A0A061IMU6_CRIGR Loading...

SLIT and NTRK-like family, member 3

AlphaFold DB , UniProt , Accession A0A061IMU6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Slitrk3, Length 980 aa.

						>A0A061IMU6_CRIGR|A0A061IMU6|Slitrk3
MMKLSIAEMLHRGRMLWIILLSTIALGWTTPIPLIEDSEEIDEPCFDPCYCEVKESLFHIHCDSKGFTNISQITEFWSRPFKLYLQRNSMRKLYTNSFLHLNNAVSINLGNNALQDIQTGAFNGLKILKRLYLHENKLDVFRNDTFLGLESLEYLQADYNVIKRIESGAFRNLSKLRVLILNDNLIPVLPTNLFKAVSLTHLDLRGNRLKVLFYRGMLDHIGRSLMELQLEENPWNCTCEIVQLKSWLERIPYTALVGDITCETPFHFHGKDLREIKKTELCPLLSDSEVEASLGIPHLSSSKENAWPTKPSSMLSSVHFTASSVEYKSSNKQPKPTKQPRTPRPPSTSQALYPGPNQPPIAPYQTRPPIPIICPTGCTCNLHINDLGLTVNCKERGFNNISELLPRPLNAKKLYLSSNLIQKIYRSDFWNFSSLDLLHLGNNRISYVQDGAFINLPNLKSLFLNGNDIEKLTPGMFRGLQSLHYLYFEFNVIREIQPAAFSLMPNLKLLFLNNNLLRTLPTDAFAGTSLARLNLRKNYFLYLPVAGVLEHLNAIVQIDLNENPWDCTCDLVPFKQWIETISSVSVVGDVLCRTPENLTHRDVRTIELEVLCPEMLHIAPPGPSPPQPGDYHPNGGPTNASPYEFSPPGGPVPLSVLILSLLVLFFSAVFVAAGLFAYVLRRRRKKLPFRSKRQEGVDLTGIQMQCHRLFEDSGGNGGGSGGGGRPTLSSPEKAPPVGHVYEYIPHPVTQMCNNPIYKPREEEEVAASATQETGAAERGCPGTQPPGMGEGLLGSEQFAETPKENHSNYRTLLEKEKEWALAVSNSQLNTIVTVNHHHPHPHHSTIGGVSGVGGGTGADLAGFRHHEKNGGVVLFPPGGGCGGGSMLLDRERPQPAPCTVGFVDCLYGTVPKLKELHVHPPGMHYPDLQQDARLKETLLFSAGKGFTDHQTPKSDYLDLRAKLQTKPDYLEVLEKTAYRF
					

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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	36.6	Very low	40	Very low	234 Å²	234	147.5 Å²	147.5	100%	1.153	75%	0.751	S	S	*	*				0	153	0	-93.5	-172.9	171.7	0	0	109.3
2	M	32.3	Very low	40.6	Very low	171 Å²	171	153.1 Å²	153.1	84%	0.842	76%	0.755	S	S	*	*			trans	67.9	156.1	162.4	-68.1	-178.6	170.7	0	0	119.6
3	K	35.6	Very low	41.2	Very low	195 Å²	195	144.7 Å²	144.7	85%	0.848	73%	0.732	S	S	*	*			trans	63.4	88.4	170.8	-62.1	172.6	-174.2	-179.7	0	113.7
4	L	33.2	Very low	41.8	Very low	175 Å²	175	147.6 Å²	147.6	92%	0.916	73%	0.73	S	S	*	*			cis	70.1	130.2	38	-151.2	80.7	0	0	0	113.8
5	S	39.1	Very low	42.4	Very low	62 Å²	62	145.1 Å²	145.1	43%	0.434	72%	0.717	S	S	.	*			trans	54.3	92.6	-176	-152.2	0	0	0	0	118.5	E8	S5-E8 WeakPolarHBondContact CB-OE2 3.32Å; S5-E8 PolarHBondContact OG-OE2 3.07Å
6	I	42.1	Very low	42.7	Very low	152 Å²	152	143.8 Å²	143.8	78%	0.779	71%	0.713	S	S	*	*			trans	-106.6	9.7	143.5	-63.2	175.9	0	0	0	109.3	E8	I6-E8 VanDerWaalsContact C-N 3.33Å; I6-E8 PolarHBondContact O-N 2.67Å
7	A	41	Very low	43.1	Very low	60 Å²	60	146.5 Å²	146.5	50%	0.496	71%	0.714	S	S	.	*	H	α-helix	trans	-69.6	-27.6	-174.1	0	0	0	0	0	113.4
8	E	45.4	Very low	43.6	Very low	148 Å²	148	144.4 Å²	144.4	69%	0.692	71%	0.705	S	S	*	*	H	α-helix	trans	-79.7	-20.8	-171.1	-73.4	161.6	98.3	0	0	114.3	S5 I6	S5-E8 WeakPolarHBondContact CB-OE2 3.32Å; S5-E8 PolarHBondContact OG-OE2 3.07Å; I6-E8 VanDerWaalsContact C-N 3.33Å; I6-E8 PolarHBondContact O-N 2.67Å
9	M	43.3	Very low	44	Very low	168 Å²	168	142 Å²	142	83%	0.828	69%	0.694	S	S	*	*	H	α-helix	trans	-84.4	-26.2	175.6	-71.3	-143.8	72.8	0	0	114.1
10	L	44.9	Very low	44.1	Very low	123 Å²	123	140.5 Å²	140.5	64%	0.644	69%	0.689	S	S	*	*	H	α-helix	trans	-78.9	-23.5	174.6	-112.6	72.2	0	0	0	113.3
11	H	46.2	Very low	44.3	Very low	135 Å²	135	139 Å²	139	63%	0.625	68%	0.684	S	S	*	*	H	α-helix	trans	-75.2	-31.8	-175.5	-111.5	-78.9	0	0	0	114.5	M15	H11-M15 PolarHBondContact O-N 3.47Å
12	R	47.3	Very low	44.7	Very low	214 Å²	214	130.6 Å²	130.6	81%	0.808	65%	0.648	S	S	*	*	H	α-helix	trans	-70	-31.1	174.3	-88.7	-173.9	169.1	-172.6	-3.1	113.3
13	G	48.3	Very low	45.4	Very low	44 Å²	44	126.6 Å²	126.6	45%	0.454	63%	0.633	S	S	.	*	H	α-helix	trans	-69.8	-41.7	178.2	0	0	0	0	0	113.8
14	R	49.8	Very low	46	Very low	186 Å²	186	123.3 Å²	123.3	70%	0.702	62%	0.623	S	S	*	*	H	α-helix	trans	-79	-29.6	-177.2	-65.4	178.4	85.5	168.3	3.6	113.6	W17 I18	R14-W17 PolarHBondContact O-N 3.24Å; R14-I18 WeakPolarHBondContact O-CG1 3.32Å; R14-I18 PolarHBondContact O-N 3.2Å
15	M	50.3	Low	46.4	Very low	110 Å²	110	118.7 Å²	118.7	54%	0.542	61%	0.611	S	S	.	*	H	α-helix	trans	-63.9	-42.2	175.2	-86	-64.2	-154.7	0	0	112.8	H11 W17 I18 I19	H11-M15 PolarHBondContact O-N 3.47Å; M15-W17 VanDerWaalsContact C-N 3.34Å; M15-W17 PolarHBondContact O-N 3.28Å; M15-I18 PolarHBondContact O-N 2.75Å; M15-I19 WeakPolarHBondContact O-CG1 3.47Å; M15-I19 PolarHBondContact O-N 2.96Å
16	L	48.6	Very low	46.8	Very low	124 Å²	124	122 Å²	122	65%	0.649	62%	0.622	S	S	*	*	H	α-helix	trans	-63	-37.6	179.4	-101.3	146.9	0	0	0	112.8	L20	L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 PolarHBondContact O-N 3.35Å
17	W	49.3	Very low	46.5	Very low	190 Å²	190	117.5 Å²	117.5	72%	0.72	61%	0.614	S	S	*	*	H	α-helix	trans	-68	-37	175.3	-93.4	67.7	0	0	0	113.4	R14 M15 L21	R14-W17 PolarHBondContact O-N 3.24Å; M15-W17 VanDerWaalsContact C-N 3.34Å; M15-W17 PolarHBondContact O-N 3.28Å; W17-L21 WeakPolarHBondContact O-CB 3.46Å; W17-L21 WeakPolarHBondContact O-CG 3.3Å; W17-L21 PolarHBondContact O-N 3.48Å; W17-L21 VanDerWaalsContact O-N 3.1Å
18	I	50.9	Low	46.4	Very low	109 Å²	109	126.4 Å²	126.4	56%	0.559	64%	0.635	S	S	*	*	H	α-helix	trans	-70.6	-39.3	178.5	-67.2	170.8	0	0	0	110.7	R14 M15 L21 S22	R14-I18 WeakPolarHBondContact O-CG1 3.32Å; R14-I18 PolarHBondContact O-N 3.2Å; M15-I18 PolarHBondContact O-N 2.75Å; I18-L21 PolarHBondContact O-N 2.85Å; I18-S22 PolarHBondContact O-N 2.93Å; I18-S22 PolarHBondContact O-OG 3.43Å
19	I	51.9	Low	46.4	Very low	98 Å²	98	124.1 Å²	124.1	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-69.1	-35.2	177	-66	167.9	0	0	0	111.9	M15 L21 S22 T23	M15-I19 WeakPolarHBondContact O-CG1 3.47Å; M15-I19 PolarHBondContact O-N 2.96Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-S22 WeakPolarHBondContact CA-OG 3.33Å; I19-S22 PolarHBondContact O-OG 3.23Å; I19-T23 WeakPolarHBondContact O-CG2 3.5Å; I19-T23 PolarHBondContact O-N 3.45Å; I19-T23 VanDerWaalsContact O-N 3.13Å; I19-T23 PolarHBondContact O-OG1 2.92Å
20	L	46.7	Very low	46.4	Very low	111 Å²	111	122.3 Å²	122.3	58%	0.581	63%	0.629	S	S	*	*	H	α-helix	trans	-68.2	-33.8	173.6	-145.9	79.8	0	0	0	112.3	L16 T23 I24	L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 PolarHBondContact O-N 3.35Å; L20-T23 PolarHBondContact O-OG1 2.89Å; L20-I24 WeakPolarHBondContact O-CD1 3.45Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 3.4Å
21	L	48	Very low	45.9	Very low	111 Å²	111	122.5 Å²	122.5	58%	0.581	64%	0.638	S	S	*	*	H	α-helix	trans	-78.1	-33.9	176.8	-75.7	166.2	0	0	0	112.9	W17 I18 I19 A25	W17-L21 WeakPolarHBondContact O-CB 3.46Å; W17-L21 WeakPolarHBondContact O-CG 3.3Å; W17-L21 PolarHBondContact O-N 3.48Å; W17-L21 VanDerWaalsContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 2.85Å; I19-L21 VanDerWaalsContact C-N 3.34Å; L21-A25 PolarHBondContact O-N 2.75Å
22	S	44.2	Very low	45.4	Very low	57 Å²	57	123 Å²	123	40%	0.399	64%	0.644	S	S	.	*	H	α-helix	trans	-71.6	-32.4	174.7	63.4	0	0	0	0	113.1	I18 I19 A25	I18-S22 PolarHBondContact O-N 2.93Å; I18-S22 PolarHBondContact O-OG 3.43Å; I19-S22 WeakPolarHBondContact CA-OG 3.33Å; I19-S22 PolarHBondContact O-OG 3.23Å; S22-A25 PolarHBondContact O-N 2.99Å
23	T	47.3	Very low	44.8	Very low	87 Å²	87	118.5 Å²	118.5	53%	0.534	64%	0.642	S	S	.	*	H	α-helix	trans	-74.4	-29.2	178.2	44.5	0	0	0	0	113.1	I19 L20	I19-T23 WeakPolarHBondContact O-CG2 3.5Å; I19-T23 PolarHBondContact O-N 3.45Å; I19-T23 VanDerWaalsContact O-N 3.13Å; I19-T23 PolarHBondContact O-OG1 2.92Å; L20-T23 PolarHBondContact O-OG1 2.89Å
24	I	47.7	Very low	43.8	Very low	125 Å²	125	124.2 Å²	124.2	64%	0.641	66%	0.662	S	S	*	*	H	α-helix	trans	-76.2	-24.6	174.1	-67	170.5	0	0	0	111.7	L20	L20-I24 WeakPolarHBondContact O-CD1 3.45Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 3.4Å
25	A	42.8	Very low	43.7	Very low	79 Å²	79	122.8 Å²	122.8	65%	0.653	67%	0.666	S	S	*	*	H	α-helix	trans	-83.5	-13.3	179.8	0	0	0	0	0	115.2	L21 S22	L21-A25 PolarHBondContact O-N 2.75Å; S22-A25 PolarHBondContact O-N 2.99Å
26	L	46	Very low	42.9	Very low	130 Å²	130	126.3 Å²	126.3	68%	0.681	68%	0.682	S	S	*	*	S	Bend	trans	-116.9	5.4	-176.5	-74.6	168	0	0	0	114.3	W28	L26-W28 VanDerWaalsContact C-N 3.27Å; L26-W28 PolarHBondContact O-N 3.18Å
27	G	37.4	Very low	42.1	Very low	58 Å²	58	126.5 Å²	126.5	60%	0.598	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	12.7	176.2	0	0	0	0	0	115.7
28	W	37.3	Very low	41.5	Very low	247 Å²	247	122.8 Å²	122.8	94%	0.936	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	25.2	-174	-84.3	69.6	0	0	0	113.4	L26	L26-W28 VanDerWaalsContact C-N 3.27Å; L26-W28 PolarHBondContact O-N 3.18Å
29	T	46.6	Very low	41	Very low	100 Å²	100	123.9 Å²	123.9	61%	0.613	69%	0.689	S	S	*	*	S	Bend	trans	-122	144.1	166.1	48.6	0	0	0	0	109.3
30	T	42.2	Very low	40.6	Very low	130 Å²	130	127.7 Å²	127.7	80%	0.798	71%	0.705	S	S	*	*			trans	58.9	91.3	-173	66.8	0	0	0	0	116.1
31	P	36	Very low	40.5	Very low	127 Å²	127	126.6 Å²	126.6	83%	0.825	70%	0.699	S	S	*	*			trans	-62.2	133.7	139.4	-7.8	25.4	0	0	0	108.9
32	I	35.3	Very low	40.6	Very low	146 Å²	146	128.7 Å²	128.7	75%	0.749	71%	0.71	S	S	*	*			trans	-66.6	143	154	-67	170.1	0	0	0	106.3	L34	I32-L34 PolarHBondContact O-N 3.12Å
33	P	33.5	Very low	41.4	Very low	119 Å²	119	126.9 Å²	126.9	77%	0.773	70%	0.695	S	S	*	*			trans	-64.1	96.6	-178.9	25.9	-35.3	0	0	0	111.3
34	L	29.2	Very low	42	Very low	165 Å²	165	126 Å²	126	86%	0.864	69%	0.691	S	S	*	*			trans	-83.4	120.7	156.3	-81.6	171.5	0	0	0	107.1	I32 E36	I32-L34 PolarHBondContact O-N 3.12Å; L34-E36 PolarHBondContact O-N 3.19Å
35	I	45.8	Very low	43.1	Very low	155 Å²	155	122.2 Å²	122.2	80%	0.795	68%	0.676	S	S	*	*			trans	-67.7	96.6	-178.7	-58.3	161.8	0	0	0	108.2
36	E	35.3	Very low	44.4	Very low	185 Å²	185	121.1 Å²	121.1	86%	0.864	66%	0.656	S	S	*	*			trans	-135.1	39.2	157.5	-149.1	164.1	-129	0	0	109.7	L34 S38	L34-E36 PolarHBondContact O-N 3.19Å; E36-S38 PolarHBondContact O-N 2.89Å
37	D	30.9	Very low	45.2	Very low	128 Å²	128	121.6 Å²	121.6	68%	0.684	66%	0.659	S	S	*	*			trans	-62.6	79.7	157.6	-69.3	-56.2	0	0	0	108.9	E39	D37-E39 HydrophobicContact CB-CG 4.28Å; D37-E39 PolarHBondContact O-N 3.06Å; D37-E39 VanDerWaalsContact O-N 3.11Å
38	S	37.1	Very low	47	Very low	112 Å²	112	122 Å²	122	78%	0.783	65%	0.652	S	S	*	*			trans	-71.7	77.8	136.6	67.8	0	0	0	0	106.7	E36 E40	E36-S38 PolarHBondContact O-N 2.89Å; S38-E40 PolarHBondContact O-N 2.95Å
39	E	39	Very low	49.3	Very low	131 Å²	131	110.6 Å²	110.6	61%	0.612	61%	0.609	S	S	*	*			trans	-45	133.7	162.6	-79.9	170.4	141.3	0	0	107.5	D37 I41	D37-E39 HydrophobicContact CB-CG 4.28Å; D37-E39 PolarHBondContact O-N 3.06Å; D37-E39 VanDerWaalsContact O-N 3.11Å; E39-I41 HydrophobicContact CB-CG1 3.62Å; E39-I41 PolarHBondContact O-N 3.24Å
40	E	45.1	Very low	51.1	Low	178 Å²	178	111.5 Å²	111.5	83%	0.832	60%	0.602	S	S	*	*			trans	-67.5	79.2	146.7	-76.1	-172.4	118.3	0	0	105.7	S38 D42	S38-E40 PolarHBondContact O-N 2.95Å; E40-D42 VanDerWaalsContact C-N 3.28Å; E40-D42 PolarHBondContact O-N 2.85Å
41	I	43.4	Very low	53.1	Low	89 Å²	89	107 Å²	107	46%	0.456	58%	0.575	S	S	.	*			trans	-58	104.5	161.8	-55.1	179.5	0	0	0	103.7	E39 E43	E39-I41 HydrophobicContact CB-CG1 3.62Å; E39-I41 PolarHBondContact O-N 3.24Å; I41-E43 HydrophobicContact CG2-CG 4.11Å; I41-E43 PolarHBondContact O-N 3.39Å
42	D	50.8	Low	55.4	Low	154 Å²	154	103.2 Å²	103.2	82%	0.824	55%	0.547	S	S	*	.			trans	-62.1	81.5	160.6	-81.3	-41.4	0	0	0	106.3	E40 P44	E40-D42 VanDerWaalsContact C-N 3.28Å; E40-D42 PolarHBondContact O-N 2.85Å; D42-P44 WeakPolarHBondContact O-CD 3.47Å
43	E	61.3	Low	57.5	Low	19 Å²	19	100.9 Å²	100.9	9%	0.089	54%	0.539	C	S	.	.			trans	-55.6	114	178.6	-70.3	-169.5	128.8	0	0	107.2	I41 C45 S78 R79	I41-E43 HydrophobicContact CG2-CG 4.11Å; I41-E43 PolarHBondContact O-N 3.39Å; E43-C45 PolarHBondContact O-N 3.34Å; E43-C45 VanDerWaalsContact O-N 3.13Å; E43-S78 WeakPolarHBondContact OE1-CA 3.18Å; E43-S78 VanDerWaalsContact OE1-CB 3.28Å; E43-S78 WeakPolarHBondContact OE1-CB 3.31Å; E43-S78 PolarHBondContact OE1-N 2.88Å; E43-S78 PolarHBondContact OE1-OG 2.87Å; E43-R79 PolarHBondContact OE1-N 2.74Å; E43-R79 WeakPolarHBondContact OE2-CB 3.22Å; E43-R79 VanDerWaalsContact OE2-CD 3.23Å; E43-R79 WeakPolarHBondContact OE2-CD 2.98Å; E43-R79 VanDerWaalsContact OE2-CG 3.27Å; E43-R79 WeakPolarHBondContact OE2-CG 3.28Å; E43-R79 IonicContact OE2-NE 3.05Å
44	P	60.3	Low	59.5	Low	68 Å²	68	99.9 Å²	99.9	44%	0.442	52%	0.522	S	S	.	.			trans	-60.4	124.5	-163.6	20.6	-32.4	0	0	0	109.7	D42 F46 W77	D42-P44 WeakPolarHBondContact O-CD 3.47Å; P44-F46 PolarHBondContact O-N 3.06Å; P44-W77 PolarHBondContact O-NE1 3.35Å
45	C	69	Low	61.1	Low	47 Å²	47	98.8 Å²	98.8	32%	0.318	51%	0.513	S	S	.	.			trans	-75.6	124.2	168.1	-166	0	0	0	0	108.1	E43 D47 C51	E43-C45 PolarHBondContact O-N 3.34Å; E43-C45 VanDerWaalsContact O-N 3.13Å; C45-D47 PolarHBondContact O-N 3.43Å; C45-D47 VanDerWaalsContact O-N 3.12Å; C45-C51 VanDerWaalsContact CA-SG 3.5Å; C45-C51 HydrophobicContact CB-CB 3.72Å; C45-C51 WeakPolarHBondContact CB-SG 3.48Å; C45-C51 WeakPolarHBondContact SG-CB 3.23Å; C45-C51 PolarHBondContact SG-N 3.45Å; C45-C51 CovalentContact SG-SG 2.04Å; C45-C51 PolarHBondContact SG-SG 3.37Å
46	F	69.9	Low	62.1	Low	55 Å²	55	96.8 Å²	96.8	24%	0.241	51%	0.513	C	S	.	.			trans	-70.7	104.7	-178.1	-177.9	-88.9	0	0	0	110.6	P44 C49 F67 Q72 E75	P44-F46 PolarHBondContact O-N 3.06Å; F46-C49 WeakPolarHBondContact O-CA 3.34Å; F46-C49 WeakPolarHBondContact O-CB 3.26Å; F46-C49 PolarHBondContact O-N 3.11Å; F46-C49 PolarHBondContact O-SG 3.06Å; F46-F67 HydrophobicContact CD1-CZ 4.16Å; F46-F67 AromaticContact CE1-CE1 3.84Å; F46-F67 HydrophobicContact CE1-CE1 3.84Å; F46-F67 AromaticContact CE1-CZ 3.81Å; F46-F67 HydrophobicContact CE1-CZ 3.81Å; F46-Q72 WeakPolarHBondContact CE1-O 3.32Å; F46-Q72 WeakPolarHBondContact CZ-O 3.32Å; F46-E75 HydrophobicContact CB-CG 4.47Å; F46-E75 HydrophobicContact CD2-CG 4.32Å
47	D	64.3	Low	63.9	Low	140 Å²	140	89.6 Å²	89.6	75%	0.749	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	132.9	169.9	-95.2	-47.9	0	0	0	110.4	C45	C45-D47 PolarHBondContact O-N 3.43Å; C45-D47 VanDerWaalsContact O-N 3.12Å
48	P	75.1	Confident	66.5	Low	68 Å²	68	84.5 Å²	84.5	44%	0.442	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	cis	-98.5	19.7	14.8	39.4	-38.5	0	0	0	115	K65	P48-K65 HydrophobicContact CB-CD 4.37Å; P48-K65 HydrophobicContact CG-CB 4.23Å; P48-K65 HydrophobicContact CG-CD 4.12Å; P48-K65 HydrophobicContact CG-CG 4.3Å; P48-K65 WeakPolarHBondContact O-CD 3.45Å; P48-K65 WeakPolarHBondContact O-CE 3.36Å; P48-K65 PolarHBondContact O-NZ 3.42Å
49	C	84.7	Confident	68.7	Low	6 Å²	6	80 Å²	80	4%	0.041	42%	0.418	C	S	.	.	S	Bend	trans	-72.7	161.4	171	-48.1	0	0	0	0	111.1	F46 H61 C62	F46-C49 WeakPolarHBondContact O-CA 3.34Å; F46-C49 WeakPolarHBondContact O-CB 3.26Å; F46-C49 PolarHBondContact O-N 3.11Å; F46-C49 PolarHBondContact O-SG 3.06Å; C49-H61 VanDerWaalsContact CA-O 3.28Å; C49-H61 WeakPolarHBondContact CA-O 3.31Å; C49-H61 VanDerWaalsContact CB-O 3.31Å; C49-H61 WeakPolarHBondContact CB-O 3.19Å; C49-C62 HydrophobicContact CB-CB 3.98Å; C49-C62 WeakPolarHBondContact CB-SG 3.48Å; C49-C62 WeakPolarHBondContact SG-CA 3.08Å; C49-C62 WeakPolarHBondContact SG-CB 3.45Å; C49-C62 CovalentContact SG-SG 2.03Å; C49-C62 PolarHBondContact SG-SG 2.86Å
50	Y	84.3	Confident	71	Confident	120 Å²	120	73.7 Å²	73.7	47%	0.471	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.8	168.8	74.4	-92.1	0	0	0	110.8	H61	Y50-H61 HydrophobicContact CD1-CB 3.72Å; Y50-H61 HydrophobicContact CD2-CB 4.03Å; Y50-H61 AromaticContact CD2-CD2 3.89Å; Y50-H61 HydrophobicContact CE1-CB 3.33Å; Y50-H61 HydrophobicContact CE2-CB 3.66Å; Y50-H61 AromaticContact CE2-CD2 3.26Å; Y50-H61 WeakPolarHBondContact CE2-CD2 3.32Å; Y50-H61 AromaticContact CE2-CG 3.55Å; Y50-H61 AromaticContact CE2-NE2 3.99Å; Y50-H61 HydrophobicContact CG-CB 4.05Å; Y50-H61 AromaticContact CZ-CD2 3.64Å; Y50-H61 AromaticContact CZ-CG 3.41Å; Y50-H61 VanDerWaalsContact CZ-CG 3.41Å; Y50-H61 PolarHBondContact N-O 2.64Å; Y50-H61 WeakPolarHBondContact O-CA 3.45Å; Y50-H61 WeakPolarHBondContact O-CB 3.43Å; Y50-H61 PolarHBondContact O-N 2.98Å
51	C	85.6	Confident	73	Confident	34 Å²	34	66.1 Å²	66.1	23%	0.23	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.1	-173.8	-53.9	0	0	0	0	110.7	C45 F58 H59	C45-C51 VanDerWaalsContact CA-SG 3.5Å; C45-C51 HydrophobicContact CB-CB 3.72Å; C45-C51 WeakPolarHBondContact CB-SG 3.48Å; C45-C51 WeakPolarHBondContact SG-CB 3.23Å; C45-C51 PolarHBondContact SG-N 3.45Å; C45-C51 CovalentContact SG-SG 2.04Å; C45-C51 PolarHBondContact SG-SG 3.37Å; C51-F58 HydrophobicContact CB-CE1 4.14Å; C51-F58 HydrophobicContact CB-CE2 3.62Å; C51-F58 HydrophobicContact CB-CZ 3.4Å; C51-F58 VanDerWaalsContact CB-CZ 3.4Å; C51-H59 CarbonylContact C-O 3.08Å; C51-H59 VanDerWaalsContact CA-O 3.29Å; C51-H59 WeakPolarHBondContact CA-O 3.28Å
52	E	83.2	Confident	75.1	Confident	49 Å²	49	61.9 Å²	61.9	23%	0.229	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.8	176.7	66.6	-177.2	-177.2	0	0	110.3	K54 H59 H61	E52-K54 HydrophobicContact CG-CD 4.34Å; E52-K54 HydrophobicContact CG-CG 4.48Å; E52-K54 WeakPolarHBondContact OE1-CE 3.31Å; E52-K54 IonicContact OE1-NZ 3.71Å; E52-K54 PolarHBondContact OE1-NZ 3.26Å; E52-K54 WeakPolarHBondContact OE2-CE 3.49Å; E52-K54 IonicContact OE2-NZ 3.23Å; E52-K54 PolarHBondContact OE2-NZ 3.01Å; E52-H59 HydrophobicContact CG-CB 3.49Å; E52-H59 VanDerWaalsContact CG-CB 3.49Å; E52-H59 PolarHBondContact N-O 3.2Å; E52-H59 WeakPolarHBondContact O-CB 3.33Å; E52-H59 PolarHBondContact O-N 3.09Å; E52-H59 IonicContact OE1-CG 3.26Å; E52-H59 IonicContact OE1-ND1 2.68Å; E52-H59 PolarHBondContact OE1-ND1 3.34Å; E52-H61 IonicContact OE1-CD2 3.88Å; E52-H61 IonicContact OE1-CE1 2.66Å; E52-H61 IonicContact OE1-NE2 3.96Å; E52-H61 PolarHBondContact OE1-NE2 3.38Å
53	V	80.5	Confident	76.9	Confident	96 Å²	96	55.6 Å²	55.6	58%	0.582	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.4	170.6	-179.2	0	0	0	0	108.4	F58	V53-F58 HydrophobicContact CG2-CD2 3.91Å; V53-F58 HydrophobicContact CG2-CE2 4.28Å
54	K	74	Confident	78	Confident	98 Å²	98	57.9 Å²	57.9	43%	0.426	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.7	174.5	-76.1	177.7	177.8	158.8	0	109.6	E52 S56 L57	E52-K54 HydrophobicContact CG-CD 4.34Å; E52-K54 HydrophobicContact CG-CG 4.48Å; E52-K54 WeakPolarHBondContact OE1-CE 3.31Å; E52-K54 IonicContact OE1-NZ 3.71Å; E52-K54 PolarHBondContact OE1-NZ 3.26Å; E52-K54 WeakPolarHBondContact OE2-CE 3.49Å; E52-K54 IonicContact OE2-NZ 3.23Å; E52-K54 PolarHBondContact OE2-NZ 3.01Å; K54-S56 VanDerWaalsContact C-N 3.27Å; K54-S56 PolarHBondContact O-N 3.18Å; K54-L57 PolarHBondContact N-O 3.39Å; K54-L57 WeakPolarHBondContact O-CA 3.35Å; K54-L57 WeakPolarHBondContact O-CB 3.49Å; K54-L57 PolarHBondContact O-N 3.23Å
55	E	62.3	Low	79.3	Confident	143 Å²	143	58.6 Å²	58.6	67%	0.668	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	40.5	172.3	-57.3	174	153.6	0	0	113.2	L57 T965	E55-L57 PolarHBondContact O-N 3.35Å; E55-T965 WeakPolarHBondContact OE1-CG2 3.33Å
56	S	67.8	Low	80.1	Confident	113 Å²	113	58.4 Å²	58.4	79%	0.79	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	14.6	-174.4	-54.3	0	0	0	0	115.5	K54	K54-S56 VanDerWaalsContact C-N 3.27Å; K54-S56 PolarHBondContact O-N 3.18Å
57	L	72.9	Confident	80.9	Confident	34 Å²	34	56.4 Å²	56.4	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.2	174.2	-155	78.7	0	0	0	109.7	K54 E55 P80 K82 V105	K54-L57 PolarHBondContact N-O 3.39Å; K54-L57 WeakPolarHBondContact O-CA 3.35Å; K54-L57 WeakPolarHBondContact O-CB 3.49Å; K54-L57 PolarHBondContact O-N 3.23Å; E55-L57 PolarHBondContact O-N 3.35Å; L57-P80 HydrophobicContact CD1-CB 3.82Å; L57-P80 VanDerWaalsContact CD1-O 3.24Å; L57-P80 WeakPolarHBondContact CD1-O 3.4Å; L57-P80 WeakPolarHBondContact CG-O 3.28Å; L57-K82 HydrophobicContact CD2-CD 4Å; L57-K82 HydrophobicContact CD2-CG 3.57Å; L57-K82 VanDerWaalsContact CD2-NZ 3.26Å; L57-V105 HydrophobicContact CD1-CG2 4.28Å
58	F	85.4	Confident	82	Confident	20 Å²	20	53.6 Å²	53.6	9%	0.088	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.3	177	-162.4	-134.5	0	0	0	109.9	C51 V53 I60 W77 P80 F81 K82	C51-F58 HydrophobicContact CB-CE1 4.14Å; C51-F58 HydrophobicContact CB-CE2 3.62Å; C51-F58 HydrophobicContact CB-CZ 3.4Å; C51-F58 VanDerWaalsContact CB-CZ 3.4Å; V53-F58 HydrophobicContact CG2-CD2 3.91Å; V53-F58 HydrophobicContact CG2-CE2 4.28Å; F58-I60 HydrophobicContact CD1-CD1 3.81Å; F58-I60 HydrophobicContact CD1-CG1 3.61Å; F58-I60 HydrophobicContact CE1-CD1 3.99Å; F58-I60 HydrophobicContact CE1-CG1 3.76Å; F58-I60 HydrophobicContact CG-CG1 4.44Å; F58-W77 HydrophobicContact CD1-CG 4.39Å; F58-W77 AromaticContact CE1-CD1 3.68Å; F58-W77 HydrophobicContact CE1-CG 4.33Å; F58-W77 AromaticContact CE1-NE1 3.8Å; F58-P80 PolarHBondContact N-O 2.92Å; F58-P80 VanDerWaalsContact N-O 3.13Å; F58-F81 HydrophobicContact CB-CB 3.91Å; F58-F81 HydrophobicContact CD1-CB 4.41Å; F58-F81 CarbonylContact O-C 3.33Å; F58-F81 WeakPolarHBondContact O-CA 3.49Å; F58-F81 WeakPolarHBondContact O-CB 3.47Å; F58-K82 PolarHBondContact O-N 3Å
59	H	83.8	Confident	82.5	Confident	17 Å²	17	52.2 Å²	52.2	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	116	-179.3	-83.3	-151.7	0	0	0	108.4	C51 E52 K82 Y84	C51-H59 CarbonylContact C-O 3.08Å; C51-H59 VanDerWaalsContact CA-O 3.29Å; C51-H59 WeakPolarHBondContact CA-O 3.28Å; E52-H59 HydrophobicContact CG-CB 3.49Å; E52-H59 VanDerWaalsContact CG-CB 3.49Å; E52-H59 PolarHBondContact N-O 3.2Å; E52-H59 WeakPolarHBondContact O-CB 3.33Å; E52-H59 PolarHBondContact O-N 3.09Å; E52-H59 IonicContact OE1-CG 3.26Å; E52-H59 IonicContact OE1-ND1 2.68Å; E52-H59 PolarHBondContact OE1-ND1 3.34Å; H59-K82 WeakPolarHBondContact CA-O 3.49Å; H59-K82 PolarHBondContact NE2-NZ 2.03Å; H59-Y84 HydrophobicContact CB-CE2 4.3Å; H59-Y84 AromaticContact ND1-CE2 4Å
60	I	87.5	Confident	82.5	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.8	-172.2	-52.9	170.9	0	0	0	108.4	F58 W77 F81 K82 L83 Y84	F58-I60 HydrophobicContact CD1-CD1 3.81Å; F58-I60 HydrophobicContact CD1-CG1 3.61Å; F58-I60 HydrophobicContact CE1-CD1 3.99Å; F58-I60 HydrophobicContact CE1-CG1 3.76Å; F58-I60 HydrophobicContact CG-CG1 4.44Å; I60-W77 HydrophobicContact CD1-CD2 3.47Å; I60-W77 VanDerWaalsContact CD1-CD2 3.47Å; I60-W77 HydrophobicContact CD1-CE3 3.5Å; I60-W77 HydrophobicContact CD1-CG 4.13Å; I60-W77 HydrophobicContact CD1-CH2 3.76Å; I60-W77 HydrophobicContact CD1-CZ2 3.74Å; I60-W77 HydrophobicContact CD1-CZ3 3.65Å; I60-W77 HydrophobicContact CG2-CH2 4.49Å; I60-F81 HydrophobicContact CD1-CB 4.23Å; I60-F81 HydrophobicContact CD1-CD2 3.71Å; I60-F81 HydrophobicContact CD1-CE2 4.23Å; I60-F81 HydrophobicContact CD1-CG 4.04Å; I60-K82 PolarHBondContact N-O 3.4Å; I60-L83 HydrophobicContact CB-CD1 3.88Å; I60-L83 HydrophobicContact CG2-CD1 3.71Å; I60-Y84 WeakPolarHBondContact O-CD2 3.24Å; I60-Y84 PolarHBondContact O-N 3.47Å
61	H	87.2	Confident	82.3	Confident	19 Å²	19	49.4 Å²	49.4	9%	0.088	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	97.1	-174.7	-62	-89	0	0	0	110.6	C49 Y50 E52 Y84	C49-H61 VanDerWaalsContact CA-O 3.28Å; C49-H61 WeakPolarHBondContact CA-O 3.31Å; C49-H61 VanDerWaalsContact CB-O 3.31Å; C49-H61 WeakPolarHBondContact CB-O 3.19Å; Y50-H61 HydrophobicContact CD1-CB 3.72Å; Y50-H61 HydrophobicContact CD2-CB 4.03Å; Y50-H61 AromaticContact CD2-CD2 3.89Å; Y50-H61 HydrophobicContact CE1-CB 3.33Å; Y50-H61 HydrophobicContact CE2-CB 3.66Å; Y50-H61 AromaticContact CE2-CD2 3.26Å; Y50-H61 WeakPolarHBondContact CE2-CD2 3.32Å; Y50-H61 AromaticContact CE2-CG 3.55Å; Y50-H61 AromaticContact CE2-NE2 3.99Å; Y50-H61 HydrophobicContact CG-CB 4.05Å; Y50-H61 AromaticContact CZ-CD2 3.64Å; Y50-H61 AromaticContact CZ-CG 3.41Å; Y50-H61 VanDerWaalsContact CZ-CG 3.41Å; Y50-H61 PolarHBondContact N-O 2.64Å; Y50-H61 WeakPolarHBondContact O-CA 3.45Å; Y50-H61 WeakPolarHBondContact O-CB 3.43Å; Y50-H61 PolarHBondContact O-N 2.98Å; E52-H61 IonicContact OE1-CD2 3.88Å; E52-H61 IonicContact OE1-CE1 2.66Å; E52-H61 IonicContact OE1-NE2 3.96Å; E52-H61 PolarHBondContact OE1-NE2 3.38Å; H61-Y84 AromaticContact CE1-CD2 3.53Å; H61-Y84 AromaticContact CE1-CE2 3.61Å; H61-Y84 AromaticContact ND1-CD2 3.4Å; H61-Y84 WeakPolarHBondContact ND1-CD2 3Å; H61-Y84 AromaticContact ND1-CE2 3.98Å; H61-Y84 AromaticContact ND1-CG 3.85Å
62	C	88.1	Confident	82	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.292	C	S	.	.			trans	-111.2	27.1	-176.8	-73.8	0	0	0	0	111.8	C49 K65 F67 I73 L83 Y84 L85 N88	C49-C62 HydrophobicContact CB-CB 3.98Å; C49-C62 WeakPolarHBondContact CB-SG 3.48Å; C49-C62 WeakPolarHBondContact SG-CA 3.08Å; C49-C62 WeakPolarHBondContact SG-CB 3.45Å; C49-C62 CovalentContact SG-SG 2.03Å; C49-C62 PolarHBondContact SG-SG 2.86Å; C62-K65 WeakPolarHBondContact O-CG 3.32Å; C62-F67 HydrophobicContact CB-CD2 4.38Å; C62-F67 HydrophobicContact CB-CE2 3.82Å; C62-I73 HydrophobicContact CB-CD1 4.37Å; C62-L83 HydrophobicContact CB-CD1 4.45Å; C62-Y84 CarbonylContact C-O 3.55Å; C62-Y84 VanDerWaalsContact C-O 3.32Å; C62-Y84 VanDerWaalsContact CA-O 3.31Å; C62-Y84 WeakPolarHBondContact CA-O 3.38Å; C62-Y84 WeakPolarHBondContact CB-O 3.37Å; C62-Y84 PolarHBondContact N-O 2.78Å; C62-L85 HydrophobicContact CB-CD2 3.36Å; C62-L85 HydrophobicContact CB-CG 4.27Å; C62-N88 PolarHBondContact O-ND2 3.37Å
63	D	87	Confident	81.6	Confident	22 Å²	22	49.7 Å²	49.7	12%	0.118	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	150.5	-173.2	76.9	-66.9	0	0	0	113.8	K65 Y84 Q86 R87	D63-K65 VanDerWaalsContact O-CE 3.3Å; D63-K65 WeakPolarHBondContact O-CE 3.37Å; D63-K65 WeakPolarHBondContact O-CG 3.33Å; D63-K65 PolarHBondContact O-N 3.43Å; D63-K65 VanDerWaalsContact O-N 3.14Å; D63-Y84 PolarHBondContact N-O 3.21Å; D63-Q86 VanDerWaalsContact CA-O 3.23Å; D63-Q86 WeakPolarHBondContact CA-O 3.08Å; D63-Q86 VanDerWaalsContact CB-CD 3.44Å; D63-Q86 HydrophobicContact CB-CG 3.75Å; D63-Q86 VanDerWaalsContact CB-O 3.22Å; D63-Q86 WeakPolarHBondContact CB-O 3.31Å; D63-Q86 PolarHBondContact OD2-NE2 3.12Å; D63-R87 IonicContact OD2-CZ 3.62Å; D63-R87 IonicContact OD2-NH1 2.84Å; D63-R87 PolarHBondContact OD2-NH1 2.84Å; D63-R87 IonicContact OD2-NH2 3.32Å
64	S	85.4	Confident	80.7	Confident	66 Å²	66	49.5 Å²	49.5	46%	0.462	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	20.3	-176.5	-39.4	0	0	0	0	115	Q86 R87	S64-Q86 PolarHBondContact N-O 3.04Å; S64-R87 WeakPolarHBondContact CA-O 3.33Å; S64-R87 PolarHBondContact OG-NH1 3.02Å
65	K	86.8	Confident	80.4	Confident	83 Å²	83	47.8 Å²	47.8	36%	0.361	28%	0.275	S	S	.	.	S	Bend	trans	-90.7	-1.1	-176.5	-53.9	-57.5	172.4	159.1	0	114.2	P48 C62 D63 F67 N88	P48-K65 HydrophobicContact CB-CD 4.37Å; P48-K65 HydrophobicContact CG-CB 4.23Å; P48-K65 HydrophobicContact CG-CD 4.12Å; P48-K65 HydrophobicContact CG-CG 4.3Å; P48-K65 WeakPolarHBondContact O-CD 3.45Å; P48-K65 WeakPolarHBondContact O-CE 3.36Å; P48-K65 PolarHBondContact O-NZ 3.42Å; C62-K65 WeakPolarHBondContact O-CG 3.32Å; D63-K65 VanDerWaalsContact O-CE 3.3Å; D63-K65 WeakPolarHBondContact O-CE 3.37Å; D63-K65 WeakPolarHBondContact O-CG 3.33Å; D63-K65 PolarHBondContact O-N 3.43Å; D63-K65 VanDerWaalsContact O-N 3.14Å; K65-F67 HydrophobicContact CB-CD2 3.71Å; K65-F67 HydrophobicContact CB-CE2 3.45Å; K65-F67 VanDerWaalsContact CB-CE2 3.45Å; K65-F67 HydrophobicContact CB-CZ 4.16Å; K65-F67 HydrophobicContact CG-CD2 4.47Å; K65-F67 HydrophobicContact CG-CE2 3.9Å; K65-N88 PolarHBondContact N-OD1 2.8Å
66	G	85.6	Confident	80.7	Confident	43 Å²	43	46.8 Å²	46.8	44%	0.443	27%	0.269	S	S	.	.			trans	77.5	13.9	177.9	0	0	0	0	0	115.3	T68 N88	G66-T68 PolarHBondContact O-N 3.47Å; G66-N88 PolarHBondContact N-OD1 3Å
67	F	87.9	Confident	81.1	Confident	13 Å²	13	41.4 Å²	41.4	6%	0.057	23%	0.231	C	C	.	.			trans	-56.1	139	178.9	-67.4	-66.1	0	0	0	111.7	F46 C62 K65 Q72 I73 L85 N88 S89 M90	F46-F67 HydrophobicContact CD1-CZ 4.16Å; F46-F67 AromaticContact CE1-CE1 3.84Å; F46-F67 HydrophobicContact CE1-CE1 3.84Å; F46-F67 AromaticContact CE1-CZ 3.81Å; F46-F67 HydrophobicContact CE1-CZ 3.81Å; C62-F67 HydrophobicContact CB-CD2 4.38Å; C62-F67 HydrophobicContact CB-CE2 3.82Å; K65-F67 HydrophobicContact CB-CD2 3.71Å; K65-F67 HydrophobicContact CB-CE2 3.45Å; K65-F67 VanDerWaalsContact CB-CE2 3.45Å; K65-F67 HydrophobicContact CB-CZ 4.16Å; K65-F67 HydrophobicContact CG-CD2 4.47Å; K65-F67 HydrophobicContact CG-CE2 3.9Å; F67-Q72 HydrophobicContact CD1-CB 3.85Å; F67-Q72 HydrophobicContact CE1-CB 4.21Å; F67-I73 HydrophobicContact CD1-CD1 4.23Å; F67-I73 HydrophobicContact CD1-CG1 4.15Å; F67-I73 HydrophobicContact CD2-CD1 3.89Å; F67-I73 HydrophobicContact CE1-CD1 4.18Å; F67-I73 HydrophobicContact CE1-CG1 3.92Å; F67-I73 HydrophobicContact CE2-CD1 3.83Å; F67-I73 HydrophobicContact CE2-CG1 4.42Å; F67-I73 HydrophobicContact CG-CD1 4.09Å; F67-I73 HydrophobicContact CZ-CD1 3.98Å; F67-I73 HydrophobicContact CZ-CG1 4.07Å; F67-L85 HydrophobicContact CD2-CD2 4.22Å; F67-N88 HydrophobicContact CB-CB 4.18Å; F67-N88 PolarHBondContact N-OD1 3.31Å; F67-S89 CarbonylContact O-C 3.54Å; F67-S89 WeakPolarHBondContact O-CA 3.31Å; F67-S89 PolarHBondContact O-N 3.33Å; F67-M90 PolarHBondContact O-N 3.23Å
68	T	87.1	Confident	81.3	Confident	81 Å²	81	43 Å²	43	50%	0.497	25%	0.245	S	C	.	.			trans	-113.3	-22.1	-178.3	58.1	0	0	0	0	112.9	G66 Q72	G66-T68 PolarHBondContact O-N 3.47Å; T68-Q72 PolarHBondContact OG1-OE1 2.95Å; T68-Q72 VanDerWaalsContact OG1-OE1 3.07Å
69	N	85.4	Confident	81	Confident	39 Å²	39	46.8 Å²	46.8	21%	0.209	26%	0.259	C	S	.	.			trans	-148	139.4	175.6	-175.2	5.6	0	0	0	109.6	S71 Q72	N69-S71 PolarHBondContact ND2-OG 3.23Å; N69-S71 PolarHBondContact O-N 3.15Å; N69-S71 PolarHBondContact OD1-N 3.25Å; N69-S71 PolarHBondContact OD1-OG 3.04Å; N69-Q72 VanDerWaalsContact O-CB 3.28Å; N69-Q72 WeakPolarHBondContact O-CB 3.38Å; N69-Q72 VanDerWaalsContact O-CG 3.32Å; N69-Q72 WeakPolarHBondContact O-CG 3.13Å; N69-Q72 PolarHBondContact O-N 3.14Å; N69-Q72 PolarHBondContact O-OE1 3.1Å
70	I	85.5	Confident	81.1	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.2	-20.7	174.6	-172.9	69.6	0	0	0	113	Q72 I73 L83 L85 S97 F98 L101	I70-Q72 PolarHBondContact O-N 2.84Å; I70-I73 HydrophobicContact CD1-CB 4.4Å; I70-I73 HydrophobicContact CD1-CD1 4.37Å; I70-I73 PolarHBondContact O-N 3.46Å; I70-L83 HydrophobicContact CD1-CD2 4.47Å; I70-L85 HydrophobicContact CD1-CD1 3.61Å; I70-S97 VanDerWaalsContact CG2-OG 3.22Å; I70-S97 WeakPolarHBondContact CG2-OG 3.35Å; I70-F98 HydrophobicContact CB-CZ 4.37Å; I70-F98 HydrophobicContact CD1-CE1 3.97Å; I70-F98 HydrophobicContact CD1-CZ 4.37Å; I70-F98 HydrophobicContact CG1-CD1 4.22Å; I70-F98 HydrophobicContact CG1-CE1 3.87Å; I70-F98 HydrophobicContact CG1-CE2 4.49Å; I70-F98 HydrophobicContact CG1-CZ 4Å; I70-F98 HydrophobicContact CG2-CE2 4.18Å; I70-F98 HydrophobicContact CG2-CZ 4.35Å; I70-L101 HydrophobicContact CD1-CD1 4.04Å; I70-L101 HydrophobicContact CG1-CD1 4.19Å
71	S	79.8	Confident	81.1	Confident	66 Å²	66	48.6 Å²	48.6	46%	0.462	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64.6	-2.5	167.9	-48.7	0	0	0	0	114.6	N69 I73 T74	N69-S71 PolarHBondContact ND2-OG 3.23Å; N69-S71 PolarHBondContact O-N 3.15Å; N69-S71 PolarHBondContact OD1-N 3.25Å; N69-S71 PolarHBondContact OD1-OG 3.04Å; S71-I73 VanDerWaalsContact C-N 3.28Å; S71-T74 WeakPolarHBondContact O-CG2 3.46Å
72	Q	79.1	Confident	81.1	Confident	84 Å²	84	49.5 Å²	49.5	39%	0.393	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-85.9	-1.5	167.2	-59.5	179.2	-75.3	0	0	112.1	F46 F67 T68 N69 I70	F46-Q72 WeakPolarHBondContact CE1-O 3.32Å; F46-Q72 WeakPolarHBondContact CZ-O 3.32Å; F67-Q72 HydrophobicContact CD1-CB 3.85Å; F67-Q72 HydrophobicContact CE1-CB 4.21Å; T68-Q72 PolarHBondContact OG1-OE1 2.95Å; T68-Q72 VanDerWaalsContact OG1-OE1 3.07Å; N69-Q72 VanDerWaalsContact O-CB 3.28Å; N69-Q72 WeakPolarHBondContact O-CB 3.38Å; N69-Q72 VanDerWaalsContact O-CG 3.32Å; N69-Q72 WeakPolarHBondContact O-CG 3.13Å; N69-Q72 PolarHBondContact O-N 3.14Å; N69-Q72 PolarHBondContact O-OE1 3.1Å; I70-Q72 PolarHBondContact O-N 2.84Å
73	I	74.6	Confident	81.2	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	28%	0.276	C	S	.	.			trans	-129.9	69.9	-175.7	-51.2	-178.4	0	0	0	107.7	C62 F67 I70 S71 W77 L85	C62-I73 HydrophobicContact CB-CD1 4.37Å; F67-I73 HydrophobicContact CD1-CD1 4.23Å; F67-I73 HydrophobicContact CD1-CG1 4.15Å; F67-I73 HydrophobicContact CD2-CD1 3.89Å; F67-I73 HydrophobicContact CE1-CD1 4.18Å; F67-I73 HydrophobicContact CE1-CG1 3.92Å; F67-I73 HydrophobicContact CE2-CD1 3.83Å; F67-I73 HydrophobicContact CE2-CG1 4.42Å; F67-I73 HydrophobicContact CG-CD1 4.09Å; F67-I73 HydrophobicContact CZ-CD1 3.98Å; F67-I73 HydrophobicContact CZ-CG1 4.07Å; I70-I73 HydrophobicContact CD1-CB 4.4Å; I70-I73 HydrophobicContact CD1-CD1 4.37Å; I70-I73 PolarHBondContact O-N 3.46Å; S71-I73 VanDerWaalsContact C-N 3.28Å; I73-W77 HydrophobicContact CG2-CH2 3.81Å; I73-W77 HydrophobicContact CG2-CZ3 4.42Å; I73-L85 HydrophobicContact CD1-CD2 3.3Å
74	T	61.7	Low	81.3	Confident	92 Å²	92	51 Å²	51	56%	0.564	28%	0.28	S	S	*	.			trans	-104.7	70.2	-175.3	53	0	0	0	0	111	S71	S71-T74 WeakPolarHBondContact O-CG2 3.46Å
75	E	67.5	Low	81.6	Confident	62 Å²	62	47.8 Å²	47.8	29%	0.29	26%	0.258	S	S	.	.			trans	-118.8	157.2	173.8	-87.4	-63.2	170.6	0	0	111.1	F46 W77	F46-E75 HydrophobicContact CB-CG 4.47Å; F46-E75 HydrophobicContact CD2-CG 4.32Å; E75-W77 HydrophobicContact CB-CD2 4.28Å; E75-W77 HydrophobicContact CB-CH2 3.74Å; E75-W77 HydrophobicContact CB-CZ2 3.37Å; E75-W77 HydrophobicContact CB-CZ3 4.31Å; E75-W77 HydrophobicContact CG-CZ2 4.08Å
76	F	69.4	Low	81.6	Confident	122 Å²	122	44.5 Å²	44.5	54%	0.535	24%	0.244	S	C	.	.			trans	-116.9	101	178.5	-179.5	-96.9	0	0	0	111
77	W	75.9	Confident	81.7	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	23%	0.23	C	C	.	.			trans	-90.8	116.8	176.9	-59.9	-65.2	0	0	0	110.5	P44 F58 I60 I73 E75 R79 F81 L101 N103	P44-W77 PolarHBondContact O-NE1 3.35Å; F58-W77 HydrophobicContact CD1-CG 4.39Å; F58-W77 AromaticContact CE1-CD1 3.68Å; F58-W77 HydrophobicContact CE1-CG 4.33Å; F58-W77 AromaticContact CE1-NE1 3.8Å; I60-W77 HydrophobicContact CD1-CD2 3.47Å; I60-W77 VanDerWaalsContact CD1-CD2 3.47Å; I60-W77 HydrophobicContact CD1-CE3 3.5Å; I60-W77 HydrophobicContact CD1-CG 4.13Å; I60-W77 HydrophobicContact CD1-CH2 3.76Å; I60-W77 HydrophobicContact CD1-CZ2 3.74Å; I60-W77 HydrophobicContact CD1-CZ3 3.65Å; I60-W77 HydrophobicContact CG2-CH2 4.49Å; I73-W77 HydrophobicContact CG2-CH2 3.81Å; I73-W77 HydrophobicContact CG2-CZ3 4.42Å; E75-W77 HydrophobicContact CB-CD2 4.28Å; E75-W77 HydrophobicContact CB-CH2 3.74Å; E75-W77 HydrophobicContact CB-CZ2 3.37Å; E75-W77 HydrophobicContact CB-CZ3 4.31Å; E75-W77 HydrophobicContact CG-CZ2 4.08Å; W77-R79 VanDerWaalsContact C-N 3.32Å; W77-F81 HydrophobicContact CB-CD1 3.77Å; W77-F81 HydrophobicContact CB-CE1 3.92Å; W77-F81 HydrophobicContact CE3-CD1 4.39Å; W77-F81 HydrophobicContact CE3-CD2 4.43Å; W77-F81 AromaticContact CE3-CE1 3.91Å; W77-F81 HydrophobicContact CE3-CE1 3.91Å; W77-F81 AromaticContact CE3-CE2 3.95Å; W77-F81 HydrophobicContact CE3-CE2 3.95Å; W77-F81 AromaticContact CE3-CZ 3.67Å; W77-F81 HydrophobicContact CE3-CZ 3.67Å; W77-F81 HydrophobicContact CZ3-CE2 4.29Å; W77-F81 HydrophobicContact CZ3-CZ 4.27Å; W77-L101 HydrophobicContact CE3-CD2 3.96Å; W77-L101 HydrophobicContact CZ3-CD2 3.63Å; W77-N103 PolarHBondContact O-ND2 3.43Å
78	S	76.4	Confident	81.8	Confident	67 Å²	67	44.1 Å²	44.1	47%	0.469	23%	0.229	S	C	.	.	S	Bend	trans	-73.2	-25.7	179.4	73.3	0	0	0	0	112.5	E43 N103	E43-S78 WeakPolarHBondContact OE1-CA 3.18Å; E43-S78 VanDerWaalsContact OE1-CB 3.28Å; E43-S78 WeakPolarHBondContact OE1-CB 3.31Å; E43-S78 PolarHBondContact OE1-N 2.88Å; E43-S78 PolarHBondContact OE1-OG 2.87Å; S78-N103 PolarHBondContact O-ND2 3.07Å; S78-N103 VanDerWaalsContact O-ND2 3.12Å
79	R	79.7	Confident	82	Confident	99 Å²	99	43.3 Å²	43.3	37%	0.374	23%	0.227	S	C	.	.	S	Bend	trans	-89.7	148.7	180	-58.5	178.7	-172.3	-172.7	3.2	111.2	E43 W77 F81	E43-R79 PolarHBondContact OE1-N 2.74Å; E43-R79 WeakPolarHBondContact OE2-CB 3.22Å; E43-R79 VanDerWaalsContact OE2-CD 3.23Å; E43-R79 WeakPolarHBondContact OE2-CD 2.98Å; E43-R79 VanDerWaalsContact OE2-CG 3.27Å; E43-R79 WeakPolarHBondContact OE2-CG 3.28Å; E43-R79 IonicContact OE2-NE 3.05Å; W77-R79 VanDerWaalsContact C-N 3.32Å; R79-F81 WeakPolarHBondContact O-CD1 3.15Å; R79-F81 PolarHBondContact O-N 3.02Å
80	P	85	Confident	82.3	Confident	56 Å²	56	41.5 Å²	41.5	36%	0.364	22%	0.217	S	C	.	.			trans	-66	133.9	176	-18.7	32.2	0	0	0	112	L57 F58 N103 V105	L57-P80 HydrophobicContact CD1-CB 3.82Å; L57-P80 VanDerWaalsContact CD1-O 3.24Å; L57-P80 WeakPolarHBondContact CD1-O 3.4Å; L57-P80 WeakPolarHBondContact CG-O 3.28Å; F58-P80 PolarHBondContact N-O 2.92Å; F58-P80 VanDerWaalsContact N-O 3.13Å; P80-N103 WeakPolarHBondContact CA-O 3.41Å; P80-V105 HydrophobicContact CB-CG2 3.71Å
81	F	87.5	Confident	82.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.7	-168.4	66.9	-92.6	0	0	0	115.9	F58 I60 W77 R79 L83 L101 N103 A104 V105	F58-F81 HydrophobicContact CB-CB 3.91Å; F58-F81 HydrophobicContact CD1-CB 4.41Å; F58-F81 CarbonylContact O-C 3.33Å; F58-F81 WeakPolarHBondContact O-CA 3.49Å; F58-F81 WeakPolarHBondContact O-CB 3.47Å; I60-F81 HydrophobicContact CD1-CB 4.23Å; I60-F81 HydrophobicContact CD1-CD2 3.71Å; I60-F81 HydrophobicContact CD1-CE2 4.23Å; I60-F81 HydrophobicContact CD1-CG 4.04Å; W77-F81 HydrophobicContact CB-CD1 3.77Å; W77-F81 HydrophobicContact CB-CE1 3.92Å; W77-F81 HydrophobicContact CE3-CD1 4.39Å; W77-F81 HydrophobicContact CE3-CD2 4.43Å; W77-F81 AromaticContact CE3-CE1 3.91Å; W77-F81 HydrophobicContact CE3-CE1 3.91Å; W77-F81 AromaticContact CE3-CE2 3.95Å; W77-F81 HydrophobicContact CE3-CE2 3.95Å; W77-F81 AromaticContact CE3-CZ 3.67Å; W77-F81 HydrophobicContact CE3-CZ 3.67Å; W77-F81 HydrophobicContact CZ3-CE2 4.29Å; W77-F81 HydrophobicContact CZ3-CZ 4.27Å; R79-F81 WeakPolarHBondContact O-CD1 3.15Å; R79-F81 PolarHBondContact O-N 3.02Å; F81-L83 HydrophobicContact CD2-CB 4.07Å; F81-L83 HydrophobicContact CE2-CB 3.97Å; F81-L83 HydrophobicContact CE2-CD2 4.31Å; F81-L101 HydrophobicContact CZ-CB 3.97Å; F81-L101 HydrophobicContact CZ-CD2 4.03Å; F81-N103 HydrophobicContact CD1-CB 4.05Å; F81-N103 HydrophobicContact CE1-CB 3.95Å; F81-N103 PolarHBondContact N-O 3.4Å; F81-N103 VanDerWaalsContact N-O 3.08Å; F81-A104 HydrophobicContact CD2-CB 4.22Å; F81-A104 HydrophobicContact CE1-CB 4.23Å; F81-A104 HydrophobicContact CE2-CB 3.59Å; F81-A104 HydrophobicContact CZ-CB 3.6Å; F81-V105 PolarHBondContact O-N 3.1Å
82	K	88	Confident	83.1	Confident	37 Å²	37	50 Å²	50	16%	0.161	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.6	165	-52.3	-164.8	-176.3	104	0	109.1	L57 F58 H59 I60 Y84 S106	L57-K82 HydrophobicContact CD2-CD 4Å; L57-K82 HydrophobicContact CD2-CG 3.57Å; L57-K82 VanDerWaalsContact CD2-NZ 3.26Å; F58-K82 PolarHBondContact O-N 3Å; H59-K82 WeakPolarHBondContact CA-O 3.49Å; H59-K82 PolarHBondContact NE2-NZ 2.03Å; I60-K82 PolarHBondContact N-O 3.4Å; K82-Y84 HydrophobicContact CB-CE2 3.89Å; K82-S106 CarbonylContact C-O 3.1Å; K82-S106 WeakPolarHBondContact CA-O 3.42Å
83	L	89.8	Confident	83.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.1	-178.1	176.1	59.7	0	0	0	110.5	I60 C62 I70 F81 L85 L101 S106 I107 N108	I60-L83 HydrophobicContact CB-CD1 3.88Å; I60-L83 HydrophobicContact CG2-CD1 3.71Å; C62-L83 HydrophobicContact CB-CD1 4.45Å; I70-L83 HydrophobicContact CD1-CD2 4.47Å; F81-L83 HydrophobicContact CD2-CB 4.07Å; F81-L83 HydrophobicContact CE2-CB 3.97Å; F81-L83 HydrophobicContact CE2-CD2 4.31Å; L83-L85 HydrophobicContact CD1-CD1 4.3Å; L83-L85 HydrophobicContact CD1-CD2 4.41Å; L83-L85 HydrophobicContact CD1-CG 4.09Å; L83-L85 HydrophobicContact CD2-CD1 3.76Å; L83-L85 HydrophobicContact CD2-CG 4.44Å; L83-L85 HydrophobicContact CG-CD1 3.79Å; L83-L85 HydrophobicContact CG-CG 3.95Å; L83-L101 HydrophobicContact CD2-CD1 3.98Å; L83-S106 PolarHBondContact N-O 3.35Å; L83-I107 HydrophobicContact CB-CG1 4.31Å; L83-I107 WeakPolarHBondContact O-CA 3Å; L83-N108 PolarHBondContact O-N 3.09Å
84	Y	89.9	Confident	84.5	Confident	52 Å²	52	51 Å²	51	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.7	-176.2	-60.4	-82.4	0	0	0	109.6	H59 I60 H61 C62 D63 K82 N108	H59-Y84 HydrophobicContact CB-CE2 4.3Å; H59-Y84 AromaticContact ND1-CE2 4Å; I60-Y84 WeakPolarHBondContact O-CD2 3.24Å; I60-Y84 PolarHBondContact O-N 3.47Å; H61-Y84 AromaticContact CE1-CD2 3.53Å; H61-Y84 AromaticContact CE1-CE2 3.61Å; H61-Y84 AromaticContact ND1-CD2 3.4Å; H61-Y84 WeakPolarHBondContact ND1-CD2 3Å; H61-Y84 AromaticContact ND1-CE2 3.98Å; H61-Y84 AromaticContact ND1-CG 3.85Å; C62-Y84 CarbonylContact C-O 3.55Å; C62-Y84 VanDerWaalsContact C-O 3.32Å; C62-Y84 VanDerWaalsContact CA-O 3.31Å; C62-Y84 WeakPolarHBondContact CA-O 3.38Å; C62-Y84 WeakPolarHBondContact CB-O 3.37Å; C62-Y84 PolarHBondContact N-O 2.78Å; D63-Y84 PolarHBondContact N-O 3.21Å; K82-Y84 HydrophobicContact CB-CE2 3.89Å; Y84-N108 HydrophobicContact CD1-CB 4.22Å
85	L	90.2	Very high	85.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.234	C	C	.	.			trans	-124.5	22.6	-174.3	-70.4	164.5	0	0	0	112.7	C62 F67 I70 I73 L83 N88 M90 N108 L109 N112	C62-L85 HydrophobicContact CB-CD2 3.36Å; C62-L85 HydrophobicContact CB-CG 4.27Å; F67-L85 HydrophobicContact CD2-CD2 4.22Å; I70-L85 HydrophobicContact CD1-CD1 3.61Å; I73-L85 HydrophobicContact CD1-CD2 3.3Å; L83-L85 HydrophobicContact CD1-CD1 4.3Å; L83-L85 HydrophobicContact CD1-CD2 4.41Å; L83-L85 HydrophobicContact CD1-CG 4.09Å; L83-L85 HydrophobicContact CD2-CD1 3.76Å; L83-L85 HydrophobicContact CD2-CG 4.44Å; L83-L85 HydrophobicContact CG-CD1 3.79Å; L83-L85 HydrophobicContact CG-CG 3.95Å; L85-N88 VanDerWaalsContact C-ND2 3.31Å; L85-N88 PolarHBondContact O-ND2 3.13Å; L85-M90 HydrophobicContact CB-CE 3.86Å; L85-M90 HydrophobicContact CD1-CE 4.35Å; L85-N108 CarbonylContact C-O 3.54Å; L85-N108 WeakPolarHBondContact CA-O 3.41Å; L85-N108 VanDerWaalsContact CB-O 3.32Å; L85-N108 WeakPolarHBondContact CB-O 3.45Å; L85-N108 PolarHBondContact N-O 2.88Å; L85-L109 HydrophobicContact CB-CD2 4.05Å; L85-L109 HydrophobicContact CD1-CD2 3.86Å; L85-N112 PolarHBondContact O-ND2 3.24Å
86	Q	87.8	Confident	86.7	Confident	14 Å²	14	50.2 Å²	50.2	7%	0.065	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	157.2	178.5	65.4	-78.3	-9.9	0	0	113.6	D63 S64 N88 N108 G110 V584	D63-Q86 VanDerWaalsContact CA-O 3.23Å; D63-Q86 WeakPolarHBondContact CA-O 3.08Å; D63-Q86 VanDerWaalsContact CB-CD 3.44Å; D63-Q86 HydrophobicContact CB-CG 3.75Å; D63-Q86 VanDerWaalsContact CB-O 3.22Å; D63-Q86 WeakPolarHBondContact CB-O 3.31Å; D63-Q86 PolarHBondContact OD2-NE2 3.12Å; S64-Q86 PolarHBondContact N-O 3.04Å; Q86-N88 VanDerWaalsContact C-N 3.27Å; Q86-N88 PolarHBondContact O-N 3.11Å; Q86-N88 PolarHBondContact O-ND2 2.89Å; Q86-N108 PolarHBondContact OE1-ND2 3.49Å; Q86-G110 WeakPolarHBondContact CA-O 3.32Å; Q86-G110 VanDerWaalsContact CB-O 3.27Å; Q86-G110 WeakPolarHBondContact CB-O 3.25Å; Q86-V584 HydrophobicContact CB-CG2 3.83Å; Q86-V584 HydrophobicContact CG-CG2 3.88Å
87	R	86.6	Confident	87.5	Confident	40 Å²	40	45.1 Å²	45.1	15%	0.151	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	38.8	-178.2	-88.6	169.6	-83.4	108.2	6.1	114.3	D63 S64 N111 S582 S583 V584	D63-R87 IonicContact OD2-CZ 3.62Å; D63-R87 IonicContact OD2-NH1 2.84Å; D63-R87 PolarHBondContact OD2-NH1 2.84Å; D63-R87 IonicContact OD2-NH2 3.32Å; S64-R87 WeakPolarHBondContact CA-O 3.33Å; S64-R87 PolarHBondContact OG-NH1 3.02Å; R87-N111 WeakPolarHBondContact CA-O 3.39Å; R87-N111 HydrophobicContact CG-CB 4.28Å; R87-N111 WeakPolarHBondContact CG-OD1 3.48Å; R87-N111 PolarHBondContact N-O 3.04Å; R87-S582 PolarHBondContact NH2-OG 3.05Å; R87-S583 WeakPolarHBondContact CD-OG 2.95Å; R87-S583 PolarHBondContact NE-O 3.2Å; R87-S583 PolarHBondContact NE-OG 3.04Å; R87-V584 VanDerWaalsContact NE-N 3.12Å
88	N	90.4	Very high	88	Confident	8 Å²	8	45 Å²	45	4%	0.043	22%	0.218	C	C	.	.			trans	-105.3	167.9	170.6	-77.3	-62.2	0	0	0	110.6	C62 K65 G66 F67 L85 Q86 M90 N112	C62-N88 PolarHBondContact O-ND2 3.37Å; K65-N88 PolarHBondContact N-OD1 2.8Å; G66-N88 PolarHBondContact N-OD1 3Å; F67-N88 HydrophobicContact CB-CB 4.18Å; F67-N88 PolarHBondContact N-OD1 3.31Å; L85-N88 VanDerWaalsContact C-ND2 3.31Å; L85-N88 PolarHBondContact O-ND2 3.13Å; Q86-N88 VanDerWaalsContact C-N 3.27Å; Q86-N88 PolarHBondContact O-N 3.11Å; Q86-N88 PolarHBondContact O-ND2 2.89Å; N88-M90 VanDerWaalsContact C-N 3.32Å; N88-M90 HydrophobicContact CB-CE 4.12Å; N88-M90 PolarHBondContact O-N 3.08Å; N88-N112 WeakPolarHBondContact CA-OD1 3.28Å; N88-N112 VanDerWaalsContact CB-OD1 3.28Å; N88-N112 WeakPolarHBondContact CB-OD1 2.85Å; N88-N112 PolarHBondContact O-OD1 3.45Å
89	S	91.3	Very high	88.5	Confident	64 Å²	64	46.3 Å²	46.3	45%	0.448	22%	0.219	S	C	.	.			trans	-94.2	24.4	-176.8	-76.7	0	0	0	0	113.1	F67 R91	F67-S89 CarbonylContact O-C 3.54Å; F67-S89 WeakPolarHBondContact O-CA 3.31Å; F67-S89 PolarHBondContact O-N 3.33Å; S89-R91 PolarHBondContact O-N 3.43Å
90	M	91.4	Very high	88.5	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	22%	0.224	C	C	.	.			trans	-67.9	126.1	179.4	-65	-175.3	-80.2	0	0	110.3	F67 L85 N88 L109 N112 A113 L114	F67-M90 PolarHBondContact O-N 3.23Å; L85-M90 HydrophobicContact CB-CE 3.86Å; L85-M90 HydrophobicContact CD1-CE 4.35Å; N88-M90 VanDerWaalsContact C-N 3.32Å; N88-M90 HydrophobicContact CB-CE 4.12Å; N88-M90 PolarHBondContact O-N 3.08Å; M90-L109 HydrophobicContact CE-CD2 3.48Å; M90-L109 VanDerWaalsContact CE-CD2 3.48Å; M90-L109 HydrophobicContact SD-CD2 4.33Å; M90-N112 WeakPolarHBondContact CB-OD1 3.1Å; M90-N112 VanDerWaalsContact CE-OD1 3.31Å; M90-N112 WeakPolarHBondContact CE-OD1 3.29Å; M90-N112 PolarHBondContact N-OD1 3.32Å; M90-A113 CarbonylContact O-C 3.24Å; M90-A113 WeakPolarHBondContact O-CA 3.27Å; M90-A113 PolarHBondContact O-N 3.29Å; M90-L114 HydrophobicContact CB-CD2 3.78Å; M90-L114 HydrophobicContact CB-CG 4.49Å; M90-L114 PolarHBondContact O-N 3.3Å; M90-L114 VanDerWaalsContact O-N 3.1Å
91	R	91	Very high	88.5	Confident	183 Å²	183	44.2 Å²	44.2	69%	0.691	21%	0.208	S	C	*	.			trans	-107.7	-23.9	-179.5	-64.6	-177.7	-173.6	-165.9	1.9	114.1	S89 A113 L114 Q115	S89-R91 PolarHBondContact O-N 3.43Å; R91-A113 WeakPolarHBondContact CA-O 3.22Å; R91-A113 HydrophobicContact CG-CB 3.83Å; R91-L114 WeakPolarHBondContact O-CA 3.38Å; R91-Q115 PolarHBondContact O-N 3.41Å
92	K	91.9	Very high	88.4	Confident	64 Å²	64	47 Å²	47	28%	0.278	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	138.3	-175	-178.9	158	-179.2	144.7	0	110.6	Y94 D116	K92-Y94 HydrophobicContact CD-CE1 4.17Å; K92-Y94 HydrophobicContact CG-CE1 4.26Å; K92-D116 WeakPolarHBondContact CA-O 3.43Å; K92-D116 HydrophobicContact CD-CB 4.42Å; K92-D116 VanDerWaalsContact CE-OD2 3.32Å; K92-D116 WeakPolarHBondContact CE-OD2 3.43Å; K92-D116 IonicContact NZ-OD2 3.3Å; K92-D116 PolarHBondContact NZ-OD2 3.45Å
93	L	92.5	Very high	88.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.9	168.8	-55.6	179.3	0	0	0	109	F98 L109 L114 D116 I117 Q118 A121 F122	L93-F98 HydrophobicContact CD1-CE2 4.04Å; L93-F98 HydrophobicContact CD1-CZ 4.34Å; L93-F98 HydrophobicContact CD2-CE2 4.07Å; L93-F98 HydrophobicContact CD2-CZ 4.17Å; L93-F98 HydrophobicContact CG-CE2 4.46Å; L93-L109 HydrophobicContact CD1-CD1 4.06Å; L93-L114 HydrophobicContact CD1-CD1 4.25Å; L93-L114 HydrophobicContact CD2-CD1 4.48Å; L93-L114 HydrophobicContact CD2-CD2 3.88Å; L93-L114 HydrophobicContact CG-CD1 4.33Å; L93-L114 HydrophobicContact CG-CD2 3.9Å; L93-D116 PolarHBondContact N-O 3.37Å; L93-I117 HydrophobicContact CB-CG2 4.36Å; L93-I117 HydrophobicContact CD1-CD1 4.34Å; L93-I117 HydrophobicContact CD1-CG1 4.14Å; L93-I117 HydrophobicContact CD1-CG2 4.41Å; L93-I117 HydrophobicContact CG-CG1 4.46Å; L93-Q118 WeakPolarHBondContact O-CB 3.27Å; L93-Q118 WeakPolarHBondContact O-CG 3.35Å; L93-Q118 PolarHBondContact O-N 2.85Å; L93-A121 HydrophobicContact CB-CB 3.94Å; L93-F122 HydrophobicContact CD1-CE1 3.8Å; L93-F122 HydrophobicContact CD1-CZ 3.81Å
94	Y	90.4	Very high	88.4	Confident	108 Å²	108	46.8 Å²	46.8	42%	0.424	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-98.8	157.7	-175.7	-63.5	-84.6	0	0	0	111.5	K92 N96 S97 A121	K92-Y94 HydrophobicContact CD-CE1 4.17Å; K92-Y94 HydrophobicContact CG-CE1 4.26Å; Y94-N96 PolarHBondContact O-N 3.11Å; Y94-S97 PolarHBondContact N-OG 3.01Å; Y94-S97 VanDerWaalsContact N-OG 3.12Å; Y94-S97 WeakPolarHBondContact O-CB 3.08Å; Y94-S97 PolarHBondContact O-N 3.26Å; Y94-S97 PolarHBondContact O-OG 2.83Å; Y94-S97 VanDerWaalsContact O-OG 3.11Å; Y94-A121 WeakPolarHBondContact O-CA 3.37Å; Y94-A121 VanDerWaalsContact O-CB 3.26Å; Y94-A121 WeakPolarHBondContact O-CB 3.03Å
95	T	89.3	Confident	88.4	Confident	64 Å²	64	45.7 Å²	45.7	39%	0.393	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	135.4	176.8	-61.1	0	0	0	0	111.2	S97 Q118 T119	T95-S97 PolarHBondContact O-N 2.85Å; T95-Q118 VanDerWaalsContact N-OE1 3.07Å; T95-T119 WeakPolarHBondContact CB-O 3.37Å; T95-T119 WeakPolarHBondContact CG2-O 3.13Å; T95-T119 PolarHBondContact OG1-O 2.74Å
96	N	87.3	Confident	88.6	Confident	72 Å²	72	46 Å²	46	39%	0.385	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	16.2	-175	-54.5	-24.9	0	0	0	115.4	Y94 F98 L99 G120 N123	Y94-N96 PolarHBondContact O-N 3.11Å; N96-F98 PolarHBondContact O-N 2.72Å; N96-L99 HydrophobicContact CB-CB 4.36Å; N96-L99 VanDerWaalsContact O-CB 3.31Å; N96-L99 WeakPolarHBondContact O-CB 3.37Å; N96-L99 PolarHBondContact O-N 3.37Å; N96-L99 VanDerWaalsContact O-N 3.09Å; N96-G120 PolarHBondContact N-O 2.83Å; N96-N123 VanDerWaalsContact OD1-CB 3.3Å; N96-N123 WeakPolarHBondContact OD1-CB 3.28Å; N96-N123 PolarHBondContact OD1-ND2 3.26Å
97	S	84.3	Confident	88.8	Confident	15 Å²	15	45.3 Å²	45.3	11%	0.105	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-30	177.1	-103	0	0	0	0	114.8	I70 Y94 T95 A121	I70-S97 VanDerWaalsContact CG2-OG 3.22Å; I70-S97 WeakPolarHBondContact CG2-OG 3.35Å; Y94-S97 PolarHBondContact N-OG 3.01Å; Y94-S97 VanDerWaalsContact N-OG 3.12Å; Y94-S97 WeakPolarHBondContact O-CB 3.08Å; Y94-S97 PolarHBondContact O-N 3.26Å; Y94-S97 PolarHBondContact O-OG 2.83Å; Y94-S97 VanDerWaalsContact O-OG 3.11Å; T95-S97 PolarHBondContact O-N 2.85Å; S97-A121 PolarHBondContact N-O 2.89Å
98	F	88.2	Confident	89.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	17.3	-174.7	-65.2	-101.5	0	0	0	113.3	I70 L93 N96 H100 L101 I107 L109 A121 F122 N123 L125	I70-F98 HydrophobicContact CB-CZ 4.37Å; I70-F98 HydrophobicContact CD1-CE1 3.97Å; I70-F98 HydrophobicContact CD1-CZ 4.37Å; I70-F98 HydrophobicContact CG1-CD1 4.22Å; I70-F98 HydrophobicContact CG1-CE1 3.87Å; I70-F98 HydrophobicContact CG1-CE2 4.49Å; I70-F98 HydrophobicContact CG1-CZ 4Å; I70-F98 HydrophobicContact CG2-CE2 4.18Å; I70-F98 HydrophobicContact CG2-CZ 4.35Å; L93-F98 HydrophobicContact CD1-CE2 4.04Å; L93-F98 HydrophobicContact CD1-CZ 4.34Å; L93-F98 HydrophobicContact CD2-CE2 4.07Å; L93-F98 HydrophobicContact CD2-CZ 4.17Å; L93-F98 HydrophobicContact CG-CE2 4.46Å; N96-F98 PolarHBondContact O-N 2.72Å; F98-H100 VanDerWaalsContact C-N 3.28Å; F98-H100 PolarHBondContact O-N 3.1Å; F98-L101 HydrophobicContact CD1-CD1 3.77Å; F98-L101 HydrophobicContact CE1-CD1 4.43Å; F98-L101 WeakPolarHBondContact O-CB 3.27Å; F98-L101 PolarHBondContact O-N 3.05Å; F98-I107 HydrophobicContact CD1-CD1 3.83Å; F98-I107 HydrophobicContact CE1-CD1 4.05Å; F98-I107 HydrophobicContact CE1-CG2 4.33Å; F98-L109 HydrophobicContact CE1-CD1 4.41Å; F98-L109 HydrophobicContact CZ-CD1 3.89Å; F98-L109 HydrophobicContact CZ-CD2 4.42Å; F98-A121 WeakPolarHBondContact CD2-O 3.22Å; F98-A121 PolarHBondContact N-O 3.49Å; F98-F122 HydrophobicContact CD2-CD1 4.14Å; F98-F122 HydrophobicContact CE2-CD1 4.17Å; F98-F122 HydrophobicContact CE2-CE1 4.21Å; F98-F122 HydrophobicContact CZ-CE1 4.49Å; F98-N123 CarbonylContact C-O 3.33Å; F98-L125 HydrophobicContact CB-CD1 3.67Å; F98-L125 HydrophobicContact CB-CD2 3.88Å; F98-L125 HydrophobicContact CB-CG 3.65Å; F98-L125 HydrophobicContact CD1-CD1 3.87Å; F98-L125 HydrophobicContact CD1-CD2 4.36Å; F98-L125 HydrophobicContact CD2-CD1 4.5Å; F98-L125 HydrophobicContact CG-CD1 3.77Å; F98-L125 HydrophobicContact CG-CG 4.3Å
99	L	85.1	Confident	89.2	Confident	94 Å²	94	44 Å²	44	49%	0.492	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.4	-172.3	-174.7	64.2	0	0	0	114.1	N96 L101 N123	N96-L99 HydrophobicContact CB-CB 4.36Å; N96-L99 VanDerWaalsContact O-CB 3.31Å; N96-L99 WeakPolarHBondContact O-CB 3.37Å; N96-L99 PolarHBondContact O-N 3.37Å; N96-L99 VanDerWaalsContact O-N 3.09Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-N123 WeakPolarHBondContact CA-O 3.18Å; L99-N123 PolarHBondContact N-O 3.02Å
100	H	81	Confident	89.2	Confident	107 Å²	107	40.9 Å²	40.9	50%	0.495	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.1	179.6	-57.2	-78.3	0	0	0	113.3	F98 N102	F98-H100 VanDerWaalsContact C-N 3.28Å; F98-H100 PolarHBondContact O-N 3.1Å; H100-N102 VanDerWaalsContact C-N 3.29Å; H100-N102 PolarHBondContact O-N 2.87Å
101	L	84.4	Confident	89.1	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	21%	0.207	C	C	.	.			trans	-97.4	32.9	-170.4	-55	-174.9	0	0	0	111.9	I70 W77 F81 L83 F98 L99 N103 A104 L125	I70-L101 HydrophobicContact CD1-CD1 4.04Å; I70-L101 HydrophobicContact CG1-CD1 4.19Å; W77-L101 HydrophobicContact CE3-CD2 3.96Å; W77-L101 HydrophobicContact CZ3-CD2 3.63Å; F81-L101 HydrophobicContact CZ-CB 3.97Å; F81-L101 HydrophobicContact CZ-CD2 4.03Å; L83-L101 HydrophobicContact CD2-CD1 3.98Å; F98-L101 HydrophobicContact CD1-CD1 3.77Å; F98-L101 HydrophobicContact CE1-CD1 4.43Å; F98-L101 WeakPolarHBondContact O-CB 3.27Å; F98-L101 PolarHBondContact O-N 3.05Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L101-N103 PolarHBondContact O-N 2.98Å; L101-N103 VanDerWaalsContact O-N 3.11Å; L101-A104 VanDerWaalsContact O-CB 3.27Å; L101-A104 WeakPolarHBondContact O-CB 3.28Å; L101-A104 PolarHBondContact O-N 3.16Å; L101-L125 HydrophobicContact CB-CD2 4.01Å; L101-L125 VanDerWaalsContact O-CD2 3.28Å; L101-L125 WeakPolarHBondContact O-CD2 3.39Å
102	N	86.3	Confident	89	Confident	58 Å²	58	34.9 Å²	34.9	31%	0.31	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.6	-173.5	64.2	-17.1	0	0	0	114.8	H100	H100-N102 VanDerWaalsContact C-N 3.29Å; H100-N102 PolarHBondContact O-N 2.87Å
103	N	88.3	Confident	89	Confident	35 Å²	35	33.2 Å²	33.2	19%	0.187	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.8	-179.2	-70.9	-34.8	0	0	0	114.2	W77 S78 P80 F81 L101 V105	W77-N103 PolarHBondContact O-ND2 3.43Å; S78-N103 PolarHBondContact O-ND2 3.07Å; S78-N103 VanDerWaalsContact O-ND2 3.12Å; P80-N103 WeakPolarHBondContact CA-O 3.41Å; F81-N103 HydrophobicContact CD1-CB 4.05Å; F81-N103 HydrophobicContact CE1-CB 3.95Å; F81-N103 PolarHBondContact N-O 3.4Å; F81-N103 VanDerWaalsContact N-O 3.08Å; L101-N103 PolarHBondContact O-N 2.98Å; L101-N103 VanDerWaalsContact O-N 3.11Å; N103-V105 PolarHBondContact O-N 3.05Å
104	A	89.6	Confident	89.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.5	176.2	0	0	0	0	0	111.5	F81 L101 I107 L125 L128	F81-A104 HydrophobicContact CD2-CB 4.22Å; F81-A104 HydrophobicContact CE1-CB 4.23Å; F81-A104 HydrophobicContact CE2-CB 3.59Å; F81-A104 HydrophobicContact CZ-CB 3.6Å; L101-A104 VanDerWaalsContact O-CB 3.27Å; L101-A104 WeakPolarHBondContact O-CB 3.28Å; L101-A104 PolarHBondContact O-N 3.16Å; A104-I107 HydrophobicContact CB-CD1 3.78Å; A104-I107 HydrophobicContact CB-CG1 3.97Å; A104-L125 HydrophobicContact CB-CD2 3.94Å; A104-L128 HydrophobicContact CB-CD1 4.02Å; A104-L128 VanDerWaalsContact O-CA 3.3Å; A104-L128 WeakPolarHBondContact O-CA 3.09Å; A104-L128 WeakPolarHBondContact O-CD1 3.16Å; A104-L128 PolarHBondContact O-N 2.77Å
105	V	90	Very high	89.2	Confident	29 Å²	29	34.5 Å²	34.5	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-31.2	175.8	-176.7	0	0	0	0	111.3	L57 P80 F81 N103 I127 K129 R130	L57-V105 HydrophobicContact CD1-CG2 4.28Å; P80-V105 HydrophobicContact CB-CG2 3.71Å; F81-V105 PolarHBondContact O-N 3.1Å; N103-V105 PolarHBondContact O-N 3.05Å; V105-I127 HydrophobicContact CG2-CD1 4.31Å; V105-K129 HydrophobicContact CG1-CB 4.42Å; V105-K129 HydrophobicContact CG1-CD 4.04Å; V105-K129 HydrophobicContact CG1-CG 4.47Å; V105-K129 PolarHBondContact O-N 3.07Å; V105-R130 PolarHBondContact O-N 2.84Å
106	S	92.8	Very high	89.1	Confident	6 Å²	6	33.2 Å²	33.2	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	134.7	178.5	-176.3	0	0	0	0	110.7	K82 L83 R130	K82-S106 CarbonylContact C-O 3.1Å; K82-S106 WeakPolarHBondContact CA-O 3.42Å; L83-S106 PolarHBondContact N-O 3.35Å; S106-R130 WeakPolarHBondContact CA-O 3.22Å
