG 4.07Å
782	W	97.1	Very high	93.8	Very high	4 Å²	4	34 Å²	34	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-50.4	178.6	170.4	77.5	0	0	0	111.8	S778 M779 E780 C784 S785 R786 N817 V821 E909 F913 F954	S778-W782 VanDerWaalsContact O-CB 3.24Å; S778-W782 WeakPolarHBondContact O-CB 3.48Å; S778-W782 PolarHBondContact O-N 2.83Å; M779-W782 HydrophobicContact CE-CE3 3.99Å; M779-W782 HydrophobicContact CE-CZ3 4.26Å; M779-W782 PolarHBondContact O-N 3.12Å; E780-W782 VanDerWaalsContact C-N 3.33Å; E780-W782 PolarHBondContact O-N 3.47Å; W782-C784 PolarHBondContact O-N 2.98Å; W782-S785 PolarHBondContact O-N 3.39Å; W782-R786 HydrophobicContact CD2-CG 4.21Å; W782-R786 HydrophobicContact CZ2-CG 3.87Å; W782-R786 WeakPolarHBondContact O-CG 3.38Å; W782-R786 PolarHBondContact O-N 2.86Å; W782-N817 HydrophobicContact CH2-CB 4.01Å; W782-N817 HydrophobicContact CZ2-CB 4.44Å; W782-V821 HydrophobicContact CE3-CG1 4.45Å; W782-V821 HydrophobicContact CH2-CB 3.76Å; W782-V821 HydrophobicContact CH2-CG1 3.36Å; W782-V821 HydrophobicContact CH2-CG2 4.42Å; W782-V821 HydrophobicContact CZ2-CG1 4.27Å; W782-V821 HydrophobicContact CZ3-CB 4.12Å; W782-V821 HydrophobicContact CZ3-CG1 3.48Å; W782-V821 VanDerWaalsContact CZ3-CG1 3.48Å; W782-E909 HydrophobicContact CB-CB 4.49Å; W782-F913 AromaticContact CD1-CD1 3.94Å; W782-F913 AromaticContact CD1-CG 3.54Å; W782-F913 AromaticContact CD2-CD1 4Å; W782-F913 HydrophobicContact CD2-CD1 4Å; W782-F913 HydrophobicContact CD2-CD2 4.22Å; W782-F913 HydrophobicContact CD2-CE1 4.2Å; W782-F913 HydrophobicContact CD2-CE2 4.43Å; W782-F913 HydrophobicContact CD2-CG 4.01Å; W782-F913 HydrophobicContact CD2-CZ 4.42Å; W782-F913 AromaticContact CE2-CD1 3.29Å; W782-F913 AromaticContact CE2-CE1 3.63Å; W782-F913 AromaticContact CE2-CG 3.68Å; W782-F913 HydrophobicContact CE3-CZ 4.5Å; W782-F913 HydrophobicContact CG-CB 4.12Å; W782-F913 HydrophobicContact CG-CD1 4.37Å; W782-F913 HydrophobicContact CG-CD2 4.13Å; W782-F913 AromaticContact CG-CG 3.94Å; W782-F913 HydrophobicContact CG-CG 3.94Å; W782-F913 HydrophobicContact CH2-CD1 4.38Å; W782-F913 AromaticContact CH2-CE1 3.9Å; W782-F913 HydrophobicContact CH2-CE1 3.9Å; W782-F913 HydrophobicContact CH2-CZ 4.38Å; W782-F913 AromaticContact CZ2-CD1 3.52Å; W782-F913 HydrophobicContact CZ2-CD1 3.52Å; W782-F913 AromaticContact CZ2-CE1 3.47Å; W782-F913 HydrophobicContact CZ2-CE1 3.47Å; W782-F913 VanDerWaalsContact CZ2-CE1 3.47Å; W782-F913 HydrophobicContact CZ2-CG 4.35Å; W782-F913 HydrophobicContact CZ2-CZ 4.28Å; W782-F913 HydrophobicContact CZ3-CE1 4.41Å; W782-F913 HydrophobicContact CZ3-CZ 4.48Å; W782-F913 AromaticContact NE1-CD1 3.25Å; W782-F913 VanDerWaalsContact NE1-CD1 3.25Å; W782-F913 AromaticContact NE1-CG 3.36Å; W782-F954 HydrophobicContact CB-CE1 4.23Å; W782-F954 HydrophobicContact CB-CZ 4.43Å
783	I	97.5	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-36.9	-178.5	-169.7	62.1	0	0	0	112.1	M779 E780 R786 L787 F813 N817 Y822 V850	M779-I783 PolarHBondContact O-N 3.02Å; E780-I783 VanDerWaalsContact O-CG2 3.25Å; E780-I783 WeakPolarHBondContact O-CG2 3.41Å; E780-I783 PolarHBondContact O-N 3.32Å; I783-R786 PolarHBondContact O-N 3.11Å; I783-L787 PolarHBondContact O-N 3.4Å; I783-F813 HydrophobicContact CD1-CE2 3.68Å; I783-F813 HydrophobicContact CD1-CZ 3.91Å; I783-F813 HydrophobicContact CG1-CE2 4.41Å; I783-F813 HydrophobicContact CG1-CZ 4.34Å; I783-N817 HydrophobicContact CD1-CB 4.01Å; I783-Y822 HydrophobicContact CB-CD2 3.84Å; I783-Y822 HydrophobicContact CB-CE2 4.28Å; I783-Y822 HydrophobicContact CB-CG 4.01Å; I783-Y822 HydrophobicContact CD1-CG 4.47Å; I783-Y822 HydrophobicContact CG1-CD1 4.18Å; I783-Y822 HydrophobicContact CG1-CD2 4.28Å; I783-Y822 HydrophobicContact CG1-CG 3.92Å; I783-Y822 HydrophobicContact CG2-CD1 4.33Å; I783-Y822 HydrophobicContact CG2-CD2 3.62Å; I783-Y822 HydrophobicContact CG2-CE1 4.23Å; I783-Y822 HydrophobicContact CG2-CE2 3.53Å; I783-Y822 HydrophobicContact CG2-CG 4.04Å; I783-V850 HydrophobicContact CG2-CG1 3.67Å
784	C	97.7	Very high	95	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-45.9	173.3	-78.3	0	0	0	0	111.3	P775 E780 R781 W782 L787 Y788 W904 F906	P775-C784 HydrophobicContact CG-CB 4.25Å; E780-C784 WeakPolarHBondContact O-CB 3.47Å; E780-C784 PolarHBondContact O-N 3.35Å; E780-C784 PolarHBondContact O-SG 3.39Å; E780-C784 VanDerWaalsContact O-SG 3.32Å; R781-C784 PolarHBondContact O-N 3.43Å; W782-C784 PolarHBondContact O-N 2.98Å; C784-L787 WeakPolarHBondContact O-CB 3.37Å; C784-L787 PolarHBondContact O-N 3.07Å; C784-Y788 PolarHBondContact O-N 3.39Å; C784-W904 CarbonylContact C-O 3.33Å; C784-W904 HydrophobicContact CB-CB 3.84Å; C784-W904 HydrophobicContact CB-CD2 3.7Å; C784-W904 HydrophobicContact CB-CE3 3.83Å; C784-W904 HydrophobicContact CB-CG 3.71Å; C784-W904 VanDerWaalsContact SG-CD2 3.52Å; C784-F906 HydrophobicContact CB-CE2 4.46Å
785	S	97.9	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-41.7	176.1	-165.3	0	0	0	0	111.9	R781 W782 L787 Y788 S789 W904 F906 E910	R781-S785 WeakPolarHBondContact O-CB 3.45Å; R781-S785 PolarHBondContact O-N 2.96Å; W782-S785 PolarHBondContact O-N 3.39Å; S785-L787 VanDerWaalsContact C-N 3.27Å; S785-L787 PolarHBondContact O-N 3.17Å; S785-Y788 WeakPolarHBondContact O-CB 3.25Å; S785-Y788 PolarHBondContact O-N 3.46Å; S785-S789 WeakPolarHBondContact O-CB 3.44Å; S785-S789 PolarHBondContact O-N 2.89Å; S785-S789 PolarHBondContact O-OG 3.49Å; S785-W904 WeakPolarHBondContact CA-O 3.36Å; S785-W904 WeakPolarHBondContact CB-O 3.37Å; S785-W904 PolarHBondContact N-O 2.96Å; S785-W904 VanDerWaalsContact N-O 3.11Å; S785-F906 PolarHBondContact OG-N 2.84Å; S785-F906 PolarHBondContact OG-O 3.41Å; S785-E910 VanDerWaalsContact CB-OE1 3.31Å; S785-E910 WeakPolarHBondContact CB-OE1 3.45Å; S785-E910 WeakPolarHBondContact OG-CG 3.39Å; S785-E910 PolarHBondContact OG-OE1 3.43Å
786	R	98.1	Very high	96.1	Very high	56 Å²	56	33.7 Å²	33.7	21%	0.211	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-37	174.5	-69.9	-51	-55.9	163.3	1.9	112.5	W782 I783 T790 F813 N817 E910	W782-R786 HydrophobicContact CD2-CG 4.21Å; W782-R786 HydrophobicContact CZ2-CG 3.87Å; W782-R786 WeakPolarHBondContact O-CG 3.38Å; W782-R786 PolarHBondContact O-N 2.86Å; I783-R786 PolarHBondContact O-N 3.11Å; R786-T790 WeakPolarHBondContact O-CB 3.25Å; R786-T790 PolarHBondContact O-N 2.94Å; R786-T790 PolarHBondContact O-OG1 2.94Å; R786-F813 HydrophobicContact CB-CD2 4.24Å; R786-F813 HydrophobicContact CB-CE2 4.07Å; R786-N817 HydrophobicContact CB-CB 4.47Å; R786-N817 PolarHBondContact NE-OD1 2.83Å; R786-E910 WeakPolarHBondContact CD-OE2 3.3Å; R786-E910 IonicContact CZ-OE2 3.23Å; R786-E910 PolarHBondContact N-OE1 3.45Å; R786-E910 IonicContact NE-OE2 2.64Å; R786-E910 IonicContact NH1-OE2 3.74Å; R786-E910 PolarHBondContact NH1-OE2 3.1Å
787	L	98.3	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-48.1	174.5	-178.9	62.2	0	0	0	110.9	I783 C784 S785 S789 T790 V791 F813 L857 L861 L901 W904	I783-L787 PolarHBondContact O-N 3.4Å; C784-L787 WeakPolarHBondContact O-CB 3.37Å; C784-L787 PolarHBondContact O-N 3.07Å; S785-L787 VanDerWaalsContact C-N 3.27Å; S785-L787 PolarHBondContact O-N 3.17Å; L787-S789 VanDerWaalsContact C-N 3.33Å; L787-S789 PolarHBondContact O-N 3.18Å; L787-T790 WeakPolarHBondContact O-CA 3.42Å; L787-T790 WeakPolarHBondContact O-CB 3.42Å; L787-T790 PolarHBondContact O-N 2.91Å; L787-V791 WeakPolarHBondContact O-CG2 3.48Å; L787-V791 PolarHBondContact O-N 3.46Å; L787-F813 HydrophobicContact CB-CE2 3.68Å; L787-F813 HydrophobicContact CB-CZ 3.7Å; L787-F813 HydrophobicContact CD1-CD1 4.24Å; L787-F813 HydrophobicContact CD1-CE1 3.77Å; L787-F813 HydrophobicContact CD1-CE2 4.19Å; L787-F813 HydrophobicContact CD1-CZ 3.73Å; L787-F813 HydrophobicContact CG-CZ 4.2Å; L787-L857 HydrophobicContact CD2-CB 4.14Å; L787-L857 HydrophobicContact CD2-CD1 3.76Å; L787-L861 HydrophobicContact CD1-CD1 4.1Å; L787-L901 HydrophobicContact CG-CD1 4.48Å; L787-W904 HydrophobicContact CD2-CE3 4.33Å; L787-W904 HydrophobicContact CD2-CZ3 3.89Å
788	Y	98.2	Very high	97.2	Very high	45 Å²	45	25.2 Å²	25.2	18%	0.176	12%	0.118	C	C	.	.	H	α-helix	trans	-52.1	-51.4	174.4	170.6	-90.3	0	0	0	111.5	C784 S785 T790 V791 V792 S898 L901 Y905	C784-Y788 PolarHBondContact O-N 3.39Å; S785-Y788 WeakPolarHBondContact O-CB 3.25Å; S785-Y788 PolarHBondContact O-N 3.46Å; Y788-T790 PolarHBondContact O-N 3.19Å; Y788-V791 WeakPolarHBondContact O-CB 3.49Å; Y788-V791 PolarHBondContact O-N 2.84Å; Y788-V791 VanDerWaalsContact O-N 3.08Å; Y788-V792 HydrophobicContact CD1-CG2 4.29Å; Y788-V792 HydrophobicContact CE1-CG2 3.8Å; Y788-V792 HydrophobicContact CE2-CG2 4.34Å; Y788-V792 WeakPolarHBondContact O-CG2 3.25Å; Y788-V792 PolarHBondContact O-N 3.26Å; Y788-S898 WeakPolarHBondContact CE2-O 3.47Å; Y788-L901 HydrophobicContact CD2-CB 3.89Å; Y788-L901 VanDerWaalsContact CD2-O 3.23Å; Y788-L901 WeakPolarHBondContact CD2-O 3.37Å; Y788-Y905 AromaticContact CD1-CD2 3.34Å; Y788-Y905 HydrophobicContact CD1-CD2 3.34Å; Y788-Y905 HydrophobicContact CD1-CE2 4.12Å; Y788-Y905 AromaticContact CD1-CG 3.8Å; Y788-Y905 HydrophobicContact CD1-CG 3.8Å; Y788-Y905 HydrophobicContact CE1-CD1 4.27Å; Y788-Y905 AromaticContact CE1-CD2 3.38Å; Y788-Y905 HydrophobicContact CE1-CD2 3.38Å; Y788-Y905 AromaticContact CE1-CE2 3.93Å; Y788-Y905 HydrophobicContact CE1-CE2 3.93Å; Y788-Y905 AromaticContact CE1-CG 3.57Å; Y788-Y905 HydrophobicContact CE1-CG 3.57Å; Y788-Y905 HydrophobicContact CG-CD2 4.33Å
789	S	98.1	Very high	97.4	Very high	20 Å²	20	28.9 Å²	28.9	14%	0.14	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-31.5	178	-70.2	0	0	0	0	112.7	S785 L787 Q793 E910	S785-S789 WeakPolarHBondContact O-CB 3.44Å; S785-S789 PolarHBondContact O-N 2.89Å; S785-S789 PolarHBondContact O-OG 3.49Å; L787-S789 VanDerWaalsContact C-N 3.33Å; L787-S789 PolarHBondContact O-N 3.18Å; S789-Q793 VanDerWaalsContact O-CG 3.31Å; S789-Q793 WeakPolarHBondContact O-CG 3.42Å; S789-Q793 PolarHBondContact O-N 3.23Å; S789-Q793 PolarHBondContact O-NE2 3Å; S789-E910 PolarHBondContact OG-OE1 3.1Å
790	T	98.6	Very high	97.5	Very high	2 Å²	2	30 Å²	30	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-71.3	-42.9	174.1	-57.5	0	0	0	0	110.9	R786 L787 Y788 V792 Q793 C794 A809 L810 F813	R786-T790 WeakPolarHBondContact O-CB 3.25Å; R786-T790 PolarHBondContact O-N 2.94Å; R786-T790 PolarHBondContact O-OG1 2.94Å; L787-T790 WeakPolarHBondContact O-CA 3.42Å; L787-T790 WeakPolarHBondContact O-CB 3.42Å; L787-T790 PolarHBondContact O-N 2.91Å; Y788-T790 PolarHBondContact O-N 3.19Å; T790-V792 PolarHBondContact O-N 3.09Å; T790-Q793 PolarHBondContact O-N 2.85Å; T790-C794 PolarHBondContact O-N 3.33Å; T790-C794 PolarHBondContact O-SG 3.44Å; T790-A809 HydrophobicContact CG2-CB 4.27Å; T790-L810 HydrophobicContact CG2-CD2 4.16Å; T790-F813 HydrophobicContact CG2-CB 3.87Å; T790-F813 HydrophobicContact CG2-CG 4.35Å
791	V	98.6	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-45.7	176.5	174.5	0	0	0	0	111.1	L787 Y788 Q793 C794 E795 L861 L901	L787-V791 WeakPolarHBondContact O-CG2 3.48Å; L787-V791 PolarHBondContact O-N 3.46Å; Y788-V791 WeakPolarHBondContact O-CB 3.49Å; Y788-V791 PolarHBondContact O-N 2.84Å; Y788-V791 VanDerWaalsContact O-N 3.08Å; V791-Q793 VanDerWaalsContact C-N 3.32Å; V791-Q793 PolarHBondContact O-N 3.44Å; V791-C794 PolarHBondContact O-N 3.34Å; V791-E795 HydrophobicContact CG1-CG 4.39Å; V791-E795 WeakPolarHBondContact O-CG 3.21Å; V791-E795 PolarHBondContact O-N 2.81Å; V791-L861 HydrophobicContact CG2-CD1 3.79Å; V791-L861 HydrophobicContact CG2-CD2 4.12Å; V791-L901 HydrophobicContact CB-CD1 4.44Å; V791-L901 HydrophobicContact CG2-CD1 3.77Å
792	V	98.4	Very high	97.7	Very high	33 Å²	33	30.2 Å²	30.2	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-58.4	-44.1	176.1	174.2	0	0	0	0	111.3	Y788 T790 E795 Q796	Y788-V792 HydrophobicContact CD1-CG2 4.29Å; Y788-V792 HydrophobicContact CE1-CG2 3.8Å; Y788-V792 HydrophobicContact CE2-CG2 4.34Å; Y788-V792 WeakPolarHBondContact O-CG2 3.25Å; Y788-V792 PolarHBondContact O-N 3.26Å; T790-V792 PolarHBondContact O-N 3.09Å; V792-E795 PolarHBondContact O-N 3.47Å; V792-Q796 WeakPolarHBondContact O-CG 3.44Å; V792-Q796 PolarHBondContact O-N 3.23Å
793	Q	98.3	Very high	97.7	Very high	63 Å²	63	30.1 Å²	30.1	29%	0.294	15%	0.149	S	C	.	.	H	α-helix	trans	-63.2	-41.9	177	-74.9	168.8	49	0	0	112.1	S789 T790 V791 A797 A809	S789-Q793 VanDerWaalsContact O-CG 3.31Å; S789-Q793 WeakPolarHBondContact O-CG 3.42Å; S789-Q793 PolarHBondContact O-N 3.23Å; S789-Q793 PolarHBondContact O-NE2 3Å; T790-Q793 PolarHBondContact O-N 2.85Å; V791-Q793 VanDerWaalsContact C-N 3.32Å; V791-Q793 PolarHBondContact O-N 3.44Å; Q793-A797 VanDerWaalsContact O-CB 3.24Å; Q793-A797 WeakPolarHBondContact O-CB 3.48Å; Q793-A797 PolarHBondContact O-N 2.87Å; Q793-A809 HydrophobicContact CB-CB 4.2Å
794	C	98.6	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-45.7	176.4	-65.9	0	0	0	0	111.6	T790 V791 A797 F798 V806 L810	T790-C794 PolarHBondContact O-N 3.33Å; T790-C794 PolarHBondContact O-SG 3.44Å; V791-C794 PolarHBondContact O-N 3.34Å; C794-A797 PolarHBondContact O-N 3.08Å; C794-F798 WeakPolarHBondContact O-CB 3.33Å; C794-F798 VanDerWaalsContact O-CD2 3.3Å; C794-F798 WeakPolarHBondContact O-CD2 3.3Å; C794-F798 PolarHBondContact O-N 3.14Å; C794-V806 HydrophobicContact CB-CG1 4.09Å; C794-L810 VanDerWaalsContact SG-CD2 3.58Å
795	E	97.3	Very high	97.7	Very high	40 Å²	40	34.7 Å²	34.7	19%	0.187	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-50	177.1	-73.4	176.2	149.7	0	0	111.3	V791 V792 E799 R897 S898	V791-E795 HydrophobicContact CG1-CG 4.39Å; V791-E795 WeakPolarHBondContact O-CG 3.21Å; V791-E795 PolarHBondContact O-N 2.81Å; V792-E795 PolarHBondContact O-N 3.47Å; E795-E799 WeakPolarHBondContact O-CG 3.48Å; E795-E799 PolarHBondContact O-N 3.02Å; E795-R897 WeakPolarHBondContact OE1-CA 3.39Å; E795-R897 WeakPolarHBondContact OE1-CB 3.18Å; E795-S898 PolarHBondContact OE1-N 3.3Å; E795-S898 WeakPolarHBondContact OE2-CB 3.16Å; E795-S898 PolarHBondContact OE2-OG 3.3Å
796	Q	98	Very high	97.7	Very high	132 Å²	132	34.7 Å²	34.7	62%	0.617	17%	0.172	S	C	*	.	H	α-helix	trans	-62.1	-46.2	179.1	-70.6	172.7	-8.9	0	0	112.4	V792 E799 A800	V792-Q796 WeakPolarHBondContact O-CG 3.44Å; V792-Q796 PolarHBondContact O-N 3.23Å; Q796-E799 PolarHBondContact O-N 3.3Å; Q796-A800 WeakPolarHBondContact O-CB 3.48Å; Q796-A800 PolarHBondContact O-N 2.97Å; Q796-A800 VanDerWaalsContact O-N 3.1Å
797	A	97.9	Very high	97.7	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-72.6	-32.3	-176.4	0	0	0	0	0	113	Q793 C794 A800 Y801 E802 N805 V806	Q793-A797 VanDerWaalsContact O-CB 3.24Å; Q793-A797 WeakPolarHBondContact O-CB 3.48Å; Q793-A797 PolarHBondContact O-N 2.87Å; C794-A797 PolarHBondContact O-N 3.08Å; A797-A800 PolarHBondContact O-N 3.06Å; A797-Y801 PolarHBondContact O-N 3.03Å; A797-E802 HydrophobicContact CB-CB 4.24Å; A797-E802 PolarHBondContact O-N 3.48Å; A797-N805 HydrophobicContact CB-CB 3.79Å; A797-V806 HydrophobicContact CB-CG2 3.53Å
798	F	97.9	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-45.1	172.3	-92.5	-65.1	0	0	0	112.1	L165 W168 C794 A800 Y801 L803 V806 P864 F865 Y895	L165-F798 HydrophobicContact CD2-CD1 4.3Å; W168-F798 HydrophobicContact CB-CD1 4.31Å; W168-F798 HydrophobicContact CB-CE1 3.98Å; W168-F798 HydrophobicContact CB-CZ 4.13Å; W168-F798 AromaticContact CD1-CD2 3.89Å; W168-F798 HydrophobicContact CD2-CB 3.9Å; W168-F798 AromaticContact CD2-CD1 3.84Å; W168-F798 HydrophobicContact CD2-CD1 3.84Å; W168-F798 HydrophobicContact CD2-CD2 4.27Å; W168-F798 HydrophobicContact CD2-CE1 4.4Å; W168-F798 AromaticContact CD2-CG 3.78Å; W168-F798 HydrophobicContact CD2-CG 3.78Å; W168-F798 AromaticContact CE2-CG 3.8Å; W168-F798 HydrophobicContact CE3-CB 4.07Å; W168-F798 AromaticContact CE3-CD1 3.95Å; W168-F798 HydrophobicContact CE3-CD1 3.95Å; W168-F798 HydrophobicContact CE3-CG 4.17Å; W168-F798 HydrophobicContact CG-CD1 4Å; W168-F798 HydrophobicContact CG-CD2 4.15Å; W168-F798 HydrophobicContact CG-CE1 4.1Å; W168-F798 HydrophobicContact CG-CE2 4.23Å; W168-F798 HydrophobicContact CG-CG 4.04Å; W168-F798 HydrophobicContact CG-CZ 4.21Å; W168-F798 HydrophobicContact CH2-CB 3.62Å; W168-F798 HydrophobicContact CZ2-CB 3.46Å; W168-F798 VanDerWaalsContact CZ2-CB 3.46Å; W168-F798 HydrophobicContact CZ2-CG 4.21Å; W168-F798 HydrophobicContact CZ3-CB 3.93Å; W168-F798 HydrophobicContact CZ3-CD1 4.49Å; W168-F798 AromaticContact NE1-CD2 3.86Å; C794-F798 WeakPolarHBondContact O-CB 3.33Å; C794-F798 VanDerWaalsContact O-CD2 3.3Å; C794-F798 WeakPolarHBondContact O-CD2 3.3Å; C794-F798 PolarHBondContact O-N 3.14Å; F798-A800 PolarHBondContact O-N 3.31Å; F798-Y801 PolarHBondContact O-N 3.3Å; F798-Y801 VanDerWaalsContact O-N 3.08Å; F798-L803 HydrophobicContact CD1-CD2 3.58Å; F798-L803 HydrophobicContact CE1-CD2 3.52Å; F798-V806 HydrophobicContact CD1-CG2 4.44Å; F798-V806 HydrophobicContact CD2-CG1 4Å; F798-V806 HydrophobicContact CD2-CG2 3.85Å; F798-V806 HydrophobicContact CE2-CB 4.4Å; F798-V806 HydrophobicContact CE2-CG1 3.51Å; F798-V806 HydrophobicContact CE2-CG2 4.09Å; F798-V806 HydrophobicContact CG-CG2 4.03Å; F798-V806 HydrophobicContact CZ-CG1 4.01Å; F798-V806 HydrophobicContact CZ-CG2 4.5Å; F798-P864 HydrophobicContact CZ-CB 4.12Å; F798-P864 HydrophobicContact CZ-CG 4.25Å; F798-F865 HydrophobicContact CE1-CE2 4.31Å; F798-F865 AromaticContact CE1-CZ 3.82Å; F798-F865 HydrophobicContact CE1-CZ 3.82Å; F798-F865 HydrophobicContact CE2-CE2 4.13Å; F798-F865 HydrophobicContact CE2-CZ 4.32Å; F798-F865 AromaticContact CZ-CE2 3.49Å; F798-F865 HydrophobicContact CZ-CE2 3.49Å; F798-F865 VanDerWaalsContact CZ-CE2 3.49Å; F798-F865 AromaticContact CZ-CZ 3.46Å; F798-F865 HydrophobicContact CZ-CZ 3.46Å; F798-F865 VanDerWaalsContact CZ-CZ 3.46Å; F798-Y895 AromaticContact CE2-CZ 3.97Å; F798-Y895 WeakPolarHBondContact CE2-OH 3.44Å
799	E	96.3	Very high	97.7	Very high	97 Å²	97	31.9 Å²	31.9	45%	0.453	17%	0.168	S	C	.	.	H	α-helix	trans	-64	-30.3	177	-66.9	-65	168.6	0	0	112	W168 R169 E795 Q796 Y801	W168-E799 VanDerWaalsContact CH2-CD 3.47Å; W168-E799 HydrophobicContact CH2-CG 4.01Å; W168-E799 VanDerWaalsContact CH2-OE1 3.25Å; W168-E799 WeakPolarHBondContact CH2-OE1 3.31Å; W168-E799 HydrophobicContact CZ2-CG 4.32Å; R169-E799 IonicContact CZ-OE1 3.96Å; R169-E799 IonicContact CZ-OE2 3.14Å; R169-E799 IonicContact NH1-OE1 2.69Å; R169-E799 PolarHBondContact NH1-OE1 3.46Å; R169-E799 IonicContact NH1-OE2 3.12Å; R169-E799 IonicContact NH2-OE1 3.32Å; R169-E799 IonicContact NH2-OE2 2.66Å; R169-E799 PolarHBondContact NH2-OE2 3.44Å; E795-E799 WeakPolarHBondContact O-CG 3.48Å; E795-E799 PolarHBondContact O-N 3.02Å; Q796-E799 PolarHBondContact O-N 3.3Å; E799-Y801 VanDerWaalsContact C-N 3.32Å
800	A	95.8	Very high	97.7	Very high	45 Å²	45	31 Å²	31	37%	0.372	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	1.7	174.8	0	0	0	0	0	114.6	Q729 Q796 A797 F798 E802	Q729-A800 PolarHBondContact NE2-O 2.95Å; Q796-A800 WeakPolarHBondContact O-CB 3.48Å; Q796-A800 PolarHBondContact O-N 2.97Å; Q796-A800 VanDerWaalsContact O-N 3.1Å; A797-A800 PolarHBondContact O-N 3.06Å; F798-A800 PolarHBondContact O-N 3.31Å; A800-E802 HydrophobicContact CB-CG 3.94Å; A800-E802 PolarHBondContact O-N 3.31Å
801	Y	96.9	Very high	97.7	Very high	19 Å²	19	31.6 Å²	31.6	8%	0.075	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	30.1	-171.5	-52.2	-70.9	0	0	0	114	L165 I501 L615 Q645 L647 M728 Q729 A797 F798 E799 L803	L165-Y801 HydrophobicContact CD1-CD1 4.15Å; L165-Y801 HydrophobicContact CD1-CE1 4.36Å; L165-Y801 HydrophobicContact CD2-CD1 3.99Å; L165-Y801 HydrophobicContact CD2-CE1 4.32Å; I501-Y801 HydrophobicContact CD1-CD2 3.85Å; I501-Y801 HydrophobicContact CD1-CE2 3.68Å; L615-Y801 HydrophobicContact CD2-CE1 4.11Å; Q645-Y801 PolarHBondContact OE1-OH 3.36Å; L647-Y801 HydrophobicContact CD1-CG 4.36Å; L647-Y801 HydrophobicContact CD2-CD1 3.91Å; L647-Y801 HydrophobicContact CD2-CG 4.01Å; M728-Y801 WeakPolarHBondContact CE-O 3.27Å; Q729-Y801 PolarHBondContact NE2-O 2.87Å; A797-Y801 PolarHBondContact O-N 3.03Å; F798-Y801 PolarHBondContact O-N 3.3Å; F798-Y801 VanDerWaalsContact O-N 3.08Å; E799-Y801 VanDerWaalsContact C-N 3.32Å; Y801-L803 PolarHBondContact O-N 3.21Å
802	E	96.2	Very high	97.6	Very high	74 Å²	74	33.3 Å²	33.3	35%	0.346	18%	0.176	S	C	.	.			trans	-97.5	61.8	178.7	-65.2	-170.6	143.6	0	0	111.2	A797 A800 H804 N805 V806	A797-E802 HydrophobicContact CB-CB 4.24Å; A797-E802 PolarHBondContact O-N 3.48Å; A800-E802 HydrophobicContact CB-CG 3.94Å; A800-E802 PolarHBondContact O-N 3.31Å; E802-H804 PolarHBondContact O-N 3.29Å; E802-N805 HydrophobicContact CB-CB 4.18Å; E802-N805 WeakPolarHBondContact O-CB 3.33Å; E802-N805 PolarHBondContact O-N 2.75Å; E802-N805 PolarHBondContact OE2-ND2 3.48Å; E802-V806 PolarHBondContact O-N 3.3Å
803	L	97.6	Very high	97.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-56.5	-28.8	-175.7	-60.4	-173.6	0	0	0	114.2	V161 A164 L165 C724 M728 F798 Y801 N805 V806 T807 F865	V161-L803 HydrophobicContact CB-CD1 4.21Å; V161-L803 HydrophobicContact CG1-CD1 3.87Å; V161-L803 HydrophobicContact CG2-CD1 4.21Å; A164-L803 HydrophobicContact CB-CD1 4.26Å; L165-L803 HydrophobicContact CD2-CD2 4.11Å; C724-L803 CarbonylContact O-C 3.46Å; M728-L803 HydrophobicContact CE-CB 4.23Å; M728-L803 HydrophobicContact CE-CD1 3.82Å; M728-L803 HydrophobicContact CE-CG 3.68Å; M728-L803 HydrophobicContact SD-CD1 4.36Å; F798-L803 HydrophobicContact CD1-CD2 3.58Å; F798-L803 HydrophobicContact CE1-CD2 3.52Å; Y801-L803 PolarHBondContact O-N 3.21Å; L803-N805 VanDerWaalsContact C-N 3.32Å; L803-N805 PolarHBondContact O-N 2.95Å; L803-V806 WeakPolarHBondContact O-CB 3.34Å; L803-V806 PolarHBondContact O-N 3.02Å; L803-T807 WeakPolarHBondContact O-CG2 3.26Å; L803-T807 PolarHBondContact O-N 3.39Å; L803-T807 PolarHBondContact O-OG1 2.93Å; L803-F865 HydrophobicContact CB-CE1 4.1Å; L803-F865 HydrophobicContact CB-CZ 4.46Å; L803-F865 HydrophobicContact CD1-CE1 4.37Å; L803-F865 HydrophobicContact CD2-CE1 4.22Å; L803-F865 HydrophobicContact CD2-CZ 4.13Å; L803-F865 HydrophobicContact CG-CE1 4.46Å
804	H	96.3	Very high	97.6	Very high	32 Å²	32	28.8 Å²	28.8	15%	0.148	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-34.5	174.1	68.6	-76.8	0	0	0	113.2	C724 S725 E802 T807 S808	C724-H804 VanDerWaalsContact O-CA 3.28Å; C724-H804 WeakPolarHBondContact O-CA 3.28Å; C724-H804 PolarHBondContact O-N 3.45Å; S725-H804 WeakPolarHBondContact O-CB 3.11Å; E802-H804 PolarHBondContact O-N 3.29Å; H804-T807 WeakPolarHBondContact CA-OG1 3.49Å; H804-T807 PolarHBondContact O-OG1 3.49Å; H804-S808 VanDerWaalsContact O-CB 3.22Å; H804-S808 WeakPolarHBondContact O-CB 3.34Å; H804-S808 PolarHBondContact O-N 3.5Å
805	N	97.8	Very high	97.5	Very high	63 Å²	63	30 Å²	30	34%	0.337	16%	0.16	S	C	.	.	H	α-helix	trans	-72.1	-37.1	175.2	-73.3	-23	0	0	0	110.9	A797 E802 L803 S808 A809	A797-N805 HydrophobicContact CB-CB 3.79Å; E802-N805 HydrophobicContact CB-CB 4.18Å; E802-N805 WeakPolarHBondContact O-CB 3.33Å; E802-N805 PolarHBondContact O-N 2.75Å; E802-N805 PolarHBondContact OE2-ND2 3.48Å; L803-N805 VanDerWaalsContact C-N 3.32Å; L803-N805 PolarHBondContact O-N 2.95Å; N805-S808 PolarHBondContact O-N 3.39Å; N805-A809 WeakPolarHBondContact O-CB 3.42Å; N805-A809 PolarHBondContact O-N 2.88Å
806	V	98.6	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-54.5	172.9	-172.9	0	0	0	0	110.7	C794 A797 F798 E802 L803 S808 A809 L810 F865	C794-V806 HydrophobicContact CB-CG1 4.09Å; A797-V806 HydrophobicContact CB-CG2 3.53Å; F798-V806 HydrophobicContact CD1-CG2 4.44Å; F798-V806 HydrophobicContact CD2-CG1 4Å; F798-V806 HydrophobicContact CD2-CG2 3.85Å; F798-V806 HydrophobicContact CE2-CB 4.4Å; F798-V806 HydrophobicContact CE2-CG1 3.51Å; F798-V806 HydrophobicContact CE2-CG2 4.09Å; F798-V806 HydrophobicContact CG-CG2 4.03Å; F798-V806 HydrophobicContact CZ-CG1 4.01Å; F798-V806 HydrophobicContact CZ-CG2 4.5Å; E802-V806 PolarHBondContact O-N 3.3Å; L803-V806 WeakPolarHBondContact O-CB 3.34Å; L803-V806 PolarHBondContact O-N 3.02Å; V806-S808 VanDerWaalsContact C-N 3.3Å; V806-S808 PolarHBondContact O-N 2.78Å; V806-A809 PolarHBondContact O-N 3.11Å; V806-L810 HydrophobicContact CG1-CD1 3.96Å; V806-L810 HydrophobicContact CG1-CG 4.34Å; V806-L810 VanDerWaalsContact O-CG 3.28Å; V806-L810 WeakPolarHBondContact O-CG 3.44Å; V806-L810 PolarHBondContact O-N 3.26Å; V806-F865 HydrophobicContact CB-CE2 4.14Å; V806-F865 HydrophobicContact CB-CZ 3.91Å; V806-F865 HydrophobicContact CG1-CE2 3.48Å; V806-F865 VanDerWaalsContact CG1-CE2 3.48Å; V806-F865 HydrophobicContact CG1-CZ 3.75Å
807	T	98.3	Very high	97.3	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-60.2	-39.6	-179.5	52.8	0	0	0	0	111.8	F721 C724 S725 L803 H804 F811 F865	F721-T807 HydrophobicContact CD2-CG2 4.07Å; F721-T807 HydrophobicContact CE1-CG2 4.47Å; F721-T807 HydrophobicContact CE2-CG2 3.77Å; F721-T807 HydrophobicContact CZ-CG2 4.02Å; F721-T807 WeakPolarHBondContact CZ-O 3.39Å; C724-T807 HydrophobicContact CB-CG2 3.92Å; S725-T807 WeakPolarHBondContact CA-OG1 3.3Å; L803-T807 WeakPolarHBondContact O-CG2 3.26Å; L803-T807 PolarHBondContact O-N 3.39Å; L803-T807 PolarHBondContact O-OG1 2.93Å; H804-T807 WeakPolarHBondContact CA-OG1 3.49Å; H804-T807 PolarHBondContact O-OG1 3.49Å; T807-F811 WeakPolarHBondContact O-CB 3.45Å; T807-F811 PolarHBondContact O-N 3.07Å; T807-F865 HydrophobicContact CG2-CD1 3.82Å; T807-F865 HydrophobicContact CG2-CD2 4.35Å; T807-F865 HydrophobicContact CG2-CE1 3.86Å; T807-F865 HydrophobicContact CG2-CE2 4.38Å; T807-F865 HydrophobicContact CG2-CG 4.07Å; T807-F865 HydrophobicContact CG2-CZ 4.14Å
