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Ubiquitin carboxyl-terminal hydrolase MINDY-3 homolog

Hydrolase that can remove 'Lys-48'-linked conjugated ubiquitin from proteins.

AlphaFold DB , UniProt , Accession Q9VWN5, Species DROME (Drosophila melanogaster, Fruit fly), Gene mindy3, Length 560 aa.

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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	35.2	Very low	34.2	Very low	239 Å²	239	165.9 Å²	165.9	100%	1.177	82%	0.815	S	S	*	*				0	112.9	0	-74.2	173.4	177.2	0	0	107.6
2	N	34.3	Very low	34.3	Very low	147 Å²	147	158.2 Å²	158.2	79%	0.786	81%	0.81	S	S	*	*			cis	-151.7	110.6	-13.2	-94	-6.6	0	0	0	102.1
3	E	32.8	Very low	34.2	Very low	153 Å²	153	160 Å²	160	72%	0.715	81%	0.813	S	S	*	*				45.1	124	112.8	-87.5	-154.7	149.3	0	0	117.6
4	K	37.6	Very low	34.3	Very low	155 Å²	155	159.1 Å²	159.1	67%	0.674	81%	0.811	S	S	*	*				109.2	116	125.7	-87.8	174.2	177.3	141	0	120.7
5	I	38.5	Very low	34.6	Very low	155 Å²	155	156.2 Å²	156.2	80%	0.795	81%	0.811	S	S	*	*				109	118.4	126.5	-66.2	160.5	0	0	0	118.3
6	V	31.2	Very low	34.7	Very low	129 Å²	129	154.1 Å²	154.1	78%	0.782	81%	0.81	S	S	*	*			trans	-75.4	139.7	168.6	170.7	0	0	0	0	111.4
7	R	35.3	Very low	34.8	Very low	207 Å²	207	151.6 Å²	151.6	78%	0.781	81%	0.808	S	S	*	*			trans	175.6	137.7	131.8	-105.8	178.8	169.6	148.7	1	114.7
8	E	34.9	Very low	34.7	Very low	153 Å²	153	149.2 Å²	149.2	72%	0.715	81%	0.805	S	S	*	*			trans	65	105.3	143.4	-72	158.6	175.7	0	0	118.7
9	Q	30.6	Very low	34.7	Very low	167 Å²	167	149.1 Å²	149.1	78%	0.78	81%	0.81	S	S	*	*				75.1	124.6	84.4	-83.1	-159.8	15.9	0	0	116.1
10	R	33.3	Very low	34.5	Very low	236 Å²	236	147.1 Å²	147.1	89%	0.891	81%	0.808	S	S	*	*			trans	82.3	109.9	153.7	-70.3	178	174.4	-155.1	-3.7	119.5
11	G	32.9	Very low	34.5	Very low	84 Å²	84	145.1 Å²	145.1	87%	0.866	81%	0.81	S	S	*	*				107.3	133	119.4	0	0	0	0	0	116.9
12	G	34.4	Very low	34.4	Very low	73 Å²	73	143.2 Å²	143.2	75%	0.753	80%	0.796	S	S	*	*			trans	111.8	87.5	148.5	0	0	0	0	0	116.7
13	E	34	Very low	34.1	Very low	182 Å²	182	141.7 Å²	141.7	85%	0.85	80%	0.797	S	S	*	*				45.4	114.3	124.7	-63.3	176.7	145.6	0	0	120.6
14	D	34.7	Very low	34	Very low	148 Å²	148	139.4 Å²	139.4	79%	0.791	80%	0.804	S	S	*	*				62.6	109.8	125.3	-67.7	-12	0	0	0	122.6
15	S	39.1	Very low	33.5	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	82%	0.815	S	S	*	*				123.2	143	119.8	-71.9	0	0	0	0	117.6
16	P	37	Very low	33.1	Very low	122 Å²	122	136.5 Å²	136.5	79%	0.792	82%	0.817	S	S	*	*			trans	-122.2	160.7	-142.7	36	-19.1	0	0	0	114.8
17	S	36.2	Very low	32.9	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	82%	0.822	S	S	*	*			trans	-155.4	106	156.3	63.9	0	0	0	0	113.4
18	S	32.4	Very low	32.5	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	82%	0.824	S	S	*	*			trans	8.4	129.6	147.7	60.3	0	0	0	0	121
19	V	35.6	Very low	32.1	Very low	147 Å²	147	128.7 Å²	128.7	89%	0.891	83%	0.829	S	S	*	*				-145.5	131.8	124.9	-175.8	0	0	0	0	109.7
20	S	29.9	Very low	31.9	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	83%	0.83	S	S	*	*			trans	-73.9	146.6	-176.8	57.5	0	0	0	0	115.3
21	A	34.7	Very low	31.6	Very low	105 Å²	105	118.1 Å²	118.1	87%	0.868	82%	0.816	S	S	*	*			trans	-148	142.9	147.4	0	0	0	0	0	112
22	K	32.6	Very low	31.4	Very low	199 Å²	199	119.9 Å²	119.9	87%	0.865	81%	0.81	S	S	*	*			trans	-81.6	152.4	-157.1	-72.3	159.7	171.8	175.4	0	116.3
23	S	28.8	Very low	31.1	Very low	116 Å²	116	117.6 Å²	117.6	81%	0.811	78%	0.783	S	S	*	*			trans	70	114.4	137.7	73.5	0	0	0	0	121.7
24	A	31.2	Very low	31.1	Very low	104 Å²	104	110.5 Å²	110.5	86%	0.86	75%	0.754	S	S	*	*				-161.3	115.4	116.2	0	0	0	0	0	109.5
25	T	26.8	Very low	31.6	Very low	150 Å²	150	103.8 Å²	103.8	92%	0.92	72%	0.718	S	S	*	*			trans	-75.8	120.6	174.5	36.9	0	0	0	0	111
26	A	29.5	Very low	31.7	Very low	100 Å²	100	103.4 Å²	103.4	83%	0.826	71%	0.711	S	S	*	*			trans	-130.9	120.4	155.7	0	0	0	0	0	107.6	A28	A26-A28 PolarHBondContact O-N 3.32Å
27	A	26.7	Very low	31.8	Very low	108 Å²	108	98.3 Å²	98.3	89%	0.893	68%	0.677	S	S	*	*			trans	-68.3	115.1	-174.3	0	0	0	0	0	111
28	A	27.5	Very low	31.6	Very low	99 Å²	99	95.2 Å²	95.2	82%	0.818	66%	0.658	S	S	*	*			trans	-97.1	100.1	162.4	0	0	0	0	0	108	A26 A30	A26-A28 PolarHBondContact O-N 3.32Å; A28-A30 PolarHBondContact O-N 3.49Å
29	S	27.1	Very low	31.4	Very low	118 Å²	118	93.5 Å²	93.5	83%	0.825	65%	0.645	S	S	*	*			trans	-83.6	93.7	164.3	54.2	0	0	0	0	108.2	S31	S29-S31 PolarHBondContact O-N 3.5Å
30	A	26.6	Very low	31.1	Very low	96 Å²	96	89.5 Å²	89.5	79%	0.793	63%	0.628	S	S	*	*			trans	-73.1	115.7	167.2	0	0	0	0	0	109.4	A28	A28-A30 PolarHBondContact O-N 3.49Å
31	S	26.3	Very low	31	Very low	85 Å²	85	88.8 Å²	88.8	59%	0.594	63%	0.629	S	S	*	*			trans	-128.9	96.4	162.4	169.1	0	0	0	0	106	S29 A33 Y329	S29-S31 PolarHBondContact O-N 3.5Å; S31-A33 PolarHBondContact O-N 3.24Å; S31-A33 VanDerWaalsContact O-N 3.17Å; S31-Y329 PolarHBondContact OG-OH 2.81Å
32	T	28.1	Very low	30.7	Very low	121 Å²	121	89.6 Å²	89.6	74%	0.742	62%	0.618	S	S	*	*			trans	-80.3	91.9	-178.8	-39.3	0	0	0	0	108.6
33	A	29.5	Very low	30.4	Very low	24 Å²	24	89 Å²	89	20%	0.198	62%	0.618	C	S	.	*			trans	-96.1	99.3	166.8	0	0	0	0	0	108.8	S31 Y329	S31-A33 PolarHBondContact O-N 3.24Å; S31-A33 VanDerWaalsContact O-N 3.17Å; A33-Y329 HydrophobicContact CB-CD1 4.36Å; A33-Y329 HydrophobicContact CB-CD2 3.57Å; A33-Y329 HydrophobicContact CB-CE1 3.9Å; A33-Y329 HydrophobicContact CB-CE2 3.06Å; A33-Y329 HydrophobicContact CB-CG 4.22Å; A33-Y329 WeakPolarHBondContact CB-OH 3.34Å
34	S	32.3	Very low	30.3	Very low	33 Å²	33	88.6 Å²	88.6	23%	0.231	62%	0.615	C	S	.	*			trans	-55	141.1	171.9	-172.4	0	0	0	0	110.7	T36 Y331 M376	S34-T36 PolarHBondContact O-N 2.95Å; S34-Y331 PolarHBondContact O-OH 3.13Å; S34-M376 WeakPolarHBondContact OG-CE 3.5Å; S34-M376 PolarHBondContact OG-SD 3.18Å
35	M	46.9	Very low	30.3	Very low	7 Å²	7	93 Å²	93	3%	0.034	62%	0.618	C	S	.	*			trans	-47.7	110.4	160.9	-83.8	-168.5	-141.8	0	0	107.2	F37 Y331 I337 M376 D401 L404	M35-F37 HydrophobicContact CB-CD2 4.26Å; M35-F37 HydrophobicContact CB-CE2 3.94Å; M35-F37 VanDerWaalsContact O-CD2 3.31Å; M35-F37 WeakPolarHBondContact O-CD2 3.36Å; M35-F37 PolarHBondContact O-N 2.9Å; M35-Y331 HydrophobicContact CB-CE2 4.35Å; M35-Y331 HydrophobicContact CG-CD2 3.82Å; M35-Y331 HydrophobicContact CG-CE2 4.06Å; M35-Y331 HydrophobicContact CG-CG 4.12Å; M35-I337 HydrophobicContact SD-CD1 4.44Å; M35-M376 HydrophobicContact CB-CE 3.96Å; M35-D401 WeakPolarHBondContact CB-O 3.21Å; M35-D401 VanDerWaalsContact CG-O 3.31Å; M35-D401 WeakPolarHBondContact CG-O 3.28Å; M35-D401 PolarHBondContact N-O 3.21Å; M35-L404 HydrophobicContact CE-CG 4.31Å
36	T	40.3	Very low	30.3	Very low	108 Å²	108	95.1 Å²	95.1	66%	0.663	61%	0.614	S	S	*	*			trans	-71.5	88.8	-178	-34.5	0	0	0	0	107.6	S34 Y331	S34-T36 PolarHBondContact O-N 2.95Å; T36-Y331 PolarHBondContact OG1-OH 2.95Å
37	F	38.8	Very low	30.2	Very low	15 Å²	15	96.4 Å²	96.4	7%	0.066	61%	0.612	C	S	.	*			trans	-65	130.7	158.5	-73.6	-94.8	0	0	0	106.1	M35 S39 Q334 V349 F372 M376	M35-F37 HydrophobicContact CB-CD2 4.26Å; M35-F37 HydrophobicContact CB-CE2 3.94Å; M35-F37 VanDerWaalsContact O-CD2 3.31Å; M35-F37 WeakPolarHBondContact O-CD2 3.36Å; M35-F37 PolarHBondContact O-N 2.9Å; F37-S39 PolarHBondContact O-N 3.1Å; F37-Q334 HydrophobicContact CD1-CB 4.11Å; F37-Q334 HydrophobicContact CD1-CG 3.91Å; F37-Q334 HydrophobicContact CE1-CB 4.17Å; F37-Q334 HydrophobicContact CE1-CG 3.75Å; F37-V349 HydrophobicContact CE1-CG1 4.3Å; F37-F372 HydrophobicContact CE1-CE1 4.03Å; F37-F372 HydrophobicContact CE1-CZ 4.16Å; F37-F372 HydrophobicContact CZ-CE1 4.15Å; F37-F372 AromaticContact CZ-CZ 3.92Å; F37-F372 HydrophobicContact CZ-CZ 3.92Å; F37-M376 HydrophobicContact CD2-CB 4.16Å; F37-M376 HydrophobicContact CD2-CE 4.23Å; F37-M376 HydrophobicContact CD2-CG 3.67Å; F37-M376 HydrophobicContact CE2-CB 4.21Å; F37-M376 HydrophobicContact CE2-CE 4.13Å; F37-M376 HydrophobicContact CE2-CG 3.51Å; F37-M376 HydrophobicContact CZ-CG 4.41Å
38	A	31.5	Very low	30.3	Very low	48 Å²	48	97.3 Å²	97.3	40%	0.397	61%	0.606	S	S	.	*			trans	-62.3	86.6	173.8	0	0	0	0	0	109.2	A347 H348	A38-A347 HydrophobicContact CB-CB 4.16Å; A38-H348 PolarHBondContact O-CE1 3.37Å; A38-H348 PolarHBondContact O-ND1 2.88Å
39	S	29.4	Very low	30.1	Very low	70 Å²	70	98.4 Å²	98.4	49%	0.49	60%	0.603	S	S	.	*			trans	-86.5	103.3	157.6	-122.7	0	0	0	0	105	F37 A41 Y381	F37-S39 PolarHBondContact O-N 3.1Å; S39-A41 PolarHBondContact O-N 3.42Å; S39-Y381 WeakPolarHBondContact CB-O 3.35Å; S39-Y381 PolarHBondContact OG-O 2.77Å
40	A	29.3	Very low	30.4	Very low	64 Å²	64	100.6 Å²	100.6	53%	0.529	60%	0.604	S	S	.	*			trans	-61.3	101.5	174.6	0	0	0	0	0	108.8	L42 L361	A40-L42 PolarHBondContact O-N 3.41Å; A40-L361 HydrophobicContact CB-CD1 4.19Å
41	A	28	Very low	30.4	Very low	94 Å²	94	101.9 Å²	101.9	78%	0.777	60%	0.602	S	S	*	*			trans	-78.1	107.2	165.1	0	0	0	0	0	107.9	S39 E43	S39-A41 PolarHBondContact O-N 3.42Å; A41-E43 PolarHBondContact O-N 3.26Å
42	L	27.1	Very low	30.7	Very low	123 Å²	123	104.7 Å²	104.7	64%	0.644	62%	0.616	S	S	*	*			trans	-80.1	97.6	168.1	-125.6	93.2	0	0	0	108.2	A40 V356	A40-L42 PolarHBondContact O-N 3.41Å; L42-V356 HydrophobicContact CD1-CG1 4.26Å
43	E	27.8	Very low	30.7	Very low	186 Å²	186	103.5 Å²	103.5	87%	0.869	62%	0.618	S	S	*	*			trans	-88.5	135.3	158.7	-85	-174.9	162.2	0	0	110.1	A41	A41-E43 PolarHBondContact O-N 3.26Å
44	S	26.5	Very low	31	Very low	107 Å²	107	107.8 Å²	107.8	75%	0.748	65%	0.647	S	S	*	*			trans	-63.2	131.3	-170.4	58.6	0	0	0	0	114.6
45	H	31.2	Very low	31.1	Very low	198 Å²	198	111.4 Å²	111.4	92%	0.917	67%	0.672	S	S	*	*			trans	-135.7	124.6	149.8	-94.9	-68.2	0	0	0	111.8
46	K	26.4	Very low	30.3	Very low	194 Å²	194	116.6 Å²	116.6	84%	0.843	71%	0.709	S	S	*	*			trans	-73.9	154.1	178.9	-75.6	171.3	165	171.4	0	112.1
47	T	26.1	Very low	30.3	Very low	126 Å²	126	117.5 Å²	117.5	77%	0.773	72%	0.717	S	S	*	*			trans	94.2	108	144.3	-13.2	0	0	0	0	118.4
48	T	28.6	Very low	29.9	Very low	127 Å²	127	128.2 Å²	128.2	78%	0.779	76%	0.757	S	S	*	*				156.3	129.1	98.8	-53	0	0	0	0	111.3
49	T	24.7	Very low	30.3	Very low	123 Å²	123	133 Å²	133	76%	0.755	78%	0.781	S	S	*	*			trans	-73.6	137	-177.3	-38.3	0	0	0	0	113.4
50	I	32.3	Very low	30.6	Very low	163 Å²	163	135.7 Å²	135.7	84%	0.836	80%	0.8	S	S	*	*			trans	-139.3	124.9	153.2	-60.9	-176.9	0	0	0	109.7
51	T	26.5	Very low	31	Very low	123 Å²	123	136.5 Å²	136.5	76%	0.755	82%	0.815	S	S	*	*			trans	-93.1	135	176.1	22.9	0	0	0	0	111.2
52	T	33.6	Very low	31.4	Very low	144 Å²	144	136.7 Å²	136.7	88%	0.883	82%	0.817	S	S	*	*			trans	-151.7	133.7	152.6	41.5	0	0	0	0	111.6
53	A	27.2	Very low	31.9	Very low	96 Å²	96	136.6 Å²	136.6	79%	0.793	83%	0.826	S	S	*	*			trans	-107.7	175.7	-177.4	0	0	0	0	0	112.4
54	S	36.5	Very low	32.4	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	83%	0.825	S	S	*	*			trans	93.6	146	167	85.8	0	0	0	0	115.5
55	S	34.1	Very low	32.9	Very low	109 Å²	109	133 Å²	133	76%	0.762	83%	0.828	S	S	*	*			cis	179.4	136.5	-18.5	46.1	0	0	0	0	105.5
56	S	31.1	Very low	33.3	Very low	116 Å²	116	128.7 Å²	128.7	81%	0.811	83%	0.826	S	S	*	*			trans	-80.5	165.4	174.8	-46.8	0	0	0	0	112.7
57	P	39.4	Very low	33.9	Very low	128 Å²	128	124.8 Å²	124.8	83%	0.831	82%	0.823	S	S	*	*				-146.9	159.4	118.9	32.4	-13.6	0	0	0	116.2
58	R	30.1	Very low	34.6	Very low	240 Å²	240	123.9 Å²	123.9	91%	0.906	82%	0.822	S	S	*	*			trans	-87.8	150.9	174.1	-67	172.2	164.3	-166	-4.6	111.6
59	T	40.2	Very low	35.1	Very low	148 Å²	148	123 Å²	123	91%	0.908	82%	0.821	S	S	*	*			trans	-149.4	133.1	149.1	45.2	0	0	0	0	112
60	S	35.3	Very low	35.8	Very low	126 Å²	126	121.8 Å²	121.8	88%	0.881	82%	0.818	S	S	*	*			trans	-92	156.1	177.1	49.3	0	0	0	0	112.7
61	G	39.1	Very low	36.2	Very low	82 Å²	82	125.8 Å²	125.8	85%	0.845	82%	0.822	S	S	*	*			trans	-179.6	112.6	162.6	0	0	0	0	0	113.2
62	A	34.5	Very low	36.8	Very low	98 Å²	98	125.9 Å²	125.9	81%	0.81	83%	0.828	S	S	*	*			trans	-95.9	151	175.4	0	0	0	0	0	111.2
63	S	39.3	Very low	37.3	Very low	121 Å²	121	124 Å²	124	85%	0.846	83%	0.827	S	S	*	*				162.6	140.5	126	51.3	0	0	0	0	115.2
64	A	37.3	Very low	37.8	Very low	101 Å²	101	125.1 Å²	125.1	84%	0.835	83%	0.829	S	S	*	*			trans	76.2	129.2	137.4	0	0	0	0	0	123.2
65	S	37.4	Very low	38.2	Very low	116 Å²	116	124.1 Å²	124.1	81%	0.811	83%	0.828	S	S	*	*			trans	-68.1	154.7	173.4	50.5	0	0	0	0	116.8
66	A	40.2	Very low	38.4	Very low	107 Å²	107	124.8 Å²	124.8	88%	0.884	83%	0.829	S	S	*	*			trans	-168.2	143.9	133.7	0	0	0	0	0	112.1
67	S	37.8	Very low	38.6	Very low	112 Å²	112	124.2 Å²	124.2	78%	0.783	83%	0.832	S	S	*	*			trans	-94.9	152.7	-175.5	51	0	0	0	0	113.8
68	S	41.3	Very low	38.6	Very low	107 Å²	107	123.8 Å²	123.8	75%	0.748	83%	0.832	S	S	*	*			trans	174.6	127.3	130.9	57	0	0	0	0	113.9
69	S	39.1	Very low	38.8	Very low	108 Å²	108	118 Å²	118	76%	0.755	83%	0.828	S	S	*	*			trans	17.7	148	137.1	58.4	0	0	0	0	120.1
70	S	40	Very low	38.6	Very low	99 Å²	99	116.1 Å²	116.1	69%	0.692	82%	0.821	S	S	*	*			cis	171.4	147.8	11.2	45.7	0	0	0	0	105.4
71	R	40.3	Very low	38.5	Very low	247 Å²	247	115.7 Å²	115.7	93%	0.932	82%	0.818	S	S	*	*			trans	169.8	133.7	133.2	-94.4	168.7	179.1	-163.3	-0.6	112
72	S	38.6	Very low	38.4	Very low	124 Å²	124	121.4 Å²	121.4	87%	0.867	82%	0.823	S	S	*	*			trans	-81.9	145.9	177.9	39.9	0	0	0	0	112.5
73	A	43.7	Very low	38.2	Very low	106 Å²	106	125.4 Å²	125.4	88%	0.876	83%	0.825	S	S	*	*			trans	-154.1	137	153.2	0	0	0	0	0	109.3
74	S	39.4	Very low	38.2	Very low	118 Å²	118	128.5 Å²	128.5	83%	0.825	83%	0.826	S	S	*	*			trans	-99.3	162.6	-168.6	47.3	0	0	0	0	113.9
75	A	44.1	Very low	38.6	Very low	93 Å²	93	132.9 Å²	132.9	77%	0.769	83%	0.826	S	S	*	*			trans	101.6	157.1	154.3	0	0	0	0	0	117.4
76	P	39.2	Very low	38.9	Very low	123 Å²	123	133.6 Å²	133.6	80%	0.799	82%	0.817	S	S	*	*				-133.2	169.2	-67.5	36.2	-19.8	0	0	0	113.7
77	A	34.2	Very low	39.2	Very low	104 Å²	104	132.8 Å²	132.8	86%	0.86	80%	0.802	S	S	*	*			trans	25.5	113.6	155.2	0	0	0	0	0	120.3
78	S	40.1	Very low	40	Very low	120 Å²	120	134.3 Å²	134.3	84%	0.839	80%	0.799	S	S	*	*			trans	-136.8	119.8	145.6	53.8	0	0	0	0	109.7
79	S	34.6	Very low	41	Very low	119 Å²	119	132.2 Å²	132.2	83%	0.832	78%	0.779	S	S	*	*			trans	-89.2	117.3	171.5	48.1	0	0	0	0	108.8
80	S	34.8	Very low	42.6	Very low	108 Å²	108	129.2 Å²	129.2	76%	0.755	75%	0.754	S	S	*	*			trans	-178.8	146.1	155.8	37.6	0	0	0	0	110.2
81	S	34.6	Very low	44.8	Very low	117 Å²	117	127.6 Å²	127.6	82%	0.818	75%	0.747	S	S	*	*			trans	81.9	68.3	172.7	72	0	0	0	0	119.1
82	Q	35.3	Very low	47.1	Very low	201 Å²	201	117.9 Å²	117.9	94%	0.939	72%	0.715	S	S	*	*			trans	-129.7	70.5	148.1	-77.3	-170.3	-0.8	0	0	108.9
83	Q	31	Very low	49.6	Very low	183 Å²	183	112.2 Å²	112.2	86%	0.855	68%	0.675	S	S	*	*			trans	-146	143.4	167	-99.1	167.6	-18.8	0	0	106.2
84	E	38.7	Very low	51.8	Low	185 Å²	185	110.7 Å²	110.7	86%	0.864	65%	0.651	S	S	*	*			trans	93	57	179.5	-56	-178.5	158.7	0	0	119.6
85	K	45.5	Very low	54.4	Low	193 Å²	193	110.8 Å²	110.8	84%	0.839	63%	0.633	S	S	*	*			trans	-122	4.9	159.5	-90.4	-172.1	178.8	-177.5	0	115.3
86	Q	43.8	Very low	56.8	Low	132 Å²	132	107.8 Å²	107.8	62%	0.617	60%	0.603	S	S	*	*	S	Bend	trans	-95.5	-30.7	-165.3	-80.7	166.4	-23.9	0	0	117.9	M88 E237	Q86-M88 VanDerWaalsContact C-N 3.3Å; Q86-M88 PolarHBondContact O-N 3.19Å; Q86-E237 WeakPolarHBondContact CG-OE2 3.19Å
87	P	48.1	Very low	59.5	Low	90 Å²	90	102.3 Å²	102.3	58%	0.584	57%	0.567	S	S	*	*	H	α-helix	trans	-72.3	-18	-177.5	24.5	-30.9	0	0	0	114.6	L89	P87-L89 PolarHBondContact O-N 3.27Å
88	M	53.5	Low	62.4	Low	144 Å²	144	105.6 Å²	105.6	71%	0.709	56%	0.557	S	S	*	*	H	α-helix	trans	-71.6	-25.2	-174.6	-64.8	-159.7	86.1	0	0	114.7	Q86 T92	Q86-M88 VanDerWaalsContact C-N 3.3Å; Q86-M88 PolarHBondContact O-N 3.19Å; M88-T92 PolarHBondContact O-N 3.05Å; M88-T92 PolarHBondContact O-OG1 3.28Å
89	L	62.5	Low	65	Low	63 Å²	63	103.9 Å²	103.9	33%	0.33	54%	0.536	S	S	.	.	H	α-helix	trans	-69.6	-48.5	-176.2	-71.7	168.5	0	0	0	111.2	P87 A91 T92 D93	P87-L89 PolarHBondContact O-N 3.27Å; L89-A91 PolarHBondContact O-N 3.36Å; L89-T92 WeakPolarHBondContact O-CB 3.4Å; L89-T92 PolarHBondContact O-N 3.26Å; L89-T92 VanDerWaalsContact O-N 3.17Å; L89-D93 PolarHBondContact O-N 3.14Å
90	N	73	Confident	68	Low	44 Å²	44	98.2 Å²	98.2	24%	0.235	50%	0.496	C	S	.	.	H	α-helix	trans	-62.4	-42	-179.1	-76.9	-5.2	0	0	0	112.9	T92 D93 M94	N90-T92 VanDerWaalsContact C-N 3.25Å; N90-T92 PolarHBondContact O-N 3.5Å; N90-D93 PolarHBondContact O-N 3.21Å; N90-M94 WeakPolarHBondContact O-CG 3.49Å; N90-M94 PolarHBondContact O-N 3.42Å
91	A	85.1	Confident	70.9	Confident	66 Å²	66	95.4 Å²	95.4	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-62.9	-34.9	178	0	0	0	0	0	112.2	L89 R95	L89-A91 PolarHBondContact O-N 3.36Å; A91-R95 PolarHBondContact O-N 2.99Å
92	T	90.4	Very high	73.8	Confident	43 Å²	43	94.2 Å²	94.2	26%	0.264	45%	0.452	S	S	.	.	H	α-helix	trans	-67.9	-47.9	176.3	-58.2	0	0	0	0	110.8	M88 L89 N90 M94 R95 E96	M88-T92 PolarHBondContact O-N 3.05Å; M88-T92 PolarHBondContact O-OG1 3.28Å; L89-T92 WeakPolarHBondContact O-CB 3.4Å; L89-T92 PolarHBondContact O-N 3.26Å; L89-T92 VanDerWaalsContact O-N 3.17Å; N90-T92 VanDerWaalsContact C-N 3.25Å; N90-T92 PolarHBondContact O-N 3.5Å; T92-M94 VanDerWaalsContact C-N 3.34Å; T92-M94 PolarHBondContact O-N 3.44Å; T92-R95 WeakPolarHBondContact O-CB 3.44Å; T92-R95 PolarHBondContact O-N 3.06Å; T92-R95 VanDerWaalsContact O-N 3.14Å; T92-E96 PolarHBondContact O-N 3.13Å
93	D	90.9	Very high	76.7	Confident	4 Å²	4	85.5 Å²	85.5	2%	0.021	41%	0.412	C	S	.	.	H	α-helix	trans	-64.5	-37.9	179.6	-63.8	-38.1	0	0	0	112.3	L89 N90 R95 E96 L97 R191 T271 H273	L89-D93 PolarHBondContact O-N 3.14Å; N90-D93 PolarHBondContact O-N 3.21Å; D93-R95 VanDerWaalsContact C-N 3.28Å; D93-R95 PolarHBondContact O-N 3.31Å; D93-E96 PolarHBondContact O-N 3.35Å; D93-L97 WeakPolarHBondContact O-CB 3.26Å; D93-L97 WeakPolarHBondContact O-CG 3.17Å; D93-L97 PolarHBondContact O-N 3.37Å; D93-R191 WeakPolarHBondContact OD1-CD 3.13Å; D93-R191 IonicContact OD1-CZ 3.86Å; D93-R191 IonicContact OD1-NH1 3.79Å; D93-R191 PolarHBondContact OD1-NH1 3.48Å; D93-T271 HydrophobicContact CB-CG2 4.26Å; D93-H273 IonicContact OD1-CE1 2.97Å; D93-H273 IonicContact OD1-NE2 3.81Å; D93-H273 IonicContact OD2-CD2 2.74Å; D93-H273 IonicContact OD2-CE1 2.8Å; D93-H273 PolarHBondContact OD2-CE1 3.41Å; D93-H273 IonicContact OD2-NE2 2.76Å; D93-H273 PolarHBondContact OD2-NE2 2.96Å
94	M	89	Confident	79.8	Confident	75 Å²	75	76.8 Å²	76.8	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-67	-28.7	175.7	-69.1	-56.5	-66.7	0	0	113	N90 T92 L97 R98	N90-M94 WeakPolarHBondContact O-CG 3.49Å; N90-M94 PolarHBondContact O-N 3.42Å; T92-M94 VanDerWaalsContact C-N 3.34Å; T92-M94 PolarHBondContact O-N 3.44Å; M94-L97 HydrophobicContact SD-CD1 4.04Å; M94-R98 WeakPolarHBondContact O-CG 3.37Å; M94-R98 PolarHBondContact O-NE 3.45Å
95	R	93.8	Very high	82.5	Confident	119 Å²	119	68.3 Å²	68.3	45%	0.449	33%	0.331	S	S	.	.	H	α-helix	trans	-71	-50	170.6	-176.4	-178.3	64.7	-128.8	-3.5	110.3	A91 T92 D93 L97 R98 E99	A91-R95 PolarHBondContact O-N 2.99Å; T92-R95 WeakPolarHBondContact O-CB 3.44Å; T92-R95 PolarHBondContact O-N 3.06Å; T92-R95 VanDerWaalsContact O-N 3.14Å; D93-R95 VanDerWaalsContact C-N 3.28Å; D93-R95 PolarHBondContact O-N 3.31Å; R95-L97 VanDerWaalsContact C-N 3.31Å; R95-L97 PolarHBondContact O-N 3.17Å; R95-R98 WeakPolarHBondContact O-CB 3.41Å; R95-R98 PolarHBondContact O-N 3.22Å; R95-R98 VanDerWaalsContact O-N 3.08Å; R95-E99 WeakPolarHBondContact CG-OE1 3.49Å; R95-E99 IonicContact NE-OE1 3.11Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.08Å; R95-E99 VanDerWaalsContact O-N 3.07Å
96	E	94.8	Very high	84.8	Confident	31 Å²	31	59.9 Å²	59.9	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-36.8	179.6	-71.2	-175.8	-157.4	0	0	112.5	T92 D93 R98 E99 I100 R191 L306	T92-E96 PolarHBondContact O-N 3.13Å; D93-E96 PolarHBondContact O-N 3.35Å; E96-R98 VanDerWaalsContact C-N 3.29Å; E96-R98 PolarHBondContact O-N 3.37Å; E96-E99 PolarHBondContact O-N 2.9Å; E96-I100 WeakPolarHBondContact O-CB 3.43Å; E96-I100 WeakPolarHBondContact O-CD1 3.34Å; E96-I100 WeakPolarHBondContact O-CG1 3.45Å; E96-I100 PolarHBondContact O-N 3.04Å; E96-R191 VanDerWaalsContact CD-NH1 3.29Å; E96-R191 IonicContact OE1-NH1 2.82Å; E96-R191 PolarHBondContact OE1-NH1 2.65Å; E96-R191 IonicContact OE1-NH2 2.77Å; E96-R191 IonicContact OE2-CZ 3.66Å; E96-R191 IonicContact OE2-NH1 3.37Å; E96-R191 PolarHBondContact OE2-NH1 3.37Å; E96-R191 IonicContact OE2-NH2 2.65Å; E96-R191 PolarHBondContact OE2-NH2 3.11Å; E96-L306 HydrophobicContact CB-CD2 3.83Å
97	L	95.4	Very high	87.1	Confident	8 Å²	8	59.9 Å²	59.9	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-37.4	174.2	-80.3	172.5	0	0	0	112.6	D93 M94 R95 K101 V193 L269 Y302 L306	D93-L97 WeakPolarHBondContact O-CB 3.26Å; D93-L97 WeakPolarHBondContact O-CG 3.17Å; D93-L97 PolarHBondContact O-N 3.37Å; M94-L97 HydrophobicContact SD-CD1 4.04Å; R95-L97 VanDerWaalsContact C-N 3.31Å; R95-L97 PolarHBondContact O-N 3.17Å; L97-K101 PolarHBondContact O-N 3.39Å; L97-V193 HydrophobicContact CD2-CG2 4.03Å; L97-L269 HydrophobicContact CD1-CB 4.11Å; L97-L269 HydrophobicContact CD2-CD1 4.27Å; L97-Y302 HydrophobicContact CD2-CD1 3.74Å; L97-L306 HydrophobicContact CD2-CD1 3.79Å; L97-L306 HydrophobicContact CD2-CG 4.25Å; L97-L306 HydrophobicContact CG-CD1 4.13Å; L97-L306 HydrophobicContact CG-CD2 4.48Å
98	R	94.9	Very high	89	Confident	173 Å²	173	61.9 Å²	61.9	65%	0.653	31%	0.309	S	S	*	.	H	α-helix	trans	-69.8	-40.2	175	-73.4	-177.3	-73.2	162.6	-3.4	111.6	M94 R95 E96 K101 Q102	M94-R98 WeakPolarHBondContact O-CG 3.37Å; M94-R98 PolarHBondContact O-NE 3.45Å; R95-R98 WeakPolarHBondContact O-CB 3.41Å; R95-R98 PolarHBondContact O-N 3.22Å; R95-R98 VanDerWaalsContact O-N 3.08Å; E96-R98 VanDerWaalsContact C-N 3.29Å; E96-R98 PolarHBondContact O-N 3.37Å; R98-K101 WeakPolarHBondContact O-CB 3.44Å; R98-K101 PolarHBondContact O-N 3.32Å; R98-Q102 PolarHBondContact O-N 2.82Å
99	E	95.3	Very high	90.9	Very high	83 Å²	83	56.3 Å²	56.3	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-36	176.4	-63.4	168.1	179.2	0	0	111.5	R95 E96 Q102 L103 L310	R95-E99 WeakPolarHBondContact CG-OE1 3.49Å; R95-E99 IonicContact NE-OE1 3.11Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.08Å; R95-E99 VanDerWaalsContact O-N 3.07Å; E96-E99 PolarHBondContact O-N 2.9Å; E99-Q102 PolarHBondContact O-N 2.97Å; E99-L103 WeakPolarHBondContact O-CB 3.19Å; E99-L103 PolarHBondContact O-N 3.04Å; E99-L310 HydrophobicContact CB-CD2 3.24Å; E99-L310 HydrophobicContact CG-CD2 4.25Å; E99-L310 WeakPolarHBondContact OE2-CD2 3.41Å