107	I	93.1	Very high	89.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.1	176.4	-72.8	172.8	0	0	0	109.1	L83 F98 A104 L109 L125 L128 R130 L131 Y132	L83-I107 HydrophobicContact CB-CG1 4.31Å; L83-I107 WeakPolarHBondContact O-CA 3Å; F98-I107 HydrophobicContact CD1-CD1 3.83Å; F98-I107 HydrophobicContact CE1-CD1 4.05Å; F98-I107 HydrophobicContact CE1-CG2 4.33Å; A104-I107 HydrophobicContact CB-CD1 3.78Å; A104-I107 HydrophobicContact CB-CG1 3.97Å; I107-L109 HydrophobicContact CG2-CD1 3.84Å; I107-L109 HydrophobicContact CG2-CD2 4.43Å; I107-L109 HydrophobicContact CG2-CG 3.72Å; I107-L125 HydrophobicContact CD1-CD1 3.75Å; I107-L125 HydrophobicContact CD1-CD2 3.63Å; I107-L125 HydrophobicContact CD1-CG 4.37Å; I107-L128 HydrophobicContact CB-CD1 4.06Å; I107-L128 HydrophobicContact CD1-CD1 3.83Å; I107-L128 HydrophobicContact CG1-CD1 3.7Å; I107-R130 PolarHBondContact N-O 3.22Å; I107-L131 HydrophobicContact CB-CD1 4.4Å; I107-L131 HydrophobicContact CG2-CD1 4.21Å; I107-Y132 PolarHBondContact O-N 2.69Å; I107-Y132 VanDerWaalsContact O-N 3.07Å
108	N	92.6	Very high	89.8	Confident	19 Å²	19	32.3 Å²	32.3	10%	0.102	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.6	171.9	-172.2	3.2	0	0	0	111.2	L83 Y84 L85 Q86 G110 Y132	L83-N108 PolarHBondContact O-N 3.09Å; Y84-N108 HydrophobicContact CD1-CB 4.22Å; L85-N108 CarbonylContact C-O 3.54Å; L85-N108 WeakPolarHBondContact CA-O 3.41Å; L85-N108 VanDerWaalsContact CB-O 3.32Å; L85-N108 WeakPolarHBondContact CB-O 3.45Å; L85-N108 PolarHBondContact N-O 2.88Å; Q86-N108 PolarHBondContact OE1-ND2 3.49Å; N108-G110 PolarHBondContact OD1-N 2.9Å; N108-Y132 HydrophobicContact CB-CD2 4.13Å; N108-Y132 HydrophobicContact CB-CG 4.45Å; N108-Y132 VanDerWaalsContact OD1-CB 3.31Å; N108-Y132 WeakPolarHBondContact OD1-CB 3.23Å
109	L	93.6	Very high	89.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.			trans	-116.2	15.8	175.1	-65.8	162.8	0	0	0	111.2	L85 M90 L93 F98 I107 N112 L114 F122 L131 Y132 L133 N136	L85-L109 HydrophobicContact CB-CD2 4.05Å; L85-L109 HydrophobicContact CD1-CD2 3.86Å; M90-L109 HydrophobicContact CE-CD2 3.48Å; M90-L109 VanDerWaalsContact CE-CD2 3.48Å; M90-L109 HydrophobicContact SD-CD2 4.33Å; L93-L109 HydrophobicContact CD1-CD1 4.06Å; F98-L109 HydrophobicContact CE1-CD1 4.41Å; F98-L109 HydrophobicContact CZ-CD1 3.89Å; F98-L109 HydrophobicContact CZ-CD2 4.42Å; I107-L109 HydrophobicContact CG2-CD1 3.84Å; I107-L109 HydrophobicContact CG2-CD2 4.43Å; I107-L109 HydrophobicContact CG2-CG 3.72Å; L109-N112 PolarHBondContact O-ND2 3.35Å; L109-L114 HydrophobicContact CB-CD1 4.19Å; L109-F122 HydrophobicContact CD1-CE1 4.27Å; L109-L131 HydrophobicContact CD1-CD1 4.24Å; L109-Y132 CarbonylContact C-O 3.55Å; L109-Y132 WeakPolarHBondContact CA-O 3.35Å; L109-Y132 PolarHBondContact N-O 3.13Å; L109-L133 HydrophobicContact CB-CD2 4.01Å; L109-L133 HydrophobicContact CD1-CD2 4.16Å; L109-N136 PolarHBondContact O-ND2 3.05Å
110	G	90.7	Very high	89.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.			trans	-65.2	159.8	179.5	0	0	0	0	0	113.1	Q86 N108 N112 Y132 H134	Q86-G110 WeakPolarHBondContact CA-O 3.32Å; Q86-G110 VanDerWaalsContact CB-O 3.27Å; Q86-G110 WeakPolarHBondContact CB-O 3.25Å; N108-G110 PolarHBondContact OD1-N 2.9Å; G110-N112 PolarHBondContact O-N 3.07Å; G110-N112 PolarHBondContact O-ND2 3.41Å; G110-Y132 PolarHBondContact N-O 2.82Å; G110-H134 CarbonylContact C-O 3.11Å; G110-H134 WeakPolarHBondContact CA-O 3.3Å
111	N	89.1	Confident	90.4	Very high	47 Å²	47	26.5 Å²	26.5	25%	0.251	14%	0.144	S	C	.	.	S	Bend	trans	49.1	60.5	-177.3	-158.3	-57.9	0	0	0	111.4	R87 H134 E135 V584	R87-N111 WeakPolarHBondContact CA-O 3.39Å; R87-N111 HydrophobicContact CG-CB 4.28Å; R87-N111 WeakPolarHBondContact CG-OD1 3.48Å; R87-N111 PolarHBondContact N-O 3.04Å; N111-H134 PolarHBondContact N-O 3.38Å; N111-E135 VanDerWaalsContact CA-O 3.23Å; N111-E135 WeakPolarHBondContact CA-O 3.32Å; N111-E135 HydrophobicContact CB-CB 4.12Å; N111-E135 WeakPolarHBondContact CB-OE2 3.17Å; N111-E135 PolarHBondContact N-O 3.07Å; N111-E135 PolarHBondContact ND2-OE2 2.88Å; N111-V584 HydrophobicContact CB-CG2 3.51Å
112	N	88.3	Confident	90.8	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.059	14%	0.143	C	C	.	.	S	Bend	trans	-132.1	173.5	176	-90.1	-101.9	0	0	0	108.2	L85 N88 M90 L109 G110 L114 E135 N136	L85-N112 PolarHBondContact O-ND2 3.24Å; N88-N112 WeakPolarHBondContact CA-OD1 3.28Å; N88-N112 VanDerWaalsContact CB-OD1 3.28Å; N88-N112 WeakPolarHBondContact CB-OD1 2.85Å; N88-N112 PolarHBondContact O-OD1 3.45Å; M90-N112 WeakPolarHBondContact CB-OD1 3.1Å; M90-N112 VanDerWaalsContact CE-OD1 3.31Å; M90-N112 WeakPolarHBondContact CE-OD1 3.29Å; M90-N112 PolarHBondContact N-OD1 3.32Å; L109-N112 PolarHBondContact O-ND2 3.35Å; G110-N112 PolarHBondContact O-N 3.07Å; G110-N112 PolarHBondContact O-ND2 3.41Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 HydrophobicContact CB-CG 4.12Å; N112-L114 PolarHBondContact O-N 3.13Å; N112-E135 PolarHBondContact N-O 3.02Å; N112-N136 WeakPolarHBondContact CA-OD1 3.41Å; N112-N136 WeakPolarHBondContact CB-OD1 3.32Å; N112-N136 PolarHBondContact O-OD1 3.23Å
113	A	91.9	Very high	90.9	Very high	28 Å²	28	25.7 Å²	25.7	23%	0.231	14%	0.139	C	C	.	.			trans	-90.8	21.8	178.3	0	0	0	0	0	113.1	M90 R91 Q115	M90-A113 CarbonylContact O-C 3.24Å; M90-A113 WeakPolarHBondContact O-CA 3.27Å; M90-A113 PolarHBondContact O-N 3.29Å; R91-A113 WeakPolarHBondContact CA-O 3.22Å; R91-A113 HydrophobicContact CG-CB 3.83Å; A113-Q115 PolarHBondContact O-N 3.33Å
114	L	94.5	Very high	90.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.			trans	-65.4	119.7	-169.7	-63.3	172.4	0	0	0	111	M90 R91 L93 L109 N112 L133 N136 K137 L138	M90-L114 HydrophobicContact CB-CD2 3.78Å; M90-L114 HydrophobicContact CB-CG 4.49Å; M90-L114 PolarHBondContact O-N 3.3Å; M90-L114 VanDerWaalsContact O-N 3.1Å; R91-L114 WeakPolarHBondContact O-CA 3.38Å; L93-L114 HydrophobicContact CD1-CD1 4.25Å; L93-L114 HydrophobicContact CD2-CD1 4.48Å; L93-L114 HydrophobicContact CD2-CD2 3.88Å; L93-L114 HydrophobicContact CG-CD1 4.33Å; L93-L114 HydrophobicContact CG-CD2 3.9Å; L109-L114 HydrophobicContact CB-CD1 4.19Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 HydrophobicContact CB-CG 4.12Å; N112-L114 PolarHBondContact O-N 3.13Å; L114-L133 HydrophobicContact CD1-CD2 4.19Å; L114-N136 HydrophobicContact CB-CB 4.38Å; L114-N136 WeakPolarHBondContact CB-OD1 3.43Å; L114-N136 WeakPolarHBondContact CG-OD1 3.31Å; L114-N136 PolarHBondContact N-OD1 3.11Å; L114-K137 CarbonylContact O-C 3.42Å; L114-K137 VanDerWaalsContact O-CA 3.24Å; L114-K137 WeakPolarHBondContact O-CA 3.5Å; L114-K137 PolarHBondContact O-N 3.41Å; L114-L138 HydrophobicContact CB-CD2 4.09Å; L114-L138 WeakPolarHBondContact O-CD2 3.32Å; L114-L138 PolarHBondContact O-N 3.15Å
115	Q	92.3	Very high	90.8	Very high	136 Å²	136	25 Å²	25	64%	0.636	14%	0.14	S	C	*	.			trans	-109.8	-31.2	178.9	-170.5	179.5	12.7	0	0	112.5	R91 A113	R91-Q115 PolarHBondContact O-N 3.41Å; A113-Q115 PolarHBondContact O-N 3.33Å
116	D	88.9	Confident	90.6	Very high	37 Å²	37	30.2 Å²	30.2	20%	0.198	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.9	-175.6	-171.6	44.2	0	0	0	111.5	K92 L93 R142	K92-D116 WeakPolarHBondContact CA-O 3.43Å; K92-D116 HydrophobicContact CD-CB 4.42Å; K92-D116 VanDerWaalsContact CE-OD2 3.32Å; K92-D116 WeakPolarHBondContact CE-OD2 3.43Å; K92-D116 IonicContact NZ-OD2 3.3Å; K92-D116 PolarHBondContact NZ-OD2 3.45Å; L93-D116 PolarHBondContact N-O 3.37Å; D116-R142 IonicContact OD1-CZ 2.67Å; D116-R142 VanDerWaalsContact OD1-CZ 3.31Å; D116-R142 IonicContact OD1-NH1 2.89Å; D116-R142 PolarHBondContact OD1-NH1 3.03Å; D116-R142 IonicContact OD1-NH2 3.31Å; D116-R142 PolarHBondContact OD1-NH2 2.69Å
117	I	93.6	Very high	90.5	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117	176.7	-60.1	176.2	0	0	0	106.5	L93 A121 F122 L133 L138 R142 T145	L93-I117 HydrophobicContact CB-CG2 4.36Å; L93-I117 HydrophobicContact CD1-CD1 4.34Å; L93-I117 HydrophobicContact CD1-CG1 4.14Å; L93-I117 HydrophobicContact CD1-CG2 4.41Å; L93-I117 HydrophobicContact CG-CG1 4.46Å; I117-A121 HydrophobicContact CG2-CB 3.87Å; I117-F122 HydrophobicContact CD1-CE2 4.32Å; I117-F122 HydrophobicContact CD1-CZ 4.18Å; I117-F122 HydrophobicContact CG2-CE2 3.87Å; I117-F122 HydrophobicContact CG2-CZ 4.26Å; I117-L133 HydrophobicContact CD1-CD1 4.41Å; I117-L138 HydrophobicContact CD1-CD1 4.06Å; I117-L138 HydrophobicContact CD1-CD2 3.91Å; I117-L138 HydrophobicContact CG1-CD2 3.93Å; I117-R142 PolarHBondContact O-NH1 3.48Å; I117-T145 HydrophobicContact CB-CG2 4.29Å; I117-T145 HydrophobicContact CD1-CG2 4.32Å; I117-T145 HydrophobicContact CG2-CG2 4.25Å
118	Q	91.4	Very high	90.5	Very high	62 Å²	62	33.2 Å²	33.2	29%	0.29	18%	0.176	S	C	.	.			trans	-68.9	153.9	177.7	-70.2	-167.9	-42.2	0	0	111.9	L93 T95 G120 A121	L93-Q118 WeakPolarHBondContact O-CB 3.27Å; L93-Q118 WeakPolarHBondContact O-CG 3.35Å; L93-Q118 PolarHBondContact O-N 2.85Å; T95-Q118 VanDerWaalsContact N-OE1 3.07Å; Q118-G120 PolarHBondContact O-N 2.87Å; Q118-A121 VanDerWaalsContact O-CB 3.31Å; Q118-A121 WeakPolarHBondContact O-CB 3.23Å; Q118-A121 PolarHBondContact O-N 2.79Å
119	T	87.8	Confident	90.4	Very high	78 Å²	78	35.9 Å²	35.9	48%	0.479	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	127.9	176	49.6	0	0	0	0	110.3	T95 A121 D144	T95-T119 WeakPolarHBondContact CB-O 3.37Å; T95-T119 WeakPolarHBondContact CG2-O 3.13Å; T95-T119 PolarHBondContact OG1-O 2.74Å; T119-A121 VanDerWaalsContact C-N 3.3Å; T119-A121 PolarHBondContact O-N 3.05Å; T119-D144 HydrophobicContact CG2-CB 4Å
120	G	87.3	Confident	90.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	24.7	-176.8	0	0	0	0	0	115.1	N96 Q118 F122 N123	N96-G120 PolarHBondContact N-O 2.83Å; Q118-G120 PolarHBondContact O-N 2.87Å; G120-F122 VanDerWaalsContact C-N 3.28Å; G120-F122 PolarHBondContact O-N 3.24Å; G120-N123 VanDerWaalsContact O-CB 3.28Å; G120-N123 WeakPolarHBondContact O-CB 3.4Å; G120-N123 PolarHBondContact O-N 2.86Å; G120-N123 PolarHBondContact O-ND2 3.26Å
121	A	91.4	Very high	90.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-42.5	173.3	0	0	0	0	0	112.3	L93 Y94 S97 F98 I117 Q118 T119 N123	L93-A121 HydrophobicContact CB-CB 3.94Å; Y94-A121 WeakPolarHBondContact O-CA 3.37Å; Y94-A121 VanDerWaalsContact O-CB 3.26Å; Y94-A121 WeakPolarHBondContact O-CB 3.03Å; S97-A121 PolarHBondContact N-O 2.89Å; F98-A121 WeakPolarHBondContact CD2-O 3.22Å; F98-A121 PolarHBondContact N-O 3.49Å; I117-A121 HydrophobicContact CG2-CB 3.87Å; Q118-A121 VanDerWaalsContact O-CB 3.31Å; Q118-A121 WeakPolarHBondContact O-CB 3.23Å; Q118-A121 PolarHBondContact O-N 2.79Å; T119-A121 VanDerWaalsContact C-N 3.3Å; T119-A121 PolarHBondContact O-N 3.05Å; A121-N123 PolarHBondContact O-N 2.88Å
122	F	93.1	Very high	90.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	10.5	179.2	-57.7	-60.5	0	0	0	114.5	L93 F98 L109 I117 G120 G124 L125 L131 T145 F146 L149	L93-F122 HydrophobicContact CD1-CE1 3.8Å; L93-F122 HydrophobicContact CD1-CZ 3.81Å; F98-F122 HydrophobicContact CD2-CD1 4.14Å; F98-F122 HydrophobicContact CE2-CD1 4.17Å; F98-F122 HydrophobicContact CE2-CE1 4.21Å; F98-F122 HydrophobicContact CZ-CE1 4.49Å; L109-F122 HydrophobicContact CD1-CE1 4.27Å; I117-F122 HydrophobicContact CD1-CE2 4.32Å; I117-F122 HydrophobicContact CD1-CZ 4.18Å; I117-F122 HydrophobicContact CG2-CE2 3.87Å; I117-F122 HydrophobicContact CG2-CZ 4.26Å; G120-F122 VanDerWaalsContact C-N 3.28Å; G120-F122 PolarHBondContact O-N 3.24Å; F122-G124 PolarHBondContact O-N 2.93Å; F122-L125 HydrophobicContact CB-CD1 3.97Å; F122-L125 HydrophobicContact CD1-CD1 3.8Å; F122-L125 HydrophobicContact CG-CD1 4.34Å; F122-L125 WeakPolarHBondContact O-CB 3.22Å; F122-L125 PolarHBondContact O-N 2.93Å; F122-L131 HydrophobicContact CE1-CD1 4.36Å; F122-L131 HydrophobicContact CE1-CD2 4.2Å; F122-L131 HydrophobicContact CE2-CD2 4.27Å; F122-L131 HydrophobicContact CZ-CD2 3.94Å; F122-T145 VanDerWaalsContact CD2-O 3.27Å; F122-T145 WeakPolarHBondContact CD2-O 3.38Å; F122-T145 WeakPolarHBondContact CE2-O 3.44Å; F122-F146 HydrophobicContact CD2-CD1 4.47Å; F122-F146 HydrophobicContact CE2-CD1 4.1Å; F122-F146 HydrophobicContact CE2-CE1 4.45Å; F122-L149 HydrophobicContact CB-CD1 4.05Å; F122-L149 HydrophobicContact CB-CD2 3.87Å; F122-L149 HydrophobicContact CB-CG 3.76Å; F122-L149 HydrophobicContact CD2-CD1 3.79Å; F122-L149 HydrophobicContact CD2-CG 4.4Å; F122-L149 HydrophobicContact CE2-CD1 4.36Å; F122-L149 HydrophobicContact CG-CD1 3.88Å; F122-L149 HydrophobicContact CG-CD2 4.38Å; F122-L149 HydrophobicContact CG-CG 4.17Å
123	N	89.8	Confident	91	Very high	44 Å²	44	37.2 Å²	37.2	24%	0.235	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	131	173.6	-75.9	-14.6	0	0	0	110.7	N96 F98 L99 G120 A121	N96-N123 VanDerWaalsContact OD1-CB 3.3Å; N96-N123 WeakPolarHBondContact OD1-CB 3.28Å; N96-N123 PolarHBondContact OD1-ND2 3.26Å; F98-N123 CarbonylContact C-O 3.33Å; L99-N123 WeakPolarHBondContact CA-O 3.18Å; L99-N123 PolarHBondContact N-O 3.02Å; G120-N123 VanDerWaalsContact O-CB 3.28Å; G120-N123 WeakPolarHBondContact O-CB 3.4Å; G120-N123 PolarHBondContact O-N 2.86Å; G120-N123 PolarHBondContact O-ND2 3.26Å; A121-N123 PolarHBondContact O-N 2.88Å
124	G	83.8	Confident	91	Very high	20 Å²	20	36.6 Å²	36.6	21%	0.206	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.3	-33.6	-174.1	0	0	0	0	0	113.2	F122 K126	F122-G124 PolarHBondContact O-N 2.93Å; G124-K126 PolarHBondContact O-N 3.44Å
125	L	90.7	Very high	90.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.			trans	-77	42.7	-170.4	-62.5	179.1	0	0	0	115.1	F98 L101 A104 I107 F122 I127 L128 L149	F98-L125 HydrophobicContact CB-CD1 3.67Å; F98-L125 HydrophobicContact CB-CD2 3.88Å; F98-L125 HydrophobicContact CB-CG 3.65Å; F98-L125 HydrophobicContact CD1-CD1 3.87Å; F98-L125 HydrophobicContact CD1-CD2 4.36Å; F98-L125 HydrophobicContact CD2-CD1 4.5Å; F98-L125 HydrophobicContact CG-CD1 3.77Å; F98-L125 HydrophobicContact CG-CG 4.3Å; L101-L125 HydrophobicContact CB-CD2 4.01Å; L101-L125 VanDerWaalsContact O-CD2 3.28Å; L101-L125 WeakPolarHBondContact O-CD2 3.39Å; A104-L125 HydrophobicContact CB-CD2 3.94Å; I107-L125 HydrophobicContact CD1-CD1 3.75Å; I107-L125 HydrophobicContact CD1-CD2 3.63Å; I107-L125 HydrophobicContact CD1-CG 4.37Å; F122-L125 HydrophobicContact CB-CD1 3.97Å; F122-L125 HydrophobicContact CD1-CD1 3.8Å; F122-L125 HydrophobicContact CG-CD1 4.34Å; F122-L125 WeakPolarHBondContact O-CB 3.22Å; F122-L125 PolarHBondContact O-N 2.93Å; L125-I127 VanDerWaalsContact C-N 3.26Å; L125-I127 PolarHBondContact O-N 2.86Å; L125-I127 VanDerWaalsContact O-N 3.15Å; L125-L128 HydrophobicContact CB-CB 4.1Å; L125-L128 HydrophobicContact CD1-CD2 4.29Å; L125-L128 WeakPolarHBondContact O-CB 3.27Å; L125-L128 PolarHBondContact O-N 2.87Å; L125-L128 VanDerWaalsContact O-N 3.11Å; L125-L149 HydrophobicContact CB-CD2 3.67Å; L125-L149 HydrophobicContact CD1-CD2 4.08Å
126	K	86.3	Confident	90.9	Very high	139 Å²	139	32.1 Å²	32.1	60%	0.604	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.8	-169.4	-66.1	-173.4	176.8	-174.3	0	115	G124 S151	G124-K126 PolarHBondContact O-N 3.44Å; K126-S151 WeakPolarHBondContact O-CB 3.18Å; K126-S151 PolarHBondContact O-OG 3.45Å
127	I	90.1	Very high	91.1	Very high	70 Å²	70	36.6 Å²	36.6	36%	0.359	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	0.8	179.7	77.8	175.1	0	0	0	113.7	V105 L125 K129	V105-I127 HydrophobicContact CG2-CD1 4.31Å; L125-I127 VanDerWaalsContact C-N 3.26Å; L125-I127 PolarHBondContact O-N 2.86Å; L125-I127 VanDerWaalsContact O-N 3.15Å; I127-K129 PolarHBondContact O-N 2.84Å
128	L	94.1	Very high	91.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.			trans	-62.3	121	-176.8	-168	81.5	0	0	0	110.4	A104 I107 L125 L131 L149 S151 L152	A104-L128 HydrophobicContact CB-CD1 4.02Å; A104-L128 VanDerWaalsContact O-CA 3.3Å; A104-L128 WeakPolarHBondContact O-CA 3.09Å; A104-L128 WeakPolarHBondContact O-CD1 3.16Å; A104-L128 PolarHBondContact O-N 2.77Å; I107-L128 HydrophobicContact CB-CD1 4.06Å; I107-L128 HydrophobicContact CD1-CD1 3.83Å; I107-L128 HydrophobicContact CG1-CD1 3.7Å; L125-L128 HydrophobicContact CB-CB 4.1Å; L125-L128 HydrophobicContact CD1-CD2 4.29Å; L125-L128 WeakPolarHBondContact O-CB 3.27Å; L125-L128 PolarHBondContact O-N 2.87Å; L125-L128 VanDerWaalsContact O-N 3.11Å; L128-L131 HydrophobicContact CD2-CB 4.06Å; L128-L131 HydrophobicContact CD2-CD1 4.49Å; L128-L149 HydrophobicContact CB-CD2 4.14Å; L128-L149 HydrophobicContact CD2-CD2 3.62Å; L128-S151 CarbonylContact O-C 3.42Å; L128-L152 HydrophobicContact CD2-CD1 4.02Å; L128-L152 HydrophobicContact CG-CD1 4.32Å; L128-L152 VanDerWaalsContact O-CA 3.29Å; L128-L152 WeakPolarHBondContact O-CA 3.34Å; L128-L152 PolarHBondContact O-N 3.15Å
129	K	90.1	Very high	91.2	Very high	74 Å²	74	36 Å²	36	32%	0.322	18%	0.176	S	C	.	.			trans	-94.6	-31.2	177.3	-74.7	173	166.2	-92.4	0	112.5	V105 I127 E153 Y154	V105-K129 HydrophobicContact CG1-CB 4.42Å; V105-K129 HydrophobicContact CG1-CD 4.04Å; V105-K129 HydrophobicContact CG1-CG 4.47Å; V105-K129 PolarHBondContact O-N 3.07Å; I127-K129 PolarHBondContact O-N 2.84Å; K129-E153 HydrophobicContact CG-CG 4.49Å; K129-E153 IonicContact NZ-OE1 2.65Å; K129-E153 PolarHBondContact NZ-OE1 3.34Å; K129-E153 IonicContact NZ-OE2 2.91Å; K129-E153 PolarHBondContact NZ-OE2 3.28Å; K129-E153 PolarHBondContact O-N 3.19Å; K129-Y154 PolarHBondContact O-N 2.88Å
130	R	90.6	Very high	91.5	Very high	34 Å²	34	34.1 Å²	34.1	13%	0.128	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.8	-172.6	-48.5	-165.3	178.3	124.5	15.4	112.2	V105 S106 I107 Y132 Y154 D968	V105-R130 PolarHBondContact O-N 2.84Å; S106-R130 WeakPolarHBondContact CA-O 3.22Å; I107-R130 PolarHBondContact N-O 3.22Å; R130-Y132 HydrophobicContact CB-CE2 3.9Å; R130-Y154 WeakPolarHBondContact CA-O 3.47Å; R130-Y154 HydrophobicContact CB-CD1 4.48Å; R130-D968 IonicContact CZ-OD1 3.43Å; R130-D968 IonicContact CZ-OD2 2.66Å; R130-D968 VanDerWaalsContact NH1-CG 3.27Å; R130-D968 IonicContact NH1-OD1 2.9Å; R130-D968 PolarHBondContact NH1-OD1 2.86Å; R130-D968 IonicContact NH1-OD2 3.97Å; R130-D968 PolarHBondContact NH1-OD2 2.79Å; R130-D968 IonicContact NH2-OD1 2.57Å; R130-D968 PolarHBondContact NH2-OD1 3.09Å; R130-D968 IonicContact NH2-OD2 3.21Å; R130-D968 PolarHBondContact NH2-OD2 2.99Å
131	L	95.5	Very high	91.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.4	176.2	179.1	59	0	0	0	109.6	I107 L109 F122 L128 L133 F146 L149 L152 Y154 L155 Q156	I107-L131 HydrophobicContact CB-CD1 4.4Å; I107-L131 HydrophobicContact CG2-CD1 4.21Å; L109-L131 HydrophobicContact CD1-CD1 4.24Å; F122-L131 HydrophobicContact CE1-CD1 4.36Å; F122-L131 HydrophobicContact CE1-CD2 4.2Å; F122-L131 HydrophobicContact CE2-CD2 4.27Å; F122-L131 HydrophobicContact CZ-CD2 3.94Å; L128-L131 HydrophobicContact CD2-CB 4.06Å; L128-L131 HydrophobicContact CD2-CD1 4.49Å; L131-L133 HydrophobicContact CD1-CG 4.36Å; L131-L133 HydrophobicContact CD2-CD1 4.05Å; L131-L133 HydrophobicContact CD2-CG 4.46Å; L131-L133 HydrophobicContact CG-CD1 4.24Å; L131-L133 HydrophobicContact CG-CG 4.14Å; L131-F146 HydrophobicContact CD2-CD1 4.34Å; L131-F146 HydrophobicContact CD2-CE1 4.33Å; L131-L149 HydrophobicContact CD2-CD1 3.61Å; L131-L152 HydrophobicContact CB-CD1 3.76Å; L131-L152 HydrophobicContact CB-CD2 4.39Å; L131-Y154 PolarHBondContact N-O 2.77Å; L131-Y154 VanDerWaalsContact N-O 3.09Å; L131-L155 HydrophobicContact CB-CD1 4.08Å; L131-L155 HydrophobicContact CD2-CD1 4Å; L131-L155 HydrophobicContact CG-CD1 4.05Å; L131-Q156 PolarHBondContact O-N 3.08Å
132	Y	93.8	Very high	92	Very high	53 Å²	53	38.5 Å²	38.5	21%	0.208	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.5	176.6	-52.6	-99.9	0	0	0	109.4	I107 N108 L109 G110 R130 Y154 Q156	I107-Y132 PolarHBondContact O-N 2.69Å; I107-Y132 VanDerWaalsContact O-N 3.07Å; N108-Y132 HydrophobicContact CB-CD2 4.13Å; N108-Y132 HydrophobicContact CB-CG 4.45Å; N108-Y132 VanDerWaalsContact OD1-CB 3.31Å; N108-Y132 WeakPolarHBondContact OD1-CB 3.23Å; L109-Y132 CarbonylContact C-O 3.55Å; L109-Y132 WeakPolarHBondContact CA-O 3.35Å; L109-Y132 PolarHBondContact N-O 3.13Å; G110-Y132 PolarHBondContact N-O 2.82Å; R130-Y132 HydrophobicContact CB-CE2 3.9Å; Y132-Y154 AromaticContact CD1-CE1 3.92Å; Y132-Y154 HydrophobicContact CD1-CE1 3.92Å; Y132-Y154 HydrophobicContact CE1-CD1 4.16Å; Y132-Y154 AromaticContact CE1-CE1 3.37Å; Y132-Y154 HydrophobicContact CE1-CE1 3.37Å; Y132-Y154 AromaticContact CZ-CE1 3.84Å; Y132-Q156 HydrophobicContact CD1-CB 4.15Å; Y132-Q156 VanDerWaalsContact CD1-OE1 3.27Å
133	L	95.2	Very high	91.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.			trans	-131.1	17.7	-179.5	-67.8	168.5	0	0	0	111.2	L109 L114 I117 L131 N136 L138 F146 L155 Q156 A157 N160	L109-L133 HydrophobicContact CB-CD2 4.01Å; L109-L133 HydrophobicContact CD1-CD2 4.16Å; L114-L133 HydrophobicContact CD1-CD2 4.19Å; I117-L133 HydrophobicContact CD1-CD1 4.41Å; L131-L133 HydrophobicContact CD1-CG 4.36Å; L131-L133 HydrophobicContact CD2-CD1 4.05Å; L131-L133 HydrophobicContact CD2-CG 4.46Å; L131-L133 HydrophobicContact CG-CD1 4.24Å; L131-L133 HydrophobicContact CG-CG 4.14Å; L133-N136 PolarHBondContact O-ND2 3.16Å; L133-L138 HydrophobicContact CB-CD1 4.31Å; L133-L138 HydrophobicContact CD1-CD1 4.3Å; L133-F146 HydrophobicContact CD1-CE1 3.96Å; L133-L155 HydrophobicContact CD1-CD1 4.33Å; L133-Q156 PolarHBondContact N-O 2.04Å; L133-A157 HydrophobicContact CB-CB 4.08Å; L133-N160 PolarHBondContact O-ND2 2.85Å
134	H	91.8	Very high	91.8	Very high	15 Å²	15	42.9 Å²	42.9	7%	0.069	20%	0.204	C	C	.	.			trans	-58	158	-179.1	69.7	79.4	0	0	0	112.4	G110 N111 N136 Q156 D158	G110-H134 CarbonylContact C-O 3.11Å; G110-H134 WeakPolarHBondContact CA-O 3.3Å; N111-H134 PolarHBondContact N-O 3.38Å; H134-N136 PolarHBondContact O-N 3.05Å; H134-N136 PolarHBondContact O-ND2 3.12Å; H134-Q156 HydrophobicContact CB-CG 4.34Å; H134-D158 CarbonylContact C-O 3.54Å; H134-D158 VanDerWaalsContact CA-O 3.23Å; H134-D158 WeakPolarHBondContact CA-O 3.48Å; H134-D158 WeakPolarHBondContact CB-OD1 3.24Å
135	E	89.4	Confident	92.2	Very high	35 Å²	35	42.1 Å²	42.1	16%	0.164	20%	0.195	C	C	.	.	S	Bend	trans	51.3	50.3	174.5	-60.1	-179.6	140.3	0	0	113	N111 N112 D158 Y159	N111-E135 VanDerWaalsContact CA-O 3.23Å; N111-E135 WeakPolarHBondContact CA-O 3.32Å; N111-E135 HydrophobicContact CB-CB 4.12Å; N111-E135 WeakPolarHBondContact CB-OE2 3.17Å; N111-E135 PolarHBondContact N-O 3.07Å; N111-E135 PolarHBondContact ND2-OE2 2.88Å; N112-E135 PolarHBondContact N-O 3.02Å; E135-D158 PolarHBondContact N-O 3Å; E135-Y159 WeakPolarHBondContact CA-O 3.24Å; E135-Y159 HydrophobicContact CG-CG 4.49Å; E135-Y159 PolarHBondContact N-O 2.91Å
136	N	93.6	Very high	92.4	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.037	20%	0.196	C	C	.	.			trans	-125	-174.4	178.1	-87.6	-88.1	0	0	0	110.6	L109 N112 L114 L133 H134 L138 Y159 N160	L109-N136 PolarHBondContact O-ND2 3.05Å; N112-N136 WeakPolarHBondContact CA-OD1 3.41Å; N112-N136 WeakPolarHBondContact CB-OD1 3.32Å; N112-N136 PolarHBondContact O-OD1 3.23Å; L114-N136 HydrophobicContact CB-CB 4.38Å; L114-N136 WeakPolarHBondContact CB-OD1 3.43Å; L114-N136 WeakPolarHBondContact CG-OD1 3.31Å; L114-N136 PolarHBondContact N-OD1 3.11Å; L133-N136 PolarHBondContact O-ND2 3.16Å; H134-N136 PolarHBondContact O-N 3.05Å; H134-N136 PolarHBondContact O-ND2 3.12Å; N136-L138 HydrophobicContact CB-CG 4.32Å; N136-Y159 PolarHBondContact N-O 3.29Å; N136-N160 WeakPolarHBondContact CA-OD1 3.46Å; N136-N160 WeakPolarHBondContact CB-OD1 3.47Å; N136-N160 PolarHBondContact N-ND2 3.22Å; N136-N160 PolarHBondContact O-OD1 3.06Å
137	K	94.3	Very high	92.6	Very high	130 Å²	130	38.6 Å²	38.6	57%	0.565	18%	0.182	S	C	*	.			trans	-116.8	29.8	-173.8	-59	-172.4	179.7	-177	0	112.3	L114 V161	L114-K137 CarbonylContact O-C 3.42Å; L114-K137 VanDerWaalsContact O-CA 3.24Å; L114-K137 WeakPolarHBondContact O-CA 3.5Å; L114-K137 PolarHBondContact O-N 3.41Å; K137-V161 WeakPolarHBondContact O-CG2 3.31Å
138	L	95.2	Very high	92.5	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	17%	0.17	C	C	.	.			trans	-72.5	128.8	-178.3	-56.9	173.8	0	0	0	110.7	L114 I117 L133 N136 F141 N160 V161 I162	L114-L138 HydrophobicContact CB-CD2 4.09Å; L114-L138 WeakPolarHBondContact O-CD2 3.32Å; L114-L138 PolarHBondContact O-N 3.15Å; I117-L138 HydrophobicContact CD1-CD1 4.06Å; I117-L138 HydrophobicContact CD1-CD2 3.91Å; I117-L138 HydrophobicContact CG1-CD2 3.93Å; L133-L138 HydrophobicContact CB-CD1 4.31Å; L133-L138 HydrophobicContact CD1-CD1 4.3Å; N136-L138 HydrophobicContact CB-CG 4.32Å; L138-F141 HydrophobicContact CD1-CE1 4.11Å; L138-N160 WeakPolarHBondContact CB-OD1 3.47Å; L138-N160 WeakPolarHBondContact CG-OD1 3.31Å; L138-N160 PolarHBondContact N-OD1 3.32Å; L138-N160 VanDerWaalsContact N-OD1 3.15Å; L138-V161 CarbonylContact O-C 3.53Å; L138-V161 WeakPolarHBondContact O-CG2 3.04Å; L138-V161 PolarHBondContact O-N 2.69Å; L138-I162 HydrophobicContact CB-CG1 4.34Å; L138-I162 WeakPolarHBondContact O-CA 3.46Å; L138-I162 WeakPolarHBondContact O-CG1 3.03Å; L138-I162 PolarHBondContact O-N 2.84Å; L138-I162 VanDerWaalsContact O-N 3.07Å
139	D	92.6	Very high	92.5	Very high	52 Å²	52	35.8 Å²	35.8	28%	0.278	17%	0.17	S	C	.	.			trans	-101.5	-36	-176.8	-160.8	-43.7	0	0	0	112.6	I162 K163 R164	D139-I162 CarbonylContact O-C 3.46Å; D139-I162 WeakPolarHBondContact O-CA 3.34Å; D139-K163 VanDerWaalsContact CG-NZ 3.34Å; D139-K163 PolarHBondContact O-N 2.78Å; D139-K163 WeakPolarHBondContact OD1-CD 3.46Å; D139-K163 IonicContact OD1-NZ 2.64Å; D139-K163 PolarHBondContact OD1-NZ 2.66Å; D139-K163 IonicContact OD2-NZ 2.75Å; D139-K163 PolarHBondContact OD2-NZ 3.26Å; D139-R164 PolarHBondContact O-N 3.08Å
140	V	93.7	Very high	92.5	Very high	38 Å²	38	37.6 Å²	37.6	23%	0.23	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	129.8	-172.6	-175.5	0	0	0	0	112	R142 R164	V140-R142 HydrophobicContact CG1-CG 4.1Å; V140-R164 WeakPolarHBondContact CA-O 3.03Å; V140-R164 HydrophobicContact CG1-CB 4.26Å; V140-R164 HydrophobicContact CG2-CB 4.34Å
141	F	95	Very high	92.7	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.6	164	-72.3	-3.9	0	0	0	109.9	L138 F146 A157 I162 R164 I165 E166 A169 F170 L181	L138-F141 HydrophobicContact CD1-CE1 4.11Å; F141-F146 HydrophobicContact CB-CE2 4.37Å; F141-F146 HydrophobicContact CD1-CE2 4.27Å; F141-F146 HydrophobicContact CD1-CZ 4.14Å; F141-F146 AromaticContact CD2-CE2 3.69Å; F141-F146 HydrophobicContact CD2-CE2 3.69Å; F141-F146 AromaticContact CD2-CZ 3.96Å; F141-F146 HydrophobicContact CD2-CZ 3.96Å; F141-F146 HydrophobicContact CE1-CE2 4.48Å; F141-F146 AromaticContact CE1-CZ 3.94Å; F141-F146 HydrophobicContact CE1-CZ 3.94Å; F141-F146 AromaticContact CE2-CE2 3.92Å; F141-F146 HydrophobicContact CE2-CE2 3.92Å; F141-F146 AromaticContact CE2-CZ 3.73Å; F141-F146 HydrophobicContact CE2-CZ 3.73Å; F141-F146 AromaticContact CG-CE2 3.87Å; F141-F146 HydrophobicContact CG-CE2 3.87Å; F141-F146 HydrophobicContact CG-CZ 4.16Å; F141-F146 HydrophobicContact CZ-CE2 4.31Å; F141-F146 AromaticContact CZ-CZ 3.72Å; F141-F146 HydrophobicContact CZ-CZ 3.72Å; F141-A157 HydrophobicContact CE2-CB 4.49Å; F141-A157 HydrophobicContact CZ-CB 3.75Å; F141-I162 HydrophobicContact CD1-CD1 4.19Å; F141-I162 HydrophobicContact CE1-CD1 3.52Å; F141-I162 HydrophobicContact CE1-CG1 4.2Å; F141-I162 HydrophobicContact CE2-CD1 3.91Å; F141-I162 HydrophobicContact CZ-CD1 3.36Å; F141-I162 HydrophobicContact CZ-CG1 4.48Å; F141-R164 PolarHBondContact N-O 3.35Å; F141-I165 HydrophobicContact CB-CB 4.46Å; F141-I165 HydrophobicContact CB-CG1 4.23Å; F141-I165 HydrophobicContact CB-CG2 4.17Å; F141-I165 HydrophobicContact CD2-CD1 4.22Å; F141-I165 HydrophobicContact CD2-CG1 4.25Å; F141-E166 PolarHBondContact O-N 3.45Å; F141-A169 HydrophobicContact CB-CB 4.2Å; F141-F170 HydrophobicContact CD2-CE1 4.01Å; F141-F170 HydrophobicContact CD2-CZ 4.14Å; F141-F170 HydrophobicContact CE2-CE1 4.33Å; F141-F170 HydrophobicContact CE2-CZ 4.45Å; F141-L181 HydrophobicContact CE2-CD2 3.88Å; F141-L181 HydrophobicContact CZ-CD2 4.41Å
142	R	93.4	Very high	92.7	Very high	92 Å²	92	36.9 Å²	36.9	35%	0.347	18%	0.18	S	C	.	.			trans	-92.4	161.5	179.6	-52.5	-179	-170.3	104.3	-1.6	110.6	D116 I117 V140 D144 T145 E166	D116-R142 IonicContact OD1-CZ 2.67Å; D116-R142 VanDerWaalsContact OD1-CZ 3.31Å; D116-R142 IonicContact OD1-NH1 2.89Å; D116-R142 PolarHBondContact OD1-NH1 3.03Å; D116-R142 IonicContact OD1-NH2 3.31Å; D116-R142 PolarHBondContact OD1-NH2 2.69Å; I117-R142 PolarHBondContact O-NH1 3.48Å; V140-R142 HydrophobicContact CG1-CG 4.1Å; R142-D144 PolarHBondContact O-N 3.12Å; R142-D144 VanDerWaalsContact O-N 3.11Å; R142-T145 WeakPolarHBondContact CB-OG1 3.34Å; R142-T145 PolarHBondContact N-OG1 2.79Å; R142-T145 WeakPolarHBondContact O-CB 3.29Å; R142-T145 PolarHBondContact O-N 2.92Å; R142-T145 VanDerWaalsContact O-N 3.08Å; R142-T145 PolarHBondContact O-OG1 2.8Å; R142-E166 VanDerWaalsContact CA-OE2 3.23Å; R142-E166 WeakPolarHBondContact CA-OE2 3.39Å
143	N	90.2	Very high	92.6	Very high	60 Å²	60	35.3 Å²	35.3	32%	0.321	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-40.3	179.7	-66.1	-42	0	0	0	113.4	E166 G168	N143-E166 PolarHBondContact N-OE2 3.2Å; N143-E166 PolarHBondContact ND2-OE2 3.49Å; N143-E166 VanDerWaalsContact OD1-CB 3.31Å; N143-E166 WeakPolarHBondContact OD1-CB 3.1Å; N143-G168 WeakPolarHBondContact OD1-CA 3.14Å; N143-G168 PolarHBondContact OD1-N 2.96Å
144	D	89.3	Confident	92.4	Very high	76 Å²	76	37.2 Å²	37.2	41%	0.406	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	11.5	-175.2	-49.7	-72.1	0	0	0	113.8	T119 R142 F146 L147	T119-D144 HydrophobicContact CG2-CB 4Å; R142-D144 PolarHBondContact O-N 3.12Å; R142-D144 VanDerWaalsContact O-N 3.11Å; D144-F146 VanDerWaalsContact C-N 3.29Å; D144-F146 PolarHBondContact O-N 3.41Å; D144-L147 HydrophobicContact CB-CB 4.48Å; D144-L147 WeakPolarHBondContact O-CB 3.32Å; D144-L147 PolarHBondContact O-N 2.57Å
145	T	91.8	Very high	92.6	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.025	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.7	178.9	-72.6	0	0	0	0	112.1	I117 F122 R142	I117-T145 HydrophobicContact CB-CG2 4.29Å; I117-T145 HydrophobicContact CD1-CG2 4.32Å; I117-T145 HydrophobicContact CG2-CG2 4.25Å; F122-T145 VanDerWaalsContact CD2-O 3.27Å; F122-T145 WeakPolarHBondContact CD2-O 3.38Å; F122-T145 WeakPolarHBondContact CE2-O 3.44Å; R142-T145 WeakPolarHBondContact CB-OG1 3.34Å; R142-T145 PolarHBondContact N-OG1 2.79Å; R142-T145 WeakPolarHBondContact O-CB 3.29Å; R142-T145 PolarHBondContact O-N 2.92Å; R142-T145 VanDerWaalsContact O-N 3.08Å; R142-T145 PolarHBondContact O-OG1 2.8Å
146	F	93.9	Very high	92.7	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	24.6	-179.4	-56	-73	0	0	0	113.3	F122 L131 L133 F141 D144 G148 L149 L155 F170 L173	F122-F146 HydrophobicContact CD2-CD1 4.47Å; F122-F146 HydrophobicContact CE2-CD1 4.1Å; F122-F146 HydrophobicContact CE2-CE1 4.45Å; L131-F146 HydrophobicContact CD2-CD1 4.34Å; L131-F146 HydrophobicContact CD2-CE1 4.33Å; L133-F146 HydrophobicContact CD1-CE1 3.96Å; F141-F146 HydrophobicContact CB-CE2 4.37Å; F141-F146 HydrophobicContact CD1-CE2 4.27Å; F141-F146 HydrophobicContact CD1-CZ 4.14Å; F141-F146 AromaticContact CD2-CE2 3.69Å; F141-F146 HydrophobicContact CD2-CE2 3.69Å; F141-F146 AromaticContact CD2-CZ 3.96Å; F141-F146 HydrophobicContact CD2-CZ 3.96Å; F141-F146 HydrophobicContact CE1-CE2 4.48Å; F141-F146 AromaticContact CE1-CZ 3.94Å; F141-F146 HydrophobicContact CE1-CZ 3.94Å; F141-F146 AromaticContact CE2-CE2 3.92Å; F141-F146 HydrophobicContact CE2-CE2 3.92Å; F141-F146 AromaticContact CE2-CZ 3.73Å; F141-F146 HydrophobicContact CE2-CZ 3.73Å; F141-F146 AromaticContact CG-CE2 3.87Å; F141-F146 HydrophobicContact CG-CE2 3.87Å; F141-F146 HydrophobicContact CG-CZ 4.16Å; F141-F146 HydrophobicContact CZ-CE2 4.31Å; F141-F146 AromaticContact CZ-CZ 3.72Å; F141-F146 HydrophobicContact CZ-CZ 3.72Å; D144-F146 VanDerWaalsContact C-N 3.29Å; D144-F146 PolarHBondContact O-N 3.41Å; F146-G148 PolarHBondContact O-N 3.32Å; F146-L149 HydrophobicContact CB-CD1 4.24Å; F146-L149 HydrophobicContact CD1-CD1 4.04Å; F146-L149 PolarHBondContact O-N 3.11Å; F146-L155 HydrophobicContact CD1-CD2 4.49Å; F146-L155 HydrophobicContact CE1-CD1 4.11Å; F146-L155 HydrophobicContact CE1-CD2 4.01Å; F146-L155 HydrophobicContact CE2-CD2 4.29Å; F146-L155 HydrophobicContact CZ-CD2 3.9Å; F146-F170 HydrophobicContact CD2-CD1 4.23Å; F146-F170 HydrophobicContact CD2-CE1 4.29Å; F146-F170 HydrophobicContact CE2-CD1 4.31Å; F146-F170 AromaticContact CE2-CE1 3.91Å; F146-F170 HydrophobicContact CE2-CE1 3.91Å; F146-L173 HydrophobicContact CB-CD1 4.16Å; F146-L173 HydrophobicContact CB-CD2 3.98Å; F146-L173 HydrophobicContact CB-CG 4.36Å; F146-L173 HydrophobicContact CD2-CD1 4.43Å; F146-L173 HydrophobicContact CG-CD1 4.31Å
147	L	91.6	Very high	92.8	Very high	61 Å²	61	35.8 Å²	35.8	32%	0.319	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	130.8	175.3	-175.2	65	0	0	0	110.8	D144	D144-L147 HydrophobicContact CB-CB 4.48Å; D144-L147 WeakPolarHBondContact O-CB 3.32Å; D144-L147 PolarHBondContact O-N 2.57Å
148	G	88.1	Confident	92.6	Very high	11 Å²	11	30.2 Å²	30.2	11%	0.113	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.6	-15.3	-176.2	0	0	0	0	0	115.4	F146 E150	F146-G148 PolarHBondContact O-N 3.32Å; G148-E150 PolarHBondContact O-N 2.85Å
149	L	93.6	Very high	92.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.			trans	-93.5	43.8	-172	-63	-178.9	0	0	0	114.6	F122 L125 L128 L131 F146 S151 L152 L173	F122-L149 HydrophobicContact CB-CD1 4.05Å; F122-L149 HydrophobicContact CB-CD2 3.87Å; F122-L149 HydrophobicContact CB-CG 3.76Å; F122-L149 HydrophobicContact CD2-CD1 3.79Å; F122-L149 HydrophobicContact CD2-CG 4.4Å; F122-L149 HydrophobicContact CE2-CD1 4.36Å; F122-L149 HydrophobicContact CG-CD1 3.88Å; F122-L149 HydrophobicContact CG-CD2 4.38Å; F122-L149 HydrophobicContact CG-CG 4.17Å; L125-L149 HydrophobicContact CB-CD2 3.67Å; L125-L149 HydrophobicContact CD1-CD2 4.08Å; L128-L149 HydrophobicContact CB-CD2 4.14Å; L128-L149 HydrophobicContact CD2-CD2 3.62Å; L131-L149 HydrophobicContact CD2-CD1 3.61Å; F146-L149 HydrophobicContact CB-CD1 4.24Å; F146-L149 HydrophobicContact CD1-CD1 4.04Å; F146-L149 PolarHBondContact O-N 3.11Å; L149-S151 PolarHBondContact O-N 2.95Å; L149-S151 VanDerWaalsContact O-N 3.12Å; L149-L152 HydrophobicContact CB-CB 4.28Å; L149-L152 HydrophobicContact CD1-CD2 4.33Å; L149-L152 WeakPolarHBondContact O-CB 3.3Å; L149-L152 PolarHBondContact O-N 3.36Å; L149-L152 VanDerWaalsContact O-N 3.16Å; L149-L173 HydrophobicContact CB-CD2 3.72Å; L149-L173 WeakPolarHBondContact O-CD2 3.33Å
150	E	90.6	Very high	92.3	Very high	113 Å²	113	32.2 Å²	32.2	53%	0.528	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.2	-173.7	-66.6	169.6	-145.8	0	0	114.6	G148 S174	G148-E150 PolarHBondContact O-N 2.85Å; E150-S174 PolarHBondContact O-OG 2.79Å
151	S	93.9	Very high	92.4	Very high	18 Å²	18	33 Å²	33	13%	0.126	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.4	-180	-65	0	0	0	0	115.3	K126 L128 L149 E153 K175	K126-S151 WeakPolarHBondContact O-CB 3.18Å; K126-S151 PolarHBondContact O-OG 3.45Å; L128-S151 CarbonylContact O-C 3.42Å; L149-S151 PolarHBondContact O-N 2.95Å; L149-S151 VanDerWaalsContact O-N 3.12Å; S151-E153 PolarHBondContact O-N 3.09Å; S151-K175 PolarHBondContact OG-NZ 3.29Å
152	L	95.9	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.			trans	-66.2	125.6	-172.8	-161.8	73.1	0	0	0	111.8	L128 L131 L149 L155 L173 K175 L176	L128-L152 HydrophobicContact CD2-CD1 4.02Å; L128-L152 HydrophobicContact CG-CD1 4.32Å; L128-L152 VanDerWaalsContact O-CA 3.29Å; L128-L152 WeakPolarHBondContact O-CA 3.34Å; L128-L152 PolarHBondContact O-N 3.15Å; L131-L152 HydrophobicContact CB-CD1 3.76Å; L131-L152 HydrophobicContact CB-CD2 4.39Å; L149-L152 HydrophobicContact CB-CB 4.28Å; L149-L152 HydrophobicContact CD1-CD2 4.33Å; L149-L152 WeakPolarHBondContact O-CB 3.3Å; L149-L152 PolarHBondContact O-N 3.36Å; L149-L152 VanDerWaalsContact O-N 3.16Å; L152-L155 HydrophobicContact CD2-CB 3.95Å; L152-L155 HydrophobicContact CD2-CD1 4.32Å; L152-L155 HydrophobicContact CD2-CD2 4.47Å; L152-L155 HydrophobicContact CD2-CG 4.48Å; L152-L173 HydrophobicContact CB-CD2 4.21Å; L152-L173 HydrophobicContact CD2-CD1 4.37Å; L152-L173 HydrophobicContact CD2-CD2 4.18Å; L152-K175 CarbonylContact O-C 3.11Å; L152-L176 HydrophobicContact CD2-CD1 4.3Å; L152-L176 HydrophobicContact CG-CD1 4.38Å; L152-L176 WeakPolarHBondContact O-CA 3.48Å; L152-L176 PolarHBondContact O-N 3.27Å
153	E	90.6	Very high	92.4	Very high	21 Å²	21	33 Å²	33	10%	0.098	16%	0.164	C	C	.	.			trans	-104.5	-28.9	179.7	-72.2	166.6	-175.4	0	0	111.8	K129 S151 K175 R177 V178	K129-E153 HydrophobicContact CG-CG 4.49Å; K129-E153 IonicContact NZ-OE1 2.65Å; K129-E153 PolarHBondContact NZ-OE1 3.34Å; K129-E153 IonicContact NZ-OE2 2.91Å; K129-E153 PolarHBondContact NZ-OE2 3.28Å; K129-E153 PolarHBondContact O-N 3.19Å; S151-E153 PolarHBondContact O-N 3.09Å; E153-K175 HydrophobicContact CG-CB 4.32Å; E153-R177 PolarHBondContact O-N 2.97Å; E153-V178 PolarHBondContact O-N 2.82Å; E153-V178 VanDerWaalsContact O-N 3.08Å
154	Y	91.4	Very high	92.5	Very high	40 Å²	40	37.2 Å²	37.2	16%	0.157	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.2	-174.5	-177	-80.6	0	0	0	110.9	K129 R130 L131 Y132 Q156 V178 I180	K129-Y154 PolarHBondContact O-N 2.88Å; R130-Y154 WeakPolarHBondContact CA-O 3.47Å; R130-Y154 HydrophobicContact CB-CD1 4.48Å; L131-Y154 PolarHBondContact N-O 2.77Å; L131-Y154 VanDerWaalsContact N-O 3.09Å; Y132-Y154 AromaticContact CD1-CE1 3.92Å; Y132-Y154 HydrophobicContact CD1-CE1 3.92Å; Y132-Y154 HydrophobicContact CE1-CD1 4.16Å; Y132-Y154 AromaticContact CE1-CE1 3.37Å; Y132-Y154 HydrophobicContact CE1-CE1 3.37Å; Y132-Y154 AromaticContact CZ-CE1 3.84Å; Y154-Q156 HydrophobicContact CD1-CB 4.5Å; Y154-Q156 HydrophobicContact CE1-CB 3.68Å; Y154-Q156 PolarHBondContact OH-OE1 3.31Å; Y154-V178 HydrophobicContact CD2-CB 3.6Å; Y154-V178 HydrophobicContact CD2-CG1 3.57Å; Y154-V178 HydrophobicContact CD2-CG2 4.16Å; Y154-V178 HydrophobicContact CE2-CB 4.18Å; Y154-V178 HydrophobicContact CE2-CG1 3.6Å; Y154-V178 HydrophobicContact CG-CB 4.33Å; Y154-V178 HydrophobicContact CG-CG1 4.49Å; Y154-I180 HydrophobicContact CE2-CD1 4.13Å; Y154-I180 WeakPolarHBondContact OH-CD1 3.35Å
155	L	96.1	Very high	92.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.2	174	179.6	57.4	0	0	0	110.2	L131 L133 F146 L152 F170 L173 L176 V178 L179 I180	L131-L155 HydrophobicContact CB-CD1 4.08Å; L131-L155 HydrophobicContact CD2-CD1 4Å; L131-L155 HydrophobicContact CG-CD1 4.05Å; L133-L155 HydrophobicContact CD1-CD1 4.33Å; F146-L155 HydrophobicContact CD1-CD2 4.49Å; F146-L155 HydrophobicContact CE1-CD1 4.11Å; F146-L155 HydrophobicContact CE1-CD2 4.01Å; F146-L155 HydrophobicContact CE2-CD2 4.29Å; F146-L155 HydrophobicContact CZ-CD2 3.9Å; L152-L155 HydrophobicContact CD2-CB 3.95Å; L152-L155 HydrophobicContact CD2-CD1 4.32Å; L152-L155 HydrophobicContact CD2-CD2 4.47Å; L152-L155 HydrophobicContact CD2-CG 4.48Å; L155-F170 HydrophobicContact CD2-CE1 4.26Å; L155-L173 HydrophobicContact CD2-CD1 4.35Å; L155-L176 HydrophobicContact CB-CD1 3.82Å; L155-V178 PolarHBondContact N-O 2.02Å; L155-L179 HydrophobicContact CB-CD1 4.09Å; L155-L179 HydrophobicContact CD2-CD1 3.92Å; L155-L179 HydrophobicContact CG-CD1 4.05Å; L155-L179 WeakPolarHBondContact O-CA 3.44Å; L155-I180 PolarHBondContact O-N 2.83Å
156	Q	92.3	Very high	92.9	Very high	27 Å²	27	36.4 Å²	36.4	13%	0.126	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.2	175.4	175.7	179.1	-4.3	0	0	110.1	L131 Y132 L133 H134 Y154 D158 I180	L131-Q156 PolarHBondContact O-N 3.08Å; Y132-Q156 HydrophobicContact CD1-CB 4.15Å; Y132-Q156 VanDerWaalsContact CD1-OE1 3.27Å; L133-Q156 PolarHBondContact N-O 2.04Å; H134-Q156 HydrophobicContact CB-CG 4.34Å; Y154-Q156 HydrophobicContact CD1-CB 4.5Å; Y154-Q156 HydrophobicContact CE1-CB 3.68Å; Y154-Q156 PolarHBondContact OH-OE1 3.31Å; Q156-D158 VanDerWaalsContact CD-OD1 3.3Å; Q156-D158 WeakPolarHBondContact CG-OD1 3.16Å; Q156-D158 PolarHBondContact NE2-OD1 3.17Å; Q156-D158 PolarHBondContact NE2-OD2 3.32Å; Q156-I180 HydrophobicContact CB-CB 4.26Å; Q156-I180 HydrophobicContact CG-CB 4.17Å; Q156-I180 HydrophobicContact CG-CG2 4.1Å
157	A	94.9	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.			trans	-147.5	39.9	-180	0	0	0	0	0	112.7	L133 F141 N160 I180 L181 N184	L133-A157 HydrophobicContact CB-CB 4.08Å; F141-A157 HydrophobicContact CE2-CB 4.49Å; F141-A157 HydrophobicContact CZ-CB 3.75Å; A157-N160 PolarHBondContact O-ND2 2.85Å; A157-I180 PolarHBondContact N-O 3.22Å; A157-L181 HydrophobicContact CB-CD2 4.11Å; A157-N184 PolarHBondContact O-ND2 2.95Å
158	D	90	Very high	92.6	Very high	13 Å²	13	37.2 Å²	37.2	7%	0.07	18%	0.182	C	C	.	.			trans	-71	168.2	173.1	56.4	-46.7	0	0	0	113.4	H134 E135 Q156 N160 I180 N182	H134-D158 CarbonylContact C-O 3.54Å; H134-D158 VanDerWaalsContact CA-O 3.23Å; H134-D158 WeakPolarHBondContact CA-O 3.48Å; H134-D158 WeakPolarHBondContact CB-OD1 3.24Å; E135-D158 PolarHBondContact N-O 3Å; Q156-D158 VanDerWaalsContact CD-OD1 3.3Å; Q156-D158 WeakPolarHBondContact CG-OD1 3.16Å; Q156-D158 PolarHBondContact NE2-OD1 3.17Å; Q156-D158 PolarHBondContact NE2-OD2 3.32Å; D158-N160 VanDerWaalsContact C-N 3.27Å; D158-N160 PolarHBondContact O-N 2.8Å; D158-N160 PolarHBondContact O-ND2 3.01Å; D158-I180 HydrophobicContact CB-CG2 4.24Å; D158-N182 WeakPolarHBondContact CA-O 3.44Å; D158-N182 WeakPolarHBondContact CB-ND2 3.23Å; D158-N182 WeakPolarHBondContact CB-O 3.49Å; D158-N182 VanDerWaalsContact CB-OD1 3.28Å; D158-N182 WeakPolarHBondContact CB-OD1 3.27Å
159	Y	89.4	Confident	92.8	Very high	90 Å²	90	36.9 Å²	36.9	35%	0.353	18%	0.178	S	C	.	.	S	Bend	trans	49.6	48.7	-177.6	-69.2	-92.1	0	0	0	112.3	E135 N136 N182 D183	E135-Y159 WeakPolarHBondContact CA-O 3.24Å; E135-Y159 HydrophobicContact CG-CG 4.49Å; E135-Y159 PolarHBondContact N-O 2.91Å; N136-Y159 PolarHBondContact N-O 3.29Å; Y159-N182 PolarHBondContact N-O 3.27Å; Y159-D183 WeakPolarHBondContact CA-O 3.11Å; Y159-D183 HydrophobicContact CD1-CB 4.04Å; Y159-D183 HydrophobicContact CD2-CB 3.97Å; Y159-D183 HydrophobicContact CE1-CB 3.89Å; Y159-D183 HydrophobicContact CE2-CB 3.78Å; Y159-D183 WeakPolarHBondContact CE2-OD2 3.46Å; Y159-D183 HydrophobicContact CG-CB 4.06Å; Y159-D183 PolarHBondContact N-O 2.97Å; Y159-D183 VanDerWaalsContact OH-CG 3.25Å; Y159-D183 PolarHBondContact OH-OD2 3.22Å
160	N	93.1	Very high	92.8	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.043	18%	0.178	C	C	.	.	S	Bend	trans	-122.4	179.5	176.5	-89.8	-100	0	0	0	109.8	L133 N136 L138 A157 D158 I162 D183 N184	L133-N160 PolarHBondContact O-ND2 2.85Å; N136-N160 WeakPolarHBondContact CA-OD1 3.46Å; N136-N160 WeakPolarHBondContact CB-OD1 3.47Å; N136-N160 PolarHBondContact N-ND2 3.22Å; N136-N160 PolarHBondContact O-OD1 3.06Å; L138-N160 WeakPolarHBondContact CB-OD1 3.47Å; L138-N160 WeakPolarHBondContact CG-OD1 3.31Å; L138-N160 PolarHBondContact N-OD1 3.32Å; L138-N160 VanDerWaalsContact N-OD1 3.15Å; A157-N160 PolarHBondContact O-ND2 2.85Å; D158-N160 VanDerWaalsContact C-N 3.27Å; D158-N160 PolarHBondContact O-N 2.8Å; D158-N160 PolarHBondContact O-ND2 3.01Å; N160-I162 HydrophobicContact CB-CD1 4.16Å; N160-I162 HydrophobicContact CB-CG1 4.02Å; N160-D183 PolarHBondContact N-O 2.77Å; N160-N184 WeakPolarHBondContact CB-OD1 3.35Å; N160-N184 PolarHBondContact O-OD1 3.24Å
161	V	94.9	Very high	92.8	Very high	56 Å²	56	40.5 Å²	40.5	34%	0.339	19%	0.187	S	C	.	.			trans	-108.5	31	-179.9	-63.3	0	0	0	0	112	K137 L138 K163 L185	K137-V161 WeakPolarHBondContact O-CG2 3.31Å; L138-V161 CarbonylContact O-C 3.53Å; L138-V161 WeakPolarHBondContact O-CG2 3.04Å; L138-V161 PolarHBondContact O-N 2.69Å; V161-K163 PolarHBondContact O-N 3.32Å; V161-K163 VanDerWaalsContact O-N 3.13Å; V161-L185 HydrophobicContact CB-CD1 4.18Å
162	I	95.9	Very high	92.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.195	C	C	.	.			trans	-67.8	113.7	-171.2	-58.3	164	0	0	0	109.6	L138 D139 F141 N160 I165 N184 L185 I186	L138-I162 HydrophobicContact CB-CG1 4.34Å; L138-I162 WeakPolarHBondContact O-CA 3.46Å; L138-I162 WeakPolarHBondContact O-CG1 3.03Å; L138-I162 PolarHBondContact O-N 2.84Å; L138-I162 VanDerWaalsContact O-N 3.07Å; D139-I162 CarbonylContact O-C 3.46Å; D139-I162 WeakPolarHBondContact O-CA 3.34Å; F141-I162 HydrophobicContact CD1-CD1 4.19Å; F141-I162 HydrophobicContact CE1-CD1 3.52Å; F141-I162 HydrophobicContact CE1-CG1 4.2Å; F141-I162 HydrophobicContact CE2-CD1 3.91Å; F141-I162 HydrophobicContact CZ-CD1 3.36Å; F141-I162 HydrophobicContact CZ-CG1 4.48Å; N160-I162 HydrophobicContact CB-CD1 4.16Å; N160-I162 HydrophobicContact CB-CG1 4.02Å; I162-I165 HydrophobicContact CG2-CG1 4.06Å; I162-N184 WeakPolarHBondContact CB-OD1 3.48Å; I162-N184 WeakPolarHBondContact CD1-OD1 3.28Å; I162-N184 VanDerWaalsContact CG1-OD1 3.22Å; I162-N184 WeakPolarHBondContact CG1-OD1 3.34Å; I162-N184 PolarHBondContact N-OD1 2.83Å; I162-L185 CarbonylContact O-C 3.55Å; I162-L185 VanDerWaalsContact O-CA 3.27Å; I162-L185 WeakPolarHBondContact O-CA 3.3Å; I162-L185 PolarHBondContact O-N 2.9Å; I162-I186 HydrophobicContact CB-CG1 4.37Å; I162-I186 HydrophobicContact CG2-CD1 4.43Å; I162-I186 HydrophobicContact CG2-CG1 4.1Å; I162-I186 WeakPolarHBondContact O-CG1 2.98Å; I162-I186 PolarHBondContact O-N 2.77Å; I162-I186 VanDerWaalsContact O-N 3.09Å
163	K	92.9	Very high	92.4	Very high	93 Å²	93	42.3 Å²	42.3	40%	0.404	20%	0.195	S	C	.	.			trans	-98.4	-25.3	176.9	-63.2	167.3	-153.5	144.3	0	112.3	D139 V161 L185 P187	D139-K163 VanDerWaalsContact CG-NZ 3.34Å; D139-K163 PolarHBondContact O-N 2.78Å; D139-K163 WeakPolarHBondContact OD1-CD 3.46Å; D139-K163 IonicContact OD1-NZ 2.64Å; D139-K163 PolarHBondContact OD1-NZ 2.66Å; D139-K163 IonicContact OD2-NZ 2.75Å; D139-K163 PolarHBondContact OD2-NZ 3.26Å; V161-K163 PolarHBondContact O-N 3.32Å; V161-K163 VanDerWaalsContact O-N 3.13Å; K163-L185 HydrophobicContact CG-CB 3.95Å; K163-L185 HydrophobicContact CG-CD1 4.32Å; K163-P187 WeakPolarHBondContact O-CD 3.2Å
164	R	92	Very high	92.4	Very high	148 Å²	148	45 Å²	45	56%	0.558	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.1	-175	-69.3	-178.4	60.2	-137.4	-10.4	112.3	D139 V140 F141	D139-R164 PolarHBondContact O-N 3.08Å; V140-R164 WeakPolarHBondContact CA-O 3.03Å; V140-R164 HydrophobicContact CG1-CB 4.26Å; V140-R164 HydrophobicContact CG2-CB 4.34Å; F141-R164 PolarHBondContact N-O 3.35Å
165	I	95.4	Very high	92.4	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.3	167.1	-57.2	-177.9	0	0	0	106.7	F141 I162 A169 F170 L181 I186 L189 P190 L193	F141-I165 HydrophobicContact CB-CB 4.46Å; F141-I165 HydrophobicContact CB-CG1 4.23Å; F141-I165 HydrophobicContact CB-CG2 4.17Å; F141-I165 HydrophobicContact CD2-CD1 4.22Å; F141-I165 HydrophobicContact CD2-CG1 4.25Å; I162-I165 HydrophobicContact CG2-CG1 4.06Å; I165-A169 HydrophobicContact CG2-CB 3.82Å; I165-F170 HydrophobicContact CD1-CZ 4.41Å; I165-F170 HydrophobicContact CG2-CZ 4.47Å; I165-L181 HydrophobicContact CD1-CD1 4.11Å; I165-I186 HydrophobicContact CD1-CD1 3.79Å; I165-I186 HydrophobicContact CG1-CD1 4.46Å; I165-L189 HydrophobicContact CD1-CD2 4.22Å; I165-P190 WeakPolarHBondContact O-CG 3.43Å; I165-L193 HydrophobicContact CG2-CD1 3.69Å; I165-L193 HydrophobicContact CG2-CD2 4.02Å
166	E	93.6	Very high	92.3	Very high	53 Å²	53	47.7 Å²	47.7	25%	0.248	23%	0.229	C	C	.	.			trans	-87.8	148.9	173.6	-64.2	-177.4	166	0	0	111.4	F141 R142 N143 G168 A169	F141-E166 PolarHBondContact O-N 3.45Å; R142-E166 VanDerWaalsContact CA-OE2 3.23Å; R142-E166 WeakPolarHBondContact CA-OE2 3.39Å; N143-E166 PolarHBondContact N-OE2 3.2Å; N143-E166 PolarHBondContact ND2-OE2 3.49Å; N143-E166 VanDerWaalsContact OD1-CB 3.31Å; N143-E166 WeakPolarHBondContact OD1-CB 3.1Å; E166-G168 PolarHBondContact O-N 3.15Å; E166-A169 WeakPolarHBondContact O-CB 3.38Å; E166-A169 PolarHBondContact O-N 3Å
167	S	89.7	Confident	92.1	Very high	67 Å²	67	51.3 Å²	51.3	47%	0.469	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.5	-171.5	50.7	0	0	0	0	115.1	T191	S167-T191 VanDerWaalsContact CB-O 3.31Å; S167-T191 WeakPolarHBondContact CB-O 3.28Å
168	G	90	Very high	91.7	Very high	14 Å²	14	51.7 Å²	51.7	14%	0.144	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	1	176.6	0	0	0	0	0	115	N143 E166 F170 R171	N143-G168 WeakPolarHBondContact OD1-CA 3.14Å; N143-G168 PolarHBondContact OD1-N 2.96Å; E166-G168 PolarHBondContact O-N 3.15Å; G168-F170 PolarHBondContact O-N 3Å; G168-R171 WeakPolarHBondContact O-CB 3.14Å; G168-R171 PolarHBondContact O-N 3.09Å
169	A	93.3	Very high	91.9	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.8	-171.7	0	0	0	0	0	114.3	F141 I165 E166 L193	F141-A169 HydrophobicContact CB-CB 4.2Å; I165-A169 HydrophobicContact CG2-CB 3.82Å; E166-A169 WeakPolarHBondContact O-CB 3.38Å; E166-A169 PolarHBondContact O-N 3Å; A169-L193 HydrophobicContact CB-CD1 4.46Å
170	F	93.4	Very high	91.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	9.5	177.7	-50.8	-37.7	0	0	0	113.8	F141 F146 L155 I165 G168 N172 L173 L179 L181 L193 F194 V197	F141-F170 HydrophobicContact CD2-CE1 4.01Å; F141-F170 HydrophobicContact CD2-CZ 4.14Å; F141-F170 HydrophobicContact CE2-CE1 4.33Å; F141-F170 HydrophobicContact CE2-CZ 4.45Å; F146-F170 HydrophobicContact CD2-CD1 4.23Å; F146-F170 HydrophobicContact CD2-CE1 4.29Å; F146-F170 HydrophobicContact CE2-CD1 4.31Å; F146-F170 AromaticContact CE2-CE1 3.91Å; F146-F170 HydrophobicContact CE2-CE1 3.91Å; L155-F170 HydrophobicContact CD2-CE1 4.26Å; I165-F170 HydrophobicContact CD1-CZ 4.41Å; I165-F170 HydrophobicContact CG2-CZ 4.47Å; G168-F170 PolarHBondContact O-N 3Å; F170-N172 PolarHBondContact O-N 3.42Å; F170-L173 HydrophobicContact CB-CD1 4.19Å; F170-L173 HydrophobicContact CD1-CD1 3.77Å; F170-L173 HydrophobicContact CG-CD1 4.34Å; F170-L173 PolarHBondContact O-N 3.46Å; F170-L179 HydrophobicContact CD2-CD2 4.22Å; F170-L179 HydrophobicContact CE2-CD2 3.57Å; F170-L179 HydrophobicContact CZ-CD1 4.26Å; F170-L179 HydrophobicContact CZ-CD2 3.89Å; F170-L181 HydrophobicContact CZ-CD1 4.42Å; F170-L193 HydrophobicContact CD2-CD1 3.52Å; F170-L193 HydrophobicContact CD2-CD2 4.22Å; F170-L193 HydrophobicContact CD2-CG 3.7Å; F170-L193 HydrophobicContact CE2-CD1 3.83Å; F170-L193 HydrophobicContact CE2-CD2 3.89Å; F170-L193 HydrophobicContact CE2-CG 3.9Å; F170-L193 HydrophobicContact CG-CD1 4.17Å; F170-F194 HydrophobicContact CD2-CE1 4.34Å; F170-F194 HydrophobicContact CE2-CE1 4.25Å; F170-V197 HydrophobicContact CB-CG1 4.02Å
171	R	90.8	Very high	92	Very high	189 Å²	189	48 Å²	48	71%	0.713	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.6	-173.3	-179.7	177.3	177	-175	-1.8	114.1	G168 A196	G168-R171 WeakPolarHBondContact O-CB 3.14Å; G168-R171 PolarHBondContact O-N 3.09Å; R171-A196 VanDerWaalsContact O-CB 3.24Å; R171-A196 WeakPolarHBondContact O-CB 3.14Å
172	N	88.6	Confident	91.7	Very high	56 Å²	56	45.9 Å²	45.9	30%	0.299	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-5.8	-175.3	-57.1	-24.9	0	0	0	112.9	F170 S174	F170-N172 PolarHBondContact O-N 3.42Å; N172-S174 PolarHBondContact O-N 3.34Å
173	L	92.8	Very high	91.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.228	C	C	.	.			trans	-87.9	49.4	-171.3	-57.7	-175.9	0	0	0	112.5	F146 L149 L152 L155 F170 K175 L176 V197	F146-L173 HydrophobicContact CB-CD1 4.16Å; F146-L173 HydrophobicContact CB-CD2 3.98Å; F146-L173 HydrophobicContact CB-CG 4.36Å; F146-L173 HydrophobicContact CD2-CD1 4.43Å; F146-L173 HydrophobicContact CG-CD1 4.31Å; L149-L173 HydrophobicContact CB-CD2 3.72Å; L149-L173 WeakPolarHBondContact O-CD2 3.33Å; L152-L173 HydrophobicContact CB-CD2 4.21Å; L152-L173 HydrophobicContact CD2-CD1 4.37Å; L152-L173 HydrophobicContact CD2-CD2 4.18Å; L155-L173 HydrophobicContact CD2-CD1 4.35Å; F170-L173 HydrophobicContact CB-CD1 4.19Å; F170-L173 HydrophobicContact CD1-CD1 3.77Å; F170-L173 HydrophobicContact CG-CD1 4.34Å; F170-L173 PolarHBondContact O-N 3.46Å; L173-K175 PolarHBondContact O-N 3.28Å; L173-L176 HydrophobicContact CB-CB 4.04Å; L173-L176 HydrophobicContact CB-CD2 4.33Å; L173-L176 HydrophobicContact CD1-CD2 4.05Å; L173-L176 VanDerWaalsContact O-CB 3.23Å; L173-L176 WeakPolarHBondContact O-CB 3.3Å; L173-L176 PolarHBondContact O-N 3.39Å; L173-V197 HydrophobicContact CB-CG1 4.13Å; L173-V197 WeakPolarHBondContact O-CG1 2.91Å
174	S	90.1	Very high	91.5	Very high	77 Å²	77	43.9 Å²	43.9	54%	0.538	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.5	-166.6	67.3	0	0	0	0	116.2	E150 N172	E150-S174 PolarHBondContact O-OG 2.79Å; N172-S174 PolarHBondContact O-N 3.34Å
175	K	92	Very high	91.6	Very high	97 Å²	97	40 Å²	40	42%	0.422	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	1.3	179.6	-55.4	-173.5	-157.3	161.9	0	114	S151 L152 E153 L173 R177	S151-K175 PolarHBondContact OG-NZ 3.29Å; L152-K175 CarbonylContact O-C 3.11Å; E153-K175 HydrophobicContact CG-CB 4.32Å; L173-K175 PolarHBondContact O-N 3.28Å; K175-R177 PolarHBondContact O-N 2.8Å
176	L	93.3	Very high	91.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.			trans	-66.3	121.8	-172.2	-171.7	69.4	0	0	0	110.9	L152 L155 L173 V178 L179 V197 S198 L199	L152-L176 HydrophobicContact CD2-CD1 4.3Å; L152-L176 HydrophobicContact CG-CD1 4.38Å; L152-L176 WeakPolarHBondContact O-CA 3.48Å; L152-L176 PolarHBondContact O-N 3.27Å; L155-L176 HydrophobicContact CB-CD1 3.82Å; L173-L176 HydrophobicContact CB-CB 4.04Å; L173-L176 HydrophobicContact CB-CD2 4.33Å; L173-L176 HydrophobicContact CD1-CD2 4.05Å; L173-L176 VanDerWaalsContact O-CB 3.23Å; L173-L176 WeakPolarHBondContact O-CB 3.3Å; L173-L176 PolarHBondContact O-N 3.39Å; L176-V178 WeakPolarHBondContact CD1-O 3.13Å; L176-L179 HydrophobicContact CD2-CB 4.4Å; L176-V197 HydrophobicContact CB-CB 4.37Å; L176-V197 HydrophobicContact CB-CG1 4.21Å; L176-V197 HydrophobicContact CD2-CG1 4.43Å; L176-S198 CarbonylContact O-C 3.58Å; L176-S198 PolarHBondContact O-N 2.84Å; L176-L199 HydrophobicContact CB-CD2 4.46Å; L176-L199 HydrophobicContact CD2-CD2 3.98Å; L176-L199 HydrophobicContact CG-CD2 3.82Å
177	R	87.3	Confident	91.4	Very high	102 Å²	102	40 Å²	40	39%	0.385	21%	0.206	S	C	.	.			trans	-111.9	-37	179.6	-65.7	179.4	-175.7	-176.7	1.6	112.2	E153 K175 L199 T200 H201	E153-R177 PolarHBondContact O-N 2.97Å; K175-R177 PolarHBondContact O-N 2.8Å; R177-L199 CarbonylContact O-C 3.57Å; R177-L199 WeakPolarHBondContact O-CA 3.49Å; R177-T200 HydrophobicContact CB-CG2 4.46Å; R177-T200 PolarHBondContact O-N 2.9Å; R177-T200 PolarHBondContact O-OG1 2.81Å; R177-H201 PolarHBondContact O-N 3.23Å
178	V	87.1	Confident	91.4	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.8	-176.8	-178.5	0	0	0	0	109.6	E153 Y154 L155 L176 I180 H201	E153-V178 PolarHBondContact O-N 2.82Å; E153-V178 VanDerWaalsContact O-N 3.08Å; Y154-V178 HydrophobicContact CD2-CB 3.6Å; Y154-V178 HydrophobicContact CD2-CG1 3.57Å; Y154-V178 HydrophobicContact CD2-CG2 4.16Å; Y154-V178 HydrophobicContact CE2-CB 4.18Å; Y154-V178 HydrophobicContact CE2-CG1 3.6Å; Y154-V178 HydrophobicContact CG-CB 4.33Å; Y154-V178 HydrophobicContact CG-CG1 4.49Å; L155-V178 PolarHBondContact N-O 2.02Å; L176-V178 WeakPolarHBondContact CD1-O 3.13Å; V178-I180 HydrophobicContact CG1-CD1 4.13Å; V178-I180 HydrophobicContact CG1-CG1 4.06Å; V178-H201 WeakPolarHBondContact CA-O 3.31Å; V178-H201 HydrophobicContact CG1-CB 4.22Å; V178-H201 HydrophobicContact CG2-CB 4.2Å
179	L	93.9	Very high	91.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.5	177.7	177.6	59.4	0	0	0	109.9	L155 F170 L176 L181 F194 L199 H201 L202 D203	L155-L179 HydrophobicContact CB-CD1 4.09Å; L155-L179 HydrophobicContact CD2-CD1 3.92Å; L155-L179 HydrophobicContact CG-CD1 4.05Å; L155-L179 WeakPolarHBondContact O-CA 3.44Å; F170-L179 HydrophobicContact CD2-CD2 4.22Å; F170-L179 HydrophobicContact CE2-CD2 3.57Å; F170-L179 HydrophobicContact CZ-CD1 4.26Å; F170-L179 HydrophobicContact CZ-CD2 3.89Å; L176-L179 HydrophobicContact CD2-CB 4.4Å; L179-L181 HydrophobicContact CD1-CD1 4.02Å; L179-L181 HydrophobicContact CD1-CD2 4.14Å; L179-L181 HydrophobicContact CD1-CG 3.87Å; L179-L181 HydrophobicContact CD2-CD1 3.92Å; L179-L181 HydrophobicContact CG-CD1 3.9Å; L179-L181 HydrophobicContact CG-CG 3.99Å; L179-F194 HydrophobicContact CD2-CE1 3.99Å; L179-L199 HydrophobicContact CB-CD1 4.13Å; L179-L199 HydrophobicContact CB-CD2 3.8Å; L179-L199 HydrophobicContact CD2-CD1 4.03Å; L179-H201 PolarHBondContact N-O 2.68Å; L179-L202 HydrophobicContact CB-CD1 4.14Å; L179-L202 HydrophobicContact CD2-CD1 3.99Å; L179-L202 HydrophobicContact CG-CD1 4.05Å; L179-L202 WeakPolarHBondContact O-CA 3.4Å; L179-D203 PolarHBondContact O-N 3.2Å