808	S	97.6	Very high	97.2	Very high	34 Å²	34	25.1 Å²	25.1	24%	0.238	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-47.5	174.8	-174.3	0	0	0	0	112.6	H804 N805 V806 L810 F811 S812	H804-S808 VanDerWaalsContact O-CB 3.22Å; H804-S808 WeakPolarHBondContact O-CB 3.34Å; H804-S808 PolarHBondContact O-N 3.5Å; N805-S808 PolarHBondContact O-N 3.39Å; V806-S808 VanDerWaalsContact C-N 3.3Å; V806-S808 PolarHBondContact O-N 2.78Å; S808-L810 PolarHBondContact O-N 2.83Å; S808-F811 PolarHBondContact O-N 2.74Å; S808-S812 WeakPolarHBondContact O-CB 3.49Å; S808-S812 PolarHBondContact O-N 3.41Å
809	A	98.4	Very high	97.1	Very high	6 Å²	6	25.1 Å²	25.1	5%	0.05	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-46.9	178.1	0	0	0	0	0	111.5	T790 Q793 N805 V806 S812 F813	T790-A809 HydrophobicContact CG2-CB 4.27Å; Q793-A809 HydrophobicContact CB-CB 4.2Å; N805-A809 WeakPolarHBondContact O-CB 3.42Å; N805-A809 PolarHBondContact O-N 2.88Å; V806-A809 PolarHBondContact O-N 3.11Å; A809-S812 PolarHBondContact O-N 3.27Å; A809-F813 WeakPolarHBondContact O-CB 3.47Å; A809-F813 PolarHBondContact O-N 3.32Å
810	L	98.6	Very high	96.9	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-47.6	178.7	-65.4	178.3	0	0	0	112.4	T790 C794 V806 S808 S812 F813 W814 L861 F862 F865	T790-L810 HydrophobicContact CG2-CD2 4.16Å; C794-L810 VanDerWaalsContact SG-CD2 3.58Å; V806-L810 HydrophobicContact CG1-CD1 3.96Å; V806-L810 HydrophobicContact CG1-CG 4.34Å; V806-L810 VanDerWaalsContact O-CG 3.28Å; V806-L810 WeakPolarHBondContact O-CG 3.44Å; V806-L810 PolarHBondContact O-N 3.26Å; S808-L810 PolarHBondContact O-N 2.83Å; L810-S812 VanDerWaalsContact C-N 3.31Å; L810-S812 PolarHBondContact O-N 3.01Å; L810-F813 PolarHBondContact O-N 3.42Å; L810-W814 PolarHBondContact O-N 2.7Å; L810-L861 HydrophobicContact CD1-CB 4.49Å; L810-L861 HydrophobicContact CD2-CB 3.5Å; L810-L861 HydrophobicContact CD2-CD1 3.9Å; L810-L861 HydrophobicContact CD2-CG 4.28Å; L810-F862 VanDerWaalsContact C-CZ 3.48Å; L810-F862 HydrophobicContact CB-CD1 4.11Å; L810-F862 HydrophobicContact CB-CE1 3.52Å; L810-F862 HydrophobicContact CB-CE2 4.06Å; L810-F862 HydrophobicContact CB-CZ 3.49Å; L810-F862 VanDerWaalsContact CB-CZ 3.49Å; L810-F862 HydrophobicContact CD1-CD1 4.03Å; L810-F862 HydrophobicContact CD1-CE1 4.29Å; L810-F862 HydrophobicContact CD1-CG 4.31Å; L810-F862 WeakPolarHBondContact O-CZ 3.25Å; L810-F865 HydrophobicContact CD1-CD2 4.16Å; L810-F865 HydrophobicContact CD1-CE2 4.17Å
811	F	97.9	Very high	96.9	Very high	14 Å²	14	21 Å²	21	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-43.8	177.1	-178.1	-93.4	0	0	0	111.1	L19 L23 F721 L742 F743 F746 T807 S808 L815 Y816	L19-F811 HydrophobicContact CD2-CE1 4.27Å; L19-F811 HydrophobicContact CD2-CZ 4.18Å; L23-F811 HydrophobicContact CD1-CE1 4.34Å; F721-F811 HydrophobicContact CE1-CB 4.31Å; F721-F811 HydrophobicContact CE1-CD2 4.39Å; F721-F811 HydrophobicContact CZ-CB 4.19Å; L742-F811 HydrophobicContact CD2-CE2 4.47Å; L742-F811 HydrophobicContact CD2-CZ 4.47Å; F743-F811 HydrophobicContact CD1-CD2 4.44Å; F743-F811 HydrophobicContact CD1-CE2 4.38Å; F743-F811 HydrophobicContact CE1-CD2 4.04Å; F743-F811 HydrophobicContact CE1-CE2 4.12Å; F746-F811 HydrophobicContact CB-CE2 4.08Å; F746-F811 HydrophobicContact CD1-CD2 4.11Å; F746-F811 HydrophobicContact CD1-CE2 4.38Å; F746-F811 AromaticContact CD2-CD2 3.69Å; F746-F811 HydrophobicContact CD2-CD2 3.69Å; F746-F811 AromaticContact CD2-CE2 3.5Å; F746-F811 HydrophobicContact CD2-CE2 3.5Å; F746-F811 HydrophobicContact CE1-CD2 4.18Å; F746-F811 AromaticContact CE2-CD2 3.76Å; F746-F811 HydrophobicContact CE2-CD2 3.76Å; F746-F811 HydrophobicContact CE2-CE2 4.01Å; F746-F811 AromaticContact CG-CD2 3.88Å; F746-F811 HydrophobicContact CG-CD2 3.88Å; F746-F811 AromaticContact CG-CE2 3.72Å; F746-F811 HydrophobicContact CG-CE2 3.72Å; F746-F811 HydrophobicContact CZ-CD2 4.02Å; T807-F811 WeakPolarHBondContact O-CB 3.45Å; T807-F811 PolarHBondContact O-N 3.07Å; S808-F811 PolarHBondContact O-N 2.74Å; F811-L815 HydrophobicContact CE1-CD2 3.66Å; F811-L815 HydrophobicContact CE2-CD2 4.32Å; F811-L815 HydrophobicContact CZ-CD2 3.51Å; F811-L815 VanDerWaalsContact O-CB 3.25Å; F811-L815 WeakPolarHBondContact O-CB 3.41Å; F811-L815 PolarHBondContact O-N 2.99Å; F811-Y816 HydrophobicContact CE1-CE2 4.39Å
812	S	97.2	Very high	96.8	Very high	36 Å²	36	20.2 Å²	20.2	25%	0.252	11%	0.106	S	C	.	.	H	α-helix	trans	-63.2	-47.3	178.6	-174.7	0	0	0	0	112.1	S808 A809 L810 Y816 N817	S808-S812 WeakPolarHBondContact O-CB 3.49Å; S808-S812 PolarHBondContact O-N 3.41Å; A809-S812 PolarHBondContact O-N 3.27Å; L810-S812 VanDerWaalsContact C-N 3.31Å; L810-S812 PolarHBondContact O-N 3.01Å; S812-Y816 WeakPolarHBondContact O-CA 3.24Å; S812-Y816 VanDerWaalsContact O-CB 3.32Å; S812-Y816 WeakPolarHBondContact O-CB 3.14Å; S812-Y816 PolarHBondContact O-N 3.13Å; S812-N817 PolarHBondContact O-N 3.37Å
813	F	98.6	Very high	96.7	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.092	C	C	.	.	I	π-helix	trans	-59.8	-54.4	177	177.2	-97.1	0	0	0	111.2	I783 R786 L787 T790 A809 L810 L815 N817 L818 S858	I783-F813 HydrophobicContact CD1-CE2 3.68Å; I783-F813 HydrophobicContact CD1-CZ 3.91Å; I783-F813 HydrophobicContact CG1-CE2 4.41Å; I783-F813 HydrophobicContact CG1-CZ 4.34Å; R786-F813 HydrophobicContact CB-CD2 4.24Å; R786-F813 HydrophobicContact CB-CE2 4.07Å; L787-F813 HydrophobicContact CB-CE2 3.68Å; L787-F813 HydrophobicContact CB-CZ 3.7Å; L787-F813 HydrophobicContact CD1-CD1 4.24Å; L787-F813 HydrophobicContact CD1-CE1 3.77Å; L787-F813 HydrophobicContact CD1-CE2 4.19Å; L787-F813 HydrophobicContact CD1-CZ 3.73Å; L787-F813 HydrophobicContact CG-CZ 4.2Å; T790-F813 HydrophobicContact CG2-CB 3.87Å; T790-F813 HydrophobicContact CG2-CG 4.35Å; A809-F813 WeakPolarHBondContact O-CB 3.47Å; A809-F813 PolarHBondContact O-N 3.32Å; L810-F813 PolarHBondContact O-N 3.42Å; F813-L815 PolarHBondContact O-N 3.41Å; F813-N817 HydrophobicContact CD2-CB 4.08Å; F813-N817 HydrophobicContact CE2-CB 4.43Å; F813-N817 WeakPolarHBondContact O-CA 3.48Å; F813-N817 WeakPolarHBondContact O-CB 3.29Å; F813-N817 PolarHBondContact O-N 2.86Å; F813-N817 VanDerWaalsContact O-N 3.12Å; F813-L818 HydrophobicContact CE1-CB 4.29Å; F813-L818 HydrophobicContact CE1-CD2 4.46Å; F813-L818 PolarHBondContact O-N 2.83Å; F813-S858 WeakPolarHBondContact CE1-OG 3.41Å
814	W	98.3	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-62.9	-47.5	-175.7	-170.2	-75.7	0	0	0	111.9	F746 M750 T753 L810 L818 C819 V855 L859 F862	F746-W814 HydrophobicContact CE2-CB 4.1Å; F746-W814 AromaticContact CE2-CD1 3.7Å; F746-W814 HydrophobicContact CE2-CG 4.04Å; F746-W814 HydrophobicContact CZ-CB 3.94Å; F746-W814 AromaticContact CZ-CG 3.96Å; F746-W814 HydrophobicContact CZ-CG 3.96Å; M750-W814 HydrophobicContact CB-CH2 4.42Å; M750-W814 HydrophobicContact CB-CZ2 3.7Å; M750-W814 HydrophobicContact CE-CE3 4.37Å; M750-W814 HydrophobicContact CE-CH2 4.08Å; M750-W814 HydrophobicContact CE-CZ2 4.32Å; M750-W814 HydrophobicContact CE-CZ3 4.12Å; M750-W814 HydrophobicContact CG-CD2 4.2Å; M750-W814 HydrophobicContact CG-CH2 4.5Å; M750-W814 HydrophobicContact CG-CZ2 3.81Å; T753-W814 HydrophobicContact CG2-CH2 4.38Å; T753-W814 HydrophobicContact CG2-CZ2 3.62Å; T753-W814 PolarHBondContact OG1-NE1 3Å; L810-W814 PolarHBondContact O-N 2.7Å; W814-L818 HydrophobicContact CD2-CD2 4.24Å; W814-L818 HydrophobicContact CE3-CD2 4.23Å; W814-L818 WeakPolarHBondContact O-CB 3.32Å; W814-C819 VanDerWaalsContact O-CB 3.25Å; W814-C819 WeakPolarHBondContact O-CB 3.22Å; W814-C819 PolarHBondContact O-N 3.02Å; W814-C819 PolarHBondContact O-SG 3.31Å; W814-V855 HydrophobicContact CH2-CG1 4.04Å; W814-L859 HydrophobicContact CH2-CD2 3.92Å; W814-L859 HydrophobicContact CH2-CG 4.37Å; W814-L859 HydrophobicContact CZ3-CD2 4.14Å; W814-L859 HydrophobicContact CZ3-CG 4.4Å; W814-F862 HydrophobicContact CB-CE2 4Å; W814-F862 HydrophobicContact CB-CZ 4Å; W814-F862 HydrophobicContact CD2-CE2 4.19Å; W814-F862 HydrophobicContact CE3-CD2 4.18Å; W814-F862 AromaticContact CE3-CE2 3.68Å; W814-F862 HydrophobicContact CE3-CE2 3.68Å; W814-F862 HydrophobicContact CG-CE2 4.36Å; W814-F862 HydrophobicContact CZ3-CE2 4.46Å
815	L	95.3	Very high	96.2	Very high	26 Å²	26	18.2 Å²	18.2	14%	0.136	10%	0.098	C	C	.	.	I	π-helix	trans	-80.1	-50.5	-173.9	-174.3	60.8	0	0	0	112.3	F746 K749 F811 F813 C819 D820	F746-L815 HydrophobicContact CE2-CB 4.49Å; K749-L815 HydrophobicContact CG-CD1 4.18Å; F811-L815 HydrophobicContact CE1-CD2 3.66Å; F811-L815 HydrophobicContact CE2-CD2 4.32Å; F811-L815 HydrophobicContact CZ-CD2 3.51Å; F811-L815 VanDerWaalsContact O-CB 3.25Å; F811-L815 WeakPolarHBondContact O-CB 3.41Å; F811-L815 PolarHBondContact O-N 2.99Å; F813-L815 PolarHBondContact O-N 3.41Å; L815-C819 VanDerWaalsContact O-CB 3.31Å; L815-C819 WeakPolarHBondContact O-CB 3.45Å; L815-D820 WeakPolarHBondContact O-CB 3.34Å; L815-D820 PolarHBondContact O-N 3.24Å
816	Y	94.1	Very high	95.8	Very high	64 Å²	64	15.4 Å²	15.4	25%	0.251	8%	0.083	S	C	.	.	I	π-helix	trans	-90.6	-39.8	-170.2	-55.7	-52.2	0	0	0	113	L23 F811 S812 V821	L23-Y816 HydrophobicContact CD1-CE2 3.75Å; L23-Y816 VanDerWaalsContact CD1-OH 3.26Å; L23-Y816 WeakPolarHBondContact CD1-OH 3.11Å; F811-Y816 HydrophobicContact CE1-CE2 4.39Å; S812-Y816 WeakPolarHBondContact O-CA 3.24Å; S812-Y816 VanDerWaalsContact O-CB 3.32Å; S812-Y816 WeakPolarHBondContact O-CB 3.14Å; S812-Y816 PolarHBondContact O-N 3.13Å; Y816-V821 VanDerWaalsContact O-CG2 3.27Å; Y816-V821 WeakPolarHBondContact O-CG2 3.49Å
817	N	96.9	Very high	95.4	Very high	11 Å²	11	17.1 Å²	17.1	6%	0.059	9%	0.091	C	C	.	.	I	π-helix	trans	-85.5	-53.6	-178.2	-58.2	145.5	0	0	0	111.7	W782 I783 R786 S812 F813 V821 Y822	W782-N817 HydrophobicContact CH2-CB 4.01Å; W782-N817 HydrophobicContact CZ2-CB 4.44Å; I783-N817 HydrophobicContact CD1-CB 4.01Å; R786-N817 HydrophobicContact CB-CB 4.47Å; R786-N817 PolarHBondContact NE-OD1 2.83Å; S812-N817 PolarHBondContact O-N 3.37Å; F813-N817 HydrophobicContact CD2-CB 4.08Å; F813-N817 HydrophobicContact CE2-CB 4.43Å; F813-N817 WeakPolarHBondContact O-CA 3.48Å; F813-N817 WeakPolarHBondContact O-CB 3.29Å; F813-N817 PolarHBondContact O-N 2.86Å; F813-N817 VanDerWaalsContact O-N 3.12Å; N817-V821 WeakPolarHBondContact O-CB 3.37Å; N817-Y822 WeakPolarHBondContact O-CB 3.48Å; N817-Y822 PolarHBondContact O-N 3.25Å
818	L	97.4	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-73.2	-59.1	-178.7	179.6	62	0	0	0	111.1	T753 F813 W814 Y822 L823 L851 C854 V855	T753-L818 HydrophobicContact CG2-CD2 4.25Å; F813-L818 HydrophobicContact CE1-CB 4.29Å; F813-L818 HydrophobicContact CE1-CD2 4.46Å; F813-L818 PolarHBondContact O-N 2.83Å; W814-L818 HydrophobicContact CD2-CD2 4.24Å; W814-L818 HydrophobicContact CE3-CD2 4.23Å; W814-L818 WeakPolarHBondContact O-CB 3.32Å; L818-Y822 HydrophobicContact CD1-CD1 3.88Å; L818-Y822 PolarHBondContact O-N 2.61Å; L818-L823 HydrophobicContact CD1-CD2 4.49Å; L818-L823 HydrophobicContact CD1-CG 4.48Å; L818-L823 WeakPolarHBondContact O-CG 3.44Å; L818-L823 PolarHBondContact O-N 3.43Å; L818-L851 HydrophobicContact CD1-CD1 3.98Å; L818-C854 HydrophobicContact CD1-CB 4.37Å; L818-V855 HydrophobicContact CD2-CG2 4.12Å
819	C	95.8	Very high	94.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-76.2	-53	-170.3	-72.9	0	0	0	0	114.8	K749 T753 W814 L815	K749-C819 WeakPolarHBondContact CE-SG 3.05Å; T753-C819 PolarHBondContact OG1-SG 3.06Å; W814-C819 VanDerWaalsContact O-CB 3.25Å; W814-C819 WeakPolarHBondContact O-CB 3.22Å; W814-C819 PolarHBondContact O-N 3.02Å; W814-C819 PolarHBondContact O-SG 3.31Å; L815-C819 VanDerWaalsContact O-CB 3.31Å; L815-C819 WeakPolarHBondContact O-CB 3.45Å
820	D	91.7	Very high	93.2	Very high	38 Å²	38	20.5 Å²	20.5	20%	0.203	11%	0.108	C	C	.	.	I	π-helix	trans	-78.2	-20.2	-172.7	-87.1	12.4	0	0	0	113.2	R16 L815	R16-D820 IonicContact NH2-OD1 3.62Å; R16-D820 IonicContact NH2-OD2 3.49Å; R16-D820 PolarHBondContact NH2-OD2 2.84Å; L815-D820 WeakPolarHBondContact O-CB 3.34Å; L815-D820 PolarHBondContact O-N 3.24Å
821	V	94.9	Very high	92.2	Very high	18 Å²	18	26.2 Å²	26.2	11%	0.109	13%	0.133	C	C	.	.	I	π-helix	trans	-116.9	-67.6	-175.9	176.5	0	0	0	0	111.8	M779 W782 Y816 N817 E824 S825 F913 L961	M779-V821 HydrophobicContact CE-CG1 4.24Å; W782-V821 HydrophobicContact CE3-CG1 4.45Å; W782-V821 HydrophobicContact CH2-CB 3.76Å; W782-V821 HydrophobicContact CH2-CG1 3.36Å; W782-V821 HydrophobicContact CH2-CG2 4.42Å; W782-V821 HydrophobicContact CZ2-CG1 4.27Å; W782-V821 HydrophobicContact CZ3-CB 4.12Å; W782-V821 HydrophobicContact CZ3-CG1 3.48Å; W782-V821 VanDerWaalsContact CZ3-CG1 3.48Å; Y816-V821 VanDerWaalsContact O-CG2 3.27Å; Y816-V821 WeakPolarHBondContact O-CG2 3.49Å; N817-V821 WeakPolarHBondContact O-CB 3.37Å; V821-E824 PolarHBondContact O-N 2.83Å; V821-S825 WeakPolarHBondContact O-CB 3.45Å; V821-S825 PolarHBondContact O-N 2.6Å; V821-S825 PolarHBondContact O-OG 2.68Å; V821-F913 HydrophobicContact CG1-CE1 3.69Å; V821-F913 HydrophobicContact CG1-CZ 3.42Å; V821-F913 VanDerWaalsContact CG1-CZ 3.42Å; V821-L961 HydrophobicContact CG1-CD1 4Å
822	Y	95.8	Very high	90.7	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.156	C	C	.	.	I	π-helix	trans	-64.8	-51.3	-171.5	-177.6	-111.2	0	0	0	112.4	E780 I783 N817 L818 E824 S825 V826 A847 V850 L851	E780-Y822 HydrophobicContact CG-CE2 4.37Å; I783-Y822 HydrophobicContact CB-CD2 3.84Å; I783-Y822 HydrophobicContact CB-CE2 4.28Å; I783-Y822 HydrophobicContact CB-CG 4.01Å; I783-Y822 HydrophobicContact CD1-CG 4.47Å; I783-Y822 HydrophobicContact CG1-CD1 4.18Å; I783-Y822 HydrophobicContact CG1-CD2 4.28Å; I783-Y822 HydrophobicContact CG1-CG 3.92Å; I783-Y822 HydrophobicContact CG2-CD1 4.33Å; I783-Y822 HydrophobicContact CG2-CD2 3.62Å; I783-Y822 HydrophobicContact CG2-CE1 4.23Å; I783-Y822 HydrophobicContact CG2-CE2 3.53Å; I783-Y822 HydrophobicContact CG2-CG 4.04Å; N817-Y822 WeakPolarHBondContact O-CB 3.48Å; N817-Y822 PolarHBondContact O-N 3.25Å; L818-Y822 HydrophobicContact CD1-CD1 3.88Å; L818-Y822 PolarHBondContact O-N 2.61Å; Y822-E824 VanDerWaalsContact C-N 3.29Å; Y822-E824 PolarHBondContact O-N 3.3Å; Y822-S825 PolarHBondContact O-N 3.12Å; Y822-V826 WeakPolarHBondContact O-CB 3.38Å; Y822-V826 WeakPolarHBondContact O-CG1 3.42Å; Y822-V826 PolarHBondContact O-N 2.94Å; Y822-A847 PolarHBondContact OH-O 2.63Å; Y822-V850 WeakPolarHBondContact OH-CG1 3.49Å; Y822-L851 HydrophobicContact CD1-CD1 4.45Å; Y822-L851 HydrophobicContact CE1-CB 4.13Å; Y822-L851 HydrophobicContact CE1-CD1 4.21Å
823	L	94.2	Very high	88.5	Confident	10 Å²	10	36.3 Å²	36.3	5%	0.052	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-38.6	178.4	-71.2	-171.1	0	0	0	112.7	T753 F756 L818 K827 L851	T753-L823 HydrophobicContact CG2-CD1 3.98Å; F756-L823 HydrophobicContact CD1-CD1 4.45Å; F756-L823 HydrophobicContact CD1-CD2 3.73Å; F756-L823 HydrophobicContact CE1-CD2 3.65Å; L818-L823 HydrophobicContact CD1-CD2 4.49Å; L818-L823 HydrophobicContact CD1-CG 4.48Å; L818-L823 WeakPolarHBondContact O-CG 3.44Å; L818-L823 PolarHBondContact O-N 3.43Å; L823-K827 WeakPolarHBondContact O-CG 3.3Å; L823-K827 PolarHBondContact O-N 3.13Å; L823-L851 HydrophobicContact CD2-CD1 3.47Å; L823-L851 VanDerWaalsContact CD2-CD1 3.47Å; L823-L851 HydrophobicContact CD2-CD2 4.06Å; L823-L851 HydrophobicContact CD2-CG 4.44Å
824	E	92.6	Very high	86.1	Confident	51 Å²	51	45.2 Å²	45.2	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-70	-37.5	177.1	-63.3	-53.7	146	0	0	111.8	V821 Y822 K827 T960 L961	V821-E824 PolarHBondContact O-N 2.83Å; Y822-E824 VanDerWaalsContact C-N 3.29Å; Y822-E824 PolarHBondContact O-N 3.3Å; E824-K827 IonicContact OE1-NZ 3.27Å; E824-K827 PolarHBondContact OE1-NZ 3.15Å; E824-K827 IonicContact OE2-NZ 3.77Å; E824-K827 PolarHBondContact OE2-NZ 2.72Å; E824-T960 VanDerWaalsContact O-CG2 3.23Å; E824-T960 WeakPolarHBondContact O-CG2 3.2Å; E824-L961 HydrophobicContact CB-CD2 3.83Å
825	S	90.9	Very high	83.6	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-72.6	-31.9	-179.1	-54.6	0	0	0	0	113	V821 Y822 P828	V821-S825 WeakPolarHBondContact O-CB 3.45Å; V821-S825 PolarHBondContact O-N 2.6Å; V821-S825 PolarHBondContact O-OG 2.68Å; Y822-S825 PolarHBondContact O-N 3.12Å; S825-P828 WeakPolarHBondContact O-CD 3.42Å
826	V	89.3	Confident	81.1	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-85.3	-22.2	-177.4	79.3	0	0	0	0	113	Y822 V829 L830 A847	Y822-V826 WeakPolarHBondContact O-CB 3.38Å; Y822-V826 WeakPolarHBondContact O-CG1 3.42Å; Y822-V826 PolarHBondContact O-N 2.94Å; V826-V829 WeakPolarHBondContact O-CB 3.45Å; V826-V829 PolarHBondContact O-N 3.41Å; V826-L830 HydrophobicContact CB-CD1 4.47Å; V826-L830 HydrophobicContact CG1-CD1 3.89Å; V826-L830 HydrophobicContact CG2-CD1 4Å; V826-L830 HydrophobicContact CG2-CG 4.08Å; V826-L830 WeakPolarHBondContact O-CG 3.36Å; V826-L830 PolarHBondContact O-N 2.86Å; V826-A847 HydrophobicContact CG2-CB 3.61Å
827	K	89.9	Confident	78.8	Confident	37 Å²	37	59.2 Å²	59.2	16%	0.161	31%	0.309	C	S	.	.	H	α-helix	trans	-52.3	-43.4	179.5	-86.9	168.3	-160.4	179.3	0	114.7	F756 L823 E824 K831	F756-K827 HydrophobicContact CE2-CG 3.85Å; F756-K827 HydrophobicContact CZ-CG 3.79Å; L823-K827 WeakPolarHBondContact O-CG 3.3Å; L823-K827 PolarHBondContact O-N 3.13Å; E824-K827 IonicContact OE1-NZ 3.27Å; E824-K827 PolarHBondContact OE1-NZ 3.15Å; E824-K827 IonicContact OE2-NZ 3.77Å; E824-K827 PolarHBondContact OE2-NZ 2.72Å; K827-K831 VanDerWaalsContact O-CG 3.31Å; K827-K831 WeakPolarHBondContact O-CG 3.41Å; K827-K831 PolarHBondContact O-N 2.96Å
828	P	85.6	Confident	76.5	Confident	49 Å²	49	65.2 Å²	65.2	32%	0.318	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-40.6	175.9	-21.8	34.6	0	0	0	112.6	S825 L830 K831 T960	S825-P828 WeakPolarHBondContact O-CD 3.42Å; P828-L830 VanDerWaalsContact C-N 3.29Å; P828-L830 PolarHBondContact O-N 2.96Å; P828-K831 PolarHBondContact O-N 3.19Å; P828-K831 VanDerWaalsContact O-N 3.16Å; P828-T960 HydrophobicContact CG-CG2 3.72Å
829	V	82.6	Confident	74.3	Confident	26 Å²	26	73.2 Å²	73.2	16%	0.158	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-43.1	178.2	-176.6	0	0	0	0	110.4	V826 K831 T843 K844	V826-V829 WeakPolarHBondContact O-CB 3.45Å; V826-V829 PolarHBondContact O-N 3.41Å; V829-K831 VanDerWaalsContact C-N 3.31Å; V829-K831 PolarHBondContact O-N 3.37Å; V829-T843 HydrophobicContact CG1-CG2 4.02Å; V829-K844 HydrophobicContact CG1-CG 4.37Å; V829-K844 VanDerWaalsContact O-CE 3.3Å; V829-K844 WeakPolarHBondContact O-CE 3.49Å
830	L	80.6	Confident	72.4	Confident	38 Å²	38	74.4 Å²	74.4	20%	0.199	39%	0.386	C	S	.	.	H	α-helix	trans	-75.4	-13.7	-179.2	-62.5	170.1	0	0	0	114.3	F756 V760 V826 P828 R848	F756-L830 HydrophobicContact CE1-CD1 4.41Å; F756-L830 HydrophobicContact CZ-CD1 4.09Å; V760-L830 HydrophobicContact CB-CD1 4.35Å; V760-L830 HydrophobicContact CG1-CD1 3.67Å; V760-L830 HydrophobicContact CG1-CD2 3.9Å; V760-L830 HydrophobicContact CG1-CG 4.41Å; V760-L830 HydrophobicContact CG2-CD1 3.67Å; V826-L830 HydrophobicContact CB-CD1 4.47Å; V826-L830 HydrophobicContact CG1-CD1 3.89Å; V826-L830 HydrophobicContact CG2-CD1 4Å; V826-L830 HydrophobicContact CG2-CG 4.08Å; V826-L830 WeakPolarHBondContact O-CG 3.36Å; V826-L830 PolarHBondContact O-N 2.86Å; P828-L830 VanDerWaalsContact C-N 3.29Å; P828-L830 PolarHBondContact O-N 2.96Å; L830-R848 HydrophobicContact CD2-CG 4.31Å
831	K	77.5	Confident	71.1	Confident	121 Å²	121	76.1 Å²	76.1	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-96.8	-9.2	-178.6	-79	178.6	-176.4	175.1	0	114.7	K827 P828 V829 N833	K827-K831 VanDerWaalsContact O-CG 3.31Å; K827-K831 WeakPolarHBondContact O-CG 3.41Å; K827-K831 PolarHBondContact O-N 2.96Å; P828-K831 PolarHBondContact O-N 3.19Å; P828-K831 VanDerWaalsContact O-N 3.16Å; V829-K831 VanDerWaalsContact C-N 3.31Å; V829-K831 PolarHBondContact O-N 3.37Å; K831-N833 PolarHBondContact O-N 3.34Å
832	Q	64.9	Low	70.1	Confident	117 Å²	117	80.9 Å²	80.9	55%	0.547	43%	0.426	S	S	.	.			trans	-66.8	130.5	179.7	-71.5	175.5	-14.7	0	0	110.2	K844	Q832-K844 PolarHBondContact O-NZ 3.26Å
833	N	51.5	Low	69.3	Low	145 Å²	145	83 Å²	83	78%	0.775	44%	0.439	S	S	*	.			trans	-70.9	158.9	-178.5	-76.3	-14.9	0	0	0	112.4	K831 G835	K831-N833 PolarHBondContact O-N 3.34Å; N833-G835 PolarHBondContact O-N 3.32Å
834	E	47.6	Very low	68.7	Low	188 Å²	188	83.6 Å²	83.6	88%	0.879	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	10.9	-176.1	-62.1	-173.5	155.7	0	0	116.2
835	G	45.8	Very low	68.3	Low	65 Å²	65	84.4 Å²	84.4	67%	0.67	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-20.9	-174.3	0	0	0	0	0	116.2	N833	N833-G835 PolarHBondContact O-N 3.32Å
836	D	43.4	Very low	68.1	Low	132 Å²	132	85.5 Å²	85.5	71%	0.706	45%	0.449	S	S	*	.	S	Bend	trans	-103.5	98.8	-178.8	-77.7	-33.3	0	0	0	110.5	S840	D836-S840 PolarHBondContact O-OG 3.26Å
837	K	47.1	Very low	68.1	Low	188 Å²	188	85.4 Å²	85.4	82%	0.817	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	142.9	-167.5	-67.5	-177.1	176.7	-178.2	0	113.5	H839	K837-H839 PolarHBondContact O-N 3.05Å
838	D	48.1	Very low	68.1	Low	137 Å²	137	88 Å²	88	73%	0.733	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-59.8	174.8	-64.8	-14	0	0	0	119.8	S840	D838-S840 PolarHBondContact O-N 2.93Å
839	H	49.9	Very low	68.3	Low	168 Å²	168	86.3 Å²	86.3	78%	0.778	45%	0.446	S	S	*	.	H	α-helix	trans	-73.8	-28.4	-175.4	-87.2	-49.4	0	0	0	114.6	K837 S841 T843	K837-H839 PolarHBondContact O-N 3.05Å; H839-S841 VanDerWaalsContact C-N 3.35Å; H839-T843 PolarHBondContact O-OG1 2.8Å
840	S	57.3	Low	68.9	Low	25 Å²	25	85 Å²	85	18%	0.175	44%	0.439	C	S	.	.	H	α-helix	trans	-77.3	-19.3	-179.6	84.1	0	0	0	0	113.8	D836 D838 K844	D836-S840 PolarHBondContact O-OG 3.26Å; D838-S840 PolarHBondContact O-N 2.93Å; S840-K844 WeakPolarHBondContact O-CD 3.44Å; S840-K844 VanDerWaalsContact O-CG 3.29Å; S840-K844 WeakPolarHBondContact O-CG 3.49Å; S840-K844 PolarHBondContact O-N 3.12Å
841	S	64.6	Low	69.5	Low	73 Å²	73	83.3 Å²	83.3	51%	0.51	43%	0.429	S	S	.	.	H	α-helix	trans	-76.5	-46.5	-177.1	-171	0	0	0	0	111.8	H839 T843 K844 Q845	H839-S841 VanDerWaalsContact C-N 3.35Å; S841-T843 PolarHBondContact O-N 3.06Å; S841-K844 PolarHBondContact O-N 3.41Å; S841-Q845 PolarHBondContact O-N 2.86Å; S841-Q845 VanDerWaalsContact O-N 3.09Å
842	N	73.4	Confident	70.3	Confident	119 Å²	119	77.7 Å²	77.7	64%	0.636	41%	0.405	S	S	*	.	H	α-helix	trans	-64	-42.1	-179.7	-74.1	-11.1	0	0	0	112.3	K844 Q845 E846	N842-K844 PolarHBondContact O-N 3.15Å; N842-Q845 PolarHBondContact O-N 2.96Å; N842-E846 WeakPolarHBondContact O-CB 3.43Å; N842-E846 PolarHBondContact O-N 3.25Å
843	T	77.8	Confident	71.7	Confident	45 Å²	45	72.7 Å²	72.7	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-37.9	177.5	-54.2	0	0	0	0	112.6	V829 H839 S841 A847	V829-T843 HydrophobicContact CG1-CG2 4.02Å; H839-T843 PolarHBondContact O-OG1 2.8Å; S841-T843 PolarHBondContact O-N 3.06Å; T843-A847 WeakPolarHBondContact O-CB 3.23Å; T843-A847 PolarHBondContact O-N 2.96Å
844	K	82.9	Confident	73.8	Confident	23 Å²	23	65.8 Å²	65.8	10%	0.1	35%	0.345	C	S	.	.	H	α-helix	trans	-67.2	-39.7	175.2	-72.5	172.6	-163.8	168	0	111.5	V829 Q832 S840 S841 N842 R848	V829-K844 HydrophobicContact CG1-CG 4.37Å; V829-K844 VanDerWaalsContact O-CE 3.3Å; V829-K844 WeakPolarHBondContact O-CE 3.49Å; Q832-K844 PolarHBondContact O-NZ 3.26Å; S840-K844 WeakPolarHBondContact O-CD 3.44Å; S840-K844 VanDerWaalsContact O-CG 3.29Å; S840-K844 WeakPolarHBondContact O-CG 3.49Å; S840-K844 PolarHBondContact O-N 3.12Å; S841-K844 PolarHBondContact O-N 3.41Å; N842-K844 PolarHBondContact O-N 3.15Å; K844-R848 WeakPolarHBondContact O-CB 3.49Å; K844-R848 WeakPolarHBondContact O-CD 3.44Å; K844-R848 WeakPolarHBondContact O-CG 3.39Å; K844-R848 PolarHBondContact O-N 3.4Å
845	Q	83.6	Confident	76.2	Confident	68 Å²	68	56.9 Å²	56.9	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-68.9	-39.4	179.1	-171.4	60.9	15	0	0	112.3	S841 N842 R848 T849	S841-Q845 PolarHBondContact O-N 2.86Å; S841-Q845 VanDerWaalsContact O-N 3.09Å; N842-Q845 PolarHBondContact O-N 2.96Å; Q845-R848 PolarHBondContact O-N 3.07Å; Q845-T849 WeakPolarHBondContact O-CB 3.45Å; Q845-T849 PolarHBondContact O-N 3.41Å; Q845-T849 PolarHBondContact O-OG1 3.38Å
846	E	87	Confident	78.5	Confident	29 Å²	29	54.6 Å²	54.6	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-53.9	171.8	-175.6	-171	167.1	0	0	110.7	P775 L776 N777 E780 N842 R848 T849 V850	P775-E846 WeakPolarHBondContact CA-OE1 3.39Å; L776-E846 PolarHBondContact N-OE1 3.25Å; N777-E846 PolarHBondContact N-OE1 3.28Å; N777-E846 VanDerWaalsContact N-OE1 3.13Å; N777-E846 PolarHBondContact ND2-OE2 3.43Å; E780-E846 HydrophobicContact CG-CG 4.27Å; N842-E846 WeakPolarHBondContact O-CB 3.43Å; N842-E846 PolarHBondContact O-N 3.25Å; E846-R848 VanDerWaalsContact C-N 3.3Å; E846-R848 PolarHBondContact O-N 2.96Å; E846-T849 PolarHBondContact O-N 3.26Å; E846-T849 VanDerWaalsContact O-N 3.08Å; E846-V850 HydrophobicContact CG-CG2 4.47Å; E846-V850 WeakPolarHBondContact O-CG2 3.33Å; E846-V850 PolarHBondContact O-N 2.99Å
847	A	89.1	Confident	81.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-39.2	179.8	0	0	0	0	0	113.2	Y822 V826 T843 L851	Y822-A847 PolarHBondContact OH-O 2.63Å; V826-A847 HydrophobicContact CG2-CB 3.61Å; T843-A847 WeakPolarHBondContact O-CB 3.23Å; T843-A847 PolarHBondContact O-N 2.96Å; A847-L851 WeakPolarHBondContact O-CB 3.35Å; A847-L851 PolarHBondContact O-N 3.06Å