100	I	96.8	Very high	92.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-42.9	171.1	-71.1	163.3	0	0	0	110.6	E96 Q102 L103 L104 Y302 F305 L306 L310	E96-I100 WeakPolarHBondContact O-CB 3.43Å; E96-I100 WeakPolarHBondContact O-CD1 3.34Å; E96-I100 WeakPolarHBondContact O-CG1 3.45Å; E96-I100 PolarHBondContact O-N 3.04Å; I100-Q102 VanDerWaalsContact C-N 3.31Å; I100-Q102 PolarHBondContact O-N 2.94Å; I100-L103 PolarHBondContact O-N 3.04Å; I100-L104 HydrophobicContact CG2-CD1 3.57Å; I100-L104 HydrophobicContact CG2-CG 4.2Å; I100-L104 WeakPolarHBondContact O-CB 3.4Å; I100-L104 VanDerWaalsContact O-CG 3.32Å; I100-L104 WeakPolarHBondContact O-CG 3.46Å; I100-L104 PolarHBondContact O-N 2.91Å; I100-Y302 HydrophobicContact CG2-CD1 3.74Å; I100-Y302 HydrophobicContact CG2-CE1 3.77Å; I100-Y302 HydrophobicContact CG2-CG 4.28Å; I100-F305 HydrophobicContact CD1-CB 3.7Å; I100-F305 HydrophobicContact CG1-CB 3.98Å; I100-F305 HydrophobicContact CG2-CB 4.07Å; I100-F305 HydrophobicContact CG2-CG 4.18Å; I100-L306 HydrophobicContact CD1-CD2 3.49Å; I100-L306 VanDerWaalsContact CD1-CD2 3.49Å; I100-L306 HydrophobicContact CD1-CG 3.71Å; I100-L310 HydrophobicContact CG1-CD1 4.07Å
101	K	96.4	Very high	93.4	Very high	50 Å²	50	62.5 Å²	62.5	22%	0.217	31%	0.305	C	S	.	.	H	α-helix	trans	-55.5	-48.7	173	177.8	-173.3	-177.6	-177.3	0	110.4	L97 R98 L104 W105 V109 D263	L97-K101 PolarHBondContact O-N 3.39Å; R98-K101 WeakPolarHBondContact O-CB 3.44Å; R98-K101 PolarHBondContact O-N 3.32Å; K101-L104 PolarHBondContact O-N 3.19Å; K101-W105 WeakPolarHBondContact O-CB 3.41Å; K101-W105 VanDerWaalsContact O-CD1 3.27Å; K101-W105 PolarHBondContact O-N 3.18Å; K101-V109 HydrophobicContact CG-CG2 4.41Å; K101-D263 IonicContact NZ-OD1 3.29Å; K101-D263 PolarHBondContact NZ-OD1 3.06Å
102	Q	95.3	Very high	93.8	Very high	91 Å²	91	63 Å²	63	43%	0.425	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-46.1	178.5	-175	65.7	31.8	0	0	112.1	R98 E99 I100 L104 G106 D107	R98-Q102 PolarHBondContact O-N 2.82Å; E99-Q102 PolarHBondContact O-N 2.97Å; I100-Q102 VanDerWaalsContact C-N 3.31Å; I100-Q102 PolarHBondContact O-N 2.94Å; Q102-L104 VanDerWaalsContact C-N 3.33Å; Q102-L104 PolarHBondContact O-N 3.38Å; Q102-G106 WeakPolarHBondContact O-CA 3.48Å; Q102-G106 PolarHBondContact O-N 2.74Å; Q102-G106 PolarHBondContact OE1-O 2.71Å; Q102-D107 PolarHBondContact NE2-OD1 3.26Å
103	L	95.6	Very high	94	Very high	18 Å²	18	61.1 Å²	61.1	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-37	-179.9	-178.5	64.5	0	0	0	112.6	E99 I100 F305 L310 V313 I317 T320 P323 L324	E99-L103 WeakPolarHBondContact O-CB 3.19Å; E99-L103 PolarHBondContact O-N 3.04Å; I100-L103 PolarHBondContact O-N 3.04Å; L103-F305 HydrophobicContact CD2-CD1 4.46Å; L103-F305 HydrophobicContact CD2-CE1 4.05Å; L103-L310 HydrophobicContact CD2-CD1 3.55Å; L103-V313 HydrophobicContact CD2-CG1 3.72Å; L103-I317 HydrophobicContact CD1-CD1 4.13Å; L103-I317 HydrophobicContact CD2-CD1 4.06Å; L103-T320 HydrophobicContact CD1-CG2 3.83Å; L103-P323 WeakPolarHBondContact O-CA 3.49Å; L103-L324 HydrophobicContact CD1-CG 4.46Å; L103-L324 HydrophobicContact CD2-CD1 4.06Å; L103-L324 HydrophobicContact CG-CD1 3.93Å; L103-L324 HydrophobicContact CG-CG 4.22Å; L103-L324 PolarHBondContact O-N 3.29Å
104	L	96.8	Very high	94.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-77.4	-44.2	-178.4	-75.8	171.1	0	0	0	112.8	I100 K101 Q102 M301 Y302 F305 L324 I325	I100-L104 HydrophobicContact CG2-CD1 3.57Å; I100-L104 HydrophobicContact CG2-CG 4.2Å; I100-L104 WeakPolarHBondContact O-CB 3.4Å; I100-L104 VanDerWaalsContact O-CG 3.32Å; I100-L104 WeakPolarHBondContact O-CG 3.46Å; I100-L104 PolarHBondContact O-N 2.91Å; K101-L104 PolarHBondContact O-N 3.19Å; Q102-L104 VanDerWaalsContact C-N 3.33Å; Q102-L104 PolarHBondContact O-N 3.38Å; L104-M301 HydrophobicContact CD1-CE 3.6Å; L104-M301 HydrophobicContact CD1-SD 4.46Å; L104-M301 HydrophobicContact CD2-CE 4.12Å; L104-M301 HydrophobicContact CD2-SD 4.03Å; L104-M301 HydrophobicContact CG-CE 4.48Å; L104-Y302 HydrophobicContact CD1-CD2 4.05Å; L104-Y302 HydrophobicContact CD1-CE1 4.34Å; L104-Y302 HydrophobicContact CD1-CE2 3.47Å; L104-Y302 VanDerWaalsContact CD1-CE2 3.47Å; L104-F305 HydrophobicContact CD1-CE2 4.49Å; L104-F305 HydrophobicContact CD2-CE1 4.37Å; L104-F305 HydrophobicContact CD2-CE2 3.66Å; L104-F305 HydrophobicContact CD2-CZ 3.57Å; L104-F305 HydrophobicContact CG-CE2 4.4Å; L104-F305 HydrophobicContact CG-CZ 4.34Å; L104-L324 HydrophobicContact CD2-CB 4.17Å; L104-L324 HydrophobicContact CD2-CD1 4.39Å; L104-L324 PolarHBondContact O-N 2.9Å; L104-I325 HydrophobicContact CB-CD1 4.43Å; L104-I325 HydrophobicContact CD2-CD1 4.4Å; L104-I325 HydrophobicContact CD2-CG1 4.44Å; L104-I325 VanDerWaalsContact O-CB 3.31Å; L104-I325 WeakPolarHBondContact O-CB 3.44Å; L104-I325 PolarHBondContact O-N 3.05Å
105	W	96.3	Very high	94.5	Very high	8 Å²	8	62.2 Å²	62.2	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-114.2	-14.7	-166.1	-55.5	96.6	0	0	0	114.1	K101 V109 V113 F114 W117 L298 Y302 I325	K101-W105 WeakPolarHBondContact O-CB 3.41Å; K101-W105 VanDerWaalsContact O-CD1 3.27Å; K101-W105 PolarHBondContact O-N 3.18Å; W105-V109 HydrophobicContact CB-CB 4.36Å; W105-V109 HydrophobicContact CB-CG1 4.47Å; W105-V109 HydrophobicContact CB-CG2 3.57Å; W105-V109 HydrophobicContact CD2-CG1 3.83Å; W105-V109 HydrophobicContact CD2-CG2 4.33Å; W105-V109 HydrophobicContact CE3-CG1 3.69Å; W105-V109 HydrophobicContact CG-CB 4.5Å; W105-V109 HydrophobicContact CG-CG1 4.17Å; W105-V109 HydrophobicContact CG-CG2 3.77Å; W105-V109 HydrophobicContact CZ3-CG1 4.18Å; W105-V113 HydrophobicContact CZ3-CB 4.35Å; W105-V113 HydrophobicContact CZ3-CG1 3.85Å; W105-F114 HydrophobicContact CH2-CB 4.32Å; W105-F114 AromaticContact CH2-CD2 3.85Å; W105-F114 HydrophobicContact CH2-CD2 3.85Å; W105-F114 AromaticContact CZ2-CD2 3.82Å; W105-F114 HydrophobicContact CZ2-CD2 3.82Å; W105-F114 HydrophobicContact CZ2-CE2 4.36Å; W105-F114 HydrophobicContact CZ3-CB 4.31Å; W105-F114 HydrophobicContact CZ3-CD2 4.42Å; W105-W117 HydrophobicContact CH2-CB 4.06Å; W105-W117 HydrophobicContact CH2-CG 4.01Å; W105-L298 HydrophobicContact CH2-CD2 4.43Å; W105-L298 HydrophobicContact CZ2-CD2 3.86Å; W105-Y302 PolarHBondContact NE1-OH 3.41Å; W105-I325 HydrophobicContact CD2-CD1 4.13Å; W105-I325 HydrophobicContact CE3-CB 4.46Å; W105-I325 HydrophobicContact CE3-CD1 4.16Å; W105-I325 HydrophobicContact CE3-CG2 4.35Å; W105-I325 HydrophobicContact CH2-CD1 3.71Å; W105-I325 HydrophobicContact CZ2-CD1 3.65Å; W105-I325 HydrophobicContact CZ3-CD1 3.98Å; W105-I325 HydrophobicContact CZ3-CG2 4.13Å
106	G	93.9	Very high	94.6	Very high	15 Å²	15	58.5 Å²	58.5	16%	0.155	28%	0.275	C	S	.	.			trans	74.4	-159.4	-169.9	0	0	0	0	0	111.8	Q102 N108	Q102-G106 WeakPolarHBondContact O-CA 3.48Å; Q102-G106 PolarHBondContact O-N 2.74Å; Q102-G106 PolarHBondContact OE1-O 2.71Å; G106-N108 VanDerWaalsContact C-N 3.26Å; G106-N108 PolarHBondContact O-N 2.78Å
107	D	90.3	Very high	94.7	Very high	132 Å²	132	57 Å²	57	71%	0.706	27%	0.268	S	S	*	.	S	Bend	trans	-65.2	-29.3	-175.4	-63.8	-29.1	0	0	0	113.4	Q102	Q102-D107 PolarHBondContact NE2-OD1 3.26Å
108	N	89.6	Confident	94.7	Very high	133 Å²	133	57.1 Å²	57.1	71%	0.711	27%	0.27	S	S	*	.			trans	-132.1	118.1	-173.1	-65.5	-63.4	0	0	0	111.2	G106 R110	G106-N108 VanDerWaalsContact C-N 3.26Å; G106-N108 PolarHBondContact O-N 2.78Å; N108-R110 PolarHBondContact O-N 2.92Å
109	V	93	Very high	94.8	Very high	27 Å²	27	49.3 Å²	49.3	16%	0.164	24%	0.241	C	C	.	.			trans	-83.1	108.8	173.7	-172.4	0	0	0	0	109.6	K101 W105 E111 F114 P262	K101-V109 HydrophobicContact CG-CG2 4.41Å; W105-V109 HydrophobicContact CB-CB 4.36Å; W105-V109 HydrophobicContact CB-CG1 4.47Å; W105-V109 HydrophobicContact CB-CG2 3.57Å; W105-V109 HydrophobicContact CD2-CG1 3.83Å; W105-V109 HydrophobicContact CD2-CG2 4.33Å; W105-V109 HydrophobicContact CE3-CG1 3.69Å; W105-V109 HydrophobicContact CG-CB 4.5Å; W105-V109 HydrophobicContact CG-CG1 4.17Å; W105-V109 HydrophobicContact CG-CG2 3.77Å; W105-V109 HydrophobicContact CZ3-CG1 4.18Å; V109-E111 PolarHBondContact O-N 3.13Å; V109-F114 HydrophobicContact CG1-CB 3.85Å; V109-F114 HydrophobicContact CG1-CD2 3.9Å; V109-F114 HydrophobicContact CG1-CG 4.17Å; V109-P262 HydrophobicContact CB-CB 3.93Å; V109-P262 HydrophobicContact CB-CG 4.28Å; V109-P262 HydrophobicContact CG1-CB 3.75Å; V109-P262 HydrophobicContact CG1-CG 3.9Å
110	R	93.7	Very high	94.9	Very high	96 Å²	96	45.4 Å²	45.4	36%	0.362	22%	0.222	S	C	.	.			trans	-72.2	124.1	176.8	-145.8	178.6	67.4	-166.8	-2.9	110.6	N108 D112 V113 F114 S327 T328	N108-R110 PolarHBondContact O-N 2.92Å; R110-D112 WeakPolarHBondContact CD-OD1 3.41Å; R110-D112 WeakPolarHBondContact CG-OD1 3.18Å; R110-D112 IonicContact CZ-OD1 3.84Å; R110-D112 IonicContact CZ-OD2 2.71Å; R110-D112 IonicContact NE-OD1 3.08Å; R110-D112 PolarHBondContact NE-OD1 3.31Å; R110-D112 IonicContact NE-OD2 3.26Å; R110-D112 PolarHBondContact NE-OD2 2.67Å; R110-D112 IonicContact NH2-OD1 3.57Å; R110-D112 IonicContact NH2-OD2 2.97Å; R110-D112 PolarHBondContact NH2-OD2 3.13Å; R110-D112 PolarHBondContact O-N 3.32Å; R110-V113 HydrophobicContact CB-CB 4.38Å; R110-V113 HydrophobicContact CB-CG2 3.94Å; R110-V113 PolarHBondContact O-N 3.3Å; R110-V113 VanDerWaalsContact O-N 3.14Å; R110-F114 PolarHBondContact O-N 3.32Å; R110-S327 VanDerWaalsContact CZ-O 3.26Å; R110-S327 PolarHBondContact NH1-O 2.78Å; R110-S327 VanDerWaalsContact NH1-O 3.12Å; R110-T328 VanDerWaalsContact NH1-CA 3.25Å; R110-T328 PolarHBondContact NH1-O 2.87Å; R110-T328 PolarHBondContact NH2-O 3.2Å
111	E	93.6	Very high	94.9	Very high	141 Å²	141	45.5 Å²	45.5	66%	0.659	22%	0.223	S	C	*	.	H	α-helix	trans	-59.8	-40.1	-171.3	-67.4	-174.8	169.1	0	0	113.9	V109 F114 K115 P262	V109-E111 PolarHBondContact O-N 3.13Å; E111-F114 PolarHBondContact O-N 3.07Å; E111-K115 WeakPolarHBondContact O-CB 3.42Å; E111-K115 PolarHBondContact O-N 3.39Å; E111-P262 HydrophobicContact CG-CG 4.32Å
112	D	93.7	Very high	94.9	Very high	76 Å²	76	46.5 Å²	46.5	41%	0.406	23%	0.228	S	C	.	.	H	α-helix	trans	-66.8	-36.8	177.9	68.6	-55.9	0	0	0	112.1	R110 R116	R110-D112 WeakPolarHBondContact CD-OD1 3.41Å; R110-D112 WeakPolarHBondContact CG-OD1 3.18Å; R110-D112 IonicContact CZ-OD1 3.84Å; R110-D112 IonicContact CZ-OD2 2.71Å; R110-D112 IonicContact NE-OD1 3.08Å; R110-D112 PolarHBondContact NE-OD1 3.31Å; R110-D112 IonicContact NE-OD2 3.26Å; R110-D112 PolarHBondContact NE-OD2 2.67Å; R110-D112 IonicContact NH2-OD1 3.57Å; R110-D112 IonicContact NH2-OD2 2.97Å; R110-D112 PolarHBondContact NH2-OD2 3.13Å; R110-D112 PolarHBondContact O-N 3.32Å; D112-R116 WeakPolarHBondContact O-CG 3.48Å; D112-R116 PolarHBondContact O-N 2.91Å
113	V	94.6	Very high	95	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-49.7	173.7	-174.1	0	0	0	0	108.9	W105 R110 K115 R116 W117 I325 G330	W105-V113 HydrophobicContact CZ3-CB 4.35Å; W105-V113 HydrophobicContact CZ3-CG1 3.85Å; R110-V113 HydrophobicContact CB-CB 4.38Å; R110-V113 HydrophobicContact CB-CG2 3.94Å; R110-V113 PolarHBondContact O-N 3.3Å; R110-V113 VanDerWaalsContact O-N 3.14Å; V113-K115 VanDerWaalsContact C-N 3.28Å; V113-K115 PolarHBondContact O-N 3.36Å; V113-R116 WeakPolarHBondContact O-CB 3.37Å; V113-R116 PolarHBondContact O-N 3.4Å; V113-W117 VanDerWaalsContact O-CD1 3.3Å; V113-W117 PolarHBondContact O-N 2.96Å; V113-I325 HydrophobicContact CG1-CG2 3.87Å; V113-G330 VanDerWaalsContact CG1-CA 3.5Å
114	F	96.3	Very high	95	Very high	4 Å²	4	43 Å²	43	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-55.1	-44.2	178.7	-177.2	-99.6	0	0	0	112.2	W105 V109 R110 E111 R116 W117 S118 P262 F265 Y295 L298	W105-F114 HydrophobicContact CH2-CB 4.32Å; W105-F114 AromaticContact CH2-CD2 3.85Å; W105-F114 HydrophobicContact CH2-CD2 3.85Å; W105-F114 AromaticContact CZ2-CD2 3.82Å; W105-F114 HydrophobicContact CZ2-CD2 3.82Å; W105-F114 HydrophobicContact CZ2-CE2 4.36Å; W105-F114 HydrophobicContact CZ3-CB 4.31Å; W105-F114 HydrophobicContact CZ3-CD2 4.42Å; V109-F114 HydrophobicContact CG1-CB 3.85Å; V109-F114 HydrophobicContact CG1-CD2 3.9Å; V109-F114 HydrophobicContact CG1-CG 4.17Å; R110-F114 PolarHBondContact O-N 3.32Å; E111-F114 PolarHBondContact O-N 3.07Å; F114-R116 VanDerWaalsContact C-N 3.31Å; F114-R116 PolarHBondContact O-N 3.42Å; F114-W117 PolarHBondContact O-N 3.22Å; F114-W117 VanDerWaalsContact O-N 3.1Å; F114-S118 WeakPolarHBondContact CE1-OG 3.32Å; F114-S118 PolarHBondContact O-N 3.3Å; F114-S118 VanDerWaalsContact O-N 3.07Å; F114-S118 PolarHBondContact O-OG 3.08Å; F114-P262 HydrophobicContact CB-CG 4.05Å; F114-P262 HydrophobicContact CD1-CB 4.31Å; F114-P262 HydrophobicContact CD1-CG 3.81Å; F114-P262 HydrophobicContact CD2-CB 4.21Å; F114-P262 HydrophobicContact CD2-CG 4.33Å; F114-P262 HydrophobicContact CE1-CG 4.37Å; F114-P262 HydrophobicContact CE2-CB 4.42Å; F114-P262 HydrophobicContact CG-CB 4.17Å; F114-P262 HydrophobicContact CG-CG 3.79Å; F114-F265 HydrophobicContact CE1-CB 4.31Å; F114-F265 AromaticContact CE2-CD1 3.8Å; F114-F265 HydrophobicContact CE2-CD1 3.8Å; F114-F265 HydrophobicContact CE2-CE1 4.29Å; F114-F265 HydrophobicContact CE2-CG 4.28Å; F114-F265 HydrophobicContact CZ-CB 3.64Å; F114-F265 AromaticContact CZ-CD1 3.59Å; F114-F265 HydrophobicContact CZ-CD1 3.59Å; F114-F265 HydrophobicContact CZ-CD2 4.35Å; F114-F265 HydrophobicContact CZ-CE1 4.32Å; F114-F265 AromaticContact CZ-CG 3.59Å; F114-F265 HydrophobicContact CZ-CG 3.59Å; F114-Y295 AromaticContact CE1-CE1 3.9Å; F114-Y295 HydrophobicContact CE1-CE1 3.9Å; F114-Y295 HydrophobicContact CZ-CD1 4.43Å; F114-Y295 HydrophobicContact CZ-CE1 4.1Å; F114-L298 HydrophobicContact CD2-CD1 4.24Å; F114-L298 HydrophobicContact CE2-CD1 3.57Å; F114-L298 HydrophobicContact CZ-CD1 3.85Å
115	K	95.1	Very high	94.8	Very high	99 Å²	99	53.2 Å²	53.2	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-59.2	-38.7	176.4	-176.2	166.8	-177.3	151.7	0	112.9	E111 V113 W117 S118 E259	E111-K115 WeakPolarHBondContact O-CB 3.42Å; E111-K115 PolarHBondContact O-N 3.39Å; V113-K115 VanDerWaalsContact C-N 3.28Å; V113-K115 PolarHBondContact O-N 3.36Å; K115-W117 VanDerWaalsContact C-N 3.28Å; K115-W117 PolarHBondContact O-N 2.95Å; K115-S118 PolarHBondContact O-N 3.3Å; K115-E259 WeakPolarHBondContact CE-OE1 3.38Å; K115-E259 IonicContact NZ-OE1 2.78Å; K115-E259 PolarHBondContact NZ-OE1 2.96Å; K115-E259 IonicContact NZ-OE2 3.55Å; K115-E259 PolarHBondContact NZ-OE2 3.48Å
116	R	95	Very high	94.6	Very high	41 Å²	41	55.5 Å²	55.5	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-32.9	176.1	-71.9	-175.8	-65.1	145	-14.8	113	D112 V113 F114 Q135 G136 P138 Y329	D112-R116 WeakPolarHBondContact O-CG 3.48Å; D112-R116 PolarHBondContact O-N 2.91Å; V113-R116 WeakPolarHBondContact O-CB 3.37Å; V113-R116 PolarHBondContact O-N 3.4Å; F114-R116 VanDerWaalsContact C-N 3.31Å; F114-R116 PolarHBondContact O-N 3.42Å; R116-Q135 HydrophobicContact CB-CB 4.27Å; R116-Q135 HydrophobicContact CG-CB 3.92Å; R116-Q135 HydrophobicContact CG-CG 4.47Å; R116-Q135 VanDerWaalsContact CG-OE1 3.32Å; R116-G136 WeakPolarHBondContact CD-O 3.49Å; R116-G136 PolarHBondContact NH1-O 2.82Å; R116-P138 WeakPolarHBondContact O-CG 3.49Å; R116-Y329 VanDerWaalsContact CZ-O 3.3Å; R116-Y329 PolarHBondContact NH1-O 3.44Å; R116-Y329 PolarHBondContact NH2-O 2.92Å
117	W	96.9	Very high	94.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-85.9	-14.8	178.1	-74.1	74.4	0	0	0	114	W105 V113 F114 K115 Q119 G137 P138 A140 V141 L298 M301 I325 G330 L336	W105-W117 HydrophobicContact CH2-CB 4.06Å; W105-W117 HydrophobicContact CH2-CG 4.01Å; V113-W117 VanDerWaalsContact O-CD1 3.3Å; V113-W117 PolarHBondContact O-N 2.96Å; F114-W117 PolarHBondContact O-N 3.22Å; F114-W117 VanDerWaalsContact O-N 3.1Å; K115-W117 VanDerWaalsContact C-N 3.28Å; K115-W117 PolarHBondContact O-N 2.95Å; W117-Q119 PolarHBondContact O-N 2.78Å; W117-G137 WeakPolarHBondContact CZ2-O 3.2Å; W117-P138 HydrophobicContact CD2-CB 4.19Å; W117-P138 HydrophobicContact CE3-CB 4.08Å; W117-A140 HydrophobicContact CH2-CB 4.13Å; W117-V141 HydrophobicContact CZ3-CG2 3.96Å; W117-L298 HydrophobicContact CB-CD2 3.72Å; W117-L298 HydrophobicContact CB-CG 4.21Å; W117-L298 HydrophobicContact CE3-CD2 4.28Å; W117-M301 HydrophobicContact CE3-CE 4.4Å; W117-M301 HydrophobicContact CE3-SD 4.18Å; W117-M301 HydrophobicContact CH2-SD 4.48Å; W117-M301 HydrophobicContact CZ3-CE 4.43Å; W117-M301 HydrophobicContact CZ3-SD 3.66Å; W117-I325 HydrophobicContact CD2-CD1 3.99Å; W117-I325 HydrophobicContact CE3-CD1 4.17Å; W117-I325 HydrophobicContact CH2-CD1 4.1Å; W117-I325 HydrophobicContact CH2-CG1 4.06Å; W117-I325 HydrophobicContact CZ2-CB 4.5Å; W117-I325 HydrophobicContact CZ2-CD1 3.93Å; W117-I325 HydrophobicContact CZ2-CG1 3.8Å; W117-I325 HydrophobicContact CZ2-CG2 4.02Å; W117-I325 HydrophobicContact CZ3-CD1 4.22Å; W117-G330 PolarHBondContact NE1-O 3.07Å; W117-L336 HydrophobicContact CH2-CD2 3.71Å; W117-L336 HydrophobicContact CZ3-CD2 4.18Å
118	S	96.6	Very high	94.9	Very high	10 Å²	10	51.6 Å²	51.6	7%	0.07	25%	0.247	C	C	.	.			trans	-75.9	12.2	-173.4	-64.2	0	0	0	0	114.8	F114 K115 T294 Y295	F114-S118 WeakPolarHBondContact CE1-OG 3.32Å; F114-S118 PolarHBondContact O-N 3.3Å; F114-S118 VanDerWaalsContact O-N 3.07Å; F114-S118 PolarHBondContact O-OG 3.08Å; K115-S118 PolarHBondContact O-N 3.3Å; S118-T294 CarbonylContact O-C 3.53Å; S118-T294 WeakPolarHBondContact O-CA 3.47Å; S118-T294 WeakPolarHBondContact O-CG2 3.32Å; S118-Y295 VanDerWaalsContact CB-CE1 3.46Å; S118-Y295 PolarHBondContact O-N 2.85Å; S118-Y295 VanDerWaalsContact OG-CE1 3.27Å; S118-Y295 WeakPolarHBondContact OG-CE1 3.46Å
119	Q	95.9	Very high	95.2	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.042	21%	0.213	C	C	.	.			trans	-76.8	161.1	175.7	62.7	164.5	78.4	0	0	112.6	W117 V132 K134 P138 I142 G296 V297	W117-Q119 PolarHBondContact O-N 2.78Å; Q119-V132 PolarHBondContact NE2-O 2.78Å; Q119-K134 HydrophobicContact CB-CD 4.25Å; Q119-P138 HydrophobicContact CG-CG 4.32Å; Q119-I142 HydrophobicContact CG-CD1 4.44Å; Q119-G296 PolarHBondContact O-N 2.93Å; Q119-V297 HydrophobicContact CG-CG2 4.06Å; Q119-V297 WeakPolarHBondContact O-CB 3.49Å; Q119-V297 WeakPolarHBondContact O-CG2 3.28Å; Q119-V297 PolarHBondContact O-N 2.91Å; Q119-V297 VanDerWaalsContact O-N 3.1Å
120	G	97.2	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.			trans	-87.5	-176.8	165.9	0	0	0	0	0	112.7	E122 L291 H293	G120-E122 PolarHBondContact O-N 3.08Å; G120-L291 WeakPolarHBondContact CA-O 3.39Å; G120-H293 WeakPolarHBondContact CA-O 3.09Å; G120-H293 PolarHBondContact N-O 3.34Å
121	F	98.1	Very high	95.6	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.013	19%	0.188	C	C	.	.			trans	-87.3	94.3	167	-65.6	-74.4	0	0	0	109.6	L131 V141 V145 L174 L178 L291 G296 V297 F300	F121-L131 HydrophobicContact CB-CD2 4.09Å; F121-L131 HydrophobicContact CD1-CD1 4.06Å; F121-L131 HydrophobicContact CD1-CD2 4.44Å; F121-V141 HydrophobicContact CE1-CG1 4.3Å; F121-V141 HydrophobicContact CZ-CG1 3.99Å; F121-V145 HydrophobicContact CD1-CG1 4.33Å; F121-V145 HydrophobicContact CE1-CB 4.15Å; F121-V145 HydrophobicContact CE1-CG1 4.03Å; F121-V145 HydrophobicContact CE1-CG2 3.94Å; F121-V145 HydrophobicContact CZ-CG2 4.18Å; F121-L174 HydrophobicContact CB-CD1 4.24Å; F121-L174 HydrophobicContact CB-CD2 3.58Å; F121-L174 HydrophobicContact CD1-CD1 4.21Å; F121-L174 HydrophobicContact CG-CD1 4.12Å; F121-L174 HydrophobicContact CG-CD2 4.18Å; F121-L178 HydrophobicContact CE2-CD2 4.15Å; F121-L178 HydrophobicContact CZ-CD2 4Å; F121-L291 HydrophobicContact CD2-CB 4.3Å; F121-L291 PolarHBondContact N-O 3.02Å; F121-G296 WeakPolarHBondContact CE2-O 3.02Å; F121-V297 HydrophobicContact CD1-CG2 4.21Å; F121-V297 HydrophobicContact CE1-CG2 3.96Å; F121-V297 HydrophobicContact CE2-CG2 4.34Å; F121-V297 HydrophobicContact CZ-CB 4.5Å; F121-V297 HydrophobicContact CZ-CG2 4.03Å; F121-F300 HydrophobicContact CE2-CB 3.86Å; F121-F300 HydrophobicContact CE2-CG 4.38Å; F121-F300 HydrophobicContact CZ-CB 4.15Å; F121-F300 HydrophobicContact CZ-CD1 4.1Å; F121-F300 HydrophobicContact CZ-CG 4.39Å
122	E	96.7	Very high	95.8	Very high	70 Å²	70	33.9 Å²	33.9	33%	0.327	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.4	-179.2	-69.8	169.5	-136.6	0	0	110.4	G120 L131 V132 K134	G120-E122 PolarHBondContact O-N 3.08Å; E122-L131 CarbonylContact O-C 3.35Å; E122-L131 WeakPolarHBondContact O-CA 3.42Å; E122-V132 PolarHBondContact O-N 2.78Å; E122-K134 VanDerWaalsContact CD-NZ 3.3Å; E122-K134 WeakPolarHBondContact OE1-CE 3.28Å; E122-K134 IonicContact OE1-NZ 3.92Å; E122-K134 PolarHBondContact OE1-NZ 2.97Å; E122-K134 WeakPolarHBondContact OE2-CE 3.36Å; E122-K134 IonicContact OE2-NZ 3.82Å; E122-K134 PolarHBondContact OE2-NZ 2.85Å
123	F	97	Very high	96	Very high	26 Å²	26	30.3 Å²	30.3	11%	0.114	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	148.2	176	-75.2	-76.3	0	0	0	112.2	P128 A130 L131 L149 L167 S170 L174	F123-P128 WeakPolarHBondContact CD1-O 3.37Å; F123-P128 WeakPolarHBondContact CG-O 3.33Å; F123-A130 CarbonylContact C-O 3.58Å; F123-A130 WeakPolarHBondContact CA-O 3.39Å; F123-L131 HydrophobicContact CD1-CD2 4.05Å; F123-L131 HydrophobicContact CE1-CD2 3.82Å; F123-L131 HydrophobicContact CE1-CG 4.24Å; F123-L131 HydrophobicContact CE2-CD2 4.34Å; F123-L131 HydrophobicContact CG-CD2 4.42Å; F123-L131 HydrophobicContact CZ-CD2 3.98Å; F123-L149 HydrophobicContact CE1-CD1 3.67Å; F123-L149 HydrophobicContact CZ-CD1 3.76Å; F123-L167 HydrophobicContact CB-CD1 4.25Å; F123-L167 HydrophobicContact CD2-CD1 4.26Å; F123-S170 VanDerWaalsContact CZ-O 3.31Å; F123-S170 WeakPolarHBondContact CZ-O 3.2Å; F123-L174 HydrophobicContact CE2-CB 4.26Å; F123-L174 HydrophobicContact CE2-CD2 4.28Å; F123-L174 HydrophobicContact CZ-CB 4Å
124	S	95.7	Very high	96	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.07	17%	0.166	C	C	.	.			trans	-65.3	137.3	174.8	175.3	0	0	0	0	110.4	V126 E127 A130 V513	S124-V126 PolarHBondContact O-N 3.26Å; S124-V126 VanDerWaalsContact OG-CG2 3.29Å; S124-V126 WeakPolarHBondContact OG-CG2 3.47Å; S124-V126 PolarHBondContact OG-N 3.37Å; S124-E127 WeakPolarHBondContact CB-O 3.43Å; S124-E127 CarbonylContact O-C 3.56Å; S124-E127 PolarHBondContact OG-N 3.29Å; S124-A130 PolarHBondContact N-O 2.83Å; S124-V513 PolarHBondContact OG-O 2.99Å