180	I	89.6	Confident	91.5	Very high	32 Å²	32	41 Å²	41	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.6	-176.9	-61.8	173	0	0	0	108.5	Y154 L155 Q156 A157 D158 V178 N182 D203	Y154-I180 HydrophobicContact CE2-CD1 4.13Å; Y154-I180 WeakPolarHBondContact OH-CD1 3.35Å; L155-I180 PolarHBondContact O-N 2.83Å; Q156-I180 HydrophobicContact CB-CB 4.26Å; Q156-I180 HydrophobicContact CG-CB 4.17Å; Q156-I180 HydrophobicContact CG-CG2 4.1Å; A157-I180 PolarHBondContact N-O 3.22Å; D158-I180 HydrophobicContact CB-CG2 4.24Å; V178-I180 HydrophobicContact CG1-CD1 4.13Å; V178-I180 HydrophobicContact CG1-CG1 4.06Å; I180-N182 WeakPolarHBondContact CG2-OD1 3.28Å; I180-D203 HydrophobicContact CG2-CB 4.41Å
181	L	95.1	Very high	91.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.			trans	-135.5	20.8	-174.4	-64.6	175.1	0	0	0	112.3	F141 A157 I165 F170 L179 N184 D203 L204 N207	F141-L181 HydrophobicContact CE2-CD2 3.88Å; F141-L181 HydrophobicContact CZ-CD2 4.41Å; A157-L181 HydrophobicContact CB-CD2 4.11Å; I165-L181 HydrophobicContact CD1-CD1 4.11Å; F170-L181 HydrophobicContact CZ-CD1 4.42Å; L179-L181 HydrophobicContact CD1-CD1 4.02Å; L179-L181 HydrophobicContact CD1-CD2 4.14Å; L179-L181 HydrophobicContact CD1-CG 3.87Å; L179-L181 HydrophobicContact CD2-CD1 3.92Å; L179-L181 HydrophobicContact CG-CD1 3.9Å; L179-L181 HydrophobicContact CG-CG 3.99Å; L181-N184 PolarHBondContact O-ND2 3.41Å; L181-D203 CarbonylContact C-O 3.46Å; L181-D203 WeakPolarHBondContact CA-O 3Å; L181-D203 PolarHBondContact N-O 3.34Å; L181-L204 HydrophobicContact CB-CD2 4.12Å; L181-L204 HydrophobicContact CD1-CD2 4.2Å; L181-N207 PolarHBondContact O-ND2 3.2Å
182	N	89.3	Confident	91.1	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.064	21%	0.211	C	C	.	.			trans	-61.1	163.8	176.9	57.9	-74.7	0	0	0	112.3	D158 Y159 I180 N184 D203 R205	D158-N182 WeakPolarHBondContact CA-O 3.44Å; D158-N182 WeakPolarHBondContact CB-ND2 3.23Å; D158-N182 WeakPolarHBondContact CB-O 3.49Å; D158-N182 VanDerWaalsContact CB-OD1 3.28Å; D158-N182 WeakPolarHBondContact CB-OD1 3.27Å; Y159-N182 PolarHBondContact N-O 3.27Å; I180-N182 WeakPolarHBondContact CG2-OD1 3.28Å; N182-N184 PolarHBondContact O-N 3.38Å; N182-N184 PolarHBondContact O-ND2 3.06Å; N182-D203 PolarHBondContact OD1-OD2 2.95Å; N182-R205 CarbonylContact C-O 3.32Å; N182-R205 WeakPolarHBondContact CA-O 3.47Å; N182-R205 HydrophobicContact CB-CB 4.1Å
183	D	90	Very high	91.3	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.251	20%	0.197	S	C	.	.	S	Bend	trans	53.5	56.5	173.3	-60.5	-61.1	0	0	0	112.5	Y159 N160 R205	Y159-D183 WeakPolarHBondContact CA-O 3.11Å; Y159-D183 HydrophobicContact CD1-CB 4.04Å; Y159-D183 HydrophobicContact CD2-CB 3.97Å; Y159-D183 HydrophobicContact CE1-CB 3.89Å; Y159-D183 HydrophobicContact CE2-CB 3.78Å; Y159-D183 WeakPolarHBondContact CE2-OD2 3.46Å; Y159-D183 HydrophobicContact CG-CB 4.06Å; Y159-D183 PolarHBondContact N-O 2.97Å; Y159-D183 VanDerWaalsContact OH-CG 3.25Å; Y159-D183 PolarHBondContact OH-OD2 3.22Å; N160-D183 PolarHBondContact N-O 2.77Å; D183-R205 PolarHBondContact N-O 2.83Å
184	N	94.1	Very high	91.2	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.198	C	C	.	.	S	Bend	trans	-137.6	-178.7	-177.4	-93.4	-81.6	0	0	0	110.6	A157 N160 I162 L181 N182 I186 N207	A157-N184 PolarHBondContact O-ND2 2.95Å; N160-N184 WeakPolarHBondContact CB-OD1 3.35Å; N160-N184 PolarHBondContact O-OD1 3.24Å; I162-N184 WeakPolarHBondContact CB-OD1 3.48Å; I162-N184 WeakPolarHBondContact CD1-OD1 3.28Å; I162-N184 VanDerWaalsContact CG1-OD1 3.22Å; I162-N184 WeakPolarHBondContact CG1-OD1 3.34Å; I162-N184 PolarHBondContact N-OD1 2.83Å; L181-N184 PolarHBondContact O-ND2 3.41Å; N182-N184 PolarHBondContact O-N 3.38Å; N182-N184 PolarHBondContact O-ND2 3.06Å; N184-I186 HydrophobicContact CB-CD1 4.49Å; N184-I186 HydrophobicContact CB-CG1 4.38Å; N184-N207 VanDerWaalsContact C-OD1 3.31Å; N184-N207 WeakPolarHBondContact CB-OD1 3.49Å; N184-N207 WeakPolarHBondContact O-CA 3.47Å; N184-N207 PolarHBondContact O-OD1 2.91Å
185	L	93.8	Very high	91.1	Very high	66 Å²	66	39.2 Å²	39.2	35%	0.346	20%	0.2	S	C	.	.			trans	-111	21.6	-172.4	-61.4	177.9	0	0	0	113.7	V161 I162 K163 P187	V161-L185 HydrophobicContact CB-CD1 4.18Å; I162-L185 CarbonylContact O-C 3.55Å; I162-L185 VanDerWaalsContact O-CA 3.27Å; I162-L185 WeakPolarHBondContact O-CA 3.3Å; I162-L185 PolarHBondContact O-N 2.9Å; K163-L185 HydrophobicContact CG-CB 3.95Å; K163-L185 HydrophobicContact CG-CD1 4.32Å; L185-P187 VanDerWaalsContact O-CD 3.29Å; L185-P187 WeakPolarHBondContact O-CD 3.19Å
186	I	95.9	Very high	90.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.			trans	-71.4	117.9	-170.8	-55.3	167.7	0	0	0	110.1	I162 I165 N184 L189 N207 R208 L209	I162-I186 HydrophobicContact CB-CG1 4.37Å; I162-I186 HydrophobicContact CG2-CD1 4.43Å; I162-I186 HydrophobicContact CG2-CG1 4.1Å; I162-I186 WeakPolarHBondContact O-CG1 2.98Å; I162-I186 PolarHBondContact O-N 2.77Å; I162-I186 VanDerWaalsContact O-N 3.09Å; I165-I186 HydrophobicContact CD1-CD1 3.79Å; I165-I186 HydrophobicContact CG1-CD1 4.46Å; N184-I186 HydrophobicContact CB-CD1 4.49Å; N184-I186 HydrophobicContact CB-CG1 4.38Å; I186-L189 HydrophobicContact CG2-CD2 3.92Å; I186-L189 HydrophobicContact CG2-CG 4.49Å; I186-N207 VanDerWaalsContact CB-OD1 3.28Å; I186-N207 WeakPolarHBondContact CB-OD1 3.36Å; I186-N207 VanDerWaalsContact CG1-OD1 3.3Å; I186-N207 WeakPolarHBondContact CG1-OD1 3.26Å; I186-N207 PolarHBondContact N-OD1 3.41Å; I186-N207 VanDerWaalsContact N-OD1 3.15Å; I186-R208 CarbonylContact O-C 3.15Å; I186-R208 VanDerWaalsContact O-CA 3.28Å; I186-R208 WeakPolarHBondContact O-CA 3.28Å; I186-R208 WeakPolarHBondContact O-CB 3.42Å; I186-R208 PolarHBondContact O-N 3.13Å; I186-L209 HydrophobicContact CG2-CD2 3.99Å; I186-L209 PolarHBondContact O-N 3.36Å
187	P	89.9	Confident	90.7	Very high	64 Å²	64	37.3 Å²	37.3	42%	0.416	20%	0.201	S	C	.	.			trans	-89.7	-26.2	-177.8	34.5	-32.8	0	0	0	113.4	K163 L185 R208	K163-P187 WeakPolarHBondContact O-CD 3.2Å; L185-P187 VanDerWaalsContact O-CD 3.29Å; L185-P187 WeakPolarHBondContact O-CD 3.19Å; P187-R208 WeakPolarHBondContact CA-O 3.23Å; P187-R208 HydrophobicContact CB-CB 4.47Å
188	V	90.2	Very high	90.8	Very high	69 Å²	69	35.5 Å²	35.5	42%	0.418	20%	0.204	S	C	.	.			trans	-159.5	146.5	179.2	67.4	0	0	0	0	109.2	F213	V188-F213 HydrophobicContact CG2-CE2 4.14Å
189	L	92.6	Very high	90.8	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-93.7	138.6	172.9	-66.2	170.7	0	0	0	110.3	I165 I186 L193 F194 L204 L209 L212 M217	I165-L189 HydrophobicContact CD1-CD2 4.22Å; I186-L189 HydrophobicContact CG2-CD2 3.92Å; I186-L189 HydrophobicContact CG2-CG 4.49Å; L189-L193 HydrophobicContact CD2-CD2 4.03Å; L189-F194 HydrophobicContact CD1-CE2 4.1Å; L189-F194 HydrophobicContact CD1-CZ 4.19Å; L189-L204 HydrophobicContact CD1-CD1 3.91Å; L189-L204 HydrophobicContact CD1-CD2 4.38Å; L189-L209 HydrophobicContact CG-CD2 4.13Å; L189-L212 HydrophobicContact CD1-CD2 4.05Å; L189-M217 HydrophobicContact CB-CE 3.73Å; L189-M217 HydrophobicContact CB-SD 4.09Å; L189-M217 HydrophobicContact CD1-SD 4.45Å; L189-M217 WeakPolarHBondContact O-CE 3.47Å
190	P	91.2	Very high	90.3	Very high	31 Å²	31	36.2 Å²	36.2	20%	0.201	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-70.2	152.8	177.1	30.1	-38.2	0	0	0	112.7	I165 L193	I165-P190 WeakPolarHBondContact O-CG 3.43Å; P190-L193 HydrophobicContact CG-CB 4.18Å; P190-L193 HydrophobicContact CG-CD1 4.31Å; P190-L193 HydrophobicContact CG-CD2 4.16Å; P190-L193 HydrophobicContact CG-CG 4.46Å; P190-L193 WeakPolarHBondContact O-CB 3.47Å
191	T	88.8	Confident	89.8	Confident	72 Å²	72	35.8 Å²	35.8	44%	0.442	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	147.9	174.2	59.7	0	0	0	0	112.2	S167 L193	S167-T191 VanDerWaalsContact CB-O 3.31Å; S167-T191 WeakPolarHBondContact CB-O 3.28Å; T191-L193 PolarHBondContact O-N 2.96Å
192	N	88.4	Confident	89.5	Confident	69 Å²	69	35.9 Å²	35.9	37%	0.369	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	8.6	-176.2	-57.1	-88.2	0	0	0	115.5	F194 K195 G216	N192-F194 VanDerWaalsContact C-N 3.28Å; N192-F194 PolarHBondContact O-N 3.09Å; N192-K195 HydrophobicContact CB-CB 4.24Å; N192-K195 HydrophobicContact CB-CD 4.25Å; N192-K195 WeakPolarHBondContact O-CB 3.45Å; N192-K195 PolarHBondContact O-N 2.82Å; N192-G216 VanDerWaalsContact CA-O 3.26Å; N192-G216 WeakPolarHBondContact CA-O 3.14Å; N192-G216 PolarHBondContact N-O 2.77Å
193	L	91.1	Very high	89.3	Confident	3 Å²	3	36 Å²	36	2%	0.016	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-43.6	-179.3	-177.2	58.9	0	0	0	113.5	I165 A169 F170 L189 P190 T191 K195	I165-L193 HydrophobicContact CG2-CD1 3.69Å; I165-L193 HydrophobicContact CG2-CD2 4.02Å; A169-L193 HydrophobicContact CB-CD1 4.46Å; F170-L193 HydrophobicContact CD2-CD1 3.52Å; F170-L193 HydrophobicContact CD2-CD2 4.22Å; F170-L193 HydrophobicContact CD2-CG 3.7Å; F170-L193 HydrophobicContact CE2-CD1 3.83Å; F170-L193 HydrophobicContact CE2-CD2 3.89Å; F170-L193 HydrophobicContact CE2-CG 3.9Å; F170-L193 HydrophobicContact CG-CD1 4.17Å; L189-L193 HydrophobicContact CD2-CD2 4.03Å; P190-L193 HydrophobicContact CG-CB 4.18Å; P190-L193 HydrophobicContact CG-CD1 4.31Å; P190-L193 HydrophobicContact CG-CD2 4.16Å; P190-L193 HydrophobicContact CG-CG 4.46Å; P190-L193 WeakPolarHBondContact O-CB 3.47Å; T191-L193 PolarHBondContact O-N 2.96Å; L193-K195 VanDerWaalsContact C-N 3.34Å
194	F	90.9	Very high	89.5	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.018	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	7.2	-176.4	-55.7	-68.1	0	0	0	113.8	F170 L179 L189 N192 A196 V197 L199 L202 M217 H220 I221	F170-F194 HydrophobicContact CD2-CE1 4.34Å; F170-F194 HydrophobicContact CE2-CE1 4.25Å; L179-F194 HydrophobicContact CD2-CE1 3.99Å; L189-F194 HydrophobicContact CD1-CE2 4.1Å; L189-F194 HydrophobicContact CD1-CZ 4.19Å; N192-F194 VanDerWaalsContact C-N 3.28Å; N192-F194 PolarHBondContact O-N 3.09Å; F194-A196 PolarHBondContact O-N 2.78Å; F194-V197 HydrophobicContact CB-CG2 4.13Å; F194-V197 HydrophobicContact CD1-CG2 4.03Å; F194-V197 PolarHBondContact O-N 2.9Å; F194-L199 HydrophobicContact CD1-CD1 3.66Å; F194-L199 HydrophobicContact CE1-CD1 3.74Å; F194-L202 HydrophobicContact CE1-CD2 4.36Å; F194-L202 HydrophobicContact CZ-CD2 4.13Å; F194-M217 HydrophobicContact CD2-CG 4.19Å; F194-M217 HydrophobicContact CE2-CG 4.2Å; F194-H220 HydrophobicContact CB-CB 4.36Å; F194-I221 HydrophobicContact CB-CG1 4.01Å; F194-I221 HydrophobicContact CD2-CD1 3.58Å; F194-I221 HydrophobicContact CD2-CG1 3.74Å; F194-I221 HydrophobicContact CE2-CD1 3.8Å; F194-I221 HydrophobicContact CE2-CG1 4.39Å; F194-I221 HydrophobicContact CG-CD1 4.2Å; F194-I221 HydrophobicContact CG-CG1 3.87Å
195	K	88.9	Confident	89.2	Confident	137 Å²	137	37.1 Å²	37.1	60%	0.596	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.5	-172.7	179.7	169.1	179.4	176	0	114.8	N192 L193	N192-K195 HydrophobicContact CB-CB 4.24Å; N192-K195 HydrophobicContact CB-CD 4.25Å; N192-K195 WeakPolarHBondContact O-CB 3.45Å; N192-K195 PolarHBondContact O-N 2.82Å; L193-K195 VanDerWaalsContact C-N 3.34Å
196	A	86.6	Confident	88.9	Confident	41 Å²	41	34.8 Å²	34.8	34%	0.339	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	2.9	-176.7	0	0	0	0	0	114.1	R171 F194	R171-A196 VanDerWaalsContact O-CB 3.24Å; R171-A196 WeakPolarHBondContact O-CB 3.14Å; F194-A196 PolarHBondContact O-N 2.78Å
197	V	90.6	Very high	88.9	Confident	17 Å²	17	34.8 Å²	34.8	10%	0.103	20%	0.2	C	C	.	.			trans	-126.9	160.7	-174.2	-56	0	0	0	0	111	F170 L173 L176 F194 L199	F170-V197 HydrophobicContact CB-CG1 4.02Å; L173-V197 HydrophobicContact CB-CG1 4.13Å; L173-V197 WeakPolarHBondContact O-CG1 2.91Å; L176-V197 HydrophobicContact CB-CB 4.37Å; L176-V197 HydrophobicContact CB-CG1 4.21Å; L176-V197 HydrophobicContact CD2-CG1 4.43Å; F194-V197 HydrophobicContact CB-CG2 4.13Å; F194-V197 HydrophobicContact CD1-CG2 4.03Å; F194-V197 PolarHBondContact O-N 2.9Å; V197-L199 HydrophobicContact CG2-CD1 4.43Å; V197-L199 HydrophobicContact CG2-CD2 4.45Å; V197-L199 HydrophobicContact CG2-CG 4.02Å
198	S	87.9	Confident	89.1	Confident	63 Å²	63	38.4 Å²	38.4	44%	0.441	21%	0.205	S	C	.	.			trans	-131.1	74.4	-178.6	-173.9	0	0	0	0	109.7	L176 S224	L176-S198 CarbonylContact O-C 3.58Å; L176-S198 PolarHBondContact O-N 2.84Å; S198-S224 WeakPolarHBondContact OG-CB 3.23Å; S198-S224 PolarHBondContact OG-OG 3.03Å
199	L	87.8	Confident	89.2	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.026	19%	0.185	C	C	.	.			trans	-69.6	130.3	-175.2	-61.8	177.3	0	0	0	111.5	L176 R177 L179 F194 V197 L202 S224 L225	L176-L199 HydrophobicContact CB-CD2 4.46Å; L176-L199 HydrophobicContact CD2-CD2 3.98Å; L176-L199 HydrophobicContact CG-CD2 3.82Å; R177-L199 CarbonylContact O-C 3.57Å; R177-L199 WeakPolarHBondContact O-CA 3.49Å; L179-L199 HydrophobicContact CB-CD1 4.13Å; L179-L199 HydrophobicContact CB-CD2 3.8Å; L179-L199 HydrophobicContact CD2-CD1 4.03Å; F194-L199 HydrophobicContact CD1-CD1 3.66Å; F194-L199 HydrophobicContact CE1-CD1 3.74Å; V197-L199 HydrophobicContact CG2-CD1 4.43Å; V197-L199 HydrophobicContact CG2-CD2 4.45Å; V197-L199 HydrophobicContact CG2-CG 4.02Å; L199-L202 HydrophobicContact CD1-CB 4.32Å; L199-L202 HydrophobicContact CD1-CD1 4.21Å; L199-L202 HydrophobicContact CD1-CD2 4.13Å; L199-L202 HydrophobicContact CD1-CG 4.47Å; L199-S224 CarbonylContact O-C 3.34Å; L199-L225 WeakPolarHBondContact O-CA 3.42Å; L199-L225 PolarHBondContact O-N 3.41Å
200	T	83.1	Confident	89.1	Confident	20 Å²	20	40.5 Å²	40.5	12%	0.123	21%	0.208	C	C	.	.	S	Bend	trans	-95.2	-30.7	166.6	63.4	0	0	0	0	111.4	R177 S224 M226 E227	R177-T200 HydrophobicContact CB-CG2 4.46Å; R177-T200 PolarHBondContact O-N 2.9Å; R177-T200 PolarHBondContact O-OG1 2.81Å; T200-S224 WeakPolarHBondContact CA-O 3.5Å; T200-M226 WeakPolarHBondContact O-CA 3.08Å; T200-M226 WeakPolarHBondContact O-CB 3.44Å; T200-M226 PolarHBondContact O-N 2.82Å; T200-E227 PolarHBondContact O-N 3.03Å
201	H	79.7	Confident	89	Confident	22 Å²	22	39.7 Å²	39.7	10%	0.102	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.7	177.8	-56.4	66.1	0	0	0	110.1	R177 V178 L179 E227	R177-H201 PolarHBondContact O-N 3.23Å; V178-H201 WeakPolarHBondContact CA-O 3.31Å; V178-H201 HydrophobicContact CG1-CB 4.22Å; V178-H201 HydrophobicContact CG2-CB 4.2Å; L179-H201 PolarHBondContact N-O 2.68Å; H201-E227 WeakPolarHBondContact CA-O 3.41Å; H201-E227 IonicContact CD2-OE2 3.49Å
202	L	88.7	Confident	89	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	115	178.6	175.6	54.6	0	0	0	110.5	L179 F194 L199 L204 I221 L225 E227 L228 Q229	L179-L202 HydrophobicContact CB-CD1 4.14Å; L179-L202 HydrophobicContact CD2-CD1 3.99Å; L179-L202 HydrophobicContact CG-CD1 4.05Å; L179-L202 WeakPolarHBondContact O-CA 3.4Å; F194-L202 HydrophobicContact CE1-CD2 4.36Å; F194-L202 HydrophobicContact CZ-CD2 4.13Å; L199-L202 HydrophobicContact CD1-CB 4.32Å; L199-L202 HydrophobicContact CD1-CD1 4.21Å; L199-L202 HydrophobicContact CD1-CD2 4.13Å; L199-L202 HydrophobicContact CD1-CG 4.47Å; L202-L204 HydrophobicContact CD1-CD1 4.16Å; L202-L204 HydrophobicContact CD1-CD2 4.34Å; L202-L204 HydrophobicContact CD1-CG 3.93Å; L202-L204 HydrophobicContact CD2-CD1 3.95Å; L202-L204 HydrophobicContact CG-CD1 3.94Å; L202-L204 HydrophobicContact CG-CG 4.08Å; L202-I221 HydrophobicContact CD2-CD1 4.25Å; L202-L225 HydrophobicContact CB-CD1 4.33Å; L202-E227 PolarHBondContact N-O 2.8Å; L202-L228 HydrophobicContact CB-CD1 4.02Å; L202-L228 HydrophobicContact CD2-CD1 3.95Å; L202-L228 HydrophobicContact CG-CD1 3.86Å; L202-L228 WeakPolarHBondContact O-CA 3.48Å; L202-Q229 PolarHBondContact O-N 3.15Å
203	D	85.4	Confident	88.8	Confident	13 Å²	13	36.5 Å²	36.5	7%	0.07	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.9	174.3	-170	-0.4	0	0	0	110.8	L179 I180 L181 N182 R205 Q229	L179-D203 PolarHBondContact O-N 3.2Å; I180-D203 HydrophobicContact CG2-CB 4.41Å; L181-D203 CarbonylContact C-O 3.46Å; L181-D203 WeakPolarHBondContact CA-O 3Å; L181-D203 PolarHBondContact N-O 3.34Å; N182-D203 PolarHBondContact OD1-OD2 2.95Å; D203-R205 WeakPolarHBondContact OD1-CB 3.26Å; D203-R205 WeakPolarHBondContact OD1-CG 3.42Å; D203-R205 IonicContact OD1-CZ 2.72Å; D203-R205 PolarHBondContact OD1-N 2.95Å; D203-R205 IonicContact OD1-NE 3.13Å; D203-R205 PolarHBondContact OD1-NE 2.93Å; D203-R205 IonicContact OD1-NH2 3.9Å; D203-R205 IonicContact OD2-CZ 2.82Å; D203-R205 IonicContact OD2-NE 2.77Å; D203-R205 PolarHBondContact OD2-NE 3.21Å; D203-R205 IonicContact OD2-NH2 2.65Å; D203-R205 PolarHBondContact OD2-NH2 3.01Å; D203-Q229 HydrophobicContact CB-CB 4.43Å; D203-Q229 VanDerWaalsContact CG-OE1 3.32Å; D203-Q229 WeakPolarHBondContact OD1-CB 3.18Å; D203-Q229 PolarHBondContact OD2-OE1 3.23Å
204	L	93.3	Very high	88.4	Confident	3 Å²	3	38 Å²	38	2%	0.016	19%	0.185	C	C	.	.			trans	-127.9	16.8	-179.3	-71.3	166.8	0	0	0	112.1	L181 L189 L202 N207 L209 Q229 L230 N233	L181-L204 HydrophobicContact CB-CD2 4.12Å; L181-L204 HydrophobicContact CD1-CD2 4.2Å; L189-L204 HydrophobicContact CD1-CD1 3.91Å; L189-L204 HydrophobicContact CD1-CD2 4.38Å; L202-L204 HydrophobicContact CD1-CD1 4.16Å; L202-L204 HydrophobicContact CD1-CD2 4.34Å; L202-L204 HydrophobicContact CD1-CG 3.93Å; L202-L204 HydrophobicContact CD2-CD1 3.95Å; L202-L204 HydrophobicContact CG-CD1 3.94Å; L202-L204 HydrophobicContact CG-CG 4.08Å; L204-N207 WeakPolarHBondContact O-CB 3.4Å; L204-N207 PolarHBondContact O-ND2 3.49Å; L204-L209 HydrophobicContact CB-CD1 4.13Å; L204-L209 HydrophobicContact CD1-CD1 4.23Å; L204-Q229 PolarHBondContact N-O 3Å; L204-L230 HydrophobicContact CB-CD2 4.16Å; L204-L230 HydrophobicContact CD1-CD2 4.05Å; L204-N233 PolarHBondContact O-ND2 2.04Å
205	R	89.4	Confident	87.9	Confident	72 Å²	72	46.4 Å²	46.4	27%	0.272	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	159.7	-177.6	-70.1	177.5	-68.2	145.4	-6.9	113.7	N182 D183 D203 N207 Q229 E231	N182-R205 CarbonylContact C-O 3.32Å; N182-R205 WeakPolarHBondContact CA-O 3.47Å; N182-R205 HydrophobicContact CB-CB 4.1Å; D183-R205 PolarHBondContact N-O 2.83Å; D203-R205 WeakPolarHBondContact OD1-CB 3.26Å; D203-R205 WeakPolarHBondContact OD1-CG 3.42Å; D203-R205 IonicContact OD1-CZ 2.72Å; D203-R205 PolarHBondContact OD1-N 2.95Å; D203-R205 IonicContact OD1-NE 3.13Å; D203-R205 PolarHBondContact OD1-NE 2.93Å; D203-R205 IonicContact OD1-NH2 3.9Å; D203-R205 IonicContact OD2-CZ 2.82Å; D203-R205 IonicContact OD2-NE 2.77Å; D203-R205 PolarHBondContact OD2-NE 3.21Å; D203-R205 IonicContact OD2-NH2 2.65Å; D203-R205 PolarHBondContact OD2-NH2 3.01Å; R205-N207 PolarHBondContact O-N 2.88Å; R205-N207 PolarHBondContact O-ND2 3.35Å; R205-Q229 HydrophobicContact CG-CB 3.79Å; R205-E231 WeakPolarHBondContact CA-O 3.15Å; R205-E231 WeakPolarHBondContact CD-OE2 3.4Å; R205-E231 HydrophobicContact CG-CB 3.92Å; R205-E231 WeakPolarHBondContact CG-OE2 3.49Å
206	G	87.2	Confident	87.4	Confident	18 Å²	18	40.2 Å²	40.2	19%	0.186	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	19	174	0	0	0	0	0	114.7	E231	G206-E231 PolarHBondContact N-O 3.27Å
207	N	94.8	Very high	87.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-94.5	-171.5	179.9	-87.8	-91.3	0	0	0	111.6	L181 N184 I186 L204 R205 L209 N233 P234	L181-N207 PolarHBondContact O-ND2 3.2Å; N184-N207 VanDerWaalsContact C-OD1 3.31Å; N184-N207 WeakPolarHBondContact CB-OD1 3.49Å; N184-N207 WeakPolarHBondContact O-CA 3.47Å; N184-N207 PolarHBondContact O-OD1 2.91Å; I186-N207 VanDerWaalsContact CB-OD1 3.28Å; I186-N207 WeakPolarHBondContact CB-OD1 3.36Å; I186-N207 VanDerWaalsContact CG1-OD1 3.3Å; I186-N207 WeakPolarHBondContact CG1-OD1 3.26Å; I186-N207 PolarHBondContact N-OD1 3.41Å; I186-N207 VanDerWaalsContact N-OD1 3.15Å; L204-N207 WeakPolarHBondContact O-CB 3.4Å; L204-N207 PolarHBondContact O-ND2 3.49Å; R205-N207 PolarHBondContact O-N 2.88Å; R205-N207 PolarHBondContact O-ND2 3.35Å; N207-L209 HydrophobicContact CB-CG 4.27Å; N207-N233 WeakPolarHBondContact CA-OD1 3.49Å; N207-N233 WeakPolarHBondContact CB-OD1 3.48Å; N207-N233 PolarHBondContact O-OD1 2.72Å; N207-P234 VanDerWaalsContact O-CD 3.3Å; N207-P234 WeakPolarHBondContact O-CD 3.34Å
208	R	94	Very high	86.9	Confident	139 Å²	139	37.6 Å²	37.6	53%	0.525	17%	0.171	S	C	.	.			trans	-109.4	20.1	-178.7	-58.2	-55.4	-171.4	-174	2.6	113	I186 P187 K210 N233	I186-R208 CarbonylContact O-C 3.15Å; I186-R208 VanDerWaalsContact O-CA 3.28Å; I186-R208 WeakPolarHBondContact O-CA 3.28Å; I186-R208 WeakPolarHBondContact O-CB 3.42Å; I186-R208 PolarHBondContact O-N 3.13Å; P187-R208 WeakPolarHBondContact CA-O 3.23Å; P187-R208 HydrophobicContact CB-CB 4.47Å; R208-K210 PolarHBondContact O-N 2.84Å; R208-N233 PolarHBondContact N-OD1 2.96Å
209	L	93.3	Very high	86.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.163	C	C	.	.			trans	-64.6	130.2	-176.9	-57.5	171.5	0	0	0	110.8	I186 L189 L204 N207 L212 N233 P234 W235	I186-L209 HydrophobicContact CG2-CD2 3.99Å; I186-L209 PolarHBondContact O-N 3.36Å; L189-L209 HydrophobicContact CG-CD2 4.13Å; L204-L209 HydrophobicContact CB-CD1 4.13Å; L204-L209 HydrophobicContact CD1-CD1 4.23Å; N207-L209 HydrophobicContact CB-CG 4.27Å; L209-L212 HydrophobicContact CD1-CD2 4.42Å; L209-N233 HydrophobicContact CB-CB 4.32Å; L209-N233 WeakPolarHBondContact CB-OD1 3.41Å; L209-N233 VanDerWaalsContact CG-OD1 3.31Å; L209-N233 WeakPolarHBondContact CG-OD1 3.04Å; L209-N233 PolarHBondContact N-OD1 3.44Å; L209-P234 CarbonylContact O-C 3.23Å; L209-P234 WeakPolarHBondContact O-CD 3.34Å; L209-W235 HydrophobicContact CB-CH2 3.66Å; L209-W235 HydrophobicContact CB-CZ2 4.24Å; L209-W235 HydrophobicContact CB-CZ3 3.97Å; L209-W235 HydrophobicContact CD1-CH2 4.09Å
210	K	89.4	Confident	86.3	Confident	119 Å²	119	39.5 Å²	39.5	52%	0.517	18%	0.175	S	C	.	.			trans	-104.8	-33.8	176.7	-61	-167.6	177	-172.7	0	113.3	R208 N236	R208-K210 PolarHBondContact O-N 2.84Å; K210-N236 HydrophobicContact CB-CB 4.03Å; K210-N236 PolarHBondContact O-N 3.17Å
211	V	89.1	Confident	86	Confident	14 Å²	14	39 Å²	39	9%	0.085	17%	0.171	C	C	.	.			trans	-149.7	151.8	-176.7	-73.6	0	0	0	0	110.2	F213 E240 I241	V211-F213 HydrophobicContact CG2-CE2 4.28Å; V211-F213 HydrophobicContact CG2-CZ 4.01Å; V211-E240 HydrophobicContact CG1-CB 3.88Å; V211-I241 HydrophobicContact CB-CD1 4.35Å; V211-I241 HydrophobicContact CG1-CD1 3.98Å
212	L	88.9	Confident	85.3	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	17%	0.173	C	C	.	.			trans	-124.9	127.6	169	-65.3	174.5	0	0	0	109.1	L189 L209 M217 L218 L230 W235 L244	L189-L212 HydrophobicContact CD1-CD2 4.05Å; L209-L212 HydrophobicContact CD1-CD2 4.42Å; L212-M217 HydrophobicContact CB-SD 4.2Å; L212-M217 HydrophobicContact CD2-SD 3.64Å; L212-M217 HydrophobicContact CG-SD 4.49Å; L212-L218 HydrophobicContact CB-CD1 4.12Å; L212-L218 HydrophobicContact CB-CD2 4.31Å; L212-L218 HydrophobicContact CB-CG 4.38Å; L212-L218 HydrophobicContact CD1-CD2 4.28Å; L212-L230 HydrophobicContact CD1-CD1 4.25Å; L212-L230 HydrophobicContact CD1-CD2 3.91Å; L212-W235 HydrophobicContact CD1-CH2 3.76Å; L212-W235 HydrophobicContact CD1-CZ3 4.28Å; L212-W235 HydrophobicContact CD2-CH2 4.49Å; L212-W235 HydrophobicContact CG-CH2 3.78Å; L212-W235 HydrophobicContact CG-CZ3 3.88Å; L212-L244 HydrophobicContact CB-CD1 4.3Å; L212-L244 HydrophobicContact CB-CD2 4.32Å; L212-L244 HydrophobicContact CD1-CD1 4.09Å; L212-L244 HydrophobicContact CD1-CD2 4.22Å; L212-L244 HydrophobicContact CG-CD2 4.47Å
213	F	84.9	Confident	84.4	Confident	70 Å²	70	49 Å²	49	31%	0.307	21%	0.212	S	C	.	.			trans	-82.9	144.2	-178.1	-61.7	-73.6	0	0	0	111.1	V188 V211 M217 L218	V188-F213 HydrophobicContact CG2-CE2 4.14Å; V211-F213 HydrophobicContact CG2-CE2 4.28Å; V211-F213 HydrophobicContact CG2-CZ 4.01Å; F213-M217 HydrophobicContact CD2-CE 4.34Å; F213-M217 WeakPolarHBondContact O-CB 3.24Å; F213-L218 WeakPolarHBondContact O-CG 3.2Å; F213-L218 PolarHBondContact O-N 3.44Å
214	Y	82.1	Confident	83.7	Confident	34 Å²	34	50.1 Å²	50.1	13%	0.133	22%	0.221	C	C	.	.	I	π-helix	trans	-71.5	-53.7	176.8	176.5	-100.7	0	0	0	111	G216 M217 L218 D219 W247 I296	Y214-G216 PolarHBondContact O-N 3.13Å; Y214-M217 PolarHBondContact O-N 3.05Å; Y214-L218 HydrophobicContact CD2-CB 4.42Å; Y214-L218 PolarHBondContact O-N 3.16Å; Y214-D219 HydrophobicContact CE1-CB 4.25Å; Y214-D219 HydrophobicContact CE2-CB 4.47Å; Y214-D219 VanDerWaalsContact O-CG 3.28Å; Y214-D219 PolarHBondContact O-N 3.33Å; Y214-D219 VanDerWaalsContact O-N 3.11Å; Y214-W247 HydrophobicContact CD2-CB 4.21Å; Y214-W247 HydrophobicContact CD2-CG 4.48Å; Y214-W247 AromaticContact CE2-CD1 3.94Å; Y214-I296 HydrophobicContact CD1-CG1 4.02Å; Y214-I296 HydrophobicContact CE1-CG1 4.08Å; Y214-I296 HydrophobicContact CG-CG1 4.5Å
215	R	81.3	Confident	82.9	Confident	181 Å²	181	50.3 Å²	50.3	68%	0.683	22%	0.222	S	C	*	.	I	π-helix	trans	-73.5	120.6	-172.1	-173.1	177.1	-177.3	176	1.4	111.7	M217	R215-M217 VanDerWaalsContact C-N 3.35Å
216	G	78.1	Confident	82.1	Confident	6 Å²	6	51.4 Å²	51.4	6%	0.062	23%	0.231	C	C	.	.	I	π-helix	trans	76.1	12.8	-178.1	0	0	0	0	0	114.9	N192 Y214 D219	N192-G216 VanDerWaalsContact CA-O 3.26Å; N192-G216 WeakPolarHBondContact CA-O 3.14Å; N192-G216 PolarHBondContact N-O 2.77Å; Y214-G216 PolarHBondContact O-N 3.13Å; G216-D219 VanDerWaalsContact C-OD1 3.22Å; G216-D219 VanDerWaalsContact CA-OD1 3.28Å; G216-D219 WeakPolarHBondContact CA-OD1 3.29Å; G216-D219 PolarHBondContact N-OD1 2.91Å; G216-D219 PolarHBondContact N-OD2 3.21Å
217	M	83.8	Confident	81.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	23%	0.234	C	C	.	.	I	π-helix	trans	-142.6	-75.5	177.4	-176.7	-168.2	-55.6	0	0	111.2	L189 F194 L212 F213 Y214 R215 D219 H220 I221	L189-M217 HydrophobicContact CB-CE 3.73Å; L189-M217 HydrophobicContact CB-SD 4.09Å; L189-M217 HydrophobicContact CD1-SD 4.45Å; L189-M217 WeakPolarHBondContact O-CE 3.47Å; F194-M217 HydrophobicContact CD2-CG 4.19Å; F194-M217 HydrophobicContact CE2-CG 4.2Å; L212-M217 HydrophobicContact CB-SD 4.2Å; L212-M217 HydrophobicContact CD2-SD 3.64Å; L212-M217 HydrophobicContact CG-SD 4.49Å; F213-M217 HydrophobicContact CD2-CE 4.34Å; F213-M217 WeakPolarHBondContact O-CB 3.24Å; Y214-M217 PolarHBondContact O-N 3.05Å; R215-M217 VanDerWaalsContact C-N 3.35Å; M217-D219 VanDerWaalsContact C-N 3.28Å; M217-D219 PolarHBondContact N-OD1 3.05Å; M217-D219 PolarHBondContact O-N 3.3Å; M217-H220 PolarHBondContact O-N 3.25Å; M217-I221 HydrophobicContact CG-CD1 4.48Å; M217-I221 WeakPolarHBondContact O-CG1 3.44Å; M217-I221 PolarHBondContact O-N 3.41Å
218	L	82.9	Confident	80.9	Confident	2 Å²	2	53 Å²	53	1%	0.01	23%	0.234	C	C	.	.	I	π-helix	trans	-67.8	-29.1	-178.5	-60.5	171.9	0	0	0	112.5	L212 F213 Y214 H220 I221 G222 L244 W247	L212-L218 HydrophobicContact CB-CD1 4.12Å; L212-L218 HydrophobicContact CB-CD2 4.31Å; L212-L218 HydrophobicContact CB-CG 4.38Å; L212-L218 HydrophobicContact CD1-CD2 4.28Å; F213-L218 WeakPolarHBondContact O-CG 3.2Å; F213-L218 PolarHBondContact O-N 3.44Å; Y214-L218 HydrophobicContact CD2-CB 4.42Å; Y214-L218 PolarHBondContact O-N 3.16Å; L218-H220 PolarHBondContact O-N 2.6Å; L218-I221 HydrophobicContact CD2-CD1 4.36Å; L218-I221 PolarHBondContact O-N 2.56Å; L218-G222 PolarHBondContact O-N 3.38Å; L218-L244 HydrophobicContact CD1-CB 4.29Å; L218-L244 HydrophobicContact CD1-CD1 3.8Å; L218-L244 HydrophobicContact CD2-CD1 4.26Å; L218-W247 HydrophobicContact CB-CB 4.44Å; L218-W247 HydrophobicContact CB-CD2 3.9Å; L218-W247 HydrophobicContact CB-CG 3.76Å; L218-W247 HydrophobicContact CB-CZ2 4.49Å; L218-W247 HydrophobicContact CD1-CB 4Å; L218-W247 HydrophobicContact CD1-CD2 4.17Å; L218-W247 HydrophobicContact CD1-CE3 4.36Å; L218-W247 HydrophobicContact CD1-CG 4.04Å; L218-W247 HydrophobicContact CD2-CD2 4.04Å; L218-W247 HydrophobicContact CD2-CE3 4Å; L218-W247 HydrophobicContact CD2-CH2 4.19Å; L218-W247 HydrophobicContact CD2-CZ2 4.23Å; L218-W247 HydrophobicContact CD2-CZ3 4.08Å; L218-W247 HydrophobicContact CG-CD2 4.26Å; L218-W247 HydrophobicContact CG-CG 4.37Å; L218-W247 PolarHBondContact O-NE1 2.7Å
219	D	82.4	Confident	80.4	Confident	49 Å²	49	48.3 Å²	48.3	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-60.5	-26.4	172.5	62.2	-12.4	0	0	0	114.4	Y214 G216 M217	Y214-D219 HydrophobicContact CE1-CB 4.25Å; Y214-D219 HydrophobicContact CE2-CB 4.47Å; Y214-D219 VanDerWaalsContact O-CG 3.28Å; Y214-D219 PolarHBondContact O-N 3.33Å; Y214-D219 VanDerWaalsContact O-N 3.11Å; G216-D219 VanDerWaalsContact C-OD1 3.22Å; G216-D219 VanDerWaalsContact CA-OD1 3.28Å; G216-D219 WeakPolarHBondContact CA-OD1 3.29Å; G216-D219 PolarHBondContact N-OD1 2.91Å; G216-D219 PolarHBondContact N-OD2 3.21Å; M217-D219 VanDerWaalsContact C-N 3.28Å; M217-D219 PolarHBondContact N-OD1 3.05Å; M217-D219 PolarHBondContact O-N 3.3Å
220	H	81.6	Confident	80.2	Confident	59 Å²	59	48.3 Å²	48.3	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-89.9	-35.2	176	-66.6	79.8	0	0	0	112.6	F194 M217 L218	F194-H220 HydrophobicContact CB-CB 4.36Å; M217-H220 PolarHBondContact O-N 3.25Å; L218-H220 PolarHBondContact O-N 2.6Å
221	I	76.7	Confident	80	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-72.3	-43.2	-175.3	-60.5	162.1	0	0	0	112.2	F194 L202 M217 L218 R223 L225 W247	F194-I221 HydrophobicContact CB-CG1 4.01Å; F194-I221 HydrophobicContact CD2-CD1 3.58Å; F194-I221 HydrophobicContact CD2-CG1 3.74Å; F194-I221 HydrophobicContact CE2-CD1 3.8Å; F194-I221 HydrophobicContact CE2-CG1 4.39Å; F194-I221 HydrophobicContact CG-CD1 4.2Å; F194-I221 HydrophobicContact CG-CG1 3.87Å; L202-I221 HydrophobicContact CD2-CD1 4.25Å; M217-I221 HydrophobicContact CG-CD1 4.48Å; M217-I221 WeakPolarHBondContact O-CG1 3.44Å; M217-I221 PolarHBondContact O-N 3.41Å; L218-I221 HydrophobicContact CD2-CD1 4.36Å; L218-I221 PolarHBondContact O-N 2.56Å; I221-R223 PolarHBondContact O-N 2.69Å; I221-L225 HydrophobicContact CG2-CB 4.25Å; I221-L225 HydrophobicContact CG2-CD1 3.85Å; I221-L225 HydrophobicContact CG2-CD2 3.59Å; I221-L225 HydrophobicContact CG2-CG 4.11Å; I221-W247 HydrophobicContact CB-CZ2 4.47Å; I221-W247 HydrophobicContact CG2-CZ2 4.42Å
222	G	63.4	Low	79.8	Confident	14 Å²	14	51.2 Å²	51.2	14%	0.144	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	13.2	-160.5	0	0	0	0	0	118.7	L218 P252	L218-G222 PolarHBondContact O-N 3.38Å; G222-P252 VanDerWaalsContact O-CD 3.31Å; G222-P252 WeakPolarHBondContact O-CD 3.3Å
223	R	69.9	Low	79.9	Confident	221 Å²	221	51.5 Å²	51.5	83%	0.834	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-32.3	-176.2	-64.2	-173.8	-175.7	-171	0.7	114.9	I221	I221-R223 PolarHBondContact O-N 2.69Å
224	S	72.1	Confident	80.1	Confident	37 Å²	37	49.5 Å²	49.5	26%	0.259	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-1.9	-175.1	35.5	0	0	0	0	113.4	S198 L199 T200	S198-S224 WeakPolarHBondContact OG-CB 3.23Å; S198-S224 PolarHBondContact OG-OG 3.03Å; L199-S224 CarbonylContact O-C 3.34Å; T200-S224 WeakPolarHBondContact CA-O 3.5Å
225	L	76.9	Confident	80.5	Confident	6 Å²	6	48 Å²	48	3%	0.031	22%	0.222	C	C	.	.			trans	-67.7	128.5	-177	-163.2	67.7	0	0	0	112.4	L199 L202 I221 E227 L228 W247 I251	L199-L225 WeakPolarHBondContact O-CA 3.42Å; L199-L225 PolarHBondContact O-N 3.41Å; L202-L225 HydrophobicContact CB-CD1 4.33Å; I221-L225 HydrophobicContact CG2-CB 4.25Å; I221-L225 HydrophobicContact CG2-CD1 3.85Å; I221-L225 HydrophobicContact CG2-CD2 3.59Å; I221-L225 HydrophobicContact CG2-CG 4.11Å; L225-E227 VanDerWaalsContact CD1-O 3.29Å; L225-E227 WeakPolarHBondContact CD1-O 3.45Å; L225-L228 HydrophobicContact CD1-CB 4.42Å; L225-L228 HydrophobicContact CD2-CB 3.6Å; L225-L228 HydrophobicContact CD2-CD2 3.86Å; L225-L228 HydrophobicContact CD2-CG 4.32Å; L225-L228 HydrophobicContact CG-CB 4.27Å; L225-W247 HydrophobicContact CD2-CH2 3.92Å; L225-W247 HydrophobicContact CD2-CZ2 4.36Å; L225-I251 HydrophobicContact CD2-CD1 3.98Å
226	M	70.9	Confident	80.9	Confident	95 Å²	95	41.1 Å²	41.1	47%	0.468	20%	0.199	S	C	.	.	S	Bend	trans	-107.6	-32.8	173.1	-63.5	177	169.6	0	0	111.5	T200 A255 L256 L973	T200-M226 WeakPolarHBondContact O-CA 3.08Å; T200-M226 WeakPolarHBondContact O-CB 3.44Å; T200-M226 PolarHBondContact O-N 2.82Å; M226-A255 CarbonylContact O-C 3.41Å; M226-A255 WeakPolarHBondContact O-CA 3.31Å; M226-L256 PolarHBondContact O-N 3.44Å; M226-L973 HydrophobicContact SD-CD2 4.49Å
227	E	73.1	Confident	81.3	Confident	50 Å²	50	40.9 Å²	40.9	23%	0.234	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.4	178.6	-173.9	164.8	-148.2	0	0	112.2	T200 H201 L202 L225 Q229 L256	T200-E227 PolarHBondContact O-N 3.03Å; H201-E227 WeakPolarHBondContact CA-O 3.41Å; H201-E227 IonicContact CD2-OE2 3.49Å; L202-E227 PolarHBondContact N-O 2.8Å; L225-E227 VanDerWaalsContact CD1-O 3.29Å; L225-E227 WeakPolarHBondContact CD1-O 3.45Å; E227-Q229 VanDerWaalsContact CD-NE2 3.31Å; E227-Q229 HydrophobicContact CG-CG 4.14Å; E227-Q229 PolarHBondContact OE1-NE2 3.05Å; E227-L256 CarbonylContact C-O 3.45Å; E227-L256 WeakPolarHBondContact CA-O 3.14Å; E227-L256 HydrophobicContact CG-CB 4.3Å
228	L	84.5	Confident	81.4	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	111.9	176.3	171.2	58.2	0	0	0	110.4	L202 L225 L230 W247 L256 V257 G258	L202-L228 HydrophobicContact CB-CD1 4.02Å; L202-L228 HydrophobicContact CD2-CD1 3.95Å; L202-L228 HydrophobicContact CG-CD1 3.86Å; L202-L228 WeakPolarHBondContact O-CA 3.48Å; L225-L228 HydrophobicContact CD1-CB 4.42Å; L225-L228 HydrophobicContact CD2-CB 3.6Å; L225-L228 HydrophobicContact CD2-CD2 3.86Å; L225-L228 HydrophobicContact CD2-CG 4.32Å; L225-L228 HydrophobicContact CG-CB 4.27Å; L228-L230 HydrophobicContact CD1-CD1 4.31Å; L228-L230 HydrophobicContact CD1-CD2 4.05Å; L228-L230 HydrophobicContact CD1-CG 3.91Å; L228-L230 HydrophobicContact CD2-CD1 3.86Å; L228-L230 HydrophobicContact CD2-CG 4.37Å; L228-L230 HydrophobicContact CG-CD1 3.89Å; L228-L230 HydrophobicContact CG-CG 3.88Å; L228-W247 HydrophobicContact CD2-CH2 3.44Å; L228-W247 VanDerWaalsContact CD2-CH2 3.44Å; L228-W247 HydrophobicContact CD2-CZ3 3.63Å; L228-L256 PolarHBondContact N-O 3.07Å; L228-V257 HydrophobicContact CB-CG1 4.5Å; L228-V257 HydrophobicContact CD2-CG1 4.38Å; L228-V257 HydrophobicContact CG-CG1 4.36Å; L228-V257 WeakPolarHBondContact O-CA 3.11Å; L228-G258 PolarHBondContact O-N 3.44Å
229	Q	83.6	Confident	81.5	Confident	40 Å²	40	45.2 Å²	45.2	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.1	-179.4	-61	176.9	-2.6	0	0	109.4	L202 D203 L204 R205 E227 E231	L202-Q229 PolarHBondContact O-N 3.15Å; D203-Q229 HydrophobicContact CB-CB 4.43Å; D203-Q229 VanDerWaalsContact CG-OE1 3.32Å; D203-Q229 WeakPolarHBondContact OD1-CB 3.18Å; D203-Q229 PolarHBondContact OD2-OE1 3.23Å; L204-Q229 PolarHBondContact N-O 3Å; R205-Q229 HydrophobicContact CG-CB 3.79Å; E227-Q229 VanDerWaalsContact CD-NE2 3.31Å; E227-Q229 HydrophobicContact CG-CG 4.14Å; E227-Q229 PolarHBondContact OE1-NE2 3.05Å; Q229-E231 WeakPolarHBondContact CA-OE2 3.38Å
230	L	89	Confident	81.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.			trans	-140.3	4.8	-167	-74	176.3	0	0	0	113.3	L204 L212 L228 W235 V257 I260	L204-L230 HydrophobicContact CB-CD2 4.16Å; L204-L230 HydrophobicContact CD1-CD2 4.05Å; L212-L230 HydrophobicContact CD1-CD1 4.25Å; L212-L230 HydrophobicContact CD1-CD2 3.91Å; L228-L230 HydrophobicContact CD1-CD1 4.31Å; L228-L230 HydrophobicContact CD1-CD2 4.05Å; L228-L230 HydrophobicContact CD1-CG 3.91Å; L228-L230 HydrophobicContact CD2-CD1 3.86Å; L228-L230 HydrophobicContact CD2-CG 4.37Å; L228-L230 HydrophobicContact CG-CD1 3.89Å; L228-L230 HydrophobicContact CG-CG 3.88Å; L230-W235 HydrophobicContact CB-CZ2 4.02Å; L230-W235 HydrophobicContact CD2-CH2 4.11Å; L230-W235 HydrophobicContact CD2-CZ2 3.87Å; L230-W235 HydrophobicContact CG-CZ2 4.38Å; L230-W235 PolarHBondContact O-NE1 2.88Å; L230-V257 HydrophobicContact CD1-CG1 4.32Å; L230-I260 HydrophobicContact CB-CG1 4.07Å; L230-I260 HydrophobicContact CD1-CD1 3.8Å; L230-I260 HydrophobicContact CD1-CG1 4.23Å
231	E	85.2	Confident	81.8	Confident	52 Å²	52	44.9 Å²	44.9	24%	0.243	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	165.3	177.1	-61	84.7	160.7	0	0	111.8	R205 G206 Q229 N233 G258 D259	R205-E231 WeakPolarHBondContact CA-O 3.15Å; R205-E231 WeakPolarHBondContact CD-OE2 3.4Å; R205-E231 HydrophobicContact CG-CB 3.92Å; R205-E231 WeakPolarHBondContact CG-OE2 3.49Å; G206-E231 PolarHBondContact N-O 3.27Å; Q229-E231 WeakPolarHBondContact CA-OE2 3.38Å; E231-N233 PolarHBondContact O-N 3.1Å; E231-N233 PolarHBondContact O-ND2 2.66Å; E231-G258 VanDerWaalsContact CD-CA 3.49Å; E231-G258 WeakPolarHBondContact OE1-CA 3.22Å; E231-D259 PolarHBondContact OE1-N 3.31Å
232	E	84.4	Confident	82.2	Confident	142 Å²	142	44.4 Å²	44.4	66%	0.664	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	23	171.5	-61.1	172.7	-119.9	0	0	115
233	N	90.4	Very high	83.2	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.053	22%	0.217	C	C	.	.			trans	-105.7	143.5	173.8	-83.1	-95.5	0	0	0	110.9	L204 N207 R208 L209 E231 W235	L204-N233 PolarHBondContact O-ND2 2.04Å; N207-N233 WeakPolarHBondContact CA-OD1 3.49Å; N207-N233 WeakPolarHBondContact CB-OD1 3.48Å; N207-N233 PolarHBondContact O-OD1 2.72Å; R208-N233 PolarHBondContact N-OD1 2.96Å; L209-N233 HydrophobicContact CB-CB 4.32Å; L209-N233 WeakPolarHBondContact CB-OD1 3.41Å; L209-N233 VanDerWaalsContact CG-OD1 3.31Å; L209-N233 WeakPolarHBondContact CG-OD1 3.04Å; L209-N233 PolarHBondContact N-OD1 3.44Å; E231-N233 PolarHBondContact O-N 3.1Å; E231-N233 PolarHBondContact O-ND2 2.66Å; N233-W235 VanDerWaalsContact C-N 3.26Å; N233-W235 HydrophobicContact CB-CD2 4.32Å; N233-W235 HydrophobicContact CB-CZ2 3.75Å; N233-W235 PolarHBondContact O-N 2.82Å
234	P	89.2	Confident	84	Confident	28 Å²	28	34.2 Å²	34.2	18%	0.182	18%	0.177	C	C	.	.			trans	-79.6	65.8	-176.3	34.5	-38	0	0	0	112.4	N207 L209 N236 E263	N207-P234 VanDerWaalsContact O-CD 3.3Å; N207-P234 WeakPolarHBondContact O-CD 3.34Å; L209-P234 CarbonylContact O-C 3.23Å; L209-P234 WeakPolarHBondContact O-CD 3.34Å; P234-N236 PolarHBondContact O-N 3.06Å; P234-E263 HydrophobicContact CB-CB 4.25Å; P234-E263 HydrophobicContact CB-CG 4.09Å
235	W	91.8	Very high	84.7	Confident	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130.7	-174.4	-64.7	109.2	0	0	0	113	L209 L212 L230 N233 I241 L244 I260 E263 T264	L209-W235 HydrophobicContact CB-CH2 3.66Å; L209-W235 HydrophobicContact CB-CZ2 4.24Å; L209-W235 HydrophobicContact CB-CZ3 3.97Å; L209-W235 HydrophobicContact CD1-CH2 4.09Å; L212-W235 HydrophobicContact CD1-CH2 3.76Å; L212-W235 HydrophobicContact CD1-CZ3 4.28Å; L212-W235 HydrophobicContact CD2-CH2 4.49Å; L212-W235 HydrophobicContact CG-CH2 3.78Å; L212-W235 HydrophobicContact CG-CZ3 3.88Å; L230-W235 HydrophobicContact CB-CZ2 4.02Å; L230-W235 HydrophobicContact CD2-CH2 4.11Å; L230-W235 HydrophobicContact CD2-CZ2 3.87Å; L230-W235 HydrophobicContact CG-CZ2 4.38Å; L230-W235 PolarHBondContact O-NE1 2.88Å; N233-W235 VanDerWaalsContact C-N 3.26Å; N233-W235 HydrophobicContact CB-CD2 4.32Å; N233-W235 HydrophobicContact CB-CZ2 3.75Å; N233-W235 PolarHBondContact O-N 2.82Å; W235-I241 HydrophobicContact CE3-CD1 3.97Å; W235-L244 HydrophobicContact CE3-CD2 4.35Å; W235-L244 HydrophobicContact CH2-CD2 4.47Å; W235-L244 HydrophobicContact CZ3-CD2 4.11Å; W235-I260 HydrophobicContact CD2-CG2 3.98Å; W235-I260 HydrophobicContact CG-CG2 3.82Å; W235-E263 PolarHBondContact O-N 3.05Å; W235-T264 PolarHBondContact O-N 3.3Å
236	N	88.9	Confident	85	Confident	37 Å²	37	32.9 Å²	32.9	20%	0.198	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	91.1	178	-179.9	38.5	0	0	0	110.2	K210 P234 T238 T264	K210-N236 HydrophobicContact CB-CB 4.03Å; K210-N236 PolarHBondContact O-N 3.17Å; P234-N236 PolarHBondContact O-N 3.06Å; N236-T238 PolarHBondContact ND2-OG1 3.36Å; N236-T238 PolarHBondContact O-N 3.33Å; N236-T238 WeakPolarHBondContact OD1-CG2 3.29Å; N236-T264 CarbonylContact C-O 3.6Å; N236-T264 WeakPolarHBondContact CA-OG1 3.2Å; N236-T264 PolarHBondContact OD1-OG1 2.96Å
237	C	87.6	Confident	85.7	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.007	15%	0.146	C	C	.	.			trans	-81.1	59.8	-175.6	-64.1	0	0	0	0	112.8	I241 C262 T264 P265 F268 I276 L281	C237-I241 HydrophobicContact CB-CG2 4.34Å; C237-C262 HydrophobicContact CB-CB 3.72Å; C237-C262 WeakPolarHBondContact CB-SG 3.26Å; C237-C262 WeakPolarHBondContact SG-CB 3.16Å; C237-C262 CovalentContact SG-SG 2.03Å; C237-C262 PolarHBondContact SG-SG 3.04Å; C237-T264 PolarHBondContact N-O 2.94Å; C237-P265 WeakPolarHBondContact O-CD 3.02Å; C237-F268 HydrophobicContact CB-CB 4.42Å; C237-F268 HydrophobicContact CB-CD2 4.38Å; C237-F268 WeakPolarHBondContact O-CD2 3.42Å; C237-I276 HydrophobicContact CB-CD1 4.49Å; C237-L281 HydrophobicContact CB-CD2 3.84Å; C237-L281 WeakPolarHBondContact O-CD2 3.42Å
238	T	85.9	Confident	86.1	Confident	49 Å²	49	27.6 Å²	27.6	30%	0.301	14%	0.141	S	C	.	.	S	Bend	trans	-101.7	-175.9	165.4	61.5	0	0	0	0	110.2	N236 E240 I241 L281	N236-T238 PolarHBondContact ND2-OG1 3.36Å; N236-T238 PolarHBondContact O-N 3.33Å; N236-T238 WeakPolarHBondContact OD1-CG2 3.29Å; T238-E240 PolarHBondContact O-N 3.26Å; T238-I241 VanDerWaalsContact O-CG2 3.26Å; T238-I241 WeakPolarHBondContact O-CG2 3.46Å; T238-I241 PolarHBondContact O-N 2.91Å; T238-L281 CarbonylContact C-O 3.49Å
239	C	84.4	Confident	85.8	Confident	45 Å²	45	32.5 Å²	32.5	30%	0.304	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-50.2	-30.5	-178.5	-169.3	0	0	0	0	114.6	I241 V242 L281 C282	C239-I241 VanDerWaalsContact C-N 3.28Å; C239-I241 PolarHBondContact O-N 2.71Å; C239-V242 WeakPolarHBondContact O-CB 3.45Å; C239-V242 VanDerWaalsContact O-CG2 3.31Å; C239-V242 WeakPolarHBondContact O-CG2 3.45Å; C239-V242 PolarHBondContact O-N 2.97Å; C239-L281 WeakPolarHBondContact CA-O 3.37Å; C239-L281 PolarHBondContact N-O 3.34Å; C239-L281 VanDerWaalsContact N-O 3.09Å; C239-C282 HydrophobicContact CB-CB 3.55Å; C239-C282 WeakPolarHBondContact CB-SG 3.38Å; C239-C282 WeakPolarHBondContact SG-CB 3.4Å; C239-C282 CovalentContact SG-SG 2.04Å; C239-C282 PolarHBondContact SG-SG 3.48Å
240	E	82.2	Confident	85.5	Confident	101 Å²	101	35.8 Å²	35.8	47%	0.472	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-59.2	-35.6	177.6	-62.9	-176.9	167.1	0	0	113.2	V211 T238 V242	V211-E240 HydrophobicContact CG1-CB 3.88Å; T238-E240 PolarHBondContact O-N 3.26Å; E240-V242 PolarHBondContact O-N 3.15Å
241	I	87.5	Confident	84.6	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-69.3	-15.2	-178.4	-147.6	69.2	0	0	0	112.9	V211 W235 C237 T238 C239 Q243 L244 K245 L273 L281	V211-I241 HydrophobicContact CB-CD1 4.35Å; V211-I241 HydrophobicContact CG1-CD1 3.98Å; W235-I241 HydrophobicContact CE3-CD1 3.97Å; C237-I241 HydrophobicContact CB-CG2 4.34Å; T238-I241 VanDerWaalsContact O-CG2 3.26Å; T238-I241 WeakPolarHBondContact O-CG2 3.46Å; T238-I241 PolarHBondContact O-N 2.91Å; C239-I241 VanDerWaalsContact C-N 3.28Å; C239-I241 PolarHBondContact O-N 2.71Å; I241-Q243 PolarHBondContact O-N 2.87Å; I241-Q243 VanDerWaalsContact O-N 3.13Å; I241-L244 HydrophobicContact CD1-CB 4.47Å; I241-L244 HydrophobicContact CD1-CD2 4.06Å; I241-L244 HydrophobicContact CG1-CB 4.48Å; I241-L244 HydrophobicContact CG1-CD2 4.47Å; I241-L244 WeakPolarHBondContact O-CB 3.37Å; I241-L244 PolarHBondContact O-N 3.35Å; I241-K245 PolarHBondContact O-N 2.88Å; I241-L273 HydrophobicContact CB-CD1 4.42Å; I241-L273 HydrophobicContact CG1-CD1 3.99Å; I241-L273 HydrophobicContact CG1-CD2 3.64Å; I241-L273 HydrophobicContact CG1-CG 4.47Å; I241-L273 HydrophobicContact CG2-CD1 3.49Å; I241-L273 VanDerWaalsContact CG2-CD1 3.49Å; I241-L281 HydrophobicContact CG2-CD1 3.87Å; I241-L281 HydrophobicContact CG2-CD2 3.96Å; I241-L281 HydrophobicContact CG2-CG 4.41Å
242	V	85.4	Confident	83.4	Confident	1 Å²	1	37 Å²	37	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-21.3	-176.5	-179.4	0	0	0	0	111.6	C239 E240 S246 K278 L281 C282 V290	C239-V242 WeakPolarHBondContact O-CB 3.45Å; C239-V242 VanDerWaalsContact O-CG2 3.31Å; C239-V242 WeakPolarHBondContact O-CG2 3.45Å; C239-V242 PolarHBondContact O-N 2.97Å; E240-V242 PolarHBondContact O-N 3.15Å; V242-S246 WeakPolarHBondContact O-CB 3.49Å; V242-S246 PolarHBondContact O-N 2.77Å; V242-S246 PolarHBondContact O-OG 3.14Å; V242-K278 HydrophobicContact CG1-CB 4.43Å; V242-K278 HydrophobicContact CG1-CD 4.24Å; V242-K278 HydrophobicContact CG1-CG 4.21Å; V242-L281 HydrophobicContact CG2-CB 3.67Å; V242-L281 HydrophobicContact CG2-CD1 4.05Å; V242-C282 HydrophobicContact CG2-CB 4.28Å; V242-V290 HydrophobicContact CG1-CG1 3.65Å
243	Q	84	Confident	81.7	Confident	21 Å²	21	37.2 Å²	37.2	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-55	166.5	-73.4	176.3	75.3	0	0	112.2	I241 S246 W247 L294	I241-Q243 PolarHBondContact O-N 2.87Å; I241-Q243 VanDerWaalsContact O-N 3.13Å; Q243-S246 PolarHBondContact O-N 3.15Å; Q243-W247 PolarHBondContact O-N 3.11Å; Q243-L294 HydrophobicContact CG-CB 4.38Å; Q243-L294 HydrophobicContact CG-CD1 3.67Å; Q243-L294 HydrophobicContact CG-CD2 3.77Å; Q243-L294 HydrophobicContact CG-CG 4.14Å
244	L	87.4	Confident	79.7	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-46.2	177.3	177.4	58.6	0	0	0	110.6	L212 L218 W235 I241 S246 W247 L248 I260 L273	L212-L244 HydrophobicContact CB-CD1 4.3Å; L212-L244 HydrophobicContact CB-CD2 4.32Å; L212-L244 HydrophobicContact CD1-CD1 4.09Å; L212-L244 HydrophobicContact CD1-CD2 4.22Å; L212-L244 HydrophobicContact CG-CD2 4.47Å; L218-L244 HydrophobicContact CD1-CB 4.29Å; L218-L244 HydrophobicContact CD1-CD1 3.8Å; L218-L244 HydrophobicContact CD2-CD1 4.26Å; W235-L244 HydrophobicContact CE3-CD2 4.35Å; W235-L244 HydrophobicContact CH2-CD2 4.47Å; W235-L244 HydrophobicContact CZ3-CD2 4.11Å; I241-L244 HydrophobicContact CD1-CB 4.47Å; I241-L244 HydrophobicContact CD1-CD2 4.06Å; I241-L244 HydrophobicContact CG1-CB 4.48Å; I241-L244 HydrophobicContact CG1-CD2 4.47Å; I241-L244 WeakPolarHBondContact O-CB 3.37Å; I241-L244 PolarHBondContact O-N 3.35Å; L244-S246 PolarHBondContact O-N 3.31Å; L244-W247 HydrophobicContact CD1-CE3 4.04Å; L244-W247 HydrophobicContact CD1-CZ3 4.45Å; L244-W247 WeakPolarHBondContact O-CB 3.43Å; L244-W247 PolarHBondContact O-N 2.89Å; L244-W247 VanDerWaalsContact O-N 3.08Å; L244-L248 HydrophobicContact CD1-CD1 4.38Å; L244-L248 HydrophobicContact CD1-CG 4.25Å; L244-L248 HydrophobicContact CG-CD1 4.14Å; L244-L248 HydrophobicContact CG-CG 4.49Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.37Å; L244-L248 PolarHBondContact O-N 3.36Å; L244-I260 HydrophobicContact CD2-CD1 4.39Å; L244-I260 HydrophobicContact CD2-CG2 4.44Å; L244-L273 HydrophobicContact CB-CD2 4.28Å; L244-L273 HydrophobicContact CD2-CD2 3.89Å; L244-L273 HydrophobicContact CG-CD2 3.9Å
245	K	85.9	Confident	78.3	Confident	13 Å²	13	40.4 Å²	40.4	6%	0.057	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-47.7	176.2	-166.1	-171.1	171.1	81.3	0	112.2	I241 W247 L248 E249 L273 R274 I276 K278 L281	I241-K245 PolarHBondContact O-N 2.88Å; K245-W247 PolarHBondContact O-N 3.06Å; K245-L248 PolarHBondContact O-N 3.28Å; K245-E249 VanDerWaalsContact CE-OE1 3.25Å; K245-E249 WeakPolarHBondContact CE-OE1 3.42Å; K245-E249 WeakPolarHBondContact O-CG 3.41Å; K245-E249 PolarHBondContact O-N 2.97Å; K245-E249 VanDerWaalsContact O-N 3.16Å; K245-L273 HydrophobicContact CB-CD1 4.13Å; K245-L273 HydrophobicContact CB-CD2 4.31Å; K245-L273 HydrophobicContact CB-CG 4.13Å; K245-L273 HydrophobicContact CG-CD1 4.44Å; K245-L273 HydrophobicContact CG-CG 4.35Å; K245-L273 PolarHBondContact NZ-O 2.84Å; K245-R274 VanDerWaalsContact NZ-C 3.3Å; K245-R274 PolarHBondContact NZ-O 3.11Å; K245-I276 WeakPolarHBondContact CE-O 3.38Å; K245-I276 PolarHBondContact NZ-O 3.36Å; K245-K278 HydrophobicContact CD-CG 4.01Å; K245-L281 HydrophobicContact CD-CD1 3.89Å
246	S	83	Confident	77	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-69.5	-13.7	179.6	-61.1	0	0	0	0	113.9	V242 Q243 L244 R250 K278	V242-S246 WeakPolarHBondContact O-CB 3.49Å; V242-S246 PolarHBondContact O-N 2.77Å; V242-S246 PolarHBondContact O-OG 3.14Å; Q243-S246 PolarHBondContact O-N 3.15Å; L244-S246 PolarHBondContact O-N 3.31Å; S246-R250 WeakPolarHBondContact O-CD 3.36Å; S246-R250 WeakPolarHBondContact O-CG 3.48Å; S246-R250 PolarHBondContact O-NE 2.93Å; S246-K278 WeakPolarHBondContact OG-CE 3.46Å; S246-K278 PolarHBondContact OG-NZ 3.03Å
247	W	85.4	Confident	76.4	Confident	10 Å²	10	44.4 Å²	44.4	4%	0.038	22%	0.224	C	C	.	.	H	α-helix	trans	-87.8	-40.9	170.3	178	83.7	0	0	0	112.1	Y214 L218 I221 L225 L228 Q243 L244 K245 E249 R250 I251	Y214-W247 HydrophobicContact CD2-CB 4.21Å; Y214-W247 HydrophobicContact CD2-CG 4.48Å; Y214-W247 AromaticContact CE2-CD1 3.94Å; L218-W247 HydrophobicContact CB-CB 4.44Å; L218-W247 HydrophobicContact CB-CD2 3.9Å; L218-W247 HydrophobicContact CB-CG 3.76Å; L218-W247 HydrophobicContact CB-CZ2 4.49Å; L218-W247 HydrophobicContact CD1-CB 4Å; L218-W247 HydrophobicContact CD1-CD2 4.17Å; L218-W247 HydrophobicContact CD1-CE3 4.36Å; L218-W247 HydrophobicContact CD1-CG 4.04Å; L218-W247 HydrophobicContact CD2-CD2 4.04Å; L218-W247 HydrophobicContact CD2-CE3 4Å; L218-W247 HydrophobicContact CD2-CH2 4.19Å; L218-W247 HydrophobicContact CD2-CZ2 4.23Å; L218-W247 HydrophobicContact CD2-CZ3 4.08Å; L218-W247 HydrophobicContact CG-CD2 4.26Å; L218-W247 HydrophobicContact CG-CG 4.37Å; L218-W247 PolarHBondContact O-NE1 2.7Å; I221-W247 HydrophobicContact CB-CZ2 4.47Å; I221-W247 HydrophobicContact CG2-CZ2 4.42Å; L225-W247 HydrophobicContact CD2-CH2 3.92Å; L225-W247 HydrophobicContact CD2-CZ2 4.36Å; L228-W247 HydrophobicContact CD2-CH2 3.44Å; L228-W247 VanDerWaalsContact CD2-CH2 3.44Å; L228-W247 HydrophobicContact CD2-CZ3 3.63Å; Q243-W247 PolarHBondContact O-N 3.11Å; L244-W247 HydrophobicContact CD1-CE3 4.04Å; L244-W247 HydrophobicContact CD1-CZ3 4.45Å; L244-W247 WeakPolarHBondContact O-CB 3.43Å; L244-W247 PolarHBondContact O-N 2.89Å; L244-W247 VanDerWaalsContact O-N 3.08Å; K245-W247 PolarHBondContact O-N 3.06Å; W247-E249 PolarHBondContact O-N 3.25Å; W247-R250 CarbonylContact O-C 3.17Å; W247-R250 WeakPolarHBondContact O-CA 3.46Å; W247-R250 PolarHBondContact O-N 2.87Å; W247-I251 HydrophobicContact CH2-CD1 3.43Å; W247-I251 VanDerWaalsContact CH2-CD1 3.43Å; W247-I251 HydrophobicContact CH2-CG1 4.29Å; W247-I251 HydrophobicContact CZ2-CD1 3.84Å; W247-I251 HydrophobicContact CZ2-CG1 4.23Å; W247-I251 HydrophobicContact CZ3-CD1 3.84Å; W247-I251 PolarHBondContact O-N 3.44Å
248	L	82.6	Confident	75.4	Confident	25 Å²	25	44.7 Å²	44.7	13%	0.131	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-28.6	173.7	-65.3	166.7	0	0	0	112.5	L244 K245 R250 I251 V257 I260 L273 R274	L244-L248 HydrophobicContact CD1-CD1 4.38Å; L244-L248 HydrophobicContact CD1-CG 4.25Å; L244-L248 HydrophobicContact CG-CD1 4.14Å; L244-L248 HydrophobicContact CG-CG 4.49Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.37Å; L244-L248 PolarHBondContact O-N 3.36Å; K245-L248 PolarHBondContact O-N 3.28Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-I251 WeakPolarHBondContact O-CG2 3.4Å; L248-V257 HydrophobicContact CD2-CB 4.35Å; L248-V257 HydrophobicContact CD2-CG1 3.72Å; L248-V257 HydrophobicContact CD2-CG2 4.38Å; L248-I260 HydrophobicContact CD1-CD1 3.54Å; L248-I260 HydrophobicContact CD2-CD1 4.02Å; L248-I260 HydrophobicContact CG-CD1 4.4Å; L248-L273 HydrophobicContact CD1-CD2 4.04Å; L248-R274 HydrophobicContact CD1-CG 4.33Å
249	E	78.8	Confident	74.8	Confident	105 Å²	105	44.9 Å²	44.9	49%	0.491	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.8	172.7	-69.3	165.9	-170.1	0	0	114.1	K245 W247 K278	K245-E249 VanDerWaalsContact CE-OE1 3.25Å; K245-E249 WeakPolarHBondContact CE-OE1 3.42Å; K245-E249 WeakPolarHBondContact O-CG 3.41Å; K245-E249 PolarHBondContact O-N 2.97Å; K245-E249 VanDerWaalsContact O-N 3.16Å; W247-E249 PolarHBondContact O-N 3.25Å; E249-K278 VanDerWaalsContact CD-CE 3.4Å; E249-K278 WeakPolarHBondContact OE1-CE 3.35Å; E249-K278 IonicContact OE1-NZ 2.64Å; E249-K278 WeakPolarHBondContact OE2-CE 3.42Å; E249-K278 IonicContact OE2-NZ 3.41Å; E249-K278 PolarHBondContact OE2-NZ 3.08Å
250	R	75.4	Confident	74.9	Confident	110 Å²	110	42.7 Å²	42.7	42%	0.415	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-12.3	-175	-63.2	-179.2	-139.2	-120.1	-7.6	114.4	S246 W247 L248 E291	S246-R250 WeakPolarHBondContact O-CD 3.36Å; S246-R250 WeakPolarHBondContact O-CG 3.48Å; S246-R250 PolarHBondContact O-NE 2.93Å; W247-R250 CarbonylContact O-C 3.17Å; W247-R250 WeakPolarHBondContact O-CA 3.46Å; W247-R250 PolarHBondContact O-N 2.87Å; L248-R250 VanDerWaalsContact C-N 3.3Å; R250-E291 IonicContact CZ-OE1 2.68Å; R250-E291 VanDerWaalsContact CZ-OE1 3.26Å; R250-E291 IonicContact NH1-OE1 3.58Å; R250-E291 PolarHBondContact NH1-OE1 3.37Å; R250-E291 IonicContact NH2-OE1 3.99Å; R250-E291 PolarHBondContact NH2-OE1 3.36Å
251	I	71.8	Confident	74.9	Confident	26 Å²	26	41.1 Å²	41.1	13%	0.133	21%	0.209	C	C	.	.	S	Bend	trans	-61.4	146.4	177.8	-161.9	177.1	0	0	0	110.5	L225 W247 L248 Y253 A255 V257	L225-I251 HydrophobicContact CD2-CD1 3.98Å; W247-I251 HydrophobicContact CH2-CD1 3.43Å; W247-I251 VanDerWaalsContact CH2-CD1 3.43Å; W247-I251 HydrophobicContact CH2-CG1 4.29Å; W247-I251 HydrophobicContact CZ2-CD1 3.84Å; W247-I251 HydrophobicContact CZ2-CG1 4.23Å; W247-I251 HydrophobicContact CZ3-CD1 3.84Å; W247-I251 PolarHBondContact O-N 3.44Å; L248-I251 WeakPolarHBondContact O-CG2 3.4Å; I251-Y253 PolarHBondContact O-N 3.07Å; I251-A255 HydrophobicContact CD1-CB 3.59Å; I251-A255 HydrophobicContact CG1-CB 3.92Å; I251-V257 HydrophobicContact CD1-CG2 3.63Å
252	P	58.3	Low	74.8	Confident	50 Å²	50	41.2 Å²	41.2	33%	0.325	21%	0.209	S	C	.	.			trans	-52.3	129.2	169.8	-29.1	36.5	0	0	0	111.6	G222 T254 A255	G222-P252 VanDerWaalsContact O-CD 3.31Å; G222-P252 WeakPolarHBondContact O-CD 3.3Å; P252-T254 PolarHBondContact O-N 2.94Å; P252-A255 VanDerWaalsContact O-CB 3.31Å; P252-A255 WeakPolarHBondContact O-CB 3.2Å; P252-A255 PolarHBondContact O-N 2.72Å
253	Y	49.2	Very low	74.6	Confident	147 Å²	147	45.8 Å²	45.8	58%	0.576	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.1	-179.9	52	-98.6	0	0	0	114.2	I251 A255 N385	I251-Y253 PolarHBondContact O-N 3.07Å; Y253-A255 VanDerWaalsContact C-N 3.35Å; Y253-N385 HydrophobicContact CE2-CB 4.01Å; Y253-N385 WeakPolarHBondContact CE2-ND2 3.4Å; Y253-N385 VanDerWaalsContact CE2-OD1 3.24Å; Y253-N385 WeakPolarHBondContact CE2-OD1 3.36Å; Y253-N385 VanDerWaalsContact CZ-CG 3.5Å; Y253-N385 PolarHBondContact OH-ND2 3Å; Y253-N385 PolarHBondContact OH-OD1 3.26Å
254	T	49.8	Very low	74	Confident	92 Å²	92	47.6 Å²	47.6	56%	0.564	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.1	170.8	50	0	0	0	0	112.8	P252 L256	P252-T254 PolarHBondContact O-N 2.94Å; T254-L256 PolarHBondContact O-N 2.94Å
255	A	59.4	Low	73.4	Confident	13 Å²	13	49.1 Å²	49.1	11%	0.107	25%	0.253	C	S	.	.	S	Bend	trans	-74.6	119.8	179.4	0	0	0	0	0	110.4	M226 I251 P252 Y253 V257	M226-A255 CarbonylContact O-C 3.41Å; M226-A255 WeakPolarHBondContact O-CA 3.31Å; I251-A255 HydrophobicContact CD1-CB 3.59Å; I251-A255 HydrophobicContact CG1-CB 3.92Å; P252-A255 VanDerWaalsContact O-CB 3.31Å; P252-A255 WeakPolarHBondContact O-CB 3.2Å; P252-A255 PolarHBondContact O-N 2.72Å; Y253-A255 VanDerWaalsContact C-N 3.35Å; A255-V257 HydrophobicContact CB-CG2 4.46Å; A255-V257 PolarHBondContact O-N 2.86Å
256	L	63	Low	72.5	Confident	96 Å²	96	57.6 Å²	57.6	50%	0.503	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	107	168.8	-64.1	177.6	0	0	0	108.3	M226 E227 L228 T254	M226-L256 PolarHBondContact O-N 3.44Å; E227-L256 CarbonylContact C-O 3.45Å; E227-L256 WeakPolarHBondContact CA-O 3.14Å; E227-L256 HydrophobicContact CG-CB 4.3Å; L228-L256 PolarHBondContact N-O 3.07Å; T254-L256 PolarHBondContact O-N 2.94Å
257	V	77.1	Confident	72	Confident	27 Å²	27	63.1 Å²	63.1	16%	0.164	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.9	173.5	-168.5	0	0	0	0	110	L228 L230 L248 I251 A255 I260 R274	L228-V257 HydrophobicContact CB-CG1 4.5Å; L228-V257 HydrophobicContact CD2-CG1 4.38Å; L228-V257 HydrophobicContact CG-CG1 4.36Å; L228-V257 WeakPolarHBondContact O-CA 3.11Å; L230-V257 HydrophobicContact CD1-CG1 4.32Å; L248-V257 HydrophobicContact CD2-CB 4.35Å; L248-V257 HydrophobicContact CD2-CG1 3.72Å; L248-V257 HydrophobicContact CD2-CG2 4.38Å; I251-V257 HydrophobicContact CD1-CG2 3.63Å; A255-V257 HydrophobicContact CB-CG2 4.46Å; A255-V257 PolarHBondContact O-N 2.86Å; V257-I260 HydrophobicContact CG1-CD1 4.37Å; V257-R274 PolarHBondContact O-NH1 3.45Å