848	R	89.7	Confident	83.5	Confident	91 Å²	91	40.5 Å²	40.5	34%	0.343	21%	0.211	S	C	.	.	H	α-helix	trans	-60.6	-48.4	173	-80.3	167.9	170.4	163.5	2.9	111.7	V760 L830 K844 Q845 E846 L851 Y852	V760-R848 HydrophobicContact CG1-CG 3.63Å; V760-R848 PolarHBondContact O-NE 3.4Å; L830-R848 HydrophobicContact CD2-CG 4.31Å; K844-R848 WeakPolarHBondContact O-CB 3.49Å; K844-R848 WeakPolarHBondContact O-CD 3.44Å; K844-R848 WeakPolarHBondContact O-CG 3.39Å; K844-R848 PolarHBondContact O-N 3.4Å; Q845-R848 PolarHBondContact O-N 3.07Å; E846-R848 VanDerWaalsContact C-N 3.3Å; E846-R848 PolarHBondContact O-N 2.96Å; R848-L851 PolarHBondContact O-N 3.18Å; R848-Y852 WeakPolarHBondContact O-CB 3.22Å; R848-Y852 PolarHBondContact O-N 3.19Å
849	T	90.3	Very high	85.9	Confident	13 Å²	13	34 Å²	34	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-66	-47.8	-177.2	-59.4	0	0	0	0	111.2	V767 T773 Q845 E846 L851 Y852 H853	V767-T849 HydrophobicContact CG1-CG2 3.63Å; T773-T849 HydrophobicContact CG2-CG2 3.7Å; T773-T849 WeakPolarHBondContact OG1-CG2 3.04Å; Q845-T849 WeakPolarHBondContact O-CB 3.45Å; Q845-T849 PolarHBondContact O-N 3.41Å; Q845-T849 PolarHBondContact O-OG1 3.38Å; E846-T849 PolarHBondContact O-N 3.26Å; E846-T849 VanDerWaalsContact O-N 3.08Å; T849-L851 PolarHBondContact O-N 3.11Å; T849-Y852 PolarHBondContact O-N 3.26Å; T849-H853 PolarHBondContact O-CD2 3.45Å; T849-H853 VanDerWaalsContact O-CD2 3.26Å; T849-H853 PolarHBondContact O-N 3.35Å
850	V	93.7	Very high	88.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-43.7	176.3	170.8	0	0	0	0	111.1	T773 P775 E780 I783 Y822 E846 H853 C854	T773-V850 HydrophobicContact CG2-CG2 4.08Å; P775-V850 HydrophobicContact CB-CG2 4.37Å; E780-V850 HydrophobicContact CB-CG1 4.47Å; E780-V850 HydrophobicContact CB-CG2 4.21Å; E780-V850 HydrophobicContact CG-CB 4.4Å; E780-V850 HydrophobicContact CG-CG1 4.48Å; E780-V850 HydrophobicContact CG-CG2 4.21Å; I783-V850 HydrophobicContact CG2-CG1 3.67Å; Y822-V850 WeakPolarHBondContact OH-CG1 3.49Å; E846-V850 HydrophobicContact CG-CG2 4.47Å; E846-V850 WeakPolarHBondContact O-CG2 3.33Å; E846-V850 PolarHBondContact O-N 2.99Å; V850-H853 PolarHBondContact O-N 3.13Å; V850-C854 VanDerWaalsContact O-CB 3.31Å; V850-C854 WeakPolarHBondContact O-CB 3.41Å; V850-C854 PolarHBondContact O-N 3.44Å; V850-C854 PolarHBondContact O-SG 3.14Å
851	L	94.1	Very high	90.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-46.1	177.2	176.4	57.8	0	0	0	111.8	F756 T757 V760 L818 Y822 L823 A847 R848 T849 C854 V855	F756-L851 HydrophobicContact CD1-CD2 4.16Å; F756-L851 HydrophobicContact CE1-CD2 3.92Å; T757-L851 HydrophobicContact CG2-CD2 4.29Å; T757-L851 HydrophobicContact CG2-CG 4.03Å; V760-L851 HydrophobicContact CB-CD2 4.45Å; V760-L851 HydrophobicContact CG1-CD2 4.19Å; L818-L851 HydrophobicContact CD1-CD1 3.98Å; Y822-L851 HydrophobicContact CD1-CD1 4.45Å; Y822-L851 HydrophobicContact CE1-CB 4.13Å; Y822-L851 HydrophobicContact CE1-CD1 4.21Å; L823-L851 HydrophobicContact CD2-CD1 3.47Å; L823-L851 VanDerWaalsContact CD2-CD1 3.47Å; L823-L851 HydrophobicContact CD2-CD2 4.06Å; L823-L851 HydrophobicContact CD2-CG 4.44Å; A847-L851 WeakPolarHBondContact O-CB 3.35Å; A847-L851 PolarHBondContact O-N 3.06Å; R848-L851 PolarHBondContact O-N 3.18Å; T849-L851 PolarHBondContact O-N 3.11Å; L851-C854 PolarHBondContact O-N 2.91Å; L851-V855 HydrophobicContact CD1-CG2 3.96Å; L851-V855 WeakPolarHBondContact O-CG2 3.43Å; L851-V855 PolarHBondContact O-N 3.45Å
852	Y	93.9	Very high	91.8	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-56.5	-52.2	177.9	174.1	-91.7	0	0	0	111.3	V761 V767 R848 T849 V855 S856 L877 F880 R881	V761-Y852 HydrophobicContact CG2-CD2 4.46Å; V767-Y852 HydrophobicContact CB-CD1 4.03Å; V767-Y852 HydrophobicContact CB-CE1 4.39Å; V767-Y852 HydrophobicContact CB-CG 4.22Å; V767-Y852 HydrophobicContact CG1-CD1 3.8Å; V767-Y852 HydrophobicContact CG1-CG 4.08Å; V767-Y852 HydrophobicContact CG2-CD1 4.13Å; V767-Y852 HydrophobicContact CG2-CD2 4.01Å; V767-Y852 HydrophobicContact CG2-CG 3.8Å; R848-Y852 WeakPolarHBondContact O-CB 3.22Å; R848-Y852 PolarHBondContact O-N 3.19Å; T849-Y852 PolarHBondContact O-N 3.26Å; Y852-V855 PolarHBondContact O-N 3.31Å; Y852-S856 VanDerWaalsContact O-CB 3.3Å; Y852-S856 WeakPolarHBondContact O-CB 3.36Å; Y852-S856 PolarHBondContact O-N 3.07Å; Y852-L877 HydrophobicContact CD2-CD2 4.01Å; Y852-L877 HydrophobicContact CE2-CB 4.11Å; Y852-L877 HydrophobicContact CE2-CD2 3.84Å; Y852-L877 HydrophobicContact CE2-CG 4.47Å; Y852-L877 PolarHBondContact OH-O 3.41Å; Y852-F880 HydrophobicContact CD2-CB 4.37Å; Y852-F880 HydrophobicContact CE2-CB 3.75Å; Y852-R881 WeakPolarHBondContact OH-CA 3.45Å; Y852-R881 WeakPolarHBondContact OH-CB 3.26Å; Y852-R881 PolarHBondContact OH-N 3.14Å
853	H	94.3	Very high	92.9	Very high	13 Å²	13	16.1 Å²	16.1	6%	0.06	8%	0.079	C	C	.	.	H	α-helix	trans	-66.7	-40.3	-178.7	-73.3	-53.9	0	0	0	112.3	G768 L770 T773 T849 V850 V855 S856 L857 W904	G768-H853 PolarHBondContact O-CE1 3.19Å; G768-H853 PolarHBondContact O-NE2 3.15Å; L770-H853 HydrophobicContact CD1-CB 4.13Å; T773-H853 PolarHBondContact OG1-NE2 3.18Å; T849-H853 PolarHBondContact O-CD2 3.45Å; T849-H853 VanDerWaalsContact O-CD2 3.26Å; T849-H853 PolarHBondContact O-N 3.35Å; V850-H853 PolarHBondContact O-N 3.13Å; H853-V855 VanDerWaalsContact C-N 3.31Å; H853-V855 PolarHBondContact O-N 3.35Å; H853-S856 PolarHBondContact O-N 3.4Å; H853-L857 VanDerWaalsContact O-CB 3.27Å; H853-L857 WeakPolarHBondContact O-CB 3.39Å; H853-L857 VanDerWaalsContact O-CG 3.28Å; H853-L857 WeakPolarHBondContact O-CG 3.43Å; H853-L857 PolarHBondContact O-N 3.05Å; H853-W904 HydrophobicContact CB-CH2 3.61Å; H853-W904 HydrophobicContact CB-CZ2 4.49Å; H853-W904 HydrophobicContact CB-CZ3 4.42Å
854	C	96.6	Very high	93.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.6	-44.2	174.7	-74.4	0	0	0	0	111.9	L818 V850 L851 S858	L818-C854 HydrophobicContact CD1-CB 4.37Å; V850-C854 VanDerWaalsContact O-CB 3.31Å; V850-C854 WeakPolarHBondContact O-CB 3.41Å; V850-C854 PolarHBondContact O-N 3.44Å; V850-C854 PolarHBondContact O-SG 3.14Å; L851-C854 PolarHBondContact O-N 2.91Å; C854-S858 WeakPolarHBondContact O-CB 3.41Å; C854-S858 PolarHBondContact O-N 3.32Å; C854-S858 PolarHBondContact O-OG 2.93Å
855	V	97.3	Very high	94.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.3	-49.9	177.7	174.1	0	0	0	0	110.6	T753 L754 T757 W814 L818 L851 Y852 H853 S858 L859 L877	T753-V855 HydrophobicContact CG2-CG2 4.24Å; L754-V855 HydrophobicContact CD1-CG1 4.39Å; T757-V855 HydrophobicContact CG2-CG2 4.34Å; W814-V855 HydrophobicContact CH2-CG1 4.04Å; L818-V855 HydrophobicContact CD2-CG2 4.12Å; L851-V855 HydrophobicContact CD1-CG2 3.96Å; L851-V855 WeakPolarHBondContact O-CG2 3.43Å; L851-V855 PolarHBondContact O-N 3.45Å; Y852-V855 PolarHBondContact O-N 3.31Å; H853-V855 VanDerWaalsContact C-N 3.31Å; H853-V855 PolarHBondContact O-N 3.35Å; V855-S858 PolarHBondContact O-N 2.87Å; V855-L859 HydrophobicContact CG1-CD1 4.21Å; V855-L859 HydrophobicContact CG1-CG 4.47Å; V855-L859 WeakPolarHBondContact O-CG 3.47Å; V855-L859 PolarHBondContact O-N 2.83Å; V855-L877 HydrophobicContact CG1-CD1 3.95Å
856	S	95.1	Very high	95.4	Very high	18 Å²	18	9.7 Å²	9.7	13%	0.126	5%	0.046	C	C	.	.	H	α-helix	trans	-59.7	-50	-176.9	-174.3	0	0	0	0	112.5	Y852 H853 S858 L859 A860	Y852-S856 VanDerWaalsContact O-CB 3.3Å; Y852-S856 WeakPolarHBondContact O-CB 3.36Å; Y852-S856 PolarHBondContact O-N 3.07Å; H853-S856 PolarHBondContact O-N 3.4Å; S856-S858 PolarHBondContact O-N 3.41Å; S856-L859 PolarHBondContact O-N 2.68Å; S856-A860 PolarHBondContact O-N 3.5Å
857	L	96.6	Very high	95.9	Very high	24 Å²	24	8.3 Å²	8.3	13%	0.126	4%	0.04	C	C	.	.	H	α-helix	trans	-63.6	-42.1	177.5	-68	170.8	0	0	0	111.2	L770 L787 H853 L859 A860 L861 P896 L901 W904	L770-L857 HydrophobicContact CD1-CD1 3.95Å; L770-L857 HydrophobicContact CD2-CD1 4.21Å; L770-L857 HydrophobicContact CD2-CD2 4.19Å; L787-L857 HydrophobicContact CD2-CB 4.14Å; L787-L857 HydrophobicContact CD2-CD1 3.76Å; H853-L857 VanDerWaalsContact O-CB 3.27Å; H853-L857 WeakPolarHBondContact O-CB 3.39Å; H853-L857 VanDerWaalsContact O-CG 3.28Å; H853-L857 WeakPolarHBondContact O-CG 3.43Å; H853-L857 PolarHBondContact O-N 3.05Å; L857-L859 VanDerWaalsContact C-N 3.33Å; L857-L859 PolarHBondContact O-N 3.23Å; L857-A860 WeakPolarHBondContact O-CB 3.44Å; L857-A860 PolarHBondContact O-N 3.17Å; L857-A860 VanDerWaalsContact O-N 3.16Å; L857-L861 WeakPolarHBondContact O-CG 3.5Å; L857-L861 PolarHBondContact O-N 2.97Å; L857-P896 HydrophobicContact CB-CG 4.39Å; L857-P896 HydrophobicContact CD2-CB 4.13Å; L857-P896 HydrophobicContact CD2-CG 3.97Å; L857-L901 HydrophobicContact CD1-CD1 4.34Å; L857-L901 HydrophobicContact CD1-CD2 3.85Å; L857-W904 HydrophobicContact CD1-CZ3 4.07Å
858	S	98.1	Very high	96.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.6	-40.5	177.1	-63.2	0	0	0	0	112.2	F813 C854 V855 S856 A860 L861 F862	F813-S858 WeakPolarHBondContact CE1-OG 3.41Å; C854-S858 WeakPolarHBondContact O-CB 3.41Å; C854-S858 PolarHBondContact O-N 3.32Å; C854-S858 PolarHBondContact O-OG 2.93Å; V855-S858 PolarHBondContact O-N 2.87Å; S856-S858 PolarHBondContact O-N 3.41Å; S858-A860 VanDerWaalsContact C-N 3.28Å; S858-A860 PolarHBondContact O-N 2.8Å; S858-L861 WeakPolarHBondContact O-CB 3.41Å; S858-L861 PolarHBondContact O-N 2.95Å; S858-L861 VanDerWaalsContact O-N 3.09Å; S858-F862 WeakPolarHBondContact O-CD2 3.32Å; S858-F862 PolarHBondContact O-N 3.24Å
859	L	98.4	Very high	96.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-59.7	-40	176	-68.4	173.4	0	0	0	111.8	M750 W814 V855 S856 L857 F862 S863 T870 L873 W874 L877	M750-L859 HydrophobicContact CE-CD2 3.79Å; W814-L859 HydrophobicContact CH2-CD2 3.92Å; W814-L859 HydrophobicContact CH2-CG 4.37Å; W814-L859 HydrophobicContact CZ3-CD2 4.14Å; W814-L859 HydrophobicContact CZ3-CG 4.4Å; V855-L859 HydrophobicContact CG1-CD1 4.21Å; V855-L859 HydrophobicContact CG1-CG 4.47Å; V855-L859 WeakPolarHBondContact O-CG 3.47Å; V855-L859 PolarHBondContact O-N 2.83Å; S856-L859 PolarHBondContact O-N 2.68Å; L857-L859 VanDerWaalsContact C-N 3.33Å; L857-L859 PolarHBondContact O-N 3.23Å; L859-F862 PolarHBondContact O-N 3.23Å; L859-S863 PolarHBondContact O-N 3.04Å; L859-T870 HydrophobicContact CD2-CG2 4.23Å; L859-T870 WeakPolarHBondContact O-CG2 3.48Å; L859-L873 HydrophobicContact CD1-CB 3.76Å; L859-L873 HydrophobicContact CD2-CB 3.9Å; L859-L873 HydrophobicContact CD2-CD1 3.84Å; L859-W874 HydrophobicContact CD1-CB 4.19Å; L859-L877 HydrophobicContact CD1-CD1 3.68Å
860	A	97.6	Very high	97.2	Very high	7 Å²	7	3.5 Å²	3.5	6%	0.058	2%	0.02	C	C	.	.	H	α-helix	trans	-63.8	-41	173.2	0	0	0	0	0	112	M171 S856 L857 S858 F862 S863 L890 P896	M171-A860 HydrophobicContact CE-CB 4.13Å; S856-A860 PolarHBondContact O-N 3.5Å; L857-A860 WeakPolarHBondContact O-CB 3.44Å; L857-A860 PolarHBondContact O-N 3.17Å; L857-A860 VanDerWaalsContact O-N 3.16Å; S858-A860 VanDerWaalsContact C-N 3.28Å; S858-A860 PolarHBondContact O-N 2.8Å; A860-F862 VanDerWaalsContact C-N 3.34Å; A860-F862 PolarHBondContact O-N 3.29Å; A860-S863 WeakPolarHBondContact O-CB 3.45Å; A860-S863 PolarHBondContact O-N 2.81Å; A860-L890 HydrophobicContact CB-CD1 3.99Å; A860-P896 HydrophobicContact CB-CG 3.81Å
861	L	98.6	Very high	97.4	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-63	-37.4	175.5	-65	172.5	0	0	0	113.3	L787 V791 L810 L857 S858 P864 Y895 P896	L787-L861 HydrophobicContact CD1-CD1 4.1Å; V791-L861 HydrophobicContact CG2-CD1 3.79Å; V791-L861 HydrophobicContact CG2-CD2 4.12Å; L810-L861 HydrophobicContact CD1-CB 4.49Å; L810-L861 HydrophobicContact CD2-CB 3.5Å; L810-L861 HydrophobicContact CD2-CD1 3.9Å; L810-L861 HydrophobicContact CD2-CG 4.28Å; L857-L861 WeakPolarHBondContact O-CG 3.5Å; L857-L861 PolarHBondContact O-N 2.97Å; S858-L861 WeakPolarHBondContact O-CB 3.41Å; S858-L861 PolarHBondContact O-N 2.95Å; S858-L861 VanDerWaalsContact O-N 3.09Å; L861-P864 WeakPolarHBondContact O-CD 3.4Å; L861-Y895 HydrophobicContact CD2-CD1 4.35Å; L861-Y895 HydrophobicContact CD2-CE1 3.54Å; L861-Y895 HydrophobicContact CD2-CE2 4.22Å; L861-Y895 VanDerWaalsContact CD2-CZ 3.45Å; L861-Y895 VanDerWaalsContact CD2-OH 3.31Å; L861-Y895 WeakPolarHBondContact CD2-OH 3.27Å; L861-Y895 PolarHBondContact O-OH 3.39Å; L861-P896 HydrophobicContact CD2-CB 3.95Å; L861-P896 HydrophobicContact CD2-CG 3.97Å; L861-P896 HydrophobicContact CG-CB 4.38Å; L861-P896 HydrophobicContact CG-CG 4.08Å
862	F	98.7	Very high	97.5	Very high	1 Å²	1	3.5 Å²	3.5	0%	0.004	2%	0.02	C	C	.	.	H	α-helix	trans	-75.7	-22.3	177.5	-83.9	-75.3	0	0	0	113.6	F721 F746 M750 L810 W814 S858 L859 A860 P864 F865 M866 T870	F721-F862 HydrophobicContact CD2-CD1 4.45Å; F721-F862 AromaticContact CE2-CD1 3.76Å; F721-F862 HydrophobicContact CE2-CD1 3.76Å; F721-F862 AromaticContact CE2-CE1 3.62Å; F721-F862 HydrophobicContact CE2-CE1 3.62Å; F721-F862 HydrophobicContact CZ-CD1 4.48Å; F721-F862 AromaticContact CZ-CE1 3.88Å; F721-F862 HydrophobicContact CZ-CE1 3.88Å; F746-F862 AromaticContact CE1-CE1 3.72Å; F746-F862 HydrophobicContact CE1-CE1 3.72Å; F746-F862 AromaticContact CE1-CZ 3.92Å; F746-F862 HydrophobicContact CE1-CZ 3.92Å; F746-F862 AromaticContact CZ-CE1 3.93Å; F746-F862 HydrophobicContact CZ-CE1 3.93Å; F746-F862 AromaticContact CZ-CZ 3.63Å; F746-F862 HydrophobicContact CZ-CZ 3.63Å; M750-F862 HydrophobicContact CE-CB 4.4Å; M750-F862 HydrophobicContact CE-CD2 3.89Å; M750-F862 HydrophobicContact CE-CE2 4.31Å; M750-F862 HydrophobicContact CE-CG 4.06Å; L810-F862 VanDerWaalsContact C-CZ 3.48Å; L810-F862 HydrophobicContact CB-CD1 4.11Å; L810-F862 HydrophobicContact CB-CE1 3.52Å; L810-F862 HydrophobicContact CB-CE2 4.06Å; L810-F862 HydrophobicContact CB-CZ 3.49Å; L810-F862 VanDerWaalsContact CB-CZ 3.49Å; L810-F862 HydrophobicContact CD1-CD1 4.03Å; L810-F862 HydrophobicContact CD1-CE1 4.29Å; L810-F862 HydrophobicContact CD1-CG 4.31Å; L810-F862 WeakPolarHBondContact O-CZ 3.25Å; W814-F862 HydrophobicContact CB-CE2 4Å; W814-F862 HydrophobicContact CB-CZ 4Å; W814-F862 HydrophobicContact CD2-CE2 4.19Å; W814-F862 HydrophobicContact CE3-CD2 4.18Å; W814-F862 AromaticContact CE3-CE2 3.68Å; W814-F862 HydrophobicContact CE3-CE2 3.68Å; W814-F862 HydrophobicContact CG-CE2 4.36Å; W814-F862 HydrophobicContact CZ3-CE2 4.46Å; S858-F862 WeakPolarHBondContact O-CD2 3.32Å; S858-F862 PolarHBondContact O-N 3.24Å; L859-F862 PolarHBondContact O-N 3.23Å; A860-F862 VanDerWaalsContact C-N 3.34Å; A860-F862 PolarHBondContact O-N 3.29Å; F862-P864 VanDerWaalsContact C-CD 3.42Å; F862-P864 VanDerWaalsContact C-N 3.35Å; F862-F865 PolarHBondContact O-N 3.48Å; F862-M866 HydrophobicContact CD1-SD 3.95Å; F862-M866 HydrophobicContact CE1-SD 4.41Å; F862-M866 PolarHBondContact O-N 3.36Å; F862-T870 HydrophobicContact CB-CG2 3.52Å
863	S	98.3	Very high	97.7	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.007	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.1	-170.9	-167.3	0	0	0	0	115.4	L859 A860 F865 P867 T870	L859-S863 PolarHBondContact O-N 3.04Å; A860-S863 WeakPolarHBondContact O-CB 3.45Å; A860-S863 PolarHBondContact O-N 2.81Å; S863-F865 PolarHBondContact O-N 3.05Å; S863-P867 WeakPolarHBondContact O-CA 3.5Å; S863-T870 WeakPolarHBondContact CA-OG1 3.25Å; S863-T870 PolarHBondContact OG-OG1 2.66Å
864	P	98.6	Very high	97.7	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.4	173.6	-28.4	37.6	0	0	0	114.6	A164 R167 W168 M171 R720 F798 L861 F862 Y895	A164-P864 WeakPolarHBondContact CA-O 3.24Å; A164-P864 HydrophobicContact CB-CB 4.24Å; R167-P864 HydrophobicContact CB-CB 4.18Å; R167-P864 HydrophobicContact CB-CG 4.44Å; W168-P864 HydrophobicContact CB-CG 4.24Å; M171-P864 HydrophobicContact SD-CG 4.43Å; R720-P864 PolarHBondContact NH2-O 3.41Å; F798-P864 HydrophobicContact CZ-CB 4.12Å; F798-P864 HydrophobicContact CZ-CG 4.25Å; L861-P864 WeakPolarHBondContact O-CD 3.4Å; F862-P864 VanDerWaalsContact C-CD 3.42Å; F862-P864 VanDerWaalsContact C-N 3.35Å; P864-Y895 HydrophobicContact CG-CD2 4.41Å; P864-Y895 HydrophobicContact CG-CE2 3.82Å
865	F	98.7	Very high	97.6	Very high	1 Å²	1	3.2 Å²	3.2	0%	0.004	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-36.1	-176.2	-57.1	-76.8	0	0	0	113.1	A164 R720 F721 C724 F798 L803 V806 T807 L810 F862 S863 P867	A164-F865 HydrophobicContact CB-CD1 3.91Å; A164-F865 HydrophobicContact CB-CE1 3.72Å; A164-F865 HydrophobicContact CB-CZ 4.36Å; R720-F865 VanDerWaalsContact CB-O 3.27Å; R720-F865 WeakPolarHBondContact CB-O 3.18Å; R720-F865 PolarHBondContact NE-O 3.22Å; F721-F865 HydrophobicContact CD2-CB 3.77Å; F721-F865 HydrophobicContact CD2-CG 4.4Å; F721-F865 HydrophobicContact CE2-CB 4.38Å; C724-F865 HydrophobicContact CB-CD1 3.69Å; C724-F865 HydrophobicContact CB-CE1 3.87Å; F798-F865 HydrophobicContact CE1-CE2 4.31Å; F798-F865 AromaticContact CE1-CZ 3.82Å; F798-F865 HydrophobicContact CE1-CZ 3.82Å; F798-F865 HydrophobicContact CE2-CE2 4.13Å; F798-F865 HydrophobicContact CE2-CZ 4.32Å; F798-F865 AromaticContact CZ-CE2 3.49Å; F798-F865 HydrophobicContact CZ-CE2 3.49Å; F798-F865 VanDerWaalsContact CZ-CE2 3.49Å; F798-F865 AromaticContact CZ-CZ 3.46Å; F798-F865 HydrophobicContact CZ-CZ 3.46Å; F798-F865 VanDerWaalsContact CZ-CZ 3.46Å; L803-F865 HydrophobicContact CB-CE1 4.1Å; L803-F865 HydrophobicContact CB-CZ 4.46Å; L803-F865 HydrophobicContact CD1-CE1 4.37Å; L803-F865 HydrophobicContact CD2-CE1 4.22Å; L803-F865 HydrophobicContact CD2-CZ 4.13Å; L803-F865 HydrophobicContact CG-CE1 4.46Å; V806-F865 HydrophobicContact CB-CE2 4.14Å; V806-F865 HydrophobicContact CB-CZ 3.91Å; V806-F865 HydrophobicContact CG1-CE2 3.48Å; V806-F865 VanDerWaalsContact CG1-CE2 3.48Å; V806-F865 HydrophobicContact CG1-CZ 3.75Å; T807-F865 HydrophobicContact CG2-CD1 3.82Å; T807-F865 HydrophobicContact CG2-CD2 4.35Å; T807-F865 HydrophobicContact CG2-CE1 3.86Å; T807-F865 HydrophobicContact CG2-CE2 4.38Å; T807-F865 HydrophobicContact CG2-CG 4.07Å; T807-F865 HydrophobicContact CG2-CZ 4.14Å; L810-F865 HydrophobicContact CD1-CD2 4.16Å; L810-F865 HydrophobicContact CD1-CE2 4.17Å; F862-F865 PolarHBondContact O-N 3.48Å; S863-F865 PolarHBondContact O-N 3.05Å; F865-P867 VanDerWaalsContact C-CD 3.45Å; F865-P867 WeakPolarHBondContact O-CD 3.07Å
866	M	98.6	Very high	97.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.			trans	-126.8	61.7	-170.9	-58.4	-177.1	81.6	0	0	111.1	D717 F721 F746 C747 M750 F862 F868 I869 T870	D717-M866 HydrophobicContact CB-CB 3.83Å; D717-M866 HydrophobicContact CB-CE 3.83Å; D717-M866 HydrophobicContact CB-CG 4.07Å; D717-M866 WeakPolarHBondContact OD1-CA 3.43Å; F721-M866 HydrophobicContact CB-CG 3.99Å; F721-M866 HydrophobicContact CB-SD 4.17Å; F721-M866 HydrophobicContact CD2-CG 3.67Å; F721-M866 HydrophobicContact CD2-SD 3.58Å; F721-M866 VanDerWaalsContact CD2-SD 3.58Å; F721-M866 HydrophobicContact CE2-SD 4.15Å; F721-M866 HydrophobicContact CG-CG 4.19Å; F721-M866 HydrophobicContact CG-SD 3.96Å; F746-M866 HydrophobicContact CD1-CE 4.4Å; F746-M866 HydrophobicContact CD1-SD 4.45Å; F746-M866 HydrophobicContact CE1-SD 4.25Å; C747-M866 WeakPolarHBondContact SG-CE 3.01Å; M750-M866 HydrophobicContact SD-CE 4.23Å; M750-M866 HydrophobicContact SD-SD 4.12Å; F862-M866 HydrophobicContact CD1-SD 3.95Å; F862-M866 HydrophobicContact CE1-SD 4.41Å; F862-M866 PolarHBondContact O-N 3.36Å; M866-F868 VanDerWaalsContact C-N 3.34Å; M866-F868 PolarHBondContact O-N 2.96Å; M866-I869 HydrophobicContact CB-CG2 3.86Å; M866-I869 HydrophobicContact CE-CG2 4.1Å; M866-T870 HydrophobicContact CB-CG2 4.23Å; M866-T870 WeakPolarHBondContact O-CB 3.31Å; M866-T870 WeakPolarHBondContact O-CG2 3.21Å; M866-T870 PolarHBondContact O-N 3Å; M866-T870 PolarHBondContact O-OG1 3.12Å
867	P	98.3	Very high	97.2	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.006	2%	0.016	C	C	.	.	H	α-helix	trans	-63.4	-32.3	-167.8	26.2	-36.7	0	0	0	114.5	W116 R167 D717 S863 F865 T870 E871	W116-P867 HydrophobicContact CH2-CB 4.04Å; R167-P867 VanDerWaalsContact CZ-CB 3.48Å; D717-P867 WeakPolarHBondContact OD1-CD 3.47Å; S863-P867 WeakPolarHBondContact O-CA 3.5Å; F865-P867 VanDerWaalsContact C-CD 3.45Å; F865-P867 WeakPolarHBondContact O-CD 3.07Å; P867-T870 PolarHBondContact O-OG1 3.5Å; P867-E871 VanDerWaalsContact O-CB 3.25Å; P867-E871 WeakPolarHBondContact O-CB 3.5Å; P867-E871 PolarHBondContact O-N 3.13Å
868	F	98.6	Very high	96.7	Very high	4 Å²	4	3 Å²	3	2%	0.018	1%	0.014	C	C	.	.	H	α-helix	trans	-77.8	-52.2	-173	-65.4	-86.5	0	0	0	112.4	V108 E109 W112 Y113 W116 T716 D717 M866 T870 E871 E872	V108-F868 HydrophobicContact CG1-CB 4.17Å; E109-F868 HydrophobicContact CB-CD1 4.06Å; E109-F868 HydrophobicContact CB-CE1 4.41Å; E109-F868 HydrophobicContact CB-CG 4.33Å; E109-F868 HydrophobicContact CG-CB 3.87Å; E109-F868 HydrophobicContact CG-CD1 4.08Å; E109-F868 HydrophobicContact CG-CD2 4.23Å; E109-F868 HydrophobicContact CG-CG 3.82Å; W112-F868 HydrophobicContact CB-CD1 4.04Å; W112-F868 HydrophobicContact CB-CE1 4.39Å; Y113-F868 HydrophobicContact CD2-CZ 4.3Å; W116-F868 AromaticContact CH2-CD1 3.71Å; W116-F868 HydrophobicContact CH2-CD1 3.71Å; W116-F868 AromaticContact CH2-CE1 3.93Å; W116-F868 HydrophobicContact CH2-CE1 3.93Å; W116-F868 HydrophobicContact CH2-CG 4.12Å; W116-F868 HydrophobicContact CH2-CZ 4.5Å; W116-F868 AromaticContact CZ3-CD1 3.93Å; W116-F868 HydrophobicContact CZ3-CD1 3.93Å; W116-F868 AromaticContact CZ3-CE1 3.64Å; W116-F868 HydrophobicContact CZ3-CE1 3.64Å; W116-F868 AromaticContact CZ3-CZ 3.99Å; W116-F868 HydrophobicContact CZ3-CZ 3.99Å; T716-F868 HydrophobicContact CG2-CD2 4.08Å; T716-F868 HydrophobicContact CG2-CE2 3.67Å; D717-F868 PolarHBondContact OD1-N 2.83Å; D717-F868 VanDerWaalsContact OD1-N 3.08Å; D717-F868 WeakPolarHBondContact OD2-CB 3.19Å; M866-F868 VanDerWaalsContact C-N 3.34Å; M866-F868 PolarHBondContact O-N 2.96Å; F868-T870 VanDerWaalsContact C-N 3.32Å; F868-T870 PolarHBondContact O-N 3.49Å; F868-E871 PolarHBondContact O-N 3.21Å; F868-E872 WeakPolarHBondContact O-CB 3.43Å; F868-E872 PolarHBondContact O-N 3.2Å
869	I	98.3	Very high	96.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65.8	-37.6	179.2	-168.5	170.4	0	0	0	111.1	Y103 V108 D717 C747 M750 M866 E872 L873	Y103-I869 HydrophobicContact CD2-CD1 3.94Å; Y103-I869 HydrophobicContact CE2-CD1 3.85Å; Y103-I869 HydrophobicContact CE2-CG1 4.38Å; V108-I869 HydrophobicContact CG1-CB 4.22Å; D717-I869 HydrophobicContact CB-CG2 4.2Å; D717-I869 VanDerWaalsContact OD2-CB 3.28Å; D717-I869 WeakPolarHBondContact OD2-CB 3.49Å; D717-I869 VanDerWaalsContact OD2-CG2 3.24Å; D717-I869 WeakPolarHBondContact OD2-CG2 3.2Å; D717-I869 PolarHBondContact OD2-N 3.07Å; C747-I869 HydrophobicContact CB-CD1 3.65Å; C747-I869 WeakPolarHBondContact O-CD1 3.24Å; M750-I869 HydrophobicContact CB-CD1 4.26Å; M866-I869 HydrophobicContact CB-CG2 3.86Å; M866-I869 HydrophobicContact CE-CG2 4.1Å; I869-E872 PolarHBondContact O-N 3.24Å; I869-L873 HydrophobicContact CD1-CD1 4.23Å; I869-L873 HydrophobicContact CG1-CD1 3.75Å; I869-L873 HydrophobicContact CG1-CG 3.96Å; I869-L873 VanDerWaalsContact O-CB 3.29Å; I869-L873 WeakPolarHBondContact O-CB 3.37Å; I869-L873 WeakPolarHBondContact O-CG 3.25Å; I869-L873 PolarHBondContact O-N 3.43Å
870	T	98.4	Very high	95.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.7	-40.6	178.9	55.9	0	0	0	0	111.5	M750 L859 F862 S863 M866 P867 F868 W874	M750-T870 HydrophobicContact CE-CG2 4.39Å; L859-T870 HydrophobicContact CD2-CG2 4.23Å; L859-T870 WeakPolarHBondContact O-CG2 3.48Å; F862-T870 HydrophobicContact CB-CG2 3.52Å; S863-T870 WeakPolarHBondContact CA-OG1 3.25Å; S863-T870 PolarHBondContact OG-OG1 2.66Å; M866-T870 HydrophobicContact CB-CG2 4.23Å; M866-T870 WeakPolarHBondContact O-CB 3.31Å; M866-T870 WeakPolarHBondContact O-CG2 3.21Å; M866-T870 PolarHBondContact O-N 3Å; M866-T870 PolarHBondContact O-OG1 3.12Å; P867-T870 PolarHBondContact O-OG1 3.5Å; F868-T870 VanDerWaalsContact C-N 3.32Å; F868-T870 PolarHBondContact O-N 3.49Å; T870-W874 WeakPolarHBondContact O-CB 3.26Å; T870-W874 PolarHBondContact O-N 2.97Å
871	E	97.9	Very high	94.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.6	-51.2	172.8	-168.7	72.5	-137.5	0	0	111.2	W112 W116 P867 F868 L873 W874 Q875 S889 L890	W112-E871 HydrophobicContact CD2-CG 3.95Å; W112-E871 HydrophobicContact CE3-CG 3.77Å; W112-E871 HydrophobicContact CH2-CG 4.4Å; W112-E871 HydrophobicContact CZ3-CG 4.02Å; W116-E871 HydrophobicContact CZ2-CB 3.84Å; W116-E871 HydrophobicContact CZ2-CG 3.84Å; P867-E871 VanDerWaalsContact O-CB 3.25Å; P867-E871 WeakPolarHBondContact O-CB 3.5Å; P867-E871 PolarHBondContact O-N 3.13Å; F868-E871 PolarHBondContact O-N 3.21Å; E871-L873 VanDerWaalsContact C-N 3.34Å; E871-L873 PolarHBondContact O-N 3.36Å; E871-W874 PolarHBondContact O-N 2.89Å; E871-Q875 HydrophobicContact CG-CG 4.28Å; E871-Q875 WeakPolarHBondContact O-CB 3.31Å; E871-Q875 WeakPolarHBondContact O-CG 3.44Å; E871-Q875 PolarHBondContact O-N 3.44Å; E871-Q875 PolarHBondContact OE1-NE2 3.41Å; E871-S889 WeakPolarHBondContact OE1-CA 3.43Å; E871-S889 PolarHBondContact OE1-OG 2.71Å; E871-S889 PolarHBondContact OE2-OG 3.14Å; E871-L890 PolarHBondContact OE1-N 3Å; E871-L890 VanDerWaalsContact OE2-CB 3.28Å; E871-L890 WeakPolarHBondContact OE2-CB 3.48Å; E871-L890 PolarHBondContact OE2-N 3.38Å