125	K	92	Very high	95.7	Very high	214 Å²	214	39.3 Å²	39.3	93%	0.93	19%	0.185	S	C	*	.	S	Bend	trans	-69.8	-17	176	-64.8	-176.3	179.4	-179.7	0	113.2
126	V	92.8	Very high	95.3	Very high	56 Å²	56	36.1 Å²	36.1	34%	0.339	18%	0.181	S	C	.	.	S	Bend	trans	-107.3	-25.4	179.8	-64.8	0	0	0	0	113.4	S124 K512 V513 R514	S124-V126 PolarHBondContact O-N 3.26Å; S124-V126 VanDerWaalsContact OG-CG2 3.29Å; S124-V126 WeakPolarHBondContact OG-CG2 3.47Å; S124-V126 PolarHBondContact OG-N 3.37Å; V126-K512 HydrophobicContact CG1-CD 3.87Å; V126-K512 HydrophobicContact CG2-CB 3.95Å; V126-K512 HydrophobicContact CG2-CD 4.4Å; V126-V513 WeakPolarHBondContact CG2-O 3.45Å; V126-R514 HydrophobicContact CG2-CG 4.36Å
127	E	94.7	Very high	95.1	Very high	35 Å²	35	34.3 Å²	34.3	16%	0.164	18%	0.175	C	C	.	.			trans	-124.9	91.3	174.5	-70.5	-59	163.3	0	0	108.6	S124 S129 A130 Y515	S124-E127 WeakPolarHBondContact CB-O 3.43Å; S124-E127 CarbonylContact O-C 3.56Å; S124-E127 PolarHBondContact OG-N 3.29Å; E127-S129 PolarHBondContact O-N 2.7Å; E127-A130 HydrophobicContact CB-CB 3.61Å; E127-A130 PolarHBondContact O-N 2.72Å; E127-Y515 HydrophobicContact CB-CD2 4.28Å; E127-Y515 HydrophobicContact CB-CE2 4.06Å; E127-Y515 HydrophobicContact CG-CD2 3.92Å; E127-Y515 HydrophobicContact CG-CE2 4.22Å; E127-Y515 WeakPolarHBondContact OE2-CD2 3.4Å
128	P	94.5	Very high	95.1	Very high	30 Å²	30	34.3 Å²	34.3	20%	0.195	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.2	-171.5	-26.4	35.2	0	0	0	114.9	F123 I165 S170	F123-P128 WeakPolarHBondContact CD1-O 3.37Å; F123-P128 WeakPolarHBondContact CG-O 3.33Å; P128-I165 WeakPolarHBondContact CB-O 3.2Å; P128-S170 WeakPolarHBondContact O-CB 3.41Å; P128-S170 PolarHBondContact O-OG 3.25Å
129	S	96.1	Very high	95.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-3.4	177	59.4	0	0	0	0	114.1	E127 Q146 L149 L162 Y515	E127-S129 PolarHBondContact O-N 2.7Å; S129-Q146 PolarHBondContact O-NE2 2.71Å; S129-L149 WeakPolarHBondContact O-CD2 3.07Å; S129-L162 PolarHBondContact OG-O 3.31Å; S129-Y515 VanDerWaalsContact C-OH 3.27Å; S129-Y515 PolarHBondContact O-OH 2.66Å; S129-Y515 VanDerWaalsContact O-OH 3.09Å; S129-Y515 WeakPolarHBondContact OG-CE2 3.38Å; S129-Y515 PolarHBondContact OG-OH 3.35Å; S129-Y515 VanDerWaalsContact OG-OH 3.09Å
130	A	97.7	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.			trans	-101.3	126.5	-177	0	0	0	0	0	110.9	F123 S124 E127 Y501 V513 Y515	F123-A130 CarbonylContact C-O 3.58Å; F123-A130 WeakPolarHBondContact CA-O 3.39Å; S124-A130 PolarHBondContact N-O 2.83Å; E127-A130 HydrophobicContact CB-CB 3.61Å; E127-A130 PolarHBondContact O-N 2.72Å; A130-Y501 HydrophobicContact CB-CD2 4.08Å; A130-Y501 HydrophobicContact CB-CE2 3.93Å; A130-V513 HydrophobicContact CB-CG1 3.76Å; A130-Y515 HydrophobicContact CB-CE2 3.96Å; A130-Y515 PolarHBondContact N-OH 2.97Å
131	L	98.2	Very high	95.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	152.3	171.3	-67.7	171.4	0	0	0	111.3	F121 E122 F123 I142 V145 Q146 L174 Y501	F121-L131 HydrophobicContact CB-CD2 4.09Å; F121-L131 HydrophobicContact CD1-CD1 4.06Å; F121-L131 HydrophobicContact CD1-CD2 4.44Å; E122-L131 CarbonylContact O-C 3.35Å; E122-L131 WeakPolarHBondContact O-CA 3.42Å; F123-L131 HydrophobicContact CD1-CD2 4.05Å; F123-L131 HydrophobicContact CE1-CD2 3.82Å; F123-L131 HydrophobicContact CE1-CG 4.24Å; F123-L131 HydrophobicContact CE2-CD2 4.34Å; F123-L131 HydrophobicContact CG-CD2 4.42Å; F123-L131 HydrophobicContact CZ-CD2 3.98Å; L131-I142 HydrophobicContact CB-CG2 4.08Å; L131-I142 HydrophobicContact CD1-CG2 4.35Å; L131-V145 HydrophobicContact CD1-CB 4.29Å; L131-V145 HydrophobicContact CD1-CG1 3.77Å; L131-Q146 HydrophobicContact CD1-CB 4.43Å; L131-L174 HydrophobicContact CD1-CD1 4.48Å; L131-Y501 WeakPolarHBondContact O-CE2 3.31Å; L131-Y501 PolarHBondContact O-OH 2.88Å
132	V	98	Very high	95.3	Very high	24 Å²	24	33.4 Å²	33.4	15%	0.145	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.1	176	-179.8	0	0	0	0	109.6	Q119 E122 P505 V513	Q119-V132 PolarHBondContact NE2-O 2.78Å; E122-V132 PolarHBondContact O-N 2.78Å; V132-P505 HydrophobicContact CG1-CG 3.84Å; V132-V513 HydrophobicContact CG1-CG2 4.39Å; V132-V513 HydrophobicContact CG2-CB 4.49Å; V132-V513 HydrophobicContact CG2-CG2 4.09Å
133	Q	96.9	Very high	95.4	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	16%	0.155	C	C	.	.			trans	-102.8	113.7	169.2	177.8	176.2	-31.7	0	0	108.9	Q135 P138 I142 H403 G503 I504 P505	Q133-Q135 WeakPolarHBondContact CG-O 3.22Å; Q133-Q135 PolarHBondContact NE2-O 2.91Å; Q133-P138 HydrophobicContact CG-CG 4.25Å; Q133-I142 HydrophobicContact CB-CD1 3.97Å; Q133-I142 HydrophobicContact CG-CD1 4.01Å; Q133-H403 PolarHBondContact OE1-CE1 3.31Å; Q133-G503 PolarHBondContact N-O 2.73Å; Q133-I504 HydrophobicContact CB-CG1 4.27Å; Q133-I504 HydrophobicContact CG-CG1 4.11Å; Q133-P505 WeakPolarHBondContact O-CD 3.44Å
134	K	94.6	Very high	95.5	Very high	107 Å²	107	28.9 Å²	28.9	47%	0.465	15%	0.149	S	C	.	.			trans	-70.8	-35.4	-175.7	-62.6	-176.7	-177.7	178.6	0	112.2	Q119 E122	Q119-K134 HydrophobicContact CB-CD 4.25Å; E122-K134 VanDerWaalsContact CD-NZ 3.3Å; E122-K134 WeakPolarHBondContact OE1-CE 3.28Å; E122-K134 IonicContact OE1-NZ 3.92Å; E122-K134 PolarHBondContact OE1-NZ 2.97Å; E122-K134 WeakPolarHBondContact OE2-CE 3.36Å; E122-K134 IonicContact OE2-NZ 3.82Å; E122-K134 PolarHBondContact OE2-NZ 2.85Å
135	Q	89.8	Confident	95.6	Very high	88 Å²	88	28.4 Å²	28.4	41%	0.411	15%	0.146	S	C	.	.	S	Bend	trans	-146.4	161.3	-173.2	-63.2	-176.2	70.4	0	0	111	R116 Q133	R116-Q135 HydrophobicContact CB-CB 4.27Å; R116-Q135 HydrophobicContact CG-CB 3.92Å; R116-Q135 HydrophobicContact CG-CG 4.47Å; R116-Q135 VanDerWaalsContact CG-OE1 3.32Å; Q133-Q135 WeakPolarHBondContact CG-O 3.22Å; Q133-Q135 PolarHBondContact NE2-O 2.91Å
136	G	88	Confident	95.9	Very high	33 Å²	33	18.2 Å²	18.2	34%	0.34	10%	0.101	S	C	.	.	S	Bend	trans	-64	143.6	171.9	0	0	0	0	0	112.4	R116	R116-G136 WeakPolarHBondContact CD-O 3.49Å; R116-G136 PolarHBondContact NH1-O 2.82Å
137	G	89.9	Confident	96.2	Very high	3 Å²	3	15.6 Å²	15.6	3%	0.031	9%	0.085	C	C	.	.	S	Bend	trans	130.3	-73	-179.5	0	0	0	0	0	113.5	W117 C139 G330	W117-G137 WeakPolarHBondContact CZ2-O 3.2Å; G137-C139 PolarHBondContact O-N 3.19Å; G137-G330 VanDerWaalsContact CA-O 3.23Å; G137-G330 WeakPolarHBondContact CA-O 3.39Å
138	P	96.5	Very high	96.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	2.5	-172.3	28.8	-37.3	0	0	0	115.3	R116 W117 Q119 Q133 A140 V141 I142 V297	R116-P138 WeakPolarHBondContact O-CG 3.49Å; W117-P138 HydrophobicContact CD2-CB 4.19Å; W117-P138 HydrophobicContact CE3-CB 4.08Å; Q119-P138 HydrophobicContact CG-CG 4.32Å; Q133-P138 HydrophobicContact CG-CG 4.25Å; P138-A140 PolarHBondContact O-N 3.38Å; P138-A140 VanDerWaalsContact O-N 3.12Å; P138-V141 PolarHBondContact O-N 3.42Å; P138-I142 HydrophobicContact CB-CD1 3.84Å; P138-I142 HydrophobicContact CB-CG1 4.4Å; P138-I142 HydrophobicContact CG-CD1 3.85Å; P138-I142 PolarHBondContact O-N 3.47Å; P138-V297 HydrophobicContact CB-CG1 3.98Å
139	C	97.6	Very high	96.6	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.007	7%	0.068	C	C	.	.	H	α-helix	trans	-52.5	-30.8	175.4	64.7	0	0	0	0	113.2	G137 V141 I142 A143 P144 L404	G137-C139 PolarHBondContact O-N 3.19Å; C139-V141 PolarHBondContact O-N 3.31Å; C139-V141 VanDerWaalsContact O-N 3.13Å; C139-I142 PolarHBondContact O-N 3.49Å; C139-A143 VanDerWaalsContact O-CB 3.27Å; C139-A143 WeakPolarHBondContact O-CB 3.47Å; C139-A143 PolarHBondContact O-N 3.12Å; C139-P144 WeakPolarHBondContact O-CD 3.27Å; C139-L404 HydrophobicContact CB-CB 4.02Å; C139-L404 HydrophobicContact CB-CD1 4.4Å; C139-L404 HydrophobicContact CB-CG 4.49Å
140	A	97.6	Very high	96.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.1	-16.8	176.3	0	0	0	0	0	113.7	W117 P138 P144 L336 I337 L404	W117-A140 HydrophobicContact CH2-CB 4.13Å; P138-A140 PolarHBondContact O-N 3.38Å; P138-A140 VanDerWaalsContact O-N 3.12Å; A140-P144 WeakPolarHBondContact O-CG 3.46Å; A140-L336 HydrophobicContact CB-CD2 4.11Å; A140-L336 HydrophobicContact CB-CG 4.28Å; A140-I337 HydrophobicContact CB-CG1 3.79Å; A140-L404 HydrophobicContact CB-CD1 4.27Å
141	V	98.6	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-107.5	-46.6	171.8	174.2	0	0	0	0	110.5	W117 F121 P138 C139 P144 V145 V297 F300 M301 M340	W117-V141 HydrophobicContact CZ3-CG2 3.96Å; F121-V141 HydrophobicContact CE1-CG1 4.3Å; F121-V141 HydrophobicContact CZ-CG1 3.99Å; P138-V141 PolarHBondContact O-N 3.42Å; C139-V141 PolarHBondContact O-N 3.31Å; C139-V141 VanDerWaalsContact O-N 3.13Å; V141-P144 WeakPolarHBondContact O-CD 3.4Å; V141-V145 HydrophobicContact CG1-CG2 4.37Å; V141-V145 WeakPolarHBondContact O-CG2 3.46Å; V141-V145 PolarHBondContact O-N 2.95Å; V141-V145 VanDerWaalsContact O-N 3.1Å; V141-V297 HydrophobicContact CB-CG1 3.87Å; V141-V297 HydrophobicContact CG1-CG1 3.81Å; V141-V297 HydrophobicContact CG2-CG1 4.34Å; V141-F300 HydrophobicContact CG1-CD1 4.22Å; V141-M301 HydrophobicContact CG2-CB 4.09Å; V141-M301 HydrophobicContact CG2-CG 4.13Å; V141-M301 HydrophobicContact CG2-SD 4.12Å; V141-M340 HydrophobicContact CB-CE 4.26Å; V141-M340 HydrophobicContact CG1-CE 3.77Å; V141-M340 HydrophobicContact CG2-CE 4.23Å; V141-M340 HydrophobicContact CG2-SD 4.43Å
142	I	98.6	Very high	96.6	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-66	-43.5	-173.8	-64.1	168.3	0	0	0	112.1	Q119 L131 Q133 P138 C139 V145 Q146 V297	Q119-I142 HydrophobicContact CG-CD1 4.44Å; L131-I142 HydrophobicContact CB-CG2 4.08Å; L131-I142 HydrophobicContact CD1-CG2 4.35Å; Q133-I142 HydrophobicContact CB-CD1 3.97Å; Q133-I142 HydrophobicContact CG-CD1 4.01Å; P138-I142 HydrophobicContact CB-CD1 3.84Å; P138-I142 HydrophobicContact CB-CG1 4.4Å; P138-I142 HydrophobicContact CG-CD1 3.85Å; P138-I142 PolarHBondContact O-N 3.47Å; C139-I142 PolarHBondContact O-N 3.49Å; I142-V145 PolarHBondContact O-N 3.43Å; I142-Q146 WeakPolarHBondContact O-CB 3.32Å; I142-Q146 PolarHBondContact O-N 3.44Å; I142-V297 HydrophobicContact CD1-CG2 4.32Å; I142-V297 HydrophobicContact CG1-CG2 4.07Å
143	A	98.6	Very high	96.6	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-67.2	-45.3	-178	0	0	0	0	0	112.2	C139 V145 Q146 A147 V397 L404 V406	C139-A143 VanDerWaalsContact O-CB 3.27Å; C139-A143 WeakPolarHBondContact O-CB 3.47Å; C139-A143 PolarHBondContact O-N 3.12Å; A143-V145 PolarHBondContact O-N 3.39Å; A143-Q146 PolarHBondContact O-N 3.29Å; A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 2.85Å; A143-V397 HydrophobicContact CB-CG1 4.3Å; A143-L404 HydrophobicContact CB-CB 3.64Å; A143-V406 HydrophobicContact CB-CG2 4.19Å; A143-V406 WeakPolarHBondContact O-CG2 3.49Å
144	P	98.8	Very high	96.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.1	-44.5	169.1	-30.3	38.1	0	0	0	113.6	C139 A140 V141 Q146 A147 Y148 M340 L341	C139-P144 WeakPolarHBondContact O-CD 3.27Å; A140-P144 WeakPolarHBondContact O-CG 3.46Å; V141-P144 WeakPolarHBondContact O-CD 3.4Å; P144-Q146 PolarHBondContact O-N 3.02Å; P144-A147 WeakPolarHBondContact O-CB 3.2Å; P144-A147 PolarHBondContact O-N 3.38Å; P144-Y148 WeakPolarHBondContact O-CD2 3.4Å; P144-Y148 PolarHBondContact O-N 3.44Å; P144-M340 HydrophobicContact CB-CB 3.8Å; P144-M340 HydrophobicContact CG-CB 3.86Å; P144-L341 HydrophobicContact CB-CD2 3.91Å; P144-L341 HydrophobicContact CB-CG 4.44Å; P144-L341 HydrophobicContact CG-CD2 4.09Å; P144-L341 HydrophobicContact CG-CG 4.29Å
145	V	98.8	Very high	96.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.1	-44.3	178.1	174.1	0	0	0	0	111.3	F121 L131 V141 I142 A143 A147 Y148 L149 L174 L178 I181 F300 M340	F121-V145 HydrophobicContact CD1-CG1 4.33Å; F121-V145 HydrophobicContact CE1-CB 4.15Å; F121-V145 HydrophobicContact CE1-CG1 4.03Å; F121-V145 HydrophobicContact CE1-CG2 3.94Å; F121-V145 HydrophobicContact CZ-CG2 4.18Å; L131-V145 HydrophobicContact CD1-CB 4.29Å; L131-V145 HydrophobicContact CD1-CG1 3.77Å; V141-V145 HydrophobicContact CG1-CG2 4.37Å; V141-V145 WeakPolarHBondContact O-CG2 3.46Å; V141-V145 PolarHBondContact O-N 2.95Å; V141-V145 VanDerWaalsContact O-N 3.1Å; I142-V145 PolarHBondContact O-N 3.43Å; A143-V145 PolarHBondContact O-N 3.39Å; V145-A147 VanDerWaalsContact C-N 3.32Å; V145-A147 PolarHBondContact O-N 2.92Å; V145-Y148 PolarHBondContact O-N 3.31Å; V145-L149 WeakPolarHBondContact O-CB 3.23Å; V145-L149 PolarHBondContact O-N 2.89Å; V145-L174 HydrophobicContact CG1-CD1 3.5Å; V145-L174 VanDerWaalsContact CG1-CD1 3.5Å; V145-L178 HydrophobicContact CG1-CD2 3.89Å; V145-L178 HydrophobicContact CG2-CD2 3.71Å; V145-I181 HydrophobicContact CB-CD1 4.42Å; V145-I181 HydrophobicContact CG2-CD1 3.63Å; V145-F300 HydrophobicContact CG2-CD1 4.38Å; V145-F300 HydrophobicContact CG2-CE1 4.05Å; V145-M340 HydrophobicContact CG2-CE 4.49Å
146	Q	98.8	Very high	96.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.2	-40.8	174.9	-176.6	66	31.1	0	0	111.7	S129 L131 I142 A143 P144 L149 L150 V406 Y501 Y515	S129-Q146 PolarHBondContact O-NE2 2.71Å; L131-Q146 HydrophobicContact CD1-CB 4.43Å; I142-Q146 WeakPolarHBondContact O-CB 3.32Å; I142-Q146 PolarHBondContact O-N 3.44Å; A143-Q146 PolarHBondContact O-N 3.29Å; P144-Q146 PolarHBondContact O-N 3.02Å; Q146-L149 WeakPolarHBondContact O-CB 3.12Å; Q146-L149 PolarHBondContact O-N 3.15Å; Q146-L150 HydrophobicContact CG-CD1 4.01Å; Q146-L150 HydrophobicContact CG-CG 4.48Å; Q146-L150 WeakPolarHBondContact O-CG 3.42Å; Q146-L150 PolarHBondContact O-N 3.39Å; Q146-V406 HydrophobicContact CB-CG2 4.26Å; Q146-V406 HydrophobicContact CG-CG2 4.34Å; Q146-Y501 HydrophobicContact CB-CD1 4.35Å; Q146-Y501 HydrophobicContact CB-CE1 3.88Å; Q146-Y501 HydrophobicContact CG-CD1 3.65Å; Q146-Y501 HydrophobicContact CG-CD2 4.09Å; Q146-Y501 HydrophobicContact CG-CE1 3.55Å; Q146-Y501 HydrophobicContact CG-CE2 3.97Å; Q146-Y501 HydrophobicContact CG-CG 3.92Å; Q146-Y515 PolarHBondContact NE2-OH 2.9Å
147	A	98.8	Very high	96.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.5	-42.9	177.8	0	0	0	0	0	112	A143 P144 V145 L149 L150 K151 I370 V395 V397 V406	A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 2.85Å; P144-A147 WeakPolarHBondContact O-CB 3.2Å; P144-A147 PolarHBondContact O-N 3.38Å; V145-A147 VanDerWaalsContact C-N 3.32Å; V145-A147 PolarHBondContact O-N 2.92Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 3.12Å; A147-L150 PolarHBondContact O-N 2.77Å; A147-K151 WeakPolarHBondContact O-CB 3.32Å; A147-K151 PolarHBondContact O-N 2.77Å; A147-I370 HydrophobicContact CB-CD1 4.19Å; A147-I370 HydrophobicContact CB-CG1 4.31Å; A147-I370 HydrophobicContact CB-CG2 3.57Å; A147-V395 HydrophobicContact CB-CG1 3.77Å; A147-V397 HydrophobicContact CB-CG2 3.9Å; A147-V406 HydrophobicContact CB-CG1 3.94Å; A147-V406 HydrophobicContact CB-CG2 4.2Å
148	Y	98.7	Very high	96.4	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-37.8	172.5	-88.7	-80.4	0	0	0	112.7	P144 V145 K151 I152 D180 I181 N184 L341 D369 I370	P144-Y148 WeakPolarHBondContact O-CD2 3.4Å; P144-Y148 PolarHBondContact O-N 3.44Å; V145-Y148 PolarHBondContact O-N 3.31Å; Y148-K151 HydrophobicContact CD1-CD 4.16Å; Y148-K151 HydrophobicContact CE1-CD 4.3Å; Y148-K151 WeakPolarHBondContact O-CB 3.34Å; Y148-K151 PolarHBondContact O-N 3.09Å; Y148-I152 WeakPolarHBondContact O-CD1 3.46Å; Y148-I152 VanDerWaalsContact O-CG1 3.27Å; Y148-I152 WeakPolarHBondContact O-CG1 3.47Å; Y148-I152 PolarHBondContact O-N 2.99Å; Y148-I152 VanDerWaalsContact O-N 3.09Å; Y148-D180 HydrophobicContact CD1-CB 3.71Å; Y148-D180 HydrophobicContact CE1-CB 3.94Å; Y148-I181 HydrophobicContact CD2-CD1 3.8Å; Y148-I181 HydrophobicContact CD2-CG1 3.41Å; Y148-I181 VanDerWaalsContact CD2-CG1 3.41Å; Y148-I181 HydrophobicContact CE2-CD1 4.39Å; Y148-I181 HydrophobicContact CE2-CG1 3.62Å; Y148-I181 HydrophobicContact CG-CD1 4.39Å; Y148-I181 HydrophobicContact CG-CG1 3.97Å; Y148-N184 PolarHBondContact OH-ND2 3.42Å; Y148-L341 PolarHBondContact OH-O 3.19Å; Y148-L341 VanDerWaalsContact OH-O 3.05Å; Y148-D369 HydrophobicContact CE1-CB 4.25Å; Y148-I370 HydrophobicContact CD1-CG1 4.37Å; Y148-I370 HydrophobicContact CD2-CG1 3.86Å; Y148-I370 HydrophobicContact CE1-CG1 4.15Å; Y148-I370 HydrophobicContact CE2-CG1 3.63Å; Y148-I370 HydrophobicContact CG-CG1 4.2Å
149	L	98.1	Very high	95.8	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-47.4	174.8	-170.9	154.2	0	0	0	110.8	F123 S129 V145 Q146 A147 I152 I153 L173 A177	F123-L149 HydrophobicContact CE1-CD1 3.67Å; F123-L149 HydrophobicContact CZ-CD1 3.76Å; S129-L149 WeakPolarHBondContact O-CD2 3.07Å; V145-L149 WeakPolarHBondContact O-CB 3.23Å; V145-L149 PolarHBondContact O-N 2.89Å; Q146-L149 WeakPolarHBondContact O-CB 3.12Å; Q146-L149 PolarHBondContact O-N 3.15Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 3.12Å; L149-I152 PolarHBondContact O-N 3.36Å; L149-I153 HydrophobicContact CD2-CD1 3.4Å; L149-I153 HydrophobicContact CD2-CG1 4.24Å; L149-I153 WeakPolarHBondContact O-CG1 3.25Å; L149-I153 PolarHBondContact O-N 2.92Å; L149-L173 HydrophobicContact CD1-CB 4.36Å; L149-L173 HydrophobicContact CG-CB 4.1Å; L149-A177 HydrophobicContact CB-CB 4.28Å
150	L	97.9	Very high	95.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-39.4	177.2	-71.1	166	0	0	0	112.3	Q146 A147 I152 I153 I154 L162 V395 V406 F408 Y515	Q146-L150 HydrophobicContact CG-CD1 4.01Å; Q146-L150 HydrophobicContact CG-CG 4.48Å; Q146-L150 WeakPolarHBondContact O-CG 3.42Å; Q146-L150 PolarHBondContact O-N 3.39Å; A147-L150 PolarHBondContact O-N 2.77Å; L150-I152 VanDerWaalsContact C-N 3.32Å; L150-I152 PolarHBondContact O-N 3.15Å; L150-I153 PolarHBondContact O-N 3.31Å; L150-I154 WeakPolarHBondContact O-CD1 3.37Å; L150-I154 VanDerWaalsContact O-CG1 3.22Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 3.02Å; L150-L162 HydrophobicContact CD2-CD2 4.34Å; L150-V395 HydrophobicContact CB-CG1 4.5Å; L150-V406 HydrophobicContact CD1-CB 4.35Å; L150-V406 HydrophobicContact CD1-CG1 3.74Å; L150-F408 HydrophobicContact CD1-CD1 3.58Å; L150-F408 HydrophobicContact CD1-CE1 3.73Å; L150-F408 HydrophobicContact CD1-CG 4.18Å; L150-F408 HydrophobicContact CD1-CZ 4.43Å; L150-F408 HydrophobicContact CD2-CD1 4.26Å; L150-F408 HydrophobicContact CD2-CD2 4.41Å; L150-F408 HydrophobicContact CD2-CE1 3.86Å; L150-F408 HydrophobicContact CD2-CE2 4.01Å; L150-F408 HydrophobicContact CD2-CZ 3.71Å; L150-F408 HydrophobicContact CG-CD1 4.42Å; L150-F408 HydrophobicContact CG-CE1 4.41Å; L150-Y515 HydrophobicContact CD1-CE1 4.46Å; L150-Y515 HydrophobicContact CD2-CE1 4.05Å
151	K	97.5	Very high	95.1	Very high	10 Å²	10	29.7 Å²	29.7	4%	0.043	18%	0.175	C	C	.	.	H	α-helix	trans	-52.7	-51.2	171.7	-179.5	-160.8	102.5	179.5	0	110.9	A147 Y148 I153 I154 M155 D180 D369 I370 Y393 V395	A147-K151 WeakPolarHBondContact O-CB 3.32Å; A147-K151 PolarHBondContact O-N 2.77Å; Y148-K151 HydrophobicContact CD1-CD 4.16Å; Y148-K151 HydrophobicContact CE1-CD 4.3Å; Y148-K151 WeakPolarHBondContact O-CB 3.34Å; Y148-K151 PolarHBondContact O-N 3.09Å; K151-I153 VanDerWaalsContact C-N 3.34Å; K151-I153 PolarHBondContact O-N 3.1Å; K151-I154 PolarHBondContact O-N 3.43Å; K151-M155 HydrophobicContact CG-SD 4.02Å; K151-M155 WeakPolarHBondContact O-CB 3.47Å; K151-M155 VanDerWaalsContact O-CG 3.25Å; K151-M155 WeakPolarHBondContact O-CG 3.34Å; K151-M155 PolarHBondContact O-N 2.92Å; K151-D180 IonicContact NZ-OD2 3.8Å; K151-D180 PolarHBondContact NZ-OD2 2.85Å; K151-D369 HydrophobicContact CD-CB 4.24Å; K151-D369 IonicContact NZ-OD2 2.67Å; K151-D369 PolarHBondContact NZ-OD2 3.47Å; K151-I370 HydrophobicContact CB-CD1 3.79Å; K151-I370 HydrophobicContact CD-CD1 4.07Å; K151-I370 HydrophobicContact CG-CD1 4.23Å; K151-Y393 HydrophobicContact CD-CD2 3.54Å; K151-Y393 HydrophobicContact CD-CE2 3.85Å; K151-Y393 HydrophobicContact CD-CG 4.22Å; K151-Y393 HydrophobicContact CG-CD1 4.46Å; K151-Y393 HydrophobicContact CG-CD2 3.59Å; K151-Y393 HydrophobicContact CG-CE2 4.19Å; K151-Y393 HydrophobicContact CG-CG 3.73Å; K151-V395 HydrophobicContact CB-CG2 4.38Å
152	I	97.5	Very high	94.9	Very high	5 Å²	5	31 Å²	31	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-42.7	-179.3	-63.6	159.1	0	0	0	110.5	Y148 L149 L150 M155 D156 L173 Q176 A177	Y148-I152 WeakPolarHBondContact O-CD1 3.46Å; Y148-I152 VanDerWaalsContact O-CG1 3.27Å; Y148-I152 WeakPolarHBondContact O-CG1 3.47Å; Y148-I152 PolarHBondContact O-N 2.99Å; Y148-I152 VanDerWaalsContact O-N 3.09Å; L149-I152 PolarHBondContact O-N 3.36Å; L150-I152 VanDerWaalsContact C-N 3.32Å; L150-I152 PolarHBondContact O-N 3.15Å; I152-M155 PolarHBondContact O-N 2.81Å; I152-D156 HydrophobicContact CG2-CB 4.45Å; I152-D156 WeakPolarHBondContact O-CB 3.47Å; I152-D156 PolarHBondContact O-N 3.35Å; I152-L173 HydrophobicContact CB-CD2 4.23Å; I152-L173 HydrophobicContact CG2-CD2 3.45Å; I152-L173 VanDerWaalsContact CG2-CD2 3.45Å; I152-Q176 HydrophobicContact CD1-CB 3.69Å; I152-A177 HydrophobicContact CD1-CB 4.07Å
153	I	96.1	Very high	94.5	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-50.8	177.5	-67.1	170.2	0	0	0	111.3	L149 L150 K151 M155 L157 L162 I165 L173	L149-I153 HydrophobicContact CD2-CD1 3.4Å; L149-I153 HydrophobicContact CD2-CG1 4.24Å; L149-I153 WeakPolarHBondContact O-CG1 3.25Å; L149-I153 PolarHBondContact O-N 2.92Å; L150-I153 PolarHBondContact O-N 3.31Å; K151-I153 VanDerWaalsContact C-N 3.34Å; K151-I153 PolarHBondContact O-N 3.1Å; I153-M155 PolarHBondContact O-N 3.32Å; I153-L157 HydrophobicContact CG1-CD1 4.45Å; I153-L157 HydrophobicContact CG2-CB 4.44Å; I153-L157 CarbonylContact O-C 3.43Å; I153-L157 WeakPolarHBondContact O-CA 3.17Å; I153-L157 WeakPolarHBondContact O-CB 3.36Å; I153-L157 PolarHBondContact O-N 3.17Å; I153-L162 HydrophobicContact CD1-CD2 3.95Å; I153-L162 HydrophobicContact CG2-CD2 3.84Å; I153-I165 HydrophobicContact CD1-CD1 3.49Å; I153-I165 VanDerWaalsContact CD1-CD1 3.49Å; I153-I165 HydrophobicContact CG1-CD1 3.95Å; I153-I165 HydrophobicContact CG2-CD1 4.17Å; I153-L173 HydrophobicContact CD1-CD1 4.12Å; I153-L173 HydrophobicContact CG1-CD1 3.79Å; I153-L173 HydrophobicContact CG1-CD2 4.44Å