258	G	65.8	Low	71.6	Confident	7 Å²	7	63.6 Å²	63.6	7%	0.072	32%	0.318	C	S	.	.			trans	-60.2	172.5	176.7	0	0	0	0	0	114.7	L228 E231 R274	L228-G258 PolarHBondContact O-N 3.44Å; E231-G258 VanDerWaalsContact CD-CA 3.49Å; E231-G258 WeakPolarHBondContact OE1-CA 3.22Å; G258-R274 PolarHBondContact O-NH1 2.89Å
259	D	74.4	Confident	71	Confident	52 Å²	52	68 Å²	68	28%	0.278	34%	0.338	S	S	.	.			trans	-84.3	129.2	-175.6	-68.4	-2.6	0	0	0	111.5	E231 R274	E231-D259 PolarHBondContact OE1-N 3.31Å; D259-R274 VanDerWaalsContact CG-NH2 3.34Å; D259-R274 IonicContact OD1-CZ 2.66Å; D259-R274 IonicContact OD1-NH1 3.84Å; D259-R274 IonicContact OD1-NH2 3.82Å; D259-R274 PolarHBondContact OD1-NH2 3.19Å
260	I	85.8	Confident	70.5	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.324	C	S	.	.			trans	-112	76.2	-168.3	-60.9	166.5	0	0	0	107.7	L230 W235 L244 L248 V257 D272 L273	L230-I260 HydrophobicContact CB-CG1 4.07Å; L230-I260 HydrophobicContact CD1-CD1 3.8Å; L230-I260 HydrophobicContact CD1-CG1 4.23Å; W235-I260 HydrophobicContact CD2-CG2 3.98Å; W235-I260 HydrophobicContact CG-CG2 3.82Å; L244-I260 HydrophobicContact CD2-CD1 4.39Å; L244-I260 HydrophobicContact CD2-CG2 4.44Å; L248-I260 HydrophobicContact CD1-CD1 3.54Å; L248-I260 HydrophobicContact CD2-CD1 4.02Å; L248-I260 HydrophobicContact CG-CD1 4.4Å; V257-I260 HydrophobicContact CG1-CD1 4.37Å; I260-D272 PolarHBondContact N-OD2 2.77Å; I260-D272 WeakPolarHBondContact O-CA 3.32Å; I260-L273 HydrophobicContact CB-CB 4.06Å; I260-L273 HydrophobicContact CG2-CB 3.72Å; I260-L273 HydrophobicContact CG2-CD2 3.89Å; I260-L273 HydrophobicContact CG2-CG 4.47Å; I260-L273 PolarHBondContact O-N 2.91Å
261	T	83.5	Confident	70.3	Confident	68 Å²	68	62.2 Å²	62.2	42%	0.417	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-75.1	122.9	-179.8	-54.7	0	0	0	0	110.5	K271	T261-K271 WeakPolarHBondContact CA-O 3.15Å
262	C	83.9	Confident	70.6	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.007	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	132.1	174.7	-59.5	0	0	0	0	111.5	C237 F268 H269 G270 K271 I276	C237-C262 HydrophobicContact CB-CB 3.72Å; C237-C262 WeakPolarHBondContact CB-SG 3.26Å; C237-C262 WeakPolarHBondContact SG-CB 3.16Å; C237-C262 CovalentContact SG-SG 2.03Å; C237-C262 PolarHBondContact SG-SG 3.04Å; C262-F268 HydrophobicContact CB-CB 4.1Å; C262-F268 WeakPolarHBondContact CB-O 3.07Å; C262-H269 CarbonylContact O-C 3.56Å; C262-H269 VanDerWaalsContact O-CA 3.3Å; C262-H269 WeakPolarHBondContact O-CA 3.41Å; C262-G270 PolarHBondContact O-N 3Å; C262-K271 PolarHBondContact N-O 2.84Å; C262-I276 WeakPolarHBondContact SG-CD1 3.4Å
263	E	81.6	Confident	71.9	Confident	97 Å²	97	59.1 Å²	59.1	45%	0.453	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-32.6	173.3	176.8	63.4	-163.8	0	0	110.8	P234 W235 H269	P234-E263 HydrophobicContact CB-CB 4.25Å; P234-E263 HydrophobicContact CB-CG 4.09Å; W235-E263 PolarHBondContact O-N 3.05Å; E263-H269 PolarHBondContact O-CD2 3.01Å; E263-H269 VanDerWaalsContact O-CD2 3.28Å; E263-H269 IonicContact OE2-CD2 2.72Å
264	T	72.8	Confident	73.5	Confident	59 Å²	59	56.9 Å²	56.9	36%	0.362	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.9	175.1	42.5	0	0	0	0	110.2	W235 N236 C237	W235-T264 PolarHBondContact O-N 3.3Å; N236-T264 CarbonylContact C-O 3.6Å; N236-T264 WeakPolarHBondContact CA-OG1 3.2Å; N236-T264 PolarHBondContact OD1-OG1 2.96Å; C237-T264 PolarHBondContact N-O 2.94Å
265	P	73.4	Confident	74.7	Confident	32 Å²	32	56.2 Å²	56.2	21%	0.208	28%	0.281	C	S	.	.	S	Bend	cis	-72.3	165.9	-13.8	33.5	-37.8	0	0	0	112.8	C237 H267 F268 H269	C237-P265 WeakPolarHBondContact O-CD 3.02Å; P265-H267 VanDerWaalsContact C-N 3.26Å; P265-H267 WeakPolarHBondContact CG-CE1 3.4Å; P265-H267 VanDerWaalsContact CG-NE2 3.32Å; P265-H267 WeakPolarHBondContact CG-NE2 3.38Å; P265-H267 PolarHBondContact O-N 2.97Å; P265-F268 HydrophobicContact CG-CD2 3.94Å; P265-F268 PolarHBondContact O-N 2.8Å; P265-H269 PolarHBondContact O-N 2.77Å
266	F	68.1	Low	75.7	Confident	191 Å²	191	55.9 Å²	55.9	84%	0.838	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-49.9	-36.8	-173.7	-179.4	-102.3	0	0	0	115.2	F268 H269	F266-F268 PolarHBondContact O-N 2.76Å; F266-H269 WeakPolarHBondContact O-CB 3.41Å; F266-H269 PolarHBondContact O-N 3.31Å
267	H	72.4	Confident	76.5	Confident	117 Å²	117	57.2 Å²	57.2	54%	0.542	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-71.3	-12.4	179.9	54	-103.2	0	0	0	114.4	P265 K271	P265-H267 VanDerWaalsContact C-N 3.26Å; P265-H267 WeakPolarHBondContact CG-CE1 3.4Å; P265-H267 VanDerWaalsContact CG-NE2 3.32Å; P265-H267 WeakPolarHBondContact CG-NE2 3.38Å; P265-H267 PolarHBondContact O-N 2.97Å; H267-K271 PolarHBondContact O-NZ 2.97Å
268	F	76.1	Confident	76.7	Confident	20 Å²	20	57.6 Å²	57.6	9%	0.088	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-110.1	-2.6	171.2	-63.4	-46	0	0	0	114	C237 C262 P265 F266 G270 K271 I276 E280 L281	C237-F268 HydrophobicContact CB-CB 4.42Å; C237-F268 HydrophobicContact CB-CD2 4.38Å; C237-F268 WeakPolarHBondContact O-CD2 3.42Å; C262-F268 HydrophobicContact CB-CB 4.1Å; C262-F268 WeakPolarHBondContact CB-O 3.07Å; P265-F268 HydrophobicContact CG-CD2 3.94Å; P265-F268 PolarHBondContact O-N 2.8Å; F266-F268 PolarHBondContact O-N 2.76Å; F268-G270 PolarHBondContact O-N 3.05Å; F268-K271 HydrophobicContact CD1-CD 4.39Å; F268-K271 WeakPolarHBondContact O-CB 3.08Å; F268-K271 PolarHBondContact O-N 3.43Å; F268-K271 VanDerWaalsContact O-N 3.08Å; F268-I276 HydrophobicContact CB-CD1 3.81Å; F268-I276 HydrophobicContact CD1-CD1 3.72Å; F268-I276 HydrophobicContact CD1-CG1 3.94Å; F268-I276 HydrophobicContact CD1-CG2 3.82Å; F268-I276 HydrophobicContact CD2-CD1 4.38Å; F268-I276 HydrophobicContact CE1-CD1 4.43Å; F268-I276 HydrophobicContact CE1-CG1 4.34Å; F268-I276 HydrophobicContact CE1-CG2 3.39Å; F268-I276 HydrophobicContact CE2-CG2 4.25Å; F268-I276 HydrophobicContact CG-CD1 3.72Å; F268-I276 HydrophobicContact CG-CG1 4.44Å; F268-I276 HydrophobicContact CG-CG2 4.45Å; F268-I276 HydrophobicContact CZ-CG2 3.65Å; F268-E280 HydrophobicContact CE1-CB 4.43Å; F268-E280 HydrophobicContact CZ-CB 3.99Å; F268-E280 WeakPolarHBondContact CZ-O 3.46Å; F268-L281 HydrophobicContact CD2-CD2 4.18Å; F268-L281 HydrophobicContact CE2-CD2 4.03Å
269	H	70.9	Confident	77.3	Confident	118 Å²	118	61.1 Å²	61.1	55%	0.546	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	130.4	179.8	-172.9	-68	0	0	0	111.8	C262 E263 P265 F266 K271	C262-H269 CarbonylContact O-C 3.56Å; C262-H269 VanDerWaalsContact O-CA 3.3Å; C262-H269 WeakPolarHBondContact O-CA 3.41Å; E263-H269 PolarHBondContact O-CD2 3.01Å; E263-H269 VanDerWaalsContact O-CD2 3.28Å; E263-H269 IonicContact OE2-CD2 2.72Å; P265-H269 PolarHBondContact O-N 2.77Å; F266-H269 WeakPolarHBondContact O-CB 3.41Å; F266-H269 PolarHBondContact O-N 3.31Å; H269-K271 VanDerWaalsContact C-N 3.29Å; H269-K271 PolarHBondContact O-N 3.22Å
270	G	67.5	Low	77.6	Confident	20 Å²	20	62.6 Å²	62.6	21%	0.206	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-5	178.7	0	0	0	0	0	116.1	C262 F268 K394	C262-G270 PolarHBondContact O-N 3Å; F268-G270 PolarHBondContact O-N 3.05Å; G270-K394 PolarHBondContact O-NZ 3.32Å
271	K	70.6	Confident	77.4	Confident	74 Å²	74	63 Å²	63	32%	0.322	31%	0.306	S	S	.	.			trans	-91.5	148.4	177.5	-61.2	175.5	-171.5	159.8	0	110.9	T261 C262 H267 F268 H269 I276	T261-K271 WeakPolarHBondContact CA-O 3.15Å; C262-K271 PolarHBondContact N-O 2.84Å; H267-K271 PolarHBondContact O-NZ 2.97Å; F268-K271 HydrophobicContact CD1-CD 4.39Å; F268-K271 WeakPolarHBondContact O-CB 3.08Å; F268-K271 PolarHBondContact O-N 3.43Å; F268-K271 VanDerWaalsContact O-N 3.08Å; H269-K271 VanDerWaalsContact C-N 3.29Å; H269-K271 PolarHBondContact O-N 3.22Å; K271-I276 HydrophobicContact CB-CD1 4.26Å; K271-I276 HydrophobicContact CB-CG1 4.26Å
272	D	79.7	Confident	77.3	Confident	10 Å²	10	60.1 Å²	60.1	5%	0.053	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-84.1	139.7	176.4	179.7	-82.4	0	0	0	111.1	I260 R274 E275	I260-D272 PolarHBondContact N-OD2 2.77Å; I260-D272 WeakPolarHBondContact O-CA 3.32Å; D272-R274 VanDerWaalsContact CG-NH2 3.33Å; D272-R274 PolarHBondContact O-N 3.02Å; D272-R274 VanDerWaalsContact O-N 3.08Å; D272-R274 WeakPolarHBondContact OD1-CA 3.44Å; D272-R274 WeakPolarHBondContact OD1-CB 3.49Å; D272-R274 WeakPolarHBondContact OD1-CG 3.39Å; D272-R274 IonicContact OD1-CZ 2.74Å; D272-R274 PolarHBondContact OD1-N 3.45Å; D272-R274 IonicContact OD1-NE 3.87Å; D272-R274 PolarHBondContact OD1-NE 3.26Å; D272-R274 IonicContact OD1-NH2 2.92Å; D272-R274 PolarHBondContact OD1-NH2 2.65Å; D272-R274 IonicContact OD2-CZ 3.59Å; D272-R274 IonicContact OD2-NE 3.58Å; D272-R274 PolarHBondContact OD2-NE 3.41Å; D272-R274 IonicContact OD2-NH2 2.8Å; D272-R274 PolarHBondContact OD2-NH2 3.3Å; D272-E275 HydrophobicContact CB-CG 4.02Å; D272-E275 PolarHBondContact N-OE2 2.9Å; D272-E275 WeakPolarHBondContact O-CB 3.35Å; D272-E275 PolarHBondContact O-N 3.17Å
273	L	85.2	Confident	76.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.6	-178.3	178.5	59.8	0	0	0	114	I241 L244 K245 L248 I260 E275 L281	I241-L273 HydrophobicContact CB-CD1 4.42Å; I241-L273 HydrophobicContact CG1-CD1 3.99Å; I241-L273 HydrophobicContact CG1-CD2 3.64Å; I241-L273 HydrophobicContact CG1-CG 4.47Å; I241-L273 HydrophobicContact CG2-CD1 3.49Å; I241-L273 VanDerWaalsContact CG2-CD1 3.49Å; L244-L273 HydrophobicContact CB-CD2 4.28Å; L244-L273 HydrophobicContact CD2-CD2 3.89Å; L244-L273 HydrophobicContact CG-CD2 3.9Å; K245-L273 HydrophobicContact CB-CD1 4.13Å; K245-L273 HydrophobicContact CB-CD2 4.31Å; K245-L273 HydrophobicContact CB-CG 4.13Å; K245-L273 HydrophobicContact CG-CD1 4.44Å; K245-L273 HydrophobicContact CG-CG 4.35Å; K245-L273 PolarHBondContact NZ-O 2.84Å; L248-L273 HydrophobicContact CD1-CD2 4.04Å; I260-L273 HydrophobicContact CB-CB 4.06Å; I260-L273 HydrophobicContact CG2-CB 3.72Å; I260-L273 HydrophobicContact CG2-CD2 3.89Å; I260-L273 HydrophobicContact CG2-CG 4.47Å; I260-L273 PolarHBondContact O-N 2.91Å; L273-E275 VanDerWaalsContact C-N 3.3Å; L273-L281 HydrophobicContact CD1-CD1 3.82Å; L273-L281 HydrophobicContact CD1-CD2 4.49Å
274	R	82.4	Confident	75.4	Confident	101 Å²	101	68.2 Å²	68.2	38%	0.381	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.6	177	-60.4	163.1	-69.9	-168.4	10.2	111.1	K245 L248 V257 G258 D259 D272	K245-R274 VanDerWaalsContact NZ-C 3.3Å; K245-R274 PolarHBondContact NZ-O 3.11Å; L248-R274 HydrophobicContact CD1-CG 4.33Å; V257-R274 PolarHBondContact O-NH1 3.45Å; G258-R274 PolarHBondContact O-NH1 2.89Å; D259-R274 VanDerWaalsContact CG-NH2 3.34Å; D259-R274 IonicContact OD1-CZ 2.66Å; D259-R274 IonicContact OD1-NH1 3.84Å; D259-R274 IonicContact OD1-NH2 3.82Å; D259-R274 PolarHBondContact OD1-NH2 3.19Å; D272-R274 VanDerWaalsContact CG-NH2 3.33Å; D272-R274 PolarHBondContact O-N 3.02Å; D272-R274 VanDerWaalsContact O-N 3.08Å; D272-R274 WeakPolarHBondContact OD1-CA 3.44Å; D272-R274 WeakPolarHBondContact OD1-CB 3.49Å; D272-R274 WeakPolarHBondContact OD1-CG 3.39Å; D272-R274 IonicContact OD1-CZ 2.74Å; D272-R274 PolarHBondContact OD1-N 3.45Å; D272-R274 IonicContact OD1-NE 3.87Å; D272-R274 PolarHBondContact OD1-NE 3.26Å; D272-R274 IonicContact OD1-NH2 2.92Å; D272-R274 PolarHBondContact OD1-NH2 2.65Å; D272-R274 IonicContact OD2-CZ 3.59Å; D272-R274 IonicContact OD2-NE 3.58Å; D272-R274 PolarHBondContact OD2-NE 3.41Å; D272-R274 IonicContact OD2-NH2 2.8Å; D272-R274 PolarHBondContact OD2-NH2 3.3Å
275	E	76.3	Confident	74.8	Confident	78 Å²	78	68.8 Å²	68.8	36%	0.364	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-34.9	-177.8	-56	178	135.7	0	0	113.5	D272 L273 N392 K394	D272-E275 HydrophobicContact CB-CG 4.02Å; D272-E275 PolarHBondContact N-OE2 2.9Å; D272-E275 WeakPolarHBondContact O-CB 3.35Å; D272-E275 PolarHBondContact O-N 3.17Å; L273-E275 VanDerWaalsContact C-N 3.3Å; E275-N392 PolarHBondContact OE1-ND2 3.38Å; E275-K394 IonicContact OE2-NZ 3.18Å; E275-K394 PolarHBondContact OE2-NZ 2.98Å
276	I	79.3	Confident	74.2	Confident	6 Å²	6	69.7 Å²	69.7	3%	0.031	35%	0.348	C	S	.	.	S	Bend	trans	-78.4	137.9	-175.8	-50.8	161.7	0	0	0	111.2	C237 K245 C262 F268 K271 E280 L281	C237-I276 HydrophobicContact CB-CD1 4.49Å; K245-I276 WeakPolarHBondContact CE-O 3.38Å; K245-I276 PolarHBondContact NZ-O 3.36Å; C262-I276 WeakPolarHBondContact SG-CD1 3.4Å; F268-I276 HydrophobicContact CB-CD1 3.81Å; F268-I276 HydrophobicContact CD1-CD1 3.72Å; F268-I276 HydrophobicContact CD1-CG1 3.94Å; F268-I276 HydrophobicContact CD1-CG2 3.82Å; F268-I276 HydrophobicContact CD2-CD1 4.38Å; F268-I276 HydrophobicContact CE1-CD1 4.43Å; F268-I276 HydrophobicContact CE1-CG1 4.34Å; F268-I276 HydrophobicContact CE1-CG2 3.39Å; F268-I276 HydrophobicContact CE2-CG2 4.25Å; F268-I276 HydrophobicContact CG-CD1 3.72Å; F268-I276 HydrophobicContact CG-CG1 4.44Å; F268-I276 HydrophobicContact CG-CG2 4.45Å; F268-I276 HydrophobicContact CZ-CG2 3.65Å; K271-I276 HydrophobicContact CB-CD1 4.26Å; K271-I276 HydrophobicContact CB-CG1 4.26Å; I276-E280 HydrophobicContact CG2-CB 3.97Å; I276-L281 HydrophobicContact CB-CD2 4.31Å; I276-L281 HydrophobicContact CB-CG 4.36Å; I276-L281 HydrophobicContact CD1-CD2 4.21Å; I276-L281 HydrophobicContact CG2-CD1 4.45Å; I276-L281 HydrophobicContact CG2-CD2 3.79Å; I276-L281 HydrophobicContact CG2-CG 3.75Å
277	K	80.9	Confident	73.6	Confident	123 Å²	123	64.7 Å²	64.7	54%	0.535	33%	0.33	S	S	.	.			trans	-76.1	152.5	179.3	-54.5	-170.8	-161.8	77.7	0	112.5	T279 E280 L281	K277-T279 VanDerWaalsContact C-N 3.3Å; K277-T279 PolarHBondContact O-N 3.05Å; K277-E280 HydrophobicContact CB-CB 4.33Å; K277-E280 HydrophobicContact CB-CG 3.99Å; K277-E280 WeakPolarHBondContact CD-OE1 3.47Å; K277-E280 PolarHBondContact N-OE2 2.75Å; K277-E280 IonicContact NZ-OE1 2.76Å; K277-E280 PolarHBondContact NZ-OE1 3Å; K277-E280 WeakPolarHBondContact O-CB 3.5Å; K277-E280 PolarHBondContact O-N 3.31Å; K277-L281 PolarHBondContact O-N 2.84Å; K277-L281 VanDerWaalsContact O-N 3.08Å
278	K	81.2	Confident	72.8	Confident	36 Å²	36	63.2 Å²	63.2	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-57.3	-42.5	176.3	-65	-173.9	-173	-171.9	0	112.7	V242 K245 S246 E249 E280 L281 C282	V242-K278 HydrophobicContact CG1-CB 4.43Å; V242-K278 HydrophobicContact CG1-CD 4.24Å; V242-K278 HydrophobicContact CG1-CG 4.21Å; K245-K278 HydrophobicContact CD-CG 4.01Å; S246-K278 WeakPolarHBondContact OG-CE 3.46Å; S246-K278 PolarHBondContact OG-NZ 3.03Å; E249-K278 VanDerWaalsContact CD-CE 3.4Å; E249-K278 WeakPolarHBondContact OE1-CE 3.35Å; E249-K278 IonicContact OE1-NZ 2.64Å; E249-K278 WeakPolarHBondContact OE2-CE 3.42Å; E249-K278 IonicContact OE2-NZ 3.41Å; E249-K278 PolarHBondContact OE2-NZ 3.08Å; K278-E280 PolarHBondContact O-N 2.77Å; K278-L281 PolarHBondContact O-N 3.45Å; K278-C282 PolarHBondContact O-N 3.38Å
279	T	76.6	Confident	71.9	Confident	80 Å²	80	67.2 Å²	67.2	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-66.5	-21.5	176.1	51.3	0	0	0	0	113.9	K277 P283	K277-T279 VanDerWaalsContact C-N 3.3Å; K277-T279 PolarHBondContact O-N 3.05Å; T279-P283 WeakPolarHBondContact O-CA 3.49Å
280	E	81	Confident	71.2	Confident	83 Å²	83	61.9 Å²	61.9	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-84.5	-33.3	174.8	-67	161.7	-175.5	0	0	111	F268 I276 K277 K278	F268-E280 HydrophobicContact CE1-CB 4.43Å; F268-E280 HydrophobicContact CZ-CB 3.99Å; F268-E280 WeakPolarHBondContact CZ-O 3.46Å; I276-E280 HydrophobicContact CG2-CB 3.97Å; K277-E280 HydrophobicContact CB-CB 4.33Å; K277-E280 HydrophobicContact CB-CG 3.99Å; K277-E280 WeakPolarHBondContact CD-OE1 3.47Å; K277-E280 PolarHBondContact N-OE2 2.75Å; K277-E280 IonicContact NZ-OE1 2.76Å; K277-E280 PolarHBondContact NZ-OE1 3Å; K277-E280 WeakPolarHBondContact O-CB 3.5Å; K277-E280 PolarHBondContact O-N 3.31Å; K278-E280 PolarHBondContact O-N 2.77Å
281	L	82.1	Confident	70.6	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-74.8	-32.5	172.8	-64.6	166.9	0	0	0	112.9	C237 T238 C239 I241 V242 K245 F268 L273 I276 K277 K278	C237-L281 HydrophobicContact CB-CD2 3.84Å; C237-L281 WeakPolarHBondContact O-CD2 3.42Å; T238-L281 CarbonylContact C-O 3.49Å; C239-L281 WeakPolarHBondContact CA-O 3.37Å; C239-L281 PolarHBondContact N-O 3.34Å; C239-L281 VanDerWaalsContact N-O 3.09Å; I241-L281 HydrophobicContact CG2-CD1 3.87Å; I241-L281 HydrophobicContact CG2-CD2 3.96Å; I241-L281 HydrophobicContact CG2-CG 4.41Å; V242-L281 HydrophobicContact CG2-CB 3.67Å; V242-L281 HydrophobicContact CG2-CD1 4.05Å; K245-L281 HydrophobicContact CD-CD1 3.89Å; F268-L281 HydrophobicContact CD2-CD2 4.18Å; F268-L281 HydrophobicContact CE2-CD2 4.03Å; L273-L281 HydrophobicContact CD1-CD1 3.82Å; L273-L281 HydrophobicContact CD1-CD2 4.49Å; I276-L281 HydrophobicContact CB-CD2 4.31Å; I276-L281 HydrophobicContact CB-CG 4.36Å; I276-L281 HydrophobicContact CD1-CD2 4.21Å; I276-L281 HydrophobicContact CG2-CD1 4.45Å; I276-L281 HydrophobicContact CG2-CD2 3.79Å; I276-L281 HydrophobicContact CG2-CG 3.75Å; K277-L281 PolarHBondContact O-N 2.84Å; K277-L281 VanDerWaalsContact O-N 3.08Å; K278-L281 PolarHBondContact O-N 3.45Å
282	C	80.9	Confident	69.9	Low	9 Å²	9	63.1 Å²	63.1	6%	0.061	34%	0.34	C	S	.	.			trans	-141.8	86.9	-178.8	-158.1	0	0	0	0	112	C239 V242 K278 L284	C239-C282 HydrophobicContact CB-CB 3.55Å; C239-C282 WeakPolarHBondContact CB-SG 3.38Å; C239-C282 WeakPolarHBondContact SG-CB 3.4Å; C239-C282 CovalentContact SG-SG 2.04Å; C239-C282 PolarHBondContact SG-SG 3.48Å; V242-C282 HydrophobicContact CG2-CB 4.28Å; K278-C282 PolarHBondContact O-N 3.38Å; C282-L284 PolarHBondContact O-N 3.28Å
283	P	68	Low	68.4	Low	109 Å²	109	67 Å²	67	71%	0.708	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	2.2	-177.7	31.1	-36.5	0	0	0	114.8	T279	T279-P283 WeakPolarHBondContact O-CA 3.49Å
284	L	59	Low	66.9	Low	159 Å²	159	68.8 Å²	68.8	83%	0.832	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-1.4	-173.7	-68.8	175.2	0	0	0	114.7	C282	C282-L284 PolarHBondContact O-N 3.28Å
285	L	59.8	Low	65.2	Low	71 Å²	71	66 Å²	66	37%	0.372	38%	0.379	S	S	.	.	S	Bend	trans	-133.3	138.6	179.1	-66.9	172.9	0	0	0	109.9	E289 V290	L285-E289 HydrophobicContact CD2-CB 4.2Å; L285-V290 HydrophobicContact CB-CG2 3.68Å; L285-V290 HydrophobicContact CD1-CG2 4.24Å
286	S	59.3	Low	64	Low	51 Å²	51	62.8 Å²	62.8	36%	0.357	36%	0.364	S	S	.	.			trans	-72.6	155.4	168.3	67.9	0	0	0	0	111.1	S288 E289 V290	S286-S288 PolarHBondContact O-N 2.97Å; S286-E289 VanDerWaalsContact CB-OE2 3.25Å; S286-E289 WeakPolarHBondContact CB-OE2 3.29Å; S286-E289 PolarHBondContact N-OE2 2.91Å; S286-E289 PolarHBondContact O-N 2.89Å; S286-E289 VanDerWaalsContact OG-CD 3.3Å; S286-E289 WeakPolarHBondContact OG-CG 3Å; S286-E289 PolarHBondContact OG-N 3.22Å; S286-E289 PolarHBondContact OG-OE2 2.66Å; S286-V290 WeakPolarHBondContact O-CG2 3.24Å; S286-V290 PolarHBondContact O-N 3.1Å
287	D	56.8	Low	62.2	Low	86 Å²	86	66.7 Å²	66.7	46%	0.46	39%	0.39	S	S	.	.	H	α-helix	trans	-52.2	-33.4	176.2	-71.8	-56.6	0	0	0	112.3	E291	D287-E291 PolarHBondContact O-N 3.29Å
288	S	54.5	Low	60.3	Low	86 Å²	86	66.7 Å²	66.7	60%	0.601	39%	0.392	S	S	*	.	H	α-helix	trans	-64.9	-42.6	176.1	-50.9	0	0	0	0	113.3	S286 A292	S286-S288 PolarHBondContact O-N 2.97Å; S288-A292 WeakPolarHBondContact O-CB 3.26Å; S288-A292 PolarHBondContact O-N 2.74Å; S288-A292 VanDerWaalsContact O-N 3.11Å
289	E	57.4	Low	58	Low	104 Å²	104	73.1 Å²	73.1	49%	0.486	43%	0.427	S	S	.	.	H	α-helix	trans	-76.2	-33.5	179	-67.9	157.8	132.4	0	0	111.1	L285 S286 A292 S293	L285-E289 HydrophobicContact CD2-CB 4.2Å; S286-E289 VanDerWaalsContact CB-OE2 3.25Å; S286-E289 WeakPolarHBondContact CB-OE2 3.29Å; S286-E289 PolarHBondContact N-OE2 2.91Å; S286-E289 PolarHBondContact O-N 2.89Å; S286-E289 VanDerWaalsContact OG-CD 3.3Å; S286-E289 WeakPolarHBondContact OG-CG 3Å; S286-E289 PolarHBondContact OG-N 3.22Å; S286-E289 PolarHBondContact OG-OE2 2.66Å; E289-A292 PolarHBondContact O-N 3.24Å; E289-S293 WeakPolarHBondContact O-CB 3.22Å; E289-S293 PolarHBondContact O-N 3.39Å
290	V	55.9	Low	55.8	Low	6 Å²	6	73.9 Å²	73.9	4%	0.036	44%	0.436	C	S	.	.	H	α-helix	trans	-59.2	-49.3	170.1	171.3	0	0	0	0	110.6	V242 L285 S286 L294	V242-V290 HydrophobicContact CG1-CG1 3.65Å; L285-V290 HydrophobicContact CB-CG2 3.68Å; L285-V290 HydrophobicContact CD1-CG2 4.24Å; S286-V290 WeakPolarHBondContact O-CG2 3.24Å; S286-V290 PolarHBondContact O-N 3.1Å; V290-L294 HydrophobicContact CG1-CD1 3.68Å; V290-L294 WeakPolarHBondContact O-CB 3.39Å; V290-L294 VanDerWaalsContact O-CD1 3.3Å; V290-L294 WeakPolarHBondContact O-CD1 3.39Å; V290-L294 WeakPolarHBondContact O-CG 3.15Å; V290-L294 PolarHBondContact O-N 3.23Å
291	E	56.4	Low	53.7	Low	60 Å²	60	74.8 Å²	74.8	28%	0.28	45%	0.451	S	S	.	.	H	α-helix	trans	-65.4	-42.7	178	-70.6	-161.3	130	0	0	112.8	R250 D287 I296	R250-E291 IonicContact CZ-OE1 2.68Å; R250-E291 VanDerWaalsContact CZ-OE1 3.26Å; R250-E291 IonicContact NH1-OE1 3.58Å; R250-E291 PolarHBondContact NH1-OE1 3.37Å; R250-E291 IonicContact NH2-OE1 3.99Å; R250-E291 PolarHBondContact NH2-OE1 3.36Å; D287-E291 PolarHBondContact O-N 3.29Å; E291-I296 PolarHBondContact O-N 3.5Å
292	A	54.8	Low	51.3	Low	60 Å²	60	79.1 Å²	79.1	50%	0.496	48%	0.482	S	S	.	.	H	α-helix	trans	-68.1	-41	-179.7	0	0	0	0	0	113.4	S288 E289	S288-A292 WeakPolarHBondContact O-CB 3.26Å; S288-A292 PolarHBondContact O-N 2.74Å; S288-A292 VanDerWaalsContact O-N 3.11Å; E289-A292 PolarHBondContact O-N 3.24Å
293	S	49.6	Very low	49.3	Very low	92 Å²	92	88.2 Å²	88.2	64%	0.643	52%	0.521	S	S	*	.	H	α-helix	trans	-70.4	-30.2	-178.4	-175.4	0	0	0	0	113	E289	E289-S293 WeakPolarHBondContact O-CB 3.22Å; E289-S293 PolarHBondContact O-N 3.39Å
294	L	52.2	Low	47.6	Very low	37 Å²	37	91.8 Å²	91.8	19%	0.194	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	4.6	-170.5	-61.4	173.7	0	0	0	114.2	Q243 V290 I296	Q243-L294 HydrophobicContact CG-CB 4.38Å; Q243-L294 HydrophobicContact CG-CD1 3.67Å; Q243-L294 HydrophobicContact CG-CD2 3.77Å; Q243-L294 HydrophobicContact CG-CG 4.14Å; V290-L294 HydrophobicContact CG1-CD1 3.68Å; V290-L294 WeakPolarHBondContact O-CB 3.39Å; V290-L294 VanDerWaalsContact O-CD1 3.3Å; V290-L294 WeakPolarHBondContact O-CD1 3.39Å; V290-L294 WeakPolarHBondContact O-CG 3.15Å; V290-L294 PolarHBondContact O-N 3.23Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 HydrophobicContact CB-CD1 4.34Å; L294-I296 HydrophobicContact CB-CG1 4.26Å; L294-I296 PolarHBondContact O-N 3.43Å
295	G	47	Very low	46.8	Very low	42 Å²	42	92.1 Å²	92.1	43%	0.433	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	27.4	176.6	0	0	0	0	0	113.9
296	I	51.9	Low	45.2	Very low	10 Å²	10	92.9 Å²	92.9	5%	0.051	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-77.1	136	176.9	-63.1	179	0	0	0	108.6	Y214 E291 L294 H298	Y214-I296 HydrophobicContact CD1-CG1 4.02Å; Y214-I296 HydrophobicContact CE1-CG1 4.08Å; Y214-I296 HydrophobicContact CG-CG1 4.5Å; E291-I296 PolarHBondContact O-N 3.5Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 HydrophobicContact CB-CD1 4.34Å; L294-I296 HydrophobicContact CB-CG1 4.26Å; L294-I296 PolarHBondContact O-N 3.43Å; I296-H298 PolarHBondContact O-N 3.37Å; I296-H298 VanDerWaalsContact O-N 3.14Å
297	P	41.2	Very low	43.7	Very low	88 Å²	88	101.1 Å²	101.1	57%	0.571	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-63.3	116.1	179	-23.2	34	0	0	0	112.4	L299	P297-L299 PolarHBondContact O-N 3.49Å
298	H	40	Very low	42.4	Very low	123 Å²	123	102.9 Å²	102.9	57%	0.569	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-65.6	123.3	167.8	-73.6	-69.5	0	0	0	110.3	I296 S300	I296-H298 PolarHBondContact O-N 3.37Å; I296-H298 VanDerWaalsContact O-N 3.14Å; H298-S300 VanDerWaalsContact C-N 3.35Å; H298-S300 PolarHBondContact O-N 3.27Å; H298-S300 VanDerWaalsContact O-N 3.09Å
299	L	34.6	Very low	41.2	Very low	172 Å²	172	105 Å²	105	90%	0.901	60%	0.596	S	S	*	*			trans	-76.4	89.9	160.1	-114.5	75.2	0	0	0	108.8	P297 S301	P297-L299 PolarHBondContact O-N 3.49Å; L299-S301 PolarHBondContact O-N 3.1Å; L299-S301 VanDerWaalsContact O-N 3.15Å
300	S	29.7	Very low	40	Very low	96 Å²	96	109.1 Å²	109.1	67%	0.671	61%	0.612	S	S	*	*			trans	-62.8	113	169.5	54.5	0	0	0	0	109.6	H298 S302	H298-S300 VanDerWaalsContact C-N 3.35Å; H298-S300 PolarHBondContact O-N 3.27Å; H298-S300 VanDerWaalsContact O-N 3.09Å; S300-S302 VanDerWaalsContact C-N 3.34Å; S300-S302 PolarHBondContact O-N 3.26Å
301	S	36.5	Very low	38.6	Very low	102 Å²	102	114.4 Å²	114.4	71%	0.713	65%	0.647	S	S	*	*			trans	-73.3	84.5	-178.4	-167.5	0	0	0	0	111.5	L299	L299-S301 PolarHBondContact O-N 3.1Å; L299-S301 VanDerWaalsContact O-N 3.15Å
302	S	31.3	Very low	37.3	Very low	98 Å²	98	117.4 Å²	117.4	69%	0.685	67%	0.674	S	S	*	*			trans	-115.3	79.1	176	60.9	0	0	0	0	111.3	S300	S300-S302 VanDerWaalsContact C-N 3.34Å; S300-S302 PolarHBondContact O-N 3.26Å
303	K	39.9	Very low	36	Very low	201 Å²	201	119.4 Å²	119.4	87%	0.874	68%	0.684	S	S	*	*			trans	33.6	89.3	159.3	-63.9	-179.7	177.9	177.6	0	117.4
304	E	31.8	Very low	35.3	Very low	183 Å²	183	123.1 Å²	123.1	86%	0.855	69%	0.694	S	S	*	*				-155.8	109.7	126.5	-117.3	168	-151.9	0	0	112.3	A306	E304-A306 PolarHBondContact O-N 3.19Å; E304-A306 VanDerWaalsContact O-N 3.13Å
305	N	41.7	Very low	34.2	Very low	166 Å²	166	129.5 Å²	129.5	89%	0.888	73%	0.727	S	S	*	*	S	Bend	trans	37.9	52.3	151.3	-58.1	-16.8	0	0	0	121.2
306	A	27	Very low	33.3	Very low	87 Å²	87	132 Å²	132	72%	0.719	74%	0.738	S	S	*	*			trans	-151.1	102.3	155.2	0	0	0	0	0	113	E304	E304-A306 PolarHBondContact O-N 3.19Å; E304-A306 VanDerWaalsContact O-N 3.13Å
307	W	26.9	Very low	32.2	Very low	225 Å²	225	136.8 Å²	136.8	85%	0.852	77%	0.773	S	S	*	*			trans	-115.2	108	167.1	-74.8	89.1	0	0	0	110	T309	W307-T309 PolarHBondContact O-N 3.15Å
308	P	29.7	Very low	31.5	Very low	122 Å²	122	138.8 Å²	138.8	79%	0.792	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64	118.5	161.4	-17.6	31.8	0	0	0	108.7	K310	P308-K310 PolarHBondContact O-N 3.45Å
309	T	30.4	Very low	30.8	Very low	130 Å²	130	141.1 Å²	141.1	80%	0.798	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.1	122.1	-178.6	34.7	0	0	0	0	111	W307 P311	W307-T309 PolarHBondContact O-N 3.15Å; T309-P311 WeakPolarHBondContact O-CD 3.38Å
310	K	31.1	Very low	30.4	Very low	191 Å²	191	142.6 Å²	142.6	83%	0.83	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-64.8	123.2	165	-66.8	-178.3	179.3	-179.1	0	108.7	P308 S312	P308-K310 PolarHBondContact O-N 3.45Å; K310-S312 PolarHBondContact O-N 3.44Å; K310-S312 VanDerWaalsContact O-N 3.16Å
311	P	27.4	Very low	30.2	Very low	117 Å²	117	144.2 Å²	144.2	76%	0.76	80%	0.799	S	S	*	*			trans	-72.7	105	165.9	29	-31.3	0	0	0	109.1	T309 S313	T309-P311 WeakPolarHBondContact O-CD 3.38Å; P311-S313 PolarHBondContact O-N 3.4Å
312	S	28.1	Very low	29.8	Very low	124 Å²	124	144.5 Å²	144.5	87%	0.867	81%	0.808	S	S	*	*			trans	-73.8	92.3	175.9	-64.6	0	0	0	0	111.1	K310	K310-S312 PolarHBondContact O-N 3.44Å; K310-S312 VanDerWaalsContact O-N 3.16Å
313	S	29.2	Very low	29.5	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	81%	0.812	S	S	*	*			trans	-140.8	61.5	172.4	65.6	0	0	0	0	111.9	P311	P311-S313 PolarHBondContact O-N 3.4Å
314	M	34.8	Very low	28.9	Very low	171 Å²	171	140.5 Å²	140.5	84%	0.842	81%	0.805	S	S	*	*			trans	-139.2	153.5	169.8	-83.1	-69.1	172	0	0	109
315	L	28.5	Very low	28.6	Very low	170 Å²	170	137.7 Å²	137.7	89%	0.89	80%	0.8	S	S	*	*			trans	70.8	132.3	-165.5	-66.2	94.2	0	0	0	113.6
316	S	28	Very low	27.7	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	79%	0.794	S	S	*	*			cis	-159.8	158.2	2.7	52.7	0	0	0	0	115.1
317	S	27.7	Very low	27.6	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	80%	0.796	S	S	*	*			trans	71.8	159.2	156.3	78.4	0	0	0	0	117.8
318	V	26.7	Very low	27.4	Very low	129 Å²	129	141 Å²	141	78%	0.782	80%	0.795	S	S	*	*			cis	-134.7	160.8	14.1	-170.7	0	0	0	0	112
319	H	26.9	Very low	27.1	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.796	80%	0.796	S	S	*	*			trans	-78.3	159.5	176.7	-57.9	-101.6	0	0	0	115.6
320	F	26	Very low	27	Very low	203 Å²	203	139.4 Å²	139.4	89%	0.89	79%	0.792	S	S	*	*			trans	-161.9	146.7	139.3	-80	-55.3	0	0	0	107.7
321	T	25.7	Very low	26.8	Very low	131 Å²	131	137.6 Å²	137.6	80%	0.804	79%	0.791	S	S	*	*			cis	-144.6	147.5	-14.6	27	0	0	0	0	108.3
322	A	26.1	Very low	26.9	Very low	108 Å²	108	142.2 Å²	142.2	89%	0.893	80%	0.799	S	S	*	*			trans	-137.1	137.1	155.1	0	0	0	0	0	107.5
323	S	26.9	Very low	27.2	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	80%	0.8	S	S	*	*			trans	-106	155.4	-170.9	48.8	0	0	0	0	113.1
324	S	25.7	Very low	27.6	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	80%	0.803	S	S	*	*			trans	107.1	118.5	155.6	-43.8	0	0	0	0	116.9
325	V	26.7	Very low	27.3	Very low	124 Å²	124	148 Å²	148	75%	0.752	81%	0.806	S	S	*	*				63	125.4	125.6	179.5	0	0	0	0	116.8
326	E	23.3	Very low	27.6	Very low	160 Å²	160	145.4 Å²	145.4	75%	0.748	80%	0.8	S	S	*	*			cis	-157.1	146.4	22.4	-145.3	151.3	-149.6	0	0	115.7
327	Y	23.6	Very low	27.8	Very low	199 Å²	199	146.8 Å²	146.8	78%	0.78	80%	0.804	S	S	*	*			trans	46.4	149.7	147.9	-92.1	-105.1	0	0	0	126.7
328	K	23.6	Very low	28.1	Very low	189 Å²	189	150.8 Å²	150.8	82%	0.822	81%	0.808	S	S	*	*			trans	72.7	144.4	159.5	-71.1	172.6	-174	171.2	0	118
329	S	23.6	Very low	28.5	Very low	116 Å²	116	153.7 Å²	153.7	81%	0.811	81%	0.813	S	S	*	*			cis	-166.6	167.2	-22.7	-164.3	0	0	0	0	111.6
330	S	27.4	Very low	29.1	Very low	101 Å²	101	151 Å²	151	71%	0.706	81%	0.811	S	S	*	*			trans	93.6	84.3	158.8	-166.4	0	0	0	0	120.6
331	N	26.5	Very low	29.2	Very low	153 Å²	153	153.2 Å²	153.2	82%	0.818	81%	0.813	S	S	*	*				30	118.9	123.7	-71.4	-22.1	0	0	0	120.4
332	K	30.5	Very low	29.6	Very low	214 Å²	214	153.4 Å²	153.4	93%	0.93	82%	0.815	S	S	*	*				-162	154.3	101.8	-103.7	164.1	-175.9	174.4	0	112
333	Q	33.3	Very low	29.9	Very low	191 Å²	191	154.5 Å²	154.5	89%	0.893	81%	0.813	S	S	*	*			trans	-90.7	157.6	-174.5	-85.6	-170.2	-12.4	0	0	114.2
334	P	37.9	Very low	30	Very low	118 Å²	118	160.3 Å²	160.3	77%	0.766	82%	0.817	S	S	*	*			trans	-94.6	172.1	178.1	39.1	-36.8	0	0	0	113.8
335	K	28.7	Very low	30.5	Very low	209 Å²	209	160.9 Å²	160.9	91%	0.909	82%	0.818	S	S	*	*			trans	-138.7	152.6	154.8	-89.9	-170.4	177.2	177.4	0	112.1
336	P	35.2	Very low	30.9	Very low	115 Å²	115	161.2 Å²	161.2	75%	0.747	82%	0.823	S	S	*	*			trans	-115.7	168.3	-165.4	42.1	-33.4	0	0	0	115.3
337	T	31.2	Very low	31.2	Very low	125 Å²	125	159.1 Å²	159.1	77%	0.767	83%	0.826	S	S	*	*			trans	172	152.7	145	28	0	0	0	0	107.4
338	K	34.5	Very low	31.6	Very low	195 Å²	195	156.6 Å²	156.6	85%	0.848	83%	0.832	S	S	*	*			cis	-148.2	173.9	4	-121.6	157.5	-174	175.9	0	109.5
339	Q	35.8	Very low	32.1	Very low	189 Å²	189	153 Å²	153	88%	0.883	83%	0.83	S	S	*	*			trans	-84.9	171.8	-170.6	-98.9	-174.5	-14.5	0	0	115.6
340	P	38.7	Very low	32.4	Very low	117 Å²	117	156.6 Å²	156.6	76%	0.76	83%	0.834	S	S	*	*			trans	-99.6	-177.6	-149.9	40.5	-40.3	0	0	0	116.7
341	R	29.1	Very low	32.4	Very low	248 Å²	248	156 Å²	156	94%	0.936	84%	0.836	S	S	*	*			trans	-132.6	157.9	163.7	-87	-175.3	167.4	173.1	-4	111.8
342	T	32.8	Very low	32.6	Very low	136 Å²	136	156.8 Å²	156.8	83%	0.834	84%	0.839	S	S	*	*			trans	-87.1	159.1	-171.9	40	0	0	0	0	114.1
343	P	33.2	Very low	32.7	Very low	131 Å²	131	157.1 Å²	157.1	85%	0.851	84%	0.836	S	S	*	*			trans	-82.2	160.6	-172.8	33.2	-36.7	0	0	0	114.3
344	R	28.9	Very low	32.8	Very low	233 Å²	233	153.9 Å²	153.9	88%	0.879	83%	0.832	S	S	*	*			trans	-124.2	139.8	173.2	-166	178.3	-166.8	-170.4	4.2	108.5
345	P	34.9	Very low	32.8	Very low	115 Å²	115	151.5 Å²	151.5	75%	0.747	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-69.4	151.1	-173.9	27	-35.6	0	0	0	113.3
346	P	36.5	Very low	33.4	Very low	131 Å²	131	147.4 Å²	147.4	85%	0.851	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.2	168.6	178.9	32.9	-36	0	0	0	113.5
347	S	29.3	Very low	33.9	Very low	116 Å²	116	149.4 Å²	149.4	81%	0.811	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-87.2	153.6	-168.6	51.2	0	0	0	0	115.4
348	T	32.8	Very low	34.2	Very low	146 Å²	146	152.2 Å²	152.2	90%	0.896	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-57.9	145.5	164.1	9.3	0	0	0	0	112.8
349	S	32.8	Very low	34.1	Very low	114 Å²	114	148.3 Å²	148.3	80%	0.797	83%	0.826	S	S	*	*			trans	-117.6	148.6	165.1	55.6	0	0	0	0	110.3
350	Q	29.8	Very low	34	Very low	191 Å²	191	145.5 Å²	145.5	89%	0.893	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-73.6	151.9	-165.1	-67.1	149.5	-71.4	0	0	114.1
351	A	28.6	Very low	34	Very low	90 Å²	90	147 Å²	147	74%	0.744	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-84.7	144.4	169.6	0	0	0	0	0	111.5
352	L	29.7	Very low	34.2	Very low	168 Å²	168	138.6 Å²	138.6	88%	0.88	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-102.4	136.9	158.7	-80.7	92.3	0	0	0	109.4
353	Y	32.2	Very low	34.1	Very low	222 Å²	222	137.9 Å²	137.9	87%	0.871	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-87.1	128.7	171.8	-76.2	-93.6	0	0	0	110.8
354	P	35.3	Very low	34	Very low	123 Å²	123	141.5 Å²	141.5	80%	0.799	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75	146.5	158.2	-12.1	29.2	0	0	0	110.8
355	G	37.9	Very low	33.9	Very low	67 Å²	67	139.6 Å²	139.6	69%	0.691	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.4	165.2	174	0	0	0	0	0	113.6
356	P	42.7	Very low	33.9	Very low	123 Å²	123	140.1 Å²	140.1	80%	0.799	81%	0.807	S	S	*	*	S	Bend	trans	-77	125	-177.6	30.7	-33.9	0	0	0	112.4
357	N	45	Very low	33.7	Very low	158 Å²	158	145 Å²	145	85%	0.845	81%	0.808	S	S	*	*			trans	154.4	55.4	144.4	-78.5	-17.5	0	0	0	113
358	Q	36.7	Very low	33.9	Very low	184 Å²	184	144.9 Å²	144.9	86%	0.86	80%	0.804	S	S	*	*			trans	-136.9	139.6	161.8	-70.3	-171.5	-14.6	0	0	109.9
359	P	33.7	Very low	34.4	Very low	112 Å²	112	143.8 Å²	143.8	73%	0.727	80%	0.799	S	S	*	*			trans	-72.4	149.3	177.8	30.8	-34.8	0	0	0	111.2	I361	P359-I361 PolarHBondContact O-N 2.8Å; P359-I361 VanDerWaalsContact O-N 3.15Å
360	P	34.3	Very low	35.2	Very low	130 Å²	130	142.7 Å²	142.7	84%	0.844	78%	0.784	S	S	*	*			trans	-71.3	111.2	-176.1	28.2	-34.2	0	0	0	111.7	A362	P360-A362 PolarHBondContact O-N 3.41Å
361	I	37.1	Very low	36.2	Very low	148 Å²	148	138 Å²	138	76%	0.759	77%	0.77	S	S	*	*			trans	-71.3	115.5	163.9	-61.1	173.8	0	0	0	107.2	P359	P359-I361 PolarHBondContact O-N 2.8Å; P359-I361 VanDerWaalsContact O-N 3.15Å
362	A	33.2	Very low	37.8	Very low	72 Å²	72	138.4 Å²	138.4	60%	0.595	76%	0.759	S	S	*	*			trans	-65.1	129.2	176.7	0	0	0	0	0	110.2	P360 Y364	P360-A362 PolarHBondContact O-N 3.41Å; A362-Y364 PolarHBondContact O-N 3.1Å
363	P	31.2	Very low	39.7	Very low	121 Å²	121	132.8 Å²	132.8	79%	0.786	73%	0.729	S	S	*	*			trans	-68.3	116.4	176	27.5	-32.8	0	0	0	109.4	Q365	P363-Q365 PolarHBondContact O-N 3.4Å
364	Y	30.8	Very low	41.9	Very low	207 Å²	207	124.1 Å²	124.1	81%	0.812	70%	0.7	S	S	*	*			trans	-60.4	110.7	173.6	-57.5	-80.7	0	0	0	109.3	A362 T366	A362-Y364 PolarHBondContact O-N 3.1Å; Y364-T366 PolarHBondContact O-N 3.49Å
365	Q	28	Very low	44.2	Very low	193 Å²	193	118.4 Å²	118.4	90%	0.902	66%	0.663	S	S	*	*			trans	-72.1	93.5	179.7	-158.7	175.5	27.9	0	0	108.6	P363 R367	P363-Q365 PolarHBondContact O-N 3.4Å; Q365-R367 PolarHBondContact O-N 2.97Å
366	T	34.8	Very low	46.1	Very low	127 Å²	127	119.9 Å²	119.9	78%	0.779	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-57.4	126	175.8	46.7	0	0	0	0	108.8	Y364	Y364-T366 PolarHBondContact O-N 3.49Å
367	R	32.2	Very low	47.5	Very low	234 Å²	234	116.2 Å²	116.2	88%	0.883	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-55.5	140.6	169.9	-76.3	-176.8	174.7	178.4	-1.3	108.2	Q365	Q365-R367 PolarHBondContact O-N 2.97Å
368	P	32.6	Very low	49.3	Very low	113 Å²	113	109.4 Å²	109.4	73%	0.734	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-56.1	143.2	175.4	24.9	-34.1	0	0	0	109.6	I370	P368-I370 PolarHBondContact O-N 2.96Å
369	P	44	Very low	51.3	Low	122 Å²	122	104 Å²	104	79%	0.792	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-58.1	133.4	-179.8	24.7	-33.8	0	0	0	109.8
370	I	49.5	Very low	53.6	Low	92 Å²	92	99.8 Å²	99.8	47%	0.472	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-58.6	126.6	176.1	-58.5	174.4	0	0	0	107.1	P368 I372	P368-I370 PolarHBondContact O-N 2.96Å; I370-I372 PolarHBondContact O-N 2.99Å; I370-I372 VanDerWaalsContact O-N 3.13Å
371	P	51.2	Low	55.5	Low	93 Å²	93	98.6 Å²	98.6	60%	0.604	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-61.2	120.5	-178.8	23.9	-33.1	0	0	0	109.6	I373	P371-I373 PolarHBondContact O-N 3.49Å
372	I	62.6	Low	56.9	Low	98 Å²	98	95.1 Å²	95.1	50%	0.503	53%	0.53	S	S	.	.			trans	-74.8	93.6	178.9	-57.4	173.3	0	0	0	107.9	I370 C374 L382 L389	I370-I372 PolarHBondContact O-N 2.99Å; I370-I372 VanDerWaalsContact O-N 3.13Å; I372-C374 PolarHBondContact O-N 3.28Å; I372-L382 HydrophobicContact CD1-CB 3.97Å; I372-L382 HydrophobicContact CD1-CD2 3.84Å; I372-L382 HydrophobicContact CD1-CG 4.49Å; I372-L382 HydrophobicContact CG1-CD2 4.17Å; I372-L389 HydrophobicContact CG2-CD1 3.73Å; I372-L389 HydrophobicContact CG2-CD2 4.36Å
373	I	68.7	Low	58.1	Low	49 Å²	49	95 Å²	95	25%	0.251	52%	0.517	S	S	.	.			trans	-82.7	113.5	175.7	-58.3	-173.5	0	0	0	108.2	P371 P406 R407 P408 L409	P371-I373 PolarHBondContact O-N 3.49Å; I373-P406 HydrophobicContact CG2-CB 3.52Å; I373-P406 HydrophobicContact CG2-CG 3.51Å; I373-R407 VanDerWaalsContact CG2-O 3.26Å; I373-R407 WeakPolarHBondContact CG2-O 3.39Å; I373-P408 WeakPolarHBondContact O-CA 3.31Å; I373-P408 WeakPolarHBondContact O-CB 3.2Å; I373-L409 HydrophobicContact CD1-CD1 3.79Å; I373-L409 HydrophobicContact CD1-CG 4.14Å
374	C	78.4	Confident	58.8	Low	40 Å²	40	96.1 Å²	96.1	27%	0.27	52%	0.515	S	S	.	.			trans	-114.8	135.4	176.8	-167.9	0	0	0	0	110.2	I372 C380 P406	I372-C374 PolarHBondContact O-N 3.28Å; C374-C380 WeakPolarHBondContact CA-SG 3.43Å; C374-C380 HydrophobicContact CB-CB 3.68Å; C374-C380 WeakPolarHBondContact CB-SG 3.32Å; C374-C380 WeakPolarHBondContact SG-CB 3.45Å; C374-C380 CovalentContact SG-SG 2.03Å; C374-C380 PolarHBondContact SG-SG 2.9Å; C374-P406 WeakPolarHBondContact O-CD 3.37Å; C374-P406 WeakPolarHBondContact O-CG 3.26Å
375	P	83.7	Confident	59.4	Low	3 Å²	3	91 Å²	91	2%	0.019	50%	0.501	C	S	.	.			trans	-62.6	149.2	176.8	-21.1	32.4	0	0	0	112.2	G377 C378 V391 L404 P406 P408	P375-G377 PolarHBondContact O-N 3.34Å; P375-C378 HydrophobicContact CB-CB 4.15Å; P375-C378 HydrophobicContact CG-CB 4.37Å; P375-C378 PolarHBondContact O-N 3.32Å; P375-C378 VanDerWaalsContact O-N 3.11Å; P375-V391 HydrophobicContact CG-CG1 4.34Å; P375-L404 HydrophobicContact CB-CB 4.29Å; P375-L404 HydrophobicContact CB-CD2 4.13Å; P375-L404 HydrophobicContact CG-CB 4.24Å; P375-L404 HydrophobicContact CG-CD2 4.25Å; P375-P406 WeakPolarHBondContact CA-O 3.13Å; P375-P408 HydrophobicContact CG-CG 4.21Å
376	T	76.9	Confident	60.6	Low	99 Å²	99	86.5 Å²	86.5	61%	0.607	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	133.3	173.6	52.9	0	0	0	0	109.9	C378 L405	T376-C378 VanDerWaalsContact C-N 3.31Å; T376-C378 PolarHBondContact O-N 2.86Å; T376-L405 WeakPolarHBondContact CG2-O 3.49Å; T376-L405 PolarHBondContact N-O 3.41Å; T376-L405 PolarHBondContact OG1-O 2.89Å
377	G	72.5	Confident	61.8	Low	45 Å²	45	85.9 Å²	85.9	46%	0.464	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	4.6	-175.2	0	0	0	0	0	116.1	P375 R396	P375-G377 PolarHBondContact O-N 3.34Å; G377-R396 VanDerWaalsContact O-CD 3.3Å; G377-R396 WeakPolarHBondContact O-CD 3.44Å; G377-R396 WeakPolarHBondContact O-CG 3.41Å; G377-R396 PolarHBondContact O-NE 3.18Å; G377-R396 VanDerWaalsContact O-NE 3.16Å; G377-R396 PolarHBondContact O-NH1 2.65Å
378	C	82.9	Confident	63.4	Low	16 Å²	16	75 Å²	75	11%	0.108	44%	0.436	C	S	.	.			trans	-107.7	163.8	172.7	-60	0	0	0	0	112.3	P375 T376 V391 N392 C393	P375-C378 HydrophobicContact CB-CB 4.15Å; P375-C378 HydrophobicContact CG-CB 4.37Å; P375-C378 PolarHBondContact O-N 3.32Å; P375-C378 VanDerWaalsContact O-N 3.11Å; T376-C378 VanDerWaalsContact C-N 3.31Å; T376-C378 PolarHBondContact O-N 2.86Å; C378-V391 HydrophobicContact CB-CG1 4.37Å; C378-N392 CarbonylContact C-O 3.6Å; C378-N392 WeakPolarHBondContact CA-O 3.49Å; C378-N392 VanDerWaalsContact CB-O 3.29Å; C378-N392 WeakPolarHBondContact CB-O 3.25Å; C378-C393 HydrophobicContact CB-CB 4.18Å; C378-C393 WeakPolarHBondContact CB-SG 3.01Å; C378-C393 WeakPolarHBondContact SG-CB 3.35Å; C378-C393 CovalentContact SG-SG 2.03Å; C378-C393 PolarHBondContact SG-SG 2.04Å
379	T	79.3	Confident	65.6	Low	69 Å²	69	69.9 Å²	69.9	42%	0.423	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.8	170.1	52.2	0	0	0	0	109.6	N392	T379-N392 PolarHBondContact N-O 3.05Å; T379-N392 PolarHBondContact O-N 3.15Å
380	C	80.7	Confident	67.4	Low	25 Å²	25	65 Å²	65	17%	0.169	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126	-175.8	-51.3	0	0	0	0	112.1	C374 L389 T390 V391	C374-C380 WeakPolarHBondContact CA-SG 3.43Å; C374-C380 HydrophobicContact CB-CB 3.68Å; C374-C380 WeakPolarHBondContact CB-SG 3.32Å; C374-C380 WeakPolarHBondContact SG-CB 3.45Å; C374-C380 CovalentContact SG-SG 2.03Å; C374-C380 PolarHBondContact SG-SG 2.9Å; C380-L389 HydrophobicContact CB-CD1 3.92Å; C380-L389 HydrophobicContact CB-CG 4.35Å; C380-T390 CarbonylContact C-O 3.56Å; C380-T390 VanDerWaalsContact CA-O 3.25Å; C380-T390 WeakPolarHBondContact CA-O 3.3Å; C380-V391 HydrophobicContact CB-CG2 4.47Å
381	N	75.5	Confident	69.2	Low	105 Å²	105	60.6 Å²	60.6	56%	0.561	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.3	-177.6	-65.9	-25.7	0	0	0	109.7	T390	N381-T390 PolarHBondContact N-O 2.81Å; N381-T390 PolarHBondContact O-N 3.27Å
382	L	67.1	Low	70.6	Confident	74 Å²	74	57.6 Å²	57.6	39%	0.387	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.1	177.7	-175.9	70.4	0	0	0	110.5	I372 L389	I372-L382 HydrophobicContact CD1-CB 3.97Å; I372-L382 HydrophobicContact CD1-CD2 3.84Å; I372-L382 HydrophobicContact CD1-CG 4.49Å; I372-L382 HydrophobicContact CG1-CD2 4.17Å; L382-L389 HydrophobicContact CB-CD1 4.25Å; L382-L389 HydrophobicContact CD1-CB 4.41Å; L382-L389 HydrophobicContact CD1-CD1 4.36Å
383	H	57.5	Low	71.7	Confident	69 Å²	69	53 Å²	53	32%	0.319	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110	175.8	-64.4	-96.4	0	0	0	110	N385 D386 L387 G388 T390	H383-N385 VanDerWaalsContact C-N 3.33Å; H383-N385 PolarHBondContact O-N 3.06Å; H383-D386 PolarHBondContact O-N 2.93Å; H383-L387 PolarHBondContact O-N 2.91Å; H383-G388 PolarHBondContact N-O 2.89Å; H383-T390 PolarHBondContact CD2-OG1 3.39Å; H383-T390 PolarHBondContact NE2-OG1 3.31Å
384	I	46.2	Very low	72.3	Confident	146 Å²	146	52.1 Å²	52.1	75%	0.749	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-38.6	-168.2	-64	173.2	0	0	0	112.8
385	N	42.8	Very low	72.4	Confident	98 Å²	98	54.6 Å²	54.6	52%	0.524	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-34.9	-177.5	-70.2	55.8	0	0	0	114.1	Y253 H383	Y253-N385 HydrophobicContact CE2-CB 4.01Å; Y253-N385 WeakPolarHBondContact CE2-ND2 3.4Å; Y253-N385 VanDerWaalsContact CE2-OD1 3.24Å; Y253-N385 WeakPolarHBondContact CE2-OD1 3.36Å; Y253-N385 VanDerWaalsContact CZ-CG 3.5Å; Y253-N385 PolarHBondContact OH-ND2 3Å; Y253-N385 PolarHBondContact OH-OD1 3.26Å; H383-N385 VanDerWaalsContact C-N 3.33Å; H383-N385 PolarHBondContact O-N 3.06Å
386	D	53.1	Low	72.4	Confident	100 Å²	100	60.4 Å²	60.4	54%	0.535	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-9.2	-173.7	-82.9	3	0	0	0	113	H383 G388 K412	H383-D386 PolarHBondContact O-N 2.93Å; D386-G388 PolarHBondContact O-N 2.03Å; D386-K412 HydrophobicContact CB-CD 4.43Å; D386-K412 IonicContact OD2-NZ 2.65Å; D386-K412 PolarHBondContact OD2-NZ 2.73Å
387	L	59.8	Low	72.8	Confident	114 Å²	114	57.2 Å²	57.2	60%	0.597	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	14.1	-163.4	-67.3	149.1	0	0	0	113.6	H383	H383-L387 PolarHBondContact O-N 2.91Å
388	G	66.3	Low	73.5	Confident	6 Å²	6	56.1 Å²	56.1	6%	0.062	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130	-173.6	0	0	0	0	0	112.4	H383 D386	H383-G388 PolarHBondContact N-O 2.89Å; D386-G388 PolarHBondContact O-N 2.03Å
389	L	79.3	Confident	73.7	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.1	176.4	-172.6	63.5	0	0	0	110.5	I372 C380 L382 V391 P408 N410 A411 K412 K413	I372-L389 HydrophobicContact CG2-CD1 3.73Å; I372-L389 HydrophobicContact CG2-CD2 4.36Å; C380-L389 HydrophobicContact CB-CD1 3.92Å; C380-L389 HydrophobicContact CB-CG 4.35Å; L382-L389 HydrophobicContact CB-CD1 4.25Å; L382-L389 HydrophobicContact CD1-CB 4.41Å; L382-L389 HydrophobicContact CD1-CD1 4.36Å; L389-V391 HydrophobicContact CD2-CG2 4.08Å; L389-V391 HydrophobicContact CG-CG2 3.93Å; L389-P408 HydrophobicContact CD2-CB 4.08Å; L389-N410 PolarHBondContact N-O 2.97Å; L389-N410 VanDerWaalsContact N-O 3.14Å; L389-A411 CarbonylContact O-C 3.52Å; L389-A411 WeakPolarHBondContact O-CA 3.47Å; L389-K412 PolarHBondContact O-N 3.06Å; L389-K413 PolarHBondContact O-N 3.05Å
390	T	82.3	Confident	74.1	Confident	19 Å²	19	58.2 Å²	58.2	12%	0.117	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.9	168	-68.7	0	0	0	0	108.4	C380 N381 H383 K413 Y415	C380-T390 CarbonylContact C-O 3.56Å; C380-T390 VanDerWaalsContact CA-O 3.25Å; C380-T390 WeakPolarHBondContact CA-O 3.3Å; N381-T390 PolarHBondContact N-O 2.81Å; N381-T390 PolarHBondContact O-N 3.27Å; H383-T390 PolarHBondContact CD2-OG1 3.39Å; H383-T390 PolarHBondContact NE2-OG1 3.31Å; T390-K413 HydrophobicContact CG2-CB 4.14Å; T390-Y415 HydrophobicContact CG2-CE2 4.15Å
391	V	85.6	Confident	74.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.8	-177.8	-179.6	0	0	0	0	108.9	P375 C378 C380 L389 P408 A411 K413 L414 Y415	P375-V391 HydrophobicContact CG-CG1 4.34Å; C378-V391 HydrophobicContact CB-CG1 4.37Å; C380-V391 HydrophobicContact CB-CG2 4.47Å; L389-V391 HydrophobicContact CD2-CG2 4.08Å; L389-V391 HydrophobicContact CG-CG2 3.93Å; V391-P408 HydrophobicContact CG2-CB 3.86Å; V391-P408 HydrophobicContact CG2-CG 4.08Å; V391-A411 HydrophobicContact CG2-CB 4.2Å; V391-K413 PolarHBondContact N-O 3.46Å; V391-L414 HydrophobicContact CB-CD1 3.84Å; V391-L414 HydrophobicContact CG1-CD1 3.72Å; V391-L414 WeakPolarHBondContact O-CA 3.15Å; V391-Y415 PolarHBondContact O-N 3.14Å
392	N	81.4	Confident	75	Confident	31 Å²	31	54.3 Å²	54.3	17%	0.166	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.7	174.5	-178.5	2.7	0	0	0	110.8	E275 C378 T379 K394	E275-N392 PolarHBondContact OE1-ND2 3.38Å; C378-N392 CarbonylContact C-O 3.6Å; C378-N392 WeakPolarHBondContact CA-O 3.49Å; C378-N392 VanDerWaalsContact CB-O 3.29Å; C378-N392 WeakPolarHBondContact CB-O 3.25Å; T379-N392 PolarHBondContact N-O 3.05Å; T379-N392 PolarHBondContact O-N 3.15Å; N392-K394 VanDerWaalsContact OD1-CB 3.23Å; N392-K394 WeakPolarHBondContact OD1-CB 3.33Å; N392-K394 PolarHBondContact OD1-N 2.87Å
393	C	85.8	Confident	75.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.			trans	-128.1	24.5	-177.8	-63.6	0	0	0	0	111.3	C378 R396 F398 L404 Y415 L416 N419	C378-C393 HydrophobicContact CB-CB 4.18Å; C378-C393 WeakPolarHBondContact CB-SG 3.01Å; C378-C393 WeakPolarHBondContact SG-CB 3.35Å; C378-C393 CovalentContact SG-SG 2.03Å; C378-C393 PolarHBondContact SG-SG 2.04Å; C393-R396 WeakPolarHBondContact O-CG 3.41Å; C393-F398 HydrophobicContact CB-CD2 4.32Å; C393-F398 HydrophobicContact CB-CE2 3.89Å; C393-L404 HydrophobicContact CB-CD2 4.33Å; C393-L404 VanDerWaalsContact SG-CD2 3.58Å; C393-Y415 CarbonylContact C-O 3.33Å; C393-Y415 WeakPolarHBondContact CA-O 3.47Å; C393-Y415 WeakPolarHBondContact CB-O 3.02Å; C393-Y415 PolarHBondContact N-O 3.25Å; C393-L416 HydrophobicContact CB-CD2 3.57Å; C393-L416 HydrophobicContact CB-CG 4.46Å; C393-N419 PolarHBondContact O-ND2 3.17Å
394	K	80.3	Confident	77	Confident	31 Å²	31	50.6 Å²	50.6	14%	0.135	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	143.2	177.6	-179.7	169.8	176.5	-83.9	0	112	G270 E275 N392 R396 S417	G270-K394 PolarHBondContact O-NZ 3.32Å; E275-K394 IonicContact OE2-NZ 3.18Å; E275-K394 PolarHBondContact OE2-NZ 2.98Å; N392-K394 VanDerWaalsContact OD1-CB 3.23Å; N392-K394 WeakPolarHBondContact OD1-CB 3.33Å; N392-K394 PolarHBondContact OD1-N 2.87Å; K394-R396 VanDerWaalsContact C-N 3.34Å; K394-R396 WeakPolarHBondContact O-CD 3.3Å; K394-R396 WeakPolarHBondContact O-CG 3.46Å; K394-R396 PolarHBondContact O-N 3.09Å; K394-R396 PolarHBondContact O-NE 3.19Å; K394-S417 WeakPolarHBondContact CA-O 3.3Å
395	E	81.9	Confident	78.6	Confident	93 Å²	93	48.6 Å²	48.6	44%	0.435	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	36.4	173.9	-71.4	165	-134.6	0	0	115.2	S417 S418	E395-S417 PolarHBondContact N-O 3.43Å; E395-S418 WeakPolarHBondContact CA-O 3.49Å
396	R	83.7	Confident	80.4	Confident	125 Å²	125	47 Å²	47	47%	0.472	25%	0.25	S	S	.	.	S	Bend	trans	-102.4	-9.1	-179.6	-55.7	-51.3	173.1	130.4	4.6	114.8	G377 C393 K394 F398 N419	G377-R396 VanDerWaalsContact O-CD 3.3Å; G377-R396 WeakPolarHBondContact O-CD 3.44Å; G377-R396 WeakPolarHBondContact O-CG 3.41Å; G377-R396 PolarHBondContact O-NE 3.18Å; G377-R396 VanDerWaalsContact O-NE 3.16Å; G377-R396 PolarHBondContact O-NH1 2.65Å; C393-R396 WeakPolarHBondContact O-CG 3.41Å; K394-R396 VanDerWaalsContact C-N 3.34Å; K394-R396 WeakPolarHBondContact O-CD 3.3Å; K394-R396 WeakPolarHBondContact O-CG 3.46Å; K394-R396 PolarHBondContact O-N 3.09Å; K394-R396 PolarHBondContact O-NE 3.19Å; R396-F398 HydrophobicContact CB-CD2 3.66Å; R396-F398 HydrophobicContact CB-CE2 3.45Å; R396-F398 VanDerWaalsContact CB-CE2 3.45Å; R396-F398 HydrophobicContact CB-CZ 4.18Å; R396-F398 HydrophobicContact CG-CD2 4.45Å; R396-F398 HydrophobicContact CG-CE2 3.91Å; R396-N419 WeakPolarHBondContact CA-OD1 3.25Å; R396-N419 PolarHBondContact N-OD1 2.95Å
397	G	84.8	Confident	81.6	Confident	32 Å²	32	46 Å²	46	33%	0.33	24%	0.239	S	C	.	.			trans	76.4	19.7	179.3	0	0	0	0	0	114.3	N399 N419	G397-N399 PolarHBondContact O-N 3.3Å; G397-N399 PolarHBondContact O-ND2 2.89Å; G397-N399 VanDerWaalsContact O-ND2 3.15Å; G397-N419 PolarHBondContact N-OD1 3.31Å
398	F	87.6	Confident	82.5	Confident	22 Å²	22	40.9 Å²	40.9	10%	0.096	21%	0.212	C	C	.	.			trans	-58.8	134.3	174.8	-68.7	-64.1	0	0	0	110.8	C393 R396 E403 L404 N419 L420 I421	C393-F398 HydrophobicContact CB-CD2 4.32Å; C393-F398 HydrophobicContact CB-CE2 3.89Å; R396-F398 HydrophobicContact CB-CD2 3.66Å; R396-F398 HydrophobicContact CB-CE2 3.45Å; R396-F398 VanDerWaalsContact CB-CE2 3.45Å; R396-F398 HydrophobicContact CB-CZ 4.18Å; R396-F398 HydrophobicContact CG-CD2 4.45Å; R396-F398 HydrophobicContact CG-CE2 3.91Å; F398-E403 WeakPolarHBondContact CA-OE2 3.3Å; F398-E403 HydrophobicContact CD1-CB 3.74Å; F398-E403 HydrophobicContact CE1-CB 4.24Å; F398-L404 HydrophobicContact CD2-CD2 4.24Å; F398-L404 HydrophobicContact CE1-CD2 4.3Å; F398-L404 HydrophobicContact CE2-CD2 3.85Å; F398-L404 HydrophobicContact CZ-CD2 3.88Å; F398-N419 HydrophobicContact CB-CB 4.44Å; F398-N419 PolarHBondContact N-OD1 3.16Å; F398-L420 CarbonylContact O-C 3.52Å; F398-L420 VanDerWaalsContact O-C 3.27Å; F398-L420 WeakPolarHBondContact O-CA 3.44Å; F398-L420 PolarHBondContact O-N 3.13Å; F398-I421 PolarHBondContact O-N 2.78Å
399	N	87.6	Confident	82.9	Confident	66 Å²	66	44.4 Å²	44.4	35%	0.353	23%	0.229	S	C	.	.	S	Bend	trans	-100.3	-22.6	-179.1	-55.7	-91.5	0	0	0	111.8	G397 E403 I421	G397-N399 PolarHBondContact O-N 3.3Å; G397-N399 PolarHBondContact O-ND2 2.89Å; G397-N399 VanDerWaalsContact O-ND2 3.15Å; N399-E403 WeakPolarHBondContact CB-OE1 3.39Å; N399-E403 PolarHBondContact N-OE2 2.59Å; N399-I421 WeakPolarHBondContact O-CA 3.43Å
400	N	87.8	Confident	82.8	Confident	62 Å²	62	47.9 Å²	47.9	33%	0.332	25%	0.248	S	C	.	.	S	Bend	trans	-143.6	143.9	177.8	-55.7	-91.5	0	0	0	109.9	S402 E403	N400-S402 PolarHBondContact O-N 2.98Å; N400-E403 HydrophobicContact CB-CG 4.39Å; N400-E403 WeakPolarHBondContact CB-OE1 3.45Å; N400-E403 PolarHBondContact N-OE1 2.82Å; N400-E403 PolarHBondContact ND2-OE1 3.08Å; N400-E403 VanDerWaalsContact O-CB 3.31Å; N400-E403 WeakPolarHBondContact O-CB 3.02Å; N400-E403 PolarHBondContact O-N 3.39Å
401	I	88.2	Confident	82.7	Confident	2 Å²	2	47 Å²	47	1%	0.01	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-62.9	-28.2	177.7	-59.5	148	0	0	0	111.2	E403 L404 L416 I421 I424 D428 F429	I401-E403 PolarHBondContact O-N 2.94Å; I401-L404 HydrophobicContact CG2-CD1 4Å; I401-L404 WeakPolarHBondContact O-CB 3.31Å; I401-L404 VanDerWaalsContact O-CG 3.26Å; I401-L404 WeakPolarHBondContact O-CG 3.33Å; I401-L404 PolarHBondContact O-N 2.97Å; I401-L404 VanDerWaalsContact O-N 3.17Å; I401-L416 HydrophobicContact CG1-CD1 4.39Å; I401-L416 HydrophobicContact CG2-CD1 4.47Å; I401-I421 HydrophobicContact CD1-CG2 4.4Å; I401-I421 HydrophobicContact CG1-CD1 4.04Å; I401-I421 HydrophobicContact CG1-CG2 4.22Å; I401-I424 HydrophobicContact CD1-CB 4.34Å; I401-I424 HydrophobicContact CD1-CD1 4.38Å; I401-I424 HydrophobicContact CD1-CG1 3.92Å; I401-I424 HydrophobicContact CD1-CG2 3.97Å; I401-D428 HydrophobicContact CB-CB 3.76Å; I401-D428 HydrophobicContact CD1-CB 3.93Å; I401-D428 HydrophobicContact CG1-CB 4.49Å; I401-D428 HydrophobicContact CG2-CB 3.82Å; I401-F429 HydrophobicContact CD1-CE1 4.39Å; I401-F429 HydrophobicContact CD1-CE2 3.81Å; I401-F429 HydrophobicContact CD1-CZ 3.53Å; I401-F429 HydrophobicContact CG1-CZ 4.29Å; I401-F429 HydrophobicContact CG2-CE1 4.02Å; I401-F429 HydrophobicContact CG2-CZ 4.26Å
402	S	85.2	Confident	82.7	Confident	46 Å²	46	49.4 Å²	49.4	32%	0.322	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-65.3	-9.5	174	-75.1	0	0	0	0	115.3	N400 L404 R407 D428	N400-S402 PolarHBondContact O-N 2.98Å; S402-L404 PolarHBondContact O-N 3.42Å; S402-R407 PolarHBondContact OG-NH2 3.01Å; S402-D428 WeakPolarHBondContact CB-OD1 3.03Å; S402-D428 PolarHBondContact N-OD1 2.96Å; S402-D428 VanDerWaalsContact N-OD1 3.17Å; S402-D428 PolarHBondContact OG-OD1 3.39Å
403	E	83.2	Confident	82.8	Confident	64 Å²	64	50.8 Å²	50.8	30%	0.299	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-75.1	-9.9	171.6	-68.7	156	-147.3	0	0	113.1	F398 N399 N400 I401 L405	F398-E403 WeakPolarHBondContact CA-OE2 3.3Å; F398-E403 HydrophobicContact CD1-CB 3.74Å; F398-E403 HydrophobicContact CE1-CB 4.24Å; N399-E403 WeakPolarHBondContact CB-OE1 3.39Å; N399-E403 PolarHBondContact N-OE2 2.59Å; N400-E403 HydrophobicContact CB-CG 4.39Å; N400-E403 WeakPolarHBondContact CB-OE1 3.45Å; N400-E403 PolarHBondContact N-OE1 2.82Å; N400-E403 PolarHBondContact ND2-OE1 3.08Å; N400-E403 VanDerWaalsContact O-CB 3.31Å; N400-E403 WeakPolarHBondContact O-CB 3.02Å; N400-E403 PolarHBondContact O-N 3.39Å; I401-E403 PolarHBondContact O-N 2.94Å; E403-L405 VanDerWaalsContact C-N 3.29Å; E403-L405 PolarHBondContact O-N 2.96Å
404	L	83.4	Confident	83	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.258	C	S	.	.			trans	-70.2	80.1	177.1	-64.2	175.1	0	0	0	112	P375 C393 F398 I401 S402 P406 R407 L416	P375-L404 HydrophobicContact CB-CB 4.29Å; P375-L404 HydrophobicContact CB-CD2 4.13Å; P375-L404 HydrophobicContact CG-CB 4.24Å; P375-L404 HydrophobicContact CG-CD2 4.25Å; C393-L404 HydrophobicContact CB-CD2 4.33Å; C393-L404 VanDerWaalsContact SG-CD2 3.58Å; F398-L404 HydrophobicContact CD2-CD2 4.24Å; F398-L404 HydrophobicContact CE1-CD2 4.3Å; F398-L404 HydrophobicContact CE2-CD2 3.85Å; F398-L404 HydrophobicContact CZ-CD2 3.88Å; I401-L404 HydrophobicContact CG2-CD1 4Å; I401-L404 WeakPolarHBondContact O-CB 3.31Å; I401-L404 VanDerWaalsContact O-CG 3.26Å; I401-L404 WeakPolarHBondContact O-CG 3.33Å; I401-L404 PolarHBondContact O-N 2.97Å; I401-L404 VanDerWaalsContact O-N 3.17Å; S402-L404 PolarHBondContact O-N 3.42Å; L404-P406 CarbonylContact O-C 3.44Å; L404-R407 WeakPolarHBondContact O-CA 3.45Å; L404-R407 WeakPolarHBondContact O-CG 3.42Å; L404-R407 PolarHBondContact O-N 3.11Å; L404-L416 HydrophobicContact CD1-CD1 4.18Å; L404-L416 HydrophobicContact CD1-CD2 3.94Å; L404-L416 HydrophobicContact CD2-CD2 4.03Å; L404-L416 HydrophobicContact CG-CD2 4.43Å
405	L	80.8	Confident	83.2	Confident	103 Å²	103	51.1 Å²	51.1	54%	0.539	26%	0.258	S	S	.	.	S	Bend	trans	-116.6	130	-179.3	-63.7	177.1	0	0	0	111.4	T376 E403	T376-L405 WeakPolarHBondContact CG2-O 3.49Å; T376-L405 PolarHBondContact N-O 3.41Å; T376-L405 PolarHBondContact OG1-O 2.89Å; E403-L405 VanDerWaalsContact C-N 3.29Å; E403-L405 PolarHBondContact O-N 2.96Å
406	P	79.8	Confident	83.5	Confident	65 Å²	65	46.7 Å²	46.7	42%	0.422	24%	0.237	S	C	.	.	S	Bend	cis	-71.6	146	-7.9	32.5	-37.5	0	0	0	112.5	I373 C374 P375 L404	I373-P406 HydrophobicContact CG2-CB 3.52Å; I373-P406 HydrophobicContact CG2-CG 3.51Å; C374-P406 WeakPolarHBondContact O-CD 3.37Å; C374-P406 WeakPolarHBondContact O-CG 3.26Å; P375-P406 WeakPolarHBondContact CA-O 3.13Å; L404-P406 CarbonylContact O-C 3.44Å