872	E	97.4	Very high	93.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-55.9	-48.1	179	176	70.4	-156.7	0	0	112.2	K93 V108 W112 W751 F868 I869 R876	K93-E872 WeakPolarHBondContact CD-OE2 3.31Å; K93-E872 WeakPolarHBondContact CE-OE2 3.34Å; K93-E872 IonicContact NZ-OE2 3.18Å; K93-E872 PolarHBondContact NZ-OE2 3.32Å; V108-E872 HydrophobicContact CG1-CB 4Å; V108-E872 HydrophobicContact CG1-CG 4.38Å; V108-E872 HydrophobicContact CG2-CG 4.3Å; W112-E872 HydrophobicContact CZ2-CB 4.4Å; W112-E872 WeakPolarHBondContact CZ2-OE2 3.36Å; W112-E872 PolarHBondContact NE1-OE2 3.06Å; W112-E872 VanDerWaalsContact NE1-OE2 3.12Å; W751-E872 HydrophobicContact CZ3-CG 3.96Å; F868-E872 WeakPolarHBondContact O-CB 3.43Å; F868-E872 PolarHBondContact O-N 3.2Å; I869-E872 PolarHBondContact O-N 3.24Å; E872-R876 WeakPolarHBondContact O-CG 3.43Å; E872-R876 PolarHBondContact O-N 3.13Å; E872-R876 IonicContact OE1-CZ 2.81Å; E872-R876 VanDerWaalsContact OE1-CZ 3.3Å; E872-R876 IonicContact OE1-NE 3.64Å; E872-R876 PolarHBondContact OE1-NE 3.22Å; E872-R876 IonicContact OE1-NH2 2.82Å; E872-R876 PolarHBondContact OE1-NH2 3Å
873	L	97.1	Very high	91.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.4	-38.8	-177.8	-66.8	-177	0	0	0	111.5	F99 M750 W751 L754 L859 I869 E871 R876 L877	F99-L873 HydrophobicContact CE2-CD2 4.44Å; F99-L873 HydrophobicContact CZ-CD2 3.98Å; M750-L873 HydrophobicContact CB-CD1 3.96Å; W751-L873 HydrophobicContact CE3-CD2 3.83Å; W751-L873 HydrophobicContact CZ3-CD2 4.31Å; L754-L873 HydrophobicContact CB-CD2 3.87Å; L754-L873 HydrophobicContact CD2-CB 3.73Å; L754-L873 HydrophobicContact CD2-CD2 3.32Å; L754-L873 HydrophobicContact CD2-CG 4.06Å; L754-L873 WeakPolarHBondContact CD2-O 3.48Å; L754-L873 HydrophobicContact CG-CD2 4.19Å; L859-L873 HydrophobicContact CD1-CB 3.76Å; L859-L873 HydrophobicContact CD2-CB 3.9Å; L859-L873 HydrophobicContact CD2-CD1 3.84Å; I869-L873 HydrophobicContact CD1-CD1 4.23Å; I869-L873 HydrophobicContact CG1-CD1 3.75Å; I869-L873 HydrophobicContact CG1-CG 3.96Å; I869-L873 VanDerWaalsContact O-CB 3.29Å; I869-L873 WeakPolarHBondContact O-CB 3.37Å; I869-L873 WeakPolarHBondContact O-CG 3.25Å; I869-L873 PolarHBondContact O-N 3.43Å; E871-L873 VanDerWaalsContact C-N 3.34Å; E871-L873 PolarHBondContact O-N 3.36Å; L873-R876 PolarHBondContact O-N 3.37Å; L873-L877 PolarHBondContact O-N 3.1Å
874	W	95.4	Very high	89.5	Confident	7 Å²	7	21.7 Å²	21.7	3%	0.027	14%	0.14	C	C	.	.	H	α-helix	trans	-71.4	-38.1	-179	-177.3	89.6	0	0	0	112.4	L859 T870 E871 R876 L877 Q878 T888 L890 Q893	L859-W874 HydrophobicContact CD1-CB 4.19Å; T870-W874 WeakPolarHBondContact O-CB 3.26Å; T870-W874 PolarHBondContact O-N 2.97Å; E871-W874 PolarHBondContact O-N 2.89Å; W874-R876 VanDerWaalsContact C-N 3.26Å; W874-R876 PolarHBondContact O-N 3.28Å; W874-L877 WeakPolarHBondContact O-CB 3.43Å; W874-L877 PolarHBondContact O-N 2.83Å; W874-Q878 HydrophobicContact CD2-CG 4.46Å; W874-Q878 VanDerWaalsContact CD2-NE2 3.33Å; W874-Q878 HydrophobicContact CE3-CG 3.96Å; W874-Q878 HydrophobicContact CH2-CG 4.05Å; W874-Q878 VanDerWaalsContact CH2-OE1 3.27Å; W874-Q878 VanDerWaalsContact CZ2-CD 3.45Å; W874-Q878 VanDerWaalsContact CZ3-CD 3.44Å; W874-Q878 HydrophobicContact CZ3-CG 3.71Å; W874-Q878 PolarHBondContact O-N 2.8Å; W874-Q878 PolarHBondContact O-NE2 3.22Å; W874-T888 VanDerWaalsContact CZ3-O 3.22Å; W874-T888 WeakPolarHBondContact CZ3-O 3.41Å; W874-L890 HydrophobicContact CB-CB 4.47Å; W874-L890 HydrophobicContact CB-CD2 3.87Å; W874-L890 HydrophobicContact CD2-CB 4.02Å; W874-L890 HydrophobicContact CD2-CD1 3.92Å; W874-L890 HydrophobicContact CD2-CG 4.42Å; W874-L890 HydrophobicContact CE3-CB 4.05Å; W874-L890 HydrophobicContact CG-CB 4.24Å; W874-L890 HydrophobicContact CG-CD1 3.81Å; W874-L890 HydrophobicContact CG-CD2 4.07Å; W874-L890 HydrophobicContact CG-CG 4.26Å; W874-Q893 HydrophobicContact CH2-CG 3.84Å; W874-Q893 HydrophobicContact CZ2-CG 3.47Å; W874-Q893 VanDerWaalsContact CZ2-CG 3.47Å
875	Q	93.9	Very high	87.3	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-34.2	175.4	-69.4	-66.2	-10	0	0	111.9	K92 T95 W112 E871 L877 Q878 T888	K92-Q875 VanDerWaalsContact CE-OE1 3.29Å; T95-Q875 HydrophobicContact CG2-CB 3.97Å; W112-Q875 HydrophobicContact CH2-CB 4.12Å; W112-Q875 HydrophobicContact CH2-CG 3.72Å; W112-Q875 HydrophobicContact CZ2-CG 4.45Å; W112-Q875 HydrophobicContact CZ3-CG 4.19Å; E871-Q875 HydrophobicContact CG-CG 4.28Å; E871-Q875 WeakPolarHBondContact O-CB 3.31Å; E871-Q875 WeakPolarHBondContact O-CG 3.44Å; E871-Q875 PolarHBondContact O-N 3.44Å; E871-Q875 PolarHBondContact OE1-NE2 3.41Å; Q875-L877 VanDerWaalsContact C-N 3.29Å; Q875-L877 PolarHBondContact O-N 2.83Å; Q875-Q878 PolarHBondContact O-N 3.04Å; Q875-T888 PolarHBondContact NE2-O 3.39Å
876	R	92.6	Very high	85.2	Confident	19 Å²	19	32 Å²	32	7%	0.072	21%	0.212	C	C	.	.	H	α-helix	trans	-71	-20.7	173.1	-70.8	179	-176.3	-83.4	-1.7	114.1	T95 L97 Y107 L754 L758 E872 L873 W874	T95-R876 HydrophobicContact CG2-CG 4.41Å; T95-R876 PolarHBondContact O-NH1 3.44Å; L97-R876 PolarHBondContact O-NH1 3.33Å; Y107-R876 PolarHBondContact OH-NH2 3.11Å; L754-R876 HydrophobicContact CD2-CB 3.99Å; L758-R876 HydrophobicContact CD1-CB 4.44Å; E872-R876 WeakPolarHBondContact O-CG 3.43Å; E872-R876 PolarHBondContact O-N 3.13Å; E872-R876 IonicContact OE1-CZ 2.81Å; E872-R876 VanDerWaalsContact OE1-CZ 3.3Å; E872-R876 IonicContact OE1-NE 3.64Å; E872-R876 PolarHBondContact OE1-NE 3.22Å; E872-R876 IonicContact OE1-NH2 2.82Å; E872-R876 PolarHBondContact OE1-NH2 3Å; L873-R876 PolarHBondContact O-N 3.37Å; W874-R876 VanDerWaalsContact C-N 3.26Å; W874-R876 PolarHBondContact O-N 3.28Å
877	L	90.4	Very high	83.4	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-85.5	-18	174.3	-73.2	172.8	0	0	0	113.5	L754 L758 Y852 V855 L859 L873 W874 Q875 P879 F880	L754-L877 HydrophobicContact CD1-CD1 3.84Å; L754-L877 HydrophobicContact CD1-CD2 3.38Å; L754-L877 HydrophobicContact CD1-CG 3.48Å; L754-L877 VanDerWaalsContact CD1-CG 3.48Å; L758-L877 HydrophobicContact CD2-CD2 3.94Å; Y852-L877 HydrophobicContact CD2-CD2 4.01Å; Y852-L877 HydrophobicContact CE2-CB 4.11Å; Y852-L877 HydrophobicContact CE2-CD2 3.84Å; Y852-L877 HydrophobicContact CE2-CG 4.47Å; Y852-L877 PolarHBondContact OH-O 3.41Å; V855-L877 HydrophobicContact CG1-CD1 3.95Å; L859-L877 HydrophobicContact CD1-CD1 3.68Å; L873-L877 PolarHBondContact O-N 3.1Å; W874-L877 WeakPolarHBondContact O-CB 3.43Å; W874-L877 PolarHBondContact O-N 2.83Å; Q875-L877 VanDerWaalsContact C-N 3.29Å; Q875-L877 PolarHBondContact O-N 2.83Å; L877-P879 VanDerWaalsContact C-CD 3.42Å; L877-F880 PolarHBondContact O-N 3.43Å; L877-F880 VanDerWaalsContact O-N 3.13Å
878	Q	86.6	Confident	82.6	Confident	18 Å²	18	41.1 Å²	41.1	8%	0.084	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-56.3	-39.6	-175.1	-70.9	-52.1	-75.4	0	0	114.9	W874 Q875 F880 R881	W874-Q878 HydrophobicContact CD2-CG 4.46Å; W874-Q878 VanDerWaalsContact CD2-NE2 3.33Å; W874-Q878 HydrophobicContact CE3-CG 3.96Å; W874-Q878 HydrophobicContact CH2-CG 4.05Å; W874-Q878 VanDerWaalsContact CH2-OE1 3.27Å; W874-Q878 VanDerWaalsContact CZ2-CD 3.45Å; W874-Q878 VanDerWaalsContact CZ3-CD 3.44Å; W874-Q878 HydrophobicContact CZ3-CG 3.71Å; W874-Q878 PolarHBondContact O-N 2.8Å; W874-Q878 PolarHBondContact O-NE2 3.22Å; Q875-Q878 PolarHBondContact O-N 3.04Å; Q878-F880 PolarHBondContact O-N 2.91Å; Q878-R881 WeakPolarHBondContact O-CB 3.36Å; Q878-R881 PolarHBondContact O-N 3.09Å
879	P	86.4	Confident	82.3	Confident	89 Å²	89	41 Å²	41	58%	0.578	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-58.2	-20.1	179.4	-27	36.7	0	0	0	114.6	L877	L877-P879 VanDerWaalsContact C-CD 3.42Å
880	F	83.8	Confident	82.2	Confident	24 Å²	24	41 Å²	41	11%	0.105	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-99.3	-3.9	-178.2	-53.9	-77.9	0	0	0	113.4	L758 V761 G762 V767 Y852 L877 Q878	L758-F880 HydrophobicContact CD2-CD2 3.99Å; L758-F880 HydrophobicContact CD2-CE2 3.51Å; L758-F880 HydrophobicContact CD2-CZ 4.33Å; V761-F880 HydrophobicContact CG1-CB 4.19Å; V761-F880 HydrophobicContact CG1-CD1 3.44Å; V761-F880 VanDerWaalsContact CG1-CD1 3.44Å; V761-F880 HydrophobicContact CG1-CE1 3.99Å; V761-F880 HydrophobicContact CG1-CG 3.86Å; G762-F880 WeakPolarHBondContact O-CE1 3.35Å; V767-F880 HydrophobicContact CG2-CB 4.47Å; V767-F880 PolarHBondContact N-O 3.29Å; Y852-F880 HydrophobicContact CD2-CB 4.37Å; Y852-F880 HydrophobicContact CE2-CB 3.75Å; L877-F880 PolarHBondContact O-N 3.43Å; L877-F880 VanDerWaalsContact O-N 3.13Å; Q878-F880 PolarHBondContact O-N 2.91Å
881	R	80	Confident	81.9	Confident	97 Å²	97	41 Å²	41	37%	0.366	26%	0.258	S	S	.	.	S	Bend	trans	-73.2	132.8	-178	-170	-179.8	-179.3	175.9	2.3	110.1	Y852 Q878 G883	Y852-R881 WeakPolarHBondContact OH-CA 3.45Å; Y852-R881 WeakPolarHBondContact OH-CB 3.26Å; Y852-R881 PolarHBondContact OH-N 3.14Å; Q878-R881 WeakPolarHBondContact O-CB 3.36Å; Q878-R881 PolarHBondContact O-N 3.09Å; R881-G883 PolarHBondContact O-N 3.31Å
882	P	67.8	Low	81.7	Confident	42 Å²	42	41.8 Å²	41.8	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	135	174.3	18	-25.6	0	0	0	111.5	V767 T769	V767-P882 WeakPolarHBondContact O-CB 3.48Å; V767-P882 WeakPolarHBondContact O-CD 3.35Å; V767-P882 VanDerWaalsContact O-CG 3.24Å; V767-P882 WeakPolarHBondContact O-CG 3.49Å; T769-P882 HydrophobicContact CG2-CB 4.14Å; T769-P882 HydrophobicContact CG2-CG 4.17Å
883	G	64.3	Low	81.5	Confident	70 Å²	70	42.8 Å²	42.8	72%	0.722	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	31.1	174.7	0	0	0	0	0	115.9	R881 T885	R881-G883 PolarHBondContact O-N 3.31Å; G883-T885 PolarHBondContact O-N 2.98Å
884	A	56.5	Low	81.4	Confident	79 Å²	79	45.3 Å²	45.3	65%	0.653	28%	0.283	S	S	*	.			trans	-50.7	96.2	-173.9	0	0	0	0	0	114.6
885	T	53.1	Low	81.4	Confident	126 Å²	126	45 Å²	45	77%	0.773	28%	0.283	S	S	*	.			trans	-94	168.3	162.9	47.1	0	0	0	0	111.4	G883 Q887	G883-T885 PolarHBondContact O-N 2.98Å; T885-Q887 PolarHBondContact O-N 3.48Å
886	A	53.4	Low	81.6	Confident	90 Å²	90	45 Å²	45	74%	0.744	28%	0.283	S	S	*	.	S	Bend	trans	-31.2	124.1	-173.1	0	0	0	0	0	114.6	T888	A886-T888 PolarHBondContact O-N 2.79Å; A886-T888 VanDerWaalsContact O-N 3.09Å
887	Q	60.5	Low	81.7	Confident	129 Å²	129	48.5 Å²	48.5	60%	0.603	30%	0.296	S	S	*	.			trans	-62.5	109.6	-170.1	-60.4	172	-8.5	0	0	111.5	K92 T885	K92-Q887 VanDerWaalsContact NZ-CB 3.31Å; T885-Q887 PolarHBondContact O-N 3.48Å
888	T	82.3	Confident	81.9	Confident	65 Å²	65	49.4 Å²	49.4	40%	0.399	30%	0.303	S	S	.	.			trans	-95.7	167.7	175.1	42.2	0	0	0	0	111	W874 Q875 A886 Q893	W874-T888 VanDerWaalsContact CZ3-O 3.22Å; W874-T888 WeakPolarHBondContact CZ3-O 3.41Å; Q875-T888 PolarHBondContact NE2-O 3.39Å; A886-T888 PolarHBondContact O-N 2.79Å; A886-T888 VanDerWaalsContact O-N 3.09Å; T888-Q893 PolarHBondContact OG1-NE2 2.88Å
889	S	93.1	Very high	82.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	33%	0.331	C	S	.	.			trans	-78	148.3	175.8	-175.7	0	0	0	0	111.6	W116 E871 C891 L892	W116-S889 PolarHBondContact NE1-OG 2.95Å; E871-S889 WeakPolarHBondContact OE1-CA 3.43Å; E871-S889 PolarHBondContact OE1-OG 2.71Å; E871-S889 PolarHBondContact OE2-OG 3.14Å; S889-C891 PolarHBondContact O-N 2.93Å; S889-C891 PolarHBondContact OG-SG 3.45Å; S889-L892 PolarHBondContact O-N 2.99Å; S889-L892 VanDerWaalsContact O-N 3.14Å
890	L	94.8	Very high	82.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-60.9	-35.2	175.9	178.2	58	0	0	0	111.3	A860 E871 W874 L892 Q893	A860-L890 HydrophobicContact CB-CD1 3.99Å; E871-L890 PolarHBondContact OE1-N 3Å; E871-L890 VanDerWaalsContact OE2-CB 3.28Å; E871-L890 WeakPolarHBondContact OE2-CB 3.48Å; E871-L890 PolarHBondContact OE2-N 3.38Å; W874-L890 HydrophobicContact CB-CB 4.47Å; W874-L890 HydrophobicContact CB-CD2 3.87Å; W874-L890 HydrophobicContact CD2-CB 4.02Å; W874-L890 HydrophobicContact CD2-CD1 3.92Å; W874-L890 HydrophobicContact CD2-CG 4.42Å; W874-L890 HydrophobicContact CE3-CB 4.05Å; W874-L890 HydrophobicContact CG-CB 4.24Å; W874-L890 HydrophobicContact CG-CD1 3.81Å; W874-L890 HydrophobicContact CG-CD2 4.07Å; W874-L890 HydrophobicContact CG-CG 4.26Å; L890-L892 PolarHBondContact O-N 3.4Å; L890-Q893 HydrophobicContact CD1-CB 4.26Å; L890-Q893 HydrophobicContact CD1-CG 4.19Å; L890-Q893 WeakPolarHBondContact O-CB 3.21Å; L890-Q893 PolarHBondContact O-N 3.18Å
891	C	93.2	Very high	83.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65.5	-8	179.2	72.2	0	0	0	0	114.6	R170 S889	R170-C891 WeakPolarHBondContact CD-O 3.32Å; S889-C891 PolarHBondContact O-N 2.93Å; S889-C891 PolarHBondContact OG-SG 3.45Å
892	L	93.8	Very high	83.8	Confident	17 Å²	17	50.9 Å²	50.9	9%	0.089	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-111.3	4	174.9	-61	-174.9	0	0	0	112.9	F121 L130 H132 R170 S889 L890	F121-L892 HydrophobicContact CB-CD1 4.34Å; F121-L892 HydrophobicContact CB-CD2 4.37Å; F121-L892 HydrophobicContact CB-CG 4.44Å; F121-L892 HydrophobicContact CD1-CD1 3.46Å; F121-L892 VanDerWaalsContact CD1-CD1 3.46Å; F121-L892 HydrophobicContact CD1-CG 4.38Å; F121-L892 HydrophobicContact CE1-CD1 3.81Å; F121-L892 HydrophobicContact CG-CD1 3.91Å; F121-L892 HydrophobicContact CG-CG 4.37Å; L130-L892 HydrophobicContact CD2-CB 3.95Å; L130-L892 HydrophobicContact CD2-CD2 4.3Å; L130-L892 HydrophobicContact CD2-CG 4.49Å; H132-L892 PolarHBondContact CE1-O 3.45Å; H132-L892 VanDerWaalsContact CE1-O 3.3Å; R170-L892 HydrophobicContact CG-CD2 4.48Å; S889-L892 PolarHBondContact O-N 2.99Å; S889-L892 VanDerWaalsContact O-N 3.14Å; L890-L892 PolarHBondContact O-N 3.4Å
893	Q	93.1	Very high	85.1	Confident	21 Å²	21	52 Å²	52	10%	0.098	33%	0.325	C	S	.	.	S	Bend	trans	-82.7	152.1	175.1	-63.5	-58.2	-74.9	0	0	111.2	M171 W874 T888 L890 Y895	M171-Q893 VanDerWaalsContact CB-O 3.3Å; M171-Q893 WeakPolarHBondContact CB-O 3.49Å; M171-Q893 WeakPolarHBondContact CG-O 3.4Å; W874-Q893 HydrophobicContact CH2-CG 3.84Å; W874-Q893 HydrophobicContact CZ2-CG 3.47Å; W874-Q893 VanDerWaalsContact CZ2-CG 3.47Å; T888-Q893 PolarHBondContact OG1-NE2 2.88Å; L890-Q893 HydrophobicContact CD1-CB 4.26Å; L890-Q893 HydrophobicContact CD1-CG 4.19Å; L890-Q893 WeakPolarHBondContact O-CB 3.21Å; L890-Q893 PolarHBondContact O-N 3.18Å; Q893-Y895 PolarHBondContact O-N 3.4Å
894	P	94.2	Very high	86.5	Confident	53 Å²	53	48.6 Å²	48.6	34%	0.344	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-54	132.9	171.4	-21.3	29.5	0	0	0	111.8	H132 M171	H132-P894 HydrophobicContact CB-CG 4.28Å; M171-P894 CarbonylContact O-C 3.57Å; M171-P894 VanDerWaalsContact O-CA 3.27Å; M171-P894 WeakPolarHBondContact O-CA 3.36Å
895	Y	96.6	Very high	88.4	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.008	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.8	131.3	170	-162.1	-100.1	0	0	0	109	W168 M171 F798 L861 P864 Q893 R897	W168-Y895 AromaticContact CD1-CD1 3.78Å; W168-Y895 AromaticContact CD1-CD2 3.96Å; W168-Y895 AromaticContact CD1-CE1 3.84Å; W168-Y895 AromaticContact CD1-CG 3.84Å; W168-Y895 AromaticContact CD1-CZ 3.98Å; W168-Y895 AromaticContact NE1-CD1 3.89Å; W168-Y895 AromaticContact NE1-CE1 3.97Å; M171-Y895 HydrophobicContact CB-CD2 4.31Å; M171-Y895 HydrophobicContact CE-CD2 3.95Å; M171-Y895 PolarHBondContact O-N 3.44Å; M171-Y895 HydrophobicContact SD-CD2 4.02Å; F798-Y895 AromaticContact CE2-CZ 3.97Å; F798-Y895 WeakPolarHBondContact CE2-OH 3.44Å; L861-Y895 HydrophobicContact CD2-CD1 4.35Å; L861-Y895 HydrophobicContact CD2-CE1 3.54Å; L861-Y895 HydrophobicContact CD2-CE2 4.22Å; L861-Y895 VanDerWaalsContact CD2-CZ 3.45Å; L861-Y895 VanDerWaalsContact CD2-OH 3.31Å; L861-Y895 WeakPolarHBondContact CD2-OH 3.27Å; L861-Y895 PolarHBondContact O-OH 3.39Å; P864-Y895 HydrophobicContact CG-CD2 4.41Å; P864-Y895 HydrophobicContact CG-CE2 3.82Å; Q893-Y895 PolarHBondContact O-N 3.4Å; Y895-R897 PolarHBondContact O-N 2.91Å
896	P	96.4	Very high	90.5	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.026	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-56.9	131.3	178.9	-26	34.9	0	0	0	111.7	L857 A860 L861	L857-P896 HydrophobicContact CB-CG 4.39Å; L857-P896 HydrophobicContact CD2-CB 4.13Å; L857-P896 HydrophobicContact CD2-CG 3.97Å; A860-P896 HydrophobicContact CB-CG 3.81Å; L861-P896 HydrophobicContact CD2-CB 3.95Å; L861-P896 HydrophobicContact CD2-CG 3.97Å; L861-P896 HydrophobicContact CG-CB 4.38Å; L861-P896 HydrophobicContact CG-CG 4.08Å
897	R	95.5	Very high	92.5	Very high	91 Å²	91	44.5 Å²	44.5	34%	0.343	23%	0.233	S	C	.	.			trans	-115.1	146.9	179.6	-65	-173.1	-176.8	179.7	0.3	112.3	Q172 E795 Y895 T899 Q900	Q172-R897 PolarHBondContact O-NH2 2.98Å; Q172-R897 VanDerWaalsContact O-NH2 3.11Å; E795-R897 WeakPolarHBondContact OE1-CA 3.39Å; E795-R897 WeakPolarHBondContact OE1-CB 3.18Å; Y895-R897 PolarHBondContact O-N 2.91Å; R897-T899 PolarHBondContact O-N 2.85Å; R897-Q900 HydrophobicContact CB-CG 4.46Å; R897-Q900 PolarHBondContact O-N 3.43Å; R897-Q900 VanDerWaalsContact O-N 3.07Å
898	S	95.8	Very high	94.1	Very high	21 Å²	21	43.5 Å²	43.5	15%	0.147	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.6	-33.5	177.7	55.4	0	0	0	0	112	Y788 E795 Q900 L901 A902	Y788-S898 WeakPolarHBondContact CE2-O 3.47Å; E795-S898 PolarHBondContact OE1-N 3.3Å; E795-S898 WeakPolarHBondContact OE2-CB 3.16Å; E795-S898 PolarHBondContact OE2-OG 3.3Å; S898-Q900 VanDerWaalsContact C-N 3.26Å; S898-Q900 PolarHBondContact O-N 3.32Å; S898-L901 CarbonylContact O-C 3.52Å; S898-L901 PolarHBondContact O-N 3.19Å; S898-A902 PolarHBondContact O-N 2.78Å; S898-A902 VanDerWaalsContact O-N 3.15Å
899	T	94.4	Very high	94.7	Very high	110 Å²	110	41 Å²	41	68%	0.675	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-60.1	-33.2	176.6	58.8	0	0	0	0	113.4	R897 L901	R897-T899 PolarHBondContact O-N 2.85Å; T899-L901 VanDerWaalsContact C-N 3.3Å
900	Q	92.1	Very high	94.7	Very high	90 Å²	90	42.5 Å²	42.5	42%	0.421	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-79.2	-16.3	178.2	-64.3	172.4	-42.1	0	0	112.6	R897 S898 H903	R897-Q900 HydrophobicContact CB-CG 4.46Å; R897-Q900 PolarHBondContact O-N 3.43Å; R897-Q900 VanDerWaalsContact O-N 3.07Å; S898-Q900 VanDerWaalsContact C-N 3.26Å; S898-Q900 PolarHBondContact O-N 3.32Å; Q900-H903 PolarHBondContact O-CE1 3.18Å; Q900-H903 VanDerWaalsContact O-CE1 3.26Å; Q900-H903 PolarHBondContact O-ND1 3.23Å
901	L	95.1	Very high	94.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-112.2	13.2	-176.6	-60.4	-178.3	0	0	0	112.2	L770 L787 Y788 V791 L857 S898 T899 H903 W904	L770-L901 HydrophobicContact CD1-CD2 4.12Å; L770-L901 HydrophobicContact CD2-CD2 3.91Å; L770-L901 HydrophobicContact CG-CD2 4.34Å; L787-L901 HydrophobicContact CG-CD1 4.48Å; Y788-L901 HydrophobicContact CD2-CB 3.89Å; Y788-L901 VanDerWaalsContact CD2-O 3.23Å; Y788-L901 WeakPolarHBondContact CD2-O 3.37Å; V791-L901 HydrophobicContact CB-CD1 4.44Å; V791-L901 HydrophobicContact CG2-CD1 3.77Å; L857-L901 HydrophobicContact CD1-CD1 4.34Å; L857-L901 HydrophobicContact CD1-CD2 3.85Å; S898-L901 CarbonylContact O-C 3.52Å; S898-L901 PolarHBondContact O-N 3.19Å; T899-L901 VanDerWaalsContact C-N 3.3Å; L901-H903 PolarHBondContact O-N 3.33Å; L901-W904 HydrophobicContact CD2-CD2 4.47Å; L901-W904 HydrophobicContact CD2-CE3 4.04Å; L901-W904 HydrophobicContact CD2-CZ3 4.37Å; L901-W904 WeakPolarHBondContact O-CA 3.36Å; L901-W904 WeakPolarHBondContact O-CB 3.5Å; L901-W904 PolarHBondContact O-N 2.92Å
902	A	94.4	Very high	94.7	Very high	57 Å²	57	50 Å²	50	47%	0.471	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.6	-33.1	-175.8	0	0	0	0	0	112.7	S898 W904 Y905	S898-A902 PolarHBondContact O-N 2.78Å; S898-A902 VanDerWaalsContact O-N 3.15Å; A902-W904 PolarHBondContact O-N 3.48Å; A902-Y905 PolarHBondContact O-N 3.48Å
903	H	93.9	Very high	94.8	Very high	65 Å²	65	49.2 Å²	49.2	30%	0.301	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-68.2	-10.9	174.3	63.7	-61	0	0	0	113.8	L770 Q900 L901 F906	L770-H903 PolarHBondContact O-NE2 3.01Å; L770-H903 VanDerWaalsContact O-NE2 3.17Å; Q900-H903 PolarHBondContact O-CE1 3.18Å; Q900-H903 VanDerWaalsContact O-CE1 3.26Å; Q900-H903 PolarHBondContact O-ND1 3.23Å; L901-H903 PolarHBondContact O-N 3.33Å; H903-F906 WeakPolarHBondContact O-CZ 3.44Å
904	W	95.4	Very high	94.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-98.5	4.7	177	-77.4	10.6	0	0	0	113.5	L770 T773 C784 S785 L787 H853 L857 L901 A902 F906	L770-W904 HydrophobicContact CD1-CH2 3.42Å; L770-W904 VanDerWaalsContact CD1-CH2 3.42Å; L770-W904 HydrophobicContact CD1-CZ2 3.55Å; L770-W904 HydrophobicContact CD1-CZ3 4.03Å; T773-W904 HydrophobicContact CG2-CZ2 3.76Å; T773-W904 PolarHBondContact O-NE1 2.96Å; C784-W904 CarbonylContact C-O 3.33Å; C784-W904 HydrophobicContact CB-CB 3.84Å; C784-W904 HydrophobicContact CB-CD2 3.7Å; C784-W904 HydrophobicContact CB-CE3 3.83Å; C784-W904 HydrophobicContact CB-CG 3.71Å; C784-W904 VanDerWaalsContact SG-CD2 3.52Å; S785-W904 WeakPolarHBondContact CA-O 3.36Å; S785-W904 WeakPolarHBondContact CB-O 3.37Å; S785-W904 PolarHBondContact N-O 2.96Å; S785-W904 VanDerWaalsContact N-O 3.11Å; L787-W904 HydrophobicContact CD2-CE3 4.33Å; L787-W904 HydrophobicContact CD2-CZ3 3.89Å; H853-W904 HydrophobicContact CB-CH2 3.61Å; H853-W904 HydrophobicContact CB-CZ2 4.49Å; H853-W904 HydrophobicContact CB-CZ3 4.42Å; L857-W904 HydrophobicContact CD1-CZ3 4.07Å; L901-W904 HydrophobicContact CD2-CD2 4.47Å; L901-W904 HydrophobicContact CD2-CE3 4.04Å; L901-W904 HydrophobicContact CD2-CZ3 4.37Å; L901-W904 WeakPolarHBondContact O-CA 3.36Å; L901-W904 WeakPolarHBondContact O-CB 3.5Å; L901-W904 PolarHBondContact O-N 2.92Å; A902-W904 PolarHBondContact O-N 3.48Å; W904-F906 WeakPolarHBondContact O-CD2 3.48Å; W904-F906 PolarHBondContact O-N 3.01Å
905	Y	96	Very high	94.7	Very high	114 Å²	114	51.3 Å²	51.3	45%	0.447	26%	0.258	S	S	.	.			trans	-84.7	109.3	178.4	-176.6	-132.6	0	0	0	111.9	Y788 A902 P907	Y788-Y905 AromaticContact CD1-CD2 3.34Å; Y788-Y905 HydrophobicContact CD1-CD2 3.34Å; Y788-Y905 HydrophobicContact CD1-CE2 4.12Å; Y788-Y905 AromaticContact CD1-CG 3.8Å; Y788-Y905 HydrophobicContact CD1-CG 3.8Å; Y788-Y905 HydrophobicContact CE1-CD1 4.27Å; Y788-Y905 AromaticContact CE1-CD2 3.38Å; Y788-Y905 HydrophobicContact CE1-CD2 3.38Å; Y788-Y905 AromaticContact CE1-CE2 3.93Å; Y788-Y905 HydrophobicContact CE1-CE2 3.93Å; Y788-Y905 AromaticContact CE1-CG 3.57Å; Y788-Y905 HydrophobicContact CE1-CG 3.57Å; Y788-Y905 HydrophobicContact CG-CD2 4.33Å; A902-Y905 PolarHBondContact O-N 3.48Å; Y905-P907 HydrophobicContact CD1-CG 4.44Å; Y905-P907 HydrophobicContact CE1-CB 4.36Å; Y905-P907 HydrophobicContact CE1-CG 3.89Å; Y905-P907 HydrophobicContact CE2-CB 3.94Å; Y905-P907 HydrophobicContact CE2-CG 4.22Å
906	F	96.6	Very high	94.5	Very high	41 Å²	41	51.2 Å²	51.2	18%	0.18	26%	0.258	C	S	.	.			trans	-126.9	73.7	-179.6	-54.8	-76.9	0	0	0	110.4	P775 R781 C784 S785 H903 W904 E908 E909 E910	P775-F906 HydrophobicContact CG-CE2 3.84Å; P775-F906 HydrophobicContact CG-CZ 4.15Å; R781-F906 HydrophobicContact CB-CB 4.44Å; R781-F906 HydrophobicContact CB-CD1 4.49Å; R781-F906 HydrophobicContact CB-CD2 3.7Å; R781-F906 HydrophobicContact CB-CE2 4Å; R781-F906 HydrophobicContact CB-CG 3.97Å; R781-F906 HydrophobicContact CG-CD1 4.34Å; R781-F906 HydrophobicContact CG-CD2 4.03Å; R781-F906 HydrophobicContact CG-CE1 4.2Å; R781-F906 HydrophobicContact CG-CE2 3.86Å; R781-F906 HydrophobicContact CG-CG 4.26Å; R781-F906 HydrophobicContact CG-CZ 3.96Å; R781-F906 VanDerWaalsContact O-CD2 3.3Å; R781-F906 WeakPolarHBondContact O-CD2 3.34Å; C784-F906 HydrophobicContact CB-CE2 4.46Å; S785-F906 PolarHBondContact OG-N 2.84Å; S785-F906 PolarHBondContact OG-O 3.41Å; H903-F906 WeakPolarHBondContact O-CZ 3.44Å; W904-F906 WeakPolarHBondContact O-CD2 3.48Å; W904-F906 PolarHBondContact O-N 3.01Å; F906-E908 VanDerWaalsContact C-N 3.3Å; F906-E908 PolarHBondContact O-N 3.28Å; F906-E909 HydrophobicContact CB-CB 4.03Å; F906-E909 HydrophobicContact CB-CG 3.94Å; F906-E909 PolarHBondContact O-N 2.96Å; F906-E910 PolarHBondContact O-N 3.29Å
907	P	95.3	Very high	94.3	Very high	53 Å²	53	54.6 Å²	54.6	34%	0.344	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-34.3	-172.4	21.9	-32.6	0	0	0	113.8	Y905 E910 K911	Y905-P907 HydrophobicContact CD1-CG 4.44Å; Y905-P907 HydrophobicContact CE1-CB 4.36Å; Y905-P907 HydrophobicContact CE1-CG 3.89Å; Y905-P907 HydrophobicContact CE2-CB 3.94Å; Y905-P907 HydrophobicContact CE2-CG 4.22Å; P907-E910 PolarHBondContact O-N 3.02Å; P907-K911 WeakPolarHBondContact O-CB 3.4Å; P907-K911 PolarHBondContact O-N 3.02Å
908	E	94.3	Very high	94	Very high	109 Å²	109	52.6 Å²	52.6	51%	0.509	27%	0.269	S	S	.	.	H	α-helix	trans	-66.3	-37.6	176.3	-65.2	-53.8	129.9	0	0	111.7	F906 E910 K911 D912	F906-E908 VanDerWaalsContact C-N 3.3Å; F906-E908 PolarHBondContact O-N 3.28Å; E908-E910 VanDerWaalsContact C-N 3.34Å; E908-E910 PolarHBondContact O-N 3.06Å; E908-K911 PolarHBondContact O-N 3.32Å; E908-K911 IonicContact OE2-NZ 2.66Å; E908-K911 PolarHBondContact OE2-NZ 2.86Å; E908-D912 WeakPolarHBondContact O-CB 3.44Å; E908-D912 VanDerWaalsContact O-CG 3.29Å; E908-D912 PolarHBondContact O-N 3.23Å
909	E	94.2	Very high	93.8	Very high	13 Å²	13	51.7 Å²	51.7	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-36.6	176.2	-63.9	-71.4	-167.9	0	0	111.4	S778 R781 W782 F906 F913 R953 F954	S778-E909 PolarHBondContact OG-OE1 2.91Å; R781-E909 HydrophobicContact CB-CG 4.07Å; W782-E909 HydrophobicContact CB-CB 4.49Å; F906-E909 HydrophobicContact CB-CB 4.03Å; F906-E909 HydrophobicContact CB-CG 3.94Å; F906-E909 PolarHBondContact O-N 2.96Å; E909-F913 VanDerWaalsContact O-CB 3.25Å; E909-F913 WeakPolarHBondContact O-CB 3.31Å; E909-F913 PolarHBondContact O-N 3.3Å; E909-R953 IonicContact OE1-NH1 2.69Å; E909-R953 IonicContact OE2-NH1 3.75Å; E909-F954 WeakPolarHBondContact OE2-CE2 3.27Å; E909-F954 WeakPolarHBondContact OE2-CZ 3.36Å