154	I	93.6	Very high	94.2	Very high	15 Å²	15	39.7 Å²	39.7	8%	0.077	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-35.7	-177.4	-64.8	159.8	0	0	0	111	L150 K151 V395 F408	L150-I154 WeakPolarHBondContact O-CD1 3.37Å; L150-I154 VanDerWaalsContact O-CG1 3.22Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 3.02Å; K151-I154 PolarHBondContact O-N 3.43Å; I154-V395 HydrophobicContact CD1-CG2 3.66Å; I154-F408 HydrophobicContact CD1-CB 4Å; I154-F408 HydrophobicContact CD1-CD2 3.71Å; I154-F408 HydrophobicContact CD1-CG 4.25Å; I154-F408 HydrophobicContact CG1-CD2 4.35Å
155	M	92.3	Very high	93.9	Very high	68 Å²	68	40.1 Å²	40.1	34%	0.335	23%	0.232	S	C	.	.	H	α-helix	trans	-79	-53.4	-179.3	-73.4	-175.6	70.8	0	0	113.7	K151 I152 I153 Y393	K151-M155 HydrophobicContact CG-SD 4.02Å; K151-M155 WeakPolarHBondContact O-CB 3.47Å; K151-M155 VanDerWaalsContact O-CG 3.25Å; K151-M155 WeakPolarHBondContact O-CG 3.34Å; K151-M155 PolarHBondContact O-N 2.92Å; I152-M155 PolarHBondContact O-N 2.81Å; I153-M155 PolarHBondContact O-N 3.32Å; M155-Y393 HydrophobicContact CE-CD1 4.36Å; M155-Y393 HydrophobicContact CE-CE1 3.38Å; M155-Y393 VanDerWaalsContact CE-OH 3.24Å; M155-Y393 WeakPolarHBondContact CE-OH 3.22Å; M155-Y393 HydrophobicContact CG-CD1 3.74Å; M155-Y393 HydrophobicContact CG-CE1 3.7Å; M155-Y393 HydrophobicContact SD-CD1 3.52Å; M155-Y393 VanDerWaalsContact SD-CD1 3.52Å; M155-Y393 HydrophobicContact SD-CD2 4.34Å; M155-Y393 HydrophobicContact SD-CE1 3.04Å; M155-Y393 WeakPolarHBondContact SD-CE1 3.16Å; M155-Y393 HydrophobicContact SD-CE2 3.91Å; M155-Y393 HydrophobicContact SD-CG 4.15Å
156	D	91.9	Very high	93.7	Very high	100 Å²	100	43.1 Å²	43.1	54%	0.535	25%	0.253	S	S	.	.	H	α-helix	trans	-99.8	-15	-163.3	-63.4	-15.4	0	0	0	112.2	I152	I152-D156 HydrophobicContact CG2-CB 4.45Å; I152-D156 WeakPolarHBondContact O-CB 3.47Å; I152-D156 PolarHBondContact O-N 3.35Å
157	L	91.3	Very high	93.3	Very high	27 Å²	27	47.8 Å²	47.8	14%	0.141	28%	0.277	C	S	.	.	S	Bend	trans	-126.3	51.7	-178.6	-57.3	177.6	0	0	0	112.1	I153 G159 I160 L173	I153-L157 HydrophobicContact CG1-CD1 4.45Å; I153-L157 HydrophobicContact CG2-CB 4.44Å; I153-L157 CarbonylContact O-C 3.43Å; I153-L157 WeakPolarHBondContact O-CA 3.17Å; I153-L157 WeakPolarHBondContact O-CB 3.36Å; I153-L157 PolarHBondContact O-N 3.17Å; L157-G159 PolarHBondContact O-N 3.22Å; L157-I160 HydrophobicContact CB-CB 4.36Å; L157-I160 HydrophobicContact CB-CD1 3.88Å; L157-I160 HydrophobicContact CB-CG1 4.18Å; L157-I160 HydrophobicContact CD2-CD1 3.93Å; L157-I160 HydrophobicContact CG-CD1 4.32Å; L157-I160 PolarHBondContact O-N 3.29Å; L157-L173 HydrophobicContact CD1-CD1 4.28Å; L157-L173 HydrophobicContact CD1-CD2 4.31Å
158	P	86.2	Confident	93.1	Very high	103 Å²	103	52.9 Å²	52.9	67%	0.669	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	130.6	-176.7	27.4	-35.3	0	0	0	111.3	I160	P158-I160 VanDerWaalsContact C-N 3.33Å; P158-I160 PolarHBondContact O-N 2.9Å
159	G	84.1	Confident	93	Very high	81 Å²	81	56.7 Å²	56.7	84%	0.835	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-5.1	176.5	0	0	0	0	0	115.7	L157	L157-G159 PolarHBondContact O-N 3.22Å
160	I	89.9	Confident	92.9	Very high	76 Å²	76	56.7 Å²	56.7	39%	0.39	32%	0.321	S	S	.	.			trans	-75	132.7	172.9	-59	-167.9	0	0	0	109.3	L157 P158 I165	L157-I160 HydrophobicContact CB-CB 4.36Å; L157-I160 HydrophobicContact CB-CD1 3.88Å; L157-I160 HydrophobicContact CB-CG1 4.18Å; L157-I160 HydrophobicContact CD2-CD1 3.93Å; L157-I160 HydrophobicContact CG-CD1 4.32Å; L157-I160 PolarHBondContact O-N 3.29Å; P158-I160 VanDerWaalsContact C-N 3.33Å; P158-I160 PolarHBondContact O-N 2.9Å; I160-I165 HydrophobicContact CG2-CG1 4.03Å
161	K	91.5	Very high	92.8	Very high	129 Å²	129	59.3 Å²	59.3	56%	0.561	33%	0.333	S	S	*	.			trans	-73.7	138.6	172.9	-59	-172.5	-160.1	138	0	110.2	S163 E164	K161-S163 PolarHBondContact O-N 2.87Å; K161-S163 VanDerWaalsContact O-N 3.12Å; K161-E164 HydrophobicContact CB-CB 4.35Å; K161-E164 HydrophobicContact CB-CG 3.97Å; K161-E164 VanDerWaalsContact CD-OE1 3.29Å; K161-E164 WeakPolarHBondContact CD-OE1 3.4Å; K161-E164 WeakPolarHBondContact CE-OE1 3.33Å; K161-E164 IonicContact NZ-OE1 2.95Å; K161-E164 PolarHBondContact NZ-OE1 3.37Å; K161-E164 WeakPolarHBondContact O-CB 3.4Å; K161-E164 PolarHBondContact O-N 3.4Å
162	L	93.7	Very high	92.8	Very high	27 Å²	27	62 Å²	62	14%	0.141	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.6	-179.2	-63	174.5	0	0	0	113.4	S129 L150 I153 E164 I165 F408 Y515	S129-L162 PolarHBondContact OG-O 3.31Å; L150-L162 HydrophobicContact CD2-CD2 4.34Å; I153-L162 HydrophobicContact CD1-CD2 3.95Å; I153-L162 HydrophobicContact CG2-CD2 3.84Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-I165 HydrophobicContact CD2-CD1 4.31Å; L162-F408 HydrophobicContact CD1-CE2 4.04Å; L162-F408 HydrophobicContact CD1-CZ 3.61Å; L162-Y515 HydrophobicContact CB-CD2 4.2Å; L162-Y515 HydrophobicContact CB-CE2 3.99Å; L162-Y515 HydrophobicContact CD1-CD1 4.29Å; L162-Y515 HydrophobicContact CD1-CD2 3.7Å; L162-Y515 HydrophobicContact CD1-CE1 4.33Å; L162-Y515 HydrophobicContact CD1-CE2 3.76Å; L162-Y515 HydrophobicContact CD1-CG 3.97Å; L162-Y515 HydrophobicContact CG-CE2 4.4Å
163	S	90.4	Very high	92.9	Very high	71 Å²	71	61.8 Å²	61.8	50%	0.497	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-75.1	-17.9	176.7	62	0	0	0	0	114.1	K161	K161-S163 PolarHBondContact O-N 2.87Å; K161-S163 VanDerWaalsContact O-N 3.12Å
164	E	91.4	Very high	93	Very high	115 Å²	115	61.5 Å²	61.5	54%	0.537	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-93	-4.3	-177.7	-67.2	171	-173.5	0	0	112.3	K161 L162 S166	K161-E164 HydrophobicContact CB-CB 4.35Å; K161-E164 HydrophobicContact CB-CG 3.97Å; K161-E164 VanDerWaalsContact CD-OE1 3.29Å; K161-E164 WeakPolarHBondContact CD-OE1 3.4Å; K161-E164 WeakPolarHBondContact CE-OE1 3.33Å; K161-E164 IonicContact NZ-OE1 2.95Å; K161-E164 PolarHBondContact NZ-OE1 3.37Å; K161-E164 WeakPolarHBondContact O-CB 3.4Å; K161-E164 PolarHBondContact O-N 3.4Å; L162-E164 VanDerWaalsContact C-N 3.33Å; E164-S166 PolarHBondContact O-N 3.19Å
165	I	93.5	Very high	93.2	Very high	8 Å²	8	61 Å²	61	4%	0.041	34%	0.343	C	S	.	.			trans	-72.4	122.9	178	-60.8	176.8	0	0	0	109.1	P128 I153 I160 L162 K169 S170 L173	P128-I165 WeakPolarHBondContact CB-O 3.2Å; I153-I165 HydrophobicContact CD1-CD1 3.49Å; I153-I165 VanDerWaalsContact CD1-CD1 3.49Å; I153-I165 HydrophobicContact CG1-CD1 3.95Å; I153-I165 HydrophobicContact CG2-CD1 4.17Å; I160-I165 HydrophobicContact CG2-CG1 4.03Å; L162-I165 HydrophobicContact CD2-CD1 4.31Å; I165-K169 HydrophobicContact CG2-CB 3.96Å; I165-K169 HydrophobicContact CG2-CG 3.96Å; I165-S170 WeakPolarHBondContact CG2-OG 3.35Å; I165-L173 HydrophobicContact CD1-CD1 4.49Å; I165-L173 HydrophobicContact CG2-CD1 4.08Å
166	S	94.2	Very high	93.5	Very high	63 Å²	63	61.5 Å²	61.5	44%	0.441	34%	0.344	S	S	.	.			trans	-70.6	156.1	177.2	70.7	0	0	0	0	111.9	E164 D168 K169 S170	E164-S166 PolarHBondContact O-N 3.19Å; S166-D168 VanDerWaalsContact C-N 3.34Å; S166-D168 PolarHBondContact O-N 2.86Å; S166-K169 WeakPolarHBondContact O-CB 3.49Å; S166-K169 PolarHBondContact O-N 2.94Å; S166-K169 WeakPolarHBondContact OG-CB 3.31Å; S166-K169 PolarHBondContact OG-N 2.91Å; S166-S170 PolarHBondContact O-N 3.27Å; S166-S170 PolarHBondContact O-OG 3.39Å
167	L	91.7	Very high	93.8	Very high	98 Å²	98	56.7 Å²	56.7	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-57.3	-45.7	177.8	-175.5	64	0	0	0	111.8	F123 K169 S170 Q171	F123-L167 HydrophobicContact CB-CD1 4.25Å; F123-L167 HydrophobicContact CD2-CD1 4.26Å; L167-K169 PolarHBondContact O-N 2.78Å; L167-S170 WeakPolarHBondContact O-CA 3.14Å; L167-S170 WeakPolarHBondContact O-CB 3.17Å; L167-S170 PolarHBondContact O-N 3.08Å; L167-Q171 WeakPolarHBondContact O-CG 3.33Å; L167-Q171 PolarHBondContact O-N 2.84Å
168	D	93.8	Very high	94.2	Very high	107 Å²	107	55.4 Å²	55.4	57%	0.572	31%	0.312	S	S	*	.	H	α-helix	trans	-58.8	-37.7	177	-55.8	-71.5	0	0	0	112	S166 Q171 N172	S166-D168 VanDerWaalsContact C-N 3.34Å; S166-D168 PolarHBondContact O-N 2.86Å; D168-Q171 PolarHBondContact O-N 3.02Å; D168-N172 PolarHBondContact O-N 2.67Å; D168-N172 VanDerWaalsContact O-N 3.15Å; D168-N172 PolarHBondContact O-ND2 2.84Å
169	K	95.5	Very high	94.8	Very high	82 Å²	82	50.8 Å²	50.8	36%	0.357	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-41.9	175.8	-173.3	65.4	174.9	-176.1	0	110.6	I165 S166 L167 Q171 N172 L173	I165-K169 HydrophobicContact CG2-CB 3.96Å; I165-K169 HydrophobicContact CG2-CG 3.96Å; S166-K169 WeakPolarHBondContact O-CB 3.49Å; S166-K169 PolarHBondContact O-N 2.94Å; S166-K169 WeakPolarHBondContact OG-CB 3.31Å; S166-K169 PolarHBondContact OG-N 2.91Å; L167-K169 PolarHBondContact O-N 2.78Å; K169-Q171 VanDerWaalsContact C-N 3.33Å; K169-Q171 PolarHBondContact O-N 3.43Å; K169-N172 WeakPolarHBondContact O-CB 3.01Å; K169-N172 PolarHBondContact O-N 3.33Å; K169-L173 HydrophobicContact CG-CD1 4.19Å; K169-L173 HydrophobicContact CG-CG 4.45Å; K169-L173 VanDerWaalsContact O-CG 3.27Å; K169-L173 WeakPolarHBondContact O-CG 3.33Å; K169-L173 PolarHBondContact O-N 2.7Å
170	S	96.9	Very high	95.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-39.5	174.4	-62.5	0	0	0	0	112.7	F123 P128 I165 S166 L167 N172 L173 L174	F123-S170 VanDerWaalsContact CZ-O 3.31Å; F123-S170 WeakPolarHBondContact CZ-O 3.2Å; P128-S170 WeakPolarHBondContact O-CB 3.41Å; P128-S170 PolarHBondContact O-OG 3.25Å; I165-S170 WeakPolarHBondContact CG2-OG 3.35Å; S166-S170 PolarHBondContact O-N 3.27Å; S166-S170 PolarHBondContact O-OG 3.39Å; L167-S170 WeakPolarHBondContact O-CA 3.14Å; L167-S170 WeakPolarHBondContact O-CB 3.17Å; L167-S170 PolarHBondContact O-N 3.08Å; S170-N172 PolarHBondContact O-N 3.48Å; S170-L173 PolarHBondContact O-N 3.29Å; S170-L174 WeakPolarHBondContact O-CB 3.32Å; S170-L174 PolarHBondContact O-N 3.45Å
171	Q	96.9	Very high	95.9	Very high	55 Å²	55	44.7 Å²	44.7	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-45.5	173.9	-63.2	-177	-12.3	0	0	111.6	L167 D168 K169 L173 L174 I175 Y288	L167-Q171 WeakPolarHBondContact O-CG 3.33Å; L167-Q171 PolarHBondContact O-N 2.84Å; D168-Q171 PolarHBondContact O-N 3.02Å; K169-Q171 VanDerWaalsContact C-N 3.33Å; K169-Q171 PolarHBondContact O-N 3.43Å; Q171-L173 PolarHBondContact O-N 3.12Å; Q171-L174 WeakPolarHBondContact O-CB 3.41Å; Q171-L174 PolarHBondContact O-N 3.28Å; Q171-I175 WeakPolarHBondContact O-CG1 3.4Å; Q171-I175 PolarHBondContact O-N 3.29Å; Q171-Y288 HydrophobicContact CB-CD2 4.4Å; Q171-Y288 HydrophobicContact CB-CE2 3.81Å; Q171-Y288 HydrophobicContact CG-CE1 3.78Å; Q171-Y288 HydrophobicContact CG-CE2 3.92Å; Q171-Y288 VanDerWaalsContact CG-CZ 3.47Å
172	N	97.4	Very high	96.2	Very high	65 Å²	65	38.5 Å²	38.5	35%	0.348	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-41.4	175.7	-75.5	-64.5	0	0	0	112.2	D168 K169 S170 I175 Q176	D168-N172 PolarHBondContact O-N 2.67Å; D168-N172 VanDerWaalsContact O-N 3.15Å; D168-N172 PolarHBondContact O-ND2 2.84Å; K169-N172 WeakPolarHBondContact O-CB 3.01Å; K169-N172 PolarHBondContact O-N 3.33Å; S170-N172 PolarHBondContact O-N 3.48Å; N172-I175 PolarHBondContact O-N 2.86Å; N172-Q176 VanDerWaalsContact O-CG 3.31Å; N172-Q176 WeakPolarHBondContact O-CG 3.48Å; N172-Q176 PolarHBondContact O-N 3.37Å
173	L	97.7	Very high	96.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-40.3	176.7	-70.2	169.5	0	0	0	111.7	L149 I152 I153 L157 I165 K169 S170 Q171 Q176 A177	L149-L173 HydrophobicContact CD1-CB 4.36Å; L149-L173 HydrophobicContact CG-CB 4.1Å; I152-L173 HydrophobicContact CB-CD2 4.23Å; I152-L173 HydrophobicContact CG2-CD2 3.45Å; I152-L173 VanDerWaalsContact CG2-CD2 3.45Å; I153-L173 HydrophobicContact CD1-CD1 4.12Å; I153-L173 HydrophobicContact CG1-CD1 3.79Å; I153-L173 HydrophobicContact CG1-CD2 4.44Å; L157-L173 HydrophobicContact CD1-CD1 4.28Å; L157-L173 HydrophobicContact CD1-CD2 4.31Å; I165-L173 HydrophobicContact CD1-CD1 4.49Å; I165-L173 HydrophobicContact CG2-CD1 4.08Å; K169-L173 HydrophobicContact CG-CD1 4.19Å; K169-L173 HydrophobicContact CG-CG 4.45Å; K169-L173 VanDerWaalsContact O-CG 3.27Å; K169-L173 WeakPolarHBondContact O-CG 3.33Å; K169-L173 PolarHBondContact O-N 2.7Å; S170-L173 PolarHBondContact O-N 3.29Å; Q171-L173 PolarHBondContact O-N 3.12Å; L173-Q176 PolarHBondContact O-N 2.93Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.32Å
174	L	98.6	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-51.9	173	175.6	62.6	0	0	0	110.5	F121 F123 L131 V145 S170 Q171 Q176 A177 L178 Y288	F121-L174 HydrophobicContact CB-CD1 4.24Å; F121-L174 HydrophobicContact CB-CD2 3.58Å; F121-L174 HydrophobicContact CD1-CD1 4.21Å; F121-L174 HydrophobicContact CG-CD1 4.12Å; F121-L174 HydrophobicContact CG-CD2 4.18Å; F123-L174 HydrophobicContact CE2-CB 4.26Å; F123-L174 HydrophobicContact CE2-CD2 4.28Å; F123-L174 HydrophobicContact CZ-CB 4Å; L131-L174 HydrophobicContact CD1-CD1 4.48Å; V145-L174 HydrophobicContact CG1-CD1 3.5Å; V145-L174 VanDerWaalsContact CG1-CD1 3.5Å; S170-L174 WeakPolarHBondContact O-CB 3.32Å; S170-L174 PolarHBondContact O-N 3.45Å; Q171-L174 WeakPolarHBondContact O-CB 3.41Å; Q171-L174 PolarHBondContact O-N 3.28Å; L174-Q176 VanDerWaalsContact C-N 3.26Å; L174-Q176 PolarHBondContact O-N 3.14Å; L174-A177 WeakPolarHBondContact O-CB 3.49Å; L174-A177 PolarHBondContact O-N 3.09Å; L174-A177 VanDerWaalsContact O-N 3.1Å; L174-L178 HydrophobicContact CD1-CD1 4.18Å; L174-L178 HydrophobicContact CD1-CD2 4.21Å; L174-L178 HydrophobicContact CD1-CG 4.03Å; L174-L178 HydrophobicContact CG-CD1 4.08Å; L174-L178 HydrophobicContact CG-CG 4.32Å; L174-L178 VanDerWaalsContact O-CG 3.26Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.04Å; L174-Y288 HydrophobicContact CD2-CE2 4.06Å
175	I	98.6	Very high	97.1	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-40.9	-179.9	-66.5	170.4	0	0	0	111	Q171 N172 C179 A281 M285 Y288 L291	Q171-I175 WeakPolarHBondContact O-CG1 3.4Å; Q171-I175 PolarHBondContact O-N 3.29Å; N172-I175 PolarHBondContact O-N 2.86Å; I175-C179 WeakPolarHBondContact O-CB 3.49Å; I175-C179 PolarHBondContact O-N 3.14Å; I175-C179 PolarHBondContact O-SG 2.78Å; I175-A281 HydrophobicContact CG2-CB 4.1Å; I175-M285 HydrophobicContact CD1-CB 4.29Å; I175-M285 HydrophobicContact CD1-CG 3.57Å; I175-Y288 HydrophobicContact CD1-CD2 4.26Å; I175-L291 HydrophobicContact CG1-CD1 4.29Å
176	Q	98.3	Very high	97.2	Very high	77 Å²	77	42.6 Å²	42.6	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-63.9	-44.4	175.6	-71.2	176.8	33.4	0	0	112.1	I152 N172 L173 L174 C179 D180	I152-Q176 HydrophobicContact CD1-CB 3.69Å; N172-Q176 VanDerWaalsContact O-CG 3.31Å; N172-Q176 WeakPolarHBondContact O-CG 3.48Å; N172-Q176 PolarHBondContact O-N 3.37Å; L173-Q176 PolarHBondContact O-N 2.93Å; L174-Q176 VanDerWaalsContact C-N 3.26Å; L174-Q176 PolarHBondContact O-N 3.14Å; Q176-C179 WeakPolarHBondContact O-CB 3.48Å; Q176-C179 PolarHBondContact O-N 3.28Å; Q176-D180 PolarHBondContact O-N 2.94Å
177	A	98.7	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-46.7	176.6	0	0	0	0	0	112	L149 I152 L173 L174 C179 D180 I181	L149-A177 HydrophobicContact CB-CB 4.28Å; I152-A177 HydrophobicContact CD1-CB 4.07Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.32Å; L174-A177 WeakPolarHBondContact O-CB 3.49Å; L174-A177 PolarHBondContact O-N 3.09Å; L174-A177 VanDerWaalsContact O-N 3.1Å; A177-C179 VanDerWaalsContact C-N 3.3Å; A177-C179 PolarHBondContact O-N 2.7Å; A177-D180 PolarHBondContact O-N 3.28Å; A177-I181 WeakPolarHBondContact O-CG1 3.24Å; A177-I181 PolarHBondContact O-N 3.45Å; A177-I181 VanDerWaalsContact O-N 3.1Å
178	L	98.8	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-40	175.3	-62.6	179.4	0	0	0	111.6	F121 V145 L174 I181 L182 L291 F300	F121-L178 HydrophobicContact CE2-CD2 4.15Å; F121-L178 HydrophobicContact CZ-CD2 4Å; V145-L178 HydrophobicContact CG1-CD2 3.89Å; V145-L178 HydrophobicContact CG2-CD2 3.71Å; L174-L178 HydrophobicContact CD1-CD1 4.18Å; L174-L178 HydrophobicContact CD1-CD2 4.21Å; L174-L178 HydrophobicContact CD1-CG 4.03Å; L174-L178 HydrophobicContact CG-CD1 4.08Å; L174-L178 HydrophobicContact CG-CG 4.32Å; L174-L178 VanDerWaalsContact O-CG 3.26Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.04Å; L178-I181 PolarHBondContact O-N 2.99Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.1Å; L178-L182 VanDerWaalsContact O-N 3.07Å; L178-L291 HydrophobicContact CD1-CD1 3.49Å; L178-L291 VanDerWaalsContact CD1-CD1 3.49Å; L178-L291 HydrophobicContact CD1-CD2 3.65Å; L178-L291 HydrophobicContact CD1-CG 4.15Å; L178-F300 HydrophobicContact CB-CD2 4.16Å; L178-F300 HydrophobicContact CB-CE2 3.56Å; L178-F300 HydrophobicContact CB-CZ 3.79Å; L178-F300 HydrophobicContact CD1-CD2 4.32Å; L178-F300 HydrophobicContact CD2-CD1 3.49Å; L178-F300 VanDerWaalsContact CD2-CD1 3.49Å; L178-F300 HydrophobicContact CD2-CD2 3.8Å; L178-F300 HydrophobicContact CD2-CE1 3.36Å; L178-F300 HydrophobicContact CD2-CE2 3.72Å; L178-F300 HydrophobicContact CD2-CG 3.7Å; L178-F300 HydrophobicContact CD2-CZ 3.49Å; L178-F300 VanDerWaalsContact CD2-CZ 3.49Å; L178-F300 HydrophobicContact CG-CD2 4.29Å; L178-F300 HydrophobicContact CG-CE1 4.49Å; L178-F300 HydrophobicContact CG-CE2 4.1Å; L178-F300 HydrophobicContact CG-CZ 4.2Å; L178-F300 WeakPolarHBondContact O-CZ 3.25Å
179	C	98.7	Very high	97.4	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-38.4	176.5	-74.1	0	0	0	0	112.6	I175 Q176 A177 L182 K183 I277	I175-C179 WeakPolarHBondContact O-CB 3.49Å; I175-C179 PolarHBondContact O-N 3.14Å; I175-C179 PolarHBondContact O-SG 2.78Å; Q176-C179 WeakPolarHBondContact O-CB 3.48Å; Q176-C179 PolarHBondContact O-N 3.28Å; A177-C179 VanDerWaalsContact C-N 3.3Å; A177-C179 PolarHBondContact O-N 2.7Å; C179-L182 PolarHBondContact O-N 2.72Å; C179-K183 VanDerWaalsContact O-CG 3.32Å; C179-K183 WeakPolarHBondContact O-CG 3.42Å; C179-K183 PolarHBondContact O-N 3.39Å; C179-I277 HydrophobicContact CB-CD1 3.82Å; C179-I277 HydrophobicContact CB-CG1 3.65Å
180	D	98.4	Very high	97.5	Very high	28 Å²	28	39.7 Å²	39.7	15%	0.15	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-42.6	176.8	-85.5	7.4	0	0	0	112	Y148 K151 Q176 A177 L182 K183 N184	Y148-D180 HydrophobicContact CD1-CB 3.71Å; Y148-D180 HydrophobicContact CE1-CB 3.94Å; K151-D180 IonicContact NZ-OD2 3.8Å; K151-D180 PolarHBondContact NZ-OD2 2.85Å; Q176-D180 PolarHBondContact O-N 2.94Å; A177-D180 PolarHBondContact O-N 3.28Å; D180-L182 VanDerWaalsContact C-N 3.34Å; D180-L182 PolarHBondContact O-N 3.07Å; D180-K183 WeakPolarHBondContact O-CB 3.49Å; D180-K183 PolarHBondContact O-N 2.89Å; D180-K183 VanDerWaalsContact O-N 3.16Å; D180-K183 IonicContact OD1-NZ 3.2Å; D180-K183 PolarHBondContact OD1-NZ 3.02Å; D180-N184 PolarHBondContact O-N 3.2Å
181	I	98.8	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-44.1	173.3	-67.2	167	0	0	0	110.9	V145 Y148 A177 L178 K183 N184 F300 V304 M340	V145-I181 HydrophobicContact CB-CD1 4.42Å; V145-I181 HydrophobicContact CG2-CD1 3.63Å; Y148-I181 HydrophobicContact CD2-CD1 3.8Å; Y148-I181 HydrophobicContact CD2-CG1 3.41Å; Y148-I181 VanDerWaalsContact CD2-CG1 3.41Å; Y148-I181 HydrophobicContact CE2-CD1 4.39Å; Y148-I181 HydrophobicContact CE2-CG1 3.62Å; Y148-I181 HydrophobicContact CG-CD1 4.39Å; Y148-I181 HydrophobicContact CG-CG1 3.97Å; A177-I181 WeakPolarHBondContact O-CG1 3.24Å; A177-I181 PolarHBondContact O-N 3.45Å; A177-I181 VanDerWaalsContact O-N 3.1Å; L178-I181 PolarHBondContact O-N 2.99Å; I181-K183 VanDerWaalsContact C-N 3.33Å; I181-K183 PolarHBondContact O-N 3.13Å; I181-N184 WeakPolarHBondContact O-CB 3.37Å; I181-N184 PolarHBondContact O-N 3.1Å; I181-F300 HydrophobicContact CB-CE1 4.43Å; I181-F300 HydrophobicContact CB-CZ 3.97Å; I181-F300 HydrophobicContact CD1-CE1 4.08Å; I181-F300 HydrophobicContact CD1-CZ 4.31Å; I181-F300 HydrophobicContact CG2-CE1 4.11Å; I181-F300 HydrophobicContact CG2-CZ 3.88Å; I181-V304 HydrophobicContact CG2-CG2 3.98Å; I181-M340 HydrophobicContact CD1-CE 4.29Å; I181-M340 HydrophobicContact CG2-CE 4.09Å; I181-M340 HydrophobicContact CG2-SD 4.46Å
182	L	98.7	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-36.9	176.1	-73.8	168.9	0	0	0	112.3	L178 C179 D180 N184 C185 Y190 I192 I277 V280 Y284 F300 V304 T307	L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.1Å; L178-L182 VanDerWaalsContact O-N 3.07Å; C179-L182 PolarHBondContact O-N 2.72Å; D180-L182 VanDerWaalsContact C-N 3.34Å; D180-L182 PolarHBondContact O-N 3.07Å; L182-N184 VanDerWaalsContact C-N 3.27Å; L182-N184 PolarHBondContact O-N 2.77Å; L182-C185 VanDerWaalsContact O-CB 3.27Å; L182-C185 WeakPolarHBondContact O-CB 3.19Å; L182-C185 PolarHBondContact O-N 3.26Å; L182-C185 VanDerWaalsContact O-N 3.16Å; L182-Y190 HydrophobicContact CB-CD1 3.97Å; L182-Y190 HydrophobicContact CB-CE1 3.96Å; L182-I192 HydrophobicContact CD1-CD1 3.75Å; L182-I192 HydrophobicContact CD2-CD1 4.37Å; L182-I277 HydrophobicContact CB-CD1 4Å; L182-I277 HydrophobicContact CD1-CD1 4.4Å; L182-V280 HydrophobicContact CD1-CG1 3.97Å; L182-Y284 HydrophobicContact CD1-CE2 4.33Å; L182-F300 HydrophobicContact CD1-CE2 4.02Å; L182-F300 HydrophobicContact CD2-CE2 4.37Å; L182-F300 HydrophobicContact CG-CE2 3.9Å; L182-F300 HydrophobicContact CG-CZ 4.38Å; L182-V304 HydrophobicContact CD2-CG2 4.03Å; L182-T307 HydrophobicContact CD2-CG2 4.22Å
183	K	98.2	Very high	97.6	Very high	92 Å²	92	35.4 Å²	35.4	40%	0.4	17%	0.166	S	C	.	.	H	α-helix	trans	-61.8	-34.6	175.2	-71.7	169.6	-164.2	159.1	0	112	C179 D180 I181 C185 R186 I277	C179-K183 VanDerWaalsContact O-CG 3.32Å; C179-K183 WeakPolarHBondContact O-CG 3.42Å; C179-K183 PolarHBondContact O-N 3.39Å; D180-K183 WeakPolarHBondContact O-CB 3.49Å; D180-K183 PolarHBondContact O-N 2.89Å; D180-K183 VanDerWaalsContact O-N 3.16Å; D180-K183 IonicContact OD1-NZ 3.2Å; D180-K183 PolarHBondContact OD1-NZ 3.02Å; I181-K183 VanDerWaalsContact C-N 3.33Å; I181-K183 PolarHBondContact O-N 3.13Å; K183-C185 PolarHBondContact O-N 3.02Å; K183-C185 VanDerWaalsContact O-N 3.16Å; K183-R186 PolarHBondContact O-N 3.33Å; K183-I277 HydrophobicContact CG-CB 4.45Å; K183-I277 HydrophobicContact CG-CD1 4.4Å; K183-I277 HydrophobicContact CG-CG1 4.07Å