407	R	80	Confident	83.6	Confident	80 Å²	80	41.1 Å²	41.1	30%	0.302	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-66.2	133.2	-178.3	-73.5	-172.1	179.8	-149.5	1.6	111.2	I373 S402 L404 L409 S427 D428	I373-R407 VanDerWaalsContact CG2-O 3.26Å; I373-R407 WeakPolarHBondContact CG2-O 3.39Å; S402-R407 PolarHBondContact OG-NH2 3.01Å; L404-R407 WeakPolarHBondContact O-CA 3.45Å; L404-R407 WeakPolarHBondContact O-CG 3.42Å; L404-R407 PolarHBondContact O-N 3.11Å; R407-L409 PolarHBondContact O-N 2.93Å; R407-S427 PolarHBondContact NH1-O 3.05Å; R407-D428 PolarHBondContact NH1-O 3.2Å
408	P	78.4	Confident	83.7	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.032	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-78	122.4	-174.1	30.9	-31.3	0	0	0	111.1	I373 P375 L389 V391 A411 F432	I373-P408 WeakPolarHBondContact O-CA 3.31Å; I373-P408 WeakPolarHBondContact O-CB 3.2Å; P375-P408 HydrophobicContact CG-CG 4.21Å; L389-P408 HydrophobicContact CD2-CB 4.08Å; V391-P408 HydrophobicContact CG2-CB 3.86Å; V391-P408 HydrophobicContact CG2-CG 4.08Å; P408-A411 HydrophobicContact CB-CB 4.41Å; P408-A411 HydrophobicContact CG-CB 4.23Å; P408-F432 HydrophobicContact CG-CE1 3.79Å; P408-F432 HydrophobicContact CG-CZ 3.96Å
409	L	74.3	Confident	83.8	Confident	81 Å²	81	40.9 Å²	40.9	42%	0.424	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	141.9	172.6	-62.7	176.7	0	0	0	110.1	I373 R407 A411	I373-L409 HydrophobicContact CD1-CD1 3.79Å; I373-L409 HydrophobicContact CD1-CG 4.14Å; R407-L409 PolarHBondContact O-N 2.93Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 3.49Å
410	N	76.2	Confident	84	Confident	77 Å²	77	41.2 Å²	41.2	41%	0.412	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	33.5	177.6	-54.5	-16.1	0	0	0	114.8	L389 K412 S434	L389-N410 PolarHBondContact N-O 2.97Å; L389-N410 VanDerWaalsContact N-O 3.14Å; N410-K412 PolarHBondContact O-N 3Å; N410-S434 VanDerWaalsContact C-OG 3.24Å; N410-S434 WeakPolarHBondContact CA-OG 3.48Å
411	A	81.4	Confident	84.4	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	123.9	171.1	0	0	0	0	0	110.9	L389 V391 P408 L409 F432 S434 L435	L389-A411 CarbonylContact O-C 3.52Å; L389-A411 WeakPolarHBondContact O-CA 3.47Å; V391-A411 HydrophobicContact CG2-CB 4.2Å; P408-A411 HydrophobicContact CB-CB 4.41Å; P408-A411 HydrophobicContact CG-CB 4.23Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 3.49Å; A411-F432 HydrophobicContact CB-CD1 4.02Å; A411-F432 HydrophobicContact CB-CE1 3.99Å; A411-S434 PolarHBondContact N-OG 3.05Å; A411-S434 CarbonylContact O-C 3.48Å; A411-S434 PolarHBondContact O-OG 2.89Å; A411-L435 WeakPolarHBondContact O-CA 3.42Å; A411-L435 PolarHBondContact O-N 2.99Å
412	K	84.3	Confident	84.6	Confident	50 Å²	50	42.7 Å²	42.7	22%	0.217	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-27.6	177	-171.8	170.4	-176.6	-179.9	0	112.6	D386 L389 N410 S434 D436 L437	D386-K412 HydrophobicContact CB-CD 4.43Å; D386-K412 IonicContact OD2-NZ 2.65Å; D386-K412 PolarHBondContact OD2-NZ 2.73Å; L389-K412 PolarHBondContact O-N 3.06Å; N410-K412 PolarHBondContact O-N 3Å; K412-S434 WeakPolarHBondContact CA-O 3.32Å; K412-D436 VanDerWaalsContact CE-CG 3.44Å; K412-D436 WeakPolarHBondContact CE-OD2 3.27Å; K412-D436 HydrophobicContact CG-CB 4.05Å; K412-D436 IonicContact NZ-OD2 3.71Å; K412-D436 WeakPolarHBondContact O-CB 3.4Å; K412-D436 PolarHBondContact O-N 2.75Å; K412-L437 PolarHBondContact O-N 2.97Å
413	K	84.8	Confident	85	Confident	60 Å²	60	44.5 Å²	44.5	26%	0.261	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.1	169.5	-58.4	-172.6	178	-176.2	0	109.2	L389 T390 V391 Y415 L437	L389-K413 PolarHBondContact O-N 3.05Å; T390-K413 HydrophobicContact CG2-CB 4.14Å; V391-K413 PolarHBondContact N-O 3.46Å; K413-Y415 HydrophobicContact CB-CE2 3.88Å; K413-Y415 HydrophobicContact CD-CE2 4.34Å; K413-L437 WeakPolarHBondContact CA-O 3.46Å; K413-L437 HydrophobicContact CG-CB 4.24Å
414	L	88.5	Confident	85.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	113.2	-179.4	179.5	58.7	0	0	0	110.2	V391 L416 F429 F432 L435 L437 L438 H439	V391-L414 HydrophobicContact CB-CD1 3.84Å; V391-L414 HydrophobicContact CG1-CD1 3.72Å; V391-L414 WeakPolarHBondContact O-CA 3.15Å; L414-L416 HydrophobicContact CD1-CD1 4.27Å; L414-L416 HydrophobicContact CD1-CG 4.16Å; L414-L416 HydrophobicContact CD2-CD1 3.83Å; L414-L416 HydrophobicContact CG-CD1 3.86Å; L414-L416 HydrophobicContact CG-CG 4.09Å; L414-F429 HydrophobicContact CD2-CE1 4.25Å; L414-F432 HydrophobicContact CD2-CD1 4.33Å; L414-F432 HydrophobicContact CD2-CE1 3.75Å; L414-F432 HydrophobicContact CD2-CZ 4.17Å; L414-L435 HydrophobicContact CB-CD1 4.02Å; L414-L435 HydrophobicContact CB-CD2 4.06Å; L414-L435 HydrophobicContact CB-CG 4.46Å; L414-L435 HydrophobicContact CD2-CD1 4.16Å; L414-L437 PolarHBondContact N-O 3.05Å; L414-L438 HydrophobicContact CB-CD1 4.16Å; L414-L438 HydrophobicContact CD2-CD1 3.98Å; L414-L438 HydrophobicContact CG-CD1 4.11Å; L414-H439 PolarHBondContact O-N 3.02Å
415	Y	85.1	Confident	86	Confident	37 Å²	37	45.5 Å²	45.5	15%	0.145	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.5	178.5	-60.6	-101.5	0	0	0	109.8	T390 V391 C393 K413 L437 H439	T390-Y415 HydrophobicContact CG2-CE2 4.15Å; V391-Y415 PolarHBondContact O-N 3.14Å; C393-Y415 CarbonylContact C-O 3.33Å; C393-Y415 WeakPolarHBondContact CA-O 3.47Å; C393-Y415 WeakPolarHBondContact CB-O 3.02Å; C393-Y415 PolarHBondContact N-O 3.25Å; K413-Y415 HydrophobicContact CB-CE2 3.88Å; K413-Y415 HydrophobicContact CD-CE2 4.34Å; Y415-L437 HydrophobicContact CD1-CD2 4.48Å; Y415-L437 HydrophobicContact CE1-CD2 3.96Å; Y415-L437 HydrophobicContact CE2-CD2 4.3Å; Y415-H439 HydrophobicContact CD1-CB 3.88Å; Y415-H439 HydrophobicContact CG-CB 4.46Å
416	L	88.4	Confident	86.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.			trans	-126.7	20.9	-178.8	-73.5	164.2	0	0	0	111.4	C393 I401 L404 L414 N419 I421 H439 L440 N443	C393-L416 HydrophobicContact CB-CD2 3.57Å; C393-L416 HydrophobicContact CB-CG 4.46Å; I401-L416 HydrophobicContact CG1-CD1 4.39Å; I401-L416 HydrophobicContact CG2-CD1 4.47Å; L404-L416 HydrophobicContact CD1-CD1 4.18Å; L404-L416 HydrophobicContact CD1-CD2 3.94Å; L404-L416 HydrophobicContact CD2-CD2 4.03Å; L404-L416 HydrophobicContact CG-CD2 4.43Å; L414-L416 HydrophobicContact CD1-CD1 4.27Å; L414-L416 HydrophobicContact CD1-CG 4.16Å; L414-L416 HydrophobicContact CD2-CD1 3.83Å; L414-L416 HydrophobicContact CG-CD1 3.86Å; L414-L416 HydrophobicContact CG-CG 4.09Å; L416-N419 VanDerWaalsContact C-ND2 3.32Å; L416-N419 PolarHBondContact O-ND2 2.83Å; L416-I421 HydrophobicContact CB-CD1 4.12Å; L416-I421 HydrophobicContact CD2-CD1 4.5Å; L416-H439 CarbonylContact C-O 3.27Å; L416-H439 WeakPolarHBondContact CA-O 3.11Å; L416-H439 PolarHBondContact N-O 3.26Å; L416-L440 HydrophobicContact CB-CD2 3.89Å; L416-L440 HydrophobicContact CD1-CD2 3.89Å; L416-N443 PolarHBondContact O-ND2 3.49Å
417	S	86.3	Confident	86.8	Confident	9 Å²	9	46 Å²	46	6%	0.063	22%	0.22	C	C	.	.			trans	-61.7	155.5	-179.6	5.5	0	0	0	0	113.5	K394 E395 N419 H439 G441	K394-S417 WeakPolarHBondContact CA-O 3.3Å; E395-S417 PolarHBondContact N-O 3.43Å; S417-N419 VanDerWaalsContact C-N 3.28Å; S417-N419 PolarHBondContact O-N 3.39Å; S417-N419 PolarHBondContact O-ND2 2.8Å; S417-H439 WeakPolarHBondContact CB-ND1 3.46Å; S417-H439 PolarHBondContact OG-ND1 3.39Å; S417-G441 WeakPolarHBondContact CA-O 3.42Å; S417-G441 WeakPolarHBondContact CB-O 3.44Å
418	S	86.5	Confident	87.2	Confident	42 Å²	42	42.2 Å²	42.2	29%	0.294	21%	0.206	S	C	.	.	S	Bend	trans	56.9	40.8	172.4	-56.5	0	0	0	0	113	E395 G441 N442	E395-S418 WeakPolarHBondContact CA-O 3.49Å; S418-G441 PolarHBondContact N-O 3.36Å; S418-N442 WeakPolarHBondContact CA-O 3.49Å; S418-N442 PolarHBondContact N-O 3.31Å
419	N	90.3	Very high	87.8	Confident	7 Å²	7	42 Å²	42	4%	0.037	20%	0.204	C	C	.	.	S	Bend	trans	-113.7	-169.5	174.7	-76.9	-67	0	0	0	110.1	C393 R396 G397 F398 L416 S417 I421 N443	C393-N419 PolarHBondContact O-ND2 3.17Å; R396-N419 WeakPolarHBondContact CA-OD1 3.25Å; R396-N419 PolarHBondContact N-OD1 2.95Å; G397-N419 PolarHBondContact N-OD1 3.31Å; F398-N419 HydrophobicContact CB-CB 4.44Å; F398-N419 PolarHBondContact N-OD1 3.16Å; L416-N419 VanDerWaalsContact C-ND2 3.32Å; L416-N419 PolarHBondContact O-ND2 2.83Å; S417-N419 VanDerWaalsContact C-N 3.28Å; S417-N419 PolarHBondContact O-N 3.39Å; S417-N419 PolarHBondContact O-ND2 2.8Å; N419-I421 HydrophobicContact CB-CD1 4.37Å; N419-I421 HydrophobicContact CB-CG1 4.2Å; N419-N443 WeakPolarHBondContact CA-OD1 3.32Å; N419-N443 WeakPolarHBondContact CB-OD1 3.39Å; N419-N443 PolarHBondContact N-OD1 3.48Å; N419-N443 PolarHBondContact O-OD1 2.92Å
420	L	92.1	Very high	88.2	Confident	72 Å²	72	45.2 Å²	45.2	38%	0.377	21%	0.211	S	C	.	.			trans	-110.9	24.1	-176.9	-60.8	176.1	0	0	0	111.9	F398 Q422	F398-L420 CarbonylContact O-C 3.52Å; F398-L420 VanDerWaalsContact O-C 3.27Å; F398-L420 WeakPolarHBondContact O-CA 3.44Å; F398-L420 PolarHBondContact O-N 3.13Å; L420-Q422 PolarHBondContact O-N 3.11Å
421	I	94.4	Very high	88.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.			trans	-66.5	122.5	-174.8	-56.7	168	0	0	0	109.3	F398 N399 I401 L416 N419 L440 N443 R444 I445	F398-I421 PolarHBondContact O-N 2.78Å; N399-I421 WeakPolarHBondContact O-CA 3.43Å; I401-I421 HydrophobicContact CD1-CG2 4.4Å; I401-I421 HydrophobicContact CG1-CD1 4.04Å; I401-I421 HydrophobicContact CG1-CG2 4.22Å; L416-I421 HydrophobicContact CB-CD1 4.12Å; L416-I421 HydrophobicContact CD2-CD1 4.5Å; N419-I421 HydrophobicContact CB-CD1 4.37Å; N419-I421 HydrophobicContact CB-CG1 4.2Å; I421-L440 HydrophobicContact CD1-CD2 4.08Å; I421-N443 HydrophobicContact CB-CB 4.35Å; I421-N443 VanDerWaalsContact CB-OD1 3.32Å; I421-N443 WeakPolarHBondContact CB-OD1 3.46Å; I421-N443 WeakPolarHBondContact CG1-OD1 3.39Å; I421-N443 PolarHBondContact N-OD1 3.06Å; I421-R444 CarbonylContact O-C 3.07Å; I421-R444 WeakPolarHBondContact O-CA 3.34Å; I421-R444 PolarHBondContact O-N 2.89Å; I421-I445 HydrophobicContact CB-CG1 4.37Å; I421-I445 HydrophobicContact CG2-CG1 4.14Å; I421-I445 WeakPolarHBondContact O-CG1 3.39Å; I421-I445 PolarHBondContact O-N 2.81Å; I421-I445 VanDerWaalsContact O-N 3.15Å
422	Q	93.5	Very high	88.5	Confident	95 Å²	95	47 Å²	47	44%	0.444	22%	0.22	S	C	.	.			trans	-103.9	-29.2	-176.6	-72.3	170.4	41.7	0	0	114.2	L420 R444 I445 S446	L420-Q422 PolarHBondContact O-N 3.11Å; Q422-R444 WeakPolarHBondContact CA-O 3.45Å; Q422-R444 HydrophobicContact CG-CB 4Å; Q422-I445 WeakPolarHBondContact O-CA 3.38Å; Q422-S446 PolarHBondContact O-N 2.93Å
423	K	93.2	Very high	88.5	Confident	85 Å²	85	47.8 Å²	47.8	37%	0.37	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.2	-171.3	-58.8	-175	-178.3	173.9	0	110.3	Y425 Y447	K423-Y425 HydrophobicContact CB-CD2 4.48Å; K423-Y425 HydrophobicContact CB-CE2 3.77Å; K423-Y425 WeakPolarHBondContact CD-OH 3.29Å; K423-Y447 WeakPolarHBondContact CA-O 3.3Å
424	I	94.6	Very high	88.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.1	174.2	-53.9	-174.2	0	0	0	109.4	I401 F429 L440 I445 Y447 V448 Q449 A452 F453 L464	I401-I424 HydrophobicContact CD1-CB 4.34Å; I401-I424 HydrophobicContact CD1-CD1 4.38Å; I401-I424 HydrophobicContact CD1-CG1 3.92Å; I401-I424 HydrophobicContact CD1-CG2 3.97Å; I424-F429 HydrophobicContact CG2-CD2 4.16Å; I424-F429 HydrophobicContact CG2-CE2 3.63Å; I424-L440 HydrophobicContact CD1-CD1 3.77Å; I424-I445 HydrophobicContact CD1-CD1 4.06Å; I424-I445 HydrophobicContact CD1-CG2 4.22Å; I424-I445 HydrophobicContact CG1-CG2 4.15Å; I424-Y447 PolarHBondContact N-O 3.08Å; I424-V448 HydrophobicContact CB-CG1 4.26Å; I424-V448 HydrophobicContact CB-CG2 4.38Å; I424-V448 HydrophobicContact CD1-CG2 4.13Å; I424-V448 HydrophobicContact CG1-CG2 4.36Å; I424-Q449 WeakPolarHBondContact O-CB 3.38Å; I424-Q449 PolarHBondContact O-N 3.2Å; I424-A452 HydrophobicContact CG2-CB 3.78Å; I424-F453 HydrophobicContact CD1-CE1 4.43Å; I424-F453 HydrophobicContact CD1-CZ 4.23Å; I424-L464 HydrophobicContact CD1-CD2 4.47Å
425	Y	92.9	Very high	88.6	Confident	87 Å²	87	46.6 Å²	46.6	34%	0.341	23%	0.231	S	C	.	.			trans	-108.6	156.2	179	-61.7	-81.4	0	0	0	112.1	K423 S427 D428	K423-Y425 HydrophobicContact CB-CD2 4.48Å; K423-Y425 HydrophobicContact CB-CE2 3.77Å; K423-Y425 WeakPolarHBondContact CD-OH 3.29Å; Y425-S427 PolarHBondContact O-N 2.87Å; Y425-S427 VanDerWaalsContact O-N 3.09Å; Y425-D428 WeakPolarHBondContact CB-OD2 3.43Å; Y425-D428 PolarHBondContact N-OD2 2.83Å; Y425-D428 WeakPolarHBondContact O-CB 3.42Å; Y425-D428 PolarHBondContact O-N 3.25Å
426	R	90.1	Very high	88.7	Confident	110 Å²	110	46.3 Å²	46.3	42%	0.415	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.6	178.6	-174	170.7	179.5	135.9	-6.6	114.8	D450 I454	R426-D450 PolarHBondContact NH1-O 3.23Å; R426-I454 HydrophobicContact CG-CG2 4.46Å
427	S	88.1	Confident	88.7	Confident	68 Å²	68	47.5 Å²	47.5	48%	0.476	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.3	175.3	46.7	0	0	0	0	114.3	R407 Y425	R407-S427 PolarHBondContact NH1-O 3.05Å; Y425-S427 PolarHBondContact O-N 2.87Å; Y425-S427 VanDerWaalsContact O-N 3.09Å
428	D	88.8	Confident	88.9	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-49.6	-174.7	-73.3	-42.5	0	0	0	111.3	I401 S402 R407 Y425 W430	I401-D428 HydrophobicContact CB-CB 3.76Å; I401-D428 HydrophobicContact CD1-CB 3.93Å; I401-D428 HydrophobicContact CG1-CB 4.49Å; I401-D428 HydrophobicContact CG2-CB 3.82Å; S402-D428 WeakPolarHBondContact CB-OD1 3.03Å; S402-D428 PolarHBondContact N-OD1 2.96Å; S402-D428 VanDerWaalsContact N-OD1 3.17Å; S402-D428 PolarHBondContact OG-OD1 3.39Å; R407-D428 PolarHBondContact NH1-O 3.2Å; Y425-D428 WeakPolarHBondContact CB-OD2 3.43Å; Y425-D428 PolarHBondContact N-OD2 2.83Å; Y425-D428 WeakPolarHBondContact O-CB 3.42Å; Y425-D428 PolarHBondContact O-N 3.25Å; D428-W430 VanDerWaalsContact C-N 3.27Å; D428-W430 PolarHBondContact O-N 3.17Å
429	F	89.4	Confident	88.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	26.4	178.6	-60.1	-61.5	0	0	0	114.3	I401 L414 I424 F432 L438 L440 F453 N455 L456	I401-F429 HydrophobicContact CD1-CE1 4.39Å; I401-F429 HydrophobicContact CD1-CE2 3.81Å; I401-F429 HydrophobicContact CD1-CZ 3.53Å; I401-F429 HydrophobicContact CG1-CZ 4.29Å; I401-F429 HydrophobicContact CG2-CE1 4.02Å; I401-F429 HydrophobicContact CG2-CZ 4.26Å; L414-F429 HydrophobicContact CD2-CE1 4.25Å; I424-F429 HydrophobicContact CG2-CD2 4.16Å; I424-F429 HydrophobicContact CG2-CE2 3.63Å; F429-F432 HydrophobicContact CD1-CD2 4.34Å; F429-F432 PolarHBondContact O-N 3Å; F429-L438 HydrophobicContact CD1-CD2 4.32Å; F429-L438 HydrophobicContact CE1-CD1 3.84Å; F429-L438 HydrophobicContact CE1-CD2 3.76Å; F429-L438 HydrophobicContact CE1-CG 4.49Å; F429-L438 HydrophobicContact CE2-CD2 4.01Å; F429-L438 HydrophobicContact CZ-CD1 4.06Å; F429-L438 HydrophobicContact CZ-CD2 3.6Å; F429-L438 HydrophobicContact CZ-CG 4.44Å; F429-L440 HydrophobicContact CZ-CD1 4.08Å; F429-F453 AromaticContact CD2-CD1 3.86Å; F429-F453 HydrophobicContact CD2-CD1 3.86Å; F429-F453 HydrophobicContact CD2-CE1 4.02Å; F429-F453 HydrophobicContact CE2-CD1 4.01Å; F429-F453 AromaticContact CE2-CE1 3.69Å; F429-F453 HydrophobicContact CE2-CE1 3.69Å; F429-N455 WeakPolarHBondContact O-CB 3.32Å; F429-L456 HydrophobicContact CB-CD1 4.17Å; F429-L456 HydrophobicContact CB-CD2 4.07Å; F429-L456 HydrophobicContact CB-CG 4.14Å; F429-L456 HydrophobicContact CD1-CD1 4.45Å; F429-L456 HydrophobicContact CD2-CD1 4.37Å; F429-L456 HydrophobicContact CG-CD1 4.06Å
430	W	82.4	Confident	89	Confident	148 Å²	148	45.9 Å²	45.9	56%	0.561	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	137	172	-168.2	-86.1	0	0	0	111.7	D428 F432	D428-W430 VanDerWaalsContact C-N 3.27Å; D428-W430 PolarHBondContact O-N 3.17Å; W430-F432 WeakPolarHBondContact O-CD2 3.5Å; W430-F432 PolarHBondContact O-N 3.1Å
431	N	78.3	Confident	88.7	Confident	109 Å²	109	42.5 Å²	42.5	58%	0.583	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	12.5	-173.1	-70.2	-6.2	0	0	0	116.9	S433	N431-S433 VanDerWaalsContact C-N 3.31Å; N431-S433 PolarHBondContact O-N 3.35Å
432	F	85.9	Confident	88.4	Confident	6 Å²	6	47 Å²	47	3%	0.026	23%	0.231	C	C	.	.			trans	-89.8	32.6	177.3	-80.2	-86.1	0	0	0	114	P408 A411 L414 F429 W430 S434 L435 L456	P408-F432 HydrophobicContact CG-CE1 3.79Å; P408-F432 HydrophobicContact CG-CZ 3.96Å; A411-F432 HydrophobicContact CB-CD1 4.02Å; A411-F432 HydrophobicContact CB-CE1 3.99Å; L414-F432 HydrophobicContact CD2-CD1 4.33Å; L414-F432 HydrophobicContact CD2-CE1 3.75Å; L414-F432 HydrophobicContact CD2-CZ 4.17Å; F429-F432 HydrophobicContact CD1-CD2 4.34Å; F429-F432 PolarHBondContact O-N 3Å; W430-F432 WeakPolarHBondContact O-CD2 3.5Å; W430-F432 PolarHBondContact O-N 3.1Å; F432-S434 PolarHBondContact O-N 3.18Å; F432-S434 VanDerWaalsContact O-N 3.1Å; F432-L435 HydrophobicContact CB-CD1 4.16Å; F432-L435 HydrophobicContact CD1-CD1 3.81Å; F432-L435 HydrophobicContact CG-CD1 4.32Å; F432-L435 WeakPolarHBondContact O-CB 3.22Å; F432-L435 PolarHBondContact O-N 2.83Å; F432-L456 HydrophobicContact CB-CD2 3.6Å; F432-L456 WeakPolarHBondContact O-CD2 3.46Å
433	S	85.8	Confident	88.3	Confident	68 Å²	68	43.1 Å²	43.1	48%	0.476	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.4	-170	55.2	0	0	0	0	116	N431 N455 N458	N431-S433 VanDerWaalsContact C-N 3.31Å; N431-S433 PolarHBondContact O-N 3.35Å; S433-N455 WeakPolarHBondContact CA-O 3.41Å; S433-N458 PolarHBondContact O-ND2 3.07Å
434	S	85.9	Confident	88.3	Confident	35 Å²	35	45.7 Å²	45.7	25%	0.245	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.4	178.6	52.1	0	0	0	0	115.1	N410 A411 K412 F432 D436	N410-S434 VanDerWaalsContact C-OG 3.24Å; N410-S434 WeakPolarHBondContact CA-OG 3.48Å; A411-S434 PolarHBondContact N-OG 3.05Å; A411-S434 CarbonylContact O-C 3.48Å; A411-S434 PolarHBondContact O-OG 2.89Å; K412-S434 WeakPolarHBondContact CA-O 3.32Å; F432-S434 PolarHBondContact O-N 3.18Å; F432-S434 VanDerWaalsContact O-N 3.1Å; S434-D436 PolarHBondContact O-N 3.08Å
435	L	89.4	Confident	88.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.			trans	-73.1	122.3	-170.9	-121.8	172.4	0	0	0	112.2	A411 L414 F432 L437 L438 L456 N458 L459	A411-L435 WeakPolarHBondContact O-CA 3.42Å; A411-L435 PolarHBondContact O-N 2.99Å; L414-L435 HydrophobicContact CB-CD1 4.02Å; L414-L435 HydrophobicContact CB-CD2 4.06Å; L414-L435 HydrophobicContact CB-CG 4.46Å; L414-L435 HydrophobicContact CD2-CD1 4.16Å; F432-L435 HydrophobicContact CB-CD1 4.16Å; F432-L435 HydrophobicContact CD1-CD1 3.81Å; F432-L435 HydrophobicContact CG-CD1 4.32Å; F432-L435 WeakPolarHBondContact O-CB 3.22Å; F432-L435 PolarHBondContact O-N 2.83Å; L435-L437 VanDerWaalsContact CD2-C 3.42Å; L435-L437 WeakPolarHBondContact CD2-O 3.5Å; L435-L438 HydrophobicContact CD2-CB 4.36Å; L435-L456 HydrophobicContact CB-CD2 4.09Å; L435-L456 HydrophobicContact CD1-CD2 4.17Å; L435-N458 CarbonylContact O-C 3.49Å; L435-L459 HydrophobicContact CB-CD1 4.05Å; L435-L459 HydrophobicContact CD2-CD1 4.05Å; L435-L459 WeakPolarHBondContact O-CA 3.41Å; L435-L459 PolarHBondContact O-N 3.38Å
436	D	85.4	Confident	88.4	Confident	30 Å²	30	44.6 Å²	44.6	16%	0.16	23%	0.226	C	C	.	.	S	Bend	trans	-93.8	-36.4	172.4	-90.1	8.9	0	0	0	111.9	K412 S434 K460 S461	K412-D436 VanDerWaalsContact CE-CG 3.44Å; K412-D436 WeakPolarHBondContact CE-OD2 3.27Å; K412-D436 HydrophobicContact CG-CB 4.05Å; K412-D436 IonicContact NZ-OD2 3.71Å; K412-D436 WeakPolarHBondContact O-CB 3.4Å; K412-D436 PolarHBondContact O-N 2.75Å; S434-D436 PolarHBondContact O-N 3.08Å; D436-K460 HydrophobicContact CB-CD 4.31Å; D436-K460 PolarHBondContact O-N 3.32Å; D436-K460 IonicContact OD1-NZ 2.65Å; D436-K460 PolarHBondContact OD1-NZ 3.37Å; D436-K460 IonicContact OD2-NZ 3.36Å; D436-K460 PolarHBondContact OD2-NZ 2.9Å; D436-S461 PolarHBondContact O-N 2.76Å
437	L	88.8	Confident	88.6	Confident	26 Å²	26	44.8 Å²	44.8	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	121	-174.8	-178.3	156.5	0	0	0	112.2	K412 K413 L414 Y415 L435 H439 S461 F463	K412-L437 PolarHBondContact O-N 2.97Å; K413-L437 WeakPolarHBondContact CA-O 3.46Å; K413-L437 HydrophobicContact CG-CB 4.24Å; L414-L437 PolarHBondContact N-O 3.05Å; Y415-L437 HydrophobicContact CD1-CD2 4.48Å; Y415-L437 HydrophobicContact CE1-CD2 3.96Å; Y415-L437 HydrophobicContact CE2-CD2 4.3Å; L435-L437 VanDerWaalsContact CD2-C 3.42Å; L435-L437 WeakPolarHBondContact CD2-O 3.5Å; L437-H439 HydrophobicContact CD2-CB 4.25Å; L437-S461 WeakPolarHBondContact CA-O 3.01Å; L437-F463 HydrophobicContact CD1-CE2 4.07Å; L437-F463 HydrophobicContact CD2-CE2 4.3Å; L437-F463 HydrophobicContact CG-CE2 4.03Å
438	L	91.9	Very high	88.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.7	178.6	174.8	58	0	0	0	109.7	L414 F429 L435 L440 F453 L456 L459 S461 L462 F463	L414-L438 HydrophobicContact CB-CD1 4.16Å; L414-L438 HydrophobicContact CD2-CD1 3.98Å; L414-L438 HydrophobicContact CG-CD1 4.11Å; F429-L438 HydrophobicContact CD1-CD2 4.32Å; F429-L438 HydrophobicContact CE1-CD1 3.84Å; F429-L438 HydrophobicContact CE1-CD2 3.76Å; F429-L438 HydrophobicContact CE1-CG 4.49Å; F429-L438 HydrophobicContact CE2-CD2 4.01Å; F429-L438 HydrophobicContact CZ-CD1 4.06Å; F429-L438 HydrophobicContact CZ-CD2 3.6Å; F429-L438 HydrophobicContact CZ-CG 4.44Å; L435-L438 HydrophobicContact CD2-CB 4.36Å; L438-L440 HydrophobicContact CD1-CD1 4.15Å; L438-L440 HydrophobicContact CD1-CG 4.06Å; L438-L440 HydrophobicContact CD2-CD1 3.88Å; L438-L440 HydrophobicContact CG-CD1 3.85Å; L438-L440 HydrophobicContact CG-CG 4.13Å; L438-F453 HydrophobicContact CD2-CD1 4.39Å; L438-F453 HydrophobicContact CD2-CE1 4.16Å; L438-L456 HydrophobicContact CD2-CD1 3.87Å; L438-L459 HydrophobicContact CB-CD1 3.75Å; L438-L459 HydrophobicContact CB-CD2 4.15Å; L438-S461 PolarHBondContact N-O 2.96Å; L438-L462 HydrophobicContact CB-CD1 4.17Å; L438-L462 HydrophobicContact CD2-CD1 3.96Å; L438-L462 HydrophobicContact CG-CD1 3.99Å; L438-L462 WeakPolarHBondContact O-CA 3.4Å; L438-F463 PolarHBondContact O-N 2.89Å
439	H	86.2	Confident	89.1	Confident	24 Å²	24	45.5 Å²	45.5	11%	0.111	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	110.5	180	-167.8	-57.2	0	0	0	111.3	L414 Y415 L416 S417 L437 G441 F463	L414-H439 PolarHBondContact O-N 3.02Å; Y415-H439 HydrophobicContact CD1-CB 3.88Å; Y415-H439 HydrophobicContact CG-CB 4.46Å; L416-H439 CarbonylContact C-O 3.27Å; L416-H439 WeakPolarHBondContact CA-O 3.11Å; L416-H439 PolarHBondContact N-O 3.26Å; S417-H439 WeakPolarHBondContact CB-ND1 3.46Å; S417-H439 PolarHBondContact OG-ND1 3.39Å; L437-H439 HydrophobicContact CD2-CB 4.25Å; H439-G441 PolarHBondContact ND1-N 3.07Å; H439-F463 HydrophobicContact CB-CB 4.39Å; H439-F463 HydrophobicContact CB-CD2 4.09Å; H439-F463 AromaticContact CD2-CD1 3.89Å; H439-F463 AromaticContact CD2-CD2 3.6Å; H439-F463 AromaticContact CD2-CG 3.44Å; H439-F463 VanDerWaalsContact CD2-CG 3.44Å; H439-F463 WeakPolarHBondContact CD2-CG 3.25Å; H439-F463 AromaticContact NE2-CG 3.87Å
440	L	91.6	Very high	89.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.			trans	-118.6	7.6	-179.4	-72.4	160	0	0	0	112.6	L416 I421 I424 F429 L438 N443 I445 L462 F463 L464 N467	L416-L440 HydrophobicContact CB-CD2 3.89Å; L416-L440 HydrophobicContact CD1-CD2 3.89Å; I421-L440 HydrophobicContact CD1-CD2 4.08Å; I424-L440 HydrophobicContact CD1-CD1 3.77Å; F429-L440 HydrophobicContact CZ-CD1 4.08Å; L438-L440 HydrophobicContact CD1-CD1 4.15Å; L438-L440 HydrophobicContact CD1-CG 4.06Å; L438-L440 HydrophobicContact CD2-CD1 3.88Å; L438-L440 HydrophobicContact CG-CD1 3.85Å; L438-L440 HydrophobicContact CG-CG 4.13Å; L440-N443 PolarHBondContact O-ND2 2.9Å; L440-I445 HydrophobicContact CB-CD1 3.93Å; L440-I445 HydrophobicContact CD2-CD1 4.41Å; L440-L462 HydrophobicContact CD1-CD1 4.4Å; L440-F463 CarbonylContact C-O 3.48Å; L440-F463 WeakPolarHBondContact CA-O 2.98Å; L440-F463 WeakPolarHBondContact CB-O 3.43Å; L440-F463 PolarHBondContact N-O 3.35Å; L440-L464 HydrophobicContact CB-CD2 3.83Å; L440-L464 HydrophobicContact CD1-CD2 3.96Å; L440-N467 PolarHBondContact O-ND2 2.87Å
441	G	86.9	Confident	89.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.			trans	-63.6	156.8	-178.6	0	0	0	0	0	114.7	S417 S418 H439 N443 F463 N465	S417-G441 WeakPolarHBondContact CA-O 3.42Å; S417-G441 WeakPolarHBondContact CB-O 3.44Å; S418-G441 PolarHBondContact N-O 3.36Å; H439-G441 PolarHBondContact ND1-N 3.07Å; G441-N443 PolarHBondContact O-ND2 3.08Å; G441-F463 PolarHBondContact N-O 3.16Å; G441-N465 CarbonylContact C-O 3.56Å; G441-N465 WeakPolarHBondContact CA-O 3.41Å; G441-N465 WeakPolarHBondContact CA-OD1 3.33Å
442	N	86.3	Confident	90.4	Very high	95 Å²	95	37.6 Å²	37.6	51%	0.508	19%	0.194	S	C	.	.	S	Bend	trans	55.6	56.2	-173.7	-61.2	-14.7	0	0	0	112.3	S418 N465 G466	S418-N442 WeakPolarHBondContact CA-O 3.49Å; S418-N442 PolarHBondContact N-O 3.31Å; N442-N465 PolarHBondContact N-O 3.23Å; N442-G466 CarbonylContact C-O 3.34Å; N442-G466 WeakPolarHBondContact CA-O 3.3Å; N442-G466 PolarHBondContact N-O 3.06Å
443	N	91.5	Very high	90.8	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.07	19%	0.192	C	C	.	.	S	Bend	trans	-123	-156.7	173	-88.3	-87.8	0	0	0	109.1	L416 N419 I421 L440 G441 I445 G466 N467	L416-N443 PolarHBondContact O-ND2 3.49Å; N419-N443 WeakPolarHBondContact CA-OD1 3.32Å; N419-N443 WeakPolarHBondContact CB-OD1 3.39Å; N419-N443 PolarHBondContact N-OD1 3.48Å; N419-N443 PolarHBondContact O-OD1 2.92Å; I421-N443 HydrophobicContact CB-CB 4.35Å; I421-N443 VanDerWaalsContact CB-OD1 3.32Å; I421-N443 WeakPolarHBondContact CB-OD1 3.46Å; I421-N443 WeakPolarHBondContact CG1-OD1 3.39Å; I421-N443 PolarHBondContact N-OD1 3.06Å; L440-N443 PolarHBondContact O-ND2 2.9Å; G441-N443 PolarHBondContact O-ND2 3.08Å; N443-I445 HydrophobicContact CB-CD1 3.98Å; N443-I445 HydrophobicContact CB-CG1 3.97Å; N443-G466 PolarHBondContact N-O 2.94Å; N443-G466 VanDerWaalsContact N-O 3.12Å; N443-N467 VanDerWaalsContact CA-OD1 3.3Å; N443-N467 WeakPolarHBondContact CA-OD1 3.37Å; N443-N467 WeakPolarHBondContact CB-OD1 3.47Å; N443-N467 PolarHBondContact N-OD1 3.44Å
444	R	93.6	Very high	91	Very high	139 Å²	139	36.4 Å²	36.4	53%	0.525	18%	0.182	S	C	.	.			trans	-123.3	30.5	175.6	-65.8	179.3	176.8	-87.1	1	111.5	I421 Q422 S446 N467 D468	I421-R444 CarbonylContact O-C 3.07Å; I421-R444 WeakPolarHBondContact O-CA 3.34Å; I421-R444 PolarHBondContact O-N 2.89Å; Q422-R444 WeakPolarHBondContact CA-O 3.45Å; Q422-R444 HydrophobicContact CG-CB 4Å; R444-S446 PolarHBondContact O-N 2.87Å; R444-N467 PolarHBondContact N-OD1 3.02Å; R444-D468 VanDerWaalsContact CA-OD2 3.25Å; R444-D468 WeakPolarHBondContact CA-OD2 3.47Å
445	I	95.7	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.			trans	-69.4	108.9	-169.8	-60.8	159.7	0	0	0	108.2	I421 Q422 I424 L440 N443 V448 L464 N467 D468 I469	I421-I445 HydrophobicContact CB-CG1 4.37Å; I421-I445 HydrophobicContact CG2-CG1 4.14Å; I421-I445 WeakPolarHBondContact O-CG1 3.39Å; I421-I445 PolarHBondContact O-N 2.81Å; I421-I445 VanDerWaalsContact O-N 3.15Å; Q422-I445 WeakPolarHBondContact O-CA 3.38Å; I424-I445 HydrophobicContact CD1-CD1 4.06Å; I424-I445 HydrophobicContact CD1-CG2 4.22Å; I424-I445 HydrophobicContact CG1-CG2 4.15Å; L440-I445 HydrophobicContact CB-CD1 3.93Å; L440-I445 HydrophobicContact CD2-CD1 4.41Å; N443-I445 HydrophobicContact CB-CD1 3.98Å; N443-I445 HydrophobicContact CB-CG1 3.97Å; I445-V448 HydrophobicContact CG2-CG2 3.84Å; I445-L464 HydrophobicContact CD1-CD2 4.04Å; I445-N467 HydrophobicContact CB-CB 4.2Å; I445-N467 VanDerWaalsContact CB-OD1 3.28Å; I445-N467 WeakPolarHBondContact CB-OD1 3.36Å; I445-N467 WeakPolarHBondContact CD1-OD1 3.42Å; I445-N467 WeakPolarHBondContact CG1-OD1 3.44Å; I445-N467 PolarHBondContact N-OD1 3.38Å; I445-D468 CarbonylContact O-C 3.03Å; I445-D468 VanDerWaalsContact O-C 3.24Å; I445-D468 WeakPolarHBondContact O-CA 3.36Å; I445-D468 PolarHBondContact O-N 2.84Å; I445-I469 HydrophobicContact CG2-CD1 4.38Å; I445-I469 HydrophobicContact CG2-CG1 4.33Å; I445-I469 WeakPolarHBondContact O-CG1 3.31Å; I445-I469 PolarHBondContact O-N 2.85Å
446	S	94.5	Very high	91.2	Very high	65 Å²	65	36.8 Å²	36.8	46%	0.455	18%	0.181	S	C	.	.			trans	-108.1	-15.6	176.7	47.1	0	0	0	0	112.7	Q422 R444 D468	Q422-S446 PolarHBondContact O-N 2.93Å; R444-S446 PolarHBondContact O-N 2.87Å; S446-D468 WeakPolarHBondContact CA-O 3.47Å
447	Y	93.8	Very high	91.4	Very high	114 Å²	114	38 Å²	38	45%	0.447	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.4	-179.3	179.5	-98.2	0	0	0	112.5	K423 I424 Q449	K423-Y447 WeakPolarHBondContact CA-O 3.3Å; I424-Y447 PolarHBondContact N-O 3.08Å; Y447-Q449 HydrophobicContact CE1-CB 3.99Å
448	V	95.1	Very high	91.4	Very high	16 Å²	16	40.5 Å²	40.5	10%	0.097	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.1	172	-177.9	0	0	0	0	108	I424 I445 A452 F453 M476	I424-V448 HydrophobicContact CB-CG1 4.26Å; I424-V448 HydrophobicContact CB-CG2 4.38Å; I424-V448 HydrophobicContact CD1-CG2 4.13Å; I424-V448 HydrophobicContact CG1-CG2 4.36Å; I445-V448 HydrophobicContact CG2-CG2 3.84Å; V448-A452 HydrophobicContact CG1-CB 3.65Å; V448-F453 HydrophobicContact CG1-CE2 3.92Å; V448-F453 HydrophobicContact CG1-CZ 4.1Å; V448-M476 HydrophobicContact CB-CB 4.4Å; V448-M476 HydrophobicContact CB-CE 4.09Å; V448-M476 HydrophobicContact CG1-CB 4.04Å; V448-M476 HydrophobicContact CG1-CE 4.43Å; V448-M476 HydrophobicContact CG2-CE 4.16Å
449	Q	93.6	Very high	91.5	Very high	67 Å²	67	40.5 Å²	40.5	31%	0.313	20%	0.204	S	C	.	.			trans	-73.2	145.6	-179.7	-167.8	177.6	25.2	0	0	112	I424 Y447 G451 A452	I424-Q449 WeakPolarHBondContact O-CB 3.38Å; I424-Q449 PolarHBondContact O-N 3.2Å; Y447-Q449 HydrophobicContact CE1-CB 3.99Å; Q449-G451 PolarHBondContact O-N 3.08Å; Q449-A452 WeakPolarHBondContact O-CB 3.44Å; Q449-A452 PolarHBondContact O-N 3.04Å
450	D	92.7	Very high	91.6	Very high	90 Å²	90	43.3 Å²	43.3	48%	0.481	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	123.4	175.5	-76.5	-16.5	0	0	0	112.4	R426 T473 G475 M476	R426-D450 PolarHBondContact NH1-O 3.23Å; D450-T473 PolarHBondContact OD1-OG1 2.86Å; D450-T473 VanDerWaalsContact OD1-OG1 3.06Å; D450-G475 CarbonylContact C-O 3.33Å; D450-G475 VanDerWaalsContact OD1-CA 3.23Å; D450-G475 WeakPolarHBondContact OD1-CA 3.46Å; D450-M476 PolarHBondContact OD1-N 2.71Å
451	G	90.7	Very high	91.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	21.7	-172.2	0	0	0	0	0	114.5	Q449 F453 I454 G475	Q449-G451 PolarHBondContact O-N 3.08Å; G451-F453 PolarHBondContact O-N 3.34Å; G451-I454 VanDerWaalsContact O-CB 3.29Å; G451-I454 WeakPolarHBondContact O-CB 3.43Å; G451-I454 VanDerWaalsContact O-CG2 3.23Å; G451-I454 WeakPolarHBondContact O-CG2 3.42Å; G451-I454 PolarHBondContact O-N 3.01Å; G451-I454 VanDerWaalsContact O-N 3.09Å; G451-G475 PolarHBondContact N-O 3.34Å
452	A	92.9	Very high	91.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-40.8	170.1	0	0	0	0	0	112.5	I424 V448 Q449	I424-A452 HydrophobicContact CG2-CB 3.78Å; V448-A452 HydrophobicContact CG1-CB 3.65Å; Q449-A452 WeakPolarHBondContact O-CB 3.44Å; Q449-A452 PolarHBondContact O-N 3.04Å
453	F	94.1	Very high	91.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.2	-177.1	-49.2	-60.1	0	0	0	114	I424 F429 L438 V448 G451 N455 L456 L462 L464 M476 L480	I424-F453 HydrophobicContact CD1-CE1 4.43Å; I424-F453 HydrophobicContact CD1-CZ 4.23Å; F429-F453 AromaticContact CD2-CD1 3.86Å; F429-F453 HydrophobicContact CD2-CD1 3.86Å; F429-F453 HydrophobicContact CD2-CE1 4.02Å; F429-F453 HydrophobicContact CE2-CD1 4.01Å; F429-F453 AromaticContact CE2-CE1 3.69Å; F429-F453 HydrophobicContact CE2-CE1 3.69Å; L438-F453 HydrophobicContact CD2-CD1 4.39Å; L438-F453 HydrophobicContact CD2-CE1 4.16Å; V448-F453 HydrophobicContact CG1-CE2 3.92Å; V448-F453 HydrophobicContact CG1-CZ 4.1Å; G451-F453 PolarHBondContact O-N 3.34Å; F453-N455 PolarHBondContact O-N 2.78Å; F453-N455 VanDerWaalsContact O-N 3.08Å; F453-L456 HydrophobicContact CB-CD1 4.14Å; F453-L456 HydrophobicContact CD1-CD1 3.81Å; F453-L456 HydrophobicContact CG-CD1 4.42Å; F453-L456 WeakPolarHBondContact O-CB 3.38Å; F453-L456 PolarHBondContact O-N 2.74Å; F453-L462 HydrophobicContact CD2-CD2 4.42Å; F453-L462 HydrophobicContact CE2-CD2 4.08Å; F453-L462 HydrophobicContact CZ-CD2 4.16Å; F453-L464 HydrophobicContact CZ-CD1 4.48Å; F453-M476 VanDerWaalsContact CD2-O 3.26Å; F453-M476 WeakPolarHBondContact CD2-O 3.45Å; F453-L480 HydrophobicContact CB-CD1 4.04Å; F453-L480 HydrophobicContact CB-CD2 3.7Å; F453-L480 HydrophobicContact CB-CG 3.75Å; F453-L480 HydrophobicContact CD2-CD1 3.74Å; F453-L480 HydrophobicContact CD2-CG 4.4Å; F453-L480 HydrophobicContact CG-CD1 4.07Å; F453-L480 HydrophobicContact CG-CD2 4.3Å; F453-L480 HydrophobicContact CG-CG 4.33Å
454	I	91	Very high	91.7	Very high	49 Å²	49	41.1 Å²	41.1	25%	0.251	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.1	-173.1	-160.9	171.5	0	0	0	114.3	R426 G451 R478	R426-I454 HydrophobicContact CG-CG2 4.46Å; G451-I454 VanDerWaalsContact O-CB 3.29Å; G451-I454 WeakPolarHBondContact O-CB 3.43Å; G451-I454 VanDerWaalsContact O-CG2 3.23Å; G451-I454 WeakPolarHBondContact O-CG2 3.42Å; G451-I454 PolarHBondContact O-N 3.01Å; G451-I454 VanDerWaalsContact O-N 3.09Å; I454-R478 WeakPolarHBondContact CA-O 3.32Å; I454-R478 PolarHBondContact N-O 3.12Å
455	N	87.6	Confident	91.4	Very high	43 Å²	43	35.9 Å²	35.9	23%	0.23	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	11.8	179.9	-65.9	-36.4	0	0	0	113.5	F429 S433 F453 P457	F429-N455 WeakPolarHBondContact O-CB 3.32Å; S433-N455 WeakPolarHBondContact CA-O 3.41Å; F453-N455 PolarHBondContact O-N 2.78Å; F453-N455 VanDerWaalsContact O-N 3.08Å; N455-P457 WeakPolarHBondContact O-CD 3.46Å
456	L	91.9	Very high	91	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.			trans	-112.3	55.6	-177.4	-57.4	-175.5	0	0	0	112.9	F429 F432 L435 L438 F453 N458 L459 L480	F429-L456 HydrophobicContact CB-CD1 4.17Å; F429-L456 HydrophobicContact CB-CD2 4.07Å; F429-L456 HydrophobicContact CB-CG 4.14Å; F429-L456 HydrophobicContact CD1-CD1 4.45Å; F429-L456 HydrophobicContact CD2-CD1 4.37Å; F429-L456 HydrophobicContact CG-CD1 4.06Å; F432-L456 HydrophobicContact CB-CD2 3.6Å; F432-L456 WeakPolarHBondContact O-CD2 3.46Å; L435-L456 HydrophobicContact CB-CD2 4.09Å; L435-L456 HydrophobicContact CD1-CD2 4.17Å; L438-L456 HydrophobicContact CD2-CD1 3.87Å; F453-L456 HydrophobicContact CB-CD1 4.14Å; F453-L456 HydrophobicContact CD1-CD1 3.81Å; F453-L456 HydrophobicContact CG-CD1 4.42Å; F453-L456 WeakPolarHBondContact O-CB 3.38Å; F453-L456 PolarHBondContact O-N 2.74Å; L456-N458 VanDerWaalsContact C-N 3.26Å; L456-N458 PolarHBondContact O-N 3.39Å; L456-L459 HydrophobicContact CB-CB 4.16Å; L456-L459 HydrophobicContact CD1-CD2 4.16Å; L456-L459 PolarHBondContact O-N 2.71Å; L456-L480 HydrophobicContact CB-CD2 4.25Å
457	P	89.8	Confident	91	Very high	54 Å²	54	34 Å²	34	35%	0.351	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.9	-171.7	29.4	-36.8	0	0	0	113.7	N455 S482	N455-P457 WeakPolarHBondContact O-CD 3.46Å; P457-S482 VanDerWaalsContact O-CB 3.24Å; P457-S482 WeakPolarHBondContact O-CB 3.5Å; P457-S482 PolarHBondContact O-OG 2.87Å
458	N	89.1	Confident	91	Very high	79 Å²	79	31.9 Å²	31.9	42%	0.422	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.9	-176.8	-66.4	-59.4	0	0	0	114	S433 L435 L456 K460	S433-N458 PolarHBondContact O-ND2 3.07Å; L435-N458 CarbonylContact O-C 3.49Å; L456-N458 VanDerWaalsContact C-N 3.26Å; L456-N458 PolarHBondContact O-N 3.39Å; N458-K460 PolarHBondContact O-N 3.38Å
459	L	92.9	Very high	91.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.			trans	-65.6	127.2	-172.3	-162.7	77.1	0	0	0	110.9	L435 L438 L456 L462 L480 S482 L483	L435-L459 HydrophobicContact CB-CD1 4.05Å; L435-L459 HydrophobicContact CD2-CD1 4.05Å; L435-L459 WeakPolarHBondContact O-CA 3.41Å; L435-L459 PolarHBondContact O-N 3.38Å; L438-L459 HydrophobicContact CB-CD1 3.75Å; L438-L459 HydrophobicContact CB-CD2 4.15Å; L456-L459 HydrophobicContact CB-CB 4.16Å; L456-L459 HydrophobicContact CD1-CD2 4.16Å; L456-L459 PolarHBondContact O-N 2.71Å; L459-L462 HydrophobicContact CD2-CB 4.04Å; L459-L462 HydrophobicContact CD2-CD1 4.39Å; L459-L462 HydrophobicContact CD2-CD2 4.5Å; L459-L480 HydrophobicContact CB-CD2 3.98Å; L459-L480 HydrophobicContact CD2-CD2 3.55Å; L459-L480 HydrophobicContact CG-CD2 4.37Å; L459-S482 CarbonylContact O-C 3.58Å; L459-L483 HydrophobicContact CB-CD1 4.42Å; L459-L483 HydrophobicContact CD2-CD1 3.99Å; L459-L483 HydrophobicContact CG-CD1 4.07Å; L459-L483 WeakPolarHBondContact O-CA 3.31Å; L459-L483 PolarHBondContact O-N 3.5Å
460	K	87.3	Confident	91.1	Very high	84 Å²	84	32 Å²	32	37%	0.365	17%	0.171	S	C	.	.			trans	-106.4	-35.1	-178.6	-67	150	-171.6	159.8	0	112.2	D436 N458 H484 Y485	D436-K460 HydrophobicContact CB-CD 4.31Å; D436-K460 PolarHBondContact O-N 3.32Å; D436-K460 IonicContact OD1-NZ 2.65Å; D436-K460 PolarHBondContact OD1-NZ 3.37Å; D436-K460 IonicContact OD2-NZ 3.36Å; D436-K460 PolarHBondContact OD2-NZ 2.9Å; N458-K460 PolarHBondContact O-N 3.38Å; K460-H484 WeakPolarHBondContact O-CA 3.41Å; K460-H484 PolarHBondContact O-N 3.15Å; K460-Y485 PolarHBondContact O-N 2.88Å
461	S	85.6	Confident	91.1	Very high	19 Å²	19	32.9 Å²	32.9	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.7	-178.1	-54.9	0	0	0	0	111.5	D436 L437 L438 Y485	D436-S461 PolarHBondContact O-N 2.76Å; L437-S461 WeakPolarHBondContact CA-O 3.01Å; L438-S461 PolarHBondContact N-O 2.96Å; S461-Y485 WeakPolarHBondContact OG-CD2 3.05Å
462	L	93.6	Very high	91.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.5	177.8	177.4	56.1	0	0	0	110.2	L438 L440 F453 L459 L464 L480 L483 Y485 L486 Y487	L438-L462 HydrophobicContact CB-CD1 4.17Å; L438-L462 HydrophobicContact CD2-CD1 3.96Å; L438-L462 HydrophobicContact CG-CD1 3.99Å; L438-L462 WeakPolarHBondContact O-CA 3.4Å; L440-L462 HydrophobicContact CD1-CD1 4.4Å; F453-L462 HydrophobicContact CD2-CD2 4.42Å; F453-L462 HydrophobicContact CE2-CD2 4.08Å; F453-L462 HydrophobicContact CZ-CD2 4.16Å; L459-L462 HydrophobicContact CD2-CB 4.04Å; L459-L462 HydrophobicContact CD2-CD1 4.39Å; L459-L462 HydrophobicContact CD2-CD2 4.5Å; L462-L464 HydrophobicContact CD1-CD1 4.3Å; L462-L464 HydrophobicContact CD1-CG 4.18Å; L462-L464 HydrophobicContact CD2-CD1 3.98Å; L462-L464 HydrophobicContact CG-CD1 4.01Å; L462-L464 HydrophobicContact CG-CG 4.2Å; L462-L480 HydrophobicContact CD2-CD1 3.74Å; L462-L483 HydrophobicContact CB-CD1 3.79Å; L462-L483 HydrophobicContact CB-CD2 4.28Å; L462-Y485 PolarHBondContact N-O 2.87Å; L462-L486 HydrophobicContact CB-CD1 4.05Å; L462-L486 HydrophobicContact CD2-CD1 3.98Å; L462-L486 HydrophobicContact CG-CD1 4Å; L462-Y487 PolarHBondContact O-N 3.37Å; L462-Y487 VanDerWaalsContact O-N 3.13Å
463	F	87.6	Confident	91.3	Very high	42 Å²	42	34.4 Å²	34.4	18%	0.184	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.7	178.5	-56.1	-101.7	0	0	0	110	L437 L438 H439 L440 G441 Y487	L437-F463 HydrophobicContact CD1-CE2 4.07Å; L437-F463 HydrophobicContact CD2-CE2 4.3Å; L437-F463 HydrophobicContact CG-CE2 4.03Å; L438-F463 PolarHBondContact O-N 2.89Å; H439-F463 HydrophobicContact CB-CB 4.39Å; H439-F463 HydrophobicContact CB-CD2 4.09Å; H439-F463 AromaticContact CD2-CD1 3.89Å; H439-F463 AromaticContact CD2-CD2 3.6Å; H439-F463 AromaticContact CD2-CG 3.44Å; H439-F463 VanDerWaalsContact CD2-CG 3.44Å; H439-F463 WeakPolarHBondContact CD2-CG 3.25Å; H439-F463 AromaticContact NE2-CG 3.87Å; L440-F463 CarbonylContact C-O 3.48Å; L440-F463 WeakPolarHBondContact CA-O 2.98Å; L440-F463 WeakPolarHBondContact CB-O 3.43Å; L440-F463 PolarHBondContact N-O 3.35Å; G441-F463 PolarHBondContact N-O 3.16Å; F463-Y487 AromaticContact CD1-CD2 3.32Å; F463-Y487 HydrophobicContact CD1-CD2 3.32Å; F463-Y487 AromaticContact CD1-CE2 3.77Å; F463-Y487 HydrophobicContact CD1-CE2 3.77Å; F463-Y487 AromaticContact CD1-CG 3.85Å; F463-Y487 HydrophobicContact CD1-CG 3.85Å; F463-Y487 AromaticContact CE1-CD2 3.45Å; F463-Y487 HydrophobicContact CE1-CD2 3.45Å; F463-Y487 VanDerWaalsContact CE1-CD2 3.45Å; F463-Y487 AromaticContact CE1-CE2 3.34Å; F463-Y487 HydrophobicContact CE1-CE2 3.34Å; F463-Y487 HydrophobicContact CE1-CG 4.17Å; F463-Y487 HydrophobicContact CE2-CE2 4.47Å; F463-Y487 AromaticContact CG-CD2 3.92Å; F463-Y487 HydrophobicContact CG-CD2 3.92Å; F463-Y487 HydrophobicContact CG-CE2 4.49Å; F463-Y487 HydrophobicContact CZ-CD2 4.14Å; F463-Y487 AromaticContact CZ-CE2 3.75Å; F463-Y487 HydrophobicContact CZ-CE2 3.75Å
464	L	92.9	Very high	91.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.			trans	-126.6	13.5	176.7	-71.6	165.5	0	0	0	111.6	I424 L440 I445 F453 L462 N467 I469 Y487 F488 N491	I424-L464 HydrophobicContact CD1-CD2 4.47Å; L440-L464 HydrophobicContact CB-CD2 3.83Å; L440-L464 HydrophobicContact CD1-CD2 3.96Å; I445-L464 HydrophobicContact CD1-CD2 4.04Å; F453-L464 HydrophobicContact CZ-CD1 4.48Å; L462-L464 HydrophobicContact CD1-CD1 4.3Å; L462-L464 HydrophobicContact CD1-CG 4.18Å; L462-L464 HydrophobicContact CD2-CD1 3.98Å; L462-L464 HydrophobicContact CG-CD1 4.01Å; L462-L464 HydrophobicContact CG-CG 4.2Å; L464-N467 PolarHBondContact O-ND2 3.23Å; L464-I469 HydrophobicContact CB-CD1 4.27Å; L464-Y487 CarbonylContact C-O 3.43Å; L464-Y487 WeakPolarHBondContact CA-O 3.36Å; L464-Y487 PolarHBondContact N-O 2.89Å; L464-F488 HydrophobicContact CB-CD1 3.84Å; L464-F488 HydrophobicContact CB-CE1 3.72Å; L464-F488 HydrophobicContact CD1-CD1 4.47Å; L464-F488 HydrophobicContact CD1-CE1 3.54Å; L464-F488 HydrophobicContact CD1-CZ 3.73Å; L464-F488 HydrophobicContact CG-CE1 4.27Å; L464-N491 PolarHBondContact O-ND2 3.27Å
465	N	87.8	Confident	91.1	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.16	19%	0.187	C	C	.	.			trans	-58.2	148.9	174.8	57.3	-38	0	0	0	112.8	G441 N442 N467 Y487 E489	G441-N465 CarbonylContact C-O 3.56Å; G441-N465 WeakPolarHBondContact CA-O 3.41Å; G441-N465 WeakPolarHBondContact CA-OD1 3.33Å; N442-N465 PolarHBondContact N-O 3.23Å; N465-N467 PolarHBondContact O-ND2 3.27Å; N465-Y487 PolarHBondContact N-O 3.23Å; N465-Y487 VanDerWaalsContact N-O 3.14Å; N465-E489 CarbonylContact C-O 3.54Å; N465-E489 WeakPolarHBondContact CA-O 3.49Å; N465-E489 HydrophobicContact CB-CB 3.93Å; N465-E489 HydrophobicContact CB-CG 4.43Å
466	G	86.8	Confident	91.3	Very high	19 Å²	19	32.8 Å²	32.8	20%	0.196	18%	0.178	C	C	.	.	S	Bend	trans	61.4	58.6	-179.7	0	0	0	0	0	112.8	N442 N443 E489 F490 N491	N442-G466 CarbonylContact C-O 3.34Å; N442-G466 WeakPolarHBondContact CA-O 3.3Å; N442-G466 PolarHBondContact N-O 3.06Å; N443-G466 PolarHBondContact N-O 2.94Å; N443-G466 VanDerWaalsContact N-O 3.12Å; G466-E489 PolarHBondContact N-O 3.32Å; G466-F490 WeakPolarHBondContact CA-O 3.49Å; G466-N491 PolarHBondContact N-ND2 2.92Å
467	N	93.8	Very high	91.4	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.032	18%	0.178	C	C	.	.	S	Bend	trans	-143	171.7	179.5	-84	-74.1	0	0	0	111.2	L440 N443 R444 I445 L464 N465 I469 N491	L440-N467 PolarHBondContact O-ND2 2.87Å; N443-N467 VanDerWaalsContact CA-OD1 3.3Å; N443-N467 WeakPolarHBondContact CA-OD1 3.37Å; N443-N467 WeakPolarHBondContact CB-OD1 3.47Å; N443-N467 PolarHBondContact N-OD1 3.44Å; R444-N467 PolarHBondContact N-OD1 3.02Å; I445-N467 HydrophobicContact CB-CB 4.2Å; I445-N467 VanDerWaalsContact CB-OD1 3.28Å; I445-N467 WeakPolarHBondContact CB-OD1 3.36Å; I445-N467 WeakPolarHBondContact CD1-OD1 3.42Å; I445-N467 WeakPolarHBondContact CG1-OD1 3.44Å; I445-N467 PolarHBondContact N-OD1 3.38Å; L464-N467 PolarHBondContact O-ND2 3.23Å; N465-N467 PolarHBondContact O-ND2 3.27Å; N467-I469 VanDerWaalsContact C-N 3.34Å; N467-I469 HydrophobicContact CB-CD1 4.42Å; N467-I469 HydrophobicContact CB-CG1 4.18Å; N467-I469 PolarHBondContact O-N 2.66Å; N467-N491 VanDerWaalsContact C-OD1 3.28Å; N467-N491 VanDerWaalsContact CB-OD1 3.25Å; N467-N491 WeakPolarHBondContact CB-OD1 3.46Å; N467-N491 WeakPolarHBondContact O-CA 3.36Å; N467-N491 VanDerWaalsContact O-CG 3.28Å; N467-N491 PolarHBondContact O-OD1 2.68Å; N467-N491 VanDerWaalsContact O-OD1 3.07Å
468	D	95.2	Very high	91.5	Very high	69 Å²	69	37.1 Å²	37.1	37%	0.369	19%	0.187	S	C	.	.			trans	-94.2	28.5	-174.1	-63.4	-55.9	0	0	0	112.9	R444 I445 S446 E470	R444-D468 VanDerWaalsContact CA-OD2 3.25Å; R444-D468 WeakPolarHBondContact CA-OD2 3.47Å; I445-D468 CarbonylContact O-C 3.03Å; I445-D468 VanDerWaalsContact O-C 3.24Å; I445-D468 WeakPolarHBondContact O-CA 3.36Å; I445-D468 PolarHBondContact O-N 2.84Å; S446-D468 WeakPolarHBondContact CA-O 3.47Å; D468-E470 PolarHBondContact O-N 2.91Å
469	I	95.6	Very high	91.4	Very high	5 Å²	5	34 Å²	34	3%	0.026	17%	0.173	C	C	.	.			trans	-76.4	119.1	-173.1	-55.8	176.8	0	0	0	110.4	I445 L464 N467 L472 F488 N491 V492 I493	I445-I469 HydrophobicContact CG2-CD1 4.38Å; I445-I469 HydrophobicContact CG2-CG1 4.33Å; I445-I469 WeakPolarHBondContact O-CG1 3.31Å; I445-I469 PolarHBondContact O-N 2.85Å; L464-I469 HydrophobicContact CB-CD1 4.27Å; N467-I469 VanDerWaalsContact C-N 3.34Å; N467-I469 HydrophobicContact CB-CD1 4.42Å; N467-I469 HydrophobicContact CB-CG1 4.18Å; N467-I469 PolarHBondContact O-N 2.66Å; I469-L472 HydrophobicContact CG2-CD2 3.99Å; I469-F488 HydrophobicContact CD1-CD1 4.18Å; I469-F488 HydrophobicContact CD1-CE1 3.73Å; I469-N491 VanDerWaalsContact CB-OD1 3.31Å; I469-N491 WeakPolarHBondContact CB-OD1 3.21Å; I469-N491 WeakPolarHBondContact CG1-OD1 3.32Å; I469-N491 PolarHBondContact N-OD1 3.16Å; I469-V492 CarbonylContact O-C 3.24Å; I469-V492 VanDerWaalsContact O-C 3.23Å; I469-V492 PolarHBondContact O-N 3.42Å; I469-I493 HydrophobicContact CB-CG1 4.43Å; I469-I493 HydrophobicContact CG2-CG1 4.33Å; I469-I493 WeakPolarHBondContact O-CA 3.45Å; I469-I493 WeakPolarHBondContact O-CG1 3.21Å; I469-I493 PolarHBondContact O-N 2.72Å; I469-I493 VanDerWaalsContact O-N 3.08Å
470	E	94.3	Very high	91.4	Very high	80 Å²	80	34 Å²	34	37%	0.374	17%	0.173	S	C	.	.			trans	-93	-27.4	-179.1	-62.3	-157	148	0	0	115.2	D468 V492 I493 R494	D468-E470 PolarHBondContact O-N 2.91Å; E470-V492 HydrophobicContact CG-CG2 3.91Å; E470-I493 CarbonylContact O-C 3.17Å; E470-I493 WeakPolarHBondContact O-CA 3.36Å; E470-R494 PolarHBondContact O-N 3.19Å; E470-R494 IonicContact OE1-CZ 2.97Å; E470-R494 IonicContact OE1-NH1 3.64Å; E470-R494 PolarHBondContact OE1-NH1 3.42Å; E470-R494 IonicContact OE1-NH2 3Å; E470-R494 PolarHBondContact OE1-NH2 3.12Å; E470-R494 IonicContact OE2-CZ 2.75Å; E470-R494 IonicContact OE2-NH1 2.98Å; E470-R494 PolarHBondContact OE2-NH1 3.41Å
471	K	93.3	Very high	91.5	Very high	110 Å²	110	36.1 Å²	36.1	48%	0.478	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.3	-173.6	-57.4	-161.6	179.8	-160.2	0	112.7	E495	K471-E495 VanDerWaalsContact CA-O 3.31Å; K471-E495 WeakPolarHBondContact CA-O 3.39Å; K471-E495 HydrophobicContact CD-CB 4.22Å; K471-E495 VanDerWaalsContact CE-OE2 3.28Å; K471-E495 WeakPolarHBondContact CE-OE2 3.26Å; K471-E495 HydrophobicContact CG-CB 4.15Å; K471-E495 IonicContact NZ-OE1 2.75Å; K471-E495 IonicContact NZ-OE2 3.44Å; K471-E495 PolarHBondContact NZ-OE2 3.07Å
472	L	94.8	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.5	173.7	-56.7	-174.5	0	0	0	112	I469 M476 F477 F488 I493 E495 I496 Q497 F501 L512	I469-L472 HydrophobicContact CG2-CD2 3.99Å; L472-M476 HydrophobicContact CB-SD 4.2Å; L472-M476 HydrophobicContact CD2-CE 3.8Å; L472-M476 HydrophobicContact CD2-SD 3.81Å; L472-F477 HydrophobicContact CB-CE2 4.34Å; L472-F477 HydrophobicContact CD1-CZ 4.36Å; L472-F477 HydrophobicContact CD2-CZ 4.2Å; L472-F488 HydrophobicContact CD1-CD2 4.17Å; L472-F488 HydrophobicContact CD1-CE2 3.99Å; L472-F488 HydrophobicContact CD1-CZ 4.41Å; L472-F488 HydrophobicContact CD2-CD1 4.41Å; L472-F488 HydrophobicContact CD2-CE1 3.84Å; L472-F488 HydrophobicContact CD2-CE2 4.1Å; L472-F488 HydrophobicContact CD2-CZ 3.67Å; L472-I493 HydrophobicContact CD1-CD1 4.14Å; L472-I493 HydrophobicContact CD2-CD1 4.1Å; L472-I493 HydrophobicContact CG-CD1 4.16Å; L472-I493 HydrophobicContact CG-CG2 4.1Å; L472-E495 PolarHBondContact N-O 3.19Å; L472-I496 HydrophobicContact CB-CG1 4.29Å; L472-I496 HydrophobicContact CB-CG2 4.37Å; L472-I496 HydrophobicContact CD1-CD1 4.15Å; L472-I496 HydrophobicContact CD1-CG1 4.1Å; L472-I496 HydrophobicContact CG-CG1 4.34Å; L472-Q497 PolarHBondContact O-N 3.49Å; L472-F501 HydrophobicContact CD1-CE1 3.94Å; L472-F501 HydrophobicContact CD1-CZ 3.71Å; L472-L512 HydrophobicContact CD1-CD2 4.24Å
473	T	92.7	Very high	91.8	Very high	33 Å²	33	37.1 Å²	37.1	20%	0.202	19%	0.191	C	C	.	.			trans	-111	157.4	177.3	73.5	0	0	0	0	110.9	D450 G475 M476 F477	D450-T473 PolarHBondContact OD1-OG1 2.86Å; D450-T473 VanDerWaalsContact OD1-OG1 3.06Å; T473-G475 PolarHBondContact O-N 3.02Å; T473-G475 PolarHBondContact OG1-N 3.14Å; T473-M476 PolarHBondContact N-SD 3.23Å; T473-M476 WeakPolarHBondContact O-CG 3.08Å; T473-M476 PolarHBondContact OG1-N 3.22Å; T473-M476 VanDerWaalsContact OG1-N 3.09Å; T473-F477 VanDerWaalsContact O-CD2 3.28Å; T473-F477 WeakPolarHBondContact O-CD2 3.33Å
474	P	90.4	Very high	91.6	Very high	36 Å²	36	37.2 Å²	37.2	23%	0.234	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30	168.1	-15.6	28.7	0	0	0	111.9	M476 P498 L503	P474-M476 PolarHBondContact O-N 3.13Å; P474-P498 WeakPolarHBondContact CG-O 3.17Å; P474-L503 VanDerWaalsContact O-CD1 3.31Å; P474-L503 WeakPolarHBondContact O-CD1 3.45Å
475	G	90.1	Very high	91.3	Very high	17 Å²	17	41.8 Å²	41.8	18%	0.175	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-37.5	-175.9	0	0	0	0	0	113.7	D450 G451 T473 F477 R478	D450-G475 CarbonylContact C-O 3.33Å; D450-G475 VanDerWaalsContact OD1-CA 3.23Å; D450-G475 WeakPolarHBondContact OD1-CA 3.46Å; G451-G475 PolarHBondContact N-O 3.34Å; T473-G475 PolarHBondContact O-N 3.02Å; T473-G475 PolarHBondContact OG1-N 3.14Å; G475-F477 VanDerWaalsContact C-N 3.32Å; G475-F477 PolarHBondContact O-N 2.91Å; G475-R478 WeakPolarHBondContact O-CB 3.26Å; G475-R478 PolarHBondContact O-N 2.87Å
476	M	92.8	Very high	91.6	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.03	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.7	-177.8	74.8	-162.8	-76.9	0	0	112.6	V448 D450 F453 L472 T473 P474 R478 F488	V448-M476 HydrophobicContact CB-CB 4.4Å; V448-M476 HydrophobicContact CB-CE 4.09Å; V448-M476 HydrophobicContact CG1-CB 4.04Å; V448-M476 HydrophobicContact CG1-CE 4.43Å; V448-M476 HydrophobicContact CG2-CE 4.16Å; D450-M476 PolarHBondContact OD1-N 2.71Å; F453-M476 VanDerWaalsContact CD2-O 3.26Å; F453-M476 WeakPolarHBondContact CD2-O 3.45Å; L472-M476 HydrophobicContact CB-SD 4.2Å; L472-M476 HydrophobicContact CD2-CE 3.8Å; L472-M476 HydrophobicContact CD2-SD 3.81Å; T473-M476 PolarHBondContact N-SD 3.23Å; T473-M476 WeakPolarHBondContact O-CG 3.08Å; T473-M476 PolarHBondContact OG1-N 3.22Å; T473-M476 VanDerWaalsContact OG1-N 3.09Å; P474-M476 PolarHBondContact O-N 3.13Å; M476-R478 VanDerWaalsContact C-N 3.33Å; M476-R478 PolarHBondContact O-N 3.01Å; M476-F488 HydrophobicContact CE-CZ 4.23Å
477	F	92.8	Very high	91.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.5	-175.6	-57.7	-67	0	0	0	114.7	L472 T473 G475 G479 L480 L486 F488 A500 F501 M504	L472-F477 HydrophobicContact CB-CE2 4.34Å; L472-F477 HydrophobicContact CD1-CZ 4.36Å; L472-F477 HydrophobicContact CD2-CZ 4.2Å; T473-F477 VanDerWaalsContact O-CD2 3.28Å; T473-F477 WeakPolarHBondContact O-CD2 3.33Å; G475-F477 VanDerWaalsContact C-N 3.32Å; G475-F477 PolarHBondContact O-N 2.91Å; F477-G479 PolarHBondContact O-N 2.98Å; F477-L480 HydrophobicContact CB-CD1 4.37Å; F477-L480 HydrophobicContact CD1-CD1 4.06Å; F477-L480 WeakPolarHBondContact O-CB 3.42Å; F477-L480 PolarHBondContact O-N 2.65Å; F477-L480 VanDerWaalsContact O-N 3.13Å; F477-L486 HydrophobicContact CD1-CD2 4.44Å; F477-L486 HydrophobicContact CE1-CD1 4.47Å; F477-L486 HydrophobicContact CE1-CD2 3.92Å; F477-L486 HydrophobicContact CZ-CD2 4.43Å; F477-F488 AromaticContact CE1-CE2 3.72Å; F477-F488 HydrophobicContact CE1-CE2 3.72Å; F477-F488 AromaticContact CE1-CZ 3.62Å; F477-F488 HydrophobicContact CE1-CZ 3.62Å; F477-F488 AromaticContact CZ-CE2 3.56Å; F477-F488 HydrophobicContact CZ-CE2 3.56Å; F477-F488 AromaticContact CZ-CZ 3.57Å; F477-F488 HydrophobicContact CZ-CZ 3.57Å; F477-A500 WeakPolarHBondContact CD2-O 3.15Å; F477-F501 HydrophobicContact CE2-CD1 4.23Å; F477-F501 HydrophobicContact CE2-CE1 4.11Å; F477-F501 HydrophobicContact CZ-CD1 4.49Å; F477-F501 HydrophobicContact CZ-CE1 4.12Å; F477-M504 HydrophobicContact CB-CE 3.73Å; F477-M504 HydrophobicContact CB-CG 4.26Å; F477-M504 HydrophobicContact CB-SD 3.82Å; F477-M504 HydrophobicContact CD1-CE 3.54Å; F477-M504 HydrophobicContact CD1-SD 3.81Å; F477-M504 HydrophobicContact CD2-CE 3.87Å; F477-M504 HydrophobicContact CE1-CE 4.08Å; F477-M504 HydrophobicContact CE2-CE 4.36Å; F477-M504 HydrophobicContact CG-CE 3.42Å; F477-M504 VanDerWaalsContact CG-CE 3.42Å; F477-M504 HydrophobicContact CG-SD 3.96Å; F477-M504 HydrophobicContact CZ-CE 4.46Å
478	R	91.5	Very high	91.7	Very high	145 Å²	145	41 Å²	41	55%	0.547	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	108.5	-175.7	-177	177.7	-177.4	167.4	3.8	111.5	I454 G475 M476 L503	I454-R478 WeakPolarHBondContact CA-O 3.32Å; I454-R478 PolarHBondContact N-O 3.12Å; G475-R478 WeakPolarHBondContact O-CB 3.26Å; G475-R478 PolarHBondContact O-N 2.87Å; M476-R478 VanDerWaalsContact C-N 3.33Å; M476-R478 PolarHBondContact O-N 3.01Å; R478-L503 HydrophobicContact CB-CD1 3.76Å; R478-L503 HydrophobicContact CG-CD1 4.13Å
479	G	87.2	Confident	91.1	Very high	13 Å²	13	39.4 Å²	39.4	13%	0.134	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	133.3	-26.2	-178.9	0	0	0	0	0	113.5	F477 Q481	F477-G479 PolarHBondContact O-N 2.98Å; G479-Q481 PolarHBondContact O-N 3.31Å
480	L	93.1	Very high	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.			trans	-79.7	44.5	-169.1	-64.8	178.9	0	0	0	114.4	F453 L456 L459 L462 F477 S482 L483 M504	F453-L480 HydrophobicContact CB-CD1 4.04Å; F453-L480 HydrophobicContact CB-CD2 3.7Å; F453-L480 HydrophobicContact CB-CG 3.75Å; F453-L480 HydrophobicContact CD2-CD1 3.74Å; F453-L480 HydrophobicContact CD2-CG 4.4Å; F453-L480 HydrophobicContact CG-CD1 4.07Å; F453-L480 HydrophobicContact CG-CD2 4.3Å; F453-L480 HydrophobicContact CG-CG 4.33Å; L456-L480 HydrophobicContact CB-CD2 4.25Å; L459-L480 HydrophobicContact CB-CD2 3.98Å; L459-L480 HydrophobicContact CD2-CD2 3.55Å; L459-L480 HydrophobicContact CG-CD2 4.37Å; L462-L480 HydrophobicContact CD2-CD1 3.74Å; F477-L480 HydrophobicContact CB-CD1 4.37Å; F477-L480 HydrophobicContact CD1-CD1 4.06Å; F477-L480 WeakPolarHBondContact O-CB 3.42Å; F477-L480 PolarHBondContact O-N 2.65Å; F477-L480 VanDerWaalsContact O-N 3.13Å; L480-S482 VanDerWaalsContact C-N 3.28Å; L480-S482 PolarHBondContact O-N 2.92Å; L480-L483 HydrophobicContact CB-CB 4.1Å; L480-L483 HydrophobicContact CD1-CD2 4.29Å; L480-L483 WeakPolarHBondContact O-CB 3.41Å; L480-L483 PolarHBondContact O-N 3.45Å; L480-L483 VanDerWaalsContact O-N 3.11Å; L480-M504 HydrophobicContact CB-CG 3.81Å; L480-M504 HydrophobicContact CB-SD 3.82Å; L480-M504 HydrophobicContact CD1-SD 3.97Å
481	Q	90.6	Very high	90.6	Very high	129 Å²	129	41.6 Å²	41.6	60%	0.603	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.3	-172.8	-64.8	-178.8	-3.7	0	0	113.4	G479 N506	G479-Q481 PolarHBondContact O-N 3.31Å; Q481-N506 PolarHBondContact O-ND2 3.15Å
482	S	91.2	Very high	90.7	Very high	39 Å²	39	38.6 Å²	38.6	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.6	177.3	-64.6	0	0	0	0	114.8	P457 L459 L480 H484	P457-S482 VanDerWaalsContact O-CB 3.24Å; P457-S482 WeakPolarHBondContact O-CB 3.5Å; P457-S482 PolarHBondContact O-OG 2.87Å; L459-S482 CarbonylContact O-C 3.58Å; L480-S482 VanDerWaalsContact C-N 3.28Å; L480-S482 PolarHBondContact O-N 2.92Å; S482-H484 PolarHBondContact O-N 3.36Å; S482-H484 PolarHBondContact O-ND1 3.4Å
483	L	93.2	Very high	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.			trans	-67.9	134.5	-174.2	-160.1	78.8	0	0	0	111.6	L459 L462 L480 L486 M504 N506 L507	L459-L483 HydrophobicContact CB-CD1 4.42Å; L459-L483 HydrophobicContact CD2-CD1 3.99Å; L459-L483 HydrophobicContact CG-CD1 4.07Å; L459-L483 WeakPolarHBondContact O-CA 3.31Å; L459-L483 PolarHBondContact O-N 3.5Å; L462-L483 HydrophobicContact CB-CD1 3.79Å; L462-L483 HydrophobicContact CB-CD2 4.28Å; L480-L483 HydrophobicContact CB-CB 4.1Å; L480-L483 HydrophobicContact CD1-CD2 4.29Å; L480-L483 WeakPolarHBondContact O-CB 3.41Å; L480-L483 PolarHBondContact O-N 3.45Å; L480-L483 VanDerWaalsContact O-N 3.11Å; L483-L486 HydrophobicContact CD2-CB 3.96Å; L483-L486 HydrophobicContact CD2-CD1 4.14Å; L483-L486 HydrophobicContact CD2-CD2 4.06Å; L483-L486 HydrophobicContact CD2-CG 4.29Å; L483-M504 HydrophobicContact CB-SD 4.35Å; L483-M504 HydrophobicContact CD2-SD 3.54Å; L483-M504 VanDerWaalsContact CD2-SD 3.54Å; L483-N506 CarbonylContact O-C 3.58Å; L483-L507 HydrophobicContact CD2-CD1 4.19Å; L483-L507 HydrophobicContact CG-CD1 4.49Å; L483-L507 WeakPolarHBondContact O-CA 3.42Å; L483-L507 PolarHBondContact O-N 2.93Å; L483-L507 VanDerWaalsContact O-N 3.1Å