910	E	94.6	Very high	93.7	Very high	30 Å²	30	46.9 Å²	46.9	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-45.3	173.1	-68.8	-164.8	-152.2	0	0	112.5	S785 R786 S789 F906 P907 E908	S785-E910 VanDerWaalsContact CB-OE1 3.31Å; S785-E910 WeakPolarHBondContact CB-OE1 3.45Å; S785-E910 WeakPolarHBondContact OG-CG 3.39Å; S785-E910 PolarHBondContact OG-OE1 3.43Å; R786-E910 WeakPolarHBondContact CD-OE2 3.3Å; R786-E910 IonicContact CZ-OE2 3.23Å; R786-E910 PolarHBondContact N-OE1 3.45Å; R786-E910 IonicContact NE-OE2 2.64Å; R786-E910 IonicContact NH1-OE2 3.74Å; R786-E910 PolarHBondContact NH1-OE2 3.1Å; S789-E910 PolarHBondContact OG-OE1 3.1Å; F906-E910 PolarHBondContact O-N 3.29Å; P907-E910 PolarHBondContact O-N 3.02Å; E908-E910 VanDerWaalsContact C-N 3.34Å; E908-E910 PolarHBondContact O-N 3.06Å
911	K	93.9	Very high	93.7	Very high	127 Å²	127	49.1 Å²	49.1	55%	0.552	24%	0.238	S	C	*	.	H	α-helix	trans	-65.1	-46.4	178.7	177.3	-175.1	166.6	-162.7	0	111.5	P907 E908 F913 L914	P907-K911 WeakPolarHBondContact O-CB 3.4Å; P907-K911 PolarHBondContact O-N 3.02Å; E908-K911 PolarHBondContact O-N 3.32Å; E908-K911 IonicContact OE2-NZ 2.66Å; E908-K911 PolarHBondContact OE2-NZ 2.86Å; K911-F913 VanDerWaalsContact C-N 3.32Å; K911-F913 PolarHBondContact O-N 2.95Å; K911-L914 WeakPolarHBondContact O-CB 3.47Å; K911-L914 PolarHBondContact O-N 3.27Å
912	D	93.7	Very high	93.3	Very high	32 Å²	32	49.8 Å²	49.8	17%	0.171	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-39.7	178.4	-83	-37.2	0	0	0	111.9	E908 L914 L915 T950 R953 F954	E908-D912 WeakPolarHBondContact O-CB 3.44Å; E908-D912 VanDerWaalsContact O-CG 3.29Å; E908-D912 PolarHBondContact O-N 3.23Å; D912-L914 PolarHBondContact O-N 3.13Å; D912-L915 WeakPolarHBondContact O-CB 3.38Å; D912-L915 PolarHBondContact O-N 2.89Å; D912-L915 VanDerWaalsContact O-N 3.13Å; D912-T950 HydrophobicContact CB-CG2 3.63Å; D912-T950 WeakPolarHBondContact O-CG2 3.35Å; D912-T950 PolarHBondContact OD1-OG1 3.2Å; D912-R953 VanDerWaalsContact CG-NH2 3.28Å; D912-R953 IonicContact OD1-NH2 2.7Å; D912-R953 IonicContact OD2-CZ 3.49Å; D912-R953 IonicContact OD2-NH1 2.98Å; D912-R953 PolarHBondContact OD2-NH1 3.28Å; D912-R953 IonicContact OD2-NH2 3.98Å; D912-R953 PolarHBondContact OD2-NH2 2.98Å; D912-F954 HydrophobicContact CB-CE2 4.06Å
913	F	94.9	Very high	93.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-20	-179.4	-161.6	-99.4	0	0	0	113.6	M779 W782 V821 E909 K911 L915 V916 Q917 F954	M779-F913 HydrophobicContact CE-CE2 3.96Å; M779-F913 HydrophobicContact CE-CZ 4.17Å; M779-F913 HydrophobicContact SD-CD2 4.23Å; M779-F913 HydrophobicContact SD-CE2 3.5Å; M779-F913 WeakPolarHBondContact SD-CE2 3.12Å; M779-F913 HydrophobicContact SD-CZ 4.29Å; W782-F913 AromaticContact CD1-CD1 3.94Å; W782-F913 AromaticContact CD1-CG 3.54Å; W782-F913 AromaticContact CD2-CD1 4Å; W782-F913 HydrophobicContact CD2-CD1 4Å; W782-F913 HydrophobicContact CD2-CD2 4.22Å; W782-F913 HydrophobicContact CD2-CE1 4.2Å; W782-F913 HydrophobicContact CD2-CE2 4.43Å; W782-F913 HydrophobicContact CD2-CG 4.01Å; W782-F913 HydrophobicContact CD2-CZ 4.42Å; W782-F913 AromaticContact CE2-CD1 3.29Å; W782-F913 AromaticContact CE2-CE1 3.63Å; W782-F913 AromaticContact CE2-CG 3.68Å; W782-F913 HydrophobicContact CE3-CZ 4.5Å; W782-F913 HydrophobicContact CG-CB 4.12Å; W782-F913 HydrophobicContact CG-CD1 4.37Å; W782-F913 HydrophobicContact CG-CD2 4.13Å; W782-F913 AromaticContact CG-CG 3.94Å; W782-F913 HydrophobicContact CG-CG 3.94Å; W782-F913 HydrophobicContact CH2-CD1 4.38Å; W782-F913 AromaticContact CH2-CE1 3.9Å; W782-F913 HydrophobicContact CH2-CE1 3.9Å; W782-F913 HydrophobicContact CH2-CZ 4.38Å; W782-F913 AromaticContact CZ2-CD1 3.52Å; W782-F913 HydrophobicContact CZ2-CD1 3.52Å; W782-F913 AromaticContact CZ2-CE1 3.47Å; W782-F913 HydrophobicContact CZ2-CE1 3.47Å; W782-F913 VanDerWaalsContact CZ2-CE1 3.47Å; W782-F913 HydrophobicContact CZ2-CG 4.35Å; W782-F913 HydrophobicContact CZ2-CZ 4.28Å; W782-F913 HydrophobicContact CZ3-CE1 4.41Å; W782-F913 HydrophobicContact CZ3-CZ 4.48Å; W782-F913 AromaticContact NE1-CD1 3.25Å; W782-F913 VanDerWaalsContact NE1-CD1 3.25Å; W782-F913 AromaticContact NE1-CG 3.36Å; V821-F913 HydrophobicContact CG1-CE1 3.69Å; V821-F913 HydrophobicContact CG1-CZ 3.42Å; V821-F913 VanDerWaalsContact CG1-CZ 3.42Å; E909-F913 VanDerWaalsContact O-CB 3.25Å; E909-F913 WeakPolarHBondContact O-CB 3.31Å; E909-F913 PolarHBondContact O-N 3.3Å; K911-F913 VanDerWaalsContact C-N 3.32Å; K911-F913 PolarHBondContact O-N 2.95Å; F913-L915 VanDerWaalsContact C-N 3.27Å; F913-L915 PolarHBondContact O-N 3.01Å; F913-V916 HydrophobicContact CD2-CB 4.01Å; F913-V916 HydrophobicContact CD2-CG1 4.17Å; F913-V916 HydrophobicContact CD2-CG2 4.26Å; F913-V916 HydrophobicContact CE2-CB 4.11Å; F913-V916 HydrophobicContact CE2-CG1 3.75Å; F913-V916 HydrophobicContact CG-CB 4.41Å; F913-V916 HydrophobicContact CZ-CG1 4.15Å; F913-V916 WeakPolarHBondContact O-CB 3.47Å; F913-V916 PolarHBondContact O-N 3.39Å; F913-V916 VanDerWaalsContact O-N 3.15Å; F913-Q917 HydrophobicContact CD1-CG 3.61Å; F913-Q917 HydrophobicContact CE1-CG 3.48Å; F913-Q917 VanDerWaalsContact CE1-CG 3.48Å; F913-Q917 HydrophobicContact CZ-CG 4.47Å; F913-Q917 WeakPolarHBondContact O-CG 3.5Å; F913-Q917 PolarHBondContact O-N 3.46Å; F913-F954 HydrophobicContact CB-CZ 4.36Å; F913-F954 AromaticContact CD2-CD1 3.75Å; F913-F954 HydrophobicContact CD2-CD1 3.75Å; F913-F954 HydrophobicContact CD2-CD2 4.42Å; F913-F954 AromaticContact CD2-CE1 3.6Å; F913-F954 HydrophobicContact CD2-CE1 3.6Å; F913-F954 HydrophobicContact CD2-CE2 4.32Å; F913-F954 HydrophobicContact CD2-CG 4.14Å; F913-F954 AromaticContact CD2-CZ 3.91Å; F913-F954 HydrophobicContact CD2-CZ 3.91Å; F913-F954 AromaticContact CE2-CD1 4Å; F913-F954 HydrophobicContact CE2-CD1 4Å; F913-F954 HydrophobicContact CE2-CE1 4.17Å
914	L	92.4	Very high	92.9	Very high	98 Å²	98	48.8 Å²	48.8	51%	0.513	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-38.4	173	-65.2	174	0	0	0	111.7	K911 D912 Q917 N918	K911-L914 WeakPolarHBondContact O-CB 3.47Å; K911-L914 PolarHBondContact O-N 3.27Å; D912-L914 PolarHBondContact O-N 3.13Å; L914-Q917 PolarHBondContact O-N 3.14Å; L914-N918 PolarHBondContact O-N 2.77Å; L914-N918 PolarHBondContact O-ND2 2.86Å
915	L	92.5	Very high	92.4	Very high	20 Å²	20	53.1 Å²	53.1	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-46.8	174	175.8	65.3	0	0	0	110.5	D912 F913 Q917 N918 V919 Q947 T950 L951 V995 C999	D912-L915 WeakPolarHBondContact O-CB 3.38Å; D912-L915 PolarHBondContact O-N 2.89Å; D912-L915 VanDerWaalsContact O-N 3.13Å; F913-L915 VanDerWaalsContact C-N 3.27Å; F913-L915 PolarHBondContact O-N 3.01Å; L915-Q917 VanDerWaalsContact C-N 3.33Å; L915-Q917 PolarHBondContact O-N 3Å; L915-N918 PolarHBondContact O-N 3.14Å; L915-N918 VanDerWaalsContact O-N 3.14Å; L915-V919 HydrophobicContact CD1-CG2 4.39Å; L915-V919 WeakPolarHBondContact O-CG2 3.48Å; L915-V919 PolarHBondContact O-N 3.11Å; L915-Q947 HydrophobicContact CD2-CB 3.7Å; L915-Q947 HydrophobicContact CD2-CG 3.75Å; L915-T950 HydrophobicContact CD2-CG2 4.1Å; L915-L951 HydrophobicContact CD2-CD2 4.25Å; L915-L951 HydrophobicContact CD2-CG 4.18Å; L915-L951 HydrophobicContact CG-CD2 4.24Å; L915-V995 HydrophobicContact CD1-CG1 4.19Å; L915-C999 HydrophobicContact CD1-CB 4.47Å
916	V	93.1	Very high	91.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-45.2	178.5	176	0	0	0	0	111	F913 N918 V919 V920 T950 L951 F954 V958	F913-V916 HydrophobicContact CD2-CB 4.01Å; F913-V916 HydrophobicContact CD2-CG1 4.17Å; F913-V916 HydrophobicContact CD2-CG2 4.26Å; F913-V916 HydrophobicContact CE2-CB 4.11Å; F913-V916 HydrophobicContact CE2-CG1 3.75Å; F913-V916 HydrophobicContact CG-CB 4.41Å; F913-V916 HydrophobicContact CZ-CG1 4.15Å; F913-V916 WeakPolarHBondContact O-CB 3.47Å; F913-V916 PolarHBondContact O-N 3.39Å; F913-V916 VanDerWaalsContact O-N 3.15Å; V916-N918 VanDerWaalsContact C-N 3.34Å; V916-N918 PolarHBondContact O-N 2.81Å; V916-V919 PolarHBondContact O-N 3.42Å; V916-V920 HydrophobicContact CG1-CG2 4.37Å; V916-V920 WeakPolarHBondContact O-CB 3.32Å; V916-V920 VanDerWaalsContact O-CG2 3.27Å; V916-V920 WeakPolarHBondContact O-CG2 3.09Å; V916-V920 PolarHBondContact O-N 2.73Å; V916-T950 HydrophobicContact CG2-CG2 4.4Å; V916-L951 HydrophobicContact CG2-CD2 4.35Å; V916-F954 HydrophobicContact CG1-CB 4.32Å; V916-F954 HydrophobicContact CG2-CB 3.54Å; V916-F954 HydrophobicContact CG2-CD2 3.65Å; V916-F954 HydrophobicContact CG2-CG 3.76Å; V916-V958 HydrophobicContact CG1-CG2 3.69Å; V916-V958 HydrophobicContact CG2-CG2 4.34Å
917	Q	91.6	Very high	91.3	Very high	74 Å²	74	46.4 Å²	46.4	35%	0.346	22%	0.215	S	C	.	.	H	α-helix	trans	-61.3	-41.7	176.7	-71.8	-178.2	-35.6	0	0	112.3	F913 L914 L915 V920 R921	F913-Q917 HydrophobicContact CD1-CG 3.61Å; F913-Q917 HydrophobicContact CE1-CG 3.48Å; F913-Q917 VanDerWaalsContact CE1-CG 3.48Å; F913-Q917 HydrophobicContact CZ-CG 4.47Å; F913-Q917 WeakPolarHBondContact O-CG 3.5Å; F913-Q917 PolarHBondContact O-N 3.46Å; L914-Q917 PolarHBondContact O-N 3.14Å; L915-Q917 VanDerWaalsContact C-N 3.33Å; L915-Q917 PolarHBondContact O-N 3Å; Q917-V920 PolarHBondContact O-N 3.02Å; Q917-R921 VanDerWaalsContact O-CB 3.31Å; Q917-R921 WeakPolarHBondContact O-CB 3.32Å; Q917-R921 PolarHBondContact O-N 2.87Å
918	N	89.4	Confident	90.6	Very high	50 Å²	50	47.3 Å²	47.3	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-66.2	-43	176.8	-74.4	-37.4	0	0	0	111.5	L914 L915 V916 R921 V922 V995	L914-N918 PolarHBondContact O-N 2.77Å; L914-N918 PolarHBondContact O-ND2 2.86Å; L915-N918 PolarHBondContact O-N 3.14Å; L915-N918 VanDerWaalsContact O-N 3.14Å; V916-N918 VanDerWaalsContact C-N 3.34Å; V916-N918 PolarHBondContact O-N 2.81Å; N918-R921 WeakPolarHBondContact O-CB 3.44Å; N918-R921 PolarHBondContact O-N 3.29Å; N918-R921 VanDerWaalsContact OD1-CZ 3.26Å; N918-R921 PolarHBondContact OD1-NH1 3.47Å; N918-R921 PolarHBondContact OD1-NH2 3.2Å; N918-R921 VanDerWaalsContact OD1-NH2 3.11Å; N918-V922 WeakPolarHBondContact O-CG2 3.15Å; N918-V922 PolarHBondContact O-N 3.45Å; N918-V995 HydrophobicContact CB-CG1 3.66Å
919	V	92.6	Very high	89.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-51.1	173.4	162.1	0	0	0	0	110.9	L915 V916 R921 V922 A923 L951 V958 V995 L1001	L915-V919 HydrophobicContact CD1-CG2 4.39Å; L915-V919 WeakPolarHBondContact O-CG2 3.48Å; L915-V919 PolarHBondContact O-N 3.11Å; V916-V919 PolarHBondContact O-N 3.42Å; V919-R921 VanDerWaalsContact C-N 3.3Å; V919-R921 PolarHBondContact O-N 2.93Å; V919-V922 PolarHBondContact O-N 3.36Å; V919-A923 VanDerWaalsContact O-CB 3.3Å; V919-A923 WeakPolarHBondContact O-CB 3.42Å; V919-A923 PolarHBondContact O-N 2.9Å; V919-L951 HydrophobicContact CB-CD2 4.25Å; V919-L951 HydrophobicContact CG1-CD2 4.32Å; V919-L951 HydrophobicContact CG2-CD1 4.34Å; V919-L951 HydrophobicContact CG2-CD2 3.79Å; V919-V958 HydrophobicContact CG1-CG1 3.74Å; V919-V995 HydrophobicContact CG2-CG1 3.92Å; V919-V995 HydrophobicContact CG2-CG2 4.07Å; V919-L1001 HydrophobicContact CB-CD1 4.38Å; V919-L1001 HydrophobicContact CG1-CD1 3.95Å; V919-L1001 HydrophobicContact CG1-CD2 4.14Å; V919-L1001 VanDerWaalsContact O-CD1 3.32Å; V919-L1001 WeakPolarHBondContact O-CD1 3.27Å
920	V	92.1	Very high	88.4	Confident	10 Å²	10	43.8 Å²	43.8	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-41.9	178.1	168.7	0	0	0	0	111.5	V916 Q917 R924 L961 S962	V916-V920 HydrophobicContact CG1-CG2 4.37Å; V916-V920 WeakPolarHBondContact O-CB 3.32Å; V916-V920 VanDerWaalsContact O-CG2 3.27Å; V916-V920 WeakPolarHBondContact O-CG2 3.09Å; V916-V920 PolarHBondContact O-N 2.73Å; Q917-V920 PolarHBondContact O-N 3.02Å; V920-R924 HydrophobicContact CG1-CG 4.45Å; V920-R924 WeakPolarHBondContact O-CB 3.37Å; V920-R924 VanDerWaalsContact O-CG 3.3Å; V920-R924 WeakPolarHBondContact O-CG 3.42Å; V920-R924 PolarHBondContact O-N 3.26Å; V920-L961 HydrophobicContact CB-CB 4.43Å; V920-L961 HydrophobicContact CG1-CB 3.73Å; V920-L961 HydrophobicContact CG2-CB 3.74Å; V920-L961 HydrophobicContact CG2-CD1 4.37Å; V920-S962 WeakPolarHBondContact CA-OG 3.35Å; V920-S962 WeakPolarHBondContact CG2-OG 3.44Å
921	R	91.6	Very high	87.2	Confident	137 Å²	137	44.6 Å²	44.6	52%	0.517	23%	0.228	S	C	.	.	H	α-helix	trans	-61.3	-48	177.7	-179.6	-174.5	68.1	-170.7	-0.9	111.2	Q917 N918 V919 F925	Q917-R921 VanDerWaalsContact O-CB 3.31Å; Q917-R921 WeakPolarHBondContact O-CB 3.32Å; Q917-R921 PolarHBondContact O-N 2.87Å; N918-R921 WeakPolarHBondContact O-CB 3.44Å; N918-R921 PolarHBondContact O-N 3.29Å; N918-R921 VanDerWaalsContact OD1-CZ 3.26Å; N918-R921 PolarHBondContact OD1-NH1 3.47Å; N918-R921 PolarHBondContact OD1-NH2 3.2Å; N918-R921 VanDerWaalsContact OD1-NH2 3.11Å; V919-R921 VanDerWaalsContact C-N 3.3Å; V919-R921 PolarHBondContact O-N 2.93Å; R921-F925 WeakPolarHBondContact O-CB 3.48Å; R921-F925 PolarHBondContact O-N 3.03Å
922	V	87.8	Confident	86.5	Confident	14 Å²	14	40 Å²	40	9%	0.085	21%	0.21	C	C	.	.	H	α-helix	trans	-68.9	-41.9	-179.7	175	0	0	0	0	110.8	N918 V919 R924 F925 L926 V995 L1001	N918-V922 WeakPolarHBondContact O-CG2 3.15Å; N918-V922 PolarHBondContact O-N 3.45Å; V919-V922 PolarHBondContact O-N 3.36Å; V922-R924 PolarHBondContact O-N 3.32Å; V922-F925 WeakPolarHBondContact O-CB 3.13Å; V922-F925 PolarHBondContact O-N 3.38Å; V922-F925 VanDerWaalsContact O-N 3.16Å; V922-L926 HydrophobicContact CG1-CD1 4.29Å; V922-L926 HydrophobicContact CG1-CG 4.41Å; V922-L926 WeakPolarHBondContact O-CG 3.4Å; V922-L926 PolarHBondContact O-N 2.98Å; V922-V995 HydrophobicContact CB-CG2 4.16Å; V922-V995 HydrophobicContact CG1-CG2 4.28Å; V922-V995 HydrophobicContact CG2-CG2 4.16Å; V922-L1001 HydrophobicContact CB-CD1 3.92Å; V922-L1001 HydrophobicContact CG1-CB 4.36Å; V922-L1001 HydrophobicContact CG1-CD1 3.89Å
923	A	89.4	Confident	85.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-48.3	175.7	0	0	0	0	0	112.1	V919 F925 L926 R927 M939 L1001	V919-A923 VanDerWaalsContact O-CB 3.3Å; V919-A923 WeakPolarHBondContact O-CB 3.42Å; V919-A923 PolarHBondContact O-N 2.9Å; A923-F925 VanDerWaalsContact C-N 3.28Å; A923-F925 PolarHBondContact O-N 3.19Å; A923-L926 PolarHBondContact O-N 2.9Å; A923-R927 WeakPolarHBondContact O-CG 3.47Å; A923-R927 PolarHBondContact O-N 3.47Å; A923-M939 HydrophobicContact CB-CE 4.04Å; A923-M939 HydrophobicContact CB-SD 3.65Å; A923-L1001 HydrophobicContact CB-CD1 4.06Å
924	R	89.2	Confident	84.5	Confident	100 Å²	100	52.7 Å²	52.7	38%	0.377	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-36.9	175.3	-74.3	177.6	176.4	175	0.5	112	V920 V922 A928 L961	V920-R924 HydrophobicContact CG1-CG 4.45Å; V920-R924 WeakPolarHBondContact O-CB 3.37Å; V920-R924 VanDerWaalsContact O-CG 3.3Å; V920-R924 WeakPolarHBondContact O-CG 3.42Å; V920-R924 PolarHBondContact O-N 3.26Å; V922-R924 PolarHBondContact O-N 3.32Å; R924-A928 WeakPolarHBondContact O-CB 3.48Å; R924-A928 PolarHBondContact O-N 3.23Å; R924-L961 PolarHBondContact NE-O 3.37Å; R924-L961 PolarHBondContact NH2-O 3.08Å
925	F	85	Confident	84	Confident	91 Å²	91	53 Å²	53	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-49.4	175.7	172.9	-100.9	0	0	0	111.7	R921 V922 A923 R927 A928 Q929	R921-F925 WeakPolarHBondContact O-CB 3.48Å; R921-F925 PolarHBondContact O-N 3.03Å; V922-F925 WeakPolarHBondContact O-CB 3.13Å; V922-F925 PolarHBondContact O-N 3.38Å; V922-F925 VanDerWaalsContact O-N 3.16Å; A923-F925 VanDerWaalsContact C-N 3.28Å; A923-F925 PolarHBondContact O-N 3.19Å; F925-R927 VanDerWaalsContact C-N 3.33Å; F925-R927 PolarHBondContact O-N 2.81Å; F925-A928 PolarHBondContact O-N 3.48Å; F925-Q929 HydrophobicContact CE1-CG 4.18Å; F925-Q929 HydrophobicContact CE2-CG 4.28Å; F925-Q929 VanDerWaalsContact CZ-CD 3.48Å; F925-Q929 HydrophobicContact CZ-CG 4.05Å; F925-Q929 WeakPolarHBondContact O-CG 3.47Å; F925-Q929 PolarHBondContact O-N 3.33Å
926	L	83.1	Confident	83.6	Confident	1 Å²	1	60 Å²	60	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-42.7	176.6	-68.5	175	0	0	0	111.7	V922 A923 A928 Q929 C930 M939 L991 L1001 L1003	V922-L926 HydrophobicContact CG1-CD1 4.29Å; V922-L926 HydrophobicContact CG1-CG 4.41Å; V922-L926 WeakPolarHBondContact O-CG 3.4Å; V922-L926 PolarHBondContact O-N 2.98Å; A923-L926 PolarHBondContact O-N 2.9Å; L926-A928 PolarHBondContact O-N 2.83Å; L926-Q929 PolarHBondContact O-N 3.24Å; L926-C930 PolarHBondContact O-N 2.94Å; L926-C930 VanDerWaalsContact O-N 3.15Å; L926-C930 PolarHBondContact O-SG 3.4Å; L926-M939 HydrophobicContact CB-CE 4.43Å; L926-L991 HydrophobicContact CD2-CB 4.39Å; L926-L1001 HydrophobicContact CD1-CB 4.13Å; L926-L1003 HydrophobicContact CB-CD2 3.98Å; L926-L1003 HydrophobicContact CD1-CB 4.28Å
927	R	86.2	Confident	83.2	Confident	13 Å²	13	61 Å²	61	5%	0.049	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-45.9	175.2	-74	177.4	65.6	-129.1	-1.9	112.5	A923 F925 Q929 C930 G931 L932 E935 P937 M939 S962 Q963	A923-R927 WeakPolarHBondContact O-CG 3.47Å; A923-R927 PolarHBondContact O-N 3.47Å; F925-R927 VanDerWaalsContact C-N 3.33Å; F925-R927 PolarHBondContact O-N 2.81Å; R927-Q929 VanDerWaalsContact C-N 3.3Å; R927-Q929 PolarHBondContact O-N 3.24Å; R927-C930 CarbonylContact O-C 3.54Å; R927-C930 PolarHBondContact O-N 2.85Å; R927-C930 VanDerWaalsContact O-N 3.17Å; R927-G931 PolarHBondContact O-N 2.93Å; R927-L932 HydrophobicContact CB-CB 4.23Å; R927-L932 HydrophobicContact CG-CD1 4.44Å; R927-L932 PolarHBondContact O-N 3.3Å; R927-E935 PolarHBondContact NH2-O 3.06Å; R927-P937 HydrophobicContact CG-CG 4.11Å; R927-M939 HydrophobicContact CG-CE 3.71Å; R927-S962 VanDerWaalsContact CD-O 3.29Å; R927-S962 WeakPolarHBondContact CD-O 3.36Å; R927-S962 PolarHBondContact NH1-O 3.47Å; R927-Q963 PolarHBondContact NE-O 2.91Å; R927-Q963 VanDerWaalsContact NH2-OE1 3.14Å
928	A	81.7	Confident	83	Confident	73 Å²	73	59.7 Å²	59.7	60%	0.603	30%	0.3	S	S	*	.	H	α-helix	trans	-63.6	-36	178.4	0	0	0	0	0	112.1	R924 F925 L926 C930 G931	R924-A928 WeakPolarHBondContact O-CB 3.48Å; R924-A928 PolarHBondContact O-N 3.23Å; F925-A928 PolarHBondContact O-N 3.48Å; L926-A928 PolarHBondContact O-N 2.83Å; A928-C930 VanDerWaalsContact C-N 3.31Å; A928-C930 PolarHBondContact O-N 3.3Å; A928-G931 PolarHBondContact O-N 3.14Å
929	Q	71.1	Confident	83	Confident	34 Å²	34	57.3 Å²	57.3	16%	0.159	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-36.7	173.8	-74.2	-171.7	-42.5	0	0	112.6	F925 L926 R927 G931	F925-Q929 HydrophobicContact CE1-CG 4.18Å; F925-Q929 HydrophobicContact CE2-CG 4.28Å; F925-Q929 VanDerWaalsContact CZ-CD 3.48Å; F925-Q929 HydrophobicContact CZ-CG 4.05Å; F925-Q929 WeakPolarHBondContact O-CG 3.47Å; F925-Q929 PolarHBondContact O-N 3.33Å; L926-Q929 PolarHBondContact O-N 3.24Å; R927-Q929 VanDerWaalsContact C-N 3.3Å; R927-Q929 PolarHBondContact O-N 3.24Å; Q929-G931 VanDerWaalsContact C-N 3.27Å; Q929-G931 PolarHBondContact O-N 2.92Å
930	C	71.2	Confident	82.9	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.095	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	4.5	176.8	-63.3	0	0	0	0	114.2	L926 R927 A928 L932 L991 L1014	L926-C930 PolarHBondContact O-N 2.94Å; L926-C930 VanDerWaalsContact O-N 3.15Å; L926-C930 PolarHBondContact O-SG 3.4Å; R927-C930 CarbonylContact O-C 3.54Å; R927-C930 PolarHBondContact O-N 2.85Å; R927-C930 VanDerWaalsContact O-N 3.17Å; A928-C930 VanDerWaalsContact C-N 3.31Å; A928-C930 PolarHBondContact O-N 3.3Å; C930-L932 HydrophobicContact CB-CD1 3.88Å; C930-L932 HydrophobicContact CB-CG 3.69Å; C930-L932 PolarHBondContact O-N 3.44Å; C930-L991 WeakPolarHBondContact SG-CD1 3.34Å; C930-L1014 HydrophobicContact CB-CD1 4.49Å
931	G	69.8	Low	82.8	Confident	46 Å²	46	57.8 Å²	57.8	47%	0.474	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	15.8	-175.2	0	0	0	0	0	114.4	R927 A928 Q929 V933	R927-G931 PolarHBondContact O-N 2.93Å; A928-G931 PolarHBondContact O-N 3.14Å; Q929-G931 VanDerWaalsContact C-N 3.27Å; Q929-G931 PolarHBondContact O-N 2.92Å; G931-V933 PolarHBondContact O-N 2.96Å; G931-V933 VanDerWaalsContact O-N 3.09Å
932	L	77.7	Confident	82.7	Confident	32 Å²	32	52.3 Å²	52.3	17%	0.168	27%	0.269	C	S	.	.			trans	-78	96.7	-177.4	-59.6	174.9	0	0	0	110.2	R927 C930 E935 P937 L1003	R927-L932 HydrophobicContact CB-CB 4.23Å; R927-L932 HydrophobicContact CG-CD1 4.44Å; R927-L932 PolarHBondContact O-N 3.3Å; C930-L932 HydrophobicContact CB-CD1 3.88Å; C930-L932 HydrophobicContact CB-CG 3.69Å; C930-L932 PolarHBondContact O-N 3.44Å; L932-E935 VanDerWaalsContact CA-OE2 3.31Å; L932-E935 WeakPolarHBondContact CA-OE2 3.28Å; L932-E935 HydrophobicContact CD2-CB 4.09Å; L932-E935 HydrophobicContact CD2-CG 4.1Å; L932-P937 HydrophobicContact CD1-CB 4.37Å; L932-P937 HydrophobicContact CD1-CG 3.99Å; L932-L1003 HydrophobicContact CD1-CD2 4.26Å
933	V	72.4	Confident	82.7	Confident	112 Å²	112	51.8 Å²	51.8	68%	0.679	27%	0.266	S	S	*	.	S	Bend	trans	-92.4	-38.6	-176.8	-177.7	0	0	0	0	111.8	G931 E935	G931-V933 PolarHBondContact O-N 2.96Å; G931-V933 VanDerWaalsContact O-N 3.09Å; V933-E935 PolarHBondContact N-OE2 3.26Å
934	K	75.4	Confident	82.6	Confident	185 Å²	185	53.3 Å²	53.3	80%	0.804	28%	0.277	S	S	*	.	S	Bend	trans	-118.5	-24.6	-175.6	-67.7	-177.1	-177	173.8	0	113
935	E	80.3	Confident	82.4	Confident	105 Å²	105	51.2 Å²	51.2	49%	0.491	28%	0.276	S	S	.	.			trans	-65	143.6	179.3	-57.5	82.2	-172.7	0	0	110.9	R927 L932 V933 P937	R927-E935 PolarHBondContact NH2-O 3.06Å; L932-E935 VanDerWaalsContact CA-OE2 3.31Å; L932-E935 WeakPolarHBondContact CA-OE2 3.28Å; L932-E935 HydrophobicContact CD2-CB 4.09Å; L932-E935 HydrophobicContact CD2-CG 4.1Å; V933-E935 PolarHBondContact N-OE2 3.26Å; E935-P937 VanDerWaalsContact O-CD 3.3Å; E935-P937 WeakPolarHBondContact O-CD 3.22Å
936	R	84.6	Confident	82.4	Confident	167 Å²	167	50.6 Å²	50.6	63%	0.63	28%	0.283	S	S	*	.			trans	-111.6	82.9	174.1	-65.6	-171	-178.7	-174.7	-0.4	108.9	Q963 S965	R936-Q963 WeakPolarHBondContact CA-O 3.37Å; R936-Q963 HydrophobicContact CG-CB 4.48Å; R936-S965 WeakPolarHBondContact O-CB 3.49Å; R936-S965 PolarHBondContact O-N 3.35Å; R936-S965 PolarHBondContact O-OG 2.97Å
937	P	85.7	Confident	82.7	Confident	20 Å²	20	51.5 Å²	51.5	13%	0.13	29%	0.287	C	S	.	.			trans	-70.7	163.9	-175.1	31.5	-37.2	0	0	0	111.7	R927 L932 E935 M939 I964 S965 L1003	R927-P937 HydrophobicContact CG-CG 4.11Å; L932-P937 HydrophobicContact CD1-CB 4.37Å; L932-P937 HydrophobicContact CD1-CG 3.99Å; E935-P937 VanDerWaalsContact O-CD 3.3Å; E935-P937 WeakPolarHBondContact O-CD 3.22Å; P937-M939 HydrophobicContact CG-CE 4.32Å; P937-I964 HydrophobicContact CG-CG2 4.35Å; P937-I964 WeakPolarHBondContact O-CA 3.36Å; P937-I964 WeakPolarHBondContact O-CB 3.4Å; P937-S965 VanDerWaalsContact C-OG 3.26Å; P937-S965 PolarHBondContact O-N 3Å; P937-S965 PolarHBondContact O-OG 2.86Å; P937-L1003 HydrophobicContact CB-CD1 3.47Å; P937-L1003 VanDerWaalsContact CB-CD1 3.47Å; P937-L1003 HydrophobicContact CG-CD1 3.53Å
938	V	85.9	Confident	82.8	Confident	47 Å²	47	51.3 Å²	51.3	29%	0.285	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.7	166.2	179.4	0	0	0	0	108.7	W940 S965 S966 Q968	V938-W940 HydrophobicContact CB-CH2 4.21Å; V938-W940 HydrophobicContact CB-CZ3 4.16Å; V938-W940 HydrophobicContact CG1-CE3 4.29Å; V938-W940 HydrophobicContact CG1-CH2 3.65Å; V938-W940 HydrophobicContact CG1-CZ2 4.15Å; V938-W940 HydrophobicContact CG1-CZ3 3.72Å; V938-S965 WeakPolarHBondContact CG2-OG 3.3Å; V938-S965 PolarHBondContact N-OG 3.49Å; V938-S966 WeakPolarHBondContact CG1-OG 3.47Å; V938-Q968 HydrophobicContact CG1-CG 4.05Å
939	M	90.1	Very high	83.1	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.4	174.2	-69.9	-172.8	177.4	0	0	111	A923 L926 R927 P937 I964 S966 L967 Q968 H1002 L1003	A923-M939 HydrophobicContact CB-CE 4.04Å; A923-M939 HydrophobicContact CB-SD 3.65Å; L926-M939 HydrophobicContact CB-CE 4.43Å; R927-M939 HydrophobicContact CG-CE 3.71Å; P937-M939 HydrophobicContact CG-CE 4.32Å; M939-I964 HydrophobicContact CB-CD1 4.44Å; M939-I964 HydrophobicContact CE-CG2 3.91Å; M939-I964 HydrophobicContact CG-CG2 4.03Å; M939-I964 HydrophobicContact SD-CG2 3.75Å; M939-S966 PolarHBondContact N-O 2.93Å; M939-S966 VanDerWaalsContact N-O 3.09Å; M939-L967 HydrophobicContact CB-CD1 4Å; M939-L967 CarbonylContact O-C 3.27Å; M939-L967 WeakPolarHBondContact O-CA 3.4Å; M939-Q968 PolarHBondContact O-N 3.17Å; M939-H1002 CarbonylContact C-O 3.49Å; M939-H1002 VanDerWaalsContact CA-O 3.29Å; M939-H1002 WeakPolarHBondContact CA-O 3.39Å; M939-L1003 HydrophobicContact CE-CB 4.21Å; M939-L1003 HydrophobicContact CE-CD1 3.77Å; M939-L1003 HydrophobicContact CE-CD2 4.12Å; M939-L1003 HydrophobicContact CE-CG 4.25Å; M939-L1003 HydrophobicContact CG-CB 4.41Å; M939-L1003 HydrophobicContact CG-CD1 3.96Å
940	W	90.4	Very high	84.1	Confident	22 Å²	22	52.6 Å²	52.6	8%	0.083	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.1	171.1	-66.8	-114	0	0	0	109.7	V938 Q968 T984 P986 P987 L1001 H1002 H1004	V938-W940 HydrophobicContact CB-CH2 4.21Å; V938-W940 HydrophobicContact CB-CZ3 4.16Å; V938-W940 HydrophobicContact CG1-CE3 4.29Å; V938-W940 HydrophobicContact CG1-CH2 3.65Å; V938-W940 HydrophobicContact CG1-CZ2 4.15Å; V938-W940 HydrophobicContact CG1-CZ3 3.72Å; W940-Q968 CarbonylContact C-O 3.59Å; W940-Q968 WeakPolarHBondContact CA-O 3.21Å; W940-Q968 HydrophobicContact CB-CB 4.41Å; W940-Q968 VanDerWaalsContact CD1-CB 3.4Å; W940-Q968 HydrophobicContact CD2-CB 4.18Å; W940-Q968 HydrophobicContact CD2-CG 4.4Å; W940-Q968 HydrophobicContact CG-CB 3.77Å; W940-Q968 HydrophobicContact CG-CG 4.49Å; W940-Q968 HydrophobicContact CZ2-CG 4.37Å; W940-T984 PolarHBondContact NE1-O 2.8Å; W940-P986 HydrophobicContact CB-CB 4.12Å; W940-P986 HydrophobicContact CG-CB 4.15Å; W940-P987 HydrophobicContact CH2-CG 3.83Å; W940-P987 HydrophobicContact CZ2-CG 3.83Å; W940-P987 HydrophobicContact CZ3-CG 4.32Å; W940-L1001 CarbonylContact O-C 3.56Å; W940-L1001 VanDerWaalsContact O-CA 3.31Å; W940-L1001 WeakPolarHBondContact O-CA 3.36Å; W940-H1002 HydrophobicContact CB-CB 4.17Å; W940-H1002 PolarHBondContact N-O 2.85Å; W940-H1002 PolarHBondContact O-N 2.99Å; W940-H1004 HydrophobicContact CE3-CB 4.4Å; W940-H1004 HydrophobicContact CH2-CB 4.03Å; W940-H1004 HydrophobicContact CZ3-CB 3.48Å; W940-H1004 VanDerWaalsContact CZ3-CB 3.48Å