184	N	97.5	Very high	97.4	Very high	35 Å²	35	35.9 Å²	35.9	19%	0.187	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-23.1	176.9	-67.7	-20	0	0	0	113.3	Y148 D180 I181 L182 R186 L341	Y148-N184 PolarHBondContact OH-ND2 3.42Å; D180-N184 PolarHBondContact O-N 3.2Å; I181-N184 WeakPolarHBondContact O-CB 3.37Å; I181-N184 PolarHBondContact O-N 3.1Å; L182-N184 VanDerWaalsContact C-N 3.27Å; L182-N184 PolarHBondContact O-N 2.77Å; N184-R186 PolarHBondContact O-N 3.12Å; N184-R186 VanDerWaalsContact O-N 3.16Å; N184-L341 PolarHBondContact ND2-O 3.3Å
185	C	97.4	Very high	97.3	Very high	5 Å²	5	36 Å²	36	3%	0.034	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.7	174.5	-63	0	0	0	0	112.7	L182 K183 A187 T307 K308	L182-C185 VanDerWaalsContact O-CB 3.27Å; L182-C185 WeakPolarHBondContact O-CB 3.19Å; L182-C185 PolarHBondContact O-N 3.26Å; L182-C185 VanDerWaalsContact O-N 3.16Å; K183-C185 PolarHBondContact O-N 3.02Å; K183-C185 VanDerWaalsContact O-N 3.16Å; C185-A187 HydrophobicContact CB-CB 4.5Å; C185-A187 PolarHBondContact O-N 2.85Å; C185-A187 VanDerWaalsContact O-N 3.11Å; C185-T307 HydrophobicContact CB-CG2 3.8Å; C185-K308 HydrophobicContact CB-CB 4.34Å; C185-K308 HydrophobicContact CB-CD 4.44Å
186	R	95.6	Very high	96.8	Very high	174 Å²	174	38 Å²	38	66%	0.657	18%	0.18	S	C	*	.			trans	52.8	29.9	-179.4	-61.7	177.9	-177.4	178.8	0	113.4	K183 N184 E366	K183-R186 PolarHBondContact O-N 3.33Å; N184-R186 PolarHBondContact O-N 3.12Å; N184-R186 VanDerWaalsContact O-N 3.16Å; R186-E366 IonicContact CZ-OE1 3.9Å; R186-E366 IonicContact CZ-OE2 3.28Å; R186-E366 IonicContact NH1-OE2 2.73Å; R186-E366 PolarHBondContact NH1-OE2 3.35Å; R186-E366 VanDerWaalsContact NH1-OE2 3.11Å; R186-E366 IonicContact NH2-OE1 3.51Å; R186-E366 PolarHBondContact NH2-OE1 2.82Å; R186-E366 IonicContact NH2-OE2 3.45Å; R186-E366 PolarHBondContact NH2-OE2 2.82Å
187	A	94.7	Very high	96.1	Very high	21 Å²	21	36.5 Å²	36.5	17%	0.174	17%	0.171	C	C	.	.			trans	-81.1	147	-178.2	0	0	0	0	0	111.5	C185 R189 T307	C185-A187 HydrophobicContact CB-CB 4.5Å; C185-A187 PolarHBondContact O-N 2.85Å; C185-A187 VanDerWaalsContact O-N 3.11Å; A187-R189 WeakPolarHBondContact CB-O 3.37Å; A187-R189 PolarHBondContact O-N 2.86Å; A187-T307 HydrophobicContact CB-CG2 3.81Å; A187-T307 WeakPolarHBondContact CB-O 3.44Å
188	P	94.3	Very high	94.5	Very high	119 Å²	119	45 Å²	45	77%	0.773	20%	0.203	S	C	*	.	S	Bend	trans	-71.1	-15.3	178.5	29.7	-36.2	0	0	0	113.4
189	R	95.6	Very high	92	Very high	123 Å²	123	53.7 Å²	53.7	46%	0.464	24%	0.236	S	C	.	.	S	Bend	trans	-149.8	159.8	177.7	70.9	-177.1	93.7	137.8	6.5	109	A187 F274	A187-R189 WeakPolarHBondContact CB-O 3.37Å; A187-R189 PolarHBondContact O-N 2.86Å; R189-F274 WeakPolarHBondContact CA-O 3.38Å
190	Y	97.9	Very high	89.1	Confident	26 Å²	26	55.9 Å²	55.9	10%	0.102	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.5	178.9	-57.7	-86.4	0	0	0	110.3	L182 H273 F274 I277 V280 T307	L182-Y190 HydrophobicContact CB-CD1 3.97Å; L182-Y190 HydrophobicContact CB-CE1 3.96Å; Y190-H273 WeakPolarHBondContact O-CA 3.29Å; Y190-F274 PolarHBondContact N-O 3.38Å; Y190-F274 PolarHBondContact O-N 3.43Å; Y190-I277 HydrophobicContact CD1-CD1 4.04Å; Y190-I277 HydrophobicContact CE1-CD1 3.68Å; Y190-I277 HydrophobicContact CE2-CB 3.95Å; Y190-I277 HydrophobicContact CE2-CD1 4.27Å; Y190-I277 HydrophobicContact CG-CD1 4.48Å; Y190-V280 HydrophobicContact CD2-CG2 4.15Å; Y190-V280 HydrophobicContact CG-CG2 3.9Å; Y190-T307 HydrophobicContact CD1-CG2 3.66Å; Y190-T307 HydrophobicContact CE1-CG2 4.25Å; Y190-T307 HydrophobicContact CG-CG2 4.47Å
191	R	97.3	Very high	86.1	Confident	27 Å²	27	61.5 Å²	61.5	10%	0.102	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	106.1	178.3	-69	-169.2	-71	178.2	0	108.3	D93 E96 T271 L272 L306 T307	D93-R191 WeakPolarHBondContact OD1-CD 3.13Å; D93-R191 IonicContact OD1-CZ 3.86Å; D93-R191 IonicContact OD1-NH1 3.79Å; D93-R191 PolarHBondContact OD1-NH1 3.48Å; E96-R191 VanDerWaalsContact CD-NH1 3.29Å; E96-R191 IonicContact OE1-NH1 2.82Å; E96-R191 PolarHBondContact OE1-NH1 2.65Å; E96-R191 IonicContact OE1-NH2 2.77Å; E96-R191 IonicContact OE2-CZ 3.66Å; E96-R191 IonicContact OE2-NH1 3.37Å; E96-R191 PolarHBondContact OE2-NH1 3.37Å; E96-R191 IonicContact OE2-NH2 2.65Å; E96-R191 PolarHBondContact OE2-NH2 3.11Å; R191-T271 HydrophobicContact CB-CG2 3.85Å; R191-T271 HydrophobicContact CG-CG2 4.34Å; R191-L272 WeakPolarHBondContact CA-O 3.33Å; R191-L306 HydrophobicContact CB-CB 3.76Å; R191-L306 HydrophobicContact CB-CD1 4.47Å; R191-L306 PolarHBondContact NE-O 3.07Å; R191-L306 PolarHBondContact NH2-O 3.11Å; R191-T307 PolarHBondContact N-OG1 2.94Å; R191-T307 VanDerWaalsContact N-OG1 3.08Å; R191-T307 PolarHBondContact O-OG1 2.77Å
192	I	97.9	Very high	82.9	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.5	-171.8	-54.6	-56.8	0	0	0	109.3	L182 L272 F274 V280 Y283 Y284	L182-I192 HydrophobicContact CD1-CD1 3.75Å; L182-I192 HydrophobicContact CD2-CD1 4.37Å; I192-L272 PolarHBondContact N-O 3.4Å; I192-L272 PolarHBondContact O-N 3.44Å; I192-F274 HydrophobicContact CB-CD2 4.26Å; I192-F274 HydrophobicContact CB-CE2 3.94Å; I192-F274 HydrophobicContact CG1-CD2 3.64Å; I192-F274 HydrophobicContact CG1-CE2 3.74Å; I192-V280 HydrophobicContact CD1-CG1 3.86Å; I192-V280 HydrophobicContact CD1-CG2 4.27Å; I192-V280 HydrophobicContact CG1-CG1 4.08Å; I192-V280 HydrophobicContact CG1-CG2 4.13Å; I192-Y283 HydrophobicContact CG2-CD1 4.26Å; I192-Y283 HydrophobicContact CG2-CE1 3.75Å; I192-Y284 HydrophobicContact CG2-CE1 3.93Å; I192-Y284 WeakPolarHBondContact CG2-OH 3.42Å
193	V	97.1	Very high	79.9	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.018	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.1	178.5	-177.2	0	0	0	0	110.1	L97 L269 H270 L299 S303 L306	L97-V193 HydrophobicContact CD2-CG2 4.03Å; V193-L269 HydrophobicContact CG1-CB 4.06Å; V193-L269 HydrophobicContact CG1-CD1 4.12Å; V193-L269 HydrophobicContact CG1-CD2 3.78Å; V193-L269 HydrophobicContact CG1-CG 4.18Å; V193-H270 CarbonylContact C-O 3.57Å; V193-H270 WeakPolarHBondContact CA-O 3.34Å; V193-L299 HydrophobicContact CB-CD2 4.49Å; V193-L299 HydrophobicContact CG1-CD2 3.78Å; V193-S303 PolarHBondContact N-OG 3.13Å; V193-L306 HydrophobicContact CG2-CD1 3.5Å; V193-L306 HydrophobicContact CG2-CG 4.45Å
194	H	95.5	Very high	76.9	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.056	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.6	-180	-179.1	98.6	0	0	0	109.4	H270 L272 Y283 Q290	H194-H270 PolarHBondContact N-O 3.16Å; H194-H270 PolarHBondContact O-N 3.21Å; H194-L272 HydrophobicContact CB-CD1 4.12Å; H194-L272 HydrophobicContact CB-CG 4.24Å; H194-Y283 AromaticContact ND1-CZ 3.89Å; H194-Y283 PolarHBondContact ND1-OH 3.11Å; H194-Q290 PolarHBondContact CE1-NE2 3.41Å
195	L	95	Very high	73.9	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.01	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.3	173.7	-176.8	65	0	0	0	110.5	R197 L260 F265 R268 L269 Q290 Y295 L299	L195-R197 HydrophobicContact CD2-CG 4.34Å; L195-R197 HydrophobicContact CG-CG 4.36Å; L195-R197 PolarHBondContact O-N 3.42Å; L195-L260 HydrophobicContact CD1-CD1 4.28Å; L195-L260 HydrophobicContact CD2-CD1 4.3Å; L195-F265 HydrophobicContact CD1-CD2 4.05Å; L195-F265 HydrophobicContact CD1-CE2 4.31Å; L195-F265 HydrophobicContact CD2-CD2 4.42Å; L195-F265 HydrophobicContact CD2-CE2 4.49Å; L195-R268 HydrophobicContact CD1-CB 3.64Å; L195-L269 HydrophobicContact CD1-CD2 4.06Å; L195-Q290 PolarHBondContact O-NE2 2.89Å; L195-Y295 HydrophobicContact CD2-CD2 3.56Å; L195-Y295 HydrophobicContact CD2-CE2 4.27Å; L195-Y295 HydrophobicContact CD2-CG 4.26Å; L195-L299 HydrophobicContact CB-CD1 3.91Å; L195-L299 HydrophobicContact CB-CD2 3.92Å
196	L	89.7	Confident	70.8	Confident	47 Å²	47	83.6 Å²	83.6	25%	0.246	45%	0.454	C	S	.	.			trans	-78.5	106.9	171.6	-170.7	71.8	0	0	0	109.9	R198 L250 R268	L196-R198 PolarHBondContact O-N 3.03Å; L196-L250 HydrophobicContact CD1-CD1 3.9Å; L196-R268 PolarHBondContact N-O 3.46Å; L196-R268 VanDerWaalsContact N-O 3.08Å
197	R	83.1	Confident	68	Low	46 Å²	46	80.6 Å²	80.6	17%	0.174	46%	0.46	C	S	.	.			trans	-85.6	107	175.4	-61.9	-175.1	175.3	82.4	-0.9	108.5	L195 Q290 T294	L195-R197 HydrophobicContact CD2-CG 4.34Å; L195-R197 HydrophobicContact CG-CG 4.36Å; L195-R197 PolarHBondContact O-N 3.42Å; R197-Q290 VanDerWaalsContact NH1-OE1 3.09Å; R197-T294 PolarHBondContact NH2-O 2.76Å; R197-T294 VanDerWaalsContact NH2-O 3.12Å
198	R	65.3	Low	65	Low	180 Å²	180	86.5 Å²	86.5	68%	0.679	49%	0.494	S	S	*	.			trans	-69.5	150.9	178.2	-88.9	-173.7	177.6	174.1	0.8	110.8	L196 D255	L196-R198 PolarHBondContact O-N 3.03Å; R198-D255 VanDerWaalsContact O-OD2 3.13Å
199	R	45	Very low	62.4	Low	182 Å²	182	90.1 Å²	90.1	69%	0.687	50%	0.497	S	S	*	.			trans	-71.2	122.1	166.1	-178.1	-178.4	-178.4	-172.8	0.3	108.9	N201	R199-N201 PolarHBondContact O-N 3.15Å
200	G	39	Very low	59.7	Low	52 Å²	52	94.3 Å²	94.3	54%	0.536	52%	0.519	S	S	.	.			trans	-53.2	111.9	164.3	0	0	0	0	0	111	A202 D255	G200-A202 PolarHBondContact O-N 2.97Å; G200-A202 VanDerWaalsContact O-N 3.1Å; G200-D255 PolarHBondContact N-OD2 2.99Å; G200-D255 VanDerWaalsContact N-OD2 3.13Å
201	N	33.9	Very low	56.7	Low	146 Å²	146	105 Å²	105	78%	0.781	56%	0.559	S	S	*	*			trans	-68.3	106.7	164.1	-82.4	-10.1	0	0	0	106.6	R199 T203	R199-N201 PolarHBondContact O-N 3.15Å; N201-T203 PolarHBondContact O-N 3.34Å
202	A	32.7	Very low	53.8	Low	92 Å²	92	108.9 Å²	108.9	76%	0.76	59%	0.59	S	S	*	*			trans	-55.1	108.5	164	0	0	0	0	0	107.6	G200 E204	G200-A202 PolarHBondContact O-N 2.97Å; G200-A202 VanDerWaalsContact O-N 3.1Å; A202-E204 VanDerWaalsContact C-N 3.33Å; A202-E204 PolarHBondContact O-N 2.69Å
203	T	36.5	Very low	51.1	Low	131 Å²	131	114.7 Å²	114.7	80%	0.804	63%	0.628	S	S	*	*			trans	-59.4	100.7	161	40.8	0	0	0	0	107.2	N201 A205	N201-T203 PolarHBondContact O-N 3.34Å; T203-A205 PolarHBondContact O-N 3.06Å
204	E	35	Very low	48.2	Very low	202 Å²	202	119.6 Å²	119.6	94%	0.944	67%	0.669	S	S	*	*			trans	-63.3	88.3	159	-74.9	-162.7	158.8	0	0	108.1	A202	A202-E204 VanDerWaalsContact C-N 3.33Å; A202-E204 PolarHBondContact O-N 2.69Å
205	A	33.9	Very low	45.3	Very low	93 Å²	93	122.2 Å²	122.2	77%	0.769	70%	0.7	S	S	*	*			trans	-138.8	96.1	166.4	0	0	0	0	0	107.7	T203	T203-A205 PolarHBondContact O-N 3.06Å
206	G	31.7	Very low	42.6	Very low	77 Å²	77	131.1 Å²	131.1	79%	0.794	74%	0.741	S	S	*	*			trans	135.1	70.4	165.4	0	0	0	0	0	115.8
207	S	36.4	Very low	40	Very low	112 Å²	112	137 Å²	137	78%	0.783	77%	0.767	S	S	*	*			trans	-142.4	85.6	144.7	-146.4	0	0	0	0	110.9	K209	S207-K209 PolarHBondContact O-N 2.86Å; S207-K209 VanDerWaalsContact O-N 3.13Å
208	T	32.9	Very low	37.8	Very low	145 Å²	145	143.6 Å²	143.6	89%	0.89	80%	0.8	S	S	*	*			trans	-57.2	105.9	157.2	33.3	0	0	0	0	109.7
209	K	40.1	Very low	36.3	Very low	195 Å²	195	140.5 Å²	140.5	85%	0.848	81%	0.806	S	S	*	*			trans	-121.6	109.3	157.2	-105.4	-179.3	-180	173.8	0	110.3	S207 R211	S207-K209 PolarHBondContact O-N 2.86Å; S207-K209 VanDerWaalsContact O-N 3.13Å; K209-R211 PolarHBondContact O-N 3.36Å
210	K	37.9	Very low	35.7	Very low	211 Å²	211	135.6 Å²	135.6	92%	0.917	80%	0.804	S	S	*	*			trans	-43.7	125.2	165.9	-73.5	171.2	169.9	175.6	0	112.2
211	R	34.6	Very low	35.5	Very low	249 Å²	249	140.9 Å²	140.9	94%	0.94	82%	0.819	S	S	*	*				-172	115.1	128.7	-135.2	169.5	166.5	-179.6	-6.1	110.7	K209	K209-R211 PolarHBondContact O-N 3.36Å
212	S	36.3	Very low	35.5	Very low	109 Å²	109	138.6 Å²	138.6	76%	0.762	82%	0.821	S	S	*	*			trans	-95.5	-177.7	166.7	35.4	0	0	0	0	109.8
213	P	41	Very low	35.5	Very low	122 Å²	122	138 Å²	138	79%	0.792	82%	0.824	S	S	*	*			cis	-136.7	167.7	-47	35.8	-19.9	0	0	0	112.8
214	A	36.3	Very low	35.3	Very low	107 Å²	107	141.2 Å²	141.2	88%	0.884	83%	0.83	S	S	*	*			trans	-178.9	137.7	150.9	0	0	0	0	0	113.6
215	G	35.3	Very low	35.1	Very low	67 Å²	67	136.3 Å²	136.3	69%	0.691	82%	0.824	S	S	*	*			trans	90.9	105.3	161.9	0	0	0	0	0	115.5
216	E	37.5	Very low	35.1	Very low	188 Å²	188	137 Å²	137	88%	0.879	83%	0.829	S	S	*	*				62.4	124.6	74.6	-62.7	178.4	175.5	0	0	110.3
217	E	36.4	Very low	35	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	83%	0.831	S	S	*	*			cis	-156.7	139.7	23.1	-60.8	176.5	136.1	0	0	107.4
218	E	35.1	Very low	34.9	Very low	185 Å²	185	137.7 Å²	137.7	86%	0.864	83%	0.834	S	S	*	*				64	110.2	97.8	-149	173.4	-149.3	0	0	117.4
219	S	35	Very low	35	Very low	114 Å²	114	136 Å²	136	80%	0.797	83%	0.829	S	S	*	*				154.6	126.6	124.6	-173.2	0	0	0	0	113.2
220	A	31.7	Very low	34.7	Very low	79 Å²	79	135.9 Å²	135.9	65%	0.653	83%	0.831	S	S	*	*			trans	-69.6	157	171.5	0	0	0	0	0	113
221	L	35.3	Very low	34.4	Very low	163 Å²	163	134.8 Å²	134.8	85%	0.853	83%	0.83	S	S	*	*				175.8	130.2	114.1	-112	96.8	0	0	0	112.5
222	A	34.1	Very low	34.3	Very low	98 Å²	98	129.5 Å²	129.5	81%	0.81	82%	0.824	S	S	*	*			trans	51	133.5	133.9	0	0	0	0	0	122.1
223	G	33.1	Very low	34.2	Very low	80 Å²	80	133.5 Å²	133.5	83%	0.825	83%	0.831	S	S	*	*			trans	146.9	102.8	144	0	0	0	0	0	115.5
224	Q	31.8	Very low	33.6	Very low	199 Å²	199	136.2 Å²	136.2	93%	0.93	83%	0.833	S	S	*	*			trans	-52.2	146.9	171.6	-64.4	155	6.7	0	0	113.7
225	A	31.4	Very low	33.6	Very low	99 Å²	99	135.6 Å²	135.6	82%	0.818	83%	0.828	S	S	*	*				171.1	141.2	117.8	0	0	0	0	0	113.6
226	A	33.9	Very low	33.5	Very low	106 Å²	106	137 Å²	137	88%	0.876	83%	0.833	S	S	*	*			trans	83	107	145	0	0	0	0	0	120.6
227	G	29.7	Very low	33.7	Very low	81 Å²	81	131.4 Å²	131.4	84%	0.835	81%	0.807	S	S	*	*				87.8	90.8	118.4	0	0	0	0	0	117.9
228	S	33.9	Very low	34.5	Very low	123 Å²	123	124.1 Å²	124.1	86%	0.86	78%	0.776	S	S	*	*			trans	-112.1	99.1	158.7	58.3	0	0	0	0	109.1
229	S	35.2	Very low	35.6	Very low	111 Å²	111	118.4 Å²	118.4	78%	0.776	75%	0.754	S	S	*	*			trans	-89.9	125.7	159.8	30.3	0	0	0	0	107.9	E231	S229-E231 PolarHBondContact O-N 3.27Å
230	E	33.8	Very low	36.6	Very low	192 Å²	192	115.7 Å²	115.7	90%	0.897	73%	0.733	S	S	*	*			trans	-62.2	115.3	176.9	-67.1	174.4	142.9	0	0	110.3
231	E	32.1	Very low	37.9	Very low	188 Å²	188	115 Å²	115	88%	0.879	73%	0.728	S	S	*	*			trans	-87.2	111.2	166.5	-74.3	-177.8	159.9	0	0	108.7	S229 E233	S229-E231 PolarHBondContact O-N 3.27Å; E231-E233 PolarHBondContact O-N 3.28Å
232	V	32.3	Very low	38.9	Very low	137 Å²	137	109 Å²	109	83%	0.83	70%	0.7	S	S	*	*			trans	-80.7	108	165.3	177.2	0	0	0	0	106.8	E234	V232-E234 PolarHBondContact O-N 2.98Å
233	E	33.3	Very low	40.1	Very low	193 Å²	193	104.7 Å²	104.7	90%	0.902	66%	0.663	S	S	*	*			trans	-66.8	113.6	175.1	-102.2	-172.4	152.9	0	0	110.8	E231	E231-E233 PolarHBondContact O-N 3.28Å
234	E	29.1	Very low	41.2	Very low	180 Å²	180	102.3 Å²	102.3	84%	0.841	63%	0.634	S	S	*	*			trans	-71.4	120.7	172.6	-128.2	179.3	169.7	0	0	110.3	V232 A236	V232-E234 PolarHBondContact O-N 2.98Å; E234-A236 PolarHBondContact O-N 2.79Å
235	A	35.1	Very low	42.4	Very low	94 Å²	94	100.5 Å²	100.5	78%	0.777	62%	0.623	S	S	*	*			trans	-71.9	107.5	-177.9	0	0	0	0	0	112.3
236	A	34.7	Very low	43.2	Very low	96 Å²	96	99.9 Å²	99.9	79%	0.793	61%	0.606	S	S	*	*			trans	-69.7	145.3	176.2	0	0	0	0	0	113.6	E234	E234-A236 PolarHBondContact O-N 2.79Å
237	E	41.5	Very low	43.9	Very low	70 Å²	70	96.2 Å²	96.2	33%	0.327	57%	0.573	S	S	.	*			trans	-63.6	133.8	-172.7	-164.6	177.6	172.2	0	0	114.3	Q86 T239 S242	Q86-E237 WeakPolarHBondContact CG-OE2 3.19Å; E237-T239 PolarHBondContact O-N 2.87Å; E237-S242 PolarHBondContact O-OG 3.12Å
238	A	52	Low	45	Very low	18 Å²	18	98.6 Å²	98.6	15%	0.149	56%	0.563	C	S	.	*			trans	-86.4	83.2	180	0	0	0	0	0	111.1	S242 V243 L272	A238-S242 WeakPolarHBondContact CA-OG 3.27Å; A238-V243 HydrophobicContact CB-CG2 3.64Å; A238-L272 HydrophobicContact CB-CD2 3.89Å; A238-L272 WeakPolarHBondContact O-CD2 3.47Å
239	T	57.8	Low	45.6	Very low	65 Å²	65	96.7 Å²	96.7	40%	0.399	56%	0.555	S	S	.	*			trans	-66.6	154.7	164.1	65.1	0	0	0	0	111	E237 A241 S242 V243	E237-T239 PolarHBondContact O-N 2.87Å; T239-A241 PolarHBondContact O-N 2.94Å; T239-S242 PolarHBondContact N-OG 3.16Å; T239-S242 PolarHBondContact O-N 3.03Å; T239-S242 PolarHBondContact O-OG 2.98Å; T239-S242 PolarHBondContact OG1-N 3.11Å; T239-S242 PolarHBondContact OG1-OG 3.16Å; T239-V243 PolarHBondContact O-N 3.39Å
240	P	57.5	Low	46.5	Very low	57 Å²	57	94.9 Å²	94.9	37%	0.37	54%	0.536	S	S	.	.	H	α-helix	trans	-51.7	-32.7	172.9	-27.4	34.7	0	0	0	113.1	S244 F274	P240-S244 VanDerWaalsContact O-CB 3.31Å; P240-S244 WeakPolarHBondContact O-CB 3.4Å; P240-S244 PolarHBondContact O-N 3.09Å; P240-F274 HydrophobicContact CB-CE1 4.07Å; P240-F274 HydrophobicContact CB-CZ 4.43Å; P240-F274 HydrophobicContact CG-CD1 4.17Å; P240-F274 HydrophobicContact CG-CE1 3.53Å; P240-F274 HydrophobicContact CG-CZ 3.97Å
241	A	58.3	Low	46.9	Very low	66 Å²	66	93.2 Å²	93.2	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-71.7	-39.6	175.7	0	0	0	0	0	113.3	T239 K245	T239-A241 PolarHBondContact O-N 2.94Å; A241-K245 WeakPolarHBondContact O-CG 3.45Å; A241-K245 PolarHBondContact O-N 3.39Å
242	S	56.4	Low	47.3	Very low	37 Å²	37	90 Å²	90	26%	0.259	52%	0.517	S	S	.	.	H	α-helix	trans	-72.1	-33.7	175.3	50.1	0	0	0	0	111.6	E237 A238 T239 K245 L246	E237-S242 PolarHBondContact O-OG 3.12Å; A238-S242 WeakPolarHBondContact CA-OG 3.27Å; T239-S242 PolarHBondContact N-OG 3.16Å; T239-S242 PolarHBondContact O-N 3.03Å; T239-S242 PolarHBondContact O-OG 2.98Å; T239-S242 PolarHBondContact OG1-N 3.11Å; T239-S242 PolarHBondContact OG1-OG 3.16Å; S242-K245 PolarHBondContact O-N 3.45Å; S242-L246 WeakPolarHBondContact O-CB 3.34Å; S242-L246 WeakPolarHBondContact O-CD1 3.49Å; S242-L246 WeakPolarHBondContact O-CG 3.37Å; S242-L246 PolarHBondContact O-N 3.16Å
243	V	58.6	Low	48	Very low	7 Å²	7	92.4 Å²	92.4	4%	0.042	52%	0.518	C	S	.	.	H	α-helix	trans	-72.2	-37.6	174.4	179.3	0	0	0	0	112.6	A238 T239 K245 L246 S247 L272	A238-V243 HydrophobicContact CB-CG2 3.64Å; T239-V243 PolarHBondContact O-N 3.39Å; V243-K245 VanDerWaalsContact C-N 3.28Å; V243-K245 PolarHBondContact O-N 3.38Å; V243-L246 CarbonylContact O-C 3.59Å; V243-L246 PolarHBondContact O-N 2.97Å; V243-S247 WeakPolarHBondContact O-CB 3.35Å; V243-S247 PolarHBondContact O-N 3.22Å; V243-S247 PolarHBondContact O-OG 2.97Å; V243-L272 HydrophobicContact CB-CD1 4.45Å; V243-L272 HydrophobicContact CB-CD2 4.24Å; V243-L272 HydrophobicContact CG1-CD1 4.22Å; V243-L272 HydrophobicContact CG2-CD1 4.4Å; V243-L272 HydrophobicContact CG2-CD2 3.36Å
244	S	56	Low	48.5	Very low	30 Å²	30	92.3 Å²	92.3	21%	0.21	52%	0.518	C	S	.	.	H	α-helix	trans	-61.2	-37.5	171.8	-176.1	0	0	0	0	111.9	P240 S247 Q248	P240-S244 VanDerWaalsContact O-CB 3.31Å; P240-S244 WeakPolarHBondContact O-CB 3.4Å; P240-S244 PolarHBondContact O-N 3.09Å; S244-S247 WeakPolarHBondContact CA-OG 3.16Å; S244-S247 PolarHBondContact O-OG 3.19Å; S244-S247 VanDerWaalsContact O-OG 3.12Å; S244-Q248 WeakPolarHBondContact O-CB 3.38Å; S244-Q248 VanDerWaalsContact O-CG 3.28Å; S244-Q248 WeakPolarHBondContact O-CG 3.46Å; S244-Q248 PolarHBondContact O-N 2.93Å; S244-Q248 PolarHBondContact OG-NE2 2.95Å
245	K	56.7	Low	49.6	Very low	160 Å²	160	86 Å²	86	70%	0.696	49%	0.49	S	S	*	.	H	α-helix	trans	-67.4	-42	172.4	-74.9	-178.8	180	-177.7	0	112.4	A241 S242 V243 A249	A241-K245 WeakPolarHBondContact O-CG 3.45Å; A241-K245 PolarHBondContact O-N 3.39Å; S242-K245 PolarHBondContact O-N 3.45Å; V243-K245 VanDerWaalsContact C-N 3.28Å; V243-K245 PolarHBondContact O-N 3.38Å; K245-A249 WeakPolarHBondContact O-CB 3.23Å; K245-A249 PolarHBondContact O-N 3.32Å; K245-A249 VanDerWaalsContact O-N 3.08Å
246	L	49.9	Very low	50.5	Low	87 Å²	87	83.7 Å²	83.7	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-64.7	-41.9	176	-76.5	155	0	0	0	111.2	S242 V243 A249 L250	S242-L246 WeakPolarHBondContact O-CB 3.34Å; S242-L246 WeakPolarHBondContact O-CD1 3.49Å; S242-L246 WeakPolarHBondContact O-CG 3.37Å; S242-L246 PolarHBondContact O-N 3.16Å; V243-L246 CarbonylContact O-C 3.59Å; V243-L246 PolarHBondContact O-N 2.97Å; L246-A249 PolarHBondContact O-N 2.91Å; L246-L250 VanDerWaalsContact O-CD1 3.26Å; L246-L250 WeakPolarHBondContact O-CD1 3.47Å; L246-L250 WeakPolarHBondContact O-CG 3.35Å; L246-L250 PolarHBondContact O-N 3.03Å
247	S	48.6	Very low	51.6	Low	28 Å²	28	86 Å²	86	20%	0.196	46%	0.458	C	S	.	.	H	α-helix	trans	-70.3	-38.8	179.7	67.7	0	0	0	0	112.1	V243 S244 A249 L250 N287	V243-S247 WeakPolarHBondContact O-CB 3.35Å; V243-S247 PolarHBondContact O-N 3.22Å; V243-S247 PolarHBondContact O-OG 2.97Å; S244-S247 WeakPolarHBondContact CA-OG 3.16Å; S244-S247 PolarHBondContact O-OG 3.19Å; S244-S247 VanDerWaalsContact O-OG 3.12Å; S247-A249 VanDerWaalsContact C-N 3.31Å; S247-A249 PolarHBondContact O-N 3.16Å; S247-L250 PolarHBondContact O-N 3.16Å; S247-N287 PolarHBondContact OG-OD1 3.38Å
248	Q	51.8	Low	52.9	Low	131 Å²	131	87.9 Å²	87.9	61%	0.612	47%	0.466	S	S	*	.	H	α-helix	trans	-65.4	-32.1	172.4	-75.6	176.4	32.5	0	0	112.8	S244 L250	S244-Q248 WeakPolarHBondContact O-CB 3.38Å; S244-Q248 VanDerWaalsContact O-CG 3.28Å; S244-Q248 WeakPolarHBondContact O-CG 3.46Å; S244-Q248 PolarHBondContact O-N 2.93Å; S244-Q248 PolarHBondContact OG-NE2 2.95Å; Q248-L250 PolarHBondContact O-N 3.46Å
249	A	47	Very low	54.4	Low	84 Å²	84	93.1 Å²	93.1	69%	0.694	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-11.7	176.6	0	0	0	0	0	113.8	K245 L246 S247	K245-A249 WeakPolarHBondContact O-CB 3.23Å; K245-A249 PolarHBondContact O-N 3.32Å; K245-A249 VanDerWaalsContact O-N 3.08Å; L246-A249 PolarHBondContact O-N 2.91Å; S247-A249 VanDerWaalsContact C-N 3.31Å; S247-A249 PolarHBondContact O-N 3.16Å
250	L	54	Low	56.1	Low	72 Å²	72	90.8 Å²	90.8	38%	0.377	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	10	-169.4	-69.4	169.8	0	0	0	114.5	L196 L246 S247 Q248 L252	L196-L250 HydrophobicContact CD1-CD1 3.9Å; L246-L250 VanDerWaalsContact O-CD1 3.26Å; L246-L250 WeakPolarHBondContact O-CD1 3.47Å; L246-L250 WeakPolarHBondContact O-CG 3.35Å; L246-L250 PolarHBondContact O-N 3.03Å; S247-L250 PolarHBondContact O-N 3.16Å; Q248-L250 PolarHBondContact O-N 3.46Å; L250-L252 PolarHBondContact O-N 3.21Å
251	Q	42.7	Very low	57.8	Low	158 Å²	158	90 Å²	90	74%	0.738	47%	0.469	S	S	*	.			trans	-75.5	90.2	179.5	-72.2	177.7	-12.1	0	0	112.4
252	L	40.3	Very low	59.5	Low	121 Å²	121	87.4 Å²	87.4	63%	0.634	45%	0.446	S	S	*	.			trans	-131	122.2	157.1	-83.5	163.4	0	0	0	107.8	L250 H254	L250-L252 PolarHBondContact O-N 3.21Å; L252-H254 PolarHBondContact O-N 2.75Å
253	E	45.7	Very low	61.2	Low	186 Å²	186	90 Å²	90	87%	0.869	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-3.1	-171.3	-65.5	-177.6	154.7	0	0	115.4
254	H	45.2	Very low	62.9	Low	192 Å²	192	93.1 Å²	93.1	89%	0.889	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.4	-164.7	-134.3	70	0	0	0	116.3	L252	L252-H254 PolarHBondContact O-N 2.75Å