484	H	84.6	Confident	90.8	Very high	45 Å²	45	43 Å²	43	21%	0.208	20%	0.202	C	C	.	.			trans	-115	-37.9	-178.4	-80.2	58.5	0	0	0	112.1	K460 S482 K508 L509	K460-H484 WeakPolarHBondContact O-CA 3.41Å; K460-H484 PolarHBondContact O-N 3.15Å; S482-H484 PolarHBondContact O-N 3.36Å; S482-H484 PolarHBondContact O-ND1 3.4Å; H484-K508 PolarHBondContact CD2-NZ 3.33Å; H484-K508 PolarHBondContact NE2-NZ 3.33Å; H484-K508 PolarHBondContact O-N 3.09Å; H484-L509 PolarHBondContact O-N 2.95Å
485	Y	86.6	Confident	90.9	Very high	95 Å²	95	45.1 Å²	45.1	37%	0.373	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.1	-173.1	-51.5	-84.6	0	0	0	110.7	K460 S461 L462 L509	K460-Y485 PolarHBondContact O-N 2.88Å; S461-Y485 WeakPolarHBondContact OG-CD2 3.05Å; L462-Y485 PolarHBondContact N-O 2.87Å; Y485-L509 HydrophobicContact CD1-CB 3.75Å; Y485-L509 HydrophobicContact CD1-CD1 4.16Å; Y485-L509 HydrophobicContact CD1-CG 4.39Å; Y485-L509 HydrophobicContact CE1-CB 4.37Å
486	L	92.7	Very high	91.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	120.3	-177	-176.3	51.6	0	0	0	111	L462 F477 L483 F488 F501 M504 L507 L509 L510 F511	L462-L486 HydrophobicContact CB-CD1 4.05Å; L462-L486 HydrophobicContact CD2-CD1 3.98Å; L462-L486 HydrophobicContact CG-CD1 4Å; F477-L486 HydrophobicContact CD1-CD2 4.44Å; F477-L486 HydrophobicContact CE1-CD1 4.47Å; F477-L486 HydrophobicContact CE1-CD2 3.92Å; F477-L486 HydrophobicContact CZ-CD2 4.43Å; L483-L486 HydrophobicContact CD2-CB 3.96Å; L483-L486 HydrophobicContact CD2-CD1 4.14Å; L483-L486 HydrophobicContact CD2-CD2 4.06Å; L483-L486 HydrophobicContact CD2-CG 4.29Å; L486-F488 HydrophobicContact CD1-CD2 4.17Å; L486-F488 HydrophobicContact CD1-CE2 3.7Å; L486-F488 HydrophobicContact CD1-CZ 4.2Å; L486-F488 HydrophobicContact CD2-CD2 4.39Å; L486-F488 HydrophobicContact CD2-CE2 3.84Å; L486-F488 HydrophobicContact CG-CD2 3.93Å; L486-F488 HydrophobicContact CG-CE2 3.71Å; L486-F501 HydrophobicContact CD2-CD1 4.46Å; L486-F501 HydrophobicContact CD2-CE1 4.41Å; L486-M504 HydrophobicContact CD2-CE 3.69Å; L486-M504 HydrophobicContact CD2-SD 4.15Å; L486-L507 HydrophobicContact CB-CD1 3.71Å; L486-L507 HydrophobicContact CD2-CD1 4.45Å; L486-L507 HydrophobicContact CD2-CD2 4.3Å; L486-L509 PolarHBondContact N-O 3.14Å; L486-L510 HydrophobicContact CB-CD1 4.2Å; L486-L510 HydrophobicContact CD2-CD1 4.12Å; L486-L510 HydrophobicContact CG-CD1 4.03Å; L486-L510 WeakPolarHBondContact O-CA 3.36Å; L486-F511 PolarHBondContact O-N 3.46Å
487	Y	89.1	Confident	91.1	Very high	39 Å²	39	47.8 Å²	47.8	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.1	-174.1	-54.8	-90.3	0	0	0	110.8	L462 F463 L464 N465 E489 L509 F511	L462-Y487 PolarHBondContact O-N 3.37Å; L462-Y487 VanDerWaalsContact O-N 3.13Å; F463-Y487 AromaticContact CD1-CD2 3.32Å; F463-Y487 HydrophobicContact CD1-CD2 3.32Å; F463-Y487 AromaticContact CD1-CE2 3.77Å; F463-Y487 HydrophobicContact CD1-CE2 3.77Å; F463-Y487 AromaticContact CD1-CG 3.85Å; F463-Y487 HydrophobicContact CD1-CG 3.85Å; F463-Y487 AromaticContact CE1-CD2 3.45Å; F463-Y487 HydrophobicContact CE1-CD2 3.45Å; F463-Y487 VanDerWaalsContact CE1-CD2 3.45Å; F463-Y487 AromaticContact CE1-CE2 3.34Å; F463-Y487 HydrophobicContact CE1-CE2 3.34Å; F463-Y487 HydrophobicContact CE1-CG 4.17Å; F463-Y487 HydrophobicContact CE2-CE2 4.47Å; F463-Y487 AromaticContact CG-CD2 3.92Å; F463-Y487 HydrophobicContact CG-CD2 3.92Å; F463-Y487 HydrophobicContact CG-CE2 4.49Å; F463-Y487 HydrophobicContact CZ-CD2 4.14Å; F463-Y487 AromaticContact CZ-CE2 3.75Å; F463-Y487 HydrophobicContact CZ-CE2 3.75Å; L464-Y487 CarbonylContact C-O 3.43Å; L464-Y487 WeakPolarHBondContact CA-O 3.36Å; L464-Y487 PolarHBondContact N-O 2.89Å; N465-Y487 PolarHBondContact N-O 3.23Å; N465-Y487 VanDerWaalsContact N-O 3.14Å; Y487-E489 WeakPolarHBondContact CD1-OE1 3.37Å; Y487-L509 HydrophobicContact CD1-CD2 4.13Å; Y487-L509 HydrophobicContact CE1-CD2 3.51Å; Y487-F511 HydrophobicContact CD1-CB 4.1Å; Y487-F511 AromaticContact CD1-CD2 3.69Å; Y487-F511 HydrophobicContact CD1-CD2 3.69Å; Y487-F511 HydrophobicContact CD1-CE2 4.43Å; Y487-F511 HydrophobicContact CD1-CG 4.09Å; Y487-F511 AromaticContact CE1-CD2 3.81Å; Y487-F511 HydrophobicContact CE1-CD2 3.81Å; Y487-F511 HydrophobicContact CE1-CE2 4.11Å; Y487-F511 HydrophobicContact CE1-CG 4.33Å
488	F	93.5	Very high	91	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.24	C	C	.	.			trans	-125.6	17.2	180	-83.8	-62.3	0	0	0	112.8	L464 I469 L472 M476 F477 L486 N491 I493 L510 F511 L512 N515	L464-F488 HydrophobicContact CB-CD1 3.84Å; L464-F488 HydrophobicContact CB-CE1 3.72Å; L464-F488 HydrophobicContact CD1-CD1 4.47Å; L464-F488 HydrophobicContact CD1-CE1 3.54Å; L464-F488 HydrophobicContact CD1-CZ 3.73Å; L464-F488 HydrophobicContact CG-CE1 4.27Å; I469-F488 HydrophobicContact CD1-CD1 4.18Å; I469-F488 HydrophobicContact CD1-CE1 3.73Å; L472-F488 HydrophobicContact CD1-CD2 4.17Å; L472-F488 HydrophobicContact CD1-CE2 3.99Å; L472-F488 HydrophobicContact CD1-CZ 4.41Å; L472-F488 HydrophobicContact CD2-CD1 4.41Å; L472-F488 HydrophobicContact CD2-CE1 3.84Å; L472-F488 HydrophobicContact CD2-CE2 4.1Å; L472-F488 HydrophobicContact CD2-CZ 3.67Å; M476-F488 HydrophobicContact CE-CZ 4.23Å; F477-F488 AromaticContact CE1-CE2 3.72Å; F477-F488 HydrophobicContact CE1-CE2 3.72Å; F477-F488 AromaticContact CE1-CZ 3.62Å; F477-F488 HydrophobicContact CE1-CZ 3.62Å; F477-F488 AromaticContact CZ-CE2 3.56Å; F477-F488 HydrophobicContact CZ-CE2 3.56Å; F477-F488 AromaticContact CZ-CZ 3.57Å; F477-F488 HydrophobicContact CZ-CZ 3.57Å; L486-F488 HydrophobicContact CD1-CD2 4.17Å; L486-F488 HydrophobicContact CD1-CE2 3.7Å; L486-F488 HydrophobicContact CD1-CZ 4.2Å; L486-F488 HydrophobicContact CD2-CD2 4.39Å; L486-F488 HydrophobicContact CD2-CE2 3.84Å; L486-F488 HydrophobicContact CG-CD2 3.93Å; L486-F488 HydrophobicContact CG-CE2 3.71Å; F488-N491 WeakPolarHBondContact O-CB 3.45Å; F488-N491 PolarHBondContact O-ND2 3.47Å; F488-N491 VanDerWaalsContact O-ND2 3.15Å; F488-I493 HydrophobicContact CB-CD1 3.86Å; F488-I493 HydrophobicContact CD1-CD1 4Å; F488-I493 HydrophobicContact CG-CD1 4Å; F488-L510 HydrophobicContact CD2-CD1 4.3Å; F488-F511 WeakPolarHBondContact CA-O 3.48Å; F488-F511 WeakPolarHBondContact CB-O 3.35Å; F488-F511 PolarHBondContact N-O 3.46Å; F488-L512 HydrophobicContact CB-CD2 3.69Å; F488-L512 HydrophobicContact CD2-CD2 4.21Å; F488-L512 HydrophobicContact CG-CD2 4.28Å; F488-N515 PolarHBondContact O-ND2 3.33Å
489	E	83.1	Confident	90.9	Very high	36 Å²	36	46 Å²	46	17%	0.168	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	150.7	-179.2	-47.9	168.3	-119.5	0	0	112.2	N465 G466 Y487 N491 F511 N513	N465-E489 CarbonylContact C-O 3.54Å; N465-E489 WeakPolarHBondContact CA-O 3.49Å; N465-E489 HydrophobicContact CB-CB 3.93Å; N465-E489 HydrophobicContact CB-CG 4.43Å; G466-E489 PolarHBondContact N-O 3.32Å; Y487-E489 WeakPolarHBondContact CD1-OE1 3.37Å; E489-N491 PolarHBondContact O-N 3.45Å; E489-N491 PolarHBondContact O-ND2 3.37Å; E489-F511 HydrophobicContact CG-CB 3.72Å; E489-F511 HydrophobicContact CG-CD2 4.34Å; E489-N513 WeakPolarHBondContact CA-O 3.48Å; E489-N513 PolarHBondContact OE2-ND2 2.85Å
490	F	87.7	Confident	91	Very high	123 Å²	123	45.4 Å²	45.4	54%	0.539	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	43.2	175.6	-55.6	-96.7	0	0	0	112.8	G466 N513 N514	G466-F490 WeakPolarHBondContact CA-O 3.49Å; F490-N513 PolarHBondContact N-O 3.43Å; F490-N514 WeakPolarHBondContact CA-O 3.48Å; F490-N514 HydrophobicContact CD1-CB 4.06Å; F490-N514 HydrophobicContact CE1-CB 4.36Å; F490-N514 WeakPolarHBondContact CE1-ND2 3.36Å; F490-N514 HydrophobicContact CG-CB 4.25Å; F490-N514 WeakPolarHBondContact CZ-ND2 3.44Å
491	N	92.5	Very high	90.9	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.043	22%	0.22	C	C	.	.			trans	-109.1	-178.9	169.7	-83	-110.4	0	0	0	109.6	L464 G466 N467 I469 F488 E489 I493 N515	L464-N491 PolarHBondContact O-ND2 3.27Å; G466-N491 PolarHBondContact N-ND2 2.92Å; N467-N491 VanDerWaalsContact C-OD1 3.28Å; N467-N491 VanDerWaalsContact CB-OD1 3.25Å; N467-N491 WeakPolarHBondContact CB-OD1 3.46Å; N467-N491 WeakPolarHBondContact O-CA 3.36Å; N467-N491 VanDerWaalsContact O-CG 3.28Å; N467-N491 PolarHBondContact O-OD1 2.68Å; N467-N491 VanDerWaalsContact O-OD1 3.07Å; I469-N491 VanDerWaalsContact CB-OD1 3.31Å; I469-N491 WeakPolarHBondContact CB-OD1 3.21Å; I469-N491 WeakPolarHBondContact CG1-OD1 3.32Å; I469-N491 PolarHBondContact N-OD1 3.16Å; F488-N491 WeakPolarHBondContact O-CB 3.45Å; F488-N491 PolarHBondContact O-ND2 3.47Å; F488-N491 VanDerWaalsContact O-ND2 3.15Å; E489-N491 PolarHBondContact O-N 3.45Å; E489-N491 PolarHBondContact O-ND2 3.37Å; N491-I493 HydrophobicContact CB-CD1 4.15Å; N491-I493 HydrophobicContact CB-CG1 3.91Å; N491-N515 WeakPolarHBondContact CA-OD1 3.4Å; N491-N515 WeakPolarHBondContact CB-OD1 3.37Å; N491-N515 PolarHBondContact O-OD1 2.97Å; N491-N515 VanDerWaalsContact O-OD1 3.12Å
492	V	95	Very high	90.9	Very high	47 Å²	47	41.2 Å²	41.2	29%	0.285	21%	0.205	S	C	.	.			trans	-107.7	30.7	178.5	-69.7	0	0	0	0	112.2	I469 E470 R494 L516	I469-V492 CarbonylContact O-C 3.24Å; I469-V492 VanDerWaalsContact O-C 3.23Å; I469-V492 PolarHBondContact O-N 3.42Å; E470-V492 HydrophobicContact CG-CG2 3.91Å; V492-R494 PolarHBondContact O-N 2.86Å; V492-L516 HydrophobicContact CB-CD1 4Å; V492-L516 HydrophobicContact CG1-CD1 4.35Å
493	I	96.1	Very high	90.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.			trans	-67.6	118.2	-172.1	-54	166.6	0	0	0	109.6	I469 E470 L472 F488 N491 I496 L512 N515 L516 L517	I469-I493 HydrophobicContact CB-CG1 4.43Å; I469-I493 HydrophobicContact CG2-CG1 4.33Å; I469-I493 WeakPolarHBondContact O-CA 3.45Å; I469-I493 WeakPolarHBondContact O-CG1 3.21Å; I469-I493 PolarHBondContact O-N 2.72Å; I469-I493 VanDerWaalsContact O-N 3.08Å; E470-I493 CarbonylContact O-C 3.17Å; E470-I493 WeakPolarHBondContact O-CA 3.36Å; L472-I493 HydrophobicContact CD1-CD1 4.14Å; L472-I493 HydrophobicContact CD2-CD1 4.1Å; L472-I493 HydrophobicContact CG-CD1 4.16Å; L472-I493 HydrophobicContact CG-CG2 4.1Å; F488-I493 HydrophobicContact CB-CD1 3.86Å; F488-I493 HydrophobicContact CD1-CD1 4Å; F488-I493 HydrophobicContact CG-CD1 4Å; N491-I493 HydrophobicContact CB-CD1 4.15Å; N491-I493 HydrophobicContact CB-CG1 3.91Å; I493-I496 HydrophobicContact CG2-CG1 4.3Å; I493-L512 HydrophobicContact CD1-CD2 3.9Å; I493-N515 VanDerWaalsContact CB-OD1 3.26Å; I493-N515 WeakPolarHBondContact CB-OD1 3.14Å; I493-N515 WeakPolarHBondContact CG1-OD1 3.45Å; I493-N515 PolarHBondContact N-OD1 2.57Å; I493-L516 CarbonylContact O-C 3.32Å; I493-L516 VanDerWaalsContact O-CA 3.27Å; I493-L516 WeakPolarHBondContact O-CA 3.38Å; I493-L516 WeakPolarHBondContact O-CB 3.12Å; I493-L516 PolarHBondContact O-N 2.94Å; I493-L517 HydrophobicContact CB-CD2 4.32Å; I493-L517 HydrophobicContact CG2-CD2 3.73Å; I493-L517 PolarHBondContact O-N 2.8Å; I493-L517 VanDerWaalsContact O-N 3.16Å
494	R	93.9	Very high	90.7	Very high	125 Å²	125	42.6 Å²	42.6	47%	0.472	21%	0.209	S	C	.	.			trans	-101.1	-27.8	178	-58.7	-176.6	-165.2	112.2	17.1	112.9	E470 V492 L516	E470-R494 PolarHBondContact O-N 3.19Å; E470-R494 IonicContact OE1-CZ 2.97Å; E470-R494 IonicContact OE1-NH1 3.64Å; E470-R494 PolarHBondContact OE1-NH1 3.42Å; E470-R494 IonicContact OE1-NH2 3Å; E470-R494 PolarHBondContact OE1-NH2 3.12Å; E470-R494 IonicContact OE2-CZ 2.75Å; E470-R494 IonicContact OE2-NH1 2.98Å; E470-R494 PolarHBondContact OE2-NH1 3.41Å; V492-R494 PolarHBondContact O-N 2.86Å; R494-L516 HydrophobicContact CG-CB 3.77Å; R494-L516 HydrophobicContact CG-CD1 3.98Å
495	E	92.4	Very high	90.9	Very high	80 Å²	80	43.5 Å²	43.5	37%	0.374	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.2	-169	-172	-173	132.3	0	0	111.3	K471 L472	K471-E495 VanDerWaalsContact CA-O 3.31Å; K471-E495 WeakPolarHBondContact CA-O 3.39Å; K471-E495 HydrophobicContact CD-CB 4.22Å; K471-E495 VanDerWaalsContact CE-OE2 3.28Å; K471-E495 WeakPolarHBondContact CE-OE2 3.26Å; K471-E495 HydrophobicContact CG-CB 4.15Å; K471-E495 IonicContact NZ-OE1 2.75Å; K471-E495 IonicContact NZ-OE2 3.44Å; K471-E495 PolarHBondContact NZ-OE2 3.07Å; L472-E495 PolarHBondContact N-O 3.19Å
496	I	94.8	Very high	91	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.7	169.4	-59.7	-179.8	0	0	0	106.3	L472 I493 A500 F501 L512 L517 L520 P521	L472-I496 HydrophobicContact CB-CG1 4.29Å; L472-I496 HydrophobicContact CB-CG2 4.37Å; L472-I496 HydrophobicContact CD1-CD1 4.15Å; L472-I496 HydrophobicContact CD1-CG1 4.1Å; L472-I496 HydrophobicContact CG-CG1 4.34Å; I493-I496 HydrophobicContact CG2-CG1 4.3Å; I496-A500 HydrophobicContact CG2-CB 3.68Å; I496-F501 HydrophobicContact CD1-CE2 4.18Å; I496-F501 HydrophobicContact CD1-CZ 4.13Å; I496-F501 HydrophobicContact CG2-CE2 4.06Å; I496-F501 HydrophobicContact CG2-CZ 4.36Å; I496-L512 HydrophobicContact CD1-CD1 4.05Å; I496-L517 HydrophobicContact CD1-CD1 4.04Å; I496-L517 HydrophobicContact CD1-CD2 3.96Å; I496-L517 HydrophobicContact CG1-CD2 3.84Å; I496-L520 HydrophobicContact CD1-CD2 3.95Å; I496-P521 WeakPolarHBondContact O-CD 3.41Å; I496-P521 VanDerWaalsContact O-CG 3.27Å; I496-P521 WeakPolarHBondContact O-CG 3.49Å
497	Q	92.3	Very high	90.9	Very high	72 Å²	72	42.6 Å²	42.6	34%	0.336	22%	0.22	S	C	.	.			trans	-80.8	154.7	177.3	-72.2	-175	-18.8	0	0	112.3	L472 A499 A500	L472-Q497 PolarHBondContact O-N 3.49Å; Q497-A499 PolarHBondContact O-N 3.41Å; Q497-A500 VanDerWaalsContact O-CB 3.28Å; Q497-A500 WeakPolarHBondContact O-CB 3.4Å; Q497-A500 PolarHBondContact O-N 2.99Å
498	P	90.1	Very high	90.6	Very high	77 Å²	77	45.2 Å²	45.2	50%	0.5	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	140.8	174	-24.5	32.6	0	0	0	111.8	P474 A500 P521	P474-P498 WeakPolarHBondContact CG-O 3.17Å; P498-A500 PolarHBondContact O-N 3.08Å; P498-A500 VanDerWaalsContact O-N 3.1Å; P498-P521 HydrophobicContact CB-CB 4.4Å; P498-P521 HydrophobicContact CG-CB 3.94Å
499	A	88.5	Confident	90.2	Very high	30 Å²	30	45.8 Å²	45.8	25%	0.248	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	20.2	-178.9	0	0	0	0	0	116.1	Q497 F501 S502 D523	Q497-A499 PolarHBondContact O-N 3.41Å; A499-F501 VanDerWaalsContact C-N 3.27Å; A499-F501 PolarHBondContact O-N 3.21Å; A499-S502 VanDerWaalsContact O-CB 3.27Å; A499-S502 WeakPolarHBondContact O-CB 3.47Å; A499-S502 PolarHBondContact O-N 2.85Å; A499-S502 PolarHBondContact O-OG 2.87Å; A499-D523 VanDerWaalsContact CA-O 3.24Å; A499-D523 WeakPolarHBondContact CA-O 3.39Å; A499-D523 PolarHBondContact N-O 3Å; A499-D523 VanDerWaalsContact N-O 3.17Å
500	A	89.3	Confident	90.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.3	-178.4	0	0	0	0	0	113.8	F477 I496 Q497 P498	F477-A500 WeakPolarHBondContact CD2-O 3.15Å; I496-A500 HydrophobicContact CG2-CB 3.68Å; Q497-A500 VanDerWaalsContact O-CB 3.28Å; Q497-A500 WeakPolarHBondContact O-CB 3.4Å; Q497-A500 PolarHBondContact O-N 2.99Å; P498-A500 PolarHBondContact O-N 3.08Å; P498-A500 VanDerWaalsContact O-N 3.1Å
501	F	92.1	Very high	90.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.6	-178.2	-53.6	-62.6	0	0	0	114.1	L472 F477 L486 I496 A499 L503 M504 L510 L512 A524 F525 T528	L472-F501 HydrophobicContact CD1-CE1 3.94Å; L472-F501 HydrophobicContact CD1-CZ 3.71Å; F477-F501 HydrophobicContact CE2-CD1 4.23Å; F477-F501 HydrophobicContact CE2-CE1 4.11Å; F477-F501 HydrophobicContact CZ-CD1 4.49Å; F477-F501 HydrophobicContact CZ-CE1 4.12Å; L486-F501 HydrophobicContact CD2-CD1 4.46Å; L486-F501 HydrophobicContact CD2-CE1 4.41Å; I496-F501 HydrophobicContact CD1-CE2 4.18Å; I496-F501 HydrophobicContact CD1-CZ 4.13Å; I496-F501 HydrophobicContact CG2-CE2 4.06Å; I496-F501 HydrophobicContact CG2-CZ 4.36Å; A499-F501 VanDerWaalsContact C-N 3.27Å; A499-F501 PolarHBondContact O-N 3.21Å; F501-L503 PolarHBondContact O-N 3.12Å; F501-L503 VanDerWaalsContact O-N 3.07Å; F501-M504 HydrophobicContact CB-CE 4.35Å; F501-M504 HydrophobicContact CD1-CE 3.76Å; F501-M504 PolarHBondContact O-N 3.45Å; F501-L510 HydrophobicContact CD1-CD2 4.34Å; F501-L510 HydrophobicContact CD2-CD2 4.05Å; F501-L510 HydrophobicContact CE1-CD1 4.18Å; F501-L510 HydrophobicContact CE1-CD2 4.03Å; F501-L510 HydrophobicContact CE2-CD2 3.72Å; F501-L510 HydrophobicContact CG-CD2 4.36Å; F501-L510 HydrophobicContact CZ-CD1 4.33Å; F501-L510 HydrophobicContact CZ-CD2 3.71Å; F501-L512 HydrophobicContact CZ-CD1 4.3Å; F501-A524 WeakPolarHBondContact CD2-O 3.16Å; F501-F525 AromaticContact CD2-CD1 3.75Å; F501-F525 HydrophobicContact CD2-CD1 3.75Å; F501-F525 AromaticContact CD2-CE1 3.84Å; F501-F525 HydrophobicContact CD2-CE1 3.84Å; F501-F525 HydrophobicContact CE2-CD1 4.26Å; F501-F525 AromaticContact CE2-CE1 3.86Å; F501-F525 HydrophobicContact CE2-CE1 3.86Å; F501-T528 HydrophobicContact CB-CG2 3.74Å; F501-T528 WeakPolarHBondContact O-CG2 2.98Å
502	S	89.5	Confident	90.7	Very high	41 Å²	41	40.2 Å²	40.2	29%	0.287	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.7	-173.3	65.9	0	0	0	0	115.3	A499 M504 A526	A499-S502 VanDerWaalsContact O-CB 3.27Å; A499-S502 WeakPolarHBondContact O-CB 3.47Å; A499-S502 PolarHBondContact O-N 2.85Å; A499-S502 PolarHBondContact O-OG 2.87Å; S502-M504 PolarHBondContact O-N 3.24Å; S502-A526 WeakPolarHBondContact CA-O 3.44Å; S502-A526 VanDerWaalsContact CB-O 3.26Å; S502-A526 WeakPolarHBondContact CB-O 3.48Å
503	L	88.7	Confident	90.4	Very high	69 Å²	69	38.6 Å²	38.6	36%	0.361	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.8	178.1	-56.8	-171.4	0	0	0	113.7	P474 R478 F501 P505	P474-L503 VanDerWaalsContact O-CD1 3.31Å; P474-L503 WeakPolarHBondContact O-CD1 3.45Å; R478-L503 HydrophobicContact CB-CD1 3.76Å; R478-L503 HydrophobicContact CG-CD1 4.13Å; F501-L503 PolarHBondContact O-N 3.12Å; F501-L503 VanDerWaalsContact O-N 3.07Å; L503-P505 WeakPolarHBondContact O-CD 3.32Å
504	M	92.5	Very high	90.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.			trans	-124.5	67.2	-177.2	-60	-177.7	-72.2	0	0	111.1	F477 L480 L483 L486 F501 S502 N506 L507	F477-M504 HydrophobicContact CB-CE 3.73Å; F477-M504 HydrophobicContact CB-CG 4.26Å; F477-M504 HydrophobicContact CB-SD 3.82Å; F477-M504 HydrophobicContact CD1-CE 3.54Å; F477-M504 HydrophobicContact CD1-SD 3.81Å; F477-M504 HydrophobicContact CD2-CE 3.87Å; F477-M504 HydrophobicContact CE1-CE 4.08Å; F477-M504 HydrophobicContact CE2-CE 4.36Å; F477-M504 HydrophobicContact CG-CE 3.42Å; F477-M504 VanDerWaalsContact CG-CE 3.42Å; F477-M504 HydrophobicContact CG-SD 3.96Å; F477-M504 HydrophobicContact CZ-CE 4.46Å; L480-M504 HydrophobicContact CB-CG 3.81Å; L480-M504 HydrophobicContact CB-SD 3.82Å; L480-M504 HydrophobicContact CD1-SD 3.97Å; L483-M504 HydrophobicContact CB-SD 4.35Å; L483-M504 HydrophobicContact CD2-SD 3.54Å; L483-M504 VanDerWaalsContact CD2-SD 3.54Å; L486-M504 HydrophobicContact CD2-CE 3.69Å; L486-M504 HydrophobicContact CD2-SD 4.15Å; F501-M504 HydrophobicContact CB-CE 4.35Å; F501-M504 HydrophobicContact CD1-CE 3.76Å; F501-M504 PolarHBondContact O-N 3.45Å; S502-M504 PolarHBondContact O-N 3.24Å; M504-N506 PolarHBondContact O-N 3Å; M504-N506 VanDerWaalsContact O-N 3.15Å; M504-L507 HydrophobicContact CB-CB 4.18Å; M504-L507 HydrophobicContact CE-CD2 4.35Å; M504-L507 WeakPolarHBondContact O-CB 3.38Å; M504-L507 PolarHBondContact O-N 3.14Å; M504-L507 VanDerWaalsContact O-N 3.09Å
505	P	89.6	Confident	90.1	Very high	63 Å²	63	34.9 Å²	34.9	41%	0.409	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.5	-171.3	27.2	-36.5	0	0	0	114.3	L503 L507 G527	L503-P505 WeakPolarHBondContact O-CD 3.32Å; P505-L507 VanDerWaalsContact C-N 3.33Å; P505-G527 WeakPolarHBondContact CA-O 3.17Å
506	N	88.3	Confident	90.2	Very high	76 Å²	76	33.6 Å²	33.6	41%	0.406	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.6	177.7	-69.8	-69.3	0	0	0	113.9	Q481 L483 M504 K508	Q481-N506 PolarHBondContact O-ND2 3.15Å; L483-N506 CarbonylContact O-C 3.58Å; M504-N506 PolarHBondContact O-N 3Å; M504-N506 VanDerWaalsContact O-N 3.15Å; N506-K508 PolarHBondContact O-N 2.83Å
507	L	90.5	Very high	90.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.			trans	-67.2	121.4	-175.6	-173.6	67.1	0	0	0	111	L483 L486 M504 P505 L510 S529 L530	L483-L507 HydrophobicContact CD2-CD1 4.19Å; L483-L507 HydrophobicContact CG-CD1 4.49Å; L483-L507 WeakPolarHBondContact O-CA 3.42Å; L483-L507 PolarHBondContact O-N 2.93Å; L483-L507 VanDerWaalsContact O-N 3.1Å; L486-L507 HydrophobicContact CB-CD1 3.71Å; L486-L507 HydrophobicContact CD2-CD1 4.45Å; L486-L507 HydrophobicContact CD2-CD2 4.3Å; M504-L507 HydrophobicContact CB-CB 4.18Å; M504-L507 HydrophobicContact CE-CD2 4.35Å; M504-L507 WeakPolarHBondContact O-CB 3.38Å; M504-L507 PolarHBondContact O-N 3.14Å; M504-L507 VanDerWaalsContact O-N 3.09Å; P505-L507 VanDerWaalsContact C-N 3.33Å; L507-L510 HydrophobicContact CD2-CB 4.47Å; L507-S529 CarbonylContact O-C 3.55Å; L507-S529 VanDerWaalsContact O-C 3.32Å; L507-L530 HydrophobicContact CB-CD2 4.49Å; L507-L530 HydrophobicContact CD2-CD2 3.95Å; L507-L530 HydrophobicContact CG-CD2 3.78Å; L507-L530 PolarHBondContact O-N 2.84Å
508	K	83.5	Confident	90.2	Very high	94 Å²	94	38.5 Å²	38.5	41%	0.409	20%	0.2	S	C	.	.			trans	-112.4	-30.7	-176.2	-71.7	166.5	-171.6	165.1	0	113	H484 N506 A531 R532	H484-K508 PolarHBondContact CD2-NZ 3.33Å; H484-K508 PolarHBondContact NE2-NZ 3.33Å; H484-K508 PolarHBondContact O-N 3.09Å; N506-K508 PolarHBondContact O-N 2.83Å; K508-A531 PolarHBondContact O-N 2.88Å; K508-R532 PolarHBondContact O-N 3.02Å
509	L	84.9	Confident	90.2	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.068	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.9	-178.8	-175.4	153	0	0	0	110.2	H484 Y485 L486 Y487 F511 R532	H484-L509 PolarHBondContact O-N 2.95Å; Y485-L509 HydrophobicContact CD1-CB 3.75Å; Y485-L509 HydrophobicContact CD1-CD1 4.16Å; Y485-L509 HydrophobicContact CD1-CG 4.39Å; Y485-L509 HydrophobicContact CE1-CB 4.37Å; L486-L509 PolarHBondContact N-O 3.14Å; Y487-L509 HydrophobicContact CD1-CD2 4.13Å; Y487-L509 HydrophobicContact CE1-CD2 3.51Å; L509-F511 HydrophobicContact CD1-CE1 3.95Å; L509-F511 HydrophobicContact CD1-CZ 4.11Å; L509-F511 HydrophobicContact CD2-CD1 3.61Å; L509-F511 HydrophobicContact CD2-CD2 4.36Å; L509-F511 HydrophobicContact CD2-CE1 3.79Å; L509-F511 HydrophobicContact CD2-CG 3.92Å; L509-F511 HydrophobicContact CD2-CZ 4.24Å; L509-F511 HydrophobicContact CG-CD1 4.04Å; L509-F511 HydrophobicContact CG-CE1 3.83Å; L509-F511 HydrophobicContact CG-CZ 4.41Å; L509-R532 WeakPolarHBondContact CA-O 3.11Å; L509-R532 HydrophobicContact CB-CB 4.35Å; L509-R532 HydrophobicContact CD1-CB 4.21Å; L509-R532 HydrophobicContact CG-CB 4.05Å
510	L	92.2	Very high	90.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	113.7	176.2	175.8	58.7	0	0	0	109.9	L486 F488 F501 L507 L512 F525 L530 R532 L533 N534	L486-L510 HydrophobicContact CB-CD1 4.2Å; L486-L510 HydrophobicContact CD2-CD1 4.12Å; L486-L510 HydrophobicContact CG-CD1 4.03Å; L486-L510 WeakPolarHBondContact O-CA 3.36Å; F488-L510 HydrophobicContact CD2-CD1 4.3Å; F501-L510 HydrophobicContact CD1-CD2 4.34Å; F501-L510 HydrophobicContact CD2-CD2 4.05Å; F501-L510 HydrophobicContact CE1-CD1 4.18Å; F501-L510 HydrophobicContact CE1-CD2 4.03Å; F501-L510 HydrophobicContact CE2-CD2 3.72Å; F501-L510 HydrophobicContact CG-CD2 4.36Å; F501-L510 HydrophobicContact CZ-CD1 4.33Å; F501-L510 HydrophobicContact CZ-CD2 3.71Å; L507-L510 HydrophobicContact CD2-CB 4.47Å; L510-L512 HydrophobicContact CD1-CD1 4.19Å; L510-L512 HydrophobicContact CD1-CG 4.07Å; L510-L512 HydrophobicContact CD2-CD1 3.84Å; L510-L512 HydrophobicContact CG-CD1 3.88Å; L510-L512 HydrophobicContact CG-CG 4.11Å; L510-F525 HydrophobicContact CD2-CE1 3.85Å; L510-L530 HydrophobicContact CB-CD1 4.43Å; L510-L530 HydrophobicContact CB-CD2 3.72Å; L510-L530 HydrophobicContact CD2-CD1 4.18Å; L510-R532 PolarHBondContact N-O 2.69Å; L510-L533 HydrophobicContact CB-CD1 4.24Å; L510-L533 HydrophobicContact CD2-CD1 4.12Å; L510-L533 HydrophobicContact CG-CD1 4.15Å; L510-L533 WeakPolarHBondContact O-CA 3.43Å; L510-N534 PolarHBondContact O-N 3.29Å
511	F	87.8	Confident	90.5	Very high	50 Å²	50	38.1 Å²	38.1	22%	0.219	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.7	175.7	-76.5	4.8	0	0	0	110.3	L486 Y487 F488 E489 L509 N534	L486-F511 PolarHBondContact O-N 3.46Å; Y487-F511 HydrophobicContact CD1-CB 4.1Å; Y487-F511 AromaticContact CD1-CD2 3.69Å; Y487-F511 HydrophobicContact CD1-CD2 3.69Å; Y487-F511 HydrophobicContact CD1-CE2 4.43Å; Y487-F511 HydrophobicContact CD1-CG 4.09Å; Y487-F511 AromaticContact CE1-CD2 3.81Å; Y487-F511 HydrophobicContact CE1-CD2 3.81Å; Y487-F511 HydrophobicContact CE1-CE2 4.11Å; Y487-F511 HydrophobicContact CE1-CG 4.33Å; F488-F511 WeakPolarHBondContact CA-O 3.48Å; F488-F511 WeakPolarHBondContact CB-O 3.35Å; F488-F511 PolarHBondContact N-O 3.46Å; E489-F511 HydrophobicContact CG-CB 3.72Å; E489-F511 HydrophobicContact CG-CD2 4.34Å; L509-F511 HydrophobicContact CD1-CE1 3.95Å; L509-F511 HydrophobicContact CD1-CZ 4.11Å; L509-F511 HydrophobicContact CD2-CD1 3.61Å; L509-F511 HydrophobicContact CD2-CD2 4.36Å; L509-F511 HydrophobicContact CD2-CE1 3.79Å; L509-F511 HydrophobicContact CD2-CG 3.92Å; L509-F511 HydrophobicContact CD2-CZ 4.24Å; L509-F511 HydrophobicContact CG-CD1 4.04Å; L509-F511 HydrophobicContact CG-CE1 3.83Å; L509-F511 HydrophobicContact CG-CZ 4.41Å; F511-N534 HydrophobicContact CB-CB 4.4Å; F511-N534 HydrophobicContact CD1-CB 3.55Å; F511-N534 HydrophobicContact CE1-CB 3.99Å; F511-N534 HydrophobicContact CG-CB 4.04Å
512	L	93.6	Very high	90	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.			trans	-126.7	16.8	-178.5	-76.2	164.3	0	0	0	111.5	L472 F488 I493 I496 F501 L510 N515 L517 N534 L535 N538	L472-L512 HydrophobicContact CD1-CD2 4.24Å; F488-L512 HydrophobicContact CB-CD2 3.69Å; F488-L512 HydrophobicContact CD2-CD2 4.21Å; F488-L512 HydrophobicContact CG-CD2 4.28Å; I493-L512 HydrophobicContact CD1-CD2 3.9Å; I496-L512 HydrophobicContact CD1-CD1 4.05Å; F501-L512 HydrophobicContact CZ-CD1 4.3Å; L510-L512 HydrophobicContact CD1-CD1 4.19Å; L510-L512 HydrophobicContact CD1-CG 4.07Å; L510-L512 HydrophobicContact CD2-CD1 3.84Å; L510-L512 HydrophobicContact CG-CD1 3.88Å; L510-L512 HydrophobicContact CG-CG 4.11Å; L512-N515 WeakPolarHBondContact O-CB 3.46Å; L512-N515 PolarHBondContact O-ND2 3.06Å; L512-L517 HydrophobicContact CB-CD1 4.31Å; L512-L517 HydrophobicContact CD1-CD1 4.4Å; L512-N534 CarbonylContact C-O 3.57Å; L512-N534 WeakPolarHBondContact CA-O 3.16Å; L512-N534 WeakPolarHBondContact CB-O 3.37Å; L512-N534 PolarHBondContact N-O 2.8Å; L512-L535 HydrophobicContact CB-CD2 4.07Å; L512-L535 HydrophobicContact CD1-CD2 4.14Å; L512-N538 PolarHBondContact O-ND2 2.97Å
513	N	88.3	Confident	89.8	Confident	13 Å²	13	43.4 Å²	43.4	7%	0.07	22%	0.221	C	C	.	.			trans	-63.6	155.8	178.6	44.3	-74.5	0	0	0	113.2	E489 F490 N515 N534 R536	E489-N513 WeakPolarHBondContact CA-O 3.48Å; E489-N513 PolarHBondContact OE2-ND2 2.85Å; F490-N513 PolarHBondContact N-O 3.43Å; N513-N515 PolarHBondContact O-ND2 2.72Å; N513-N534 WeakPolarHBondContact CB-OD1 3.38Å; N513-N534 PolarHBondContact N-O 3.49Å; N513-R536 CarbonylContact C-O 3.58Å; N513-R536 WeakPolarHBondContact CA-O 3.4Å; N513-R536 HydrophobicContact CB-CB 4.03Å; N513-R536 WeakPolarHBondContact CB-O 3.38Å
514	N	88.8	Confident	89.8	Confident	43 Å²	43	40.1 Å²	40.1	23%	0.23	20%	0.204	C	C	.	.	S	Bend	trans	54.9	54	179.3	-57.5	10.5	0	0	0	111.8	F490 R536 K537	F490-N514 WeakPolarHBondContact CA-O 3.48Å; F490-N514 HydrophobicContact CD1-CB 4.06Å; F490-N514 HydrophobicContact CE1-CB 4.36Å; F490-N514 WeakPolarHBondContact CE1-ND2 3.36Å; F490-N514 HydrophobicContact CG-CB 4.25Å; F490-N514 WeakPolarHBondContact CZ-ND2 3.44Å; N514-R536 PolarHBondContact N-O 2.99Å; N514-K537 WeakPolarHBondContact CA-O 3.43Å; N514-K537 HydrophobicContact CB-CD 4.41Å; N514-K537 WeakPolarHBondContact OD1-CB 3.32Å; N514-K537 VanDerWaalsContact OD1-CD 3.29Å; N514-K537 WeakPolarHBondContact OD1-CD 3.4Å
515	N	94.1	Very high	89.6	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-128.2	-173.5	178.9	-89.5	-87.4	0	0	0	110.4	F488 N491 I493 L512 N513 L517 K537 N538	F488-N515 PolarHBondContact O-ND2 3.33Å; N491-N515 WeakPolarHBondContact CA-OD1 3.4Å; N491-N515 WeakPolarHBondContact CB-OD1 3.37Å; N491-N515 PolarHBondContact O-OD1 2.97Å; N491-N515 VanDerWaalsContact O-OD1 3.12Å; I493-N515 VanDerWaalsContact CB-OD1 3.26Å; I493-N515 WeakPolarHBondContact CB-OD1 3.14Å; I493-N515 WeakPolarHBondContact CG1-OD1 3.45Å; I493-N515 PolarHBondContact N-OD1 2.57Å; L512-N515 WeakPolarHBondContact O-CB 3.46Å; L512-N515 PolarHBondContact O-ND2 3.06Å; N513-N515 PolarHBondContact O-ND2 2.72Å; N515-L517 HydrophobicContact CB-CG 4.46Å; N515-K537 PolarHBondContact N-O 2.95Å; N515-N538 WeakPolarHBondContact CA-OD1 3.35Å; N515-N538 WeakPolarHBondContact CB-OD1 3.31Å; N515-N538 PolarHBondContact O-OD1 3.13Å
516	L	95.1	Very high	89.4	Confident	53 Å²	53	38.1 Å²	38.1	28%	0.277	19%	0.193	S	C	.	.			trans	-109.8	20.3	-174.2	-56.5	-177.9	0	0	0	113.2	V492 I493 R494 Y539	V492-L516 HydrophobicContact CB-CD1 4Å; V492-L516 HydrophobicContact CG1-CD1 4.35Å; I493-L516 CarbonylContact O-C 3.32Å; I493-L516 VanDerWaalsContact O-CA 3.27Å; I493-L516 WeakPolarHBondContact O-CA 3.38Å; I493-L516 WeakPolarHBondContact O-CB 3.12Å; I493-L516 PolarHBondContact O-N 2.94Å; R494-L516 HydrophobicContact CG-CB 3.77Å; R494-L516 HydrophobicContact CG-CD1 3.98Å; L516-Y539 HydrophobicContact CD2-CD2 4.34Å; L516-Y539 HydrophobicContact CD2-CE2 3.7Å
517	L	95.4	Very high	89.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.			trans	-69.2	136.3	-174.9	-60.8	171.9	0	0	0	111.3	I493 I496 L512 N515 L535 N538 Y539 F540	I493-L517 HydrophobicContact CB-CD2 4.32Å; I493-L517 HydrophobicContact CG2-CD2 3.73Å; I493-L517 PolarHBondContact O-N 2.8Å; I493-L517 VanDerWaalsContact O-N 3.16Å; I496-L517 HydrophobicContact CD1-CD1 4.04Å; I496-L517 HydrophobicContact CD1-CD2 3.96Å; I496-L517 HydrophobicContact CG1-CD2 3.84Å; L512-L517 HydrophobicContact CB-CD1 4.31Å; L512-L517 HydrophobicContact CD1-CD1 4.4Å; N515-L517 HydrophobicContact CB-CG 4.46Å; L517-L535 HydrophobicContact CD1-CD2 4.48Å; L517-N538 HydrophobicContact CB-CB 4.28Å; L517-N538 VanDerWaalsContact CB-OD1 3.3Å; L517-N538 WeakPolarHBondContact CB-OD1 3.25Å; L517-N538 WeakPolarHBondContact CG-OD1 3.12Å; L517-N538 PolarHBondContact N-OD1 3Å; L517-N538 VanDerWaalsContact N-OD1 3.11Å; L517-Y539 CarbonylContact O-C 3.39Å; L517-Y539 VanDerWaalsContact O-C 3.24Å; L517-Y539 VanDerWaalsContact O-CA 3.26Å; L517-Y539 WeakPolarHBondContact O-CA 3.47Å; L517-Y539 WeakPolarHBondContact O-CB 3.31Å; L517-Y539 PolarHBondContact O-N 3.4Å; L517-F540 HydrophobicContact CB-CE1 3.91Å; L517-F540 HydrophobicContact CB-CE2 4.05Å; L517-F540 HydrophobicContact CB-CZ 3.45Å; L517-F540 VanDerWaalsContact CB-CZ 3.45Å; L517-F540 HydrophobicContact CD1-CE2 4.49Å; L517-F540 HydrophobicContact CD1-CZ 3.93Å; L517-F540 HydrophobicContact CG-CZ 4.33Å; L517-F540 PolarHBondContact O-N 3.5Å
518	R	92.1	Very high	89	Confident	183 Å²	183	37.5 Å²	37.5	69%	0.691	20%	0.203	S	C	*	.			trans	-111.8	-25.9	177.8	-66.5	-175.7	177.3	-154.2	-2.2	114.7	Y539 F540	R518-Y539 WeakPolarHBondContact CA-O 3.27Å; R518-F540 VanDerWaalsContact C-CD1 3.49Å; R518-F540 WeakPolarHBondContact O-CD1 3.46Å
519	T	90.3	Very high	89.1	Confident	69 Å²	69	36 Å²	36	42%	0.423	20%	0.204	S	C	.	.			trans	-159.5	168.5	178.9	-170.6	0	0	0	0	108.9
520	L	92.2	Very high	89.1	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.016	20%	0.202	C	C	.	.			trans	-119.5	137.6	174.7	-63.4	178	0	0	0	108.6	I496 F525 L535 F540 L543 V548	I496-L520 HydrophobicContact CD1-CD2 3.95Å; L520-F525 HydrophobicContact CD1-CE2 3.69Å; L520-F525 HydrophobicContact CD1-CZ 3.76Å; L520-L535 HydrophobicContact CD1-CD1 4.34Å; L520-F540 HydrophobicContact CD2-CE1 4.18Å; L520-F540 HydrophobicContact CD2-CZ 4.08Å; L520-F540 HydrophobicContact CG-CE1 3.9Å; L520-F540 HydrophobicContact CG-CZ 4.12Å; L520-L543 HydrophobicContact CB-CD2 4.45Å; L520-L543 HydrophobicContact CD1-CD2 3.92Å; L520-L543 HydrophobicContact CG-CD2 3.95Å; L520-V548 HydrophobicContact CB-CG1 3.97Å; L520-V548 HydrophobicContact CD1-CG1 4Å
521	P	90.5	Very high	88.6	Confident	28 Å²	28	36.7 Å²	36.7	18%	0.182	21%	0.212	C	C	.	.			trans	-68.1	152	176.8	32.2	-37.7	0	0	0	110.3	I496 P498 D523 A524 V548	I496-P521 WeakPolarHBondContact O-CD 3.41Å; I496-P521 VanDerWaalsContact O-CG 3.27Å; I496-P521 WeakPolarHBondContact O-CG 3.49Å; P498-P521 HydrophobicContact CB-CB 4.4Å; P498-P521 HydrophobicContact CG-CB 3.94Å; P521-D523 PolarHBondContact O-N 3.04Å; P521-A524 HydrophobicContact CG-CB 3.96Å; P521-A524 WeakPolarHBondContact O-CB 3.49Å; P521-A524 PolarHBondContact O-N 3.47Å; P521-A524 VanDerWaalsContact O-N 3.14Å; P521-V548 WeakPolarHBondContact O-CG2 3.3Å
522	T	82.7	Confident	88.2	Confident	80 Å²	80	39.7 Å²	39.7	49%	0.491	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	141.2	162.4	52.4	0	0	0	0	109.6	A524	T522-A524 VanDerWaalsContact C-N 3.26Å; T522-A524 PolarHBondContact O-N 3.41Å
523	D	85.6	Confident	88	Confident	71 Å²	71	39.9 Å²	39.9	38%	0.38	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	13.6	-177.4	-47.3	-47.7	0	0	0	115.7	A499 P521 F525 A526 G547 H551	A499-D523 VanDerWaalsContact CA-O 3.24Å; A499-D523 WeakPolarHBondContact CA-O 3.39Å; A499-D523 PolarHBondContact N-O 3Å; A499-D523 VanDerWaalsContact N-O 3.17Å; P521-D523 PolarHBondContact O-N 3.04Å; D523-F525 PolarHBondContact O-N 3.02Å; D523-A526 HydrophobicContact CB-CB 3.79Å; D523-A526 WeakPolarHBondContact O-CB 3.42Å; D523-A526 PolarHBondContact O-N 2.93Å; D523-A526 VanDerWaalsContact O-N 3.14Å; D523-G547 WeakPolarHBondContact CA-O 3.4Å; D523-G547 PolarHBondContact N-O 2.89Å; D523-H551 IonicContact OD1-CE1 2.83Å; D523-H551 PolarHBondContact OD1-CE1 3.32Å
524	A	87.3	Confident	87.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-46	175	0	0	0	0	0	113.2	F501 P521 T522	F501-A524 WeakPolarHBondContact CD2-O 3.16Å; P521-A524 HydrophobicContact CG-CB 3.96Å; P521-A524 WeakPolarHBondContact O-CB 3.49Å; P521-A524 PolarHBondContact O-N 3.47Å; P521-A524 VanDerWaalsContact O-N 3.14Å; T522-A524 VanDerWaalsContact C-N 3.26Å; T522-A524 PolarHBondContact O-N 3.41Å
525	F	88.9	Confident	88	Confident	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	5.5	-176.9	-54.3	-54.2	0	0	0	113.9	F501 L510 L520 D523 G527 T528 L530 L533 V548 H551 L552	F501-F525 AromaticContact CD2-CD1 3.75Å; F501-F525 HydrophobicContact CD2-CD1 3.75Å; F501-F525 AromaticContact CD2-CE1 3.84Å; F501-F525 HydrophobicContact CD2-CE1 3.84Å; F501-F525 HydrophobicContact CE2-CD1 4.26Å; F501-F525 AromaticContact CE2-CE1 3.86Å; F501-F525 HydrophobicContact CE2-CE1 3.86Å; L510-F525 HydrophobicContact CD2-CE1 3.85Å; L520-F525 HydrophobicContact CD1-CE2 3.69Å; L520-F525 HydrophobicContact CD1-CZ 3.76Å; D523-F525 PolarHBondContact O-N 3.02Å; F525-G527 PolarHBondContact O-N 3.33Å; F525-T528 WeakPolarHBondContact O-CB 3.36Å; F525-T528 PolarHBondContact O-N 3.39Å; F525-T528 PolarHBondContact O-OG1 3.41Å; F525-L530 HydrophobicContact CD1-CD1 3.55Å; F525-L530 HydrophobicContact CE1-CD1 3.85Å; F525-L530 HydrophobicContact CG-CD1 4.12Å; F525-L533 HydrophobicContact CE1-CD1 4.42Å; F525-L533 HydrophobicContact CE1-CD2 4.49Å; F525-L533 HydrophobicContact CE2-CD2 3.95Å; F525-L533 HydrophobicContact CZ-CD1 4.19Å; F525-L533 HydrophobicContact CZ-CD2 3.76Å; F525-V548 HydrophobicContact CD2-CG1 3.79Å; F525-V548 HydrophobicContact CE2-CG1 3.79Å; F525-H551 HydrophobicContact CB-CB 4.46Å; F525-L552 HydrophobicContact CB-CD2 4.1Å; F525-L552 HydrophobicContact CD2-CD1 4.32Å; F525-L552 HydrophobicContact CD2-CD2 3.76Å; F525-L552 HydrophobicContact CD2-CG 4.19Å; F525-L552 HydrophobicContact CE2-CD1 4.37Å; F525-L552 HydrophobicContact CE2-CD2 4.38Å; F525-L552 HydrophobicContact CG-CD2 3.97Å
526	A	85.6	Confident	87.8	Confident	20 Å²	20	43.1 Å²	43.1	17%	0.165	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	129.8	-176.7	0	0	0	0	0	111.4	S502 D523 T528	S502-A526 WeakPolarHBondContact CA-O 3.44Å; S502-A526 VanDerWaalsContact CB-O 3.26Å; S502-A526 WeakPolarHBondContact CB-O 3.48Å; D523-A526 HydrophobicContact CB-CB 3.79Å; D523-A526 WeakPolarHBondContact O-CB 3.42Å; D523-A526 PolarHBondContact O-N 2.93Å; D523-A526 VanDerWaalsContact O-N 3.14Å; A526-T528 VanDerWaalsContact C-N 3.33Å
527	G	82.4	Confident	87.4	Confident	56 Å²	56	45.2 Å²	45.2	58%	0.577	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	3	-177.4	0	0	0	0	0	115.9	P505 F525	P505-G527 WeakPolarHBondContact CA-O 3.17Å; F525-G527 PolarHBondContact O-N 3.33Å
528	T	87.1	Confident	87.4	Confident	8 Å²	8	45.4 Å²	45.4	5%	0.049	24%	0.24	C	C	.	.			trans	-96.3	173.5	171.9	70.9	0	0	0	0	112.2	F501 F525 A526	F501-T528 HydrophobicContact CB-CG2 3.74Å; F501-T528 WeakPolarHBondContact O-CG2 2.98Å; F525-T528 WeakPolarHBondContact O-CB 3.36Å; F525-T528 PolarHBondContact O-N 3.39Å; F525-T528 PolarHBondContact O-OG1 3.41Å; A526-T528 VanDerWaalsContact C-N 3.33Å
529	S	85.3	Confident	87.5	Confident	62 Å²	62	42.6 Å²	42.6	43%	0.434	23%	0.23	S	C	.	.			trans	-140.5	58.8	176	-71.3	0	0	0	0	110.6	L507 A531	L507-S529 CarbonylContact O-C 3.55Å; L507-S529 VanDerWaalsContact O-C 3.32Å; S529-A531 PolarHBondContact O-N 2.91Å
530	L	86.6	Confident	87.7	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.21	C	C	.	.			trans	-61.6	124.9	-179.1	-70.5	173.1	0	0	0	111.5	L507 L510 F525 L552 A554 I555	L507-L530 HydrophobicContact CB-CD2 4.49Å; L507-L530 HydrophobicContact CD2-CD2 3.95Å; L507-L530 HydrophobicContact CG-CD2 3.78Å; L507-L530 PolarHBondContact O-N 2.84Å; L510-L530 HydrophobicContact CB-CD1 4.43Å; L510-L530 HydrophobicContact CB-CD2 3.72Å; L510-L530 HydrophobicContact CD2-CD1 4.18Å; F525-L530 HydrophobicContact CD1-CD1 3.55Å; F525-L530 HydrophobicContact CE1-CD1 3.85Å; F525-L530 HydrophobicContact CG-CD1 4.12Å; L530-L552 HydrophobicContact CB-CD2 4.21Å; L530-L552 HydrophobicContact CD1-CD2 4.08Å; L530-A554 CarbonylContact O-C 3.1Å; L530-I555 WeakPolarHBondContact O-CA 3.42Å; L530-I555 PolarHBondContact O-N 2.96Å
531	A	80.1	Confident	87.6	Confident	26 Å²	26	43.2 Å²	43.2	22%	0.215	23%	0.23	C	C	.	.	S	Bend	trans	-99.9	-27.5	171.9	0	0	0	0	0	112	K508 S529 V556 Q557	K508-A531 PolarHBondContact O-N 2.88Å; S529-A531 PolarHBondContact O-N 2.91Å; A531-V556 HydrophobicContact CB-CG2 4.21Å; A531-V556 WeakPolarHBondContact O-CA 3.29Å; A531-V556 WeakPolarHBondContact O-CB 3.36Å; A531-V556 PolarHBondContact O-N 2.98Å; A531-Q557 PolarHBondContact O-N 3.43Å
532	R	80.3	Confident	87.5	Confident	113 Å²	113	47 Å²	47	43%	0.426	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.5	173.4	-64	-160.8	169.4	107.5	-6.7	111.6	K508 L509 L510 Q557	K508-R532 PolarHBondContact O-N 3.02Å; L509-R532 WeakPolarHBondContact CA-O 3.11Å; L509-R532 HydrophobicContact CB-CB 4.35Å; L509-R532 HydrophobicContact CD1-CB 4.21Å; L509-R532 HydrophobicContact CG-CB 4.05Å; L510-R532 PolarHBondContact N-O 2.69Å; R532-Q557 VanDerWaalsContact CA-O 3.3Å; R532-Q557 WeakPolarHBondContact CA-O 3.32Å; R532-Q557 HydrophobicContact CG-CB 4.09Å
533	L	88.5	Confident	87.9	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	116.6	178.3	174.9	57.7	0	0	0	110.1	L510 F525 L535 L552 I555 Q557 I558 D559	L510-L533 HydrophobicContact CB-CD1 4.24Å; L510-L533 HydrophobicContact CD2-CD1 4.12Å; L510-L533 HydrophobicContact CG-CD1 4.15Å; L510-L533 WeakPolarHBondContact O-CA 3.43Å; F525-L533 HydrophobicContact CE1-CD1 4.42Å; F525-L533 HydrophobicContact CE1-CD2 4.49Å; F525-L533 HydrophobicContact CE2-CD2 3.95Å; F525-L533 HydrophobicContact CZ-CD1 4.19Å; F525-L533 HydrophobicContact CZ-CD2 3.76Å; L533-L535 HydrophobicContact CD1-CD2 4.2Å; L533-L535 HydrophobicContact CD1-CG 4.11Å; L533-L535 HydrophobicContact CD2-CD1 4.04Å; L533-L535 HydrophobicContact CD2-CG 4.41Å; L533-L535 HydrophobicContact CG-CD1 4.19Å; L533-L535 HydrophobicContact CG-CG 4.03Å; L533-L552 HydrophobicContact CD2-CD1 3.87Å; L533-I555 HydrophobicContact CB-CD1 3.92Å; L533-Q557 PolarHBondContact N-O 2.88Å; L533-I558 HydrophobicContact CB-CG1 4.23Å; L533-I558 HydrophobicContact CD2-CD1 4.02Å; L533-I558 HydrophobicContact CD2-CG1 4.34Å; L533-I558 HydrophobicContact CG-CG1 4.29Å; L533-I558 VanDerWaalsContact O-CA 3.25Å; L533-I558 WeakPolarHBondContact O-CA 3.28Å; L533-D559 PolarHBondContact O-N 3.32Å
534	N	86	Confident	87.9	Confident	22 Å²	22	41.8 Å²	41.8	12%	0.118	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.8	174	-161	-30.8	0	0	0	110.9	L510 F511 L512 N513 R536 D559	L510-N534 PolarHBondContact O-N 3.29Å; F511-N534 HydrophobicContact CB-CB 4.4Å; F511-N534 HydrophobicContact CD1-CB 3.55Å; F511-N534 HydrophobicContact CE1-CB 3.99Å; F511-N534 HydrophobicContact CG-CB 4.04Å; L512-N534 CarbonylContact C-O 3.57Å; L512-N534 WeakPolarHBondContact CA-O 3.16Å; L512-N534 WeakPolarHBondContact CB-O 3.37Å; L512-N534 PolarHBondContact N-O 2.8Å; N513-N534 WeakPolarHBondContact CB-OD1 3.38Å; N513-N534 PolarHBondContact N-O 3.49Å; N534-R536 WeakPolarHBondContact OD1-CB 3.36Å; N534-R536 PolarHBondContact OD1-N 3.24Å; N534-D559 HydrophobicContact CB-CB 4.36Å; N534-D559 PolarHBondContact ND2-OD2 3.18Å; N534-D559 WeakPolarHBondContact OD1-CB 3.35Å; N534-D559 PolarHBondContact OD1-OD2 2.68Å
535	L	92.5	Very high	87.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.			trans	-119.8	10.6	177.3	-67.4	174	0	0	0	112.3	L512 L517 L520 L533 N538 F540 L543 D559 L560 N563	L512-L535 HydrophobicContact CB-CD2 4.07Å; L512-L535 HydrophobicContact CD1-CD2 4.14Å; L517-L535 HydrophobicContact CD1-CD2 4.48Å; L520-L535 HydrophobicContact CD1-CD1 4.34Å; L533-L535 HydrophobicContact CD1-CD2 4.2Å; L533-L535 HydrophobicContact CD1-CG 4.11Å; L533-L535 HydrophobicContact CD2-CD1 4.04Å; L533-L535 HydrophobicContact CD2-CG 4.41Å; L533-L535 HydrophobicContact CG-CD1 4.19Å; L533-L535 HydrophobicContact CG-CG 4.03Å; L535-N538 PolarHBondContact O-ND2 3.29Å; L535-F540 HydrophobicContact CB-CE2 3.98Å; L535-F540 HydrophobicContact CD1-CE2 4.32Å; L535-F540 HydrophobicContact CD2-CE2 3.94Å; L535-F540 HydrophobicContact CD2-CZ 4.1Å; L535-F540 HydrophobicContact CG-CE2 4.3Å; L535-L543 HydrophobicContact CD1-CD1 4.18Å; L535-D559 CarbonylContact C-O 3.18Å; L535-D559 WeakPolarHBondContact CA-O 3.44Å; L535-D559 PolarHBondContact N-O 3.44Å; L535-L560 HydrophobicContact CB-CD2 4.36Å; L535-L560 HydrophobicContact CD1-CD2 4.15Å; L535-N563 PolarHBondContact O-ND2 3.49Å
536	R	89.1	Confident	87.6	Confident	106 Å²	106	46.5 Å²	46.5	40%	0.4	25%	0.249	S	C	.	.			trans	-53.2	142.5	-178.4	179.6	169.9	170.1	-165.6	-2	112.9	N513 N514 N534 N538 D559 N561 E562	N513-R536 CarbonylContact C-O 3.58Å; N513-R536 WeakPolarHBondContact CA-O 3.4Å; N513-R536 HydrophobicContact CB-CB 4.03Å; N513-R536 WeakPolarHBondContact CB-O 3.38Å; N514-R536 PolarHBondContact N-O 2.99Å; N534-R536 WeakPolarHBondContact OD1-CB 3.36Å; N534-R536 PolarHBondContact OD1-N 3.24Å; R536-N538 PolarHBondContact O-N 2.96Å; R536-N538 PolarHBondContact O-ND2 3.31Å; R536-D559 WeakPolarHBondContact CB-OD2 3.37Å; R536-D559 VanDerWaalsContact CD-OD2 3.29Å; R536-D559 WeakPolarHBondContact CD-OD2 3.25Å; R536-D559 PolarHBondContact N-O 3.38Å; R536-N561 CarbonylContact C-O 3.56Å; R536-N561 VanDerWaalsContact CA-O 3.26Å; R536-N561 WeakPolarHBondContact CA-O 3.48Å; R536-N561 HydrophobicContact CG-CB 4.02Å; R536-E562 HydrophobicContact CG-CB 4.43Å; R536-E562 IonicContact CZ-OE1 2.71Å; R536-E562 IonicContact NE-OE1 2.66Å; R536-E562 PolarHBondContact NE-OE1 2.92Å; R536-E562 IonicContact NH2-OE1 3.52Å; R536-E562 PolarHBondContact NH2-OE1 3.31Å
537	K	87.3	Confident	87.3	Confident	96 Å²	96	46.2 Å²	46.2	42%	0.417	25%	0.248	S	C	.	.	S	Bend	trans	54.7	51.2	173	-157.6	-165.8	-160.7	90.1	0	112.2	N514 N515 N561 E562	N514-K537 WeakPolarHBondContact CA-O 3.43Å; N514-K537 HydrophobicContact CB-CD 4.41Å; N514-K537 WeakPolarHBondContact OD1-CB 3.32Å; N514-K537 VanDerWaalsContact OD1-CD 3.29Å; N514-K537 WeakPolarHBondContact OD1-CD 3.4Å; N515-K537 PolarHBondContact N-O 2.95Å; K537-N561 PolarHBondContact N-O 3.48Å; K537-E562 HydrophobicContact CB-CB 3.9Å; K537-E562 HydrophobicContact CG-CB 4.14Å; K537-E562 IonicContact NZ-OE2 3.39Å; K537-E562 PolarHBondContact NZ-OE2 3.24Å
538	N	95	Very high	87.5	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-108.7	-161.6	164.7	-83.5	-85.6	0	0	0	108.4	L512 N515 L517 L535 R536 F540 N563 P564	L512-N538 PolarHBondContact O-ND2 2.97Å; N515-N538 WeakPolarHBondContact CA-OD1 3.35Å; N515-N538 WeakPolarHBondContact CB-OD1 3.31Å; N515-N538 PolarHBondContact O-OD1 3.13Å; L517-N538 HydrophobicContact CB-CB 4.28Å; L517-N538 VanDerWaalsContact CB-OD1 3.3Å; L517-N538 WeakPolarHBondContact CB-OD1 3.25Å; L517-N538 WeakPolarHBondContact CG-OD1 3.12Å; L517-N538 PolarHBondContact N-OD1 3Å; L517-N538 VanDerWaalsContact N-OD1 3.11Å; L535-N538 PolarHBondContact O-ND2 3.29Å; R536-N538 PolarHBondContact O-N 2.96Å; R536-N538 PolarHBondContact O-ND2 3.31Å; N538-F540 HydrophobicContact CB-CD2 3.67Å; N538-F540 HydrophobicContact CB-CE2 3.56Å; N538-F540 HydrophobicContact CB-CZ 4.48Å; N538-N563 WeakPolarHBondContact CA-OD1 3.28Å; N538-N563 WeakPolarHBondContact CB-OD1 3.23Å; N538-N563 PolarHBondContact N-OD1 3.31Å; N538-N563 VanDerWaalsContact N-OD1 3.1Å; N538-N563 PolarHBondContact O-OD1 3.48Å; N538-P564 WeakPolarHBondContact O-CD 3.41Å
539	Y	95	Very high	87.4	Confident	124 Å²	124	43.2 Å²	43.2	49%	0.486	22%	0.218	S	C	.	.			trans	-121.1	32.5	-176.8	-65.6	-98.7	0	0	0	111.5	L516 L517 R518 L541	L516-Y539 HydrophobicContact CD2-CD2 4.34Å; L516-Y539 HydrophobicContact CD2-CE2 3.7Å; L517-Y539 CarbonylContact O-C 3.39Å; L517-Y539 VanDerWaalsContact O-C 3.24Å; L517-Y539 VanDerWaalsContact O-CA 3.26Å; L517-Y539 WeakPolarHBondContact O-CA 3.47Å; L517-Y539 WeakPolarHBondContact O-CB 3.31Å; L517-Y539 PolarHBondContact O-N 3.4Å; R518-Y539 WeakPolarHBondContact CA-O 3.27Å; Y539-L541 PolarHBondContact O-N 2.79Å
540	F	93.5	Very high	87.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.			trans	-67	124.1	176.6	-65.2	-66.4	0	0	0	111.1	L517 R518 L520 L535 N538 L543 N563 P564 W565	L517-F540 HydrophobicContact CB-CE1 3.91Å; L517-F540 HydrophobicContact CB-CE2 4.05Å; L517-F540 HydrophobicContact CB-CZ 3.45Å; L517-F540 VanDerWaalsContact CB-CZ 3.45Å; L517-F540 HydrophobicContact CD1-CE2 4.49Å; L517-F540 HydrophobicContact CD1-CZ 3.93Å; L517-F540 HydrophobicContact CG-CZ 4.33Å; L517-F540 PolarHBondContact O-N 3.5Å; R518-F540 VanDerWaalsContact C-CD1 3.49Å; R518-F540 WeakPolarHBondContact O-CD1 3.46Å; L520-F540 HydrophobicContact CD2-CE1 4.18Å; L520-F540 HydrophobicContact CD2-CZ 4.08Å; L520-F540 HydrophobicContact CG-CE1 3.9Å; L520-F540 HydrophobicContact CG-CZ 4.12Å; L535-F540 HydrophobicContact CB-CE2 3.98Å; L535-F540 HydrophobicContact CD1-CE2 4.32Å; L535-F540 HydrophobicContact CD2-CE2 3.94Å; L535-F540 HydrophobicContact CD2-CZ 4.1Å; L535-F540 HydrophobicContact CG-CE2 4.3Å; N538-F540 HydrophobicContact CB-CD2 3.67Å; N538-F540 HydrophobicContact CB-CE2 3.56Å; N538-F540 HydrophobicContact CB-CZ 4.48Å; F540-L543 HydrophobicContact CD1-CD2 3.52Å; F540-L543 HydrophobicContact CD1-CG 4.29Å; F540-L543 HydrophobicContact CE1-CD2 3.68Å; F540-L543 HydrophobicContact CG-CD2 4.12Å; F540-L543 HydrophobicContact CG-CG 4.45Å; F540-L543 HydrophobicContact CZ-CD2 4.38Å; F540-N563 HydrophobicContact CB-CB 4.42Å; F540-N563 VanDerWaalsContact CD2-OD1 3.31Å; F540-N563 WeakPolarHBondContact CD2-OD1 3.43Å; F540-N563 PolarHBondContact N-OD1 2.98Å; F540-P564 CarbonylContact O-C 3.53Å; F540-P564 WeakPolarHBondContact O-CD 3.41Å; F540-W565 HydrophobicContact CB-CH2 3.75Å; F540-W565 HydrophobicContact CB-CZ2 4.36Å; F540-W565 HydrophobicContact CB-CZ3 3.85Å; F540-W565 HydrophobicContact CG-CH2 4.41Å
541	L	90.4	Very high	87	Confident	85 Å²	85	49.3 Å²	49.3	45%	0.445	24%	0.24	S	C	.	.	S	Bend	trans	-86.9	-47.3	168.9	-58.2	179.3	0	0	0	109.9	Y539 P564 W565 D566	Y539-L541 PolarHBondContact O-N 2.79Å; L541-P564 HydrophobicContact CD2-CG 4.32Å; L541-P564 WeakPolarHBondContact CD2-O 3.34Å; L541-W565 CarbonylContact O-C 3.58Å; L541-W565 WeakPolarHBondContact O-CA 3.36Å; L541-D566 HydrophobicContact CB-CB 4.11Å; L541-D566 PolarHBondContact O-N 3.4Å
542	Y	89.3	Confident	87.1	Confident	108 Å²	108	48.4 Å²	48.4	42%	0.424	23%	0.231	S	C	.	.			trans	-144.2	163.9	173	64.9	-84.9	0	0	0	109.2
543	L	89.4	Confident	87	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	25%	0.247	C	C	.	.			trans	-122.7	126.6	170	-76.7	176.9	0	0	0	110	L520 L535 F540 V545 L549 L560 W565 F574	L520-L543 HydrophobicContact CB-CD2 4.45Å; L520-L543 HydrophobicContact CD1-CD2 3.92Å; L520-L543 HydrophobicContact CG-CD2 3.95Å; L535-L543 HydrophobicContact CD1-CD1 4.18Å; F540-L543 HydrophobicContact CD1-CD2 3.52Å; F540-L543 HydrophobicContact CD1-CG 4.29Å; F540-L543 HydrophobicContact CE1-CD2 3.68Å; F540-L543 HydrophobicContact CG-CD2 4.12Å; F540-L543 HydrophobicContact CG-CG 4.45Å; F540-L543 HydrophobicContact CZ-CD2 4.38Å; L543-V545 PolarHBondContact O-N 2.91Å; L543-L549 HydrophobicContact CB-CD1 3.91Å; L543-L549 HydrophobicContact CD1-CD2 4.45Å; L543-L560 HydrophobicContact CD1-CD2 4.03Å; L543-W565 HydrophobicContact CB-CZ3 4.46Å; L543-W565 HydrophobicContact CD1-CH2 3.74Å; L543-W565 HydrophobicContact CD1-CZ3 4.31Å; L543-W565 HydrophobicContact CG-CH2 3.86Å; L543-W565 HydrophobicContact CG-CZ3 3.96Å; L543-F574 HydrophobicContact CB-CD2 3.9Å; L543-F574 HydrophobicContact CB-CE2 3.84Å; L543-F574 HydrophobicContact CD1-CE2 3.91Å; L543-F574 HydrophobicContact CD1-CZ 4.26Å; L543-F574 HydrophobicContact CG-CE2 4.36Å
544	P	87.4	Confident	86.6	Confident	36 Å²	36	51 Å²	51	23%	0.234	26%	0.258	C	S	.	.			trans	-67.4	132.9	175.8	28.3	-33.7	0	0	0	110.2	V548	P544-V548 HydrophobicContact CG-CB 4.48Å; P544-V548 HydrophobicContact CG-CG2 3.9Å; P544-V548 WeakPolarHBondContact O-CB 3.11Å
545	V	85	Confident	86.4	Confident	30 Å²	30	51 Å²	51	18%	0.182	26%	0.258	C	S	.	.	I	π-helix	trans	-79	-52.3	176.3	177	0	0	0	0	111.1	L543 G547 V548 L549 E550 P573 F574 W577	L543-V545 PolarHBondContact O-N 2.91Å; V545-G547 PolarHBondContact O-N 3.49Å; V545-V548 PolarHBondContact O-N 3.44Å; V545-L549 HydrophobicContact CG1-CB 4.43Å; V545-L549 HydrophobicContact CG2-CD1 4.12Å; V545-L549 PolarHBondContact O-N 3.28Å; V545-E550 PolarHBondContact O-N 3.45Å; V545-E550 VanDerWaalsContact O-N 3.07Å; V545-P573 HydrophobicContact CB-CB 4.43Å; V545-P573 VanDerWaalsContact CG2-C 3.49Å; V545-P573 HydrophobicContact CG2-CB 4.05Å; V545-P573 WeakPolarHBondContact CG2-O 3.48Å; V545-F574 HydrophobicContact CG2-CB 4.49Å; V545-W577 HydrophobicContact CG1-CB 4.1Å; V545-W577 HydrophobicContact CG1-CG 4.11Å; V545-W577 HydrophobicContact CG2-CB 3.65Å; V545-W577 HydrophobicContact CG2-CG 4.15Å
546	A	84	Confident	85.6	Confident	70 Å²	70	55.2 Å²	55.2	58%	0.579	28%	0.283	S	S	*	.	I	π-helix	trans	-56.7	127.1	179.3	0	0	0	0	0	110.9	V548	A546-V548 PolarHBondContact O-N 2.92Å; A546-V548 VanDerWaalsContact O-N 3.1Å
547	G	80.1	Confident	85	Confident	14 Å²	14	52.2 Å²	52.2	14%	0.144	27%	0.274	C	S	.	.	I	π-helix	trans	70.6	-6.5	179.6	0	0	0	0	0	116.4	D523 V545 E550 H551	D523-G547 WeakPolarHBondContact CA-O 3.4Å; D523-G547 PolarHBondContact N-O 2.89Å; V545-G547 PolarHBondContact O-N 3.49Å; G547-E550 PolarHBondContact N-OE2 3.27Å; G547-H551 PolarHBondContact O-CE1 3.5Å; G547-H551 PolarHBondContact O-ND1 2.94Å
548	V	85.8	Confident	84.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-122.1	-66.9	177.3	-172.1	0	0	0	0	112	L520 P521 F525 P544 V545 A546 H551	L520-V548 HydrophobicContact CB-CG1 3.97Å; L520-V548 HydrophobicContact CD1-CG1 4Å; P521-V548 WeakPolarHBondContact O-CG2 3.3Å; F525-V548 HydrophobicContact CD2-CG1 3.79Å; F525-V548 HydrophobicContact CE2-CG1 3.79Å; P544-V548 HydrophobicContact CG-CB 4.48Å; P544-V548 HydrophobicContact CG-CG2 3.9Å; P544-V548 WeakPolarHBondContact O-CB 3.11Å; V545-V548 PolarHBondContact O-N 3.44Å; A546-V548 PolarHBondContact O-N 2.92Å; A546-V548 VanDerWaalsContact O-N 3.1Å; V548-H551 PolarHBondContact O-N 2.99Å
549	L	84.3	Confident	84.3	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.257	C	S	.	.	I	π-helix	trans	-81.2	-23.9	-175.5	-56.6	174.3	0	0	0	112.5	L543 V545 H551 L552 F574 W577	L543-L549 HydrophobicContact CB-CD1 3.91Å; L543-L549 HydrophobicContact CD1-CD2 4.45Å; V545-L549 HydrophobicContact CG1-CB 4.43Å; V545-L549 HydrophobicContact CG2-CD1 4.12Å; V545-L549 PolarHBondContact O-N 3.28Å; L549-H551 PolarHBondContact O-N 2.9Å; L549-L552 HydrophobicContact CD2-CD1 3.68Å; L549-L552 WeakPolarHBondContact O-CB 3.09Å; L549-L552 PolarHBondContact O-N 3.3Å; L549-F574 HydrophobicContact CD1-CD2 3.54Å; L549-F574 HydrophobicContact CD1-CE2 3.81Å; L549-W577 HydrophobicContact CB-CD2 3.93Å; L549-W577 HydrophobicContact CB-CE3 4.43Å; L549-W577 HydrophobicContact CB-CG 4.33Å; L549-W577 HydrophobicContact CB-CH2 4.35Å; L549-W577 HydrophobicContact CB-CZ2 3.84Å; L549-W577 HydrophobicContact CD1-CD2 4.08Å; L549-W577 HydrophobicContact CD1-CE3 3.86Å; L549-W577 HydrophobicContact CD1-CZ3 4.09Å; L549-W577 HydrophobicContact CD2-CH2 4.13Å; L549-W577 HydrophobicContact CD2-CZ2 4.35Å; L549-W577 HydrophobicContact CD2-CZ3 4.4Å; L549-W577 PolarHBondContact O-NE1 2.99Å
550	E	82.3	Confident	84.1	Confident	132 Å²	132	42.3 Å²	42.3	62%	0.617	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.5	168.5	-175.5	177.5	-170.4	0	0	112.7	V545 G547 L552	V545-E550 PolarHBondContact O-N 3.45Å; V545-E550 VanDerWaalsContact O-N 3.07Å; G547-E550 PolarHBondContact N-OE2 3.27Å; E550-L552 VanDerWaalsContact C-N 3.27Å; E550-L552 PolarHBondContact O-N 2.93Å
551	H	81.6	Confident	83.8	Confident	61 Å²	61	43.7 Å²	43.7	28%	0.282	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.5	177.2	-71.1	121.6	0	0	0	113.8	D523 F525 G547 V548 L549 N553	D523-H551 IonicContact OD1-CE1 2.83Å; D523-H551 PolarHBondContact OD1-CE1 3.32Å; F525-H551 HydrophobicContact CB-CB 4.46Å; G547-H551 PolarHBondContact O-CE1 3.5Å; G547-H551 PolarHBondContact O-ND1 2.94Å; V548-H551 PolarHBondContact O-N 2.99Å; L549-H551 PolarHBondContact O-N 2.9Å; H551-N553 PolarHBondContact O-N 3.44Å
552	L	81.6	Confident	83.7	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	24%	0.241	C	C	.	.			trans	-85.1	39.7	-173.6	-61	-179.3	0	0	0	113.7	F525 L530 L533 L549 E550 A554 I555 I558 W577	F525-L552 HydrophobicContact CB-CD2 4.1Å; F525-L552 HydrophobicContact CD2-CD1 4.32Å; F525-L552 HydrophobicContact CD2-CD2 3.76Å; F525-L552 HydrophobicContact CD2-CG 4.19Å; F525-L552 HydrophobicContact CE2-CD1 4.37Å; F525-L552 HydrophobicContact CE2-CD2 4.38Å; F525-L552 HydrophobicContact CG-CD2 3.97Å; L530-L552 HydrophobicContact CB-CD2 4.21Å; L530-L552 HydrophobicContact CD1-CD2 4.08Å; L533-L552 HydrophobicContact CD2-CD1 3.87Å; L549-L552 HydrophobicContact CD2-CD1 3.68Å; L549-L552 WeakPolarHBondContact O-CB 3.09Å; L549-L552 PolarHBondContact O-N 3.3Å; E550-L552 VanDerWaalsContact C-N 3.27Å; E550-L552 PolarHBondContact O-N 2.93Å; L552-A554 PolarHBondContact O-N 3.37Å; L552-A554 VanDerWaalsContact O-N 3.08Å; L552-I555 HydrophobicContact CB-CB 4.3Å; L552-I555 WeakPolarHBondContact O-CB 3.17Å; L552-I555 VanDerWaalsContact O-CG2 3.3Å; L552-I555 WeakPolarHBondContact O-CG2 3.47Å; L552-I555 PolarHBondContact O-N 3.25Å; L552-I555 VanDerWaalsContact O-N 3.15Å; L552-I558 HydrophobicContact CD1-CD1 4.45Å; L552-W577 HydrophobicContact CB-CZ2 4.43Å; L552-W577 HydrophobicContact CD1-CZ2 4.38Å
553	N	78.9	Confident	83.8	Confident	141 Å²	141	39.5 Å²	39.5	75%	0.754	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.2	-176.1	66.4	22.4	0	0	0	115.5	H551	H551-N553 PolarHBondContact O-N 3.44Å
554	A	80.6	Confident	84	Confident	31 Å²	31	40.9 Å²	40.9	26%	0.256	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	0.6	179.9	0	0	0	0	0	113.5	L530 L552 V556	L530-A554 CarbonylContact O-C 3.1Å; L552-A554 PolarHBondContact O-N 3.37Å; L552-A554 VanDerWaalsContact O-N 3.08Å; A554-V556 PolarHBondContact O-N 3.01Å