941	A	90.7	Very high	85	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.7	165.6	0	0	0	0	0	108.7	L951 L967 Q968 I969 Y970 Q1000 L1001	A941-L951 HydrophobicContact CB-CD1 3.91Å; A941-L967 HydrophobicContact CB-CD1 4.11Å; A941-L967 HydrophobicContact CB-CD2 4.25Å; A941-L967 HydrophobicContact CB-CG 4.29Å; A941-Q968 PolarHBondContact N-O 2.93Å; A941-I969 WeakPolarHBondContact O-CA 3.33Å; A941-Y970 PolarHBondContact O-N 3.22Å; A941-Q1000 CarbonylContact C-O 3.53Å; A941-Q1000 WeakPolarHBondContact CA-O 3.41Å; A941-L1001 HydrophobicContact CB-CD2 3.88Å
942	V	89.4	Confident	85.9	Confident	22 Å²	22	54.1 Å²	54.1	13%	0.133	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.2	168	179.3	0	0	0	0	107.1	Y970 P972 P986 C999 Q1000 H1002	V942-Y970 VanDerWaalsContact CA-O 3.27Å; V942-Y970 WeakPolarHBondContact CA-O 3.29Å; V942-Y970 HydrophobicContact CG1-CD1 4.12Å; V942-Y970 HydrophobicContact CG2-CD1 4.02Å; V942-P972 HydrophobicContact CG1-CG 3.74Å; V942-P986 HydrophobicContact CG2-CG 3.93Å; V942-C999 CarbonylContact O-C 3.56Å; V942-C999 WeakPolarHBondContact O-CA 3.43Å; V942-Q1000 HydrophobicContact CB-CB 4.44Å; V942-Q1000 PolarHBondContact N-O 2.93Å; V942-Q1000 PolarHBondContact O-N 3.4Å; V942-H1002 VanDerWaalsContact CG2-NE2 3.33Å; V942-H1002 WeakPolarHBondContact CG2-NE2 3.48Å
943	C	88.3	Confident	86.5	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.02	29%	0.288	C	S	.	.			trans	-148.7	171.9	-172.4	61.2	0	0	0	0	113.7	Q947 Y970 C971 T998 C999	C943-Q947 HydrophobicContact CB-CB 3.92Å; C943-Y970 PolarHBondContact N-O 3.35Å; C943-C971 PolarHBondContact O-SG 3.36Å; C943-C971 VanDerWaalsContact O-SG 3.33Å; C943-T998 VanDerWaalsContact CA-O 3.3Å; C943-T998 WeakPolarHBondContact CA-O 3.3Å; C943-C999 HydrophobicContact CB-CB 3.97Å
944	S	86.8	Confident	87.4	Confident	32 Å²	32	52.2 Å²	52.2	22%	0.224	26%	0.257	C	S	.	.			trans	-71	158.1	172.4	62.7	0	0	0	0	112.2	S946 Q947 A948	S944-S946 VanDerWaalsContact C-N 3.31Å; S944-S946 PolarHBondContact O-N 3.38Å; S944-S946 PolarHBondContact OG-OG 3.13Å; S944-Q947 WeakPolarHBondContact O-CB 3.49Å; S944-Q947 PolarHBondContact O-N 3.26Å; S944-Q947 VanDerWaalsContact O-N 3.12Å; S944-Q947 VanDerWaalsContact OG-CG 3.26Å; S944-Q947 WeakPolarHBondContact OG-CG 3.34Å; S944-Q947 PolarHBondContact OG-OE1 2.97Å; S944-A948 PolarHBondContact O-N 3.18Å
945	P	84	Confident	88	Confident	57 Å²	57	43.8 Å²	43.8	37%	0.37	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-37.1	-178.8	-27.9	35.9	0	0	0	114.7	A948 Q949 Q974	P945-A948 WeakPolarHBondContact O-CB 3.33Å; P945-A948 PolarHBondContact O-N 3.17Å; P945-Q949 PolarHBondContact O-N 2.98Å; P945-Q949 VanDerWaalsContact O-N 3.07Å; P945-Q974 HydrophobicContact CG-CG 4.41Å
946	S	85.9	Confident	88.3	Confident	78 Å²	78	41.4 Å²	41.4	55%	0.545	22%	0.217	S	C	.	.	H	α-helix	trans	-66.4	-42.6	176.9	54.7	0	0	0	0	111.7	S944 Q949 T950	S944-S946 VanDerWaalsContact C-N 3.31Å; S944-S946 PolarHBondContact O-N 3.38Å; S944-S946 PolarHBondContact OG-OG 3.13Å; S946-Q949 PolarHBondContact O-N 3.34Å; S946-T950 PolarHBondContact O-N 3.07Å
947	Q	88.8	Confident	88.5	Confident	20 Å²	20	33.5 Å²	33.5	9%	0.093	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-39.6	175.4	-70.6	178.4	-45.7	0	0	111.7	L915 C943 S944 Q949 T950 L951 D996 T998	L915-Q947 HydrophobicContact CD2-CB 3.7Å; L915-Q947 HydrophobicContact CD2-CG 3.75Å; C943-Q947 HydrophobicContact CB-CB 3.92Å; S944-Q947 WeakPolarHBondContact O-CB 3.49Å; S944-Q947 PolarHBondContact O-N 3.26Å; S944-Q947 VanDerWaalsContact O-N 3.12Å; S944-Q947 VanDerWaalsContact OG-CG 3.26Å; S944-Q947 WeakPolarHBondContact OG-CG 3.34Å; S944-Q947 PolarHBondContact OG-OE1 2.97Å; Q947-Q949 VanDerWaalsContact C-N 3.34Å; Q947-Q949 PolarHBondContact O-N 2.81Å; Q947-T950 PolarHBondContact O-N 3.41Å; Q947-L951 WeakPolarHBondContact O-CG 3.3Å; Q947-L951 PolarHBondContact O-N 3.18Å; Q947-D996 PolarHBondContact NE2-OD1 3.47Å; Q947-D996 PolarHBondContact NE2-OD2 3.39Å; Q947-T998 PolarHBondContact NE2-OG1 3.16Å; Q947-T998 PolarHBondContact OE1-O 2.87Å; Q947-T998 PolarHBondContact OE1-OG1 3.48Å
948	A	88	Confident	88.7	Confident	8 Å²	8	32.5 Å²	32.5	7%	0.066	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-47.2	174	0	0	0	0	0	111.4	S944 P945 T950 L951 L952 I969	S944-A948 PolarHBondContact O-N 3.18Å; P945-A948 WeakPolarHBondContact O-CB 3.33Å; P945-A948 PolarHBondContact O-N 3.17Å; A948-T950 VanDerWaalsContact C-N 3.33Å; A948-T950 PolarHBondContact O-N 3.18Å; A948-L951 PolarHBondContact O-N 2.82Å; A948-L952 VanDerWaalsContact O-CG 3.3Å; A948-L952 WeakPolarHBondContact O-CG 3.33Å; A948-L952 PolarHBondContact O-N 2.64Å; A948-I969 HydrophobicContact CB-CG2 3.55Å
949	Q	89.3	Confident	88.8	Confident	129 Å²	129	35.6 Å²	35.6	60%	0.603	19%	0.188	S	C	*	.	H	α-helix	trans	-59.9	-41.7	177.4	-169.5	175.8	21.9	0	0	112.3	P945 S946 Q947 L952 R953	P945-Q949 PolarHBondContact O-N 2.98Å; P945-Q949 VanDerWaalsContact O-N 3.07Å; S946-Q949 PolarHBondContact O-N 3.34Å; Q947-Q949 VanDerWaalsContact C-N 3.34Å; Q947-Q949 PolarHBondContact O-N 2.81Å; Q949-L952 PolarHBondContact O-N 2.7Å; Q949-R953 WeakPolarHBondContact O-CG 3.22Å; Q949-R953 PolarHBondContact O-N 2.97Å
950	T	91.1	Very high	88.7	Confident	6 Å²	6	37.5 Å²	37.5	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-44.5	175.4	-68.1	0	0	0	0	112.1	D912 L915 V916 S946 Q947 A948 L952 R953 F954	D912-T950 HydrophobicContact CB-CG2 3.63Å; D912-T950 WeakPolarHBondContact O-CG2 3.35Å; D912-T950 PolarHBondContact OD1-OG1 3.2Å; L915-T950 HydrophobicContact CD2-CG2 4.1Å; V916-T950 HydrophobicContact CG2-CG2 4.4Å; S946-T950 PolarHBondContact O-N 3.07Å; Q947-T950 PolarHBondContact O-N 3.41Å; A948-T950 VanDerWaalsContact C-N 3.33Å; A948-T950 PolarHBondContact O-N 3.18Å; T950-L952 VanDerWaalsContact C-N 3.3Å; T950-L952 PolarHBondContact O-N 3.27Å; T950-R953 PolarHBondContact O-N 3.47Å; T950-R953 PolarHBondContact OG1-NH2 3.06Å; T950-F954 HydrophobicContact CG2-CD2 4.11Å; T950-F954 HydrophobicContact CG2-CE2 4.42Å; T950-F954 WeakPolarHBondContact O-CD2 3.48Å; T950-F954 PolarHBondContact O-N 3.36Å; T950-F954 VanDerWaalsContact O-N 3.14Å
951	L	90.4	Very high	88.7	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-31.9	178.2	-66.2	177.1	0	0	0	112.9	L915 V916 V919 A941 Q947 A948 F954 G955 V958 L967 I969	L915-L951 HydrophobicContact CD2-CD2 4.25Å; L915-L951 HydrophobicContact CD2-CG 4.18Å; L915-L951 HydrophobicContact CG-CD2 4.24Å; V916-L951 HydrophobicContact CG2-CD2 4.35Å; V919-L951 HydrophobicContact CB-CD2 4.25Å; V919-L951 HydrophobicContact CG1-CD2 4.32Å; V919-L951 HydrophobicContact CG2-CD1 4.34Å; V919-L951 HydrophobicContact CG2-CD2 3.79Å; A941-L951 HydrophobicContact CB-CD1 3.91Å; Q947-L951 WeakPolarHBondContact O-CG 3.3Å; Q947-L951 PolarHBondContact O-N 3.18Å; A948-L951 PolarHBondContact O-N 2.82Å; L951-F954 CarbonylContact O-C 3.51Å; L951-G955 WeakPolarHBondContact O-CA 3.47Å; L951-G955 PolarHBondContact O-N 3.03Å; L951-V958 HydrophobicContact CD2-CG2 4.28Å; L951-L967 HydrophobicContact CB-CD2 4.48Å; L951-L967 HydrophobicContact CD1-CD2 4.42Å; L951-I969 HydrophobicContact CB-CD1 4.04Å
952	L	89.6	Confident	88.7	Confident	91 Å²	91	36.8 Å²	36.8	48%	0.476	20%	0.197	S	C	.	.	H	α-helix	trans	-69	-46.8	173.8	-71.6	168.5	0	0	0	111.8	A948 Q949 T950 F954 G955 I969 V981	A948-L952 VanDerWaalsContact O-CG 3.3Å; A948-L952 WeakPolarHBondContact O-CG 3.33Å; A948-L952 PolarHBondContact O-N 2.64Å; Q949-L952 PolarHBondContact O-N 2.7Å; T950-L952 VanDerWaalsContact C-N 3.3Å; T950-L952 PolarHBondContact O-N 3.27Å; L952-F954 PolarHBondContact O-N 3.42Å; L952-G955 PolarHBondContact O-N 2.91Å; L952-I969 HydrophobicContact CD1-CD1 4.34Å; L952-I969 HydrophobicContact CD2-CD1 3.61Å; L952-I969 HydrophobicContact CG-CD1 3.56Å; L952-V981 HydrophobicContact CD1-CG1 4.48Å; L952-V981 HydrophobicContact CD1-CG2 3.8Å
953	R	89.9	Confident	88.6	Confident	101 Å²	101	39.8 Å²	39.8	38%	0.381	21%	0.21	S	C	.	.	H	α-helix	trans	-55.6	-39.4	176.1	-78.1	-172.9	-70.9	162.5	-4.3	112.3	E909 D912 Q949 T950	E909-R953 IonicContact OE1-NH1 2.69Å; E909-R953 IonicContact OE2-NH1 3.75Å; D912-R953 VanDerWaalsContact CG-NH2 3.28Å; D912-R953 IonicContact OD1-NH2 2.7Å; D912-R953 IonicContact OD2-CZ 3.49Å; D912-R953 IonicContact OD2-NH1 2.98Å; D912-R953 PolarHBondContact OD2-NH1 3.28Å; D912-R953 IonicContact OD2-NH2 3.98Å; D912-R953 PolarHBondContact OD2-NH2 2.98Å; Q949-R953 WeakPolarHBondContact O-CG 3.22Å; Q949-R953 PolarHBondContact O-N 2.97Å; T950-R953 PolarHBondContact O-N 3.47Å; T950-R953 PolarHBondContact OG1-NH2 3.06Å
954	F	91.8	Very high	88.6	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	15.7	178.7	-68.8	-70.8	0	0	0	114.4	S778 M779 W782 E909 D912 F913 V916 T950 L951 L952 S956 A957 V958	S778-F954 WeakPolarHBondContact O-CE1 3.18Å; M779-F954 HydrophobicContact CG-CD1 4.01Å; M779-F954 HydrophobicContact CG-CE1 4.37Å; M779-F954 HydrophobicContact SD-CD1 3.41Å; M779-F954 WeakPolarHBondContact SD-CD1 3.34Å; M779-F954 HydrophobicContact SD-CE1 3.75Å; W782-F954 HydrophobicContact CB-CE1 4.23Å; W782-F954 HydrophobicContact CB-CZ 4.43Å; E909-F954 WeakPolarHBondContact OE2-CE2 3.27Å; E909-F954 WeakPolarHBondContact OE2-CZ 3.36Å; D912-F954 HydrophobicContact CB-CE2 4.06Å; F913-F954 HydrophobicContact CB-CZ 4.36Å; F913-F954 AromaticContact CD2-CD1 3.75Å; F913-F954 HydrophobicContact CD2-CD1 3.75Å; F913-F954 HydrophobicContact CD2-CD2 4.42Å; F913-F954 AromaticContact CD2-CE1 3.6Å; F913-F954 HydrophobicContact CD2-CE1 3.6Å; F913-F954 HydrophobicContact CD2-CE2 4.32Å; F913-F954 HydrophobicContact CD2-CG 4.14Å; F913-F954 AromaticContact CD2-CZ 3.91Å; F913-F954 HydrophobicContact CD2-CZ 3.91Å; F913-F954 AromaticContact CE2-CD1 4Å; F913-F954 HydrophobicContact CE2-CD1 4Å; F913-F954 HydrophobicContact CE2-CE1 4.17Å; V916-F954 HydrophobicContact CG1-CB 4.32Å; V916-F954 HydrophobicContact CG2-CB 3.54Å; V916-F954 HydrophobicContact CG2-CD2 3.65Å; V916-F954 HydrophobicContact CG2-CG 3.76Å; T950-F954 HydrophobicContact CG2-CD2 4.11Å; T950-F954 HydrophobicContact CG2-CE2 4.42Å; T950-F954 WeakPolarHBondContact O-CD2 3.48Å; T950-F954 PolarHBondContact O-N 3.36Å; T950-F954 VanDerWaalsContact O-N 3.14Å; L951-F954 CarbonylContact O-C 3.51Å; L952-F954 PolarHBondContact O-N 3.42Å; F954-S956 VanDerWaalsContact C-N 3.34Å; F954-S956 PolarHBondContact O-N 2.98Å; F954-A957 WeakPolarHBondContact O-CB 3.48Å; F954-A957 PolarHBondContact O-N 3.12Å; F954-V958 HydrophobicContact CB-CG2 4.36Å; F954-V958 WeakPolarHBondContact O-CG2 3.31Å; F954-V958 PolarHBondContact O-N 3.28Å
955	G	87.6	Confident	88.5	Confident	8 Å²	8	41.5 Å²	41.5	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-53.3	-45.3	-168.5	0	0	0	0	0	114.2	L951 L952 A957 V958 W959	L951-G955 WeakPolarHBondContact O-CA 3.47Å; L951-G955 PolarHBondContact O-N 3.03Å; L952-G955 PolarHBondContact O-N 2.91Å; G955-A957 VanDerWaalsContact C-N 3.34Å; G955-A957 PolarHBondContact O-N 3.05Å; G955-V958 PolarHBondContact O-N 3.19Å; G955-W959 VanDerWaalsContact O-CD2 3.25Å; G955-W959 PolarHBondContact O-N 3.19Å
956	S	85.6	Confident	88.5	Confident	55 Å²	55	40.2 Å²	40.2	39%	0.385	21%	0.214	S	C	.	.	H	α-helix	trans	-58.7	-42.8	177.4	-179.9	0	0	0	0	112.9	F954 T960	F954-S956 VanDerWaalsContact C-N 3.34Å; F954-S956 PolarHBondContact O-N 2.98Å; S956-T960 VanDerWaalsContact O-CB 3.31Å; S956-T960 WeakPolarHBondContact O-CB 3.5Å; S956-T960 PolarHBondContact O-N 2.82Å; S956-T960 PolarHBondContact O-OG1 2.91Å
957	A	88.8	Confident	88.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-68.7	-40.9	177	0	0	0	0	0	111.1	M779 F954 G955 W959 T960 L961	M779-A957 HydrophobicContact CE-CB 3.94Å; M779-A957 HydrophobicContact CG-CB 3.97Å; M779-A957 HydrophobicContact SD-CB 3.4Å; M779-A957 WeakPolarHBondContact SD-CB 3.24Å; F954-A957 WeakPolarHBondContact O-CB 3.48Å; F954-A957 PolarHBondContact O-N 3.12Å; G955-A957 VanDerWaalsContact C-N 3.34Å; G955-A957 PolarHBondContact O-N 3.05Å; A957-W959 PolarHBondContact O-N 2.77Å; A957-T960 PolarHBondContact O-N 2.69Å; A957-L961 HydrophobicContact CB-CD1 4.36Å; A957-L961 WeakPolarHBondContact O-CB 3.39Å; A957-L961 WeakPolarHBondContact O-CG 3.31Å; A957-L961 PolarHBondContact O-N 3.37Å
958	V	90.6	Very high	88.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-46.7	177.6	-177.2	0	0	0	0	110.5	V916 V919 L951 F954 G955 S962 L967	V916-V958 HydrophobicContact CG1-CG2 3.69Å; V916-V958 HydrophobicContact CG2-CG2 4.34Å; V919-V958 HydrophobicContact CG1-CG1 3.74Å; L951-V958 HydrophobicContact CD2-CG2 4.28Å; F954-V958 HydrophobicContact CB-CG2 4.36Å; F954-V958 WeakPolarHBondContact O-CG2 3.31Å; F954-V958 PolarHBondContact O-N 3.28Å; G955-V958 PolarHBondContact O-N 3.19Å; V958-S962 WeakPolarHBondContact O-CB 3.36Å; V958-S962 PolarHBondContact O-N 3Å; V958-S962 PolarHBondContact O-OG 2.91Å; V958-L967 HydrophobicContact CG1-CD2 3.89Å
959	W	88.2	Confident	88.6	Confident	112 Å²	112	39.1 Å²	39.1	42%	0.424	20%	0.199	S	C	.	.	H	α-helix	trans	-61.9	-48.5	178.3	-59.2	-28.3	0	0	0	112.1	G955 A957 Q963 I964 L967	G955-W959 VanDerWaalsContact O-CD2 3.25Å; G955-W959 PolarHBondContact O-N 3.19Å; A957-W959 PolarHBondContact O-N 2.77Å; W959-Q963 VanDerWaalsContact O-CA 3.3Å; W959-Q963 WeakPolarHBondContact O-CA 3.46Å; W959-Q963 PolarHBondContact O-N 2.82Å; W959-I964 HydrophobicContact CB-CG1 4.41Å; W959-I964 PolarHBondContact O-N 3.04Å; W959-I964 VanDerWaalsContact O-N 3.1Å; W959-L967 VanDerWaalsContact NE1-N 3.14Å
960	T	88.4	Confident	88.5	Confident	40 Å²	40	36.7 Å²	36.7	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-49.8	-175.4	-58.7	0	0	0	0	111.6	E824 P828 S956 A957 Q963	E824-T960 VanDerWaalsContact O-CG2 3.23Å; E824-T960 WeakPolarHBondContact O-CG2 3.2Å; P828-T960 HydrophobicContact CG-CG2 3.72Å; S956-T960 VanDerWaalsContact O-CB 3.31Å; S956-T960 WeakPolarHBondContact O-CB 3.5Å; S956-T960 PolarHBondContact O-N 2.82Å; S956-T960 PolarHBondContact O-OG1 2.91Å; A957-T960 PolarHBondContact O-N 2.69Å; T960-Q963 PolarHBondContact O-N 3.4Å
961	L	90.6	Very high	88.1	Confident	7 Å²	7	38.2 Å²	38.2	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-71.8	-38.2	-176.8	-62.5	172.9	0	0	0	111.2	V821 E824 V920 R924 A957 Q963	V821-L961 HydrophobicContact CG1-CD1 4Å; E824-L961 HydrophobicContact CB-CD2 3.83Å; V920-L961 HydrophobicContact CB-CB 4.43Å; V920-L961 HydrophobicContact CG1-CB 3.73Å; V920-L961 HydrophobicContact CG2-CB 3.74Å; V920-L961 HydrophobicContact CG2-CD1 4.37Å; R924-L961 PolarHBondContact NE-O 3.37Å; R924-L961 PolarHBondContact NH2-O 3.08Å; A957-L961 HydrophobicContact CB-CD1 4.36Å; A957-L961 WeakPolarHBondContact O-CB 3.39Å; A957-L961 WeakPolarHBondContact O-CG 3.31Å; A957-L961 PolarHBondContact O-N 3.37Å; L961-Q963 PolarHBondContact O-N 2.67Å
962	S	89.6	Confident	87.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73	-17.7	175.7	-52.7	0	0	0	0	112.8	V920 R927 V958	V920-S962 WeakPolarHBondContact CA-OG 3.35Å; V920-S962 WeakPolarHBondContact CG2-OG 3.44Å; R927-S962 VanDerWaalsContact CD-O 3.29Å; R927-S962 WeakPolarHBondContact CD-O 3.36Å; R927-S962 PolarHBondContact NH1-O 3.47Å; V958-S962 WeakPolarHBondContact O-CB 3.36Å; V958-S962 PolarHBondContact O-N 3Å; V958-S962 PolarHBondContact O-OG 2.91Å
963	Q	87.6	Confident	85.8	Confident	84 Å²	84	44.4 Å²	44.4	39%	0.393	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	58.3	-165.5	-38.1	-176.7	-32.8	0	0	112.2	R927 R936 W959 T960 L961	R927-Q963 PolarHBondContact NE-O 2.91Å; R927-Q963 VanDerWaalsContact NH2-OE1 3.14Å; R936-Q963 WeakPolarHBondContact CA-O 3.37Å; R936-Q963 HydrophobicContact CG-CB 4.48Å; W959-Q963 VanDerWaalsContact O-CA 3.3Å; W959-Q963 WeakPolarHBondContact O-CA 3.46Å; W959-Q963 PolarHBondContact O-N 2.82Å; T960-Q963 PolarHBondContact O-N 3.4Å; L961-Q963 PolarHBondContact O-N 2.67Å
964	I	87.5	Confident	84.3	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.026	24%	0.235	C	C	.	.			trans	-111.2	159.8	173.5	59.5	179.1	0	0	0	109.1	P937 M939 W959 L967	P937-I964 HydrophobicContact CG-CG2 4.35Å; P937-I964 WeakPolarHBondContact O-CA 3.36Å; P937-I964 WeakPolarHBondContact O-CB 3.4Å; M939-I964 HydrophobicContact CB-CD1 4.44Å; M939-I964 HydrophobicContact CE-CG2 3.91Å; M939-I964 HydrophobicContact CG-CG2 4.03Å; M939-I964 HydrophobicContact SD-CG2 3.75Å; W959-I964 HydrophobicContact CB-CG1 4.41Å; W959-I964 PolarHBondContact O-N 3.04Å; W959-I964 VanDerWaalsContact O-N 3.1Å; I964-L967 HydrophobicContact CD1-CB 3.96Å; I964-L967 HydrophobicContact CD1-CD1 4.14Å
965	S	85.2	Confident	82	Confident	67 Å²	67	51.9 Å²	51.9	47%	0.469	28%	0.278	S	S	.	.	S	Bend	trans	-82.9	-37.4	178	43.4	0	0	0	0	111.9	R936 P937 V938	R936-S965 WeakPolarHBondContact O-CB 3.49Å; R936-S965 PolarHBondContact O-N 3.35Å; R936-S965 PolarHBondContact O-OG 2.97Å; P937-S965 VanDerWaalsContact C-OG 3.26Å; P937-S965 PolarHBondContact O-N 3Å; P937-S965 PolarHBondContact O-OG 2.86Å; V938-S965 WeakPolarHBondContact CG2-OG 3.3Å; V938-S965 PolarHBondContact N-OG 3.49Å
966	S	85	Confident	80.2	Confident	29 Å²	29	54.7 Å²	54.7	20%	0.203	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	157.8	170.5	64	0	0	0	0	111.2	V938 M939 Q968	V938-S966 WeakPolarHBondContact CG1-OG 3.47Å; M939-S966 PolarHBondContact N-O 2.93Å; M939-S966 VanDerWaalsContact N-O 3.09Å; S966-Q968 PolarHBondContact OG-NE2 2.9Å
967	L	87.8	Confident	78.1	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.089	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.4	169.6	-173.6	73	0	0	0	108	M939 A941 L951 V958 W959 I964 L1001	M939-L967 HydrophobicContact CB-CD1 4Å; M939-L967 CarbonylContact O-C 3.27Å; M939-L967 WeakPolarHBondContact O-CA 3.4Å; A941-L967 HydrophobicContact CB-CD1 4.11Å; A941-L967 HydrophobicContact CB-CD2 4.25Å; A941-L967 HydrophobicContact CB-CG 4.29Å; L951-L967 HydrophobicContact CB-CD2 4.48Å; L951-L967 HydrophobicContact CD1-CD2 4.42Å; V958-L967 HydrophobicContact CG1-CD2 3.89Å; W959-L967 VanDerWaalsContact NE1-N 3.14Å; I964-L967 HydrophobicContact CD1-CB 3.96Å; I964-L967 HydrophobicContact CD1-CD1 4.14Å; L967-L1001 HydrophobicContact CD1-CD2 4.02Å
968	Q	88.8	Confident	75.9	Confident	58 Å²	58	66.3 Å²	66.3	27%	0.271	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.3	172.5	-59.6	-59.6	-45.6	0	0	108.7	V938 M939 W940 A941 S966 S983	V938-Q968 HydrophobicContact CG1-CG 4.05Å; M939-Q968 PolarHBondContact O-N 3.17Å; W940-Q968 CarbonylContact C-O 3.59Å; W940-Q968 WeakPolarHBondContact CA-O 3.21Å; W940-Q968 HydrophobicContact CB-CB 4.41Å; W940-Q968 VanDerWaalsContact CD1-CB 3.4Å; W940-Q968 HydrophobicContact CD2-CB 4.18Å; W940-Q968 HydrophobicContact CD2-CG 4.4Å; W940-Q968 HydrophobicContact CG-CB 3.77Å; W940-Q968 HydrophobicContact CG-CG 4.49Å; W940-Q968 HydrophobicContact CZ2-CG 4.37Å; A941-Q968 PolarHBondContact N-O 2.93Å; S966-Q968 PolarHBondContact OG-NE2 2.9Å; Q968-S983 PolarHBondContact OE1-OG 2.82Å
969	I	88.1	Confident	73.6	Confident	9 Å²	9	72 Å²	72	5%	0.046	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.9	-177	-61.1	178	0	0	0	109.5	A941 A948 L951 L952 V981 S983	A941-I969 WeakPolarHBondContact O-CA 3.33Å; A948-I969 HydrophobicContact CB-CG2 3.55Å; L951-I969 HydrophobicContact CB-CD1 4.04Å; L952-I969 HydrophobicContact CD1-CD1 4.34Å; L952-I969 HydrophobicContact CD2-CD1 3.61Å; L952-I969 HydrophobicContact CG-CD1 3.56Å; I969-V981 HydrophobicContact CB-CG1 4.39Å; I969-S983 WeakPolarHBondContact O-CB 3.47Å
970	Y	85.8	Confident	71.5	Confident	78 Å²	78	71.8 Å²	71.8	31%	0.306	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.4	-179.1	-179.6	-102.1	0	0	0	110.3	A941 V942 C943 P972 A985	A941-Y970 PolarHBondContact O-N 3.22Å; V942-Y970 VanDerWaalsContact CA-O 3.27Å; V942-Y970 WeakPolarHBondContact CA-O 3.29Å; V942-Y970 HydrophobicContact CG1-CD1 4.12Å; V942-Y970 HydrophobicContact CG2-CD1 4.02Å; C943-Y970 PolarHBondContact N-O 3.35Å; Y970-P972 HydrophobicContact CD1-CG 4.24Å; Y970-P972 HydrophobicContact CE1-CB 4.26Å; Y970-P972 HydrophobicContact CE1-CG 3.95Å; Y970-A985 HydrophobicContact CD2-CB 4.34Å; Y970-A985 HydrophobicContact CE2-CB 3.94Å
971	C	82.9	Confident	69.6	Low	38 Å²	38	73.5 Å²	73.5	26%	0.257	42%	0.421	S	S	.	.			trans	-114.3	112.6	178.3	-66.8	0	0	0	0	109	C943 D973	C943-C971 PolarHBondContact O-SG 3.36Å; C943-C971 VanDerWaalsContact O-SG 3.33Å; C971-D973 VanDerWaalsContact C-N 3.3Å; C971-D973 PolarHBondContact O-N 3.06Å
972	P	70.8	Confident	67.5	Low	72 Å²	72	82.2 Å²	82.2	47%	0.468	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.9	-175.1	-19.3	31.8	0	0	0	115.1	V942 Y970	V942-P972 HydrophobicContact CG1-CG 3.74Å; Y970-P972 HydrophobicContact CD1-CG 4.24Å; Y970-P972 HydrophobicContact CE1-CB 4.26Å; Y970-P972 HydrophobicContact CE1-CG 3.95Å
973	D	62.1	Low	65.9	Low	150 Å²	150	83.6 Å²	83.6	80%	0.802	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	36.5	-164.9	-65.3	-30.8	0	0	0	114.8	C971	C971-D973 VanDerWaalsContact C-N 3.3Å; C971-D973 PolarHBondContact O-N 3.06Å
974	Q	56.7	Low	65	Low	90 Å²	90	84.6 Å²	84.6	42%	0.421	48%	0.482	S	S	.	.			trans	-126	113.8	173	-81	-165.4	-3.3	0	0	114.7	P945 G976	P945-Q974 HydrophobicContact CG-CG 4.41Å; Q974-G976 PolarHBondContact O-N 3.07Å
975	D	45.3	Very low	64.4	Low	170 Å²	170	87 Å²	87	91%	0.909	50%	0.502	S	S	*	.			trans	-75.8	95.5	150.2	-75.9	-38.9	0	0	0	109.3	H977	D975-H977 PolarHBondContact O-N 2.84Å
976	G	47.9	Very low	64.3	Low	66 Å²	66	85.3 Å²	85.3	68%	0.68	49%	0.49	S	S	*	.	S	Bend	trans	79.5	0.9	136.9	0	0	0	0	0	123.5	Q974	Q974-G976 PolarHBondContact O-N 3.07Å
977	H	43	Very low	64	Low	181 Å²	181	86 Å²	86	84%	0.838	49%	0.494	S	S	*	.			trans	-136.3	43.6	-172	-72.7	-57.1	0	0	0	118.9	D975	D975-H977 PolarHBondContact O-N 2.84Å
978	L	42.5	Very low	62.9	Low	119 Å²	119	90.1 Å²	90.1	62%	0.623	53%	0.53	S	S	*	.	S	Bend	trans	-131.2	134.3	158.1	-99.2	141.4	0	0	0	110.8	S980	L978-S980 PolarHBondContact O-N 2.8Å
979	P	42.6	Very low	61.8	Low	119 Å²	119	90.2 Å²	90.2	77%	0.773	55%	0.547	S	S	*	.	S	Bend	trans	-76.6	128.8	-176	-3.9	21.2	0	0	0	111.4
980	S	44	Very low	61.3	Low	109 Å²	109	90.7 Å²	90.7	76%	0.762	55%	0.551	S	S	*	*	S	Bend	trans	84.2	29.4	154.2	92.9	0	0	0	0	122.5	L978	L978-S980 PolarHBondContact O-N 2.8Å
981	V	46.9	Very low	60.7	Low	76 Å²	76	87.2 Å²	87.2	46%	0.461	54%	0.538	S	S	.	.			trans	-127.2	70.3	164.8	-165.8	0	0	0	0	110.8	L952 I969	L952-V981 HydrophobicContact CD1-CG1 4.48Å; L952-V981 HydrophobicContact CD1-CG2 3.8Å; I969-V981 HydrophobicContact CB-CG1 4.39Å
982	H	46.7	Very low	60.6	Low	190 Å²	190	86.5 Å²	86.5	88%	0.88	53%	0.532	S	S	*	.			trans	-89.1	108.3	165.1	-67.4	-62.6	0	0	0	108.9
983	S	56.1	Low	61.1	Low	29 Å²	29	83.4 Å²	83.4	20%	0.203	51%	0.513	C	S	.	.			trans	-117.4	144.7	156.1	-70.4	0	0	0	0	109.7	Q968 I969	Q968-S983 PolarHBondContact OE1-OG 2.82Å; I969-S983 WeakPolarHBondContact O-CB 3.47Å
984	T	69	Low	62	Low	104 Å²	104	80.5 Å²	80.5	64%	0.638	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-54.1	144	174	43.6	0	0	0	0	111.4	W940	W940-T984 PolarHBondContact NE1-O 2.8Å
985	A	76.4	Confident	63.2	Low	55 Å²	55	76.9 Å²	76.9	46%	0.455	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-52.1	147.4	170.9	0	0	0	0	0	110.4	Y970	Y970-A985 HydrophobicContact CD2-CB 4.34Å; Y970-A985 HydrophobicContact CE2-CB 3.94Å
986	P	81.8	Confident	64.9	Low	32 Å²	32	71 Å²	71	21%	0.208	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-56.5	136.1	-178.7	23.2	-33.6	0	0	0	110.7	W940 V942 H1002	W940-P986 HydrophobicContact CB-CB 4.12Å; W940-P986 HydrophobicContact CG-CB 4.15Å; V942-P986 HydrophobicContact CG2-CG 3.93Å; P986-H1002 HydrophobicContact CB-CB 3.81Å
987	P	78.5	Confident	66.3	Low	44 Å²	44	76.4 Å²	76.4	29%	0.286	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-56.5	149.4	178.9	-24.7	31.4	0	0	0	113.1	W940 C990	W940-P987 HydrophobicContact CH2-CG 3.83Å; W940-P987 HydrophobicContact CZ2-CG 3.83Å; W940-P987 HydrophobicContact CZ3-CG 4.32Å; P987-C990 PolarHBondContact O-N 3.47Å; P987-C990 PolarHBondContact O-SG 3.49Å
988	A	65.9	Low	67.9	Low	103 Å²	103	70.5 Å²	70.5	85%	0.851	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	138.5	173.5	0	0	0	0	0	110.4
989	G	65.6	Low	70	Confident	61 Å²	61	64.9 Å²	64.9	63%	0.629	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	7	-179.4	0	0	0	0	0	116.2
990	C	76.2	Confident	72.2	Confident	18 Å²	18	63 Å²	63	12%	0.122	39%	0.389	C	S	.	.			trans	-65.7	145.5	173.2	-68.1	0	0	0	0	112.9	P987 H1002 L1003 H1004	P987-C990 PolarHBondContact O-N 3.47Å; P987-C990 PolarHBondContact O-SG 3.49Å; C990-H1002 HydrophobicContact CB-CB 3.78Å; C990-L1003 CarbonylContact C-O 3.58Å; C990-L1003 VanDerWaalsContact CA-O 3.28Å; C990-L1003 WeakPolarHBondContact CA-O 3.3Å; C990-L1003 WeakPolarHBondContact CB-O 3.32Å; C990-H1004 VanDerWaalsContact SG-CA 3.59Å
991	L	74.4	Confident	74.3	Confident	6 Å²	6	57.9 Å²	57.9	3%	0.031	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.8	166.1	-75	177.7	0	0	0	110.7	L926 C930 H1002 L1003 I1005 L1014	L926-L991 HydrophobicContact CD2-CB 4.39Å; C930-L991 WeakPolarHBondContact SG-CD1 3.34Å; L991-H1002 CarbonylContact O-C 3.51Å; L991-H1002 WeakPolarHBondContact O-CA 3.47Å; L991-L1003 HydrophobicContact CB-CB 4.39Å; L991-L1003 PolarHBondContact N-O 2.85Å; L991-L1003 PolarHBondContact O-N 2.75Å; L991-I1005 HydrophobicContact CD1-CD1 3.77Å; L991-I1005 HydrophobicContact CG-CD1 3.83Å; L991-L1014 HydrophobicContact CD1-CD1 4.33Å; L991-L1014 HydrophobicContact CD1-CD2 4.17Å; L991-L1014 HydrophobicContact CD2-CD2 4.26Å