255	D	51.2	Low	64.8	Low	47 Å²	47	91.7 Å²	91.7	25%	0.251	46%	0.461	S	S	.	.	S	Bend	trans	-116.2	3	-175.9	-138.7	-14.1	0	0	0	114	R198 G200 H257 Q258	R198-D255 VanDerWaalsContact O-OD2 3.13Å; G200-D255 PolarHBondContact N-OD2 2.99Å; G200-D255 VanDerWaalsContact N-OD2 3.13Å; D255-H257 PolarHBondContact O-N 2.9Å; D255-H257 VanDerWaalsContact O-N 3.09Å; D255-Q258 PolarHBondContact O-N 2.73Å; D255-Q258 WeakPolarHBondContact OD1-CB 3.06Å
256	M	54.3	Low	66.6	Low	46 Å²	46	85.2 Å²	85.2	23%	0.227	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.9	-171.8	-57.1	-159.3	82.7	0	0	114.1	D289 H293	M256-D289 HydrophobicContact CE-CB 3.94Å; M256-H293 WeakPolarHBondContact CE-ND1 3.11Å
257	H	58.1	Low	68.6	Low	145 Å²	145	88.2 Å²	88.2	67%	0.671	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	7.7	-177.2	-62.7	-57.6	0	0	0	114.3	D255 E259	D255-H257 PolarHBondContact O-N 2.9Å; D255-H257 VanDerWaalsContact O-N 3.09Å; H257-E259 PolarHBondContact O-N 3.15Å; H257-E259 VanDerWaalsContact O-N 3.12Å
258	Q	68.3	Low	70.7	Confident	108 Å²	108	89.1 Å²	89.1	51%	0.505	44%	0.444	S	S	.	.			trans	-64.6	117.5	175.6	-169.9	171.2	56.3	0	0	109.8	D255 L260	D255-Q258 PolarHBondContact O-N 2.73Å; D255-Q258 WeakPolarHBondContact OD1-CB 3.06Å; Q258-L260 PolarHBondContact O-N 2.75Å; Q258-L260 VanDerWaalsContact O-N 3.15Å
259	E	84.8	Confident	72.8	Confident	129 Å²	129	83 Å²	83	60%	0.603	42%	0.415	S	S	*	.			trans	-70.8	105.9	173.8	-68.6	-173.1	177.7	0	0	108.6	K115 H257	K115-E259 WeakPolarHBondContact CE-OE1 3.38Å; K115-E259 IonicContact NZ-OE1 2.78Å; K115-E259 PolarHBondContact NZ-OE1 2.96Å; K115-E259 IonicContact NZ-OE2 3.55Å; K115-E259 PolarHBondContact NZ-OE2 3.48Å; H257-E259 PolarHBondContact O-N 3.15Å; H257-E259 VanDerWaalsContact O-N 3.12Å
260	L	91.7	Very high	75	Confident	15 Å²	15	82.7 Å²	82.7	8%	0.079	40%	0.4	C	S	.	.			trans	-74.2	141.6	170.5	-53.1	179.8	0	0	0	110.2	L195 Q258 E264 F265 R268 Y295	L195-L260 HydrophobicContact CD1-CD1 4.28Å; L195-L260 HydrophobicContact CD2-CD1 4.3Å; Q258-L260 PolarHBondContact O-N 2.75Å; Q258-L260 VanDerWaalsContact O-N 3.15Å; L260-E264 HydrophobicContact CB-CB 4.14Å; L260-F265 HydrophobicContact CB-CB 4.29Å; L260-F265 HydrophobicContact CD1-CB 4.38Å; L260-R268 VanDerWaalsContact CD2-CZ 3.47Å; L260-R268 VanDerWaalsContact CD2-NH1 3.3Å; L260-Y295 HydrophobicContact CB-CE2 4.46Å; L260-Y295 WeakPolarHBondContact CB-OH 3.37Å; L260-Y295 HydrophobicContact CD1-CE2 4.03Å; L260-Y295 HydrophobicContact CG-CE2 4.07Å; L260-Y295 PolarHBondContact N-OH 3.41Å; L260-Y295 PolarHBondContact O-OH 2.84Å
261	S	93.2	Very high	77	Confident	41 Å²	41	79.7 Å²	79.7	29%	0.287	38%	0.384	S	S	.	.			trans	-61.1	159.2	162.3	63.3	0	0	0	0	110.7	D263 E264 F265	S261-D263 PolarHBondContact O-N 3.35Å; S261-E264 WeakPolarHBondContact CB-OE2 3.49Å; S261-E264 PolarHBondContact N-OE2 3.46Å; S261-E264 PolarHBondContact O-N 3.2Å; S261-E264 WeakPolarHBondContact OG-CB 3.3Å; S261-E264 WeakPolarHBondContact OG-CG 3.43Å; S261-E264 PolarHBondContact OG-N 2.84Å; S261-E264 PolarHBondContact OG-OE2 3.24Å; S261-F265 PolarHBondContact O-N 3.05Å
262	P	94.4	Very high	79.5	Confident	11 Å²	11	72.2 Å²	72.2	7%	0.071	35%	0.349	C	S	.	.	H	α-helix	trans	-52.7	-42.9	175.6	-26.9	34.1	0	0	0	112.7	V109 E111 F114 F265 H266	V109-P262 HydrophobicContact CB-CB 3.93Å; V109-P262 HydrophobicContact CB-CG 4.28Å; V109-P262 HydrophobicContact CG1-CB 3.75Å; V109-P262 HydrophobicContact CG1-CG 3.9Å; E111-P262 HydrophobicContact CG-CG 4.32Å; F114-P262 HydrophobicContact CB-CG 4.05Å; F114-P262 HydrophobicContact CD1-CB 4.31Å; F114-P262 HydrophobicContact CD1-CG 3.81Å; F114-P262 HydrophobicContact CD2-CB 4.21Å; F114-P262 HydrophobicContact CD2-CG 4.33Å; F114-P262 HydrophobicContact CE1-CG 4.37Å; F114-P262 HydrophobicContact CE2-CB 4.42Å; F114-P262 HydrophobicContact CG-CB 4.17Å; F114-P262 HydrophobicContact CG-CG 3.79Å; P262-F265 PolarHBondContact O-N 3.02Å; P262-H266 PolarHBondContact O-N 3.38Å; P262-H266 VanDerWaalsContact O-N 3.13Å; P262-H266 PolarHBondContact O-ND1 3.19Å
263	D	93.2	Very high	82.2	Confident	91 Å²	91	68.8 Å²	68.8	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-45.1	-178	-67.7	-30.8	0	0	0	112	K101 S261 F265 H266 E267	K101-D263 IonicContact NZ-OD1 3.29Å; K101-D263 PolarHBondContact NZ-OD1 3.06Å; S261-D263 PolarHBondContact O-N 3.35Å; D263-F265 VanDerWaalsContact C-N 3.27Å; D263-F265 PolarHBondContact O-N 2.78Å; D263-H266 PolarHBondContact O-N 3.44Å; D263-H266 VanDerWaalsContact O-N 3.13Å; D263-E267 WeakPolarHBondContact O-CG 3.45Å; D263-E267 PolarHBondContact O-N 2.83Å
264	E	93.8	Very high	84.6	Confident	74 Å²	74	60.5 Å²	60.5	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-36.9	174.8	-72.4	172.3	120.4	0	0	112.7	L260 S261 R268	L260-E264 HydrophobicContact CB-CB 4.14Å; S261-E264 WeakPolarHBondContact CB-OE2 3.49Å; S261-E264 PolarHBondContact N-OE2 3.46Å; S261-E264 PolarHBondContact O-N 3.2Å; S261-E264 WeakPolarHBondContact OG-CB 3.3Å; S261-E264 WeakPolarHBondContact OG-CG 3.43Å; S261-E264 PolarHBondContact OG-N 2.84Å; S261-E264 PolarHBondContact OG-OE2 3.24Å; E264-R268 WeakPolarHBondContact O-CB 3.43Å; E264-R268 WeakPolarHBondContact O-CD 3.39Å; E264-R268 WeakPolarHBondContact O-CG 3.42Å; E264-R268 PolarHBondContact O-N 2.61Å; E264-R268 IonicContact OE1-NH2 3.91Å
265	F	95.1	Very high	87	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-50.2	174.4	168.8	-101.3	0	0	0	110.9	F114 L195 L260 S261 P262 D263 E267 R268 L269 Y295 L298 L299	F114-F265 HydrophobicContact CE1-CB 4.31Å; F114-F265 AromaticContact CE2-CD1 3.8Å; F114-F265 HydrophobicContact CE2-CD1 3.8Å; F114-F265 HydrophobicContact CE2-CE1 4.29Å; F114-F265 HydrophobicContact CE2-CG 4.28Å; F114-F265 HydrophobicContact CZ-CB 3.64Å; F114-F265 AromaticContact CZ-CD1 3.59Å; F114-F265 HydrophobicContact CZ-CD1 3.59Å; F114-F265 HydrophobicContact CZ-CD2 4.35Å; F114-F265 HydrophobicContact CZ-CE1 4.32Å; F114-F265 AromaticContact CZ-CG 3.59Å; F114-F265 HydrophobicContact CZ-CG 3.59Å; L195-F265 HydrophobicContact CD1-CD2 4.05Å; L195-F265 HydrophobicContact CD1-CE2 4.31Å; L195-F265 HydrophobicContact CD2-CD2 4.42Å; L195-F265 HydrophobicContact CD2-CE2 4.49Å; L260-F265 HydrophobicContact CB-CB 4.29Å; L260-F265 HydrophobicContact CD1-CB 4.38Å; S261-F265 PolarHBondContact O-N 3.05Å; P262-F265 PolarHBondContact O-N 3.02Å; D263-F265 VanDerWaalsContact C-N 3.27Å; D263-F265 PolarHBondContact O-N 2.78Å; F265-E267 PolarHBondContact O-N 3.04Å; F265-R268 PolarHBondContact O-N 2.96Å; F265-L269 HydrophobicContact CD2-CD2 4.33Å; F265-L269 HydrophobicContact CE1-CD1 3.98Å; F265-L269 HydrophobicContact CE1-CD2 4.11Å; F265-L269 HydrophobicContact CE1-CG 4.43Å; F265-L269 HydrophobicContact CE2-CD2 3.81Å; F265-L269 HydrophobicContact CZ-CD1 4.29Å; F265-L269 HydrophobicContact CZ-CD2 3.71Å; F265-L269 HydrophobicContact CZ-CG 4.5Å; F265-L269 WeakPolarHBondContact O-CG 3.43Å; F265-Y295 AromaticContact CD2-CD1 3.76Å; F265-Y295 HydrophobicContact CD2-CD1 3.76Å; F265-Y295 HydrophobicContact CD2-CD2 4.27Å; F265-Y295 HydrophobicContact CD2-CE1 4.17Å; F265-Y295 AromaticContact CD2-CG 3.81Å; F265-Y295 HydrophobicContact CD2-CG 3.81Å; F265-Y295 AromaticContact CE2-CD1 3.88Å; F265-Y295 HydrophobicContact CE2-CD1 3.88Å; F265-Y295 HydrophobicContact CE2-CD2 4.47Å; F265-Y295 AromaticContact CE2-CG 3.73Å; F265-Y295 HydrophobicContact CE2-CG 3.73Å; F265-L298 HydrophobicContact CE1-CB 4.38Å; F265-L298 HydrophobicContact CE1-CD1 4.11Å; F265-L298 HydrophobicContact CZ-CB 3.81Å; F265-L298 HydrophobicContact CZ-CD1 4.06Å; F265-L299 HydrophobicContact CE2-CD2 4.13Å; F265-L299 HydrophobicContact CZ-CD2 4.19Å
266	H	94.5	Very high	89.1	Confident	23 Å²	23	62 Å²	62	11%	0.106	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-35.4	-177.6	-70.9	95.9	0	0	0	113	P262 D263 R268 L269 Y302	P262-H266 PolarHBondContact O-N 3.38Å; P262-H266 VanDerWaalsContact O-N 3.13Å; P262-H266 PolarHBondContact O-ND1 3.19Å; D263-H266 PolarHBondContact O-N 3.44Å; D263-H266 VanDerWaalsContact O-N 3.13Å; H266-R268 PolarHBondContact O-N 3.04Å; H266-L269 PolarHBondContact O-N 3.18Å; H266-Y302 AromaticContact NE2-CE1 3.87Å; H266-Y302 AromaticContact NE2-CZ 3.54Å; H266-Y302 PolarHBondContact NE2-OH 3.1Å
267	E	92.8	Very high	91.2	Very high	150 Å²	150	61.4 Å²	61.4	70%	0.701	29%	0.294	S	S	*	.	H	α-helix	trans	-66.1	-24.5	176.1	-74.3	177.9	178.3	0	0	113.2	D263 F265	D263-E267 WeakPolarHBondContact O-CG 3.45Å; D263-E267 PolarHBondContact O-N 2.83Å; F265-E267 PolarHBondContact O-N 3.04Å
268	R	93.7	Very high	93.1	Very high	47 Å²	47	57.2 Å²	57.2	18%	0.177	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4	-177.8	-66.1	176.1	-164.5	-161.8	8.4	113.8	L195 L196 L260 E264 F265 H266	L195-R268 HydrophobicContact CD1-CB 3.64Å; L196-R268 PolarHBondContact N-O 3.46Å; L196-R268 VanDerWaalsContact N-O 3.08Å; L260-R268 VanDerWaalsContact CD2-CZ 3.47Å; L260-R268 VanDerWaalsContact CD2-NH1 3.3Å; E264-R268 WeakPolarHBondContact O-CB 3.43Å; E264-R268 WeakPolarHBondContact O-CD 3.39Å; E264-R268 WeakPolarHBondContact O-CG 3.42Å; E264-R268 PolarHBondContact O-N 2.61Å; E264-R268 IonicContact OE1-NH2 3.91Å; F265-R268 PolarHBondContact O-N 2.96Å; H266-R268 PolarHBondContact O-N 3.04Å
269	L	94.8	Very high	94.5	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.2	178.7	-60.9	-174.7	0	0	0	111.5	L97 V193 L195 F265 H266 L299 Y302	L97-L269 HydrophobicContact CD1-CB 4.11Å; L97-L269 HydrophobicContact CD2-CD1 4.27Å; V193-L269 HydrophobicContact CG1-CB 4.06Å; V193-L269 HydrophobicContact CG1-CD1 4.12Å; V193-L269 HydrophobicContact CG1-CD2 3.78Å; V193-L269 HydrophobicContact CG1-CG 4.18Å; L195-L269 HydrophobicContact CD1-CD2 4.06Å; F265-L269 HydrophobicContact CD2-CD2 4.33Å; F265-L269 HydrophobicContact CE1-CD1 3.98Å; F265-L269 HydrophobicContact CE1-CD2 4.11Å; F265-L269 HydrophobicContact CE1-CG 4.43Å; F265-L269 HydrophobicContact CE2-CD2 3.81Å; F265-L269 HydrophobicContact CZ-CD1 4.29Å; F265-L269 HydrophobicContact CZ-CD2 3.71Å; F265-L269 HydrophobicContact CZ-CG 4.5Å; F265-L269 WeakPolarHBondContact O-CG 3.43Å; H266-L269 PolarHBondContact O-N 3.18Å; L269-L299 HydrophobicContact CD2-CD2 3.67Å; L269-Y302 HydrophobicContact CD1-CD1 4.17Å; L269-Y302 HydrophobicContact CD1-CE1 4.29Å
270	H	92.8	Very high	95.2	Very high	79 Å²	79	46.9 Å²	46.9	37%	0.366	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.1	171	-71.5	-90.4	0	0	0	110.4	V193 H194	V193-H270 CarbonylContact C-O 3.57Å; V193-H270 WeakPolarHBondContact CA-O 3.34Å; H194-H270 PolarHBondContact N-O 3.16Å; H194-H270 PolarHBondContact O-N 3.21Å
271	T	95.6	Very high	95.5	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.8	178.3	-57.1	0	0	0	0	110.6	D93 R191 L306	D93-T271 HydrophobicContact CB-CG2 4.26Å; R191-T271 HydrophobicContact CB-CG2 3.85Å; R191-T271 HydrophobicContact CG-CG2 4.34Å; T271-L306 HydrophobicContact CG2-CD1 3.84Å; T271-L306 WeakPolarHBondContact OG1-CD1 3.35Å
272	L	95.9	Very high	95.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.9	175.3	-53.5	-178.6	0	0	0	110	R191 I192 H194 A238 V243 F274 Y283	R191-L272 WeakPolarHBondContact CA-O 3.33Å; I192-L272 PolarHBondContact N-O 3.4Å; I192-L272 PolarHBondContact O-N 3.44Å; H194-L272 HydrophobicContact CB-CD1 4.12Å; H194-L272 HydrophobicContact CB-CG 4.24Å; A238-L272 HydrophobicContact CB-CD2 3.89Å; A238-L272 WeakPolarHBondContact O-CD2 3.47Å; V243-L272 HydrophobicContact CB-CD1 4.45Å; V243-L272 HydrophobicContact CB-CD2 4.24Å; V243-L272 HydrophobicContact CG1-CD1 4.22Å; V243-L272 HydrophobicContact CG2-CD1 4.4Å; V243-L272 HydrophobicContact CG2-CD2 3.36Å; L272-F274 HydrophobicContact CB-CD2 4.41Å; L272-F274 HydrophobicContact CB-CE2 3.6Å; L272-F274 HydrophobicContact CB-CZ 4.14Å; L272-F274 HydrophobicContact CD1-CE2 4.44Å; L272-F274 HydrophobicContact CD1-CZ 4.39Å; L272-Y283 HydrophobicContact CD1-CD2 4.06Å; L272-Y283 HydrophobicContact CD1-CE1 4.36Å; L272-Y283 HydrophobicContact CD1-CE2 3.41Å; L272-Y283 VanDerWaalsContact CD1-CE2 3.41Å
273	H	96.3	Very high	95.9	Very high	49 Å²	49	51.5 Å²	51.5	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.6	-176.7	-71.9	-123.4	0	0	0	111.4	D93 Y190	D93-H273 IonicContact OD1-CE1 2.97Å; D93-H273 IonicContact OD1-NE2 3.81Å; D93-H273 IonicContact OD2-CD2 2.74Å; D93-H273 IonicContact OD2-CE1 2.8Å; D93-H273 PolarHBondContact OD2-CE1 3.41Å; D93-H273 IonicContact OD2-NE2 2.76Å; D93-H273 PolarHBondContact OD2-NE2 2.96Å; Y190-H273 WeakPolarHBondContact O-CA 3.29Å
274	F	97.4	Very high	96.1	Very high	12 Å²	12	47.3 Å²	47.3	5%	0.053	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.7	178.3	-61	-89.6	0	0	0	111.2	R189 Y190 I192 P240 L272 A279 V280 Y283	R189-F274 WeakPolarHBondContact CA-O 3.38Å; Y190-F274 PolarHBondContact N-O 3.38Å; Y190-F274 PolarHBondContact O-N 3.43Å; I192-F274 HydrophobicContact CB-CD2 4.26Å; I192-F274 HydrophobicContact CB-CE2 3.94Å; I192-F274 HydrophobicContact CG1-CD2 3.64Å; I192-F274 HydrophobicContact CG1-CE2 3.74Å; P240-F274 HydrophobicContact CB-CE1 4.07Å; P240-F274 HydrophobicContact CB-CZ 4.43Å; P240-F274 HydrophobicContact CG-CD1 4.17Å; P240-F274 HydrophobicContact CG-CE1 3.53Å; P240-F274 HydrophobicContact CG-CZ 3.97Å; L272-F274 HydrophobicContact CB-CD2 4.41Å; L272-F274 HydrophobicContact CB-CE2 3.6Å; L272-F274 HydrophobicContact CB-CZ 4.14Å; L272-F274 HydrophobicContact CD1-CE2 4.44Å; L272-F274 HydrophobicContact CD1-CZ 4.39Å; F274-A279 HydrophobicContact CB-CB 4.4Å; F274-A279 HydrophobicContact CD1-CB 3.72Å; F274-A279 HydrophobicContact CG-CB 4.49Å; F274-V280 HydrophobicContact CB-CG2 3.62Å; F274-V280 HydrophobicContact CD2-CG2 3.89Å; F274-V280 HydrophobicContact CG-CG2 3.77Å; F274-Y283 HydrophobicContact CE1-CG 4.31Å; F274-Y283 HydrophobicContact CE2-CD1 4.35Å; F274-Y283 HydrophobicContact CE2-CG 4.29Å; F274-Y283 HydrophobicContact CZ-CD1 4.06Å; F274-Y283 AromaticContact CZ-CD2 3.97Å; F274-Y283 HydrophobicContact CZ-CD2 3.97Å; F274-Y283 AromaticContact CZ-CG 3.56Å; F274-Y283 HydrophobicContact CZ-CG 3.56Å
275	K	94.9	Very high	96.3	Very high	188 Å²	188	48.7 Å²	48.7	82%	0.817	24%	0.238	S	C	*	.	S	Bend	trans	-76.2	-24.5	179.7	-65.5	-175.2	179.5	-179.6	0	113.7
276	N	96.3	Very high	96.4	Very high	82 Å²	82	54.6 Å²	54.6	44%	0.439	27%	0.265	S	S	.	.	S	Bend	trans	-151.1	160.1	-176	61.7	62.1	0	0	0	111.1	A278 A279 V280	N276-A278 VanDerWaalsContact C-N 3.3Å; N276-A278 PolarHBondContact O-N 2.89Å; N276-A278 PolarHBondContact OD1-N 3.26Å; N276-A279 PolarHBondContact O-N 2.73Å; N276-A279 PolarHBondContact OD1-N 3.24Å; N276-V280 PolarHBondContact O-N 3.42Å
277	I	98	Very high	96.4	Very high	34 Å²	34	54.3 Å²	54.3	17%	0.174	27%	0.265	C	S	.	.	H	α-helix	trans	-68.8	-28	-175.1	-162.2	66.7	0	0	0	113.2	C179 L182 K183 Y190 A279 V280 A281	C179-I277 HydrophobicContact CB-CD1 3.82Å; C179-I277 HydrophobicContact CB-CG1 3.65Å; L182-I277 HydrophobicContact CB-CD1 4Å; L182-I277 HydrophobicContact CD1-CD1 4.4Å; K183-I277 HydrophobicContact CG-CB 4.45Å; K183-I277 HydrophobicContact CG-CD1 4.4Å; K183-I277 HydrophobicContact CG-CG1 4.07Å; Y190-I277 HydrophobicContact CD1-CD1 4.04Å; Y190-I277 HydrophobicContact CE1-CD1 3.68Å; Y190-I277 HydrophobicContact CE2-CB 3.95Å; Y190-I277 HydrophobicContact CE2-CD1 4.27Å; Y190-I277 HydrophobicContact CG-CD1 4.48Å; I277-A279 VanDerWaalsContact C-N 3.27Å; I277-A279 PolarHBondContact O-N 3.48Å; I277-V280 HydrophobicContact CD1-CB 4.24Å; I277-V280 HydrophobicContact CD1-CG2 4.45Å; I277-V280 WeakPolarHBondContact O-CB 3.45Å; I277-V280 PolarHBondContact O-N 2.9Å; I277-A281 PolarHBondContact O-N 2.91Å
278	A	97.9	Very high	96.6	Very high	57 Å²	57	48.7 Å²	48.7	47%	0.471	24%	0.237	S	C	.	.	H	α-helix	trans	-64.9	-33	176.5	0	0	0	0	0	112	N276 R282	N276-A278 VanDerWaalsContact C-N 3.3Å; N276-A278 PolarHBondContact O-N 2.89Å; N276-A278 PolarHBondContact OD1-N 3.26Å; A278-R282 PolarHBondContact O-N 3.11Å; A278-R282 VanDerWaalsContact O-N 3.16Å
279	A	97.9	Very high	96.6	Very high	21 Å²	21	50.1 Å²	50.1	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-37.3	173.6	0	0	0	0	0	112.3	F274 N276 I277 R282 Y283	F274-A279 HydrophobicContact CB-CB 4.4Å; F274-A279 HydrophobicContact CD1-CB 3.72Å; F274-A279 HydrophobicContact CG-CB 4.49Å; N276-A279 PolarHBondContact O-N 2.73Å; N276-A279 PolarHBondContact OD1-N 3.24Å; I277-A279 VanDerWaalsContact C-N 3.27Å; I277-A279 PolarHBondContact O-N 3.48Å; A279-R282 PolarHBondContact O-N 2.89Å; A279-Y283 PolarHBondContact O-N 3.16Å
280	V	98.4	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-47.2	172.5	177.4	0	0	0	0	110.8	L182 Y190 I192 F274 N276 I277 R282 Y283 Y284	L182-V280 HydrophobicContact CD1-CG1 3.97Å; Y190-V280 HydrophobicContact CD2-CG2 4.15Å; Y190-V280 HydrophobicContact CG-CG2 3.9Å; I192-V280 HydrophobicContact CD1-CG1 3.86Å; I192-V280 HydrophobicContact CD1-CG2 4.27Å; I192-V280 HydrophobicContact CG1-CG1 4.08Å; I192-V280 HydrophobicContact CG1-CG2 4.13Å; F274-V280 HydrophobicContact CB-CG2 3.62Å; F274-V280 HydrophobicContact CD2-CG2 3.89Å; F274-V280 HydrophobicContact CG-CG2 3.77Å; N276-V280 PolarHBondContact O-N 3.42Å; I277-V280 HydrophobicContact CD1-CB 4.24Å; I277-V280 HydrophobicContact CD1-CG2 4.45Å; I277-V280 WeakPolarHBondContact O-CB 3.45Å; I277-V280 PolarHBondContact O-N 2.9Å; V280-R282 VanDerWaalsContact C-N 3.32Å; V280-R282 PolarHBondContact O-N 3.29Å; V280-Y283 WeakPolarHBondContact O-CB 3.45Å; V280-Y283 PolarHBondContact O-N 3.1Å; V280-Y283 VanDerWaalsContact O-N 3.16Å; V280-Y284 HydrophobicContact CG1-CD2 3.69Å; V280-Y284 HydrophobicContact CG1-CE2 3.45Å; V280-Y284 VanDerWaalsContact CG1-CE2 3.45Å; V280-Y284 PolarHBondContact O-N 3.42Å
281	A	98.4	Very high	96.9	Very high	20 Å²	20	47.3 Å²	47.3	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-44.1	178.1	0	0	0	0	0	111.9	I175 I277 Y284 M285	I175-A281 HydrophobicContact CG2-CB 4.1Å; I277-A281 PolarHBondContact O-N 2.91Å; A281-Y284 PolarHBondContact O-N 3.16Å; A281-M285 HydrophobicContact CB-CE 4.05Å; A281-M285 WeakPolarHBondContact O-CE 3.43Å; A281-M285 WeakPolarHBondContact O-CG 3.23Å; A281-M285 PolarHBondContact O-N 3.44Å
282	R	98.2	Very high	96.8	Very high	135 Å²	135	47.4 Å²	47.4	51%	0.509	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-45.7	175	-172.1	-176.9	-59.2	93.2	3.8	112.2	A278 A279 V280 Y284 M285 E286	A278-R282 PolarHBondContact O-N 3.11Å; A278-R282 VanDerWaalsContact O-N 3.16Å; A279-R282 PolarHBondContact O-N 2.89Å; V280-R282 VanDerWaalsContact C-N 3.32Å; V280-R282 PolarHBondContact O-N 3.29Å; R282-Y284 PolarHBondContact O-N 2.94Å; R282-M285 PolarHBondContact O-N 3.35Å; R282-E286 WeakPolarHBondContact CD-OE1 3.26Å; R282-E286 VanDerWaalsContact CG-OE1 3.25Å; R282-E286 WeakPolarHBondContact CG-OE1 3.44Å; R282-E286 WeakPolarHBondContact O-CG 3.32Å; R282-E286 PolarHBondContact O-N 3.07Å
283	Y	98.2	Very high	96.6	Very high	8 Å²	8	49.9 Å²	49.9	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-45.8	177.1	162.8	-98.6	0	0	0	112	I192 H194 L272 F274 A279 V280 M285 E286 N287	I192-Y283 HydrophobicContact CG2-CD1 4.26Å; I192-Y283 HydrophobicContact CG2-CE1 3.75Å; H194-Y283 AromaticContact ND1-CZ 3.89Å; H194-Y283 PolarHBondContact ND1-OH 3.11Å; L272-Y283 HydrophobicContact CD1-CD2 4.06Å; L272-Y283 HydrophobicContact CD1-CE1 4.36Å; L272-Y283 HydrophobicContact CD1-CE2 3.41Å; L272-Y283 VanDerWaalsContact CD1-CE2 3.41Å; F274-Y283 HydrophobicContact CE1-CG 4.31Å; F274-Y283 HydrophobicContact CE2-CD1 4.35Å; F274-Y283 HydrophobicContact CE2-CG 4.29Å; F274-Y283 HydrophobicContact CZ-CD1 4.06Å; F274-Y283 AromaticContact CZ-CD2 3.97Å; F274-Y283 HydrophobicContact CZ-CD2 3.97Å; F274-Y283 AromaticContact CZ-CG 3.56Å; F274-Y283 HydrophobicContact CZ-CG 3.56Å; A279-Y283 PolarHBondContact O-N 3.16Å; V280-Y283 WeakPolarHBondContact O-CB 3.45Å; V280-Y283 PolarHBondContact O-N 3.1Å; V280-Y283 VanDerWaalsContact O-N 3.16Å; Y283-M285 VanDerWaalsContact C-N 3.34Å; Y283-M285 PolarHBondContact O-N 3.19Å; Y283-E286 PolarHBondContact O-N 3.18Å; Y283-N287 VanDerWaalsContact CD2-ND2 3.34Å; Y283-N287 WeakPolarHBondContact CD2-ND2 3.37Å; Y283-N287 HydrophobicContact CE2-CB 4.08Å; Y283-N287 WeakPolarHBondContact CE2-ND2 3.36Å; Y283-N287 WeakPolarHBondContact O-CB 3.34Å; Y283-N287 PolarHBondContact O-N 3.1Å; Y283-N287 PolarHBondContact O-ND2 3.5Å
284	Y	98.1	Very high	96.4	Very high	4 Å²	4	49 Å²	49	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-32.4	177.6	-74.4	-42.7	0	0	0	113.1	L182 I192 V280 A281 R282 N287 Y288 L291	L182-Y284 HydrophobicContact CD1-CE2 4.33Å; I192-Y284 HydrophobicContact CG2-CE1 3.93Å; I192-Y284 WeakPolarHBondContact CG2-OH 3.42Å; V280-Y284 HydrophobicContact CG1-CD2 3.69Å; V280-Y284 HydrophobicContact CG1-CE2 3.45Å; V280-Y284 VanDerWaalsContact CG1-CE2 3.45Å; V280-Y284 PolarHBondContact O-N 3.42Å; A281-Y284 PolarHBondContact O-N 3.16Å; R282-Y284 PolarHBondContact O-N 2.94Å; Y284-N287 CarbonylContact O-C 3.59Å; Y284-Y288 WeakPolarHBondContact O-CA 3.45Å; Y284-Y288 PolarHBondContact O-N 3.23Å; Y284-L291 HydrophobicContact CD1-CD1 3.67Å; Y284-L291 HydrophobicContact CD1-CD2 3.96Å; Y284-L291 HydrophobicContact CD1-CG 3.83Å; Y284-L291 HydrophobicContact CD2-CD1 4.37Å; Y284-L291 HydrophobicContact CE1-CD1 4.24Å; Y284-L291 HydrophobicContact CE1-CD2 3.68Å; Y284-L291 HydrophobicContact CE1-CG 4.09Å; Y284-L291 HydrophobicContact CG-CD1 3.76Å; Y284-L291 HydrophobicContact CG-CG 4.43Å
285	M	97	Very high	96.4	Very high	103 Å²	103	48.9 Å²	48.9	51%	0.507	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-43.4	171.9	-75.7	-178.1	-99.7	0	0	111.5	I175 A281 R282 Y283 N287	I175-M285 HydrophobicContact CD1-CB 4.29Å; I175-M285 HydrophobicContact CD1-CG 3.57Å; A281-M285 HydrophobicContact CB-CE 4.05Å; A281-M285 WeakPolarHBondContact O-CE 3.43Å; A281-M285 WeakPolarHBondContact O-CG 3.23Å; A281-M285 PolarHBondContact O-N 3.44Å; R282-M285 PolarHBondContact O-N 3.35Å; Y283-M285 VanDerWaalsContact C-N 3.34Å; Y283-M285 PolarHBondContact O-N 3.19Å; M285-N287 VanDerWaalsContact C-N 3.33Å
286	E	96.8	Very high	96.5	Very high	123 Å²	123	39.9 Å²	39.9	58%	0.575	21%	0.207	S	C	*	.	H	α-helix	trans	-75.1	-21	-179.8	-69.5	169.1	-172.6	0	0	113.3	R282 Y283	R282-E286 WeakPolarHBondContact CD-OE1 3.26Å; R282-E286 VanDerWaalsContact CG-OE1 3.25Å; R282-E286 WeakPolarHBondContact CG-OE1 3.44Å; R282-E286 WeakPolarHBondContact O-CG 3.32Å; R282-E286 PolarHBondContact O-N 3.07Å; Y283-E286 PolarHBondContact O-N 3.18Å