555	I	81.6	Confident	84.3	Confident	22 Å²	22	39.2 Å²	39.2	11%	0.113	22%	0.222	C	C	.	.			trans	-63.9	129.3	-170.7	-157.9	70.4	0	0	0	111.5	L530 L533 L552 Q557 I558	L530-I555 WeakPolarHBondContact O-CA 3.42Å; L530-I555 PolarHBondContact O-N 2.96Å; L533-I555 HydrophobicContact CB-CD1 3.92Å; L552-I555 HydrophobicContact CB-CB 4.3Å; L552-I555 WeakPolarHBondContact O-CB 3.17Å; L552-I555 VanDerWaalsContact O-CG2 3.3Å; L552-I555 WeakPolarHBondContact O-CG2 3.47Å; L552-I555 PolarHBondContact O-N 3.25Å; L552-I555 VanDerWaalsContact O-N 3.15Å; I555-Q557 WeakPolarHBondContact CD1-O 3.28Å; I555-I558 HydrophobicContact CD1-CB 4.5Å; I555-I558 HydrophobicContact CG1-CB 4.15Å
556	V	74.8	Confident	84.6	Confident	87 Å²	87	39.6 Å²	39.6	53%	0.527	22%	0.223	S	C	.	.	S	Bend	trans	-104.6	-36	173.4	-179.7	0	0	0	0	109.7	A531 A554 S585	A531-V556 HydrophobicContact CB-CG2 4.21Å; A531-V556 WeakPolarHBondContact O-CA 3.29Å; A531-V556 WeakPolarHBondContact O-CB 3.36Å; A531-V556 PolarHBondContact O-N 2.98Å; A554-V556 PolarHBondContact O-N 3.01Å; V556-S585 WeakPolarHBondContact O-CA 3.45Å; V556-S585 WeakPolarHBondContact O-CB 3.24Å; V556-S585 PolarHBondContact O-OG 3.17Å
557	Q	77.4	Confident	84.9	Confident	44 Å²	44	36.3 Å²	36.3	21%	0.206	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	130.2	-175.6	-164	177.1	5.8	0	0	110.8	A531 R532 L533 I555 S585 V587	A531-Q557 PolarHBondContact O-N 3.43Å; R532-Q557 VanDerWaalsContact CA-O 3.3Å; R532-Q557 WeakPolarHBondContact CA-O 3.32Å; R532-Q557 HydrophobicContact CG-CB 4.09Å; L533-Q557 PolarHBondContact N-O 2.88Å; I555-Q557 WeakPolarHBondContact CD1-O 3.28Å; Q557-S585 CarbonylContact C-O 3.55Å; Q557-S585 WeakPolarHBondContact CA-O 3.44Å; Q557-V587 HydrophobicContact CG-CG2 3.39Å
558	I	85.2	Confident	85.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.4	174.5	-168.8	174.4	0	0	0	109.4	L533 L552 I555 L560 W577 I581 S585 V586 V587	L533-I558 HydrophobicContact CB-CG1 4.23Å; L533-I558 HydrophobicContact CD2-CD1 4.02Å; L533-I558 HydrophobicContact CD2-CG1 4.34Å; L533-I558 HydrophobicContact CG-CG1 4.29Å; L533-I558 VanDerWaalsContact O-CA 3.25Å; L533-I558 WeakPolarHBondContact O-CA 3.28Å; L552-I558 HydrophobicContact CD1-CD1 4.45Å; I555-I558 HydrophobicContact CD1-CB 4.5Å; I555-I558 HydrophobicContact CG1-CB 4.15Å; I558-L560 HydrophobicContact CD1-CD1 4.32Å; I558-L560 HydrophobicContact CD1-CD2 4.08Å; I558-L560 HydrophobicContact CD1-CG 4.28Å; I558-L560 HydrophobicContact CG1-CD1 4.47Å; I558-L560 HydrophobicContact CG1-CD2 4.23Å; I558-L560 HydrophobicContact CG1-CG 4.1Å; I558-L560 HydrophobicContact CG2-CD1 4.39Å; I558-W577 HydrophobicContact CD1-CH2 3.98Å; I558-W577 HydrophobicContact CD1-CZ3 4.43Å; I558-I581 HydrophobicContact CG2-CD1 4.09Å; I558-S585 PolarHBondContact N-O 3.5Å; I558-S585 VanDerWaalsContact O-O 3.07Å; I558-V586 HydrophobicContact CG2-CG2 4.03Å; I558-V586 WeakPolarHBondContact O-CA 3.24Å; I558-V587 PolarHBondContact O-N 3.14Å
559	D	83	Confident	85.3	Confident	15 Å²	15	40.9 Å²	40.9	8%	0.08	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120	177.5	179.8	0.2	0	0	0	109.3	L533 N534 L535 R536 N561 V587	L533-D559 PolarHBondContact O-N 3.32Å; N534-D559 HydrophobicContact CB-CB 4.36Å; N534-D559 PolarHBondContact ND2-OD2 3.18Å; N534-D559 WeakPolarHBondContact OD1-CB 3.35Å; N534-D559 PolarHBondContact OD1-OD2 2.68Å; L535-D559 CarbonylContact C-O 3.18Å; L535-D559 WeakPolarHBondContact CA-O 3.44Å; L535-D559 PolarHBondContact N-O 3.44Å; R536-D559 WeakPolarHBondContact CB-OD2 3.37Å; R536-D559 VanDerWaalsContact CD-OD2 3.29Å; R536-D559 WeakPolarHBondContact CD-OD2 3.25Å; R536-D559 PolarHBondContact N-O 3.38Å; D559-N561 WeakPolarHBondContact OD1-CB 3.32Å; D559-N561 PolarHBondContact OD1-N 3.34Å; D559-N561 VanDerWaalsContact OD1-N 3.14Å; D559-N561 PolarHBondContact OD1-ND2 2.93Å; D559-V587 HydrophobicContact CB-CB 4.16Å; D559-V587 HydrophobicContact CB-CG2 4.4Å
560	L	89.4	Confident	85.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.			trans	-120.6	4.9	-173.3	-67.9	168.4	0	0	0	112.4	L535 L543 I558 N563 W565 F574 I578 V586 V590	L535-L560 HydrophobicContact CB-CD2 4.36Å; L535-L560 HydrophobicContact CD1-CD2 4.15Å; L543-L560 HydrophobicContact CD1-CD2 4.03Å; I558-L560 HydrophobicContact CD1-CD1 4.32Å; I558-L560 HydrophobicContact CD1-CD2 4.08Å; I558-L560 HydrophobicContact CD1-CG 4.28Å; I558-L560 HydrophobicContact CG1-CD1 4.47Å; I558-L560 HydrophobicContact CG1-CD2 4.23Å; I558-L560 HydrophobicContact CG1-CG 4.1Å; I558-L560 HydrophobicContact CG2-CD1 4.39Å; L560-N563 PolarHBondContact O-ND2 3.46Å; L560-W565 HydrophobicContact CB-CZ2 4.02Å; L560-W565 HydrophobicContact CD2-CH2 4.13Å; L560-W565 HydrophobicContact CD2-CZ2 3.96Å; L560-W565 HydrophobicContact CG-CZ2 4.49Å; L560-W565 PolarHBondContact O-NE1 2.89Å; L560-F574 HydrophobicContact CD1-CE2 4.41Å; L560-F574 HydrophobicContact CD1-CZ 3.97Å; L560-I578 HydrophobicContact CD1-CD1 4.14Å; L560-V586 HydrophobicContact CD1-CG1 4.28Å; L560-V590 HydrophobicContact CB-CG2 4.24Å; L560-V590 HydrophobicContact CD1-CG2 4.47Å
561	N	87.9	Confident	85.6	Confident	29 Å²	29	40.1 Å²	40.1	16%	0.155	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	162.6	-172.9	-68.5	-76.8	0	0	0	113.1	R536 K537 D559 N563 V587 G588 D589	R536-N561 CarbonylContact C-O 3.56Å; R536-N561 VanDerWaalsContact CA-O 3.26Å; R536-N561 WeakPolarHBondContact CA-O 3.48Å; R536-N561 HydrophobicContact CG-CB 4.02Å; K537-N561 PolarHBondContact N-O 3.48Å; D559-N561 WeakPolarHBondContact OD1-CB 3.32Å; D559-N561 PolarHBondContact OD1-N 3.34Å; D559-N561 VanDerWaalsContact OD1-N 3.14Å; D559-N561 PolarHBondContact OD1-ND2 2.93Å; N561-N563 PolarHBondContact O-N 2.88Å; N561-N563 PolarHBondContact O-ND2 3.42Å; N561-V587 PolarHBondContact ND2-O 3.42Å; N561-G588 WeakPolarHBondContact OD1-CA 3.4Å; N561-D589 PolarHBondContact OD1-N 3.17Å; N561-D589 PolarHBondContact OD1-O 3.31Å
562	E	87.2	Confident	85.9	Confident	95 Å²	95	38 Å²	38	44%	0.444	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	22	174.7	-64.1	178.2	-120.3	0	0	115.1	R536 K537	R536-E562 HydrophobicContact CG-CB 4.43Å; R536-E562 IonicContact CZ-OE1 2.71Å; R536-E562 IonicContact NE-OE1 2.66Å; R536-E562 PolarHBondContact NE-OE1 2.92Å; R536-E562 IonicContact NH2-OE1 3.52Å; R536-E562 PolarHBondContact NH2-OE1 3.31Å; K537-E562 HydrophobicContact CB-CB 3.9Å; K537-E562 HydrophobicContact CG-CB 4.14Å; K537-E562 IonicContact NZ-OE2 3.39Å; K537-E562 PolarHBondContact NZ-OE2 3.24Å
563	N	93.2	Very high	86.2	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.053	23%	0.233	C	C	.	.			trans	-96.8	145.9	173	-79.3	-74.5	0	0	0	111.5	L535 N538 F540 L560 N561 W565	L535-N563 PolarHBondContact O-ND2 3.49Å; N538-N563 WeakPolarHBondContact CA-OD1 3.28Å; N538-N563 WeakPolarHBondContact CB-OD1 3.23Å; N538-N563 PolarHBondContact N-OD1 3.31Å; N538-N563 VanDerWaalsContact N-OD1 3.1Å; N538-N563 PolarHBondContact O-OD1 3.48Å; F540-N563 HydrophobicContact CB-CB 4.42Å; F540-N563 VanDerWaalsContact CD2-OD1 3.31Å; F540-N563 WeakPolarHBondContact CD2-OD1 3.43Å; F540-N563 PolarHBondContact N-OD1 2.98Å; L560-N563 PolarHBondContact O-ND2 3.46Å; N561-N563 PolarHBondContact O-N 2.88Å; N561-N563 PolarHBondContact O-ND2 3.42Å; N563-W565 VanDerWaalsContact C-N 3.29Å; N563-W565 HydrophobicContact CB-CD2 4.31Å; N563-W565 HydrophobicContact CB-CZ2 3.74Å; N563-W565 PolarHBondContact O-N 3.12Å
564	P	92.9	Very high	86.7	Confident	35 Å²	35	34.3 Å²	34.3	23%	0.227	20%	0.198	C	C	.	.			trans	-84	62.5	-177	36.2	-37.6	0	0	0	112.5	N538 F540 L541 D566 R593	N538-P564 WeakPolarHBondContact O-CD 3.41Å; F540-P564 CarbonylContact O-C 3.53Å; F540-P564 WeakPolarHBondContact O-CD 3.41Å; L541-P564 HydrophobicContact CD2-CG 4.32Å; L541-P564 WeakPolarHBondContact CD2-O 3.34Å; P564-D566 PolarHBondContact O-N 2.9Å; P564-R593 HydrophobicContact CB-CB 4.05Å; P564-R593 HydrophobicContact CB-CG 4.02Å
565	W	92.9	Very high	87.1	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.1	-174.5	-60.6	104.9	0	0	0	113.1	F540 L541 L543 L560 N563 L571 F574 V590 R593 T594	F540-W565 HydrophobicContact CB-CH2 3.75Å; F540-W565 HydrophobicContact CB-CZ2 4.36Å; F540-W565 HydrophobicContact CB-CZ3 3.85Å; F540-W565 HydrophobicContact CG-CH2 4.41Å; L541-W565 CarbonylContact O-C 3.58Å; L541-W565 WeakPolarHBondContact O-CA 3.36Å; L543-W565 HydrophobicContact CB-CZ3 4.46Å; L543-W565 HydrophobicContact CD1-CH2 3.74Å; L543-W565 HydrophobicContact CD1-CZ3 4.31Å; L543-W565 HydrophobicContact CG-CH2 3.86Å; L543-W565 HydrophobicContact CG-CZ3 3.96Å; L560-W565 HydrophobicContact CB-CZ2 4.02Å; L560-W565 HydrophobicContact CD2-CH2 4.13Å; L560-W565 HydrophobicContact CD2-CZ2 3.96Å; L560-W565 HydrophobicContact CG-CZ2 4.49Å; L560-W565 PolarHBondContact O-NE1 2.89Å; N563-W565 VanDerWaalsContact C-N 3.29Å; N563-W565 HydrophobicContact CB-CD2 4.31Å; N563-W565 HydrophobicContact CB-CZ2 3.74Å; N563-W565 PolarHBondContact O-N 3.12Å; W565-L571 HydrophobicContact CE3-CD1 4.23Å; W565-F574 HydrophobicContact CD2-CE1 4.2Å; W565-F574 HydrophobicContact CE3-CD1 4.45Å; W565-F574 AromaticContact CE3-CE1 3.73Å; W565-F574 HydrophobicContact CE3-CE1 3.73Å; W565-F574 HydrophobicContact CE3-CZ 4.22Å; W565-F574 AromaticContact CH2-CE1 3.91Å; W565-F574 HydrophobicContact CH2-CE1 3.91Å; W565-F574 HydrophobicContact CH2-CE2 4.41Å; W565-F574 AromaticContact CH2-CZ 3.53Å; W565-F574 HydrophobicContact CH2-CZ 3.53Å; W565-F574 HydrophobicContact CZ2-CE1 4.34Å; W565-F574 HydrophobicContact CZ2-CZ 4.05Å; W565-F574 HydrophobicContact CZ3-CD1 4.37Å; W565-F574 AromaticContact CZ3-CE1 3.56Å; W565-F574 HydrophobicContact CZ3-CE1 3.56Å; W565-F574 HydrophobicContact CZ3-CE2 4.47Å; W565-F574 AromaticContact CZ3-CZ 3.6Å; W565-F574 HydrophobicContact CZ3-CZ 3.6Å; W565-V590 HydrophobicContact CD2-CG1 4.22Å; W565-V590 HydrophobicContact CG-CG1 4.12Å; W565-R593 PolarHBondContact O-N 3.22Å; W565-T594 PolarHBondContact O-N 2.85Å
566	D	91.1	Very high	87.3	Confident	37 Å²	37	36.8 Å²	36.8	20%	0.198	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	106.7	173.2	-174.2	49.4	0	0	0	109.8	L541 P564 T568 T594	L541-D566 HydrophobicContact CB-CB 4.11Å; L541-D566 PolarHBondContact O-N 3.4Å; P564-D566 PolarHBondContact O-N 2.9Å; D566-T568 PolarHBondContact O-N 3.37Å; D566-T568 VanDerWaalsContact O-N 3.07Å; D566-T568 WeakPolarHBondContact OD2-CB 3.43Å; D566-T568 WeakPolarHBondContact OD2-CG2 3.33Å; D566-T568 PolarHBondContact OD2-OG1 2.95Å; D566-T594 WeakPolarHBondContact CB-OG1 3.18Å; D566-T594 WeakPolarHBondContact OD1-CB 3.38Å; D566-T594 PolarHBondContact OD1-OG1 3.07Å
567	C	90.3	Very high	88	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.014	18%	0.183	C	C	.	.			trans	-89.7	60	-175.5	-64.1	0	0	0	0	110.8	L571 C592 T594 P595 L598 V603 L611	C567-L571 HydrophobicContact CB-CD2 4.26Å; C567-L571 VanDerWaalsContact SG-CD2 3.58Å; C567-C592 HydrophobicContact CB-CB 3.82Å; C567-C592 WeakPolarHBondContact CB-SG 3.4Å; C567-C592 VanDerWaalsContact SG-CA 3.53Å; C567-C592 WeakPolarHBondContact SG-CB 3.49Å; C567-C592 CovalentContact SG-SG 2.02Å; C567-C592 PolarHBondContact SG-SG 2.8Å; C567-T594 WeakPolarHBondContact CB-O 3.32Å; C567-T594 PolarHBondContact N-O 3.34Å; C567-P595 VanDerWaalsContact O-CD 3.31Å; C567-P595 WeakPolarHBondContact O-CD 3.36Å; C567-L598 HydrophobicContact CB-CB 4.46Å; C567-L598 HydrophobicContact CB-CD1 4.06Å; C567-V603 VanDerWaalsContact SG-CG2 3.59Å; C567-L611 HydrophobicContact CB-CD2 3.88Å; C567-L611 WeakPolarHBondContact O-CD2 3.42Å
568	T	88.6	Confident	88.4	Confident	46 Å²	46	31.9 Å²	31.9	28%	0.282	17%	0.174	S	C	.	.	S	Bend	trans	-103.5	-178.3	170.5	54.2	0	0	0	0	110	D566 D570 L571	D566-T568 PolarHBondContact O-N 3.37Å; D566-T568 VanDerWaalsContact O-N 3.07Å; D566-T568 WeakPolarHBondContact OD2-CB 3.43Å; D566-T568 WeakPolarHBondContact OD2-CG2 3.33Å; D566-T568 PolarHBondContact OD2-OG1 2.95Å; T568-D570 PolarHBondContact O-N 3.31Å; T568-L571 WeakPolarHBondContact O-CB 3.49Å; T568-L571 PolarHBondContact O-N 2.99Å
569	C	86.6	Confident	88.3	Confident	63 Å²	63	36.8 Å²	36.8	43%	0.426	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-63.3	-27.2	-174.5	-168.4	0	0	0	0	113.3	L571 V572 L611 C612	C569-L571 PolarHBondContact O-N 2.76Å; C569-L571 VanDerWaalsContact O-N 3.15Å; C569-V572 WeakPolarHBondContact O-CB 3.47Å; C569-V572 PolarHBondContact O-N 3.1Å; C569-V572 VanDerWaalsContact O-N 3.1Å; C569-L611 WeakPolarHBondContact CA-O 3.29Å; C569-L611 PolarHBondContact N-O 3.38Å; C569-C612 WeakPolarHBondContact CA-SG 3.32Å; C569-C612 HydrophobicContact CB-CB 4.05Å; C569-C612 WeakPolarHBondContact CB-SG 3.26Å; C569-C612 WeakPolarHBondContact SG-CB 3.46Å; C569-C612 CovalentContact SG-SG 2.04Å; C569-C612 PolarHBondContact SG-SG 3.09Å
570	D	84.6	Confident	88.3	Confident	118 Å²	118	41.8 Å²	41.8	63%	0.631	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-61.6	-19.9	174.2	-70.1	-39.6	0	0	0	113.6	T568 V572	T568-D570 PolarHBondContact O-N 3.31Å; D570-V572 VanDerWaalsContact C-N 3.34Å
571	L	88.7	Confident	87.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-82.3	-8.7	178.2	-154.3	70.6	0	0	0	113.3	W565 C567 T568 C569 F574 K575 V603	W565-L571 HydrophobicContact CE3-CD1 4.23Å; C567-L571 HydrophobicContact CB-CD2 4.26Å; C567-L571 VanDerWaalsContact SG-CD2 3.58Å; T568-L571 WeakPolarHBondContact O-CB 3.49Å; T568-L571 PolarHBondContact O-N 2.99Å; C569-L571 PolarHBondContact O-N 2.76Å; C569-L571 VanDerWaalsContact O-N 3.15Å; L571-F574 HydrophobicContact CD1-CB 4.17Å; L571-F574 HydrophobicContact CD1-CD1 3.52Å; L571-F574 HydrophobicContact CD1-CE1 4.25Å; L571-F574 HydrophobicContact CD1-CG 4.21Å; L571-F574 HydrophobicContact CG-CB 4.4Å; L571-F574 HydrophobicContact CG-CD1 3.9Å; L571-F574 WeakPolarHBondContact O-CB 3.35Å; L571-F574 PolarHBondContact O-N 2.92Å; L571-F574 VanDerWaalsContact O-N 3.15Å; L571-K575 PolarHBondContact O-N 3.39Å; L571-V603 HydrophobicContact CD2-CG1 4.08Å; L571-V603 HydrophobicContact CD2-CG2 3.65Å
572	V	88.3	Confident	86.3	Confident	17 Å²	17	44 Å²	44	10%	0.103	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-45.7	-176.7	159.8	0	0	0	0	114.5	C569 D570 F574 K575 Q576 L608 L611 C612	C569-V572 WeakPolarHBondContact O-CB 3.47Å; C569-V572 PolarHBondContact O-N 3.1Å; C569-V572 VanDerWaalsContact O-N 3.1Å; D570-V572 VanDerWaalsContact C-N 3.34Å; V572-F574 VanDerWaalsContact C-N 3.28Å; V572-F574 PolarHBondContact O-N 2.64Å; V572-K575 PolarHBondContact O-N 2.97Å; V572-Q576 HydrophobicContact CG1-CG 4.47Å; V572-Q576 WeakPolarHBondContact O-CG 3.21Å; V572-Q576 PolarHBondContact O-N 3.36Å; V572-L608 HydrophobicContact CB-CD1 4.19Å; V572-L608 HydrophobicContact CG1-CD1 3.7Å; V572-L608 HydrophobicContact CG2-CD1 3.48Å; V572-L608 VanDerWaalsContact CG2-CD1 3.48Å; V572-L611 HydrophobicContact CG2-CB 4.11Å; V572-C612 WeakPolarHBondContact CG2-SG 3.25Å
573	P	87.7	Confident	84.8	Confident	66 Å²	66	40.7 Å²	40.7	43%	0.429	23%	0.231	S	C	.	.	H	α-helix	trans	-59.2	-41.5	175.4	-24.4	35.1	0	0	0	111.7	V545 Q576 W577	V545-P573 HydrophobicContact CB-CB 4.43Å; V545-P573 VanDerWaalsContact CG2-C 3.49Å; V545-P573 HydrophobicContact CG2-CB 4.05Å; V545-P573 WeakPolarHBondContact CG2-O 3.48Å; P573-Q576 PolarHBondContact O-N 2.92Å; P573-W577 WeakPolarHBondContact O-CB 3.32Å; P573-W577 PolarHBondContact O-N 3.38Å
574	F	89.3	Confident	82.6	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-64.3	-40.7	178.7	178.8	-117.1	0	0	0	112.3	L543 V545 L549 L560 W565 L571 V572 W577 I578 V590	L543-F574 HydrophobicContact CB-CD2 3.9Å; L543-F574 HydrophobicContact CB-CE2 3.84Å; L543-F574 HydrophobicContact CD1-CE2 3.91Å; L543-F574 HydrophobicContact CD1-CZ 4.26Å; L543-F574 HydrophobicContact CG-CE2 4.36Å; V545-F574 HydrophobicContact CG2-CB 4.49Å; L549-F574 HydrophobicContact CD1-CD2 3.54Å; L549-F574 HydrophobicContact CD1-CE2 3.81Å; L560-F574 HydrophobicContact CD1-CE2 4.41Å; L560-F574 HydrophobicContact CD1-CZ 3.97Å; W565-F574 HydrophobicContact CD2-CE1 4.2Å; W565-F574 HydrophobicContact CE3-CD1 4.45Å; W565-F574 AromaticContact CE3-CE1 3.73Å; W565-F574 HydrophobicContact CE3-CE1 3.73Å; W565-F574 HydrophobicContact CE3-CZ 4.22Å; W565-F574 AromaticContact CH2-CE1 3.91Å; W565-F574 HydrophobicContact CH2-CE1 3.91Å; W565-F574 HydrophobicContact CH2-CE2 4.41Å; W565-F574 AromaticContact CH2-CZ 3.53Å; W565-F574 HydrophobicContact CH2-CZ 3.53Å; W565-F574 HydrophobicContact CZ2-CE1 4.34Å; W565-F574 HydrophobicContact CZ2-CZ 4.05Å; W565-F574 HydrophobicContact CZ3-CD1 4.37Å; W565-F574 AromaticContact CZ3-CE1 3.56Å; W565-F574 HydrophobicContact CZ3-CE1 3.56Å; W565-F574 HydrophobicContact CZ3-CE2 4.47Å; W565-F574 AromaticContact CZ3-CZ 3.6Å; W565-F574 HydrophobicContact CZ3-CZ 3.6Å; L571-F574 HydrophobicContact CD1-CB 4.17Å; L571-F574 HydrophobicContact CD1-CD1 3.52Å; L571-F574 HydrophobicContact CD1-CE1 4.25Å; L571-F574 HydrophobicContact CD1-CG 4.21Å; L571-F574 HydrophobicContact CG-CB 4.4Å; L571-F574 HydrophobicContact CG-CD1 3.9Å; L571-F574 WeakPolarHBondContact O-CB 3.35Å; L571-F574 PolarHBondContact O-N 2.92Å; L571-F574 VanDerWaalsContact O-N 3.15Å; V572-F574 VanDerWaalsContact C-N 3.28Å; V572-F574 PolarHBondContact O-N 2.64Å; F574-W577 HydrophobicContact CD2-CE3 4.4Å; F574-W577 HydrophobicContact CE2-CE3 4.43Å; F574-W577 HydrophobicContact CE2-CZ3 4.48Å; F574-W577 PolarHBondContact O-N 3.04Å; F574-I578 HydrophobicContact CD1-CD1 4.03Å; F574-I578 HydrophobicContact CD2-CD1 4.43Å; F574-I578 HydrophobicContact CE1-CD1 3.55Å; F574-I578 HydrophobicContact CE2-CD1 3.96Å; F574-I578 HydrophobicContact CE2-CG1 4.31Å; F574-I578 HydrophobicContact CG-CD1 4.49Å; F574-I578 HydrophobicContact CZ-CD1 3.53Å; F574-I578 HydrophobicContact CZ-CG1 4.36Å; F574-I578 WeakPolarHBondContact O-CB 3.23Å; F574-I578 WeakPolarHBondContact O-CG1 3.42Å; F574-I578 PolarHBondContact O-N 3.41Å; F574-V590 HydrophobicContact CE1-CG1 4.24Å
575	K	87.6	Confident	81.4	Confident	11 Å²	11	40.6 Å²	40.6	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-50.9	172.5	-178.7	176.9	-169	-70.3	0	111.8	L571 V572 W577 I578 E579 V603 I606 L611	L571-K575 PolarHBondContact O-N 3.39Å; V572-K575 PolarHBondContact O-N 2.97Å; K575-W577 VanDerWaalsContact C-N 3.25Å; K575-W577 PolarHBondContact O-N 3.2Å; K575-I578 PolarHBondContact O-N 2.91Å; K575-I578 VanDerWaalsContact O-N 3.11Å; K575-E579 IonicContact NZ-OE1 3.39Å; K575-E579 PolarHBondContact NZ-OE1 3.04Å; K575-E579 WeakPolarHBondContact O-CG 3.44Å; K575-E579 PolarHBondContact O-N 3.15Å; K575-V603 HydrophobicContact CB-CG1 3.95Å; K575-V603 HydrophobicContact CD-CG1 4.36Å; K575-V603 WeakPolarHBondContact CE-O 3.27Å; K575-V603 HydrophobicContact CG-CG1 4.02Å; K575-I606 WeakPolarHBondContact CE-O 3.05Å; K575-I606 PolarHBondContact NZ-O 2.86Å; K575-L611 HydrophobicContact CD-CD1 3.34Å
576	Q	87.6	Confident	80.7	Confident	95 Å²	95	40.6 Å²	40.6	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-59.5	-36.6	176.9	-70.4	174.7	-6.2	0	0	111.9	V572 P573 E579 T580	V572-Q576 HydrophobicContact CG1-CG 4.47Å; V572-Q576 WeakPolarHBondContact O-CG 3.21Å; V572-Q576 PolarHBondContact O-N 3.36Å; P573-Q576 PolarHBondContact O-N 2.92Å; Q576-E579 PolarHBondContact O-N 2.91Å; Q576-T580 WeakPolarHBondContact O-CB 3.17Å; Q576-T580 PolarHBondContact O-N 3.27Å; Q576-T580 PolarHBondContact O-OG1 3.23Å
577	W	88	Confident	79.9	Confident	25 Å²	25	39.6 Å²	39.6	10%	0.095	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-44	173.7	-179.8	87.3	0	0	0	112.2	V545 L549 L552 I558 P573 F574 K575 E579 T580 I581	V545-W577 HydrophobicContact CG1-CB 4.1Å; V545-W577 HydrophobicContact CG1-CG 4.11Å; V545-W577 HydrophobicContact CG2-CB 3.65Å; V545-W577 HydrophobicContact CG2-CG 4.15Å; L549-W577 HydrophobicContact CB-CD2 3.93Å; L549-W577 HydrophobicContact CB-CE3 4.43Å; L549-W577 HydrophobicContact CB-CG 4.33Å; L549-W577 HydrophobicContact CB-CH2 4.35Å; L549-W577 HydrophobicContact CB-CZ2 3.84Å; L549-W577 HydrophobicContact CD1-CD2 4.08Å; L549-W577 HydrophobicContact CD1-CE3 3.86Å; L549-W577 HydrophobicContact CD1-CZ3 4.09Å; L549-W577 HydrophobicContact CD2-CH2 4.13Å; L549-W577 HydrophobicContact CD2-CZ2 4.35Å; L549-W577 HydrophobicContact CD2-CZ3 4.4Å; L549-W577 PolarHBondContact O-NE1 2.99Å; L552-W577 HydrophobicContact CB-CZ2 4.43Å; L552-W577 HydrophobicContact CD1-CZ2 4.38Å; I558-W577 HydrophobicContact CD1-CH2 3.98Å; I558-W577 HydrophobicContact CD1-CZ3 4.43Å; P573-W577 WeakPolarHBondContact O-CB 3.32Å; P573-W577 PolarHBondContact O-N 3.38Å; F574-W577 HydrophobicContact CD2-CE3 4.4Å; F574-W577 HydrophobicContact CE2-CE3 4.43Å; F574-W577 HydrophobicContact CE2-CZ3 4.48Å; F574-W577 PolarHBondContact O-N 3.04Å; K575-W577 VanDerWaalsContact C-N 3.25Å; K575-W577 PolarHBondContact O-N 3.2Å; W577-E579 VanDerWaalsContact C-N 3.25Å; W577-E579 PolarHBondContact O-N 3.38Å; W577-T580 WeakPolarHBondContact O-CB 3.47Å; W577-T580 PolarHBondContact O-N 3.05Å; W577-T580 VanDerWaalsContact O-N 3.07Å; W577-I581 HydrophobicContact CD2-CG2 4.4Å; W577-I581 HydrophobicContact CE3-CD1 4.16Å; W577-I581 HydrophobicContact CE3-CG1 4.37Å; W577-I581 HydrophobicContact CH2-CD1 3.57Å; W577-I581 HydrophobicContact CH2-CG1 4.42Å; W577-I581 HydrophobicContact CZ2-CD1 4.12Å; W577-I581 HydrophobicContact CZ2-CG2 3.95Å; W577-I581 HydrophobicContact CZ3-CD1 3.59Å; W577-I581 HydrophobicContact CZ3-CG1 4.28Å; W577-I581 WeakPolarHBondContact O-CG1 3.45Å; W577-I581 PolarHBondContact O-N 3.47Å
578	I	86.9	Confident	78.9	Confident	2 Å²	2	41 Å²	41	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-32.1	173.6	-76.9	-177.5	0	0	0	112.4	L560 F574 K575 V586 V590 R604	L560-I578 HydrophobicContact CD1-CD1 4.14Å; F574-I578 HydrophobicContact CD1-CD1 4.03Å; F574-I578 HydrophobicContact CD2-CD1 4.43Å; F574-I578 HydrophobicContact CE1-CD1 3.55Å; F574-I578 HydrophobicContact CE2-CD1 3.96Å; F574-I578 HydrophobicContact CE2-CG1 4.31Å; F574-I578 HydrophobicContact CG-CD1 4.49Å; F574-I578 HydrophobicContact CZ-CD1 3.53Å; F574-I578 HydrophobicContact CZ-CG1 4.36Å; F574-I578 WeakPolarHBondContact O-CB 3.23Å; F574-I578 WeakPolarHBondContact O-CG1 3.42Å; F574-I578 PolarHBondContact O-N 3.41Å; K575-I578 PolarHBondContact O-N 2.91Å; K575-I578 VanDerWaalsContact O-N 3.11Å; I578-V586 HydrophobicContact CG1-CG2 4.48Å; I578-V586 HydrophobicContact CG2-CG2 4.38Å; I578-V590 HydrophobicContact CD1-CG1 4.26Å; I578-V590 HydrophobicContact CD1-CG2 4.25Å; I578-R604 HydrophobicContact CG2-CG 3.51Å
579	E	83.5	Confident	78.6	Confident	103 Å²	103	43.1 Å²	43.1	48%	0.481	25%	0.25	S	S	.	.	H	α-helix	trans	-77	-27.7	173.9	-70.5	165.6	168.7	0	0	112.6	K575 Q576 W577	K575-E579 IonicContact NZ-OE1 3.39Å; K575-E579 PolarHBondContact NZ-OE1 3.04Å; K575-E579 WeakPolarHBondContact O-CG 3.44Å; K575-E579 PolarHBondContact O-N 3.15Å; Q576-E579 PolarHBondContact O-N 2.91Å; W577-E579 VanDerWaalsContact C-N 3.25Å; W577-E579 PolarHBondContact O-N 3.38Å
580	T	82.2	Confident	78.6	Confident	120 Å²	120	40.1 Å²	40.1	74%	0.736	23%	0.23	S	C	*	.	H	α-helix	trans	-78.8	-38.4	176.8	-59.9	0	0	0	0	112	Q576 W577	Q576-T580 WeakPolarHBondContact O-CB 3.17Å; Q576-T580 PolarHBondContact O-N 3.27Å; Q576-T580 PolarHBondContact O-OG1 3.23Å; W577-T580 WeakPolarHBondContact O-CB 3.47Å; W577-T580 PolarHBondContact O-N 3.05Å; W577-T580 VanDerWaalsContact O-N 3.07Å
581	I	74.6	Confident	78.8	Confident	28 Å²	28	37.7 Å²	37.7	14%	0.144	22%	0.216	C	C	.	.	S	Bend	trans	-78	150.9	169.7	63.6	158.5	0	0	0	110.3	I558 W577 S583 V586	I558-I581 HydrophobicContact CG2-CD1 4.09Å; W577-I581 HydrophobicContact CD2-CG2 4.4Å; W577-I581 HydrophobicContact CE3-CD1 4.16Å; W577-I581 HydrophobicContact CE3-CG1 4.37Å; W577-I581 HydrophobicContact CH2-CD1 3.57Å; W577-I581 HydrophobicContact CH2-CG1 4.42Å; W577-I581 HydrophobicContact CZ2-CD1 4.12Å; W577-I581 HydrophobicContact CZ2-CG2 3.95Å; W577-I581 HydrophobicContact CZ3-CD1 3.59Å; W577-I581 HydrophobicContact CZ3-CG1 4.28Å; W577-I581 WeakPolarHBondContact O-CG1 3.45Å; W577-I581 PolarHBondContact O-N 3.47Å; I581-S583 PolarHBondContact O-N 3.28Å; I581-V586 HydrophobicContact CD1-CG2 3.51Å; I581-V586 HydrophobicContact CG1-CG2 4.24Å
582	S	59.8	Low	78.9	Confident	47 Å²	47	37.8 Å²	37.8	33%	0.329	22%	0.217	S	C	.	.			trans	-63.9	124.9	173.9	-115.3	0	0	0	0	109.7	R87 V584 S585	R87-S582 PolarHBondContact NH2-OG 3.05Å; S582-V584 PolarHBondContact O-N 3.2Å; S582-S585 WeakPolarHBondContact O-CA 3.24Å; S582-S585 WeakPolarHBondContact O-CB 3.35Å; S582-S585 PolarHBondContact O-N 3.1Å
583	S	57.2	Low	79	Confident	27 Å²	27	43.5 Å²	43.5	19%	0.189	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	23.8	172.6	39.4	0	0	0	0	114.2	R87 I581	R87-S583 WeakPolarHBondContact CD-OG 2.95Å; R87-S583 PolarHBondContact NE-O 3.2Å; R87-S583 PolarHBondContact NE-OG 3.04Å; I581-S583 PolarHBondContact O-N 3.28Å
584	V	46.3	Very low	79	Confident	28 Å²	28	43 Å²	43	17%	0.17	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-29.7	156.5	150.6	0	0	0	0	110.1	Q86 R87 N111 S582	Q86-V584 HydrophobicContact CB-CG2 3.83Å; Q86-V584 HydrophobicContact CG-CG2 3.88Å; R87-V584 VanDerWaalsContact NE-N 3.12Å; N111-V584 HydrophobicContact CB-CG2 3.51Å; S582-V584 PolarHBondContact O-N 3.2Å
585	S	68.6	Low	78.8	Confident	15 Å²	15	45.4 Å²	45.4	11%	0.105	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-39.8	169.1	-57.9	0	0	0	0	110.2	V556 Q557 I558 S582 V587	V556-S585 WeakPolarHBondContact O-CA 3.45Å; V556-S585 WeakPolarHBondContact O-CB 3.24Å; V556-S585 PolarHBondContact O-OG 3.17Å; Q557-S585 CarbonylContact C-O 3.55Å; Q557-S585 WeakPolarHBondContact CA-O 3.44Å; I558-S585 PolarHBondContact N-O 3.5Å; I558-S585 VanDerWaalsContact O-O 3.07Å; S582-S585 WeakPolarHBondContact O-CA 3.24Å; S582-S585 WeakPolarHBondContact O-CB 3.35Å; S582-S585 PolarHBondContact O-N 3.1Å; S585-V587 PolarHBondContact O-N 3.18Å; S585-V587 VanDerWaalsContact O-N 3.15Å
586	V	76.8	Confident	78.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	105	171	-175.3	0	0	0	0	110.1	I558 L560 I578 I581 V590	I558-V586 HydrophobicContact CG2-CG2 4.03Å; I558-V586 WeakPolarHBondContact O-CA 3.24Å; L560-V586 HydrophobicContact CD1-CG1 4.28Å; I578-V586 HydrophobicContact CG1-CG2 4.48Å; I578-V586 HydrophobicContact CG2-CG2 4.38Å; I581-V586 HydrophobicContact CD1-CG2 3.51Å; I581-V586 HydrophobicContact CG1-CG2 4.24Å; V586-V590 HydrophobicContact CG1-CG2 3.73Å
587	V	74.3	Confident	78.4	Confident	16 Å²	16	55.5 Å²	55.5	10%	0.097	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129	175.3	-176.1	0	0	0	0	109.1	Q557 I558 D559 N561 S585	Q557-V587 HydrophobicContact CG-CG2 3.39Å; I558-V587 PolarHBondContact O-N 3.14Å; D559-V587 HydrophobicContact CB-CB 4.16Å; D559-V587 HydrophobicContact CB-CG2 4.4Å; N561-V587 PolarHBondContact ND2-O 3.42Å; S585-V587 PolarHBondContact O-N 3.18Å; S585-V587 VanDerWaalsContact O-N 3.15Å
588	G	70.4	Confident	78.2	Confident	31 Å²	31	55.3 Å²	55.3	32%	0.32	30%	0.301	S	S	.	.	S	Bend	trans	70.1	-147	172.9	0	0	0	0	0	115.2	N561 R604	N561-G588 WeakPolarHBondContact OD1-CA 3.4Å; G588-R604 VanDerWaalsContact O-CZ 3.3Å; G588-R604 PolarHBondContact O-NH1 3.44Å; G588-R604 PolarHBondContact O-NH2 3.3Å
589	D	80.9	Confident	78.2	Confident	90 Å²	90	57.7 Å²	57.7	48%	0.481	32%	0.316	S	S	.	.			trans	-120.8	128.8	-166.5	-64.6	-26.3	0	0	0	112.7	N561 L591 D602 R604	N561-D589 PolarHBondContact OD1-N 3.17Å; N561-D589 PolarHBondContact OD1-O 3.31Å; D589-L591 HydrophobicContact CB-CD2 3.97Å; D589-L591 HydrophobicContact CB-CG 4.12Å; D589-L591 PolarHBondContact O-N 3.2Å; D589-D602 WeakPolarHBondContact CA-OD2 3.37Å; D589-R604 IonicContact OD1-NH2 3.2Å; D589-R604 PolarHBondContact OD1-NH2 3.21Å
590	V	87.6	Confident	78.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.322	C	S	.	.			trans	-96.4	77.2	-175.4	-175.3	0	0	0	0	107.6	L560 W565 F574 I578 V586 D602 V603	L560-V590 HydrophobicContact CB-CG2 4.24Å; L560-V590 HydrophobicContact CD1-CG2 4.47Å; W565-V590 HydrophobicContact CD2-CG1 4.22Å; W565-V590 HydrophobicContact CG-CG1 4.12Å; F574-V590 HydrophobicContact CE1-CG1 4.24Å; I578-V590 HydrophobicContact CD1-CG1 4.26Å; I578-V590 HydrophobicContact CD1-CG2 4.25Å; V586-V590 HydrophobicContact CG1-CG2 3.73Å; V590-D602 PolarHBondContact N-OD2 2.92Å; V590-D602 WeakPolarHBondContact O-CA 3.32Å; V590-V603 HydrophobicContact CB-CB 4.41Å; V590-V603 HydrophobicContact CG1-CB 4.07Å; V590-V603 HydrophobicContact CG1-CG2 3.83Å; V590-V603 WeakPolarHBondContact O-CG2 3.36Å; V590-V603 PolarHBondContact O-N 2.81Å
591	L	88.9	Confident	78.5	Confident	67 Å²	67	60.5 Å²	60.5	35%	0.351	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-82.6	126.1	-171	-59.1	-177.3	0	0	0	113.1	D589 R601 D602	D589-L591 HydrophobicContact CB-CD2 3.97Å; D589-L591 HydrophobicContact CB-CG 4.12Å; D589-L591 PolarHBondContact O-N 3.2Å; L591-R601 CarbonylContact C-O 3.47Å; L591-R601 WeakPolarHBondContact CA-O 3.35Å; L591-D602 HydrophobicContact CD2-CB 4.16Å
592	C	91	Very high	79.1	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.014	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	138	171.2	-63.4	0	0	0	0	112	C567 L598 H600 R601 I606	C567-C592 HydrophobicContact CB-CB 3.82Å; C567-C592 WeakPolarHBondContact CB-SG 3.4Å; C567-C592 VanDerWaalsContact SG-CA 3.53Å; C567-C592 WeakPolarHBondContact SG-CB 3.49Å; C567-C592 CovalentContact SG-SG 2.02Å; C567-C592 PolarHBondContact SG-SG 2.8Å; C592-L598 HydrophobicContact CB-CB 4.37Å; C592-L598 WeakPolarHBondContact CB-O 3.41Å; C592-H600 PolarHBondContact O-N 3.1Å; C592-R601 PolarHBondContact N-O 2.92Å; C592-I606 WeakPolarHBondContact SG-CD1 3.35Å
593	R	90.9	Very high	80.4	Confident	138 Å²	138	57.6 Å²	57.6	52%	0.521	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-26.1	174.5	-173.7	55.1	-179.8	173.7	4.7	113.4	P564 W565 T599	P564-R593 HydrophobicContact CB-CB 4.05Å; P564-R593 HydrophobicContact CB-CG 4.02Å; W565-R593 PolarHBondContact O-N 3.22Å; R593-T599 VanDerWaalsContact O-CG2 3.24Å; R593-T599 WeakPolarHBondContact O-CG2 3.43Å
594	T	86.9	Confident	81.8	Confident	55 Å²	55	59.4 Å²	59.4	34%	0.337	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.5	168.8	42.4	0	0	0	0	109.3	W565 D566 C567	W565-T594 PolarHBondContact O-N 2.85Å; D566-T594 WeakPolarHBondContact CB-OG1 3.18Å; D566-T594 WeakPolarHBondContact OD1-CB 3.38Å; D566-T594 PolarHBondContact OD1-OG1 3.07Å; C567-T594 WeakPolarHBondContact CB-O 3.32Å; C567-T594 PolarHBondContact N-O 3.34Å
595	P	85	Confident	83.6	Confident	52 Å²	52	62.9 Å²	62.9	34%	0.338	32%	0.319	S	S	.	.	S	Bend	cis	-64.9	166.2	-15.7	31.6	-36.8	0	0	0	111.8	C567 N597 L598 T599	C567-P595 VanDerWaalsContact O-CD 3.31Å; C567-P595 WeakPolarHBondContact O-CD 3.36Å; P595-N597 VanDerWaalsContact C-N 3.25Å; P595-N597 PolarHBondContact O-N 3.06Å; P595-N597 VanDerWaalsContact O-N 3.16Å; P595-L598 HydrophobicContact CG-CD1 4.28Å; P595-L598 HydrophobicContact CG-CG 4.43Å; P595-L598 PolarHBondContact O-N 3.07Å; P595-T599 PolarHBondContact O-N 3.18Å
596	E	83.5	Confident	84.3	Confident	165 Å²	165	62.8 Å²	62.8	77%	0.771	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-54.6	-39.4	-173.7	-64.2	-167.6	156.1	0	0	113.3	L598 T599	E596-L598 PolarHBondContact O-N 3.01Å; E596-L598 VanDerWaalsContact O-N 3.1Å; E596-T599 WeakPolarHBondContact O-CB 3.3Å; E596-T599 WeakPolarHBondContact O-CG2 3.28Å; E596-T599 PolarHBondContact O-N 2.9Å; E596-T599 PolarHBondContact O-OG1 3.02Å
597	N	82.9	Confident	84.6	Confident	154 Å²	154	69.4 Å²	69.4	82%	0.824	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-57.4	-23.4	177.6	-64.3	-12.5	0	0	0	114.5	P595	P595-N597 VanDerWaalsContact C-N 3.25Å; P595-N597 PolarHBondContact O-N 3.06Å; P595-N597 VanDerWaalsContact O-N 3.16Å
598	L	84.9	Confident	85	Confident	20 Å²	20	71.4 Å²	71.4	11%	0.105	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-110.3	3.7	-179.8	-64.5	177.4	0	0	0	112.9	C567 C592 P595 E596 H600 R601 I606 V610 L611	C567-L598 HydrophobicContact CB-CB 4.46Å; C567-L598 HydrophobicContact CB-CD1 4.06Å; C592-L598 HydrophobicContact CB-CB 4.37Å; C592-L598 WeakPolarHBondContact CB-O 3.41Å; P595-L598 HydrophobicContact CG-CD1 4.28Å; P595-L598 HydrophobicContact CG-CG 4.43Å; P595-L598 PolarHBondContact O-N 3.07Å; E596-L598 PolarHBondContact O-N 3.01Å; E596-L598 VanDerWaalsContact O-N 3.1Å; L598-H600 PolarHBondContact O-N 3.09Å; L598-R601 HydrophobicContact CD2-CG 4.45Å; L598-R601 VanDerWaalsContact O-CB 3.25Å; L598-R601 WeakPolarHBondContact O-CB 3.45Å; L598-R601 WeakPolarHBondContact O-CG 3.26Å; L598-R601 PolarHBondContact O-N 3.15Å; L598-R601 VanDerWaalsContact O-N 3.1Å; L598-I606 HydrophobicContact CD1-CD1 4.37Å; L598-I606 HydrophobicContact CD2-CD1 4.31Å; L598-I606 HydrophobicContact CD2-CG2 4.44Å; L598-V610 HydrophobicContact CD1-CG1 4.5Å; L598-V610 HydrophobicContact CD2-CG1 3.94Å; L598-L611 HydrophobicContact CD1-CD2 4.32Å
599	T	86.4	Confident	85.4	Confident	53 Å²	53	76.2 Å²	76.2	33%	0.325	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	136.5	179.6	49.1	0	0	0	0	112.7	R593 P595 E596 R601	R593-T599 VanDerWaalsContact O-CG2 3.24Å; R593-T599 WeakPolarHBondContact O-CG2 3.43Å; P595-T599 PolarHBondContact O-N 3.18Å; E596-T599 WeakPolarHBondContact O-CB 3.3Å; E596-T599 WeakPolarHBondContact O-CG2 3.28Å; E596-T599 PolarHBondContact O-N 2.9Å; E596-T599 PolarHBondContact O-OG1 3.02Å; T599-R601 PolarHBondContact O-N 3.05Å
600	H	85.5	Confident	85.4	Confident	128 Å²	128	75.8 Å²	75.8	59%	0.593	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	11.6	-179.9	-54.6	-81.1	0	0	0	115.6	C592 L598	C592-H600 PolarHBondContact O-N 3.1Å; L598-H600 PolarHBondContact O-N 3.09Å
601	R	85.9	Confident	85	Confident	154 Å²	154	76.2 Å²	76.2	58%	0.581	38%	0.375	S	S	*	.			trans	-77.4	146.4	161.2	-61.1	-68.1	-177.2	162.2	0.6	109.7	L591 C592 L598 T599 I606	L591-R601 CarbonylContact C-O 3.47Å; L591-R601 WeakPolarHBondContact CA-O 3.35Å; C592-R601 PolarHBondContact N-O 2.92Å; L598-R601 HydrophobicContact CD2-CG 4.45Å; L598-R601 VanDerWaalsContact O-CB 3.25Å; L598-R601 WeakPolarHBondContact O-CB 3.45Å; L598-R601 WeakPolarHBondContact O-CG 3.26Å; L598-R601 PolarHBondContact O-N 3.15Å; L598-R601 VanDerWaalsContact O-N 3.1Å; T599-R601 PolarHBondContact O-N 3.05Å; R601-I606 HydrophobicContact CB-CD1 3.81Å; R601-I606 HydrophobicContact CB-CG1 4.02Å
602	D	87.3	Confident	84.7	Confident	13 Å²	13	73.3 Å²	73.3	7%	0.07	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-85.7	131.6	170.8	-175.6	-74.9	0	0	0	110.4	D589 V590 L591 R604 T605	D589-D602 WeakPolarHBondContact CA-OD2 3.37Å; V590-D602 PolarHBondContact N-OD2 2.92Å; V590-D602 WeakPolarHBondContact O-CA 3.32Å; L591-D602 HydrophobicContact CD2-CB 4.16Å; D602-R604 PolarHBondContact O-N 2.88Å; D602-R604 VanDerWaalsContact O-N 3.09Å; D602-R604 WeakPolarHBondContact OD1-CA 3.42Å; D602-R604 WeakPolarHBondContact OD1-CB 3.31Å; D602-R604 VanDerWaalsContact OD1-CG 3.3Å; D602-R604 WeakPolarHBondContact OD1-CG 3.05Å; D602-R604 IonicContact OD1-CZ 2.82Å; D602-R604 PolarHBondContact OD1-N 3.37Å; D602-R604 IonicContact OD1-NE 2.69Å; D602-R604 PolarHBondContact OD1-NE 3.46Å; D602-R604 IonicContact OD1-NH2 3.35Å; D602-R604 IonicContact OD2-CZ 3.38Å; D602-R604 IonicContact OD2-NE 3.67Å; D602-R604 PolarHBondContact OD2-NE 2.81Å; D602-R604 IonicContact OD2-NH2 3.75Å; D602-R604 PolarHBondContact OD2-NH2 3.05Å; D602-T605 HydrophobicContact CB-CG2 4.15Å; D602-T605 PolarHBondContact O-N 3.18Å; D602-T605 PolarHBondContact O-OG1 3.35Å
603	V	87.7	Confident	83.7	Confident	1 Å²	1	77 Å²	77	1%	0.006	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-50.6	-36.3	-178.5	172.4	0	0	0	0	112.8	C567 L571 K575 V590 T605 I606	C567-V603 VanDerWaalsContact SG-CG2 3.59Å; L571-V603 HydrophobicContact CD2-CG1 4.08Å; L571-V603 HydrophobicContact CD2-CG2 3.65Å; K575-V603 HydrophobicContact CB-CG1 3.95Å; K575-V603 HydrophobicContact CD-CG1 4.36Å; K575-V603 WeakPolarHBondContact CE-O 3.27Å; K575-V603 HydrophobicContact CG-CG1 4.02Å; V590-V603 HydrophobicContact CB-CB 4.41Å; V590-V603 HydrophobicContact CG1-CB 4.07Å; V590-V603 HydrophobicContact CG1-CG2 3.83Å; V590-V603 WeakPolarHBondContact O-CG2 3.36Å; V590-V603 PolarHBondContact O-N 2.81Å; V603-T605 PolarHBondContact O-N 2.8Å; V603-I606 PolarHBondContact O-N 2.81Å
604	R	85.3	Confident	82.4	Confident	65 Å²	65	78.4 Å²	78.4	25%	0.245	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-69.3	-17.5	-179.7	-56.6	167.1	-68.2	-173.6	10.1	113.1	I578 G588 D589 D602	I578-R604 HydrophobicContact CG2-CG 3.51Å; G588-R604 VanDerWaalsContact O-CZ 3.3Å; G588-R604 PolarHBondContact O-NH1 3.44Å; G588-R604 PolarHBondContact O-NH2 3.3Å; D589-R604 IonicContact OD1-NH2 3.2Å; D589-R604 PolarHBondContact OD1-NH2 3.21Å; D602-R604 PolarHBondContact O-N 2.88Å; D602-R604 VanDerWaalsContact O-N 3.09Å; D602-R604 WeakPolarHBondContact OD1-CA 3.42Å; D602-R604 WeakPolarHBondContact OD1-CB 3.31Å; D602-R604 VanDerWaalsContact OD1-CG 3.3Å; D602-R604 WeakPolarHBondContact OD1-CG 3.05Å; D602-R604 IonicContact OD1-CZ 2.82Å; D602-R604 PolarHBondContact OD1-N 3.37Å; D602-R604 IonicContact OD1-NE 2.69Å; D602-R604 PolarHBondContact OD1-NE 3.46Å; D602-R604 IonicContact OD1-NH2 3.35Å; D602-R604 IonicContact OD2-CZ 3.38Å; D602-R604 IonicContact OD2-NE 3.67Å; D602-R604 PolarHBondContact OD2-NE 2.81Å; D602-R604 IonicContact OD2-NH2 3.75Å; D602-R604 PolarHBondContact OD2-NH2 3.05Å
605	T	84.6	Confident	80.9	Confident	100 Å²	100	82 Å²	82	61%	0.613	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-102.3	-4	-175.6	66.5	0	0	0	0	114.1	D602 V603	D602-T605 HydrophobicContact CB-CG2 4.15Å; D602-T605 PolarHBondContact O-N 3.18Å; D602-T605 PolarHBondContact O-OG1 3.35Å; V603-T605 PolarHBondContact O-N 2.8Å
606	I	84.6	Confident	79.1	Confident	13 Å²	13	85 Å²	85	7%	0.067	42%	0.424	C	S	.	.	S	Bend	trans	-90.9	138.6	-178.3	-57.5	169.4	0	0	0	109.1	K575 C592 L598 R601 V603 V610 L611	K575-I606 WeakPolarHBondContact CE-O 3.05Å; K575-I606 PolarHBondContact NZ-O 2.86Å; C592-I606 WeakPolarHBondContact SG-CD1 3.35Å; L598-I606 HydrophobicContact CD1-CD1 4.37Å; L598-I606 HydrophobicContact CD2-CD1 4.31Å; L598-I606 HydrophobicContact CD2-CG2 4.44Å; R601-I606 HydrophobicContact CB-CD1 3.81Å; R601-I606 HydrophobicContact CB-CG1 4.02Å; V603-I606 PolarHBondContact O-N 2.81Å; I606-V610 HydrophobicContact CG2-CB 4Å; I606-V610 HydrophobicContact CG2-CG1 4.23Å; I606-L611 HydrophobicContact CB-CD1 4.28Å; I606-L611 HydrophobicContact CG2-CD1 3.95Å; I606-L611 HydrophobicContact CG2-CD2 4.27Å; I606-L611 HydrophobicContact CG2-CG 3.78Å
607	E	82.6	Confident	77.4	Confident	141 Å²	141	85.1 Å²	85.1	66%	0.659	42%	0.424	S	S	*	.			trans	-77.4	146.1	175.7	-69.6	172.7	164.3	0	0	110.8	E609 V610	E607-E609 PolarHBondContact O-N 3.22Å; E607-V610 HydrophobicContact CB-CG2 4.23Å; E607-V610 WeakPolarHBondContact O-CB 3.39Å; E607-V610 PolarHBondContact O-N 2.75Å
608	L	81.9	Confident	75.6	Confident	57 Å²	57	85.8 Å²	85.8	30%	0.298	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-34	-171.3	-168.8	67.2	0	0	0	112.7	V572 V610 L611 C612 M615	V572-L608 HydrophobicContact CB-CD1 4.19Å; V572-L608 HydrophobicContact CG1-CD1 3.7Å; V572-L608 HydrophobicContact CG2-CD1 3.48Å; V572-L608 VanDerWaalsContact CG2-CD1 3.48Å; L608-V610 PolarHBondContact O-N 2.83Å; L608-L611 PolarHBondContact O-N 2.65Å; L608-L611 VanDerWaalsContact O-N 3.17Å; L608-C612 PolarHBondContact O-N 3.22Å; L608-C612 VanDerWaalsContact O-N 3.08Å; L608-M615 HydrophobicContact CD2-CE 4.05Å; L608-M615 HydrophobicContact CG-CE 4.46Å
609	E	78.6	Confident	73.4	Confident	133 Å²	133	88.7 Å²	88.7	62%	0.621	45%	0.453	S	S	*	.	H	α-helix	trans	-63.9	-28	178.2	-62.8	170.3	-154	0	0	112.7	E607	E607-E609 PolarHBondContact O-N 3.22Å
610	V	80.8	Confident	71.4	Confident	81 Å²	81	92 Å²	92	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-80.1	-21.7	178.4	-173.5	0	0	0	0	111.7	L598 I606 E607 L608	L598-V610 HydrophobicContact CD1-CG1 4.5Å; L598-V610 HydrophobicContact CD2-CG1 3.94Å; I606-V610 HydrophobicContact CG2-CB 4Å; I606-V610 HydrophobicContact CG2-CG1 4.23Å; E607-V610 HydrophobicContact CB-CG2 4.23Å; E607-V610 WeakPolarHBondContact O-CB 3.39Å; E607-V610 PolarHBondContact O-N 2.75Å; L608-V610 PolarHBondContact O-N 2.83Å
611	L	79.9	Confident	69.3	Low	8 Å²	8	92.1 Å²	92.1	4%	0.042	49%	0.487	C	S	.	.	H	α-helix	trans	-90	-36.2	177.8	-69.6	156.3	0	0	0	112.6	C567 C569 V572 K575 L598 I606 L608	C567-L611 HydrophobicContact CB-CD2 3.88Å; C567-L611 WeakPolarHBondContact O-CD2 3.42Å; C569-L611 WeakPolarHBondContact CA-O 3.29Å; C569-L611 PolarHBondContact N-O 3.38Å; V572-L611 HydrophobicContact CG2-CB 4.11Å; K575-L611 HydrophobicContact CD-CD1 3.34Å; L598-L611 HydrophobicContact CD1-CD2 4.32Å; I606-L611 HydrophobicContact CB-CD1 4.28Å; I606-L611 HydrophobicContact CG2-CD1 3.95Å; I606-L611 HydrophobicContact CG2-CD2 4.27Å; I606-L611 HydrophobicContact CG2-CG 3.78Å; L608-L611 PolarHBondContact O-N 2.65Å; L608-L611 VanDerWaalsContact O-N 3.17Å
612	C	82.2	Confident	67	Low	6 Å²	6	88 Å²	88	4%	0.041	49%	0.492	C	S	.	.			trans	-129.9	73.3	179	-64.8	0	0	0	0	111.8	C569 V572 L608 E614 M615	C569-C612 WeakPolarHBondContact CA-SG 3.32Å; C569-C612 HydrophobicContact CB-CB 4.05Å; C569-C612 WeakPolarHBondContact CB-SG 3.26Å; C569-C612 WeakPolarHBondContact SG-CB 3.46Å; C569-C612 CovalentContact SG-SG 2.04Å; C569-C612 PolarHBondContact SG-SG 3.09Å; V572-C612 WeakPolarHBondContact CG2-SG 3.25Å; L608-C612 PolarHBondContact O-N 3.22Å; L608-C612 VanDerWaalsContact O-N 3.08Å; C612-E614 PolarHBondContact O-N 3.19Å; C612-E614 VanDerWaalsContact O-N 3.15Å; C612-M615 HydrophobicContact CB-CG 4.2Å; C612-M615 PolarHBondContact O-N 3.41Å
613	P	70.8	Confident	65	Low	81 Å²	81	93.7 Å²	93.7	53%	0.526	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-61.1	-22.7	178.2	24	-34.1	0	0	0	113.6	M615 L616	P613-M615 VanDerWaalsContact C-N 3.26Å; P613-M615 PolarHBondContact O-N 3.36Å; P613-L616 PolarHBondContact O-N 2.94Å
614	E	63	Low	62.5	Low	166 Å²	166	98.6 Å²	98.6	78%	0.776	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-67.1	-19.6	-179.2	-61.7	-166.2	151.6	0	0	114.4	C612 L616 H617	C612-E614 PolarHBondContact O-N 3.19Å; C612-E614 VanDerWaalsContact O-N 3.15Å; E614-L616 PolarHBondContact O-N 3.13Å; E614-L616 VanDerWaalsContact O-N 3.09Å; E614-H617 PolarHBondContact O-N 3.28Å
615	M	54.6	Low	60.4	Low	131 Å²	131	101.7 Å²	101.7	65%	0.645	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-66.4	-11.2	177.2	-66.2	-148.6	-57	0	0	113.6	L608 C612 P613 H617	L608-M615 HydrophobicContact CD2-CE 4.05Å; L608-M615 HydrophobicContact CG-CE 4.46Å; C612-M615 HydrophobicContact CB-CG 4.2Å; C612-M615 PolarHBondContact O-N 3.41Å; P613-M615 VanDerWaalsContact C-N 3.26Å; P613-M615 PolarHBondContact O-N 3.36Å; M615-H617 VanDerWaalsContact C-N 3.33Å
616	L	48.5	Very low	58.5	Low	115 Å²	115	102.5 Å²	102.5	60%	0.602	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-87.7	6.9	176.9	-63.8	172.1	0	0	0	113.7	P613 E614	P613-L616 PolarHBondContact O-N 2.94Å; E614-L616 PolarHBondContact O-N 3.13Å; E614-L616 VanDerWaalsContact O-N 3.09Å
617	H	48.3	Very low	56.1	Low	167 Å²	167	110.8 Å²	110.8	77%	0.773	64%	0.639	S	S	*	*			trans	-117.2	40.9	-175.3	-72.6	-11.3	0	0	0	115	E614 M615	E614-H617 PolarHBondContact O-N 3.28Å; M615-H617 VanDerWaalsContact C-N 3.33Å
618	I	44.6	Very low	54.1	Low	169 Å²	169	109.6 Å²	109.6	87%	0.867	64%	0.643	S	S	*	*			trans	-120.5	73.2	160.2	-49.5	-177.6	0	0	0	110
619	A	39	Very low	51.8	Low	81 Å²	81	110.3 Å²	110.3	67%	0.669	66%	0.664	S	S	*	*			trans	-113.8	140.1	161.7	0	0	0	0	0	108.7
620	P	44	Very low	49.5	Very low	122 Å²	122	110.8 Å²	110.8	79%	0.792	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-67.4	135.7	-177.7	27.5	-34.1	0	0	0	110.9	G622	P620-G622 PolarHBondContact O-N 3.05Å
621	P	42	Very low	47	Very low	131 Å²	131	116.9 Å²	116.9	85%	0.851	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-67.9	120.9	-179.6	26.7	-33.6	0	0	0	111.1
622	G	37.8	Very low	44.6	Very low	66 Å²	66	125 Å²	125	68%	0.68	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-68.6	147.4	172	0	0	0	0	0	112	P620	P620-G622 PolarHBondContact O-N 3.05Å
623	P	43.5	Very low	43.1	Very low	133 Å²	133	129.7 Å²	129.7	86%	0.864	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-76.5	129.6	-172.7	29.8	-34.9	0	0	0	113.2
624	S	36.3	Very low	41.4	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-84.9	147.2	165.7	54.8	0	0	0	0	111.7
625	P	39.9	Very low	39.8	Very low	129 Å²	129	129.3 Å²	129.3	84%	0.838	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-76.3	141.6	-174.3	30.5	-35.6	0	0	0	113.8
626	P	44.7	Very low	38.6	Very low	118 Å²	118	126.8 Å²	126.8	77%	0.766	78%	0.779	S	S	*	*			trans	-105.1	149.5	177.9	38	-32.9	0	0	0	114
627	Q	34.7	Very low	38.5	Very low	187 Å²	187	126.6 Å²	126.6	87%	0.874	78%	0.784	S	S	*	*			trans	179.7	159.6	157.1	-106.3	-178	15.1	0	0	110
628	P	41.5	Very low	37.8	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	78%	0.782	S	S	*	*				-140	159.9	-51.3	31.9	-12.3	0	0	0	115.9
629	G	34	Very low	37	Very low	73 Å²	73	123.3 Å²	123.3	75%	0.753	78%	0.779	S	S	*	*			trans	88.6	158.2	150.4	0	0	0	0	0	118.5
630	D	29.7	Very low	36.5	Very low	142 Å²	142	124.2 Å²	124.2	76%	0.759	79%	0.786	S	S	*	*			cis	-163.8	174.7	-11.3	-141.8	-31.4	0	0	0	113.2
631	Y	28.9	Very low	35.9	Very low	209 Å²	209	123.7 Å²	123.7	82%	0.82	79%	0.785	S	S	*	*			trans	84.3	96.8	166.3	-72	-71.7	0	0	0	122.6
632	H	28.8	Very low	36.4	Very low	179 Å²	179	122 Å²	122	83%	0.829	77%	0.774	S	S	*	*			trans	-60	-178.5	143.2	-85.3	-57.8	0	0	0	112.9
633	P	51.2	Low	35.9	Very low	105 Å²	105	128.3 Å²	128.3	68%	0.682	78%	0.779	S	S	*	*			cis	-152.9	-174.1	30.2	45.2	-23	0	0	0	121
634	N	33.4	Very low	35.2	Very low	162 Å²	162	130.3 Å²	130.3	87%	0.866	78%	0.777	S	S	*	*			trans	108.6	124	162.9	-60.5	-23.3	0	0	0	115
635	G	30.1	Very low	35.4	Very low	76 Å²	76	135.2 Å²	135.2	78%	0.784	79%	0.785	S	S	*	*			cis	-159.1	170	-3.7	0	0	0	0	0	112.1
636	G	29.3	Very low	34.9	Very low	78 Å²	78	134.6 Å²	134.6	80%	0.804	78%	0.784	S	S	*	*			trans	-84.7	-151.6	-171.9	0	0	0	0	0	115.7
637	P	46.4	Very low	34.9	Very low	111 Å²	111	134.3 Å²	134.3	72%	0.721	78%	0.782	S	S	*	*			cis	-143.9	167.4	12.1	42.8	-24.3	0	0	0	118.5
638	T	33.3	Very low	35.2	Very low	119 Å²	119	132.3 Å²	132.3	73%	0.73	79%	0.785	S	S	*	*			trans	64.5	151.9	150.6	51.9	0	0	0	0	119.9
639	N	29	Very low	35.6	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	79%	0.787	S	S	*	*			cis	-159	161.5	-3.2	-121.5	-12.9	0	0	0	113.6
640	A	27.5	Very low	36.3	Very low	99 Å²	99	130 Å²	130	82%	0.818	78%	0.783	S	S	*	*			trans	70.5	146.6	153.4	0	0	0	0	0	122.1
641	S	31.8	Very low	37.3	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	79%	0.787	S	S	*	*			trans	-132.3	-170.4	174.7	63.2	0	0	0	0	108
642	P	52	Low	38.8	Very low	95 Å²	95	123.9 Å²	123.9	62%	0.617	78%	0.775	S	S	*	*			cis	-131.2	-127.9	-1.4	42.5	-22.2	0	0	0	112.8
643	Y	28.6	Very low	40.4	Very low	200 Å²	200	119 Å²	119	78%	0.784	76%	0.759	S	S	*	*			trans	82.8	145.7	178.7	-54.1	-70.1	0	0	0	117.6
644	E	28.7	Very low	40.9	Very low	174 Å²	174	120.3 Å²	120.3	81%	0.813	76%	0.759	S	S	*	*			cis	-162.3	165.6	-35.1	-150.6	162.6	-157.5	0	0	109.6
645	F	39.1	Very low	42.6	Very low	208 Å²	208	116.2 Å²	116.2	91%	0.912	74%	0.743	S	S	*	*			trans	-93.6	122.2	-178.9	-120.5	-90.6	0	0	0	112
646	S	30.5	Very low	44.5	Very low	117 Å²	117	116.3 Å²	116.3	82%	0.818	73%	0.729	S	S	*	*			trans	-170.2	168.5	167.4	-98.1	0	0	0	0	113.6
647	P	43.6	Very low	46.4	Very low	112 Å²	112	116.3 Å²	116.3	73%	0.727	71%	0.71	S	S	*	*			trans	-90.9	166.2	-146.6	34.9	-37.7	0	0	0	116.6	G649	P647-G649 PolarHBondContact O-N 3.04Å
648	P	42.8	Very low	48	Very low	144 Å²	144	115.6 Å²	115.6	94%	0.935	70%	0.699	S	S	*	*			trans	-70.2	100.7	178.3	28.9	-35.7	0	0	0	112.5
649	G	48.2	Very low	49.7	Very low	75 Å²	75	115.3 Å²	115.3	77%	0.773	69%	0.692	S	S	*	*			trans	-152.8	43.5	-177.4	0	0	0	0	0	114.5	P647	P647-G649 PolarHBondContact O-N 3.04Å
650	G	49.7	Very low	51.7	Low	65 Å²	65	110.8 Å²	110.8	67%	0.67	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-94.3	151.1	176.8	0	0	0	0	0	113.4	V652	G650-V652 PolarHBondContact O-N 3.23Å
651	P	51.3	Low	54.1	Low	131 Å²	131	110.7 Å²	110.7	85%	0.851	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-70.1	129.8	-176.5	28	-34.4	0	0	0	112.7
652	V	58.8	Low	56.5	Low	92 Å²	92	109.3 Å²	109.3	56%	0.558	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-64.8	131	175.9	177.6	0	0	0	0	110.1	G650 V656	G650-V652 PolarHBondContact O-N 3.23Å; V652-V656 HydrophobicContact CG1-CB 3.96Å; V652-V656 HydrophobicContact CG1-CG1 4.03Å
653	P	64.3	Low	57.9	Low	77 Å²	77	109.7 Å²	109.7	50%	0.5	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-64.1	138.4	179.5	25.2	-34	0	0	0	111.9	S655 V656 L657	P653-S655 PolarHBondContact O-N 2.86Å; P653-V656 HydrophobicContact CG-CG2 4.02Å; P653-V656 PolarHBondContact O-N 2.88Å; P653-L657 PolarHBondContact O-N 3.09Å
654	L	60.6	Low	60.5	Low	131 Å²	131	105.2 Å²	105.2	69%	0.686	63%	0.63	S	S	*	*	H	α-helix	trans	-52.6	-30	-175.5	-88	159.9	0	0	0	114.4	L657 I658	L654-L657 PolarHBondContact O-N 3.34Å; L654-I658 WeakPolarHBondContact O-CB 3.03Å; L654-I658 WeakPolarHBondContact O-CD1 3.42Å; L654-I658 VanDerWaalsContact O-CG1 3.23Å; L654-I658 WeakPolarHBondContact O-CG1 2.94Å; L654-I658 PolarHBondContact O-N 2.98Å
655	S	68.9	Low	63.2	Low	76 Å²	76	103.1 Å²	103.1	53%	0.531	62%	0.619	S	S	.	*	H	α-helix	trans	-59.9	-43.8	175.4	48.7	0	0	0	0	113.2	P653 L659	P653-S655 PolarHBondContact O-N 2.86Å; S655-L659 WeakPolarHBondContact O-CB 3.21Å; S655-L659 WeakPolarHBondContact O-CG 3.44Å; S655-L659 PolarHBondContact O-N 3.26Å
656	V	70.9	Confident	65.4	Low	79 Å²	79	98.6 Å²	98.6	48%	0.479	60%	0.599	S	S	.	*	H	α-helix	trans	-69.1	-39.5	177.4	176.9	0	0	0	0	110.3	V652 P653 L659 S660	V652-V656 HydrophobicContact CG1-CB 3.96Å; V652-V656 HydrophobicContact CG1-CG1 4.03Å; P653-V656 HydrophobicContact CG-CG2 4.02Å; P653-V656 PolarHBondContact O-N 2.88Å; V656-L659 PolarHBondContact O-N 3.47Å; V656-S660 WeakPolarHBondContact O-CB 3.48Å; V656-S660 PolarHBondContact O-N 3.05Å; V656-S660 PolarHBondContact O-OG 3.48Å
657	L	67.7	Low	67.6	Low	77 Å²	77	95.8 Å²	95.8	40%	0.403	58%	0.579	S	S	.	*	H	α-helix	trans	-63.9	-46.4	178.1	-130.2	168.8	0	0	0	111.5	P653 L654 L659 S660 L661	P653-L657 PolarHBondContact O-N 3.09Å; L654-L657 PolarHBondContact O-N 3.34Å; L657-L659 PolarHBondContact O-N 3.06Å; L657-S660 PolarHBondContact O-N 3.16Å; L657-S660 PolarHBondContact O-OG 2.97Å; L657-L661 HydrophobicContact CD2-CD1 3.79Å; L657-L661 HydrophobicContact CD2-CG 4.16Å; L657-L661 WeakPolarHBondContact O-CG 3.47Å; L657-L661 PolarHBondContact O-N 3.13Å
658	I	80.3	Confident	69.5	Low	96 Å²	96	93.2 Å²	93.2	49%	0.492	57%	0.567	S	S	.	*	H	α-helix	trans	-61.7	-43.2	175.3	-69.1	163.3	0	0	0	111.5	L654 L661 L662	L654-I658 WeakPolarHBondContact O-CB 3.03Å; L654-I658 WeakPolarHBondContact O-CD1 3.42Å; L654-I658 VanDerWaalsContact O-CG1 3.23Å; L654-I658 WeakPolarHBondContact O-CG1 2.94Å; L654-I658 PolarHBondContact O-N 2.98Å; I658-L661 PolarHBondContact O-N 2.67Å; I658-L662 HydrophobicContact CG2-CD1 4.11Å; I658-L662 WeakPolarHBondContact O-CG 3.39Å; I658-L662 PolarHBondContact O-N 2.88Å
659	L	68.7	Low	71.6	Confident	113 Å²	113	89.8 Å²	89.8	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-63.4	-43.4	176.3	-75.9	167.3	0	0	0	111.9	S655 V656 L657 L661 L662 V663	S655-L659 WeakPolarHBondContact O-CB 3.21Å; S655-L659 WeakPolarHBondContact O-CG 3.44Å; S655-L659 PolarHBondContact O-N 3.26Å; V656-L659 PolarHBondContact O-N 3.47Å; L657-L659 PolarHBondContact O-N 3.06Å; L659-L661 PolarHBondContact O-N 3.41Å; L659-L662 PolarHBondContact O-N 2.87Å; L659-V663 WeakPolarHBondContact O-CG2 3.35Å; L659-V663 PolarHBondContact O-N 3.41Å
660	S	72.4	Confident	73.1	Confident	54 Å²	54	93.6 Å²	93.6	38%	0.378	54%	0.539	S	S	.	.	H	α-helix	trans	-63.3	-39.9	176.8	72.5	0	0	0	0	112.7	V656 L657 V663 L664	V656-S660 WeakPolarHBondContact O-CB 3.48Å; V656-S660 PolarHBondContact O-N 3.05Å; V656-S660 PolarHBondContact O-OG 3.48Å; L657-S660 PolarHBondContact O-N 3.16Å; L657-S660 PolarHBondContact O-OG 2.97Å; S660-V663 PolarHBondContact O-N 3.11Å; S660-L664 WeakPolarHBondContact O-CB 3.49Å; S660-L664 WeakPolarHBondContact O-CG 3.24Å; S660-L664 PolarHBondContact O-N 2.84Å
661	L	77.4	Confident	74.7	Confident	98 Å²	98	95 Å²	95	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-68	-36.1	175.3	-72.9	169	0	0	0	112.9	L657 I658 L659 F665	L657-L661 HydrophobicContact CD2-CD1 3.79Å; L657-L661 HydrophobicContact CD2-CG 4.16Å; L657-L661 WeakPolarHBondContact O-CG 3.47Å; L657-L661 PolarHBondContact O-N 3.13Å; I658-L661 PolarHBondContact O-N 2.67Å; L659-L661 PolarHBondContact O-N 3.41Å; L661-F665 VanDerWaalsContact O-CB 3.29Å; L661-F665 WeakPolarHBondContact O-CB 3.4Å; L661-F665 PolarHBondContact O-N 2.87Å
662	L	82.4	Confident	76.1	Confident	81 Å²	81	91.5 Å²	91.5	42%	0.424	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-44.7	172	-79	166.3	0	0	0	111.6	I658 L659 L664 F665 F666	I658-L662 HydrophobicContact CG2-CD1 4.11Å; I658-L662 WeakPolarHBondContact O-CG 3.39Å; I658-L662 PolarHBondContact O-N 2.88Å; L659-L662 PolarHBondContact O-N 2.87Å; L662-L664 PolarHBondContact O-N 2.81Å; L662-F665 PolarHBondContact O-N 3.27Å; L662-F666 HydrophobicContact CD2-CE2 4.26Å; L662-F666 WeakPolarHBondContact O-CD2 3.46Å; L662-F666 PolarHBondContact O-N 3.11Å
663	V	82.1	Confident	76.9	Confident	103 Å²	103	89.8 Å²	89.8	62%	0.624	51%	0.512	S	S	*	.	H	α-helix	trans	-60.5	-45.6	176.1	171	0	0	0	0	111	L659 S660 F666 S667	L659-V663 WeakPolarHBondContact O-CG2 3.35Å; L659-V663 PolarHBondContact O-N 3.41Å; S660-V663 PolarHBondContact O-N 3.11Å; V663-F666 PolarHBondContact O-N 2.03Å; V663-S667 WeakPolarHBondContact O-CB 3.48Å; V663-S667 PolarHBondContact O-N 3.35Å; V663-S667 PolarHBondContact O-OG 2.86Å
664	L	82.4	Confident	77.7	Confident	107 Å²	107	88 Å²	88	56%	0.56	51%	0.509	S	S	*	.	H	α-helix	trans	-61.7	-41.8	174.9	-77.4	167.5	0	0	0	112.7	S660 L662 S667 A668	S660-L664 WeakPolarHBondContact O-CB 3.49Å; S660-L664 WeakPolarHBondContact O-CG 3.24Å; S660-L664 PolarHBondContact O-N 2.84Å; L662-L664 PolarHBondContact O-N 2.81Å; L664-S667 WeakPolarHBondContact CA-OG 3.38Å; L664-S667 PolarHBondContact O-N 2.83Å; L664-S667 PolarHBondContact O-OG 2.94Å; L664-A668 WeakPolarHBondContact O-CB 3.34Å; L664-A668 PolarHBondContact O-N 2.89Å
665	F	86.1	Confident	78.4	Confident	130 Å²	130	86.8 Å²	86.8	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-63.1	-48.6	177.5	179.9	-99.3	0	0	0	111.5	L661 L662 S667 A668 V669	L661-F665 VanDerWaalsContact O-CB 3.29Å; L661-F665 WeakPolarHBondContact O-CB 3.4Å; L661-F665 PolarHBondContact O-N 2.87Å; L662-F665 PolarHBondContact O-N 3.27Å; F665-S667 PolarHBondContact O-N 2.86Å; F665-A668 PolarHBondContact O-N 3.4Å; F665-V669 HydrophobicContact CD1-CG2 4.45Å; F665-V669 HydrophobicContact CE1-CG2 4.09Å; F665-V669 HydrophobicContact CE2-CG2 4.47Å; F665-V669 HydrophobicContact CZ-CG2 4.1Å; F665-V669 WeakPolarHBondContact O-CG2 3.31Å; F665-V669 PolarHBondContact O-N 3.44Å
666	F	85.1	Confident	78.5	Confident	112 Å²	112	90 Å²	90	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-63.2	-41.9	176.3	-73.1	-60.8	0	0	0	111.9	L662 V663 A668 V669 F670	L662-F666 HydrophobicContact CD2-CE2 4.26Å; L662-F666 WeakPolarHBondContact O-CD2 3.46Å; L662-F666 PolarHBondContact O-N 3.11Å; V663-F666 PolarHBondContact O-N 2.03Å; F666-A668 VanDerWaalsContact C-N 3.34Å; F666-A668 PolarHBondContact O-N 2.82Å; F666-V669 PolarHBondContact O-N 3.17Å; F666-F670 WeakPolarHBondContact O-CD2 3.18Å; F666-F670 PolarHBondContact O-N 3.31Å
667	S	76.8	Confident	78.4	Confident	58 Å²	58	88.9 Å²	88.9	41%	0.406	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-41.2	176.8	67.3	0	0	0	0	112	V663 L664 F665 F670 V671	V663-S667 WeakPolarHBondContact O-CB 3.48Å; V663-S667 PolarHBondContact O-N 3.35Å; V663-S667 PolarHBondContact O-OG 2.86Å; L664-S667 WeakPolarHBondContact CA-OG 3.38Å; L664-S667 PolarHBondContact O-N 2.83Å; L664-S667 PolarHBondContact O-OG 2.94Å; F665-S667 PolarHBondContact O-N 2.86Å; S667-F670 PolarHBondContact O-N 3.24Å; S667-V671 WeakPolarHBondContact O-CB 3.37Å; S667-V671 VanDerWaalsContact O-CG2 3.32Å; S667-V671 WeakPolarHBondContact O-CG2 3.36Å; S667-V671 PolarHBondContact O-N 2.85Å
668	A	83.7	Confident	78.6	Confident	58 Å²	58	91.8 Å²	91.8	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-40.6	176	0	0	0	0	0	112.4	L664 F665 F666 V671 A672	L664-A668 WeakPolarHBondContact O-CB 3.34Å; L664-A668 PolarHBondContact O-N 2.89Å; F665-A668 PolarHBondContact O-N 3.4Å; F666-A668 VanDerWaalsContact C-N 3.34Å; F666-A668 PolarHBondContact O-N 2.82Å; A668-V671 PolarHBondContact O-N 2.79Å; A668-A672 WeakPolarHBondContact O-CB 3.37Å; A668-A672 PolarHBondContact O-N 3.32Å