992	V	81.1	Confident	76.2	Confident	23 Å²	23	55.3 Å²	55.3	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.6	-176.9	-171.4	0	0	0	0	112	Q1000 L1001 H1002 R1070	V992-Q1000 HydrophobicContact CG1-CB 3.87Å; V992-Q1000 HydrophobicContact CG1-CG 4.45Å; V992-L1001 CarbonylContact C-O 3.53Å; V992-L1001 VanDerWaalsContact CA-O 3.22Å; V992-L1001 WeakPolarHBondContact CA-O 3.44Å; V992-H1002 VanDerWaalsContact CG2-CE1 3.42Å; V992-H1002 WeakPolarHBondContact CG2-CE1 3.31Å; V992-H1002 VanDerWaalsContact CG2-ND1 3.27Å; V992-H1002 WeakPolarHBondContact CG2-ND1 3.37Å; V992-R1070 VanDerWaalsContact CB-NH2 3.27Å; V992-R1070 PolarHBondContact O-NH1 3.06Å; V992-R1070 PolarHBondContact O-NH2 3.34Å
993	G	80.4	Confident	78	Confident	7 Å²	7	46.3 Å²	46.3	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.8	171.2	0	0	0	0	0	109.3	V995 Q1000 L1001	G993-V995 PolarHBondContact O-N 3.33Å; G993-Q1000 CarbonylContact O-C 3.56Å; G993-Q1000 WeakPolarHBondContact O-CA 3.43Å; G993-L1001 PolarHBondContact N-O 2.81Å; G993-L1001 PolarHBondContact O-N 3.47Å
994	V	81.9	Confident	79	Confident	89 Å²	89	48 Å²	48	54%	0.539	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.7	175.6	-177.3	0	0	0	0	108.6	D996	V994-D996 WeakPolarHBondContact CG1-O 3.22Å
995	V	81.4	Confident	78.9	Confident	13 Å²	13	45 Å²	45	8%	0.079	28%	0.278	C	S	.	.			trans	-89.3	-51.6	175.5	-177.6	0	0	0	0	109.1	L915 N918 V919 V922 G993 C999 L1001	L915-V995 HydrophobicContact CD1-CG1 4.19Å; N918-V995 HydrophobicContact CB-CG1 3.66Å; V919-V995 HydrophobicContact CG2-CG1 3.92Å; V919-V995 HydrophobicContact CG2-CG2 4.07Å; V922-V995 HydrophobicContact CB-CG2 4.16Å; V922-V995 HydrophobicContact CG1-CG2 4.28Å; V922-V995 HydrophobicContact CG2-CG2 4.16Å; G993-V995 PolarHBondContact O-N 3.33Å; V995-C999 HydrophobicContact CB-CB 4.03Å; V995-C999 WeakPolarHBondContact CB-O 3.41Å; V995-C999 HydrophobicContact CG1-CB 4.47Å; V995-C999 PolarHBondContact N-O 3.01Å; V995-L1001 HydrophobicContact CG2-CD1 3.9Å; V995-L1001 HydrophobicContact CG2-CG 3.73Å
996	D	80.8	Confident	78.1	Confident	47 Å²	47	49.8 Å²	49.8	25%	0.251	29%	0.291	S	S	.	.	S	Bend	trans	-153.7	-169.6	170.3	60.8	43.2	0	0	0	110.2	Q947 V994 T998 C999	Q947-D996 PolarHBondContact NE2-OD1 3.47Å; Q947-D996 PolarHBondContact NE2-OD2 3.39Å; V994-D996 WeakPolarHBondContact CG1-O 3.22Å; D996-T998 PolarHBondContact O-N 2.8Å; D996-T998 WeakPolarHBondContact OD1-CA 3.4Å; D996-T998 PolarHBondContact OD1-N 3.21Å; D996-T998 PolarHBondContact OD1-OG1 2.74Å; D996-C999 PolarHBondContact N-O 3.05Å; D996-C999 PolarHBondContact OD1-N 2.94Å
997	H	76.6	Confident	76.6	Confident	180 Å²	180	54.5 Å²	54.5	83%	0.833	33%	0.325	S	S	*	.	S	Bend	trans	-63.9	-16.7	-178.6	65.2	-70.2	0	0	0	114.5
998	T	78.1	Confident	75.4	Confident	57 Å²	57	57 Å²	57	35%	0.35	35%	0.349	S	S	.	.	S	Bend	trans	-120.5	-9.6	-175.5	43.5	0	0	0	0	113.8	C943 Q947 D996	C943-T998 VanDerWaalsContact CA-O 3.3Å; C943-T998 WeakPolarHBondContact CA-O 3.3Å; Q947-T998 PolarHBondContact NE2-OG1 3.16Å; Q947-T998 PolarHBondContact OE1-O 2.87Å; Q947-T998 PolarHBondContact OE1-OG1 3.48Å; D996-T998 PolarHBondContact O-N 2.8Å; D996-T998 WeakPolarHBondContact OD1-CA 3.4Å; D996-T998 PolarHBondContact OD1-N 3.21Å; D996-T998 PolarHBondContact OD1-OG1 2.74Å
999	C	85.1	Confident	74.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.318	C	S	.	.			trans	-129.3	127.9	-177.9	-178.6	0	0	0	0	112.2	L915 V942 C943 V995 D996	L915-C999 HydrophobicContact CD1-CB 4.47Å; V942-C999 CarbonylContact O-C 3.56Å; V942-C999 WeakPolarHBondContact O-CA 3.43Å; C943-C999 HydrophobicContact CB-CB 3.97Å; V995-C999 HydrophobicContact CB-CB 4.03Å; V995-C999 WeakPolarHBondContact CB-O 3.41Å; V995-C999 HydrophobicContact CG1-CB 4.47Å; V995-C999 PolarHBondContact N-O 3.01Å; D996-C999 PolarHBondContact N-O 3.05Å; D996-C999 PolarHBondContact OD1-N 2.94Å
1000	Q	88.4	Confident	74.8	Confident	81 Å²	81	54.8 Å²	54.8	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.3	176.4	-58.5	-178.1	13.2	0	0	110.7	A941 V942 V992 G993	A941-Q1000 CarbonylContact C-O 3.53Å; A941-Q1000 WeakPolarHBondContact CA-O 3.41Å; V942-Q1000 HydrophobicContact CB-CB 4.44Å; V942-Q1000 PolarHBondContact N-O 2.93Å; V942-Q1000 PolarHBondContact O-N 3.4Å; V992-Q1000 HydrophobicContact CG1-CB 3.87Å; V992-Q1000 HydrophobicContact CG1-CG 4.45Å; G993-Q1000 CarbonylContact O-C 3.56Å; G993-Q1000 WeakPolarHBondContact O-CA 3.43Å
1001	L	89.2	Confident	74.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.9	175.4	-71.7	176.5	0	0	0	110.9	V919 V922 A923 L926 W940 A941 L967 V992 G993 V995	V919-L1001 HydrophobicContact CB-CD1 4.38Å; V919-L1001 HydrophobicContact CG1-CD1 3.95Å; V919-L1001 HydrophobicContact CG1-CD2 4.14Å; V919-L1001 VanDerWaalsContact O-CD1 3.32Å; V919-L1001 WeakPolarHBondContact O-CD1 3.27Å; V922-L1001 HydrophobicContact CB-CD1 3.92Å; V922-L1001 HydrophobicContact CG1-CB 4.36Å; V922-L1001 HydrophobicContact CG1-CD1 3.89Å; A923-L1001 HydrophobicContact CB-CD1 4.06Å; L926-L1001 HydrophobicContact CD1-CB 4.13Å; W940-L1001 CarbonylContact O-C 3.56Å; W940-L1001 VanDerWaalsContact O-CA 3.31Å; W940-L1001 WeakPolarHBondContact O-CA 3.36Å; A941-L1001 HydrophobicContact CB-CD2 3.88Å; L967-L1001 HydrophobicContact CD1-CD2 4.02Å; V992-L1001 CarbonylContact C-O 3.53Å; V992-L1001 VanDerWaalsContact CA-O 3.22Å; V992-L1001 WeakPolarHBondContact CA-O 3.44Å; G993-L1001 PolarHBondContact N-O 2.81Å; G993-L1001 PolarHBondContact O-N 3.47Å; V995-L1001 HydrophobicContact CG2-CD1 3.9Å; V995-L1001 HydrophobicContact CG2-CG 3.73Å
1002	H	86.2	Confident	73.8	Confident	23 Å²	23	61.6 Å²	61.6	11%	0.106	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.7	179.7	-60.8	-119.7	0	0	0	108.9	M939 W940 V942 P986 C990 L991 V992	M939-H1002 CarbonylContact C-O 3.49Å; M939-H1002 VanDerWaalsContact CA-O 3.29Å; M939-H1002 WeakPolarHBondContact CA-O 3.39Å; W940-H1002 HydrophobicContact CB-CB 4.17Å; W940-H1002 PolarHBondContact N-O 2.85Å; W940-H1002 PolarHBondContact O-N 2.99Å; V942-H1002 VanDerWaalsContact CG2-NE2 3.33Å; V942-H1002 WeakPolarHBondContact CG2-NE2 3.48Å; P986-H1002 HydrophobicContact CB-CB 3.81Å; C990-H1002 HydrophobicContact CB-CB 3.78Å; L991-H1002 CarbonylContact O-C 3.51Å; L991-H1002 WeakPolarHBondContact O-CA 3.47Å; V992-H1002 VanDerWaalsContact CG2-CE1 3.42Å; V992-H1002 WeakPolarHBondContact CG2-CE1 3.31Å; V992-H1002 VanDerWaalsContact CG2-ND1 3.27Å; V992-H1002 WeakPolarHBondContact CG2-ND1 3.37Å
1003	L	84.6	Confident	73	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.1	175.4	172.2	60.4	0	0	0	109.2	L926 L932 P937 M939 C990 L991	L926-L1003 HydrophobicContact CB-CD2 3.98Å; L926-L1003 HydrophobicContact CD1-CB 4.28Å; L932-L1003 HydrophobicContact CD1-CD2 4.26Å; P937-L1003 HydrophobicContact CB-CD1 3.47Å; P937-L1003 VanDerWaalsContact CB-CD1 3.47Å; P937-L1003 HydrophobicContact CG-CD1 3.53Å; M939-L1003 HydrophobicContact CE-CB 4.21Å; M939-L1003 HydrophobicContact CE-CD1 3.77Å; M939-L1003 HydrophobicContact CE-CD2 4.12Å; M939-L1003 HydrophobicContact CE-CG 4.25Å; M939-L1003 HydrophobicContact CG-CB 4.41Å; M939-L1003 HydrophobicContact CG-CD1 3.96Å; C990-L1003 CarbonylContact C-O 3.58Å; C990-L1003 VanDerWaalsContact CA-O 3.28Å; C990-L1003 WeakPolarHBondContact CA-O 3.3Å; C990-L1003 WeakPolarHBondContact CB-O 3.32Å; L991-L1003 HydrophobicContact CB-CB 4.39Å; L991-L1003 PolarHBondContact N-O 2.85Å; L991-L1003 PolarHBondContact O-N 2.75Å
1004	H	76.6	Confident	72.3	Confident	64 Å²	64	64.9 Å²	64.9	30%	0.296	35%	0.353	S	S	.	.			trans	-80.8	127.9	174.5	-176.2	-112.6	0	0	0	110.6	W940 C990	W940-H1004 HydrophobicContact CE3-CB 4.4Å; W940-H1004 HydrophobicContact CH2-CB 4.03Å; W940-H1004 HydrophobicContact CZ3-CB 3.48Å; W940-H1004 VanDerWaalsContact CZ3-CB 3.48Å; C990-H1004 VanDerWaalsContact SG-CA 3.59Å
1005	I	67.5	Low	71.8	Confident	42 Å²	42	61.8 Å²	61.8	22%	0.215	33%	0.333	C	S	.	.			trans	-95.3	109.1	179.4	-62.9	175	0	0	0	108.4	L991 S1007 V1009 L1014	L991-I1005 HydrophobicContact CD1-CD1 3.77Å; L991-I1005 HydrophobicContact CG-CD1 3.83Å; I1005-S1007 PolarHBondContact O-N 3.1Å; I1005-V1009 HydrophobicContact CG2-CB 3.65Å; I1005-V1009 HydrophobicContact CG2-CG2 3.42Å; I1005-V1009 VanDerWaalsContact CG2-CG2 3.42Å; I1005-L1014 HydrophobicContact CD1-CD2 3.97Å
1006	Q	58.8	Low	71.4	Confident	155 Å²	155	68.1 Å²	68.1	72%	0.724	36%	0.356	S	S	*	.			trans	-81	102.7	168.6	-72.5	178.3	-18.9	0	0	108.7	A1008	Q1006-A1008 PolarHBondContact O-N 3Å
1007	S	51.9	Low	70.7	Confident	131 Å²	131	69.6 Å²	69.6	92%	0.916	36%	0.361	S	S	*	.	S	Bend	trans	24.6	15.5	158.2	45.1	0	0	0	0	123.2	I1005	I1005-S1007 PolarHBondContact O-N 3.1Å
1008	A	52.3	Low	70.4	Confident	96 Å²	96	61.3 Å²	61.3	79%	0.793	32%	0.323	S	S	*	.			trans	-130.3	28.3	177.6	0	0	0	0	0	112.4	Q1006	Q1006-A1008 PolarHBondContact O-N 3Å
1009	V	56.2	Low	70.4	Confident	31 Å²	31	60.5 Å²	60.5	19%	0.188	32%	0.32	C	S	.	.	S	Bend	trans	-105.4	127.3	173.4	176.3	0	0	0	0	108.4	I1005 I1011 L1014	I1005-V1009 HydrophobicContact CG2-CB 3.65Å; I1005-V1009 HydrophobicContact CG2-CG2 3.42Å; I1005-V1009 VanDerWaalsContact CG2-CG2 3.42Å; V1009-I1011 PolarHBondContact O-N 2.74Å; V1009-L1014 HydrophobicContact CG1-CD1 4.05Å
1010	D	62.1	Low	69.9	Low	87 Å²	87	65.3 Å²	65.3	47%	0.465	34%	0.342	S	S	.	.			trans	-62	97.3	173.1	-174.7	-14.6	0	0	0	109.2	E1012 Q1013 L1014	D1010-E1012 PolarHBondContact O-N 3.39Å; D1010-E1012 WeakPolarHBondContact OD1-CB 3.42Å; D1010-E1012 PolarHBondContact OD1-N 3.4Å; D1010-Q1013 HydrophobicContact CB-CB 3.86Å; D1010-Q1013 WeakPolarHBondContact O-CB 3.32Å; D1010-Q1013 PolarHBondContact O-N 2.86Å; D1010-Q1013 PolarHBondContact OD1-N 3.08Å; D1010-L1014 PolarHBondContact O-N 3.22Å
1011	I	64.8	Low	69.2	Low	59 Å²	59	64.9 Å²	64.9	30%	0.303	34%	0.337	S	S	.	.	H	α-helix	trans	-57.4	-33.5	-177	-62.7	176.1	0	0	0	110.1	V1009 L1014 I1015 Q1078	V1009-I1011 PolarHBondContact O-N 2.74Å; I1011-L1014 PolarHBondContact O-N 2.73Å; I1011-I1015 HydrophobicContact CG2-CD1 3.89Å; I1011-I1015 HydrophobicContact CG2-CG1 4.39Å; I1011-I1015 VanDerWaalsContact O-CG1 3.32Å; I1011-I1015 WeakPolarHBondContact O-CG1 3.3Å; I1011-I1015 PolarHBondContact O-N 2.79Å; I1011-Q1078 HydrophobicContact CG2-CB 4.42Å
1012	E	65.1	Low	68.7	Low	107 Å²	107	67.6 Å²	67.6	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-41.4	176	-66.6	-167.5	163.6	0	0	111.9	D1010 L1014 I1015 R1016	D1010-E1012 PolarHBondContact O-N 3.39Å; D1010-E1012 WeakPolarHBondContact OD1-CB 3.42Å; D1010-E1012 PolarHBondContact OD1-N 3.4Å; E1012-L1014 VanDerWaalsContact C-N 3.29Å; E1012-L1014 PolarHBondContact O-N 3.39Å; E1012-I1015 PolarHBondContact O-N 3Å; E1012-R1016 VanDerWaalsContact O-CB 3.26Å; E1012-R1016 WeakPolarHBondContact O-CB 3.41Å; E1012-R1016 PolarHBondContact O-N 3.16Å
1013	Q	64.6	Low	68.5	Low	92 Å²	92	71.3 Å²	71.3	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-64.4	-36.5	176.3	-165.9	176.8	2.9	0	0	111.5	D1010 R1016 H1017	D1010-Q1013 HydrophobicContact CB-CB 3.86Å; D1010-Q1013 WeakPolarHBondContact O-CB 3.32Å; D1010-Q1013 PolarHBondContact O-N 2.86Å; D1010-Q1013 PolarHBondContact OD1-N 3.08Å; Q1013-R1016 PolarHBondContact O-N 3.4Å; Q1013-H1017 PolarHBondContact O-CD2 2.62Å; Q1013-H1017 PolarHBondContact O-N 3.33Å
1014	L	65.3	Low	68.1	Low	8 Å²	8	74.7 Å²	74.7	4%	0.042	39%	0.39	C	S	.	.	H	α-helix	trans	-69.3	-45.1	177.6	-153.1	82.8	0	0	0	112	C930 L991 I1005 V1009 D1010 I1011 E1012 R1016 H1017 L1018 L1074	C930-L1014 HydrophobicContact CB-CD1 4.49Å; L991-L1014 HydrophobicContact CD1-CD1 4.33Å; L991-L1014 HydrophobicContact CD1-CD2 4.17Å; L991-L1014 HydrophobicContact CD2-CD2 4.26Å; I1005-L1014 HydrophobicContact CD1-CD2 3.97Å; V1009-L1014 HydrophobicContact CG1-CD1 4.05Å; D1010-L1014 PolarHBondContact O-N 3.22Å; I1011-L1014 PolarHBondContact O-N 2.73Å; E1012-L1014 VanDerWaalsContact C-N 3.29Å; E1012-L1014 PolarHBondContact O-N 3.39Å; L1014-R1016 VanDerWaalsContact C-N 3.32Å; L1014-R1016 PolarHBondContact O-N 2.85Å; L1014-H1017 PolarHBondContact O-N 2.86Å; L1014-L1018 WeakPolarHBondContact O-CG 3.38Å; L1014-L1018 PolarHBondContact O-N 2.71Å; L1014-L1074 HydrophobicContact CD2-CD1 3.82Å; L1014-L1074 HydrophobicContact CD2-CD2 4.13Å
1015	I	72.6	Confident	68.2	Low	23 Å²	23	71.7 Å²	71.7	12%	0.118	38%	0.376	C	S	.	.	H	α-helix	trans	-59.6	-45.1	173	-70.4	168.8	0	0	0	109.7	I1011 E1012 H1017 L1018 S1019 L1074 Q1075	I1011-I1015 HydrophobicContact CG2-CD1 3.89Å; I1011-I1015 HydrophobicContact CG2-CG1 4.39Å; I1011-I1015 VanDerWaalsContact O-CG1 3.32Å; I1011-I1015 WeakPolarHBondContact O-CG1 3.3Å; I1011-I1015 PolarHBondContact O-N 2.79Å; E1012-I1015 PolarHBondContact O-N 3Å; I1015-H1017 VanDerWaalsContact C-N 3.34Å; I1015-H1017 PolarHBondContact O-N 2.77Å; I1015-L1018 PolarHBondContact O-N 2.95Å; I1015-S1019 WeakPolarHBondContact O-CB 3.34Å; I1015-S1019 PolarHBondContact O-N 2.69Å; I1015-S1019 PolarHBondContact O-OG 2.97Å; I1015-S1019 VanDerWaalsContact O-OG 3.05Å; I1015-L1074 HydrophobicContact CD1-CB 4.32Å; I1015-L1074 HydrophobicContact CG1-CB 4.1Å; I1015-Q1075 HydrophobicContact CD1-CG 3.96Å
1016	R	73.1	Confident	68.9	Low	146 Å²	146	72.5 Å²	72.5	55%	0.551	38%	0.381	S	S	*	.	H	α-helix	trans	-59.9	-42	178.3	-164.6	-177.8	-62.5	151.4	4.2	112.1	E1012 Q1013 L1014 Q1020	E1012-R1016 VanDerWaalsContact O-CB 3.26Å; E1012-R1016 WeakPolarHBondContact O-CB 3.41Å; E1012-R1016 PolarHBondContact O-N 3.16Å; Q1013-R1016 PolarHBondContact O-N 3.4Å; L1014-R1016 VanDerWaalsContact C-N 3.32Å; L1014-R1016 PolarHBondContact O-N 2.85Å; R1016-Q1020 VanDerWaalsContact O-CG 3.29Å; R1016-Q1020 WeakPolarHBondContact O-CG 3.49Å; R1016-Q1020 PolarHBondContact O-N 3.41Å
1017	H	66.7	Low	70.2	Confident	78 Å²	78	68.4 Å²	68.4	36%	0.361	37%	0.368	S	S	.	.	H	α-helix	trans	-69.6	-40.4	176.5	-87.8	-56.8	0	0	0	113.5	Q1013 L1014 I1015 Q1020 R1021	Q1013-H1017 PolarHBondContact O-CD2 2.62Å; Q1013-H1017 PolarHBondContact O-N 3.33Å; L1014-H1017 PolarHBondContact O-N 2.86Å; I1015-H1017 VanDerWaalsContact C-N 3.34Å; I1015-H1017 PolarHBondContact O-N 2.77Å; H1017-Q1020 PolarHBondContact ND1-OE1 2.68Å; H1017-Q1020 PolarHBondContact O-N 3.34Å; H1017-R1021 WeakPolarHBondContact O-CB 3.06Å; H1017-R1021 PolarHBondContact O-N 2.91Å
1018	L	69.4	Low	71.6	Confident	7 Å²	7	67 Å²	67	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-40.3	175.5	-72.4	173	0	0	0	111.2	L1014 I1015 R1021 K1022 I1067 I1071 L1074	L1014-L1018 WeakPolarHBondContact O-CG 3.38Å; L1014-L1018 PolarHBondContact O-N 2.71Å; I1015-L1018 PolarHBondContact O-N 2.95Å; L1018-R1021 PolarHBondContact O-N 2.89Å; L1018-K1022 WeakPolarHBondContact O-CB 3.3Å; L1018-K1022 PolarHBondContact O-N 2.92Å; L1018-I1067 HydrophobicContact CB-CG2 4.26Å; L1018-I1067 HydrophobicContact CD2-CG2 4.43Å; L1018-I1071 HydrophobicContact CB-CD1 4.03Å; L1018-I1071 HydrophobicContact CB-CG1 3.8Å; L1018-I1071 HydrophobicContact CD1-CG1 4.33Å; L1018-L1074 HydrophobicContact CD1-CD1 3.5Å; L1018-L1074 VanDerWaalsContact CD1-CD1 3.5Å
1019	S	77.3	Confident	73	Confident	40 Å²	40	63.4 Å²	63.4	28%	0.28	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-46.9	172.5	-63.8	0	0	0	0	111.9	I1015 R1021 K1022 D1023	I1015-S1019 WeakPolarHBondContact O-CB 3.34Å; I1015-S1019 PolarHBondContact O-N 2.69Å; I1015-S1019 PolarHBondContact O-OG 2.97Å; I1015-S1019 VanDerWaalsContact O-OG 3.05Å; S1019-R1021 VanDerWaalsContact C-N 3.27Å; S1019-R1021 PolarHBondContact O-N 3.38Å; S1019-K1022 WeakPolarHBondContact O-CB 3.37Å; S1019-K1022 PolarHBondContact O-N 3.06Å; S1019-K1022 VanDerWaalsContact O-N 3.13Å; S1019-D1023 PolarHBondContact O-N 3.19Å
1020	Q	74.9	Confident	74.4	Confident	100 Å²	100	67.4 Å²	67.4	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-38.2	174.1	-76.6	174.5	-2.9	0	0	112.7	R1016 H1017 D1023 T1024	R1016-Q1020 VanDerWaalsContact O-CG 3.29Å; R1016-Q1020 WeakPolarHBondContact O-CG 3.49Å; R1016-Q1020 PolarHBondContact O-N 3.41Å; H1017-Q1020 PolarHBondContact ND1-OE1 2.68Å; H1017-Q1020 PolarHBondContact O-N 3.34Å; Q1020-D1023 PolarHBondContact O-N 2.67Å; Q1020-T1024 PolarHBondContact O-N 2.99Å; Q1020-T1024 PolarHBondContact O-OG1 2.87Å
1021	R	73.5	Confident	75.5	Confident	73 Å²	73	70.1 Å²	70.1	28%	0.275	34%	0.336	S	S	.	.	H	α-helix	trans	-68.6	-42.1	176.5	179.8	60.2	176.9	-168.5	-0.5	111.2	H1017 L1018 S1019 D1023 T1024 L1025 E1063 I1067	H1017-R1021 WeakPolarHBondContact O-CB 3.06Å; H1017-R1021 PolarHBondContact O-N 2.91Å; L1018-R1021 PolarHBondContact O-N 2.89Å; S1019-R1021 VanDerWaalsContact C-N 3.27Å; S1019-R1021 PolarHBondContact O-N 3.38Å; R1021-D1023 VanDerWaalsContact C-N 3.34Å; R1021-T1024 PolarHBondContact O-N 3.23Å; R1021-T1024 VanDerWaalsContact O-N 3.16Å; R1021-L1025 HydrophobicContact CG-CD1 4.06Å; R1021-L1025 HydrophobicContact CG-CG 4.42Å; R1021-L1025 WeakPolarHBondContact O-CG 3.21Å; R1021-L1025 PolarHBondContact O-N 3.39Å; R1021-E1063 IonicContact CZ-OE1 2.77Å; R1021-E1063 IonicContact NE-OE1 2.85Å; R1021-E1063 PolarHBondContact NE-OE1 2.95Å; R1021-E1063 IonicContact NH2-OE1 2.62Å; R1021-E1063 PolarHBondContact NH2-OE1 3.3Å; R1021-I1067 HydrophobicContact CG-CD1 3.87Å
1022	K	79.1	Confident	76.3	Confident	56 Å²	56	68.4 Å²	68.4	24%	0.243	33%	0.33	C	S	.	.	H	α-helix	trans	-54.8	-50.2	171.7	-179.7	-177.2	178.7	169.3	0	110.5	L1018 S1019 T1024 L1025 L1026 L1064 I1067 E1068	L1018-K1022 WeakPolarHBondContact O-CB 3.3Å; L1018-K1022 PolarHBondContact O-N 2.92Å; S1019-K1022 WeakPolarHBondContact O-CB 3.37Å; S1019-K1022 PolarHBondContact O-N 3.06Å; S1019-K1022 VanDerWaalsContact O-N 3.13Å; K1022-T1024 PolarHBondContact O-N 3.13Å; K1022-L1025 PolarHBondContact O-N 2.95Å; K1022-L1026 HydrophobicContact CG-CD1 4.07Å; K1022-L1026 PolarHBondContact O-N 3.16Å; K1022-L1064 HydrophobicContact CG-CD2 3.83Å; K1022-I1067 HydrophobicContact CB-CG2 4.22Å; K1022-E1068 HydrophobicContact CD-CG 4.22Å; K1022-E1068 WeakPolarHBondContact CE-OE1 3.31Å; K1022-E1068 IonicContact NZ-OE1 2.69Å; K1022-E1068 PolarHBondContact NZ-OE1 2.99Å
1023	D	81.5	Confident	77	Confident	101 Å²	101	65.9 Å²	65.9	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-27	178.8	-61.9	-21.5	0	0	0	112.7	S1019 Q1020 R1021 P1027	S1019-D1023 PolarHBondContact O-N 3.19Å; Q1020-D1023 PolarHBondContact O-N 2.67Å; R1021-D1023 VanDerWaalsContact C-N 3.34Å; D1023-P1027 WeakPolarHBondContact O-CD 3.3Å; D1023-P1027 WeakPolarHBondContact O-CG 3.31Å
1024	T	77.9	Confident	77.8	Confident	72 Å²	72	65.1 Å²	65.1	44%	0.442	32%	0.324	S	S	.	.	H	α-helix	trans	-82.3	-29	175.2	-48.9	0	0	0	0	112.9	Q1020 R1021 K1022	Q1020-T1024 PolarHBondContact O-N 2.99Å; Q1020-T1024 PolarHBondContact O-OG1 2.87Å; R1021-T1024 PolarHBondContact O-N 3.23Å; R1021-T1024 VanDerWaalsContact O-N 3.16Å; K1022-T1024 PolarHBondContact O-N 3.13Å
1025	L	76.8	Confident	78.4	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-84.5	-34.9	-178.1	-73.9	176.2	0	0	0	112.4	R1021 K1022 K1028 L1029 L1060 E1063 L1064 I1067	R1021-L1025 HydrophobicContact CG-CD1 4.06Å; R1021-L1025 HydrophobicContact CG-CG 4.42Å; R1021-L1025 WeakPolarHBondContact O-CG 3.21Å; R1021-L1025 PolarHBondContact O-N 3.39Å; K1022-L1025 PolarHBondContact O-N 2.95Å; L1025-K1028 WeakPolarHBondContact O-CB 3.23Å; L1025-K1028 PolarHBondContact O-N 3.06Å; L1025-L1029 PolarHBondContact O-N 3.23Å; L1025-L1060 HydrophobicContact CD2-CD2 3.97Å; L1025-E1063 HydrophobicContact CD1-CG 3.97Å; L1025-L1064 HydrophobicContact CB-CD1 4.16Å; L1025-L1064 HydrophobicContact CB-CG 4.26Å; L1025-I1067 HydrophobicContact CD1-CD1 3.63Å
1026	L	83.1	Confident	78.6	Confident	59 Å²	59	71 Å²	71	31%	0.309	35%	0.349	S	S	.	.	H	α-helix	trans	-51.7	-53.2	177.5	-84.6	165.8	0	0	0	112.6	K1022 K1028 L1029 E1030 L1064	K1022-L1026 HydrophobicContact CG-CD1 4.07Å; K1022-L1026 PolarHBondContact O-N 3.16Å; L1026-K1028 VanDerWaalsContact C-N 3.26Å; L1026-K1028 PolarHBondContact O-N 2.95Å; L1026-L1029 PolarHBondContact O-N 3.01Å; L1026-E1030 WeakPolarHBondContact O-CG 3.42Å; L1026-E1030 PolarHBondContact O-N 2.75Å; L1026-L1064 HydrophobicContact CD2-CD1 4.45Å; L1026-L1064 HydrophobicContact CD2-CD2 4.21Å; L1026-L1064 HydrophobicContact CG-CD2 4.09Å
1027	P	86.4	Confident	78.6	Confident	69 Å²	69	70.4 Å²	70.4	45%	0.448	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-29.2	178.1	-21.2	31.2	0	0	0	113.5	D1023 K1031	D1023-P1027 WeakPolarHBondContact O-CD 3.3Å; D1023-P1027 WeakPolarHBondContact O-CG 3.31Å; P1027-K1031 VanDerWaalsContact O-CB 3.22Å; P1027-K1031 WeakPolarHBondContact O-CB 3.31Å; P1027-K1031 PolarHBondContact O-N 2.73Å
1028	K	80.1	Confident	78.7	Confident	102 Å²	102	71.4 Å²	71.4	44%	0.443	37%	0.368	S	S	.	.	H	α-helix	trans	-74.3	-38	177.9	-70	179.2	-177.4	174.5	0	111.7	L1025 L1026 S1032	L1025-K1028 WeakPolarHBondContact O-CB 3.23Å; L1025-K1028 PolarHBondContact O-N 3.06Å; L1026-K1028 VanDerWaalsContact C-N 3.26Å; L1026-K1028 PolarHBondContact O-N 2.95Å; K1028-S1032 WeakPolarHBondContact O-CB 3.23Å; K1028-S1032 PolarHBondContact O-N 2.81Å; K1028-S1032 PolarHBondContact O-OG 2.68Å
1029	L	83.8	Confident	78.3	Confident	20 Å²	20	71.7 Å²	71.7	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-66.1	-49.3	174.1	177.3	61.1	0	0	0	109.8	L1025 L1026 K1031 S1032 L1033 V1057 L1060 Q1061 L1064	L1025-L1029 PolarHBondContact O-N 3.23Å; L1026-L1029 PolarHBondContact O-N 3.01Å; L1029-K1031 VanDerWaalsContact C-N 3.34Å; L1029-K1031 PolarHBondContact O-N 3.34Å; L1029-S1032 CarbonylContact O-C 3.42Å; L1029-S1032 PolarHBondContact O-N 2.69Å; L1029-L1033 HydrophobicContact CD1-CD1 4.05Å; L1029-L1033 HydrophobicContact CD1-CG 4.13Å; L1029-L1033 HydrophobicContact CG-CD1 3.86Å; L1029-L1033 HydrophobicContact CG-CG 4.39Å; L1029-L1033 WeakPolarHBondContact O-CB 3.46Å; L1029-L1033 WeakPolarHBondContact O-CG 3.43Å; L1029-L1033 PolarHBondContact O-N 2.82Å; L1029-V1057 HydrophobicContact CD1-CG1 4.08Å; L1029-L1060 HydrophobicContact CD1-CB 3.95Å; L1029-Q1061 HydrophobicContact CD1-CG 3.8Å; L1029-Q1061 HydrophobicContact CD2-CG 3.88Å; L1029-L1064 HydrophobicContact CB-CD1 4.18Å; L1029-L1064 HydrophobicContact CD2-CD1 3.59Å
1030	E	85.1	Confident	77.3	Confident	115 Å²	115	75.1 Å²	75.1	54%	0.537	39%	0.387	S	S	.	.	H	α-helix	trans	-55	-48.1	175.2	-73.1	171.4	179.6	0	0	111.8	L1026 S1032 L1033 C1034	L1026-E1030 WeakPolarHBondContact O-CG 3.42Å; L1026-E1030 PolarHBondContact O-N 2.75Å; E1030-S1032 VanDerWaalsContact C-N 3.27Å; E1030-S1032 PolarHBondContact O-N 2.71Å; E1030-L1033 PolarHBondContact O-N 2.86Å; E1030-C1034 WeakPolarHBondContact O-CB 3.42Å; E1030-C1034 PolarHBondContact O-N 3.33Å; E1030-C1034 PolarHBondContact O-SG 2.96Å
1031	K	84.4	Confident	76.5	Confident	143 Å²	143	75.3 Å²	75.3	62%	0.622	39%	0.391	S	S	*	.	H	α-helix	trans	-62.2	-34.5	176.7	-171.5	172.9	-173.2	170.4	0	112.8	P1027 L1029 K1035	P1027-K1031 VanDerWaalsContact O-CB 3.22Å; P1027-K1031 WeakPolarHBondContact O-CB 3.31Å; P1027-K1031 PolarHBondContact O-N 2.73Å; L1029-K1031 VanDerWaalsContact C-N 3.34Å; L1029-K1031 PolarHBondContact O-N 3.34Å; K1031-K1035 WeakPolarHBondContact O-CG 3.27Å; K1031-K1035 PolarHBondContact O-N 3.22Å
1032	S	81	Confident	75.5	Confident	24 Å²	24	76.6 Å²	76.6	17%	0.168	41%	0.408	C	S	.	.	H	α-helix	trans	-76.1	-37.5	178.7	-56.9	0	0	0	0	111.5	K1028 L1029 E1030 K1035 L1036	K1028-S1032 WeakPolarHBondContact O-CB 3.23Å; K1028-S1032 PolarHBondContact O-N 2.81Å; K1028-S1032 PolarHBondContact O-OG 2.68Å; L1029-S1032 CarbonylContact O-C 3.42Å; L1029-S1032 PolarHBondContact O-N 2.69Å; E1030-S1032 VanDerWaalsContact C-N 3.27Å; E1030-S1032 PolarHBondContact O-N 2.71Å; S1032-K1035 PolarHBondContact O-N 3.42Å; S1032-L1036 PolarHBondContact O-N 2.98Å
1033	L	81.1	Confident	74.2	Confident	53 Å²	53	79.9 Å²	79.9	28%	0.277	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-45	172.7	-74.7	168.3	0	0	0	111.7	L1029 E1030 K1035 L1036 Q1037 V1057	L1029-L1033 HydrophobicContact CD1-CD1 4.05Å; L1029-L1033 HydrophobicContact CD1-CG 4.13Å; L1029-L1033 HydrophobicContact CG-CD1 3.86Å; L1029-L1033 HydrophobicContact CG-CG 4.39Å; L1029-L1033 WeakPolarHBondContact O-CB 3.46Å; L1029-L1033 WeakPolarHBondContact O-CG 3.43Å; L1029-L1033 PolarHBondContact O-N 2.82Å; E1030-L1033 PolarHBondContact O-N 2.86Å; L1033-K1035 VanDerWaalsContact C-N 3.29Å; L1033-K1035 PolarHBondContact O-N 3.46Å; L1033-L1036 WeakPolarHBondContact O-CB 3.3Å; L1033-L1036 PolarHBondContact O-N 3.39Å; L1033-L1036 VanDerWaalsContact O-N 3.13Å; L1033-Q1037 WeakPolarHBondContact O-CB 2.97Å; L1033-Q1037 WeakPolarHBondContact O-CG 3.41Å; L1033-Q1037 PolarHBondContact O-N 2.98Å; L1033-V1057 HydrophobicContact CD2-CG1 3.65Å; L1033-V1057 HydrophobicContact CD2-CG2 4.39Å; L1033-V1057 HydrophobicContact CG-CG1 4.33Å
1034	C	80.9	Confident	73	Confident	77 Å²	77	83.6 Å²	83.6	52%	0.52	45%	0.445	S	S	.	.	H	α-helix	trans	-61.3	-36.8	174.3	-75.5	0	0	0	0	112.3	E1030 S1038	E1030-C1034 WeakPolarHBondContact O-CB 3.42Å; E1030-C1034 PolarHBondContact O-N 3.33Å; E1030-C1034 PolarHBondContact O-SG 2.96Å; C1034-S1038 WeakPolarHBondContact O-CB 3.33Å; C1034-S1038 PolarHBondContact O-N 3.39Å; C1034-S1038 PolarHBondContact O-OG 3.27Å