287	N	96.1	Very high	96.6	Very high	17 Å²	17	36 Å²	36	9%	0.091	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	40.9	-175.2	-57.6	-94.9	0	0	0	111.2	S247 Y283 Y284 M285 D289 Q290	S247-N287 PolarHBondContact OG-OD1 3.38Å; Y283-N287 VanDerWaalsContact CD2-ND2 3.34Å; Y283-N287 WeakPolarHBondContact CD2-ND2 3.37Å; Y283-N287 HydrophobicContact CE2-CB 4.08Å; Y283-N287 WeakPolarHBondContact CE2-ND2 3.36Å; Y283-N287 WeakPolarHBondContact O-CB 3.34Å; Y283-N287 PolarHBondContact O-N 3.1Å; Y283-N287 PolarHBondContact O-ND2 3.5Å; Y284-N287 CarbonylContact O-C 3.59Å; M285-N287 VanDerWaalsContact C-N 3.33Å; N287-D289 PolarHBondContact O-N 2.9Å; N287-D289 VanDerWaalsContact O-N 3.09Å; N287-Q290 HydrophobicContact CB-CG 4.09Å; N287-Q290 WeakPolarHBondContact O-CB 3.39Å; N287-Q290 PolarHBondContact O-N 3.12Å
288	Y	96.1	Very high	96.6	Very high	33 Å²	33	34.4 Å²	34.4	13%	0.129	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-31.5	-174.1	-176.7	-106.8	0	0	0	113.3	Q171 L174 I175 Y284 Q290 L291 A292	Q171-Y288 HydrophobicContact CB-CD2 4.4Å; Q171-Y288 HydrophobicContact CB-CE2 3.81Å; Q171-Y288 HydrophobicContact CG-CE1 3.78Å; Q171-Y288 HydrophobicContact CG-CE2 3.92Å; Q171-Y288 VanDerWaalsContact CG-CZ 3.47Å; L174-Y288 HydrophobicContact CD2-CE2 4.06Å; I175-Y288 HydrophobicContact CD1-CD2 4.26Å; Y284-Y288 WeakPolarHBondContact O-CA 3.45Å; Y284-Y288 PolarHBondContact O-N 3.23Å; Y288-Q290 PolarHBondContact O-N 2.94Å; Y288-Q290 VanDerWaalsContact O-N 3.12Å; Y288-L291 WeakPolarHBondContact O-CA 3.48Å; Y288-L291 WeakPolarHBondContact O-CB 3.05Å; Y288-L291 PolarHBondContact O-N 3.2Å; Y288-A292 HydrophobicContact CD1-CB 3.84Å; Y288-A292 HydrophobicContact CE1-CB 3.45Å; Y288-A292 VanDerWaalsContact CE1-CB 3.45Å; Y288-A292 PolarHBondContact O-N 3.37Å
289	D	94.6	Very high	96.6	Very high	76 Å²	76	31.9 Å²	31.9	41%	0.406	16%	0.157	S	C	.	.	H	α-helix	trans	-57.5	-25.8	175.7	-64.9	-19.9	0	0	0	114	M256 N287 L291 H293	M256-D289 HydrophobicContact CE-CB 3.94Å; N287-D289 PolarHBondContact O-N 2.9Å; N287-D289 VanDerWaalsContact O-N 3.09Å; D289-L291 PolarHBondContact O-N 3.32Å; D289-H293 WeakPolarHBondContact O-CB 3.19Å; D289-H293 PolarHBondContact O-N 3.06Å; D289-H293 IonicContact OD1-CE1 2.7Å; D289-H293 PolarHBondContact OD1-CE1 3.49Å; D289-H293 VanDerWaalsContact OD1-CE1 3.28Å; D289-H293 IonicContact OD1-ND1 2.72Å; D289-H293 IonicContact OD1-NE2 3.89Å
290	Q	95	Very high	96.7	Very high	20 Å²	20	30.9 Å²	30.9	9%	0.093	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-26.5	173.6	-65.5	-68.8	-21.4	0	0	111.9	H194 L195 R197 N287 Y288 G296 L299	H194-Q290 PolarHBondContact CE1-NE2 3.41Å; L195-Q290 PolarHBondContact O-NE2 2.89Å; R197-Q290 VanDerWaalsContact NH1-OE1 3.09Å; N287-Q290 HydrophobicContact CB-CG 4.09Å; N287-Q290 WeakPolarHBondContact O-CB 3.39Å; N287-Q290 PolarHBondContact O-N 3.12Å; Y288-Q290 PolarHBondContact O-N 2.94Å; Y288-Q290 VanDerWaalsContact O-N 3.12Å; Q290-G296 VanDerWaalsContact O-CA 3.24Å; Q290-G296 WeakPolarHBondContact O-CA 3.44Å; Q290-L299 WeakPolarHBondContact O-CD1 3.37Å
291	L	97	Very high	96.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-96.2	-42.7	178.5	-61.6	175.2	0	0	0	112.2	G120 F121 I175 L178 Y284 Y288 D289	G120-L291 WeakPolarHBondContact CA-O 3.39Å; F121-L291 HydrophobicContact CD2-CB 4.3Å; F121-L291 PolarHBondContact N-O 3.02Å; I175-L291 HydrophobicContact CG1-CD1 4.29Å; L178-L291 HydrophobicContact CD1-CD1 3.49Å; L178-L291 VanDerWaalsContact CD1-CD1 3.49Å; L178-L291 HydrophobicContact CD1-CD2 3.65Å; L178-L291 HydrophobicContact CD1-CG 4.15Å; Y284-L291 HydrophobicContact CD1-CD1 3.67Å; Y284-L291 HydrophobicContact CD1-CD2 3.96Å; Y284-L291 HydrophobicContact CD1-CG 3.83Å; Y284-L291 HydrophobicContact CD2-CD1 4.37Å; Y284-L291 HydrophobicContact CE1-CD1 4.24Å; Y284-L291 HydrophobicContact CE1-CD2 3.68Å; Y284-L291 HydrophobicContact CE1-CG 4.09Å; Y284-L291 HydrophobicContact CG-CD1 3.76Å; Y284-L291 HydrophobicContact CG-CG 4.43Å; Y288-L291 WeakPolarHBondContact O-CA 3.48Å; Y288-L291 WeakPolarHBondContact O-CB 3.05Å; Y288-L291 PolarHBondContact O-N 3.2Å; D289-L291 PolarHBondContact O-N 3.32Å
292	A	94.5	Very high	96.7	Very high	12 Å²	12	29.9 Å²	29.9	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-74.5	-32.1	-171.2	0	0	0	0	0	113.5	Y288	Y288-A292 HydrophobicContact CD1-CB 3.84Å; Y288-A292 HydrophobicContact CE1-CB 3.45Å; Y288-A292 VanDerWaalsContact CE1-CB 3.45Å; Y288-A292 PolarHBondContact O-N 3.37Å
293	H	90.7	Very high	96.7	Very high	52 Å²	52	23.5 Å²	23.5	24%	0.241	12%	0.116	C	C	.	.	S	Bend	trans	-96.7	-179	-172.8	-60	158.2	0	0	0	112.7	G120 M256 D289 Y295 G296	G120-H293 WeakPolarHBondContact CA-O 3.09Å; G120-H293 PolarHBondContact N-O 3.34Å; M256-H293 WeakPolarHBondContact CE-ND1 3.11Å; D289-H293 WeakPolarHBondContact O-CB 3.19Å; D289-H293 PolarHBondContact O-N 3.06Å; D289-H293 IonicContact OD1-CE1 2.7Å; D289-H293 PolarHBondContact OD1-CE1 3.49Å; D289-H293 VanDerWaalsContact OD1-CE1 3.28Å; D289-H293 IonicContact OD1-ND1 2.72Å; D289-H293 IonicContact OD1-NE2 3.89Å; H293-Y295 PolarHBondContact O-N 3.2Å; H293-G296 PolarHBondContact O-N 3.41Å
294	T	93.2	Very high	96.7	Very high	30 Å²	30	23.1 Å²	23.1	18%	0.184	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43	132.6	176.6	-45.8	0	0	0	0	110.7	S118 R197	S118-T294 CarbonylContact O-C 3.53Å; S118-T294 WeakPolarHBondContact O-CA 3.47Å; S118-T294 WeakPolarHBondContact O-CG2 3.32Å; R197-T294 PolarHBondContact NH2-O 2.76Å; R197-T294 VanDerWaalsContact NH2-O 3.12Å
295	Y	96.8	Very high	96.7	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.035	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-1.5	-177.4	-45	-68.8	0	0	0	117.2	F114 S118 L195 L260 F265 H293 V297 L298 L299	F114-Y295 AromaticContact CE1-CE1 3.9Å; F114-Y295 HydrophobicContact CE1-CE1 3.9Å; F114-Y295 HydrophobicContact CZ-CD1 4.43Å; F114-Y295 HydrophobicContact CZ-CE1 4.1Å; S118-Y295 VanDerWaalsContact CB-CE1 3.46Å; S118-Y295 PolarHBondContact O-N 2.85Å; S118-Y295 VanDerWaalsContact OG-CE1 3.27Å; S118-Y295 WeakPolarHBondContact OG-CE1 3.46Å; L195-Y295 HydrophobicContact CD2-CD2 3.56Å; L195-Y295 HydrophobicContact CD2-CE2 4.27Å; L195-Y295 HydrophobicContact CD2-CG 4.26Å; L260-Y295 HydrophobicContact CB-CE2 4.46Å; L260-Y295 WeakPolarHBondContact CB-OH 3.37Å; L260-Y295 HydrophobicContact CD1-CE2 4.03Å; L260-Y295 HydrophobicContact CG-CE2 4.07Å; L260-Y295 PolarHBondContact N-OH 3.41Å; L260-Y295 PolarHBondContact O-OH 2.84Å; F265-Y295 AromaticContact CD2-CD1 3.76Å; F265-Y295 HydrophobicContact CD2-CD1 3.76Å; F265-Y295 HydrophobicContact CD2-CD2 4.27Å; F265-Y295 HydrophobicContact CD2-CE1 4.17Å; F265-Y295 AromaticContact CD2-CG 3.81Å; F265-Y295 HydrophobicContact CD2-CG 3.81Å; F265-Y295 AromaticContact CE2-CD1 3.88Å; F265-Y295 HydrophobicContact CE2-CD1 3.88Å; F265-Y295 HydrophobicContact CE2-CD2 4.47Å; F265-Y295 AromaticContact CE2-CG 3.73Å; F265-Y295 HydrophobicContact CE2-CG 3.73Å; H293-Y295 PolarHBondContact O-N 3.2Å; Y295-V297 VanDerWaalsContact C-N 3.27Å; Y295-V297 PolarHBondContact O-N 3.03Å; Y295-L298 HydrophobicContact CD1-CD1 4.13Å; Y295-L298 PolarHBondContact O-N 3.33Å; Y295-L299 WeakPolarHBondContact O-CG 3.38Å; Y295-L299 PolarHBondContact O-N 3.29Å
296	G	97.7	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-55.9	-37.8	-178.2	0	0	0	0	0	114.7	Q119 F121 Q290 H293 F300	Q119-G296 PolarHBondContact O-N 2.93Å; F121-G296 WeakPolarHBondContact CE2-O 3.02Å; Q290-G296 VanDerWaalsContact O-CA 3.24Å; Q290-G296 WeakPolarHBondContact O-CA 3.44Å; H293-G296 PolarHBondContact O-N 3.41Å; G296-F300 WeakPolarHBondContact O-CB 3.39Å; G296-F300 PolarHBondContact O-N 2.7Å
297	V	98.2	Very high	96.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.5	-46.1	174.5	172.4	0	0	0	0	111.4	Q119 F121 P138 V141 I142 Y295 M301	Q119-V297 HydrophobicContact CG-CG2 4.06Å; Q119-V297 WeakPolarHBondContact O-CB 3.49Å; Q119-V297 WeakPolarHBondContact O-CG2 3.28Å; Q119-V297 PolarHBondContact O-N 2.91Å; Q119-V297 VanDerWaalsContact O-N 3.1Å; F121-V297 HydrophobicContact CD1-CG2 4.21Å; F121-V297 HydrophobicContact CE1-CG2 3.96Å; F121-V297 HydrophobicContact CE2-CG2 4.34Å; F121-V297 HydrophobicContact CZ-CB 4.5Å; F121-V297 HydrophobicContact CZ-CG2 4.03Å; P138-V297 HydrophobicContact CB-CG1 3.98Å; V141-V297 HydrophobicContact CB-CG1 3.87Å; V141-V297 HydrophobicContact CG1-CG1 3.81Å; V141-V297 HydrophobicContact CG2-CG1 4.34Å; I142-V297 HydrophobicContact CD1-CG2 4.32Å; I142-V297 HydrophobicContact CG1-CG2 4.07Å; Y295-V297 VanDerWaalsContact C-N 3.27Å; Y295-V297 PolarHBondContact O-N 3.03Å; V297-M301 WeakPolarHBondContact O-CB 3.21Å; V297-M301 PolarHBondContact O-N 3.03Å
298	L	98	Very high	96.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.5	-47	177.6	-70.6	-179.8	0	0	0	111.6	W105 F114 W117 F265 Y295 F300 M301 Y302	W105-L298 HydrophobicContact CH2-CD2 4.43Å; W105-L298 HydrophobicContact CZ2-CD2 3.86Å; F114-L298 HydrophobicContact CD2-CD1 4.24Å; F114-L298 HydrophobicContact CE2-CD1 3.57Å; F114-L298 HydrophobicContact CZ-CD1 3.85Å; W117-L298 HydrophobicContact CB-CD2 3.72Å; W117-L298 HydrophobicContact CB-CG 4.21Å; W117-L298 HydrophobicContact CE3-CD2 4.28Å; F265-L298 HydrophobicContact CE1-CB 4.38Å; F265-L298 HydrophobicContact CE1-CD1 4.11Å; F265-L298 HydrophobicContact CZ-CB 3.81Å; F265-L298 HydrophobicContact CZ-CD1 4.06Å; Y295-L298 HydrophobicContact CD1-CD1 4.13Å; Y295-L298 PolarHBondContact O-N 3.33Å; L298-F300 VanDerWaalsContact C-N 3.28Å; L298-F300 PolarHBondContact O-N 2.9Å; L298-M301 HydrophobicContact CD2-CE 3.62Å; L298-M301 WeakPolarHBondContact O-CB 3.34Å; L298-M301 PolarHBondContact O-N 2.95Å; L298-M301 VanDerWaalsContact O-N 3.15Å; L298-Y302 WeakPolarHBondContact O-CD2 3.34Å; L298-Y302 PolarHBondContact O-N 2.88Å
299	L	98.3	Very high	96.8	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-58.8	-42.8	-179.6	-67	171.6	0	0	0	111.3	V193 L195 F265 L269 Q290 Y295 S303	V193-L299 HydrophobicContact CB-CD2 4.49Å; V193-L299 HydrophobicContact CG1-CD2 3.78Å; L195-L299 HydrophobicContact CB-CD1 3.91Å; L195-L299 HydrophobicContact CB-CD2 3.92Å; F265-L299 HydrophobicContact CE2-CD2 4.13Å; F265-L299 HydrophobicContact CZ-CD2 4.19Å; L269-L299 HydrophobicContact CD2-CD2 3.67Å; Q290-L299 WeakPolarHBondContact O-CD1 3.37Å; Y295-L299 WeakPolarHBondContact O-CG 3.38Å; Y295-L299 PolarHBondContact O-N 3.29Å; L299-S303 WeakPolarHBondContact O-CB 3.49Å; L299-S303 PolarHBondContact O-N 2.81Å; L299-S303 PolarHBondContact O-OG 3.32Å
300	F	98.7	Very high	96.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.3	-45.5	175.2	-177.1	-114.7	0	0	0	112.4	F121 V141 V145 L178 I181 L182 G296 L298 Y302 S303 V304 M340	F121-F300 HydrophobicContact CE2-CB 3.86Å; F121-F300 HydrophobicContact CE2-CG 4.38Å; F121-F300 HydrophobicContact CZ-CB 4.15Å; F121-F300 HydrophobicContact CZ-CD1 4.1Å; F121-F300 HydrophobicContact CZ-CG 4.39Å; V141-F300 HydrophobicContact CG1-CD1 4.22Å; V145-F300 HydrophobicContact CG2-CD1 4.38Å; V145-F300 HydrophobicContact CG2-CE1 4.05Å; L178-F300 HydrophobicContact CB-CD2 4.16Å; L178-F300 HydrophobicContact CB-CE2 3.56Å; L178-F300 HydrophobicContact CB-CZ 3.79Å; L178-F300 HydrophobicContact CD1-CD2 4.32Å; L178-F300 HydrophobicContact CD2-CD1 3.49Å; L178-F300 VanDerWaalsContact CD2-CD1 3.49Å; L178-F300 HydrophobicContact CD2-CD2 3.8Å; L178-F300 HydrophobicContact CD2-CE1 3.36Å; L178-F300 HydrophobicContact CD2-CE2 3.72Å; L178-F300 HydrophobicContact CD2-CG 3.7Å; L178-F300 HydrophobicContact CD2-CZ 3.49Å; L178-F300 VanDerWaalsContact CD2-CZ 3.49Å; L178-F300 HydrophobicContact CG-CD2 4.29Å; L178-F300 HydrophobicContact CG-CE1 4.49Å; L178-F300 HydrophobicContact CG-CE2 4.1Å; L178-F300 HydrophobicContact CG-CZ 4.2Å; L178-F300 WeakPolarHBondContact O-CZ 3.25Å; I181-F300 HydrophobicContact CB-CE1 4.43Å; I181-F300 HydrophobicContact CB-CZ 3.97Å; I181-F300 HydrophobicContact CD1-CE1 4.08Å; I181-F300 HydrophobicContact CD1-CZ 4.31Å; I181-F300 HydrophobicContact CG2-CE1 4.11Å; I181-F300 HydrophobicContact CG2-CZ 3.88Å; L182-F300 HydrophobicContact CD1-CE2 4.02Å; L182-F300 HydrophobicContact CD2-CE2 4.37Å; L182-F300 HydrophobicContact CG-CE2 3.9Å; L182-F300 HydrophobicContact CG-CZ 4.38Å; G296-F300 WeakPolarHBondContact O-CB 3.39Å; G296-F300 PolarHBondContact O-N 2.7Å; L298-F300 VanDerWaalsContact C-N 3.28Å; L298-F300 PolarHBondContact O-N 2.9Å; F300-Y302 PolarHBondContact O-N 3.28Å; F300-S303 WeakPolarHBondContact O-CA 3.27Å; F300-S303 VanDerWaalsContact O-CB 3.3Å; F300-S303 WeakPolarHBondContact O-CB 3.42Å; F300-S303 PolarHBondContact O-N 3.19Å; F300-S303 VanDerWaalsContact O-N 3.1Å; F300-V304 HydrophobicContact CD1-CG2 4.37Å; F300-V304 HydrophobicContact CE1-CG2 3.91Å; F300-V304 HydrophobicContact CE2-CG2 4.11Å; F300-V304 HydrophobicContact CZ-CG2 3.75Å; F300-V304 WeakPolarHBondContact O-CG2 3.49Å; F300-V304 PolarHBondContact O-N 2.84Å; F300-M340 HydrophobicContact CD1-CE 3.93Å; F300-M340 HydrophobicContact CE1-CE 3.51Å
301	M	98.4	Very high	96.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-55	-51.8	177	-176.6	180	64	0	0	111	L104 W117 V141 V297 L298 S303 V304 F305 I325 L336	L104-M301 HydrophobicContact CD1-CE 3.6Å; L104-M301 HydrophobicContact CD1-SD 4.46Å; L104-M301 HydrophobicContact CD2-CE 4.12Å; L104-M301 HydrophobicContact CD2-SD 4.03Å; L104-M301 HydrophobicContact CG-CE 4.48Å; W117-M301 HydrophobicContact CE3-CE 4.4Å; W117-M301 HydrophobicContact CE3-SD 4.18Å; W117-M301 HydrophobicContact CH2-SD 4.48Å; W117-M301 HydrophobicContact CZ3-CE 4.43Å; W117-M301 HydrophobicContact CZ3-SD 3.66Å; V141-M301 HydrophobicContact CG2-CB 4.09Å; V141-M301 HydrophobicContact CG2-CG 4.13Å; V141-M301 HydrophobicContact CG2-SD 4.12Å; V297-M301 WeakPolarHBondContact O-CB 3.21Å; V297-M301 PolarHBondContact O-N 3.03Å; L298-M301 HydrophobicContact CD2-CE 3.62Å; L298-M301 WeakPolarHBondContact O-CB 3.34Å; L298-M301 PolarHBondContact O-N 2.95Å; L298-M301 VanDerWaalsContact O-N 3.15Å; M301-S303 VanDerWaalsContact C-N 3.27Å; M301-S303 PolarHBondContact O-N 3.2Å; M301-V304 WeakPolarHBondContact O-CB 3.47Å; M301-V304 PolarHBondContact O-N 3.27Å; M301-F305 HydrophobicContact CG-CD2 4.08Å; M301-F305 HydrophobicContact CG-CE2 3.83Å; M301-F305 WeakPolarHBondContact O-CD2 3.35Å; M301-F305 PolarHBondContact O-N 2.93Å; M301-F305 VanDerWaalsContact O-N 3.11Å; M301-F305 HydrophobicContact SD-CE2 4.49Å; M301-I325 HydrophobicContact CE-CD1 4.22Å; M301-L336 HydrophobicContact CG-CD1 4.17Å; M301-L336 HydrophobicContact SD-CD1 4.14Å; M301-L336 HydrophobicContact SD-CD2 3.94Å
302	Y	98.3	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-35.1	178.5	-80.3	-117.5	0	0	0	112.1	L97 I100 L104 W105 H266 L269 L298 F300 V304 F305 L306	L97-Y302 HydrophobicContact CD2-CD1 3.74Å; I100-Y302 HydrophobicContact CG2-CD1 3.74Å; I100-Y302 HydrophobicContact CG2-CE1 3.77Å; I100-Y302 HydrophobicContact CG2-CG 4.28Å; L104-Y302 HydrophobicContact CD1-CD2 4.05Å; L104-Y302 HydrophobicContact CD1-CE1 4.34Å; L104-Y302 HydrophobicContact CD1-CE2 3.47Å; L104-Y302 VanDerWaalsContact CD1-CE2 3.47Å; W105-Y302 PolarHBondContact NE1-OH 3.41Å; H266-Y302 AromaticContact NE2-CE1 3.87Å; H266-Y302 AromaticContact NE2-CZ 3.54Å; H266-Y302 PolarHBondContact NE2-OH 3.1Å; L269-Y302 HydrophobicContact CD1-CD1 4.17Å; L269-Y302 HydrophobicContact CD1-CE1 4.29Å; L298-Y302 WeakPolarHBondContact O-CD2 3.34Å; L298-Y302 PolarHBondContact O-N 2.88Å; F300-Y302 PolarHBondContact O-N 3.28Å; Y302-V304 VanDerWaalsContact C-N 3.3Å; Y302-V304 PolarHBondContact O-N 3.24Å; Y302-F305 PolarHBondContact O-N 3.47Å; Y302-L306 PolarHBondContact O-N 2.9Å
303	S	98.5	Very high	96.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.8	-36.5	173.6	-57.5	0	0	0	0	112.5	V193 L299 F300 M301 T307	V193-S303 PolarHBondContact N-OG 3.13Å; L299-S303 WeakPolarHBondContact O-CB 3.49Å; L299-S303 PolarHBondContact O-N 2.81Å; L299-S303 PolarHBondContact O-OG 3.32Å; F300-S303 WeakPolarHBondContact O-CA 3.27Å; F300-S303 VanDerWaalsContact O-CB 3.3Å; F300-S303 WeakPolarHBondContact O-CB 3.42Å; F300-S303 PolarHBondContact O-N 3.19Å; F300-S303 VanDerWaalsContact O-N 3.1Å; M301-S303 VanDerWaalsContact C-N 3.27Å; M301-S303 PolarHBondContact O-N 3.2Å; S303-T307 WeakPolarHBondContact O-CB 3.47Å; S303-T307 PolarHBondContact O-N 2.95Å; S303-T307 PolarHBondContact O-OG1 2.8Å
304	V	98.7	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.4	-46.9	175.1	174.2	0	0	0	0	110.6	I181 L182 F300 M301 Y302 T307 K308 L339 M340	I181-V304 HydrophobicContact CG2-CG2 3.98Å; L182-V304 HydrophobicContact CD2-CG2 4.03Å; F300-V304 HydrophobicContact CD1-CG2 4.37Å; F300-V304 HydrophobicContact CE1-CG2 3.91Å; F300-V304 HydrophobicContact CE2-CG2 4.11Å; F300-V304 HydrophobicContact CZ-CG2 3.75Å; F300-V304 WeakPolarHBondContact O-CG2 3.49Å; F300-V304 PolarHBondContact O-N 2.84Å; M301-V304 WeakPolarHBondContact O-CB 3.47Å; M301-V304 PolarHBondContact O-N 3.27Å; Y302-V304 VanDerWaalsContact C-N 3.3Å; Y302-V304 PolarHBondContact O-N 3.24Å; V304-T307 PolarHBondContact O-N 2.78Å; V304-K308 WeakPolarHBondContact O-CB 3.21Å; V304-K308 PolarHBondContact O-N 2.87Å; V304-L339 HydrophobicContact CG1-CD1 4.28Å; V304-L339 HydrophobicContact CG1-CD2 4.07Å; V304-L339 HydrophobicContact CG1-CG 3.86Å; V304-M340 HydrophobicContact CB-SD 4.28Å; V304-M340 HydrophobicContact CG1-SD 4.09Å; V304-M340 HydrophobicContact CG2-CE 4.44Å; V304-M340 HydrophobicContact CG2-SD 4.07Å
305	F	98.1	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-49.1	176.6	-82.5	-93	0	0	0	112.3	I100 L103 L104 M301 Y302 K308 G309 V313 L324 L336 L339	I100-F305 HydrophobicContact CD1-CB 3.7Å; I100-F305 HydrophobicContact CG1-CB 3.98Å; I100-F305 HydrophobicContact CG2-CB 4.07Å; I100-F305 HydrophobicContact CG2-CG 4.18Å; L103-F305 HydrophobicContact CD2-CD1 4.46Å; L103-F305 HydrophobicContact CD2-CE1 4.05Å; L104-F305 HydrophobicContact CD1-CE2 4.49Å; L104-F305 HydrophobicContact CD2-CE1 4.37Å; L104-F305 HydrophobicContact CD2-CE2 3.66Å; L104-F305 HydrophobicContact CD2-CZ 3.57Å; L104-F305 HydrophobicContact CG-CE2 4.4Å; L104-F305 HydrophobicContact CG-CZ 4.34Å; M301-F305 HydrophobicContact CG-CD2 4.08Å; M301-F305 HydrophobicContact CG-CE2 3.83Å; M301-F305 WeakPolarHBondContact O-CD2 3.35Å; M301-F305 PolarHBondContact O-N 2.93Å; M301-F305 VanDerWaalsContact O-N 3.11Å; M301-F305 HydrophobicContact SD-CE2 4.49Å; Y302-F305 PolarHBondContact O-N 3.47Å; F305-K308 PolarHBondContact O-N 3.12Å; F305-G309 PolarHBondContact O-N 2.78Å; F305-V313 HydrophobicContact CD1-CG1 4.02Å; F305-V313 HydrophobicContact CD1-CG2 4.23Å; F305-V313 HydrophobicContact CE1-CG1 3.81Å; F305-L324 HydrophobicContact CE1-CD1 3.68Å; F305-L324 HydrophobicContact CZ-CD1 3.59Å; F305-L336 HydrophobicContact CE2-CD1 3.61Å; F305-L336 HydrophobicContact CZ-CD1 3.87Å; F305-L339 HydrophobicContact CD1-CD2 4.14Å; F305-L339 HydrophobicContact CD2-CD2 4.17Å; F305-L339 HydrophobicContact CE1-CD2 3.95Å; F305-L339 HydrophobicContact CE2-CD2 3.95Å; F305-L339 HydrophobicContact CG-CD2 4.24Å; F305-L339 HydrophobicContact CZ-CD2 3.83Å
306	L	97.3	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-43.2	176.4	-75.7	-178.7	0	0	0	111.3	E96 L97 I100 R191 V193 T271 Y302 K308 G309	E96-L306 HydrophobicContact CB-CD2 3.83Å; L97-L306 HydrophobicContact CD2-CD1 3.79Å; L97-L306 HydrophobicContact CD2-CG 4.25Å; L97-L306 HydrophobicContact CG-CD1 4.13Å; L97-L306 HydrophobicContact CG-CD2 4.48Å; I100-L306 HydrophobicContact CD1-CD2 3.49Å; I100-L306 VanDerWaalsContact CD1-CD2 3.49Å; I100-L306 HydrophobicContact CD1-CG 3.71Å; R191-L306 HydrophobicContact CB-CB 3.76Å; R191-L306 HydrophobicContact CB-CD1 4.47Å; R191-L306 PolarHBondContact NE-O 3.07Å; R191-L306 PolarHBondContact NH2-O 3.11Å; V193-L306 HydrophobicContact CG2-CD1 3.5Å; V193-L306 HydrophobicContact CG2-CG 4.45Å; T271-L306 HydrophobicContact CG2-CD1 3.84Å; T271-L306 WeakPolarHBondContact OG1-CD1 3.35Å; Y302-L306 PolarHBondContact O-N 2.9Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.41Å; L306-G309 PolarHBondContact O-N 3.1Å
307	T	97.8	Very high	96.3	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-41.3	179	-65.8	0	0	0	0	111.2	L182 C185 A187 Y190 R191 S303 V304	L182-T307 HydrophobicContact CD2-CG2 4.22Å; C185-T307 HydrophobicContact CB-CG2 3.8Å; A187-T307 HydrophobicContact CB-CG2 3.81Å; A187-T307 WeakPolarHBondContact CB-O 3.44Å; Y190-T307 HydrophobicContact CD1-CG2 3.66Å; Y190-T307 HydrophobicContact CE1-CG2 4.25Å; Y190-T307 HydrophobicContact CG-CG2 4.47Å; R191-T307 PolarHBondContact N-OG1 2.94Å; R191-T307 VanDerWaalsContact N-OG1 3.08Å; R191-T307 PolarHBondContact O-OG1 2.77Å; S303-T307 WeakPolarHBondContact O-CB 3.47Å; S303-T307 PolarHBondContact O-N 2.95Å; S303-T307 PolarHBondContact O-OG1 2.8Å; V304-T307 PolarHBondContact O-N 2.78Å
308	K	97.4	Very high	95.4	Very high	25 Å²	25	26.4 Å²	26.4	11%	0.109	16%	0.156	C	C	.	.	H	α-helix	trans	-66.2	-39	176.1	179.8	61.6	-178.5	-170.4	0	112.9	C185 V304 F305 L306 V313 L339 G343	C185-K308 HydrophobicContact CB-CB 4.34Å; C185-K308 HydrophobicContact CB-CD 4.44Å; V304-K308 WeakPolarHBondContact O-CB 3.21Å; V304-K308 PolarHBondContact O-N 2.87Å; F305-K308 PolarHBondContact O-N 3.12Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.41Å; K308-V313 HydrophobicContact CB-CG2 4.04Å; K308-V313 HydrophobicContact CG-CG2 3.53Å; K308-L339 HydrophobicContact CB-CD1 4.24Å; K308-L339 HydrophobicContact CD-CD1 4.47Å; K308-L339 HydrophobicContact CG-CD1 4Å; K308-G343 WeakPolarHBondContact CD-O 3.43Å; K308-G343 WeakPolarHBondContact CE-O 3.09Å; K308-G343 PolarHBondContact NZ-O 2.71Å
309	G	95.9	Very high	94.8	Very high	14 Å²	14	31.4 Å²	31.4	14%	0.144	18%	0.183	C	C	.	.			trans	89.8	128.3	-173.7	0	0	0	0	0	111.9	F305 L306 E311 L312 V313	F305-G309 PolarHBondContact O-N 2.78Å; L306-G309 PolarHBondContact O-N 3.1Å; G309-E311 VanDerWaalsContact C-N 3.34Å; G309-E311 PolarHBondContact O-N 2.7Å; G309-L312 PolarHBondContact O-N 2.85Å; G309-V313 WeakPolarHBondContact O-CG2 3.4Å; G309-V313 PolarHBondContact O-N 3.31Å; G309-V313 VanDerWaalsContact O-N 3.16Å