669	V	86.7	Confident	78.2	Confident	72 Å²	72	90.7 Å²	90.7	44%	0.436	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-43.3	175.4	170.6	0	0	0	0	111.5	F665 F666 A672 A673	F665-V669 HydrophobicContact CD1-CG2 4.45Å; F665-V669 HydrophobicContact CE1-CG2 4.09Å; F665-V669 HydrophobicContact CE2-CG2 4.47Å; F665-V669 HydrophobicContact CZ-CG2 4.1Å; F665-V669 WeakPolarHBondContact O-CG2 3.31Å; F665-V669 PolarHBondContact O-N 3.44Å; F666-V669 PolarHBondContact O-N 3.17Å; V669-A672 PolarHBondContact O-N 3.03Å; V669-A673 WeakPolarHBondContact O-CB 3.13Å; V669-A673 PolarHBondContact O-N 3.29Å
670	F	78.9	Confident	77.7	Confident	155 Å²	155	89.2 Å²	89.2	68%	0.68	50%	0.502	S	S	*	.	H	α-helix	trans	-67.1	-38.6	176.5	-77.7	-64.2	0	0	0	112.9	F666 S667 A673 G674	F666-F670 WeakPolarHBondContact O-CD2 3.18Å; F666-F670 PolarHBondContact O-N 3.31Å; S667-F670 PolarHBondContact O-N 3.24Å; F670-A673 PolarHBondContact O-N 2.99Å; F670-G674 PolarHBondContact O-N 3.3Å
671	V	83.3	Confident	76.9	Confident	94 Å²	94	96.2 Å²	96.2	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-64.1	-44	173.7	169.3	0	0	0	0	111.2	S667 A668 A673 G674 L675	S667-V671 WeakPolarHBondContact O-CB 3.37Å; S667-V671 VanDerWaalsContact O-CG2 3.32Å; S667-V671 WeakPolarHBondContact O-CG2 3.36Å; S667-V671 PolarHBondContact O-N 2.85Å; A668-V671 PolarHBondContact O-N 2.79Å; V671-A673 PolarHBondContact O-N 3.14Å; V671-G674 PolarHBondContact O-N 2.94Å; V671-L675 HydrophobicContact CG1-CD1 3.99Å; V671-L675 WeakPolarHBondContact O-CB 3.23Å; V671-L675 WeakPolarHBondContact O-CG 3.26Å; V671-L675 PolarHBondContact O-N 3.47Å
672	A	79.9	Confident	75.8	Confident	59 Å²	59	100 Å²	100	49%	0.488	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-42.9	176	0	0	0	0	0	112.2	A668 V669 L675 F676	A668-A672 WeakPolarHBondContact O-CB 3.37Å; A668-A672 PolarHBondContact O-N 3.32Å; V669-A672 PolarHBondContact O-N 3.03Å; A672-L675 PolarHBondContact O-N 3.06Å; A672-F676 WeakPolarHBondContact O-CB 3.33Å; A672-F676 PolarHBondContact O-N 3.15Å
673	A	76.7	Confident	74.2	Confident	55 Å²	55	105.6 Å²	105.6	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-63.7	-41.8	175.1	0	0	0	0	0	112.2	V669 F670 V671 F676 A677	V669-A673 WeakPolarHBondContact O-CB 3.13Å; V669-A673 PolarHBondContact O-N 3.29Å; F670-A673 PolarHBondContact O-N 2.99Å; V671-A673 PolarHBondContact O-N 3.14Å; A673-F676 PolarHBondContact O-N 2.78Å; A673-A677 WeakPolarHBondContact O-CB 3.21Å; A673-A677 PolarHBondContact O-N 2.98Å
674	G	79.7	Confident	72.5	Confident	41 Å²	41	111.6 Å²	111.6	42%	0.423	56%	0.555	S	S	.	*	H	α-helix	trans	-62.1	-45.2	175.3	0	0	0	0	0	112.8	F670 V671 A677 Y678	F670-G674 PolarHBondContact O-N 3.3Å; V671-G674 PolarHBondContact O-N 2.94Å; G674-A677 PolarHBondContact O-N 3.07Å; G674-Y678 WeakPolarHBondContact O-CB 3Å; G674-Y678 PolarHBondContact O-N 3.34Å
675	L	76.9	Confident	70.8	Confident	105 Å²	105	115.4 Å²	115.4	55%	0.55	57%	0.566	S	S	.	*	H	α-helix	trans	-62.9	-42.1	174.8	-73.6	168.7	0	0	0	112	V671 A672 Y678 V679	V671-L675 HydrophobicContact CG1-CD1 3.99Å; V671-L675 WeakPolarHBondContact O-CB 3.23Å; V671-L675 WeakPolarHBondContact O-CG 3.26Å; V671-L675 PolarHBondContact O-N 3.47Å; A672-L675 PolarHBondContact O-N 3.06Å; L675-Y678 PolarHBondContact O-N 3.12Å; L675-V679 WeakPolarHBondContact O-CG2 3.43Å; L675-V679 PolarHBondContact O-N 3.28Å
676	F	70.9	Confident	68.8	Low	143 Å²	143	118.2 Å²	118.2	63%	0.627	58%	0.579	S	S	*	*	H	α-helix	trans	-64	-44.3	176.7	-168.7	-108.4	0	0	0	111.8	A672 A673 Y678 V679 L680	A672-F676 WeakPolarHBondContact O-CB 3.33Å; A672-F676 PolarHBondContact O-N 3.15Å; A673-F676 PolarHBondContact O-N 2.78Å; F676-Y678 PolarHBondContact O-N 3.03Å; F676-V679 PolarHBondContact O-N 2.92Å; F676-L680 HydrophobicContact CD1-CD1 3.8Å; F676-L680 HydrophobicContact CE1-CD1 3.59Å; F676-L680 HydrophobicContact CE1-CG 4.39Å; F676-L680 HydrophobicContact CZ-CD1 4.24Å; F676-L680 WeakPolarHBondContact O-CG 3.43Å; F676-L680 PolarHBondContact O-N 2.81Å
677	A	68.3	Low	66.6	Low	55 Å²	55	120.8 Å²	120.8	46%	0.455	60%	0.597	S	S	.	*	H	α-helix	trans	-61.8	-41.6	174.1	0	0	0	0	0	112.2	A673 G674 L680 R681	A673-A677 WeakPolarHBondContact O-CB 3.21Å; A673-A677 PolarHBondContact O-N 2.98Å; G674-A677 PolarHBondContact O-N 3.07Å; A677-L680 PolarHBondContact O-N 2.82Å; A677-R681 WeakPolarHBondContact O-CB 3.47Å; A677-R681 PolarHBondContact O-N 2.94Å
678	Y	72.5	Confident	64.9	Low	138 Å²	138	123.7 Å²	123.7	54%	0.541	61%	0.614	S	S	.	*	H	α-helix	trans	-61.5	-46.7	175.5	178.7	-116	0	0	0	112	G674 L675 F676 L680 R681 R682	G674-Y678 WeakPolarHBondContact O-CB 3Å; G674-Y678 PolarHBondContact O-N 3.34Å; L675-Y678 PolarHBondContact O-N 3.12Å; F676-Y678 PolarHBondContact O-N 3.03Å; Y678-L680 PolarHBondContact O-N 3.21Å; Y678-R681 PolarHBondContact O-N 2.81Å; Y678-R682 WeakPolarHBondContact O-CB 3.37Å; Y678-R682 PolarHBondContact O-N 3.5Å
679	V	70.8	Confident	62.3	Low	73 Å²	73	131.2 Å²	131.2	44%	0.442	64%	0.636	S	S	.	*	H	α-helix	trans	-62.2	-42	176.6	170.7	0	0	0	0	111.7	L675 F676 R682 R683	L675-V679 WeakPolarHBondContact O-CG2 3.43Å; L675-V679 PolarHBondContact O-N 3.28Å; F676-V679 PolarHBondContact O-N 2.92Å; V679-R682 PolarHBondContact O-N 3.31Å; V679-R683 PolarHBondContact O-N 3.24Å
680	L	59.4	Low	59.6	Low	82 Å²	82	139.1 Å²	139.1	43%	0.429	66%	0.658	S	S	.	*	H	α-helix	trans	-63.7	-43.3	174.8	-72.8	173.7	0	0	0	112.3	F676 A677 Y678 R682 R683 R684	F676-L680 HydrophobicContact CD1-CD1 3.8Å; F676-L680 HydrophobicContact CE1-CD1 3.59Å; F676-L680 HydrophobicContact CE1-CG 4.39Å; F676-L680 HydrophobicContact CZ-CD1 4.24Å; F676-L680 WeakPolarHBondContact O-CG 3.43Å; F676-L680 PolarHBondContact O-N 2.81Å; A677-L680 PolarHBondContact O-N 2.82Å; Y678-L680 PolarHBondContact O-N 3.21Å; L680-R682 VanDerWaalsContact C-N 3.31Å; L680-R682 PolarHBondContact O-N 3.35Å; L680-R683 PolarHBondContact O-N 2.88Å; L680-R684 PolarHBondContact O-N 3.2Å; L680-R684 VanDerWaalsContact O-N 3.1Å
681	R	55.3	Low	57.3	Low	202 Å²	202	136.9 Å²	136.9	76%	0.762	66%	0.662	S	S	*	*	H	α-helix	trans	-65.2	-34.5	177.2	-154.2	175	-167.2	-172.2	4.2	111.6	A677 Y678	A677-R681 WeakPolarHBondContact O-CB 3.47Å; A677-R681 PolarHBondContact O-N 2.94Å; Y678-R681 PolarHBondContact O-N 2.81Å
682	R	53.2	Low	54.6	Low	178 Å²	178	142.2 Å²	142.2	67%	0.672	68%	0.678	S	S	*	*	H	α-helix	trans	-72.5	-34.9	175.4	-155.1	173.8	-168.6	-168.9	4.9	112.7	Y678 V679 L680	Y678-R682 WeakPolarHBondContact O-CB 3.37Å; Y678-R682 PolarHBondContact O-N 3.5Å; V679-R682 PolarHBondContact O-N 3.31Å; L680-R682 VanDerWaalsContact C-N 3.31Å; L680-R682 PolarHBondContact O-N 3.35Å
683	R	48.7	Very low	52.2	Low	198 Å²	198	150.2 Å²	150.2	75%	0.747	70%	0.695	S	S	*	*	H	α-helix	trans	-71.1	-35.6	174.6	-75.3	-172.7	178.9	-161.4	0.4	113.4	V679 L680 K685 K686	V679-R683 PolarHBondContact O-N 3.24Å; L680-R683 PolarHBondContact O-N 2.88Å; R683-K685 PolarHBondContact O-N 3.17Å; R683-K685 VanDerWaalsContact O-N 3.16Å; R683-K686 PolarHBondContact O-N 3.17Å
684	R	48	Very low	49.8	Very low	229 Å²	229	156.3 Å²	156.3	86%	0.864	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-11.3	179	-77.1	-175.2	176.5	174.4	0	115.2	L680	L680-R684 PolarHBondContact O-N 3.2Å; L680-R684 VanDerWaalsContact O-N 3.1Å
685	K	46.5	Very low	47.4	Very low	186 Å²	186	163.4 Å²	163.4	81%	0.809	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	10.4	178	-71.2	-166.3	174	-169.9	0	115.2	R683	R683-K685 PolarHBondContact O-N 3.17Å; R683-K685 VanDerWaalsContact O-N 3.16Å
686	K	44.2	Very low	45	Very low	190 Å²	190	161.9 Å²	161.9	83%	0.826	75%	0.746	S	S	*	*			trans	-122.7	57.4	-177.5	-72	-161.7	171.9	-166.7	0	114.5	R683	R683-K686 PolarHBondContact O-N 3.17Å
687	L	37.2	Very low	43	Very low	166 Å²	166	161.3 Å²	161.3	87%	0.869	75%	0.754	S	S	*	*			trans	-142.5	128.6	168	-93.7	165.1	0	0	0	109.7
688	P	41.4	Very low	40.9	Very low	118 Å²	118	164.8 Å²	164.8	77%	0.766	76%	0.764	S	S	*	*			trans	-92.8	144.6	-178.4	35.1	-33	0	0	0	112.6
689	F	29.4	Very low	39.2	Very low	217 Å²	217	161.5 Å²	161.5	95%	0.952	76%	0.756	S	S	*	*			trans	-140.7	149.4	161	-125.1	-91.3	0	0	0	111.2
690	R	29.6	Very low	37.4	Very low	237 Å²	237	160.4 Å²	160.4	89%	0.894	75%	0.749	S	S	*	*			trans	-106.3	106.9	-157.3	-169.3	179.4	-174.6	-178.6	2.3	113
691	S	31.6	Very low	35.9	Very low	109 Å²	109	159.5 Å²	159.5	76%	0.762	76%	0.76	S	S	*	*			trans	24.4	123.9	156.3	-168.9	0	0	0	0	120.3
692	K	27	Very low	35	Very low	206 Å²	206	154.2 Å²	154.2	90%	0.896	75%	0.746	S	S	*	*			trans	-143.6	142.7	137.8	-126.9	177.7	-177.2	-178	0	109.8
693	R	28.7	Very low	33.8	Very low	226 Å²	226	153.1 Å²	153.1	85%	0.853	75%	0.749	S	S	*	*			trans	-72.8	139.1	-179.1	-64.9	176.8	178.3	159.6	-3.8	111.5
694	Q	26.5	Very low	32.7	Very low	183 Å²	183	151.2 Å²	151.2	86%	0.855	75%	0.75	S	S	*	*				-156.6	149.7	111.1	-152.4	69.1	0.3	0	0	107.6
695	E	29	Very low	31.8	Very low	191 Å²	191	147.5 Å²	147.5	89%	0.893	74%	0.742	S	S	*	*			trans	-100.2	153.9	-168.5	-68.7	165.2	123.6	0	0	113.5
696	G	27.5	Very low	30.8	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	74%	0.739	S	S	*	*			trans	128.2	136.7	160.2	0	0	0	0	0	116.3
697	V	28	Very low	29.9	Very low	132 Å²	132	141.4 Å²	141.4	80%	0.8	73%	0.73	S	S	*	*			trans	114.6	129.3	152.9	-178.3	0	0	0	0	117.8
698	D	25.3	Very low	29.3	Very low	127 Å²	127	143 Å²	143	68%	0.679	73%	0.725	S	S	*	*			trans	63.3	108.2	158.7	-66.5	-12.2	0	0	0	124.6
699	L	35.3	Very low	28.5	Very low	70 Å²	70	143.8 Å²	143.8	37%	0.366	72%	0.722	S	S	.	*				45.2	113.7	105.6	-68.2	162.7	0	0	0	121
700	T	32.8	Very low	28.4	Very low	49 Å²	49	141.1 Å²	141.1	30%	0.301	71%	0.71	S	S	.	*				79.4	157.9	126.6	71.5	0	0	0	0	122.7	K962 T965	T700-K962 PolarHBondContact OG1-O 3.43Å; T700-K962 VanDerWaalsContact OG1-O 3.12Å; T700-T965 HydrophobicContact CG2-CG2 4.44Å; T700-T965 WeakPolarHBondContact CG2-OG1 3.45Å
701	G	29.9	Very low	28.2	Very low	63 Å²	63	137.7 Å²	137.7	65%	0.649	70%	0.704	S	S	*	*			trans	116.4	84.1	175.1	0	0	0	0	0	113.4
702	I	34.5	Very low	27.9	Very low	91 Å²	91	139.5 Å²	139.5	47%	0.467	71%	0.706	S	S	.	*			cis	99.5	115.6	41.4	-65.2	162.5	0	0	0	113.2	T965	I702-T965 HydrophobicContact CD1-CG2 3.73Å; I702-T965 HydrophobicContact CG1-CG2 4.37Å
703	Q	28.2	Very low	27.8	Very low	156 Å²	156	134.6 Å²	134.6	73%	0.729	70%	0.697	S	S	*	*			trans	59.5	166.7	158.9	-76.7	172.4	-80.2	0	0	118.5
704	M	27.1	Very low	27.6	Very low	157 Å²	157	127.7 Å²	127.7	77%	0.773	70%	0.696	S	S	*	*			cis	-151.7	123.4	20.9	-156	157.6	75.2	0	0	115.2
705	Q	28	Very low	27.7	Very low	152 Å²	152	122.9 Å²	122.9	71%	0.71	70%	0.696	S	S	*	*				22.9	131.8	124.9	-162.1	172.7	6.7	0	0	120.8
706	C	25	Very low	27.8	Very low	110 Å²	110	122 Å²	122	74%	0.743	70%	0.697	S	S	*	*				179.3	146.4	121.4	-110.1	0	0	0	0	117.4
707	H	26.3	Very low	27.8	Very low	137 Å²	137	122.2 Å²	122.2	63%	0.634	70%	0.699	S	S	*	*			trans	54.7	119.6	154.4	-90.3	51.2	0	0	0	120.4
708	R	24.1	Very low	27.9	Very low	199 Å²	199	119.8 Å²	119.8	75%	0.751	70%	0.701	S	S	*	*				63.5	130.6	87.2	-71.4	-165.1	178.2	148.9	-16.8	113.7
709	L	25	Very low	28	Very low	135 Å²	135	117.5 Å²	117.5	71%	0.707	71%	0.707	S	S	*	*				-173.9	156.7	78.7	-86.2	173.2	0	0	0	114.1
710	F	27.4	Very low	27.8	Very low	162 Å²	162	120.6 Å²	120.6	71%	0.711	74%	0.735	S	S	*	*			trans	62.8	141.1	147.3	-80.6	-59.8	0	0	0	125.6
711	E	25.4	Very low	27.6	Very low	165 Å²	165	122.3 Å²	122.3	77%	0.771	76%	0.762	S	S	*	*			trans	63.6	136.2	140.9	-79.4	160.2	-166.1	0	0	120.6
712	D	24.4	Very low	27.6	Very low	147 Å²	147	123.1 Å²	123.1	79%	0.786	77%	0.771	S	S	*	*			cis	-177.3	166.5	-0.2	-166	18.9	0	0	0	109.6
713	S	26	Very low	27.3	Very low	103 Å²	103	123.1 Å²	123.1	72%	0.72	79%	0.793	S	S	*	*			trans	59.4	115.2	146.8	-153.1	0	0	0	0	123.4
714	G	25.1	Very low	27.2	Very low	80 Å²	80	119.5 Å²	119.5	83%	0.825	80%	0.798	S	S	*	*				87.5	104.4	113.4	0	0	0	0	0	119.7
715	G	27.7	Very low	27.4	Very low	83 Å²	83	122.7 Å²	122.7	86%	0.856	80%	0.801	S	S	*	*			trans	-159.4	69.2	174.5	0	0	0	0	0	114.8
716	N	30.3	Very low	28.1	Very low	173 Å²	173	120.8 Å²	120.8	93%	0.925	80%	0.802	S	S	*	*			trans	-78	133.2	176.2	-174.6	17.2	0	0	0	111.6
717	G	28.3	Very low	28.3	Very low	75 Å²	75	120.7 Å²	120.7	77%	0.773	80%	0.798	S	S	*	*			trans	-168.5	98.6	179.2	0	0	0	0	0	113.3
718	G	29.2	Very low	28.5	Very low	82 Å²	82	121.8 Å²	121.8	85%	0.845	81%	0.808	S	S	*	*			trans	-95.3	160	178.6	0	0	0	0	0	114.3
719	G	28.7	Very low	28.5	Very low	78 Å²	78	117.6 Å²	117.6	80%	0.804	81%	0.809	S	S	*	*			trans	-152.2	136.8	171.4	0	0	0	0	0	110.8
720	S	30.8	Very low	28.5	Very low	136 Å²	136	116.4 Å²	116.4	95%	0.951	81%	0.812	S	S	*	*			trans	-122.8	150.1	-171	-68.4	0	0	0	0	113.6
721	G	28.1	Very low	29.5	Very low	85 Å²	85	113.8 Å²	113.8	88%	0.876	81%	0.811	S	S	*	*			trans	150.1	138.1	163.2	0	0	0	0	0	113.2
722	G	29.8	Very low	29.6	Very low	80 Å²	80	112.8 Å²	112.8	83%	0.825	81%	0.806	S	S	*	*			cis	163	129.6	-9.6	0	0	0	0	0	113.4
723	G	28.5	Very low	29.8	Very low	91 Å²	91	113.9 Å²	113.9	94%	0.938	80%	0.804	S	S	*	*			trans	86.3	148.3	174.9	0	0	0	0	0	115
724	G	26.6	Very low	29.7	Very low	80 Å²	80	113.4 Å²	113.4	83%	0.825	81%	0.807	S	S	*	*			cis	-160.6	167	-1.5	0	0	0	0	0	112.6
725	R	30.4	Very low	31.2	Very low	223 Å²	223	115.2 Å²	115.2	84%	0.842	80%	0.803	S	S	*	*			trans	-150.7	150.8	-170.5	-165.9	-171.7	-172.8	-173.3	5.1	111.1
726	P	43	Very low	32.4	Very low	112 Å²	112	116.1 Å²	116.1	73%	0.727	80%	0.795	S	S	*	*			trans	-124.5	134.2	131.5	2.2	19.7	0	0	0	110.1
727	T	29.6	Very low	32.2	Very low	109 Å²	109	114.8 Å²	114.8	67%	0.669	79%	0.792	S	S	*	*				60.6	138.7	67.7	66.7	0	0	0	0	112.7
728	L	29.4	Very low	32.2	Very low	160 Å²	160	114.5 Å²	114.5	84%	0.838	79%	0.79	S	S	*	*			cis	-144.4	151.2	24.4	-158.5	59.8	0	0	0	108.2
729	S	24.5	Very low	32.2	Very low	111 Å²	111	119.5 Å²	119.5	78%	0.776	79%	0.79	S	S	*	*				-172.9	172.4	61.8	53.1	0	0	0	0	113.4
730	S	24.9	Very low	32.1	Very low	110 Å²	110	121.8 Å²	121.8	77%	0.769	79%	0.789	S	S	*	*			trans	-166.4	-166.4	-179.2	68.1	0	0	0	0	108.1
731	P	49.7	Very low	32	Very low	106 Å²	106	125.5 Å²	125.5	69%	0.688	78%	0.783	S	S	*	*			cis	-130.4	-177.3	-21.3	39.4	-23.6	0	0	0	113
732	E	27.2	Very low	31.8	Very low	144 Å²	144	129.6 Å²	129.6	67%	0.673	78%	0.78	S	S	*	*				177.2	148.3	117.2	-94.8	-132.7	111.4	0	0	116
733	K	27.1	Very low	31.7	Very low	171 Å²	171	134.8 Å²	134.8	74%	0.743	78%	0.776	S	S	*	*			trans	60.4	130.3	151.3	-71.3	178.5	171	78.8	0	123.2
734	A	25	Very low	31.9	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	76%	0.758	S	S	*	*			trans	-159.3	177	155.5	0	0	0	0	0	106.4
735	P	56.2	Low	32.1	Very low	117 Å²	117	137.8 Å²	137.8	76%	0.76	76%	0.757	S	S	*	*			cis	-119.7	-133.5	-16	34.4	-10.9	0	0	0	107.9
736	P	52.1	Low	32.1	Very low	103 Å²	103	135.1 Å²	135.1	67%	0.669	75%	0.753	S	S	*	*			cis	-138.6	-173.1	-19.1	28.8	-3.5	0	0	0	116.5
737	V	27.7	Very low	32	Very low	144 Å²	144	135.3 Å²	135.3	87%	0.873	76%	0.755	S	S	*	*			trans	81.8	127.5	158	-162.2	0	0	0	0	119.4
738	G	26.8	Very low	31.8	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	76%	0.761	S	S	*	*			trans	155.6	123.4	163.4	0	0	0	0	0	113.3
739	H	29.2	Very low	31.8	Very low	186 Å²	186	134.4 Å²	134.4	86%	0.861	76%	0.756	S	S	*	*			trans	-125.4	174.6	-177.3	-72.6	-96.2	0	0	0	112.5
740	V	27.6	Very low	31.9	Very low	127 Å²	127	137.3 Å²	137.3	77%	0.77	76%	0.757	S	S	*	*			trans	99.1	87.2	154.6	-169.5	0	0	0	0	119.1
741	Y	28	Very low	31.8	Very low	213 Å²	213	139.5 Å²	139.5	84%	0.835	76%	0.757	S	S	*	*				70.4	148.6	119.6	-85.5	-75.4	0	0	0	127
742	E	23.9	Very low	30.5	Very low	171 Å²	171	139 Å²	139	80%	0.799	76%	0.755	S	S	*	*			trans	68.9	155.1	151.5	-72.9	-172.2	151.9	0	0	122.1
743	Y	27.7	Very low	30.3	Very low	189 Å²	189	139.2 Å²	139.2	74%	0.741	76%	0.761	S	S	*	*			cis	-164.5	157.6	-39.7	-150.9	-138.9	0	0	0	111.5
744	I	33.3	Very low	30.6	Very low	113 Å²	113	137.5 Å²	137.5	58%	0.579	76%	0.76	S	S	*	*			trans	9.5	134.6	150.4	-74.1	-170.6	0	0	0	119.7
745	P	29.9	Very low	30.8	Very low	122 Å²	122	138.7 Å²	138.7	79%	0.792	76%	0.76	S	S	*	*				-149.9	160.2	94.3	42.7	-25.1	0	0	0	120.4
746	H	31.5	Very low	29.6	Very low	166 Å²	166	139.3 Å²	139.3	77%	0.769	76%	0.755	S	S	*	*			trans	-71.5	-176.8	156.1	-79.8	76.5	0	0	0	110
747	P	40.1	Very low	28.3	Very low	116 Å²	116	145 Å²	145	75%	0.753	77%	0.765	S	S	*	*			cis	-161	-156.9	38.6	38.3	-9.2	0	0	0	119.2
748	V	25.8	Very low	28.1	Very low	132 Å²	132	147.1 Å²	147.1	80%	0.8	76%	0.762	S	S	*	*			trans	95.8	148.7	158.6	-157.6	0	0	0	0	118.7
749	T	28.7	Very low	29.2	Very low	119 Å²	119	149 Å²	149	73%	0.73	76%	0.762	S	S	*	*			trans	-113.4	154.2	-168.6	52.5	0	0	0	0	113.3
750	Q	26.7	Very low	28.9	Very low	172 Å²	172	149.6 Å²	149.6	80%	0.804	76%	0.756	S	S	*	*				176.9	137.7	116.4	-97.3	-175.7	3.2	0	0	115.5
751	M	22.8	Very low	28.7	Very low	155 Å²	155	149.3 Å²	149.3	76%	0.764	75%	0.747	S	S	*	*			trans	58.2	135	143.2	-66.1	-175.6	64.8	0	0	124.9
752	C	23.4	Very low	28.6	Very low	96 Å²	96	147.8 Å²	147.8	65%	0.649	75%	0.747	S	S	*	*			trans	93.5	119.3	140.2	-86.7	0	0	0	0	123.3
753	N	23.1	Very low	28.7	Very low	148 Å²	148	149.6 Å²	149.6	79%	0.791	76%	0.756	S	S	*	*			trans	75.3	110.3	139	-59.6	1.8	0	0	0	120.7
754	N	33.9	Very low	28.5	Very low	135 Å²	135	149 Å²	149	72%	0.722	76%	0.76	S	S	*	*			trans	-98.5	141	150	179.7	12	0	0	0	108.5
755	P	29.3	Very low	28.2	Very low	119 Å²	119	149.9 Å²	149.9	77%	0.773	77%	0.77	S	S	*	*			trans	-134.3	154.7	143.6	37.1	-25.4	0	0	0	114.4
756	I	30	Very low	28	Very low	130 Å²	130	148.9 Å²	148.9	67%	0.667	77%	0.772	S	S	*	*			trans	-112.8	130.1	-173.5	-76.6	175.9	0	0	0	110.2
757	Y	25.9	Very low	27.7	Very low	221 Å²	221	146 Å²	146	87%	0.867	78%	0.777	S	S	*	*			trans	69	154.2	170.4	-77.4	-135.6	0	0	0	114.7
758	K	23.3	Very low	27.1	Very low	189 Å²	189	146 Å²	146	82%	0.822	78%	0.78	S	S	*	*			cis	-146.7	-156.8	39.3	-142.8	-171.1	-178.8	-179	0	112
759	P	48.5	Very low	27.1	Very low	109 Å²	109	144.2 Å²	144.2	71%	0.708	78%	0.779	S	S	*	*				-121.2	175.6	-125.4	43.4	-26.7	0	0	0	116.7
760	R	23.4	Very low	27	Very low	199 Å²	199	144.8 Å²	144.8	75%	0.751	78%	0.782	S	S	*	*			trans	-157.8	133.5	153.2	-109.6	-172.8	136.2	85.6	15.6	109.4
761	E	24.2	Very low	27	Very low	122 Å²	122	144.5 Å²	144.5	57%	0.57	78%	0.781	S	S	*	*				63.2	106.8	103.7	-76	165.4	-138.9	0	0	112.8
762	E	25.2	Very low	27.2	Very low	181 Å²	181	144.1 Å²	144.1	85%	0.846	78%	0.777	S	S	*	*				83.5	103.5	84	-81.4	-179.2	-169.1	0	0	112.8
763	E	24.9	Very low	27.3	Very low	208 Å²	208	145.6 Å²	145.6	97%	0.972	78%	0.783	S	S	*	*				-166.5	173.9	127.3	-113.8	-177	159.2	0	0	111.4
764	E	24.4	Very low	27.5	Very low	178 Å²	178	142 Å²	142	83%	0.832	78%	0.781	S	S	*	*			trans	-132	176.5	-160.1	-166	-177.2	-131	0	0	112
765	V	26.9	Very low	27.2	Very low	130 Å²	130	140.2 Å²	140.2	79%	0.788	79%	0.785	S	S	*	*			trans	83.7	159.5	162	-168.3	0	0	0	0	117.4
766	A	25.3	Very low	27.3	Very low	102 Å²	102	139 Å²	139	84%	0.843	79%	0.785	S	S	*	*			trans	92.5	105.4	168.6	0	0	0	0	0	117.7
767	A	26.8	Very low	27.2	Very low	104 Å²	104	139.4 Å²	139.4	86%	0.86	78%	0.784	S	S	*	*			trans	-116.2	150.1	178.9	0	0	0	0	0	113
768	S	25.7	Very low	27.4	Very low	117 Å²	117	139.4 Å²	139.4	82%	0.818	78%	0.783	S	S	*	*			trans	-164	119.1	155.2	57	0	0	0	0	108.3
769	A	26.3	Very low	27.5	Very low	94 Å²	94	134.1 Å²	134.1	78%	0.777	78%	0.782	S	S	*	*			cis	87.3	86.2	27.2	0	0	0	0	0	116
770	T	27	Very low	26.2	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	79%	0.791	S	S	*	*			trans	-165.3	122.1	144	36.2	0	0	0	0	106.8
771	Q	26.3	Very low	27.2	Very low	165 Å²	165	131.8 Å²	131.8	77%	0.771	79%	0.794	S	S	*	*				61.4	132.9	64.2	-85.1	-166.7	-66.5	0	0	113.6
772	E	26.8	Very low	27.3	Very low	148 Å²	148	129.1 Å²	129.1	69%	0.692	80%	0.8	S	S	*	*			cis	-142.3	-170.7	6.7	-95.3	-88.6	45	0	0	108.9
773	T	26.3	Very low	27.5	Very low	126 Å²	126	127.7 Å²	127.7	77%	0.773	80%	0.803	S	S	*	*			cis	-146	140.3	15.7	55.4	0	0	0	0	113.4
774	G	26.7	Very low	27.5	Very low	72 Å²	72	126.9 Å²	126.9	74%	0.742	80%	0.8	S	S	*	*			trans	62.9	155.2	140.9	0	0	0	0	0	122.6
775	A	28.8	Very low	29.2	Very low	98 Å²	98	123.3 Å²	123.3	81%	0.81	79%	0.792	S	S	*	*			cis	-166.4	151.6	-12.5	0	0	0	0	0	112.4
776	A	30.2	Very low	30.1	Very low	94 Å²	94	123.4 Å²	123.4	78%	0.777	80%	0.795	S	S	*	*			trans	64.5	144.9	153.8	0	0	0	0	0	120.2
777	E	28.7	Very low	30.3	Very low	138 Å²	138	121.5 Å²	121.5	65%	0.645	79%	0.786	S	S	*	*			cis	-164.8	157.1	-9	-129	-175.4	-167.4	0	0	113.2
778	R	29.6	Very low	30.3	Very low	222 Å²	222	126.5 Å²	126.5	84%	0.838	79%	0.794	S	S	*	*			trans	66.4	140.8	162.1	-55.7	166.5	-151.9	-153.4	1	117.9
779	G	25.5	Very low	30.4	Very low	78 Å²	78	124.1 Å²	124.1	80%	0.804	79%	0.787	S	S	*	*			cis	-172.4	159	-4	0	0	0	0	0	113.4
780	C	22	Very low	30.4	Very low	131 Å²	131	129.3 Å²	129.3	89%	0.885	80%	0.796	S	S	*	*			trans	-103	177.6	-177.7	-112.9	0	0	0	0	111.6
781	P	42.6	Very low	30.4	Very low	127 Å²	127	125.9 Å²	125.9	83%	0.825	79%	0.786	S	S	*	*			cis	-132	171.4	34.9	42.5	-24.7	0	0	0	115.3
782	G	27.9	Very low	30.5	Very low	67 Å²	67	125.8 Å²	125.8	69%	0.691	79%	0.79	S	S	*	*				105.8	144.3	80.2	0	0	0	0	0	110.1
783	T	27.8	Very low	30.5	Very low	150 Å²	150	126.5 Å²	126.5	92%	0.92	80%	0.798	S	S	*	*			cis	-145.4	-169.5	21.4	49.4	0	0	0	0	112.7
784	Q	25.7	Very low	30.5	Very low	191 Å²	191	124 Å²	124	89%	0.893	80%	0.797	S	S	*	*			trans	-120.8	-170.1	-169.5	-119	-155.8	-11.5	0	0	113.4
785	P	61.1	Low	30.4	Very low	103 Å²	103	125.1 Å²	125.1	67%	0.669	79%	0.794	S	S	*	*			trans	-102.4	-172.7	-146.1	45	-40	0	0	0	115.4
786	P	45.3	Very low	30.3	Very low	132 Å²	132	128.5 Å²	128.5	86%	0.857	79%	0.793	S	S	*	*				-140.2	-179.1	98.7	37.2	-22.2	0	0	0	112.8
787	G	28.9	Very low	30	Very low	63 Å²	63	131.4 Å²	131.4	65%	0.649	79%	0.79	S	S	*	*			cis	149	159.6	-4.8	0	0	0	0	0	112.2
788	M	26.5	Very low	29.8	Very low	209 Å²	209	133.8 Å²	133.8	100%	1.03	80%	0.799	S	S	*	*			trans	67.5	148.2	-178.6	-56.5	175.9	173.6	0	0	116.6
789	G	27.5	Very low	29.5	Very low	66 Å²	66	127 Å²	127	68%	0.68	79%	0.79	S	S	*	*			cis	158.7	134.5	-11.5	0	0	0	0	0	113.8
790	E	27.4	Very low	29.4	Very low	204 Å²	204	132.1 Å²	132.1	95%	0.953	79%	0.793	S	S	*	*			trans	58.1	153	159.6	-56.4	-178	144.9	0	0	118.8
791	G	27.1	Very low	29.6	Very low	59 Å²	59	132.2 Å²	132.2	61%	0.608	79%	0.79	S	S	*	*			cis	165.2	174.7	-5.4	0	0	0	0	0	111.4
792	L	27.9	Very low	29.3	Very low	163 Å²	163	131 Å²	131	85%	0.853	78%	0.782	S	S	*	*			trans	64.9	157.5	169	-70.4	94.8	0	0	0	118
793	L	26.8	Very low	29.1	Very low	164 Å²	164	136.2 Å²	136.2	86%	0.859	79%	0.785	S	S	*	*			cis	-165.2	156.1	-37.4	-151.9	103.1	0	0	0	107.4
794	G	25.5	Very low	29	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	77%	0.774	S	S	*	*			trans	164.4	108.9	169.1	0	0	0	0	0	116.3
795	S	26.1	Very low	29.1	Very low	96 Å²	96	133 Å²	133	67%	0.671	76%	0.764	S	S	*	*			trans	-83.9	-179.4	160.8	56.3	0	0	0	0	109.9
796	E	26.3	Very low	27.5	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	77%	0.772	S	S	*	*			cis	-158	-175.7	22.2	-147.4	135.5	-100.6	0	0	113.1
797	Q	23.7	Very low	26.8	Very low	156 Å²	156	135.1 Å²	135.1	73%	0.729	77%	0.765	S	S	*	*			trans	-85.8	164	-167.8	-59.8	153.4	-21.6	0	0	114.3
798	F	24.1	Very low	26.8	Very low	187 Å²	187	138.5 Å²	138.5	82%	0.82	77%	0.768	S	S	*	*				171.7	149.1	110.4	-106.2	-86.4	0	0	0	114.2
799	A	24.2	Very low	27	Very low	79 Å²	79	140 Å²	140	65%	0.653	76%	0.764	S	S	*	*			trans	34	151.6	148.3	0	0	0	0	0	122.9
800	E	22.7	Very low	27.5	Very low	187 Å²	187	145.6 Å²	145.6	87%	0.874	76%	0.764	S	S	*	*			cis	-158.9	-177.8	-6.8	-117.9	176.5	158.7	0	0	110.7
801	T	26.8	Very low	28.4	Very low	132 Å²	132	140.5 Å²	140.5	81%	0.81	75%	0.747	S	S	*	*			trans	-103.6	170.6	-176.5	73.8	0	0	0	0	111.3
802	P	36.4	Very low	28.8	Very low	102 Å²	102	144.8 Å²	144.8	66%	0.662	76%	0.755	S	S	*	*			cis	-155.6	169.5	45.2	43.6	-21.2	0	0	0	121.2
803	K	24.3	Very low	29.5	Very low	176 Å²	176	142.5 Å²	142.5	77%	0.765	74%	0.743	S	S	*	*			trans	67	154.9	152.3	-75.3	163.8	166	-113.2	0	118.8
804	E	25.7	Very low	30.3	Very low	144 Å²	144	138.9 Å²	138.9	67%	0.673	72%	0.722	S	S	*	*			cis	-149.3	164.8	1	-138	154.6	-125	0	0	113.8
805	N	26.6	Very low	31.1	Very low	130 Å²	130	142.4 Å²	142.4	70%	0.695	72%	0.717	S	S	*	*			trans	-18.2	141.8	175.4	-57.1	-22.6	0	0	0	119.9
806	H	28.7	Very low	31.9	Very low	179 Å²	179	143.9 Å²	143.9	83%	0.829	71%	0.713	S	S	*	*				-163.6	153.6	71.5	-108.3	-78.9	0	0	0	115.6
807	S	29.3	Very low	32.5	Very low	101 Å²	101	143 Å²	143	71%	0.706	71%	0.706	S	S	*	*			trans	-135.8	148.7	175.2	57.9	0	0	0	0	111.7
808	N	29.6	Very low	33.3	Very low	133 Å²	133	141 Å²	141	71%	0.711	70%	0.697	S	S	*	*			trans	-164.4	99.3	163	-104.4	-32.5	0	0	0	113.4
809	Y	30.9	Very low	33.9	Very low	242 Å²	242	142.1 Å²	142.1	95%	0.949	70%	0.696	S	S	*	*			trans	-141.5	127.1	154.1	-77.1	-73.6	0	0	0	107.9
810	R	38.1	Very low	34.5	Very low	183 Å²	183	142.2 Å²	142.2	69%	0.691	70%	0.697	S	S	*	*			trans	-94.7	156.8	-175.6	-77	-169.4	-177.2	177.2	-1.7	112.4	E814	R810-E814 WeakPolarHBondContact CA-OE2 3.43Å; R810-E814 VanDerWaalsContact CB-OE2 3.22Å; R810-E814 WeakPolarHBondContact CB-OE2 3.34Å; R810-E814 WeakPolarHBondContact CG-OE2 3.34Å
811	T	45.3	Very low	35.1	Very low	96 Å²	96	140.2 Å²	140.2	59%	0.589	69%	0.691	S	S	*	*			trans	-102.9	155	-178.4	61.7	0	0	0	0	112.4	L813 E814	T811-L813 PolarHBondContact O-N 3.26Å; T811-E814 PolarHBondContact N-OE2 3.2Å; T811-E814 PolarHBondContact O-N 2.86Å; T811-E814 VanDerWaalsContact O-N 3.1Å
812	L	36.6	Very low	35.6	Very low	150 Å²	150	138 Å²	138	79%	0.785	69%	0.687	S	S	*	*	H	α-helix	trans	-61.2	-30.6	-170.4	-147.3	130.3	0	0	0	113.2	E814 K815	L812-E814 PolarHBondContact O-N 3.02Å; L812-K815 PolarHBondContact O-N 3.4Å
813	L	41.2	Very low	35.7	Very low	114 Å²	114	139.6 Å²	139.6	60%	0.597	69%	0.694	S	S	*	*	H	α-helix	trans	-66	-17	178.7	-163.2	70.2	0	0	0	114	T811	T811-L813 PolarHBondContact O-N 3.26Å
814	E	44.9	Very low	36	Very low	89 Å²	89	136 Å²	136	42%	0.416	69%	0.691	S	S	.	*	H	α-helix	trans	-76.5	-30	175	-66.2	175.8	99.6	0	0	111.8	R810 T811 L812 K817	R810-E814 WeakPolarHBondContact CA-OE2 3.43Å; R810-E814 VanDerWaalsContact CB-OE2 3.22Å; R810-E814 WeakPolarHBondContact CB-OE2 3.34Å; R810-E814 WeakPolarHBondContact CG-OE2 3.34Å; T811-E814 PolarHBondContact N-OE2 3.2Å; T811-E814 PolarHBondContact O-N 2.86Å; T811-E814 VanDerWaalsContact O-N 3.1Å; L812-E814 PolarHBondContact O-N 3.02Å; E814-K817 PolarHBondContact O-N 2.03Å
815	K	40.8	Very low	36	Very low	147 Å²	147	137.2 Å²	137.2	64%	0.639	70%	0.702	S	S	*	*	H	α-helix	trans	-72.4	-33.5	-178.4	-100.1	-172.1	171.6	-174.3	0	113.8	L812 K817 E818 W819	L812-K815 PolarHBondContact O-N 3.4Å; K815-K817 PolarHBondContact O-N 2.69Å; K815-E818 PolarHBondContact O-N 3.34Å; K815-W819 PolarHBondContact O-N 3.43Å
816	E	43.5	Very low	36.1	Very low	127 Å²	127	136.8 Å²	136.8	59%	0.593	71%	0.709	S	S	*	*	H	α-helix	trans	-64.4	-31.3	177	-65.6	-177.8	120	0	0	111.8	W819 A820	E816-W819 PolarHBondContact O-N 3.08Å; E816-A820 PolarHBondContact O-N 3.3Å
817	K	40	Very low	36	Very low	149 Å²	149	136.6 Å²	136.6	65%	0.648	71%	0.709	S	S	*	*	H	α-helix	trans	-73.7	-30.4	179.6	-69.5	-175.4	177.1	179.7	0	113.8	E814 K815	E814-K817 PolarHBondContact O-N 2.03Å; K815-K817 PolarHBondContact O-N 2.69Å
818	E	39.7	Very low	36	Very low	115 Å²	115	138.1 Å²	138.1	54%	0.537	71%	0.708	S	S	.	*	H	α-helix	trans	-70.2	-37.6	174.2	-69.6	-180	156.4	0	0	111.3	K815 L821	K815-E818 PolarHBondContact O-N 3.34Å; E818-L821 PolarHBondContact O-N 3.25Å
819	W	37.5	Very low	35.9	Very low	210 Å²	210	138.6 Å²	138.6	80%	0.795	71%	0.711	S	S	*	*	H	α-helix	trans	-71.6	-37.3	-179.1	-80.5	54.3	0	0	0	113.1	K815 E816 L821 A822	K815-W819 PolarHBondContact O-N 3.43Å; E816-W819 PolarHBondContact O-N 3.08Å; W819-L821 PolarHBondContact O-N 3.1Å; W819-A822 PolarHBondContact O-N 2.82Å
820	A	36.4	Very low	35.8	Very low	81 Å²	81	133 Å²	133	67%	0.669	70%	0.702	S	S	*	*	H	α-helix	trans	-63.7	-21.4	175.9	0	0	0	0	0	113.8	E816	E816-A820 PolarHBondContact O-N 3.3Å
821	L	35.2	Very low	35.1	Very low	145 Å²	145	132.4 Å²	132.4	76%	0.759	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-8.9	-176	-113.6	155.8	0	0	0	114.1	E818 W819	E818-L821 PolarHBondContact O-N 3.25Å; W819-L821 PolarHBondContact O-N 3.1Å
822	A	36.4	Very low	34.2	Very low	86 Å²	86	133.1 Å²	133.1	71%	0.711	72%	0.715	S	S	*	*	S	Bend	trans	-91.8	-8.8	-173.7	0	0	0	0	0	115.2	W819	W819-A822 PolarHBondContact O-N 2.82Å
823	V	38.3	Very low	33.5	Very low	134 Å²	134	131.7 Å²	131.7	81%	0.812	71%	0.712	S	S	*	*	S	Bend	trans	-113.3	-5.1	-170.5	-172.5	0	0	0	0	113.1
824	S	30.5	Very low	32.8	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	72%	0.717	S	S	*	*			trans	-117.2	73	-177.6	-159.7	0	0	0	0	112.4
825	N	26.9	Very low	31.7	Very low	170 Å²	170	133.1 Å²	133.1	91%	0.909	73%	0.727	S	S	*	*			trans	-163	68	159.4	-114	-25.4	0	0	0	114.5
826	S	28.5	Very low	30.9	Very low	120 Å²	120	133.3 Å²	133.3	84%	0.839	73%	0.73	S	S	*	*			trans	-151.5	131.5	149.3	53.7	0	0	0	0	111.3
827	Q	27	Very low	29.9	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	74%	0.74	S	S	*	*			trans	-109.2	170.3	163.7	-61.5	-171.1	-5.4	0	0	107.1
828	L	29.2	Very low	29.3	Very low	133 Å²	133	136.3 Å²	136.3	70%	0.696	75%	0.746	S	S	*	*			cis	-144.1	162.2	24.5	-88.3	90.8	0	0	0	113.2
829	N	27.6	Very low	28.9	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	76%	0.757	S	S	*	*			trans	67	117.2	143.4	-66.7	3.5	0	0	0	122.8
830	T	27.2	Very low	28.3	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	76%	0.755	S	S	*	*			trans	-64.2	145.1	144.9	24	0	0	0	0	113.3
831	I	25.5	Very low	28.9	Very low	171 Å²	171	135.2 Å²	135.2	88%	0.877	75%	0.754	S	S	*	*			trans	-131.8	156	139.4	-67.5	-171.8	0	0	0	106.9
832	V	24.5	Very low	28.4	Very low	110 Å²	110	135.9 Å²	135.9	67%	0.667	75%	0.753	S	S	*	*			trans	-116.2	171.6	-160.4	166.5	0	0	0	0	111.8
833	T	23.3	Very low	28	Very low	120 Å²	120	139.2 Å²	139.2	74%	0.736	75%	0.754	S	S	*	*			trans	83.1	105.1	159.4	31.5	0	0	0	0	121.1
834	V	25.5	Very low	27.3	Very low	115 Å²	115	137 Å²	137	70%	0.697	74%	0.744	S	S	*	*				92.8	123.1	112.8	160.8	0	0	0	0	121.4
835	N	22.3	Very low	27.1	Very low	119 Å²	119	137.8 Å²	137.8	64%	0.636	75%	0.745	S	S	*	*			trans	66	148.2	152.6	-71.9	5.5	0	0	0	119.5
836	H	23.5	Very low	27.1	Very low	150 Å²	150	138 Å²	138	69%	0.694	74%	0.744	S	S	*	*			cis	-161.5	-171.3	-8.1	-119.7	-5.4	0	0	0	110.3
837	H	23.9	Very low	27	Very low	171 Å²	171	135.9 Å²	135.9	79%	0.792	74%	0.741	S	S	*	*			trans	84.1	96.5	160.2	-66.2	-8.7	0	0	0	119.8
838	H	25.9	Very low	27	Very low	168 Å²	168	130.8 Å²	130.8	78%	0.778	74%	0.736	S	S	*	*				-46.9	152.2	122.4	-87	-56.9	0	0	0	111.2
839	P	31.5	Very low	26.9	Very low	120 Å²	120	131 Å²	131	78%	0.779	74%	0.743	S	S	*	*				-149.6	177.5	56.7	41.7	-21.4	0	0	0	119.3
840	H	24.6	Very low	26.9	Very low	163 Å²	163	130 Å²	130	76%	0.755	75%	0.747	S	S	*	*			trans	-60.7	175.1	157.6	-78.9	-71.9	0	0	0	112.7
841	P	49.8	Very low	27	Very low	100 Å²	100	127.7 Å²	127.7	65%	0.649	75%	0.748	S	S	*	*				-137.3	-142.3	-74.4	37.3	-13.9	0	0	0	110.7
842	H	25.6	Very low	27.2	Very low	160 Å²	160	126.8 Å²	126.8	74%	0.741	75%	0.751	S	S	*	*			trans	82	148.1	161.3	-81.8	-73.7	0	0	0	122
843	H	26.3	Very low	27.4	Very low	155 Å²	155	125.2 Å²	125.2	72%	0.718	76%	0.756	S	S	*	*			trans	68.9	75.6	149.7	-79.9	-64.8	0	0	0	123
844	S	24.9	Very low	27.7	Very low	87 Å²	87	123.4 Å²	123.4	61%	0.608	76%	0.761	S	S	*	*				68.3	149.1	106.9	64.2	0	0	0	0	123.9
845	T	25.4	Very low	28	Very low	118 Å²	118	121.3 Å²	121.3	72%	0.724	76%	0.763	S	S	*	*			trans	90.3	131.9	145.1	19.6	0	0	0	0	122
846	I	26.9	Very low	28.4	Very low	175 Å²	175	122.8 Å²	122.8	90%	0.897	78%	0.776	S	S	*	*			trans	73.3	141.1	158.3	-57.6	156.5	0	0	0	115.5
847	G	26.1	Very low	28.8	Very low	75 Å²	75	119.1 Å²	119.1	77%	0.773	78%	0.78	S	S	*	*			trans	-172.3	-65.5	-178.6	0	0	0	0	0	116.9
848	G	26.8	Very low	29.4	Very low	70 Å²	70	115.8 Å²	115.8	72%	0.722	78%	0.782	S	S	*	*			trans	79.6	137.3	162.2	0	0	0	0	0	121
849	V	28.3	Very low	29.7	Very low	137 Å²	137	115 Å²	115	83%	0.83	78%	0.783	S	S	*	*			trans	68.9	124.6	140	-134.9	0	0	0	0	122.8
850	S	27.4	Very low	29.6	Very low	120 Å²	120	117.2 Å²	117.2	84%	0.839	79%	0.788	S	S	*	*			trans	65.2	147.3	144	55.8	0	0	0	0	122.2
851	G	29.1	Very low	29.8	Very low	78 Å²	78	114.4 Å²	114.4	80%	0.804	79%	0.793	S	S	*	*			trans	171.6	45	172.9	0	0	0	0	0	117.8	G853	G851-G853 PolarHBondContact O-N 3.32Å
852	V	29.6	Very low	28.6	Very low	152 Å²	152	113.1 Å²	113.1	92%	0.921	80%	0.797	S	S	*	*			trans	-54.5	123.4	-172.9	174.7	0	0	0	0	116.8
853	G	29	Very low	28.8	Very low	76 Å²	76	114.5 Å²	114.5	78%	0.784	80%	0.801	S	S	*	*				89.7	151.3	120.4	0	0	0	0	0	122.9	G851	G851-G853 PolarHBondContact O-N 3.32Å
854	G	29.2	Very low	28.9	Very low	82 Å²	82	116.4 Å²	116.4	85%	0.845	80%	0.802	S	S	*	*			trans	128.9	83.7	137.1	0	0	0	0	0	122.3
855	G	31	Very low	29.2	Very low	71 Å²	71	118.1 Å²	118.1	73%	0.732	80%	0.8	S	S	*	*			trans	63.4	179.2	144.6	0	0	0	0	0	121.1
856	T	31.9	Very low	29.4	Very low	150 Å²	150	118.8 Å²	118.8	92%	0.92	80%	0.795	S	S	*	*			cis	-173.4	146.4	-23.2	22.6	0	0	0	0	110.5
857	G	31.8	Very low	29.5	Very low	74 Å²	74	117 Å²	117	76%	0.763	78%	0.783	S	S	*	*			trans	86.4	135.3	168.6	0	0	0	0	0	115.1
858	A	36.3	Very low	29.8	Very low	101 Å²	101	120.6 Å²	120.6	84%	0.835	78%	0.777	S	S	*	*			cis	80.6	141.7	48.1	0	0	0	0	0	112.6
859	D	31.2	Very low	30	Very low	152 Å²	152	124.7 Å²	124.7	81%	0.813	78%	0.783	S	S	*	*			cis	-162.5	-170.8	16.9	-151.4	-18.8	0	0	0	112.9
860	L	29.7	Very low	29.9	Very low	166 Å²	166	121.9 Å²	121.9	87%	0.869	78%	0.781	S	S	*	*			trans	91.6	153.1	154.9	-72.7	159.2	0	0	0	121.9
861	A	30	Very low	29.9	Very low	104 Å²	104	119.7 Å²	119.7	86%	0.86	78%	0.777	S	S	*	*			trans	-136.6	-179.8	-153.5	0	0	0	0	0	115
862	G	25.1	Very low	29.8	Very low	72 Å²	72	122.3 Å²	122.3	74%	0.742	78%	0.778	S	S	*	*			trans	-157.8	162	176.3	0	0	0	0	0	114.1
863	F	28.3	Very low	29.7	Very low	189 Å²	189	120.2 Å²	120.2	83%	0.829	77%	0.765	S	S	*	*			trans	-139.7	146.1	-164.8	-105.6	-71.8	0	0	0	114.6
864	R	29	Very low	29.6	Very low	196 Å²	196	124.7 Å²	124.7	74%	0.74	77%	0.77	S	S	*	*			trans	66.1	160.8	154.6	-75.1	165.6	-173.9	-128.6	11.9	116.7
865	H	30.8	Very low	29.4	Very low	122 Å²	122	129.4 Å²	129.4	57%	0.565	77%	0.768	S	S	*	*			cis	-157.3	-174.2	-2.1	-114.9	-33.5	0	0	0	107.4
866	H	29.9	Very low	31	Very low	133 Å²	133	131 Å²	131	62%	0.616	77%	0.765	S	S	*	*			cis	-163	148.8	2.1	-124.9	-58.3	0	0	0	109
867	E	30	Very low	32	Very low	138 Å²	138	130.2 Å²	130.2	65%	0.645	76%	0.762	S	S	*	*			trans	64.6	156	154.1	-60	-158.5	140.5	0	0	119.5
868	K	31.7	Very low	31.8	Very low	149 Å²	149	130.6 Å²	130.6	65%	0.648	77%	0.766	S	S	*	*			cis	-165.4	175.7	-4	-113.1	163.5	-177.8	148.5	0	105.9
869	N	31.7	Very low	31.4	Very low	157 Å²	157	129.5 Å²	129.5	84%	0.84	77%	0.765	S	S	*	*			cis	-170	155.5	-40.3	-99.8	19.9	0	0	0	105.3
870	G	26	Very low	31.2	Very low	77 Å²	77	126 Å²	126	79%	0.794	76%	0.764	S	S	*	*			cis	-136.3	-166.1	-5.3	0	0	0	0	0	109.9
871	G	26.9	Very low	31.1	Very low	74 Å²	74	124.5 Å²	124.5	76%	0.763	77%	0.766	S	S	*	*			cis	98.4	138.2	42.5	0	0	0	0	0	109.2
872	V	26.7	Very low	31	Very low	134 Å²	134	123.3 Å²	123.3	81%	0.812	77%	0.765	S	S	*	*			cis	-156.1	121.1	13.8	171.6	0	0	0	0	105.6
873	V	28	Very low	31.2	Very low	108 Å²	108	123.8 Å²	123.8	66%	0.655	77%	0.77	S	S	*	*				66.3	129.9	78.4	171.7	0	0	0	0	115.7	F875	V873-F875 HydrophobicContact CG1-CD2 4.27Å; V873-F875 HydrophobicContact CG1-CE2 4.33Å
874	L	26	Very low	31.2	Very low	169 Å²	169	118.7 Å²	118.7	89%	0.885	77%	0.77	S	S	*	*			trans	-168.6	166.2	132.3	-102.8	169.6	0	0	0	112.1
875	F	26.3	Very low	31.2	Very low	182 Å²	182	114.3 Å²	114.3	80%	0.798	77%	0.77	S	S	*	*			trans	-127.3	167.1	-160	-86.1	-86.1	0	0	0	114.3	V873	V873-F875 HydrophobicContact CG1-CD2 4.27Å; V873-F875 HydrophobicContact CG1-CE2 4.33Å
876	P	64.3	Low	31	Very low	105 Å²	105	116.1 Å²	116.1	68%	0.682	78%	0.78	S	S	*	*			trans	-90.5	-168.9	159.4	41.4	-33.1	0	0	0	110.6
877	P	51.5	Low	30.9	Very low	132 Å²	132	116.8 Å²	116.8	86%	0.857	79%	0.787	S	S	*	*				-159.2	-178.8	89.8	41.9	-21.6	0	0	0	117.2
878	G	28.6	Very low	30.7	Very low	82 Å²	82	116.6 Å²	116.6	85%	0.845	79%	0.79	S	S	*	*			trans	129.7	138.2	154.4	0	0	0	0	0	115.3
879	G	27.6	Very low	30.4	Very low	79 Å²	79	116 Å²	116	81%	0.814	79%	0.794	S	S	*	*			cis	-164.2	149.7	-7.9	0	0	0	0	0	108.4
880	G	27.8	Very low	30.2	Very low	77 Å²	77	117.6 Å²	117.6	79%	0.794	79%	0.788	S	S	*	*				94.1	131.8	72.4	0	0	0	0	0	109.9
881	C	27.8	Very low	30.1	Very low	135 Å²	135	121 Å²	121	91%	0.912	78%	0.784	S	S	*	*			cis	-145.5	-178.6	2	-74.6	0	0	0	0	108.1
882	G	27.9	Very low	30.2	Very low	80 Å²	80	128.3 Å²	128.3	83%	0.825	79%	0.788	S	S	*	*			cis	111.8	131.1	12.1	0	0	0	0	0	111.1
883	G	28.3	Very low	30.3	Very low	82 Å²	82	127.7 Å²	127.7	85%	0.845	79%	0.787	S	S	*	*			cis	170.1	-162.1	6.7	0	0	0	0	0	113.3
884	G	28.5	Very low	30.7	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	79%	0.794	S	S	*	*			trans	92.6	149.2	174.1	0	0	0	0	0	115.9
885	S	28.4	Very low	30.8	Very low	105 Å²	105	128.5 Å²	128.5	73%	0.734	79%	0.79	S	S	*	*			cis	-163.5	150.3	-7.7	-164.1	0	0	0	0	112.7
886	M	27.8	Very low	31	Very low	160 Å²	160	123.9 Å²	123.9	79%	0.788	79%	0.786	S	S	*	*			trans	63.6	127	159.6	-76.4	177.1	172.7	0	0	119.3
887	L	26.6	Very low	29.5	Very low	146 Å²	146	124.2 Å²	124.2	76%	0.764	79%	0.787	S	S	*	*				58.9	131.7	92.8	-61.7	177.1	0	0	0	113.1
888	L	27.3	Very low	28.3	Very low	134 Å²	134	123.8 Å²	123.8	70%	0.702	79%	0.786	S	S	*	*			cis	-156.4	165.9	20.6	-116.4	151.2	0	0	0	110.1
889	D	24.6	Very low	28.2	Very low	136 Å²	136	126.2 Å²	126.2	73%	0.727	79%	0.785	S	S	*	*			trans	62.3	161.2	153.7	-79	-12.6	0	0	0	119.6
890	R	26.9	Very low	28.1	Very low	192 Å²	192	129.8 Å²	129.8	73%	0.725	79%	0.79	S	S	*	*			cis	-166.1	151.3	-22.6	171.4	170.9	172.9	168.5	2.5	110.2
891	E	25.3	Very low	27.8	Very low	149 Å²	149	129.7 Å²	129.7	70%	0.696	79%	0.789	S	S	*	*			trans	32.3	126.4	163.8	-67	175.3	123.5	0	0	122.6
892	R	28.8	Very low	27.7	Very low	226 Å²	226	133.3 Å²	133.3	85%	0.853	79%	0.79	S	S	*	*			trans	-45.9	152.6	152.5	-87.5	-174	-171.2	179.2	5	112.4
893	P	28.9	Very low	27.5	Very low	122 Å²	122	135 Å²	135	79%	0.792	79%	0.785	S	S	*	*				-143.6	152	87.6	38.9	-23.4	0	0	0	116.5
894	Q	35.2	Very low	27.3	Very low	169 Å²	169	138.4 Å²	138.4	79%	0.79	78%	0.783	S	S	*	*			trans	-76.8	160.3	150.3	-61.1	174.5	-48.8	0	0	108
895	P	28.6	Very low	26.9	Very low	124 Å²	124	139.7 Å²	139.7	81%	0.805	78%	0.778	S	S	*	*				-147	170.1	95.6	42	-28	0	0	0	114.9
896	A	29.4	Very low	26.7	Very low	86 Å²	86	141.6 Å²	141.6	71%	0.711	78%	0.779	S	S	*	*			trans	-85.5	-168.4	155.8	0	0	0	0	0	108.7
897	P	34.4	Very low	26.6	Very low	111 Å²	111	144.9 Å²	144.9	72%	0.721	78%	0.784	S	S	*	*			cis	-136.8	175.8	-2.2	40.9	-22.1	0	0	0	116.4
898	C	26.6	Very low	26.4	Very low	123 Å²	123	141.2 Å²	141.2	83%	0.831	78%	0.782	S	S	*	*			trans	20.3	127.2	147.1	-55.4	0	0	0	0	122
899	T	24.9	Very low	26.3	Very low	133 Å²	133	141.4 Å²	141.4	82%	0.816	79%	0.789	S	S	*	*			trans	-139.3	120.1	145.2	47	0	0	0	0	112.5
900	V	26.2	Very low	26.6	Very low	154 Å²	154	141.2 Å²	141.2	93%	0.933	79%	0.793	S	S	*	*				32.7	131.9	127.6	-170.9	0	0	0	0	119.7
901	G	22.3	Very low	26.5	Very low	75 Å²	75	137.8 Å²	137.8	77%	0.773	80%	0.795	S	S	*	*			trans	164.9	125	156.3	0	0	0	0	0	114.3
902	F	24.5	Very low	26.5	Very low	212 Å²	212	140.2 Å²	140.2	93%	0.93	80%	0.804	S	S	*	*			trans	-114.3	177.2	173.4	-134.7	-96.6	0	0	0	109.3
903	V	25.1	Very low	26.3	Very low	116 Å²	116	138.1 Å²	138.1	70%	0.703	81%	0.808	S	S	*	*			trans	90.9	103.3	166.5	-172.7	0	0	0	0	118.2
904	D	22.9	Very low	26	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	80%	0.802	S	S	*	*			trans	61	164.1	138.4	-71.1	-34.8	0	0	0	125.6
905	C	20.8	Very low	25.5	Very low	107 Å²	107	137.2 Å²	137.2	72%	0.723	79%	0.791	S	S	*	*			trans	90.9	90.3	156.4	-79.2	0	0	0	0	120.8
906	L	24.2	Very low	25.3	Very low	146 Å²	146	138.8 Å²	138.8	76%	0.764	79%	0.792	S	S	*	*				71.5	134.4	120.3	-67.2	170.9	0	0	0	121.3
907	Y	24.3	Very low	25	Very low	228 Å²	228	141.5 Å²	141.5	89%	0.894	79%	0.789	S	S	*	*			trans	11.1	124.5	134.9	-75.4	-100	0	0	0	118.8
908	G	24.1	Very low	24.4	Very low	70 Å²	70	143 Å²	143	72%	0.722	80%	0.796	S	S	*	*			trans	-174.7	97.5	160.9	0	0	0	0	0	117.1
909	T	25.1	Very low	24.3	Very low	138 Å²	138	144.8 Å²	144.8	85%	0.847	79%	0.792	S	S	*	*			trans	32.5	112.3	142.6	52.3	0	0	0	0	120.7	P911	T909-P911 WeakPolarHBondContact O-CD 3.13Å
910	V	29.5	Very low	25.4	Very low	132 Å²	132	143.7 Å²	143.7	80%	0.8	79%	0.787	S	S	*	*			trans	-56.8	138.2	154.2	173.1	0	0	0	0	111.9
911	P	26.6	Very low	25.6	Very low	120 Å²	120	142.2 Å²	142.2	78%	0.779	78%	0.781	S	S	*	*			trans	-104.1	138.1	146.5	-2.3	23	0	0	0	110.8	T909	T909-P911 WeakPolarHBondContact O-CD 3.13Å
912	K	24.6	Very low	25.8	Very low	200 Å²	200	141.6 Å²	141.6	87%	0.87	78%	0.775	S	S	*	*			trans	-84.5	144.1	168.4	-67.9	176.7	179.2	174.9	0	109.9
913	L	24.4	Very low	25.8	Very low	181 Å²	181	139.7 Å²	139.7	95%	0.948	77%	0.771	S	S	*	*			trans	-135.4	147.3	155	-112.6	157.5	0	0	0	109.1
914	K	23.3	Very low	25.8	Very low	153 Å²	153	141.7 Å²	141.7	67%	0.665	77%	0.772	S	S	*	*			trans	-111.8	150.6	-169.1	-111.1	176.5	165.1	-82.6	0	110.6
915	E	24.8	Very low	25.8	Very low	120 Å²	120	144 Å²	144	56%	0.561	77%	0.771	S	S	*	*			trans	25.9	128.3	141.2	-56.3	148.9	177.9	0	0	117.7
916	L	22.7	Very low	26	Very low	157 Å²	157	144.7 Å²	144.7	82%	0.822	77%	0.774	S	S	*	*				-149.1	130.5	73.8	-103	70	0	0	0	110
917	H	23.8	Very low	26	Very low	142 Å²	142	144.5 Å²	144.5	66%	0.657	77%	0.774	S	S	*	*				76.3	111.3	77.1	-82.1	92.6	0	0	0	116.6
918	V	22.8	Very low	26.3	Very low	142 Å²	142	140 Å²	140	86%	0.861	76%	0.764	S	S	*	*			trans	-143.2	136.1	146.1	-176.3	0	0	0	0	109.2
919	H	24.1	Very low	26.3	Very low	161 Å²	161	144.7 Å²	144.7	75%	0.745	77%	0.768	S	S	*	*			trans	-159.8	175.4	-179.1	-86.8	-40.1	0	0	0	107.6
920	P	46.7	Very low	26.4	Very low	110 Å²	110	147.4 Å²	147.4	71%	0.714	77%	0.771	S	S	*	*			cis	-121.6	-153.9	-45	35.3	-15.4	0	0	0	109.1
921	P	30.9	Very low	26.2	Very low	123 Å²	123	148 Å²	148	80%	0.799	77%	0.769	S	S	*	*				-128.9	165	69.4	20.3	1.7	0	0	0	112.7
922	G	26.7	Very low	26.1	Very low	63 Å²	63	146.4 Å²	146.4	65%	0.649	77%	0.766	S	S	*	*			cis	106.2	137.9	17.8	0	0	0	0	0	110.3
923	M	24.8	Very low	26.1	Very low	172 Å²	172	147.6 Å²	147.6	85%	0.847	77%	0.765	S	S	*	*			cis	-146.3	-169.9	3.6	-52.4	169.1	102.6	0	0	107.5
924	H	23.8	Very low	26.1	Very low	157 Å²	157	146.9 Å²	146.9	73%	0.727	76%	0.761	S	S	*	*			cis	-157.1	170	4.3	-149.1	-79.2	0	0	0	109.2
925	Y	23.4	Very low	26.2	Very low	203 Å²	203	148.7 Å²	148.7	80%	0.796	77%	0.769	S	S	*	*			trans	-112.5	155.8	166.7	-103.1	-104	0	0	0	110.9
926	P	25.6	Very low	26.3	Very low	121 Å²	121	151 Å²	151	79%	0.786	78%	0.78	S	S	*	*			trans	-81	155.3	153.7	35.5	-32.1	0	0	0	110.5
927	D	24.9	Very low	26.4	Very low	142 Å²	142	150.5 Å²	150.5	76%	0.759	78%	0.784	S	S	*	*			trans	-138.6	162.7	-166.8	-157.6	3.2	0	0	0	113.5
928	L	29.1	Very low	26.4	Very low	132 Å²	132	150 Å²	150	69%	0.691	79%	0.785	S	S	*	*			trans	63.2	120.7	155.1	-85.9	160.8	0	0	0	122.4
929	Q	25.3	Very low	26.6	Very low	170 Å²	170	150 Å²	150	79%	0.794	78%	0.78	S	S	*	*				100.2	99.7	117.2	-163.1	166.9	16.9	0	0	121.5
930	Q	25.9	Very low	26.6	Very low	195 Å²	195	151.7 Å²	151.7	91%	0.911	79%	0.785	S	S	*	*			trans	-172.9	143	139.6	-102.7	167.6	24.3	0	0	108.2
931	D	25.1	Very low	25.6	Very low	145 Å²	145	152 Å²	152	78%	0.775	79%	0.79	S	S	*	*			cis	-147.4	161	-14	-170.4	18.3	0	0	0	108.8
932	A	24.4	Very low	25.4	Very low	86 Å²	86	151.2 Å²	151.2	71%	0.711	79%	0.794	S	S	*	*			trans	-114.7	130.8	-174.6	0	0	0	0	0	112.4
933	R	25.4	Very low	25.4	Very low	225 Å²	225	151.2 Å²	151.2	85%	0.849	79%	0.794	S	S	*	*			trans	-145.1	130.5	167.4	-108.2	174.9	-166.5	-141.4	-2.1	115.4
934	L	24.9	Very low	25.4	Very low	165 Å²	165	153.8 Å²	153.8	86%	0.864	80%	0.8	S	S	*	*			trans	72.3	121.3	155.7	-68.5	155.9	0	0	0	118.6
935	K	24.4	Very low	25.5	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.835	80%	0.8	S	S	*	*			trans	-134.6	174.5	170.7	-164.2	-178.1	-177.6	-175	0	105.7
936	E	28.5	Very low	25.5	Very low	168 Å²	168	149.5 Å²	149.5	79%	0.785	80%	0.804	S	S	*	*			trans	74.4	151.2	-174.2	-46.6	-167	152.5	0	0	111.8
937	T	24	Very low	25.5	Very low	147 Å²	147	149.5 Å²	149.5	90%	0.902	80%	0.802	S	S	*	*			cis	-104	174.3	26.7	-43.2	0	0	0	0	115.3
938	L	24.7	Very low	25.5	Very low	130 Å²	130	149.4 Å²	149.4	68%	0.681	80%	0.801	S	S	*	*			trans	-121.9	168.5	-165.9	-93.9	164.7	0	0	0	114.3
939	L	25.6	Very low	25.3	Very low	144 Å²	144	149.7 Å²	149.7	75%	0.754	80%	0.799	S	S	*	*			trans	90.7	160	141.9	-88.7	162.7	0	0	0	122.8
940	F	24.4	Very low	25.3	Very low	195 Å²	195	149.2 Å²	149.2	86%	0.855	80%	0.796	S	S	*	*			trans	73.6	124.3	-175.2	-64.8	-84.8	0	0	0	116.7
941	S	25.3	Very low	25.9	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	79%	0.79	S	S	*	*			cis	-148.6	160.6	-0.4	59.2	0	0	0	0	114
942	A	27.4	Very low	26.4	Very low	108 Å²	108	144.6 Å²	144.6	89%	0.893	79%	0.789	S	S	*	*			trans	-110.6	173.6	174.6	0	0	0	0	0	109.9
943	G	25.9	Very low	26.8	Very low	63 Å²	63	149.8 Å²	149.8	65%	0.649	80%	0.796	S	S	*	*			cis	168.5	-150.4	6.9	0	0	0	0	0	111.2
944	K	26.3	Very low	27.2	Very low	225 Å²	225	142.6 Å²	142.6	98%	0.978	78%	0.78	S	S	*	*			trans	76.4	147	-171.1	-51.4	178	180	-179.9	0	114.4
945	G	24.8	Very low	27.4	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	77%	0.77	S	S	*	*			cis	156	140.7	-12.7	0	0	0	0	0	114.7
946	F	24.4	Very low	27.8	Very low	201 Å²	201	140.6 Å²	140.6	88%	0.882	77%	0.766	S	S	*	*			trans	87.2	136.6	168.1	-90.3	-106.8	0	0	0	122.2
947	T	24.3	Very low	28.2	Very low	121 Å²	121	138.1 Å²	138.1	74%	0.742	76%	0.758	S	S	*	*			trans	58.3	96.3	154.6	43	0	0	0	0	123
948	D	24.7	Very low	28.5	Very low	141 Å²	141	136.1 Å²	136.1	75%	0.754	74%	0.742	S	S	*	*				60.3	150.9	113.4	-145	-2.7	0	0	0	123.3
949	H	26.5	Very low	28.9	Very low	138 Å²	138	135.9 Å²	135.9	64%	0.639	74%	0.74	S	S	*	*			trans	79.4	111.1	166.7	-80	29	0	0	0	121.3
950	Q	25.5	Very low	29.3	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.743	74%	0.737	S	S	*	*			trans	65.4	92.8	135.5	-59.8	179.9	-1.2	0	0	120.8
951	T	38.6	Very low	29.7	Very low	126 Å²	126	131.3 Å²	131.3	77%	0.773	72%	0.72	S	S	*	*			trans	44.1	142.7	133.4	62.1	0	0	0	0	121.6
952	P	35.3	Very low	29.9	Very low	117 Å²	117	131.2 Å²	131.2	76%	0.76	71%	0.705	S	S	*	*				-131.1	152.9	102	37.2	-31.3	0	0	0	114.2
953	K	32	Very low	30.2	Very low	195 Å²	195	132.3 Å²	132.3	85%	0.848	70%	0.696	S	S	*	*			trans	-114	35	-177.8	-158.6	178.4	-177.5	-179.6	0	111.5
954	S	33.1	Very low	30.5	Very low	74 Å²	74	137.3 Å²	137.3	52%	0.517	70%	0.702	S	S	.	*			trans	-88.7	-49.5	-161.5	-160.3	0	0	0	0	113.8	Y956 L957	S954-Y956 PolarHBondContact O-N 3.16Å; S954-Y956 VanDerWaalsContact O-N 3.12Å; S954-L957 PolarHBondContact O-N 3.5Å
955	D	30.7	Very low	30.7	Very low	123 Å²	123	128.7 Å²	128.7	66%	0.658	67%	0.668	S	S	*	*	H	α-helix	trans	-68.1	-24.1	-160.6	-47.7	-17.5	0	0	0	113.6	L957 L959	D955-L957 VanDerWaalsContact C-N 3.33Å; D955-L957 PolarHBondContact O-N 3.05Å; D955-L959 PolarHBondContact O-N 2.92Å
956	Y	32.6	Very low	31.3	Very low	192 Å²	192	134.5 Å²	134.5	75%	0.753	67%	0.674	S	S	*	*	H	α-helix	trans	-70.2	-25.9	177.3	-170.6	-99.7	0	0	0	113.5	S954	S954-Y956 PolarHBondContact O-N 3.16Å; S954-Y956 VanDerWaalsContact O-N 3.12Å
957	L	36.4	Very low	31.4	Very low	117 Å²	117	128.4 Å²	128.4	61%	0.613	66%	0.655	S	S	*	*	H	α-helix	trans	-85.4	-35.1	176.4	-71.3	169.8	0	0	0	111.6	S954 D955 R960 A961	S954-L957 PolarHBondContact O-N 3.5Å; D955-L957 VanDerWaalsContact C-N 3.33Å; D955-L957 PolarHBondContact O-N 3.05Å; L957-R960 WeakPolarHBondContact O-CB 3.34Å; L957-R960 PolarHBondContact O-N 2.82Å; L957-R960 VanDerWaalsContact O-N 3.09Å; L957-A961 PolarHBondContact O-N 3.17Å
958	D	30.2	Very low	31.8	Very low	105 Å²	105	125.7 Å²	125.7	56%	0.561	64%	0.636	S	S	*	*	H	α-helix	trans	-68.6	-36.5	178.6	-147.1	53.1	0	0	0	111.6	R960 A961	D958-R960 VanDerWaalsContact C-N 3.29Å; D958-R960 PolarHBondContact O-N 3.46Å; D958-A961 PolarHBondContact O-N 2.59Å
959	L	32.1	Very low	32.2	Very low	124 Å²	124	125.7 Å²	125.7	65%	0.649	63%	0.626	S	S	*	*	H	α-helix	trans	-62	-33.9	168.5	-106.1	76.8	0	0	0	113	D955 A961 K962	D955-L959 PolarHBondContact O-N 2.92Å; L959-A961 VanDerWaalsContact C-N 3.33Å; L959-K962 PolarHBondContact O-N 2.99Å
960	R	34.6	Very low	32.7	Very low	182 Å²	182	120.4 Å²	120.4	69%	0.687	60%	0.602	S	S	*	*	H	α-helix	trans	-73.2	-26	-178.6	-169.3	173.4	179.4	174.7	-0.4	112.5	L957 D958	L957-R960 WeakPolarHBondContact O-CB 3.34Å; L957-R960 PolarHBondContact O-N 2.82Å; L957-R960 VanDerWaalsContact O-N 3.09Å; D958-R960 VanDerWaalsContact C-N 3.29Å; D958-R960 PolarHBondContact O-N 3.46Å
961	A	33.7	Very low	33.1	Very low	61 Å²	61	115.2 Å²	115.2	50%	0.504	58%	0.578	S	S	.	*	H	α-helix	trans	-74.7	-31.3	175.5	0	0	0	0	0	113.1	L957 D958 L959 L963	L957-A961 PolarHBondContact O-N 3.17Å; D958-A961 PolarHBondContact O-N 2.59Å; L959-A961 VanDerWaalsContact C-N 3.33Å; A961-L963 VanDerWaalsContact C-N 3.29Å; A961-L963 PolarHBondContact O-N 3.27Å
962	K	29.7	Very low	33.1	Very low	114 Å²	114	112.7 Å²	112.7	50%	0.496	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	17.3	-176.9	-70.9	-173.2	173.9	-176.5	0	115.7	T700 L959	T700-K962 PolarHBondContact OG1-O 3.43Å; T700-K962 VanDerWaalsContact OG1-O 3.12Å; L959-K962 PolarHBondContact O-N 2.99Å
963	L	32.2	Very low	33.2	Very low	132 Å²	132	109 Å²	109	69%	0.691	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	17.9	-177.7	-76.4	167.7	0	0	0	113.5	A961	A961-L963 VanDerWaalsContact C-N 3.29Å; A961-L963 PolarHBondContact O-N 3.27Å
964	Q	31.9	Very low	33.3	Very low	167 Å²	167	104.5 Å²	104.5	78%	0.78	52%	0.518	S	S	*	.			trans	-102.2	35.1	-179.8	-67.6	-159.7	-50.2	0	0	114.8
965	T	30.8	Very low	33.4	Very low	44 Å²	44	106.3 Å²	106.3	27%	0.27	52%	0.517	S	S	.	.	S	Bend	trans	-116.7	145.3	162.7	34.2	0	0	0	0	110.1	E55 T700 I702 P967	E55-T965 WeakPolarHBondContact OE1-CG2 3.33Å; T700-T965 HydrophobicContact CG2-CG2 4.44Å; T700-T965 WeakPolarHBondContact CG2-OG1 3.45Å; I702-T965 HydrophobicContact CD1-CG2 3.73Å; I702-T965 HydrophobicContact CG1-CG2 4.37Å; T965-P967 WeakPolarHBondContact O-CD 3.29Å
966	K	36.9	Very low	33.5	Very low	192 Å²	192	104.5 Å²	104.5	84%	0.835	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-70	121	178.8	-66.4	-178.8	178.5	-178	0	108.1
967	P	27.9	Very low	33.4	Very low	73 Å²	73	98.7 Å²	98.7	47%	0.474	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-64.1	143.4	171.4	29.1	-34.5	0	0	0	108.9	T965 E971 V972	T965-P967 WeakPolarHBondContact O-CD 3.29Å; P967-E971 VanDerWaalsContact CA-OE2 3.26Å; P967-E971 WeakPolarHBondContact CA-OE2 3.23Å; P967-V972 HydrophobicContact CB-CG2 3.91Å; P967-V972 HydrophobicContact CG-CG2 3.77Å
968	D	32.1	Very low	32.9	Very low	64 Å²	64	103.3 Å²	103.3	34%	0.342	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-65.1	149.1	175.6	-157.7	-30.6	0	0	0	109.6	R130 L970 E971 V972	R130-D968 IonicContact CZ-OD1 3.43Å; R130-D968 IonicContact CZ-OD2 2.66Å; R130-D968 VanDerWaalsContact NH1-CG 3.27Å; R130-D968 IonicContact NH1-OD1 2.9Å; R130-D968 PolarHBondContact NH1-OD1 2.86Å; R130-D968 IonicContact NH1-OD2 3.97Å; R130-D968 PolarHBondContact NH1-OD2 2.79Å; R130-D968 IonicContact NH2-OD1 2.57Å; R130-D968 PolarHBondContact NH2-OD1 3.09Å; R130-D968 IonicContact NH2-OD2 3.21Å; R130-D968 PolarHBondContact NH2-OD2 2.99Å; D968-L970 PolarHBondContact O-N 2.91Å; D968-L970 VanDerWaalsContact O-N 3.14Å; D968-E971 HydrophobicContact CB-CB 3.99Å; D968-E971 PolarHBondContact N-OE2 3Å; D968-E971 WeakPolarHBondContact O-CA 3.5Å; D968-E971 WeakPolarHBondContact O-CB 3.44Å; D968-E971 PolarHBondContact O-N 2.92Å; D968-V972 PolarHBondContact O-N 3.09Å
969	Y	33.4	Very low	32.9	Very low	141 Å²	141	108.7 Å²	108.7	55%	0.553	53%	0.525	S	S	*	.	H	α-helix	trans	-60.6	-29	180	-157.5	-88.4	0	0	0	111.2	L973	Y969-L973 HydrophobicContact CD1-CD1 4.11Å; Y969-L973 HydrophobicContact CE1-CD1 4.28Å; Y969-L973 WeakPolarHBondContact O-CG 3.2Å; Y969-L973 PolarHBondContact O-N 3.28Å
970	L	36.8	Very low	32.8	Very low	27 Å²	27	115.5 Å²	115.5	14%	0.141	55%	0.55	C	S	.	.	H	α-helix	trans	-73.2	-34.7	170.9	-136.5	78.9	0	0	0	113.1	D968 L973 E974	D968-L970 PolarHBondContact O-N 2.91Å; D968-L970 VanDerWaalsContact O-N 3.14Å; L970-L973 PolarHBondContact O-N 3.43Å; L970-E974 WeakPolarHBondContact O-CG 3.38Å; L970-E974 PolarHBondContact O-N 2.91Å
971	E	33.7	Very low	32.7	Very low	50 Å²	50	112.2 Å²	112.2	23%	0.234	54%	0.543	C	S	.	.	H	α-helix	trans	-69.8	-36.1	-179.7	-166.3	-158.8	153.2	0	0	111.6	P967 D968 L973 K975	P967-E971 VanDerWaalsContact CA-OE2 3.26Å; P967-E971 WeakPolarHBondContact CA-OE2 3.23Å; D968-E971 HydrophobicContact CB-CB 3.99Å; D968-E971 PolarHBondContact N-OE2 3Å; D968-E971 WeakPolarHBondContact O-CA 3.5Å; D968-E971 WeakPolarHBondContact O-CB 3.44Å; D968-E971 PolarHBondContact O-N 2.92Å; E971-L973 VanDerWaalsContact C-N 3.33Å; E971-K975 HydrophobicContact CG-CD 4.44Å; E971-K975 WeakPolarHBondContact O-CB 3.44Å; E971-K975 WeakPolarHBondContact O-CG 3.42Å; E971-K975 PolarHBondContact O-N 3.34Å; E971-K975 WeakPolarHBondContact OE1-CE 3.26Å; E971-K975 IonicContact OE1-NZ 3.73Å; E971-K975 PolarHBondContact OE1-NZ 3.49Å
972	V	39.3	Very low	32.7	Very low	73 Å²	73	114.9 Å²	114.9	44%	0.442	55%	0.545	S	S	.	.	H	α-helix	trans	-60.9	-43.8	170.4	179.2	0	0	0	0	110.5	P967 D968 K975 T976	P967-V972 HydrophobicContact CB-CG2 3.91Å; P967-V972 HydrophobicContact CG-CG2 3.77Å; D968-V972 PolarHBondContact O-N 3.09Å; V972-K975 PolarHBondContact O-N 3.47Å; V972-T976 PolarHBondContact O-N 3.17Å; V972-T976 PolarHBondContact O-OG1 3.26Å
973	L	37.7	Very low	32.9	Very low	40 Å²	40	114.9 Å²	114.9	21%	0.209	55%	0.548	C	S	.	.	H	α-helix	trans	-68.9	-40.9	179.3	-70.5	168.9	0	0	0	112.5	M226 Y969 L970 E971 T976 A977	M226-L973 HydrophobicContact SD-CD2 4.49Å; Y969-L973 HydrophobicContact CD1-CD1 4.11Å; Y969-L973 HydrophobicContact CE1-CD1 4.28Å; Y969-L973 WeakPolarHBondContact O-CG 3.2Å; Y969-L973 PolarHBondContact O-N 3.28Å; L970-L973 PolarHBondContact O-N 3.43Å; E971-L973 VanDerWaalsContact C-N 3.33Å; L973-T976 WeakPolarHBondContact CA-OG1 3.47Å; L973-T976 PolarHBondContact O-N 2.97Å; L973-T976 VanDerWaalsContact O-N 3.13Å; L973-T976 PolarHBondContact O-OG1 3.13Å; L973-A977 PolarHBondContact O-N 3.34Å
974	E	34.3	Very low	32.9	Very low	99 Å²	99	113.9 Å²	113.9	46%	0.463	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-36.6	175.3	-73.4	-179.4	170.4	0	0	111.9	L970 T976 A977 Y978	L970-E974 WeakPolarHBondContact O-CG 3.38Å; L970-E974 PolarHBondContact O-N 2.91Å; E974-T976 PolarHBondContact O-N 3.5Å; E974-A977 PolarHBondContact O-N 3.02Å; E974-A977 VanDerWaalsContact O-N 3.12Å; E974-Y978 PolarHBondContact O-N 3.15Å
975	K	34.3	Very low	32.9	Very low	113 Å²	113	110.6 Å²	110.6	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-66.9	-20.5	171.6	-78.5	171.1	171.9	169.5	0	113.8	E971 V972	E971-K975 HydrophobicContact CG-CD 4.44Å; E971-K975 WeakPolarHBondContact O-CB 3.44Å; E971-K975 WeakPolarHBondContact O-CG 3.42Å; E971-K975 PolarHBondContact O-N 3.34Å; E971-K975 WeakPolarHBondContact OE1-CE 3.26Å; E971-K975 IonicContact OE1-NZ 3.73Å; E971-K975 PolarHBondContact OE1-NZ 3.49Å; V972-K975 PolarHBondContact O-N 3.47Å
976	T	32.7	Very low	33.1	Very low	84 Å²	84	115.1 Å²	115.1	52%	0.515	54%	0.541	S	S	.	.	H	α-helix	trans	-85.6	-26.6	167.6	48.8	0	0	0	0	114.1	V972 L973 E974	V972-T976 PolarHBondContact O-N 3.17Å; V972-T976 PolarHBondContact O-OG1 3.26Å; L973-T976 WeakPolarHBondContact CA-OG1 3.47Å; L973-T976 PolarHBondContact O-N 2.97Å; L973-T976 VanDerWaalsContact O-N 3.13Å; L973-T976 PolarHBondContact O-OG1 3.13Å; E974-T976 PolarHBondContact O-N 3.5Å
977	A	30	Very low	32.8	Very low	71 Å²	71	109.6 Å²	109.6	59%	0.587	52%	0.52	S	S	*	.	H	α-helix	trans	-71.9	-33.7	-180	0	0	0	0	0	113.2	L973 E974 R979	L973-A977 PolarHBondContact O-N 3.34Å; E974-A977 PolarHBondContact O-N 3.02Å; E974-A977 VanDerWaalsContact O-N 3.12Å; A977-R979 VanDerWaalsContact C-N 3.26Å; A977-R979 PolarHBondContact O-N 3.33Å
978	Y	27.2	Very low	33.2	Very low	213 Å²	213	112.4 Å²	112.4	84%	0.835	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	28.7	-179.8	-82.4	-79.2	0	0	0	114.6	E974	E974-Y978 PolarHBondContact O-N 3.15Å
979	R	30.4	Very low	33.3	Very low	218 Å²	218	116.4 Å²	116.4	82%	0.823	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	20.1	-177.9	-114.7	-177.6	-173.4	-170.1	3.4	116	A977	A977-R979 VanDerWaalsContact C-N 3.26Å; A977-R979 PolarHBondContact O-N 3.33Å
980	F	29.8	Very low	33.3	Very low	268 Å²	268	114.2 Å²	114.2	100%	1.175	54%	0.538	S	S	*	.			trans	-129.4	0	166.6	-79.4	-79.6	0	0	0	109.9

Retrieved 980 of 980 residues in 326.5 ms (Link to these results)

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