1035	K	77.5	Confident	71.9	Confident	121 Å²	121	81.7 Å²	81.7	53%	0.526	43%	0.433	S	S	.	.	H	α-helix	trans	-66.9	-39.7	173.4	-80.2	-176.4	175.8	-164.7	0	112.3	K1031 S1032 L1033 S1038 S1039	K1031-K1035 WeakPolarHBondContact O-CG 3.27Å; K1031-K1035 PolarHBondContact O-N 3.22Å; S1032-K1035 PolarHBondContact O-N 3.42Å; L1033-K1035 VanDerWaalsContact C-N 3.29Å; L1033-K1035 PolarHBondContact O-N 3.46Å; K1035-S1038 WeakPolarHBondContact CA-OG 3.36Å; K1035-S1038 PolarHBondContact O-OG 3.09Å; K1035-S1039 WeakPolarHBondContact O-CB 3.22Å; K1035-S1039 PolarHBondContact O-N 2.88Å; K1035-S1039 VanDerWaalsContact O-N 3.15Å; K1035-S1039 PolarHBondContact O-OG 3.44Å
1036	L	77.1	Confident	71.6	Confident	33 Å²	33	84.5 Å²	84.5	17%	0.173	45%	0.451	C	S	.	.	H	α-helix	trans	-64.7	-45.3	175.6	-159.5	84	0	0	0	111.1	S1032 L1033 S1039 N1040 M1053 E1054	S1032-L1036 PolarHBondContact O-N 2.98Å; L1033-L1036 WeakPolarHBondContact O-CB 3.3Å; L1033-L1036 PolarHBondContact O-N 3.39Å; L1033-L1036 VanDerWaalsContact O-N 3.13Å; L1036-S1039 WeakPolarHBondContact CA-OG 3.48Å; L1036-S1039 PolarHBondContact O-N 3.47Å; L1036-S1039 PolarHBondContact O-OG 3.31Å; L1036-N1040 PolarHBondContact O-N 3.44Å; L1036-M1053 HydrophobicContact CD1-CB 3.63Å; L1036-E1054 HydrophobicContact CD1-CG 3.89Å; L1036-E1054 HydrophobicContact CD2-CG 4.4Å
1037	Q	72.9	Confident	70.8	Confident	133 Å²	133	85.6 Å²	85.6	62%	0.621	47%	0.469	S	S	*	.	H	α-helix	trans	-65.5	-40	178.5	-72.9	174.4	-17	0	0	112.8	L1033 S1039	L1033-Q1037 WeakPolarHBondContact O-CB 2.97Å; L1033-Q1037 WeakPolarHBondContact O-CG 3.41Å; L1033-Q1037 PolarHBondContact O-N 2.98Å; Q1037-S1039 VanDerWaalsContact C-N 3.27Å; Q1037-S1039 PolarHBondContact O-N 3.35Å
1038	S	69.1	Low	69.8	Low	99 Å²	99	85.6 Å²	85.6	69%	0.692	47%	0.465	S	S	*	.	H	α-helix	trans	-73.5	-14.9	175.9	53.3	0	0	0	0	114	C1034 K1035	C1034-S1038 WeakPolarHBondContact O-CB 3.33Å; C1034-S1038 PolarHBondContact O-N 3.39Å; C1034-S1038 PolarHBondContact O-OG 3.27Å; K1035-S1038 WeakPolarHBondContact CA-OG 3.36Å; K1035-S1038 PolarHBondContact O-OG 3.09Å
1039	S	60.3	Low	69.3	Low	14 Å²	14	83.5 Å²	83.5	10%	0.098	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	15.4	177.7	55.5	0	0	0	0	113.9	K1035 L1036 Q1037 N1041 R1050	K1035-S1039 WeakPolarHBondContact O-CB 3.22Å; K1035-S1039 PolarHBondContact O-N 2.88Å; K1035-S1039 VanDerWaalsContact O-N 3.15Å; K1035-S1039 PolarHBondContact O-OG 3.44Å; L1036-S1039 WeakPolarHBondContact CA-OG 3.48Å; L1036-S1039 PolarHBondContact O-N 3.47Å; L1036-S1039 PolarHBondContact O-OG 3.31Å; Q1037-S1039 VanDerWaalsContact C-N 3.27Å; Q1037-S1039 PolarHBondContact O-N 3.35Å; S1039-N1041 PolarHBondContact O-N 3.44Å; S1039-N1041 VanDerWaalsContact O-N 3.08Å; S1039-R1050 PolarHBondContact O-NH2 3.48Å
1040	N	57.3	Low	68.6	Low	112 Å²	112	85.5 Å²	85.5	60%	0.599	46%	0.464	S	S	*	.			trans	-68.7	0.4	175.5	-96.3	-6.7	0	0	0	114.8	L1036 P1042	L1036-N1040 PolarHBondContact O-N 3.44Å; N1040-P1042 VanDerWaalsContact O-CD 3.3Å; N1040-P1042 WeakPolarHBondContact O-CD 3.2Å
1041	N	57.9	Low	67.9	Low	104 Å²	104	85.8 Å²	85.8	56%	0.556	47%	0.466	S	S	*	.			trans	-83.3	111.1	175	-120.5	-34.1	0	0	0	110.7	S1039 T1043 K1044	S1039-N1041 PolarHBondContact O-N 3.44Å; S1039-N1041 VanDerWaalsContact O-N 3.08Å; N1041-T1043 PolarHBondContact O-N 3.29Å; N1041-T1043 VanDerWaalsContact O-N 3.11Å; N1041-K1044 PolarHBondContact O-N 3.27Å
1042	P	51.5	Low	67	Low	99 Å²	99	86.5 Å²	86.5	64%	0.643	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.5	-170.6	25.3	-32.2	0	0	0	114.8	N1040	N1040-P1042 VanDerWaalsContact O-CD 3.3Å; N1040-P1042 WeakPolarHBondContact O-CD 3.2Å
1043	T	52	Low	66.6	Low	126 Å²	126	88.4 Å²	88.4	77%	0.773	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.4	179.7	45.2	0	0	0	0	114.7	N1041	N1041-T1043 PolarHBondContact O-N 3.29Å; N1041-T1043 VanDerWaalsContact O-N 3.11Å
1044	K	56.9	Low	66.3	Low	178 Å²	178	90.4 Å²	90.4	77%	0.774	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-6.2	-171.8	-83.8	-175.3	176.3	177.9	0	115.9	N1041	N1041-K1044 PolarHBondContact O-N 3.27Å
1045	T	54.8	Low	65.8	Low	33 Å²	33	91.2 Å²	91.2	20%	0.202	48%	0.479	C	S	.	.	S	Bend	trans	-137.6	113.9	-176.4	-52.2	0	0	0	0	110.2	I1049	T1045-I1049 HydrophobicContact CG2-CB 4.03Å; T1045-I1049 HydrophobicContact CG2-CG2 3.74Å
1046	P	71.1	Confident	65.6	Low	60 Å²	60	91.7 Å²	91.7	39%	0.39	48%	0.481	S	S	.	.			trans	-50.9	148.5	175	-28.4	34.2	0	0	0	113.5	D1048 I1049 R1050	P1046-D1048 VanDerWaalsContact C-N 3.3Å; P1046-D1048 WeakPolarHBondContact CB-OD1 3.29Å; P1046-D1048 PolarHBondContact O-N 3.25Å; P1046-I1049 HydrophobicContact CB-CD1 4.44Å; P1046-I1049 HydrophobicContact CB-CG1 4.3Å; P1046-I1049 HydrophobicContact CG-CD1 4.13Å; P1046-I1049 PolarHBondContact O-N 3.06Å; P1046-R1050 PolarHBondContact O-N 3.27Å; P1046-R1050 VanDerWaalsContact O-N 3.12Å
1047	A	66.3	Low	65.6	Low	83 Å²	83	90.7 Å²	90.7	69%	0.686	48%	0.476	S	S	*	.	H	α-helix	trans	-62.4	-34.3	-176.4	0	0	0	0	0	113.1	R1050 Q1051	A1047-R1050 PolarHBondContact O-N 2.69Å; A1047-Q1051 WeakPolarHBondContact O-CB 3.36Å; A1047-Q1051 PolarHBondContact O-N 2.92Å
1048	D	64.6	Low	65.5	Low	69 Å²	69	87.1 Å²	87.1	37%	0.369	47%	0.466	S	S	.	.	H	α-helix	trans	-67	-38.5	177.6	84.4	-51	0	0	0	111.7	P1046 Q1051 R1052	P1046-D1048 VanDerWaalsContact C-N 3.3Å; P1046-D1048 WeakPolarHBondContact CB-OD1 3.29Å; P1046-D1048 PolarHBondContact O-N 3.25Å; D1048-Q1051 PolarHBondContact O-N 3.13Å; D1048-R1052 WeakPolarHBondContact O-CB 3.44Å; D1048-R1052 VanDerWaalsContact O-CG 3.28Å; D1048-R1052 WeakPolarHBondContact O-CG 3.4Å; D1048-R1052 PolarHBondContact O-N 3.27Å; D1048-R1052 IonicContact OD2-CZ 3.35Å; D1048-R1052 IonicContact OD2-NH1 3.64Å
1049	I	68.8	Low	65.5	Low	57 Å²	57	86.6 Å²	86.6	29%	0.292	46%	0.458	S	S	.	.	H	α-helix	trans	-66.6	-43	176.6	-64.1	-173.7	0	0	0	109.7	T1045 P1046 R1052 M1053	T1045-I1049 HydrophobicContact CG2-CB 4.03Å; T1045-I1049 HydrophobicContact CG2-CG2 3.74Å; P1046-I1049 HydrophobicContact CB-CD1 4.44Å; P1046-I1049 HydrophobicContact CB-CG1 4.3Å; P1046-I1049 HydrophobicContact CG-CD1 4.13Å; P1046-I1049 PolarHBondContact O-N 3.06Å; I1049-R1052 PolarHBondContact O-N 2.95Å; I1049-M1053 HydrophobicContact CG2-CE 3.52Å; I1049-M1053 HydrophobicContact CG2-SD 4.24Å; I1049-M1053 WeakPolarHBondContact O-CB 3.21Å; I1049-M1053 VanDerWaalsContact O-CG 3.26Å; I1049-M1053 WeakPolarHBondContact O-CG 3.06Å; I1049-M1053 PolarHBondContact O-N 3.41Å
1050	R	69.6	Low	66	Low	62 Å²	62	86.9 Å²	86.9	23%	0.234	46%	0.459	C	S	.	.	H	α-helix	trans	-62.6	-47	176.3	-173	176	-77	169.4	-5.5	111.1	S1039 P1046 A1047 R1052 M1053 E1054	S1039-R1050 PolarHBondContact O-NH2 3.48Å; P1046-R1050 PolarHBondContact O-N 3.27Å; P1046-R1050 VanDerWaalsContact O-N 3.12Å; A1047-R1050 PolarHBondContact O-N 2.69Å; R1050-R1052 VanDerWaalsContact C-N 3.35Å; R1050-R1052 PolarHBondContact O-N 2.87Å; R1050-M1053 WeakPolarHBondContact O-CB 3.29Å; R1050-M1053 PolarHBondContact O-N 2.86Å; R1050-M1053 VanDerWaalsContact O-N 3.09Å; R1050-E1054 WeakPolarHBondContact O-CG 3.41Å; R1050-E1054 PolarHBondContact O-N 3.28Å
1051	Q	70.1	Confident	66.9	Low	122 Å²	122	86.1 Å²	86.1	57%	0.57	45%	0.452	S	S	*	.	H	α-helix	trans	-62.3	-39.7	177.7	-167.1	176.3	12.6	0	0	112.3	A1047 D1048 E1054 N1055	A1047-Q1051 WeakPolarHBondContact O-CB 3.36Å; A1047-Q1051 PolarHBondContact O-N 2.92Å; D1048-Q1051 PolarHBondContact O-N 3.13Å; Q1051-E1054 PolarHBondContact O-N 3.47Å; Q1051-N1055 WeakPolarHBondContact O-CB 3.35Å; Q1051-N1055 VanDerWaalsContact O-CG 3.22Å; Q1051-N1055 PolarHBondContact O-N 2.9Å; Q1051-N1055 PolarHBondContact O-ND2 3.15Å
1052	R	66.4	Low	67.5	Low	158 Å²	158	87.4 Å²	87.4	60%	0.596	45%	0.454	S	S	*	.	H	α-helix	trans	-64.8	-37.4	173.1	-76.2	174.1	-179.5	174.1	1.2	112.4	D1048 I1049 R1050 K1056	D1048-R1052 WeakPolarHBondContact O-CB 3.44Å; D1048-R1052 VanDerWaalsContact O-CG 3.28Å; D1048-R1052 WeakPolarHBondContact O-CG 3.4Å; D1048-R1052 PolarHBondContact O-N 3.27Å; D1048-R1052 IonicContact OD2-CZ 3.35Å; D1048-R1052 IonicContact OD2-NH1 3.64Å; I1049-R1052 PolarHBondContact O-N 2.95Å; R1050-R1052 VanDerWaalsContact C-N 3.35Å; R1050-R1052 PolarHBondContact O-N 2.87Å; R1052-K1056 WeakPolarHBondContact O-CB 3.44Å; R1052-K1056 PolarHBondContact O-N 3.3Å
1053	M	72.9	Confident	68.5	Low	63 Å²	63	85.6 Å²	85.6	31%	0.31	44%	0.437	S	S	.	.	H	α-helix	trans	-69	-43.2	176.4	-72.8	-178.6	-176.2	0	0	111.8	L1036 I1049 R1050 K1056 V1057	L1036-M1053 HydrophobicContact CD1-CB 3.63Å; I1049-M1053 HydrophobicContact CG2-CE 3.52Å; I1049-M1053 HydrophobicContact CG2-SD 4.24Å; I1049-M1053 WeakPolarHBondContact O-CB 3.21Å; I1049-M1053 VanDerWaalsContact O-CG 3.26Å; I1049-M1053 WeakPolarHBondContact O-CG 3.06Å; I1049-M1053 PolarHBondContact O-N 3.41Å; R1050-M1053 WeakPolarHBondContact O-CB 3.29Å; R1050-M1053 PolarHBondContact O-N 2.86Å; R1050-M1053 VanDerWaalsContact O-N 3.09Å; M1053-K1056 WeakPolarHBondContact O-CB 3.38Å; M1053-K1056 PolarHBondContact O-N 3.49Å; M1053-V1057 WeakPolarHBondContact O-CG2 3.38Å; M1053-V1057 PolarHBondContact O-N 2.96Å
1054	E	73.6	Confident	69.6	Low	95 Å²	95	80.1 Å²	80.1	44%	0.444	40%	0.403	S	S	.	.	H	α-helix	trans	-61.5	-47.4	174.9	-71.9	171.8	179.6	0	0	111.4	L1036 R1050 Q1051 K1056 V1057 S1058	L1036-E1054 HydrophobicContact CD1-CG 3.89Å; L1036-E1054 HydrophobicContact CD2-CG 4.4Å; R1050-E1054 WeakPolarHBondContact O-CG 3.41Å; R1050-E1054 PolarHBondContact O-N 3.28Å; Q1051-E1054 PolarHBondContact O-N 3.47Å; E1054-K1056 VanDerWaalsContact C-N 3.27Å; E1054-K1056 PolarHBondContact O-N 3.17Å; E1054-V1057 PolarHBondContact O-N 3.29Å; E1054-V1057 VanDerWaalsContact O-N 3.15Å; E1054-S1058 WeakPolarHBondContact O-CB 3.49Å; E1054-S1058 PolarHBondContact O-N 2.94Å
1055	N	70.2	Confident	70.4	Confident	94 Å²	94	78 Å²	78	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-57.8	-41.6	174.7	-76	-15.6	0	0	0	111.7	Q1051 S1058 V1059	Q1051-N1055 WeakPolarHBondContact O-CB 3.35Å; Q1051-N1055 VanDerWaalsContact O-CG 3.22Å; Q1051-N1055 PolarHBondContact O-N 2.9Å; Q1051-N1055 PolarHBondContact O-ND2 3.15Å; N1055-S1058 PolarHBondContact O-N 3.46Å; N1055-V1059 WeakPolarHBondContact O-CB 3.42Å; N1055-V1059 VanDerWaalsContact O-CG2 3.22Å; N1055-V1059 WeakPolarHBondContact O-CG2 3.16Å; N1055-V1059 PolarHBondContact O-N 3.5Å
1056	K	73.5	Confident	70.9	Confident	132 Å²	132	78.7 Å²	78.7	57%	0.574	40%	0.398	S	S	*	.	H	α-helix	trans	-66	-39.3	177.9	-173.4	173.7	-177.7	171.1	0	112.6	R1052 M1053 E1054 L1060	R1052-K1056 WeakPolarHBondContact O-CB 3.44Å; R1052-K1056 PolarHBondContact O-N 3.3Å; M1053-K1056 WeakPolarHBondContact O-CB 3.38Å; M1053-K1056 PolarHBondContact O-N 3.49Å; E1054-K1056 VanDerWaalsContact C-N 3.27Å; E1054-K1056 PolarHBondContact O-N 3.17Å; K1056-L1060 HydrophobicContact CG-CD1 4.37Å; K1056-L1060 WeakPolarHBondContact O-CB 3.24Å; K1056-L1060 VanDerWaalsContact O-CG 3.28Å; K1056-L1060 WeakPolarHBondContact O-CG 3.33Å; K1056-L1060 PolarHBondContact O-N 3.2Å; K1056-L1060 VanDerWaalsContact O-N 3.11Å
1057	V	78.5	Confident	70.8	Confident	11 Å²	11	76.3 Å²	76.3	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-47.8	174.4	168.3	0	0	0	0	110.3	L1029 L1033 M1053 E1054 V1059 L1060 Q1061	L1029-V1057 HydrophobicContact CD1-CG1 4.08Å; L1033-V1057 HydrophobicContact CD2-CG1 3.65Å; L1033-V1057 HydrophobicContact CD2-CG2 4.39Å; L1033-V1057 HydrophobicContact CG-CG1 4.33Å; M1053-V1057 WeakPolarHBondContact O-CG2 3.38Å; M1053-V1057 PolarHBondContact O-N 2.96Å; E1054-V1057 PolarHBondContact O-N 3.29Å; E1054-V1057 VanDerWaalsContact O-N 3.15Å; V1057-V1059 PolarHBondContact O-N 3.43Å; V1057-L1060 PolarHBondContact O-N 2.94Å; V1057-Q1061 HydrophobicContact CG1-CG 4.38Å; V1057-Q1061 WeakPolarHBondContact O-CG 3.38Å; V1057-Q1061 PolarHBondContact O-N 3.45Å
1058	S	70.8	Confident	71.2	Confident	59 Å²	59	76.2 Å²	76.2	41%	0.413	37%	0.367	S	S	.	.	H	α-helix	trans	-58	-46.1	178.2	-173.5	0	0	0	0	112	E1054 N1055 L1060 Q1061 Q1062	E1054-S1058 WeakPolarHBondContact O-CB 3.49Å; E1054-S1058 PolarHBondContact O-N 2.94Å; N1055-S1058 PolarHBondContact O-N 3.46Å; S1058-L1060 PolarHBondContact O-N 2.96Å; S1058-Q1061 PolarHBondContact O-N 3.43Å; S1058-Q1062 WeakPolarHBondContact O-CB 3.44Å; S1058-Q1062 PolarHBondContact O-N 3.46Å
1059	V	68.6	Low	71.4	Confident	88 Å²	88	77.1 Å²	77.1	53%	0.533	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-43.4	177.3	169.8	0	0	0	0	111.5	N1055 V1057 Q1062 E1063	N1055-V1059 WeakPolarHBondContact O-CB 3.42Å; N1055-V1059 VanDerWaalsContact O-CG2 3.22Å; N1055-V1059 WeakPolarHBondContact O-CG2 3.16Å; N1055-V1059 PolarHBondContact O-N 3.5Å; V1057-V1059 PolarHBondContact O-N 3.43Å; V1059-Q1062 PolarHBondContact O-N 2.73Å; V1059-E1063 WeakPolarHBondContact O-CB 3.28Å; V1059-E1063 PolarHBondContact O-N 3.01Å
1060	L	71.6	Confident	71.2	Confident	20 Å²	20	76.5 Å²	76.5	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-40.7	178.2	-75	171	0	0	0	112.4	L1025 L1029 K1056 V1057 S1058 E1063 L1064	L1025-L1060 HydrophobicContact CD2-CD2 3.97Å; L1029-L1060 HydrophobicContact CD1-CB 3.95Å; K1056-L1060 HydrophobicContact CG-CD1 4.37Å; K1056-L1060 WeakPolarHBondContact O-CB 3.24Å; K1056-L1060 VanDerWaalsContact O-CG 3.28Å; K1056-L1060 WeakPolarHBondContact O-CG 3.33Å; K1056-L1060 PolarHBondContact O-N 3.2Å; K1056-L1060 VanDerWaalsContact O-N 3.11Å; V1057-L1060 PolarHBondContact O-N 2.94Å; S1058-L1060 PolarHBondContact O-N 2.96Å; L1060-E1063 PolarHBondContact O-N 3.27Å; L1060-L1064 PolarHBondContact O-N 3.2Å; L1060-L1064 WeakPolarHBondContact O-CB 3.4Å
1061	Q	76.3	Confident	71.4	Confident	96 Å²	96	74.3 Å²	74.3	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-42.5	175.4	-74.9	175.8	-33.8	0	0	111.4	L1029 V1057 S1058 L1064 K1065	L1029-Q1061 HydrophobicContact CD1-CG 3.8Å; L1029-Q1061 HydrophobicContact CD2-CG 3.88Å; V1057-Q1061 HydrophobicContact CG1-CG 4.38Å; V1057-Q1061 WeakPolarHBondContact O-CG 3.38Å; V1057-Q1061 PolarHBondContact O-N 3.45Å; S1058-Q1061 PolarHBondContact O-N 3.43Å; Q1061-L1064 PolarHBondContact O-N 3.24Å; Q1061-K1065 WeakPolarHBondContact O-CB 3.29Å; Q1061-K1065 PolarHBondContact O-N 3.22Å
1062	Q	70.1	Confident	71.4	Confident	130 Å²	130	74.3 Å²	74.3	61%	0.607	36%	0.357	S	S	*	.	H	α-helix	trans	-68	-39.5	178.4	-165.4	165.7	8.5	0	0	111.9	S1058 V1059 T1066	S1058-Q1062 WeakPolarHBondContact O-CB 3.44Å; S1058-Q1062 PolarHBondContact O-N 3.46Å; V1059-Q1062 PolarHBondContact O-N 2.73Å; Q1062-T1066 VanDerWaalsContact O-CB 3.3Å; Q1062-T1066 WeakPolarHBondContact O-CB 3.35Å; Q1062-T1066 PolarHBondContact O-N 3.04Å; Q1062-T1066 PolarHBondContact O-OG1 3.4Å
1063	E	70.9	Confident	71.4	Confident	62 Å²	62	70.2 Å²	70.2	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-43.8	172.7	-169.2	-178.4	167.9	0	0	110.9	R1021 L1025 V1059 L1060 T1066 I1067	R1021-E1063 IonicContact CZ-OE1 2.77Å; R1021-E1063 IonicContact NE-OE1 2.85Å; R1021-E1063 PolarHBondContact NE-OE1 2.95Å; R1021-E1063 IonicContact NH2-OE1 2.62Å; R1021-E1063 PolarHBondContact NH2-OE1 3.3Å; L1025-E1063 HydrophobicContact CD1-CG 3.97Å; V1059-E1063 WeakPolarHBondContact O-CB 3.28Å; V1059-E1063 PolarHBondContact O-N 3.01Å; L1060-E1063 PolarHBondContact O-N 3.27Å; E1063-T1066 PolarHBondContact O-N 3.05Å; E1063-I1067 HydrophobicContact CG-CD1 4.18Å; E1063-I1067 VanDerWaalsContact O-CG1 3.3Å; E1063-I1067 WeakPolarHBondContact O-CG1 3.34Å; E1063-I1067 PolarHBondContact O-N 3.47Å
1064	L	75.8	Confident	71.1	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-51.2	177.4	-106.2	149.7	0	0	0	112.4	K1022 L1025 L1026 L1029 L1060 Q1061 T1066 I1067 E1068	K1022-L1064 HydrophobicContact CG-CD2 3.83Å; L1025-L1064 HydrophobicContact CB-CD1 4.16Å; L1025-L1064 HydrophobicContact CB-CG 4.26Å; L1026-L1064 HydrophobicContact CD2-CD1 4.45Å; L1026-L1064 HydrophobicContact CD2-CD2 4.21Å; L1026-L1064 HydrophobicContact CG-CD2 4.09Å; L1029-L1064 HydrophobicContact CB-CD1 4.18Å; L1029-L1064 HydrophobicContact CD2-CD1 3.59Å; L1060-L1064 PolarHBondContact O-N 3.2Å; L1060-L1064 WeakPolarHBondContact O-CB 3.4Å; Q1061-L1064 PolarHBondContact O-N 3.24Å; L1064-T1066 VanDerWaalsContact C-N 3.26Å; L1064-T1066 PolarHBondContact O-N 2.93Å; L1064-I1067 PolarHBondContact O-N 3.41Å; L1064-E1068 WeakPolarHBondContact O-CG 3.3Å; L1064-E1068 PolarHBondContact O-N 3.36Å
1065	K	73.3	Confident	70.8	Confident	134 Å²	134	68.6 Å²	68.6	58%	0.583	34%	0.342	S	S	*	.	H	α-helix	trans	-56.9	-43.7	177.2	-174.2	177.9	-179.2	-178.3	0	111.2	Q1061 I1067 E1068 D1069	Q1061-K1065 WeakPolarHBondContact O-CB 3.29Å; Q1061-K1065 PolarHBondContact O-N 3.22Å; K1065-I1067 VanDerWaalsContact C-N 3.32Å; K1065-I1067 PolarHBondContact O-N 2.88Å; K1065-E1068 PolarHBondContact O-N 3.4Å; K1065-D1069 WeakPolarHBondContact O-CB 3.31Å; K1065-D1069 VanDerWaalsContact O-CG 3.32Å; K1065-D1069 PolarHBondContact O-N 2.96Å
1066	T	66.9	Low	70.5	Confident	47 Å²	47	68.5 Å²	68.5	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-36.3	177.4	-56.4	0	0	0	0	112.4	Q1062 E1063 L1064 R1070	Q1062-T1066 VanDerWaalsContact O-CB 3.3Å; Q1062-T1066 WeakPolarHBondContact O-CB 3.35Å; Q1062-T1066 PolarHBondContact O-N 3.04Å; Q1062-T1066 PolarHBondContact O-OG1 3.4Å; E1063-T1066 PolarHBondContact O-N 3.05Å; L1064-T1066 VanDerWaalsContact C-N 3.26Å; L1064-T1066 PolarHBondContact O-N 2.93Å; T1066-R1070 WeakPolarHBondContact O-CG 3.48Å; T1066-R1070 PolarHBondContact O-N 2.9Å; T1066-R1070 WeakPolarHBondContact O-CD 3.26Å; T1066-R1070 WeakPolarHBondContact O-CB 3.35Å
1067	I	68.3	Low	69.9	Low	11 Å²	11	65.9 Å²	65.9	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-42.1	175.3	-70.9	165.2	0	0	0	110.8	L1018 R1021 K1022 L1025 E1063 L1064 K1065 R1070 I1071	L1018-I1067 HydrophobicContact CB-CG2 4.26Å; L1018-I1067 HydrophobicContact CD2-CG2 4.43Å; R1021-I1067 HydrophobicContact CG-CD1 3.87Å; K1022-I1067 HydrophobicContact CB-CG2 4.22Å; L1025-I1067 HydrophobicContact CD1-CD1 3.63Å; E1063-I1067 HydrophobicContact CG-CD1 4.18Å; E1063-I1067 VanDerWaalsContact O-CG1 3.3Å; E1063-I1067 WeakPolarHBondContact O-CG1 3.34Å; E1063-I1067 PolarHBondContact O-N 3.47Å; L1064-I1067 PolarHBondContact O-N 3.41Å; K1065-I1067 VanDerWaalsContact C-N 3.32Å; K1065-I1067 PolarHBondContact O-N 2.88Å; I1067-R1070 PolarHBondContact O-N 3.46Å; I1067-I1071 HydrophobicContact CG2-CD1 3.93Å; I1067-I1071 HydrophobicContact CG2-CG1 4.44Å; I1067-I1071 WeakPolarHBondContact O-CG1 3.12Å; I1067-I1071 PolarHBondContact O-N 3.31Å
1068	E	74.5	Confident	69	Low	81 Å²	81	69.3 Å²	69.3	38%	0.379	35%	0.349	S	S	.	.	H	α-helix	trans	-64	-48	179	-71.1	-179	146.8	0	0	112.3	K1022 L1064 K1065 R1070 I1071 K1072	K1022-E1068 HydrophobicContact CD-CG 4.22Å; K1022-E1068 WeakPolarHBondContact CE-OE1 3.31Å; K1022-E1068 IonicContact NZ-OE1 2.69Å; K1022-E1068 PolarHBondContact NZ-OE1 2.99Å; L1064-E1068 WeakPolarHBondContact O-CG 3.3Å; L1064-E1068 PolarHBondContact O-N 3.36Å; K1065-E1068 PolarHBondContact O-N 3.4Å; E1068-R1070 PolarHBondContact O-N 3.31Å; E1068-I1071 PolarHBondContact O-N 3.48Å; E1068-K1072 PolarHBondContact O-N 3.39Å
1069	D	68.8	Low	68.1	Low	88 Å²	88	70.9 Å²	70.9	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-59.1	-34.4	176.1	-70.2	-23.9	0	0	0	111	K1065 K1072 V1073	K1065-D1069 WeakPolarHBondContact O-CB 3.31Å; K1065-D1069 VanDerWaalsContact O-CG 3.32Å; K1065-D1069 PolarHBondContact O-N 2.96Å; D1069-K1072 WeakPolarHBondContact O-CB 3.21Å; D1069-V1073 VanDerWaalsContact O-CG2 3.31Å; D1069-V1073 WeakPolarHBondContact O-CG2 3.26Å; D1069-V1073 PolarHBondContact O-N 3.03Å
1070	R	64.6	Low	67.1	Low	43 Å²	43	75.7 Å²	75.7	16%	0.162	37%	0.373	C	S	.	.	H	α-helix	trans	-75.4	-41.2	177	-76.5	176.4	-163.6	179.9	13.7	114.5	V992 T1066 I1067 E1068 K1072 V1073 L1074	V992-R1070 VanDerWaalsContact CB-NH2 3.27Å; V992-R1070 PolarHBondContact O-NH1 3.06Å; V992-R1070 PolarHBondContact O-NH2 3.34Å; T1066-R1070 WeakPolarHBondContact O-CG 3.48Å; T1066-R1070 PolarHBondContact O-N 2.9Å; T1066-R1070 WeakPolarHBondContact O-CD 3.26Å; T1066-R1070 WeakPolarHBondContact O-CB 3.35Å; I1067-R1070 PolarHBondContact O-N 3.46Å; E1068-R1070 PolarHBondContact O-N 3.31Å; R1070-K1072 PolarHBondContact O-N 3.11Å; R1070-V1073 PolarHBondContact O-N 3.32Å; R1070-L1074 PolarHBondContact O-N 2.95Å; R1070-L1074 WeakPolarHBondContact O-CG 3.41Å; R1070-L1074 VanDerWaalsContact O-CG 3.26Å; R1070-L1074 WeakPolarHBondContact O-CB 3.32Å
1071	I	72.8	Confident	65.8	Low	17 Å²	17	80.6 Å²	80.6	9%	0.087	43%	0.429	C	S	.	.	H	α-helix	trans	-56.6	-42.5	173.5	-71.7	168.9	0	0	0	108.4	L1018 I1067 E1068 L1074 Q1075	L1018-I1071 HydrophobicContact CB-CD1 4.03Å; L1018-I1071 HydrophobicContact CB-CG1 3.8Å; L1018-I1071 HydrophobicContact CD1-CG1 4.33Å; I1067-I1071 HydrophobicContact CG2-CD1 3.93Å; I1067-I1071 HydrophobicContact CG2-CG1 4.44Å; I1067-I1071 WeakPolarHBondContact O-CG1 3.12Å; I1067-I1071 PolarHBondContact O-N 3.31Å; E1068-I1071 PolarHBondContact O-N 3.48Å; I1071-L1074 PolarHBondContact O-N 3.3Å; I1071-Q1075 HydrophobicContact CG2-CG 4.41Å; I1071-Q1075 WeakPolarHBondContact O-CB 3.5Å; I1071-Q1075 WeakPolarHBondContact O-CG 3.39Å; I1071-Q1075 PolarHBondContact O-N 3.09Å
1072	K	71.3	Confident	65.2	Low	122 Å²	122	79.9 Å²	79.9	53%	0.53	43%	0.428	S	S	.	.	H	α-helix	trans	-61.4	-49.6	176.2	-170.9	178.7	178.8	-174.7	0	112.7	E1068 D1069 R1070 L1074 Q1075 E1076	E1068-K1072 PolarHBondContact O-N 3.39Å; D1069-K1072 WeakPolarHBondContact O-CB 3.21Å; R1070-K1072 PolarHBondContact O-N 3.11Å; K1072-L1074 VanDerWaalsContact C-N 3.34Å; K1072-L1074 PolarHBondContact O-N 3.36Å; K1072-Q1075 PolarHBondContact O-N 2.69Å; K1072-E1076 WeakPolarHBondContact CE-OE1 3.39Å; K1072-E1076 PolarHBondContact O-N 3.44Å; K1072-E1076 WeakPolarHBondContact O-CG 3.32Å
1073	V	65.6	Low	65	Low	72 Å²	72	77.2 Å²	77.2	44%	0.436	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-40.1	177	170.1	0	0	0	0	112.1	D1069 R1070 E1076 T1077	D1069-V1073 VanDerWaalsContact O-CG2 3.31Å; D1069-V1073 WeakPolarHBondContact O-CG2 3.26Å; D1069-V1073 PolarHBondContact O-N 3.03Å; R1070-V1073 PolarHBondContact O-N 3.32Å; V1073-E1076 PolarHBondContact O-N 3.22Å; V1073-T1077 WeakPolarHBondContact O-CB 3.45Å; V1073-T1077 PolarHBondContact O-N 3.45Å; V1073-T1077 PolarHBondContact O-OG1 3.28Å
1074	L	66.3	Low	64.7	Low	24 Å²	24	78.1 Å²	78.1	13%	0.126	43%	0.426	C	S	.	.	H	α-helix	trans	-68.2	-38.2	178.7	-70.9	166.9	0	0	0	112.1	L1014 I1015 L1018 R1070 I1071 K1072 T1077 Q1078	L1014-L1074 HydrophobicContact CD2-CD1 3.82Å; L1014-L1074 HydrophobicContact CD2-CD2 4.13Å; I1015-L1074 HydrophobicContact CD1-CB 4.32Å; I1015-L1074 HydrophobicContact CG1-CB 4.1Å; L1018-L1074 HydrophobicContact CD1-CD1 3.5Å; L1018-L1074 VanDerWaalsContact CD1-CD1 3.5Å; R1070-L1074 PolarHBondContact O-N 2.95Å; R1070-L1074 WeakPolarHBondContact O-CG 3.41Å; R1070-L1074 VanDerWaalsContact O-CG 3.26Å; R1070-L1074 WeakPolarHBondContact O-CB 3.32Å; I1071-L1074 PolarHBondContact O-N 3.3Å; K1072-L1074 VanDerWaalsContact C-N 3.34Å; K1072-L1074 PolarHBondContact O-N 3.36Å; L1074-T1077 PolarHBondContact O-N 2.66Å; L1074-Q1078 PolarHBondContact O-N 3.02Å
1075	Q	68.1	Low	64	Low	99 Å²	99	82.1 Å²	82.1	46%	0.463	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-38	172.6	-73.4	171.2	-23.9	0	0	112.3	I1015 I1071 K1072 T1077 Q1078 S1079	I1015-Q1075 HydrophobicContact CD1-CG 3.96Å; I1071-Q1075 HydrophobicContact CG2-CG 4.41Å; I1071-Q1075 WeakPolarHBondContact O-CB 3.5Å; I1071-Q1075 WeakPolarHBondContact O-CG 3.39Å; I1071-Q1075 PolarHBondContact O-N 3.09Å; K1072-Q1075 PolarHBondContact O-N 2.69Å; Q1075-T1077 VanDerWaalsContact C-N 3.32Å; Q1075-Q1078 PolarHBondContact O-N 2.83Å; Q1075-S1079 PolarHBondContact O-N 3.17Å; Q1075-S1079 PolarHBondContact O-OG 3.43Å
1076	E	64.6	Low	63.4	Low	93 Å²	93	78.8 Å²	78.8	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-69	-29.3	174.3	-73	173.6	-169.2	0	0	112.6	K1072 V1073 S1079	K1072-E1076 WeakPolarHBondContact CE-OE1 3.39Å; K1072-E1076 PolarHBondContact O-N 3.44Å; K1072-E1076 WeakPolarHBondContact O-CG 3.32Å; V1073-E1076 PolarHBondContact O-N 3.22Å; E1076-S1079 WeakPolarHBondContact CA-OG 3.41Å; E1076-S1079 PolarHBondContact O-OG 3.34Å; E1076-S1079 VanDerWaalsContact O-OG 3.11Å
1077	T	59.6	Low	63.2	Low	77 Å²	77	80.9 Å²	80.9	47%	0.472	45%	0.449	S	S	.	.	H	α-helix	trans	-76.9	-35	176.2	-48.4	0	0	0	0	111.2	V1073 L1074 Q1075 S1079 K1080	V1073-T1077 WeakPolarHBondContact O-CB 3.45Å; V1073-T1077 PolarHBondContact O-N 3.45Å; V1073-T1077 PolarHBondContact O-OG1 3.28Å; L1074-T1077 PolarHBondContact O-N 2.66Å; Q1075-T1077 VanDerWaalsContact C-N 3.32Å; T1077-S1079 VanDerWaalsContact C-N 3.26Å; T1077-S1079 PolarHBondContact O-N 2.92Å; T1077-K1080 PolarHBondContact O-N 3.4Å
1078	Q	61.1	Low	62.8	Low	82 Å²	82	85.9 Å²	85.9	38%	0.383	48%	0.477	S	S	.	.	H	α-helix	trans	-68.8	-21.2	174.8	-164.1	-179.3	13.8	0	0	113.3	I1011 L1074 Q1075	I1011-Q1078 HydrophobicContact CG2-CB 4.42Å; L1074-Q1078 PolarHBondContact O-N 3.02Å; Q1075-Q1078 PolarHBondContact O-N 2.83Å
1079	S	52.2	Low	61.9	Low	92 Å²	92	86.3 Å²	86.3	64%	0.643	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-5.4	179.9	36.2	0	0	0	0	114	Q1075 E1076 T1077	Q1075-S1079 PolarHBondContact O-N 3.17Å; Q1075-S1079 PolarHBondContact O-OG 3.43Å; E1076-S1079 WeakPolarHBondContact CA-OG 3.41Å; E1076-S1079 PolarHBondContact O-OG 3.34Å; E1076-S1079 VanDerWaalsContact O-OG 3.11Å; T1077-S1079 VanDerWaalsContact C-N 3.26Å; T1077-S1079 PolarHBondContact O-N 2.92Å
1080	K	47	Very low	61.4	Low	190 Å²	190	86.2 Å²	86.2	83%	0.826	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-7.6	179.5	-76.5	-177.1	177.6	176.6	0	114.6	T1077	T1077-K1080 PolarHBondContact O-N 3.4Å
1081	G	43.4	Very low	61.1	Low	123 Å²	123	90.1 Å²	90.1	100%	1.268	52%	0.515	S	S	*	.			trans	-113.2	0	170.5	0	0	0	0	0	109.9

Retrieved 1,081 of 1,081 residues in 1390.3 ms (Link to these results)

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