310	L	93.3	Very high	94.3	Very high	24 Å²	24	34.8 Å²	34.8	13%	0.126	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-35.6	-170.6	-171.9	66.3	0	0	0	113.3	E99 I100 L103 L312 V313 A314	E99-L310 HydrophobicContact CB-CD2 3.24Å; E99-L310 HydrophobicContact CG-CD2 4.25Å; E99-L310 WeakPolarHBondContact OE2-CD2 3.41Å; I100-L310 HydrophobicContact CG1-CD1 4.07Å; L103-L310 HydrophobicContact CD2-CD1 3.55Å; L310-L312 VanDerWaalsContact C-N 3.29Å; L310-L312 PolarHBondContact O-N 2.77Å; L310-V313 PolarHBondContact O-N 2.81Å; L310-V313 VanDerWaalsContact O-N 3.15Å; L310-A314 WeakPolarHBondContact O-CB 3.4Å; L310-A314 PolarHBondContact O-N 3.32Å
311	E	93.5	Very high	93.7	Very high	176 Å²	176	38.6 Å²	38.6	82%	0.822	23%	0.231	S	C	*	.	H	α-helix	trans	-57.5	-43	176.8	-64.8	178.5	176.7	0	0	111.8	G309 A315	G309-E311 VanDerWaalsContact C-N 3.34Å; G309-E311 PolarHBondContact O-N 2.7Å; E311-A315 VanDerWaalsContact O-CB 3.23Å; E311-A315 WeakPolarHBondContact O-CB 3.5Å; E311-A315 PolarHBondContact O-N 2.93Å
312	L	95.2	Very high	93.3	Very high	99 Å²	99	45.6 Å²	45.6	52%	0.518	26%	0.263	S	S	.	.	H	α-helix	trans	-71.9	-35.6	177.8	-65.2	179.6	0	0	0	111.9	G309 L310 D316	G309-L312 PolarHBondContact O-N 2.85Å; L310-L312 VanDerWaalsContact C-N 3.29Å; L310-L312 PolarHBondContact O-N 2.77Å; L312-D316 PolarHBondContact O-N 3.1Å; L312-D316 VanDerWaalsContact O-N 3.11Å
313	V	95.9	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-51	174.9	171.7	0	0	0	0	110.4	L103 F305 K308 G309 L310 A315 D316 I317 L339 A345	L103-V313 HydrophobicContact CD2-CG1 3.72Å; F305-V313 HydrophobicContact CD1-CG1 4.02Å; F305-V313 HydrophobicContact CD1-CG2 4.23Å; F305-V313 HydrophobicContact CE1-CG1 3.81Å; K308-V313 HydrophobicContact CB-CG2 4.04Å; K308-V313 HydrophobicContact CG-CG2 3.53Å; G309-V313 WeakPolarHBondContact O-CG2 3.4Å; G309-V313 PolarHBondContact O-N 3.31Å; G309-V313 VanDerWaalsContact O-N 3.16Å; L310-V313 PolarHBondContact O-N 2.81Å; L310-V313 VanDerWaalsContact O-N 3.15Å; V313-A315 VanDerWaalsContact C-N 3.31Å; V313-A315 PolarHBondContact O-N 3.48Å; V313-D316 PolarHBondContact O-N 3.43Å; V313-D316 VanDerWaalsContact O-N 3.11Å; V313-I317 HydrophobicContact CG1-CD1 3.66Å; V313-I317 HydrophobicContact CG1-CG1 4.48Å; V313-I317 WeakPolarHBondContact O-CG1 3.36Å; V313-I317 PolarHBondContact O-N 3.05Å; V313-L339 HydrophobicContact CG2-CD2 4.43Å; V313-A345 HydrophobicContact CB-CB 4.39Å; V313-A345 HydrophobicContact CG1-CB 3.84Å; V313-A345 HydrophobicContact CG2-CB 4.5Å
314	A	93.3	Very high	93	Very high	37 Å²	37	47.3 Å²	47.3	31%	0.306	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-40.5	178.7	0	0	0	0	0	111.8	L310 D316 I317 S318 T320	L310-A314 WeakPolarHBondContact O-CB 3.4Å; L310-A314 PolarHBondContact O-N 3.32Å; A314-D316 VanDerWaalsContact C-N 3.28Å; A314-D316 PolarHBondContact O-N 3.37Å; A314-I317 PolarHBondContact O-N 2.96Å; A314-S318 PolarHBondContact O-N 2.95Å; A314-S318 VanDerWaalsContact O-N 3.13Å; A314-T320 HydrophobicContact CB-CG2 4.31Å
315	A	92.9	Very high	92.9	Very high	51 Å²	51	47.3 Å²	47.3	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-66.6	-25	176.2	0	0	0	0	0	114	E311 V313 R362	E311-A315 VanDerWaalsContact O-CB 3.23Å; E311-A315 WeakPolarHBondContact O-CB 3.5Å; E311-A315 PolarHBondContact O-N 2.93Å; V313-A315 VanDerWaalsContact C-N 3.31Å; V313-A315 PolarHBondContact O-N 3.48Å; A315-R362 PolarHBondContact O-NH1 3.32Å
316	D	93.5	Very high	92.6	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-80.6	-40.7	174.6	-83.2	-16.4	0	0	0	111.6	L312 V313 A314 S318 R344 A345 V346 R362	L312-D316 PolarHBondContact O-N 3.1Å; L312-D316 VanDerWaalsContact O-N 3.11Å; V313-D316 PolarHBondContact O-N 3.43Å; V313-D316 VanDerWaalsContact O-N 3.11Å; A314-D316 VanDerWaalsContact C-N 3.28Å; A314-D316 PolarHBondContact O-N 3.37Å; D316-S318 VanDerWaalsContact C-N 3.34Å; D316-R344 IonicContact OD1-CZ 2.67Å; D316-R344 IonicContact OD1-NE 3.91Å; D316-R344 PolarHBondContact OD1-NE 2.96Å; D316-R344 IonicContact OD1-NH2 2.7Å; D316-R344 PolarHBondContact OD1-NH2 2.9Å; D316-R344 WeakPolarHBondContact OD2-CA 3.48Å; D316-R344 IonicContact OD2-CZ 3.28Å; D316-R344 IonicContact OD2-NE 2.78Å; D316-R344 PolarHBondContact OD2-NE 2.99Å; D316-R344 IonicContact OD2-NH2 3.68Å; D316-A345 HydrophobicContact CB-CB 4.06Å; D316-A345 PolarHBondContact OD2-N 3.46Å; D316-A345 VanDerWaalsContact OD2-N 3.1Å; D316-V346 HydrophobicContact CB-CG1 4.06Å; D316-R362 IonicContact OD1-NH1 3.36Å
317	I	90.7	Very high	92.3	Very high	18 Å²	18	52.3 Å²	52.3	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-69.4	-33.1	-178	-63.3	164.8	0	0	0	111.5	L103 V313 A314 D319 T320 L324 A345	L103-I317 HydrophobicContact CD1-CD1 4.13Å; L103-I317 HydrophobicContact CD2-CD1 4.06Å; V313-I317 HydrophobicContact CG1-CD1 3.66Å; V313-I317 HydrophobicContact CG1-CG1 4.48Å; V313-I317 WeakPolarHBondContact O-CG1 3.36Å; V313-I317 PolarHBondContact O-N 3.05Å; A314-I317 PolarHBondContact O-N 2.96Å; I317-D319 WeakPolarHBondContact CG2-O 3.41Å; I317-D319 PolarHBondContact O-N 3.33Å; I317-T320 HydrophobicContact CB-CG2 4.39Å; I317-T320 HydrophobicContact CG2-CG2 4.27Å; I317-L324 HydrophobicContact CD1-CD1 3.92Å; I317-L324 HydrophobicContact CD1-CD2 3.98Å; I317-L324 HydrophobicContact CD1-CG 4.35Å; I317-A345 HydrophobicContact CD1-CB 4.44Å; I317-A345 HydrophobicContact CG1-CB 4.06Å; I317-A345 WeakPolarHBondContact CG1-O 3.49Å; I317-A345 PolarHBondContact N-O 3.2Å
318	S	80	Confident	91.9	Very high	90 Å²	90	55.6 Å²	55.6	63%	0.629	32%	0.323	S	S	*	.	S	Bend	trans	68.1	-48.5	-175.7	-48.3	0	0	0	0	114.8	A314 D316	A314-S318 PolarHBondContact O-N 2.95Å; A314-S318 VanDerWaalsContact O-N 3.13Å; D316-S318 VanDerWaalsContact C-N 3.34Å
319	D	85.3	Confident	91.5	Very high	105 Å²	105	58.6 Å²	58.6	56%	0.561	34%	0.335	S	S	*	.			trans	-116.4	107.9	175.9	-177.9	6.7	0	0	0	111.5	I317 S321	I317-D319 WeakPolarHBondContact CG2-O 3.41Å; I317-D319 PolarHBondContact O-N 3.33Å; D319-S321 VanDerWaalsContact CG-OG 3.23Å; D319-S321 WeakPolarHBondContact OD1-CB 3.46Å; D319-S321 PolarHBondContact OD1-N 3.45Å; D319-S321 PolarHBondContact OD1-OG 3.49Å; D319-S321 PolarHBondContact OD2-OG 2.84Å
320	T	87.1	Confident	91.4	Very high	76 Å²	76	58 Å²	58	47%	0.466	33%	0.328	S	S	.	.			trans	-101	22.7	-179.9	64.1	0	0	0	0	112.7	L103 A314 I317	L103-T320 HydrophobicContact CD1-CG2 3.83Å; A314-T320 HydrophobicContact CB-CG2 4.31Å; I317-T320 HydrophobicContact CB-CG2 4.39Å; I317-T320 HydrophobicContact CG2-CG2 4.27Å
321	S	87.5	Confident	91.3	Very high	80 Å²	80	57.5 Å²	57.5	56%	0.559	32%	0.324	S	S	*	.	S	Bend	trans	-69.2	-36.5	177.6	58.3	0	0	0	0	112.7	D319	D319-S321 VanDerWaalsContact CG-OG 3.23Å; D319-S321 WeakPolarHBondContact OD1-CB 3.46Å; D319-S321 PolarHBondContact OD1-N 3.45Å; D319-S321 PolarHBondContact OD1-OG 3.49Å; D319-S321 PolarHBondContact OD2-OG 2.84Å
322	E	89.7	Confident	91.4	Very high	146 Å²	146	49.2 Å²	49.2	68%	0.682	29%	0.286	S	S	*	.	S	Bend	trans	-98.6	140.4	178.3	-67.4	-63.2	148.1	0	0	111.6
323	P	94.6	Very high	91.3	Very high	24 Å²	24	45.5 Å²	45.5	16%	0.156	27%	0.272	C	S	.	.			trans	-70	145.5	178.8	28.7	-33	0	0	0	111.7	L103 I325 S327	L103-P323 WeakPolarHBondContact O-CA 3.49Å; P323-I325 PolarHBondContact O-N 3.28Å; P323-S327 WeakPolarHBondContact CG-OG 3.31Å
324	L	95.5	Very high	91.3	Very high	12 Å²	12	46 Å²	46	6%	0.063	27%	0.274	C	S	.	.	S	Bend	trans	-69.3	-18.9	179.6	-66.1	-179	0	0	0	113.8	L103 L104 F305 I317 G332 G333	L103-L324 HydrophobicContact CD1-CG 4.46Å; L103-L324 HydrophobicContact CD2-CD1 4.06Å; L103-L324 HydrophobicContact CG-CD1 3.93Å; L103-L324 HydrophobicContact CG-CG 4.22Å; L103-L324 PolarHBondContact O-N 3.29Å; L104-L324 HydrophobicContact CD2-CB 4.17Å; L104-L324 HydrophobicContact CD2-CD1 4.39Å; L104-L324 PolarHBondContact O-N 2.9Å; F305-L324 HydrophobicContact CE1-CD1 3.68Å; F305-L324 HydrophobicContact CZ-CD1 3.59Å; I317-L324 HydrophobicContact CD1-CD1 3.92Å; I317-L324 HydrophobicContact CD1-CD2 3.98Å; I317-L324 HydrophobicContact CD1-CG 4.35Å; L324-G332 CarbonylContact O-C 3.56Å; L324-G332 WeakPolarHBondContact O-CA 3.31Å; L324-G333 PolarHBondContact O-N 3.35Å
325	I	96.2	Very high	91.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-107.9	116	167.9	-59.6	174	0	0	0	106.8	L104 W105 V113 W117 M301 P323 S327	L104-I325 HydrophobicContact CB-CD1 4.43Å; L104-I325 HydrophobicContact CD2-CD1 4.4Å; L104-I325 HydrophobicContact CD2-CG1 4.44Å; L104-I325 VanDerWaalsContact O-CB 3.31Å; L104-I325 WeakPolarHBondContact O-CB 3.44Å; L104-I325 PolarHBondContact O-N 3.05Å; W105-I325 HydrophobicContact CD2-CD1 4.13Å; W105-I325 HydrophobicContact CE3-CB 4.46Å; W105-I325 HydrophobicContact CE3-CD1 4.16Å; W105-I325 HydrophobicContact CE3-CG2 4.35Å; W105-I325 HydrophobicContact CH2-CD1 3.71Å; W105-I325 HydrophobicContact CZ2-CD1 3.65Å; W105-I325 HydrophobicContact CZ3-CD1 3.98Å; W105-I325 HydrophobicContact CZ3-CG2 4.13Å; V113-I325 HydrophobicContact CG1-CG2 3.87Å; W117-I325 HydrophobicContact CD2-CD1 3.99Å; W117-I325 HydrophobicContact CE3-CD1 4.17Å; W117-I325 HydrophobicContact CH2-CD1 4.1Å; W117-I325 HydrophobicContact CH2-CG1 4.06Å; W117-I325 HydrophobicContact CZ2-CB 4.5Å; W117-I325 HydrophobicContact CZ2-CD1 3.93Å; W117-I325 HydrophobicContact CZ2-CG1 3.8Å; W117-I325 HydrophobicContact CZ2-CG2 4.02Å; W117-I325 HydrophobicContact CZ3-CD1 4.22Å; M301-I325 HydrophobicContact CE-CD1 4.22Å; P323-I325 PolarHBondContact O-N 3.28Å; I325-S327 PolarHBondContact O-N 3.29Å; I325-S327 VanDerWaalsContact O-N 3.09Å
326	H	92.4	Very high	91.6	Very high	51 Å²	51	42.3 Å²	42.3	24%	0.236	24%	0.243	C	C	.	.			trans	-58.5	118.9	-175.4	-173.7	-54.2	0	0	0	110.6	T328 Y329 G330 Y331	H326-T328 VanDerWaalsContact C-N 3.28Å; H326-T328 VanDerWaalsContact CE1-CB 3.49Å; H326-T328 WeakPolarHBondContact CE1-CB 3.22Å; H326-T328 PolarHBondContact ND1-N 2.88Å; H326-T328 PolarHBondContact O-N 2.77Å; H326-T328 VanDerWaalsContact O-N 3.16Å; H326-Y329 AromaticContact CE1-CD2 3.35Å; H326-Y329 WeakPolarHBondContact CE1-CD2 3.48Å; H326-Y329 AromaticContact CE1-CE2 3.82Å; H326-Y329 AromaticContact ND1-CD2 3.63Å; H326-Y329 PolarHBondContact ND1-N 3.45Å; H326-Y329 AromaticContact NE2-CD2 3.61Å; H326-Y329 PolarHBondContact O-N 3.15Å; H326-G330 WeakPolarHBondContact O-CA 3.46Å; H326-G330 PolarHBondContact O-N 3.3Å; H326-Y331 HydrophobicContact CB-CD1 4.37Å; H326-Y331 HydrophobicContact CB-CD2 4.08Å; H326-Y331 HydrophobicContact CB-CE1 4.17Å; H326-Y331 HydrophobicContact CB-CE2 3.83Å; H326-Y331 HydrophobicContact CB-CG 4.34Å; H326-Y331 AromaticContact CD2-CZ 3.47Å; H326-Y331 VanDerWaalsContact CD2-CZ 3.47Å; H326-Y331 PolarHBondContact CD2-OH 2.74Å; H326-Y331 AromaticContact CG-CZ 3.84Å; H326-Y331 PolarHBondContact N-O 2.8Å
327	S	90.6	Very high	91.8	Very high	53 Å²	53	41.8 Å²	41.8	37%	0.371	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.1	-172.2	-47.3	0	0	0	0	113.6	R110 P323 I325	R110-S327 VanDerWaalsContact CZ-O 3.26Å; R110-S327 PolarHBondContact NH1-O 2.78Å; R110-S327 VanDerWaalsContact NH1-O 3.12Å; P323-S327 WeakPolarHBondContact CG-OG 3.31Å; I325-S327 PolarHBondContact O-N 3.29Å; I325-S327 VanDerWaalsContact O-N 3.09Å
328	T	89.1	Confident	92.1	Very high	76 Å²	76	41 Å²	41	47%	0.466	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-52	177.8	-49	0	0	0	0	114.7	R110 H326	R110-T328 VanDerWaalsContact NH1-CA 3.25Å; R110-T328 PolarHBondContact NH1-O 2.87Å; R110-T328 PolarHBondContact NH2-O 3.2Å; H326-T328 VanDerWaalsContact C-N 3.28Å; H326-T328 VanDerWaalsContact CE1-CB 3.49Å; H326-T328 WeakPolarHBondContact CE1-CB 3.22Å; H326-T328 PolarHBondContact ND1-N 2.88Å; H326-T328 PolarHBondContact O-N 2.77Å; H326-T328 VanDerWaalsContact O-N 3.16Å
329	Y	90	Very high	93	Very high	88 Å²	88	36.7 Å²	36.7	35%	0.345	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-21	-170	-58.9	-73.9	0	0	0	113.3	S31 A33 R116 H326 Y331	S31-Y329 PolarHBondContact OG-OH 2.81Å; A33-Y329 HydrophobicContact CB-CD1 4.36Å; A33-Y329 HydrophobicContact CB-CD2 3.57Å; A33-Y329 HydrophobicContact CB-CE1 3.9Å; A33-Y329 HydrophobicContact CB-CE2 3.06Å; A33-Y329 HydrophobicContact CB-CG 4.22Å; A33-Y329 WeakPolarHBondContact CB-OH 3.34Å; R116-Y329 VanDerWaalsContact CZ-O 3.3Å; R116-Y329 PolarHBondContact NH1-O 3.44Å; R116-Y329 PolarHBondContact NH2-O 2.92Å; H326-Y329 AromaticContact CE1-CD2 3.35Å; H326-Y329 WeakPolarHBondContact CE1-CD2 3.48Å; H326-Y329 AromaticContact CE1-CE2 3.82Å; H326-Y329 AromaticContact ND1-CD2 3.63Å; H326-Y329 PolarHBondContact ND1-N 3.45Å; H326-Y329 AromaticContact NE2-CD2 3.61Å; H326-Y329 PolarHBondContact O-N 3.15Å; Y329-Y331 HydrophobicContact CD2-CE1 4.16Å; Y329-Y331 HydrophobicContact CG-CE1 4.2Å; Y329-Y331 PolarHBondContact O-N 3.37Å
330	G	93	Very high	93.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.			trans	77.7	10.5	171.1	0	0	0	0	0	116.3	V113 W117 G137 H326	V113-G330 VanDerWaalsContact CG1-CA 3.5Å; W117-G330 PolarHBondContact NE1-O 3.07Å; G137-G330 VanDerWaalsContact CA-O 3.23Å; G137-G330 WeakPolarHBondContact CA-O 3.39Å; H326-G330 WeakPolarHBondContact O-CA 3.46Å; H326-G330 PolarHBondContact O-N 3.3Å
331	Y	92.5	Very high	94.2	Very high	15 Å²	15	28 Å²	28	6%	0.059	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-76.4	153.6	169.6	59	-105.8	0	0	0	110.4	S34 M35 T36 H326 Y329	S34-Y331 PolarHBondContact O-OH 3.13Å; M35-Y331 HydrophobicContact CB-CE2 4.35Å; M35-Y331 HydrophobicContact CG-CD2 3.82Å; M35-Y331 HydrophobicContact CG-CE2 4.06Å; M35-Y331 HydrophobicContact CG-CG 4.12Å; T36-Y331 PolarHBondContact OG1-OH 2.95Å; H326-Y331 HydrophobicContact CB-CD1 4.37Å; H326-Y331 HydrophobicContact CB-CD2 4.08Å; H326-Y331 HydrophobicContact CB-CE1 4.17Å; H326-Y331 HydrophobicContact CB-CE2 3.83Å; H326-Y331 HydrophobicContact CB-CG 4.34Å; H326-Y331 AromaticContact CD2-CZ 3.47Å; H326-Y331 VanDerWaalsContact CD2-CZ 3.47Å; H326-Y331 PolarHBondContact CD2-OH 2.74Å; H326-Y331 AromaticContact CG-CZ 3.84Å; H326-Y331 PolarHBondContact N-O 2.8Å; Y329-Y331 HydrophobicContact CD2-CE1 4.16Å; Y329-Y331 HydrophobicContact CG-CE1 4.2Å; Y329-Y331 PolarHBondContact O-N 3.37Å
332	G	94.2	Very high	94.7	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.021	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-81.4	138.5	173.7	0	0	0	0	0	111.4	L324	L324-G332 CarbonylContact O-C 3.56Å; L324-G332 WeakPolarHBondContact O-CA 3.31Å
333	G	93.6	Very high	95	Very high	21 Å²	21	18.6 Å²	18.6	22%	0.216	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-72.3	166	177.2	0	0	0	0	0	113.4	L324 S335 L336 I337	L324-G333 PolarHBondContact O-N 3.35Å; G333-S335 VanDerWaalsContact C-N 3.27Å; G333-S335 PolarHBondContact O-N 3.46Å; G333-L336 WeakPolarHBondContact O-CB 3.49Å; G333-L336 PolarHBondContact O-N 2.66Å; G333-I337 PolarHBondContact O-N 2.89Å
334	Q	94.8	Very high	95.1	Very high	11 Å²	11	21 Å²	21	5%	0.051	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-34.1	-175.1	-170.1	57.5	35.5	0	0	113.5	F37 L336 I337 N338 A347 V349	F37-Q334 HydrophobicContact CD1-CB 4.11Å; F37-Q334 HydrophobicContact CD1-CG 3.91Å; F37-Q334 HydrophobicContact CE1-CB 4.17Å; F37-Q334 HydrophobicContact CE1-CG 3.75Å; Q334-L336 VanDerWaalsContact C-N 3.29Å; Q334-L336 PolarHBondContact O-N 3.12Å; Q334-I337 PolarHBondContact O-N 3.17Å; Q334-N338 PolarHBondContact NE2-OD1 2.78Å; Q334-N338 WeakPolarHBondContact O-CB 3.47Å; Q334-N338 PolarHBondContact O-N 3.46Å; Q334-A347 WeakPolarHBondContact CB-O 3.4Å; Q334-A347 VanDerWaalsContact CG-O 3.28Å; Q334-A347 WeakPolarHBondContact CG-O 3.42Å; Q334-V349 HydrophobicContact CG-CG1 3.78Å; Q334-V349 VanDerWaalsContact NE2-CG1 3.3Å
335	S	96.2	Very high	95.2	Very high	9 Å²	9	20.4 Å²	20.4	6%	0.063	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-37.9	175.4	-55	0	0	0	0	112.8	G333 L339 A345 V346 A347	G333-S335 VanDerWaalsContact C-N 3.27Å; G333-S335 PolarHBondContact O-N 3.46Å; S335-L339 WeakPolarHBondContact O-CB 2.92Å; S335-L339 PolarHBondContact O-N 2.83Å; S335-A345 VanDerWaalsContact CB-O 3.3Å; S335-A345 WeakPolarHBondContact CB-O 3.31Å; S335-A345 WeakPolarHBondContact O-CA 3.29Å; S335-A345 PolarHBondContact OG-O 3.19Å; S335-V346 WeakPolarHBondContact CA-O 3.27Å; S335-A347 WeakPolarHBondContact OG-CA 3.31Å
336	L	97.2	Very high	95.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.8	-46	174.3	173.7	57.4	0	0	0	110.7	W117 A140 M301 F305 G333 Q334 N338 L339 M340	W117-L336 HydrophobicContact CH2-CD2 3.71Å; W117-L336 HydrophobicContact CZ3-CD2 4.18Å; A140-L336 HydrophobicContact CB-CD2 4.11Å; A140-L336 HydrophobicContact CB-CG 4.28Å; M301-L336 HydrophobicContact CG-CD1 4.17Å; M301-L336 HydrophobicContact SD-CD1 4.14Å; M301-L336 HydrophobicContact SD-CD2 3.94Å; F305-L336 HydrophobicContact CE2-CD1 3.61Å; F305-L336 HydrophobicContact CZ-CD1 3.87Å; G333-L336 WeakPolarHBondContact O-CB 3.49Å; G333-L336 PolarHBondContact O-N 2.66Å; Q334-L336 VanDerWaalsContact C-N 3.29Å; Q334-L336 PolarHBondContact O-N 3.12Å; L336-N338 VanDerWaalsContact C-N 3.34Å; L336-N338 PolarHBondContact O-N 2.97Å; L336-L339 WeakPolarHBondContact O-CB 3.34Å; L336-L339 PolarHBondContact O-N 2.99Å; L336-M340 HydrophobicContact CD1-CG 4.22Å; L336-M340 VanDerWaalsContact O-CG 3.29Å; L336-M340 WeakPolarHBondContact O-CG 3.47Å; L336-M340 PolarHBondContact O-N 2.83Å
337	I	97.7	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-48.1	178.1	-60.9	166.1	0	0	0	110.2	M35 A140 G333 Q334 L339 M340 L341 F372 L404	M35-I337 HydrophobicContact SD-CD1 4.44Å; A140-I337 HydrophobicContact CB-CG1 3.79Å; G333-I337 PolarHBondContact O-N 2.89Å; Q334-I337 PolarHBondContact O-N 3.17Å; I337-L339 VanDerWaalsContact C-N 3.34Å; I337-L339 PolarHBondContact O-N 3.21Å; I337-M340 PolarHBondContact O-N 2.93Å; I337-L341 HydrophobicContact CG2-CD1 3.79Å; I337-L341 HydrophobicContact CG2-CG 4.37Å; I337-L341 WeakPolarHBondContact O-CG 3.36Å; I337-L341 PolarHBondContact O-N 2.87Å; I337-F372 HydrophobicContact CG2-CD2 4.38Å; I337-F372 HydrophobicContact CG2-CE2 4.1Å; I337-L404 HydrophobicContact CD1-CD1 3.71Å; I337-L404 HydrophobicContact CD1-CD2 4.22Å; I337-L404 HydrophobicContact CD1-CG 4.49Å; I337-L404 HydrophobicContact CG1-CD1 3.89Å
338	N	97.9	Very high	95.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.4	-36.7	178.4	-76.5	-10.1	0	0	0	112.3	Q334 L336 M340 L341 T342 R344 V346 H348 F388	Q334-N338 PolarHBondContact NE2-OD1 2.78Å; Q334-N338 WeakPolarHBondContact O-CB 3.47Å; Q334-N338 PolarHBondContact O-N 3.46Å; L336-N338 VanDerWaalsContact C-N 3.34Å; L336-N338 PolarHBondContact O-N 2.97Å; N338-M340 VanDerWaalsContact C-N 3.31Å; N338-M340 PolarHBondContact O-N 2.83Å; N338-L341 PolarHBondContact O-N 3.44Å; N338-T342 WeakPolarHBondContact O-CB 3.34Å; N338-T342 PolarHBondContact O-N 3.18Å; N338-T342 PolarHBondContact O-OG1 3.3Å; N338-R344 CarbonylContact C-O 3.45Å; N338-R344 WeakPolarHBondContact CB-O 3.25Å; N338-V346 HydrophobicContact CB-CG2 4.39Å; N338-V346 WeakPolarHBondContact CB-O 3.38Å; N338-V346 PolarHBondContact ND2-O 3.32Å; N338-H348 PolarHBondContact ND2-O 2.7Å; N338-H348 VanDerWaalsContact ND2-O 3.1Å; N338-F388 WeakPolarHBondContact OD1-CE2 3.43Å; N338-F388 WeakPolarHBondContact OD1-CZ 3.38Å
339	L	98.2	Very high	95.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.6	-43.7	174	178	61	0	0	0	110.7	V304 F305 K308 V313 S335 L336 I337 G343 R344 A345	V304-L339 HydrophobicContact CG1-CD1 4.28Å; V304-L339 HydrophobicContact CG1-CD2 4.07Å; V304-L339 HydrophobicContact CG1-CG 3.86Å; F305-L339 HydrophobicContact CD1-CD2 4.14Å; F305-L339 HydrophobicContact CD2-CD2 4.17Å; F305-L339 HydrophobicContact CE1-CD2 3.95Å; F305-L339 HydrophobicContact CE2-CD2 3.95Å; F305-L339 HydrophobicContact CG-CD2 4.24Å; F305-L339 HydrophobicContact CZ-CD2 3.83Å; K308-L339 HydrophobicContact CB-CD1 4.24Å; K308-L339 HydrophobicContact CD-CD1 4.47Å; K308-L339 HydrophobicContact CG-CD1 4Å; V313-L339 HydrophobicContact CG2-CD2 4.43Å; S335-L339 WeakPolarHBondContact O-CB 2.92Å; S335-L339 PolarHBondContact O-N 2.83Å; L336-L339 WeakPolarHBondContact O-CB 3.34Å; L336-L339 PolarHBondContact O-N 2.99Å; I337-L339 VanDerWaalsContact C-N 3.34Å; I337-L339 PolarHBondContact O-N 3.21Å; L339-G343 VanDerWaalsContact O-CA 3.23Å; L339-G343 WeakPolarHBondContact O-CA 3.15Å; L339-G343 PolarHBondContact O-N 3.3Å; L339-R344 WeakPolarHBondContact CA-O 3.35Å; L339-R344 PolarHBondContact N-O 2.89Å; L339-A345 HydrophobicContact CB-CB 4.14Å; L339-A345 HydrophobicContact CD1-CB 4.44Å
340	M	98.6	Very high	95.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-69.2	-35	178.6	-62.4	-60.4	-65.2	0	0	112.8	V141 P144 V145 I181 F300 V304 L336 I337 N338	V141-M340 HydrophobicContact CB-CE 4.26Å; V141-M340 HydrophobicContact CG1-CE 3.77Å; V141-M340 HydrophobicContact CG2-CE 4.23Å; V141-M340 HydrophobicContact CG2-SD 4.43Å; P144-M340 HydrophobicContact CB-CB 3.8Å; P144-M340 HydrophobicContact CG-CB 3.86Å; V145-M340 HydrophobicContact CG2-CE 4.49Å; I181-M340 HydrophobicContact CD1-CE 4.29Å; I181-M340 HydrophobicContact CG2-CE 4.09Å; I181-M340 HydrophobicContact CG2-SD 4.46Å; F300-M340 HydrophobicContact CD1-CE 3.93Å; F300-M340 HydrophobicContact CE1-CE 3.51Å; V304-M340 HydrophobicContact CB-SD 4.28Å; V304-M340 HydrophobicContact CG1-SD 4.09Å; V304-M340 HydrophobicContact CG2-CE 4.44Å; V304-M340 HydrophobicContact CG2-SD 4.07Å; L336-M340 HydrophobicContact CD1-CG 4.22Å; L336-M340 VanDerWaalsContact O-CG 3.29Å; L336-M340 WeakPolarHBondContact O-CG 3.47Å; L336-M340 PolarHBondContact O-N 2.83Å; I337-M340 PolarHBondContact O-N 2.93Å; N338-M340 VanDerWaalsContact C-N 3.31Å; N338-M340 PolarHBondContact O-N 2.83Å
341	L	98.5	Very high	95.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-81.4	-36.3	-179.6	-69.3	175.6	0	0	0	113.7	P144 Y148 N184 I337 N338 I370 F372 F388 V397	P144-L341 HydrophobicContact CB-CD2 3.91Å; P144-L341 HydrophobicContact CB-CG 4.44Å; P144-L341 HydrophobicContact CG-CD2 4.09Å; P144-L341 HydrophobicContact CG-CG 4.29Å; Y148-L341 PolarHBondContact OH-O 3.19Å; Y148-L341 VanDerWaalsContact OH-O 3.05Å; N184-L341 PolarHBondContact ND2-O 3.3Å; I337-L341 HydrophobicContact CG2-CD1 3.79Å; I337-L341 HydrophobicContact CG2-CG 4.37Å; I337-L341 WeakPolarHBondContact O-CG 3.36Å; I337-L341 PolarHBondContact O-N 2.87Å; N338-L341 PolarHBondContact O-N 3.44Å; L341-I370 HydrophobicContact CD2-CB 3.96Å; L341-I370 HydrophobicContact CD2-CG2 3.67Å; L341-F372 HydrophobicContact CD1-CB 4.27Å; L341-F372 HydrophobicContact CD1-CD2 4.03Å; L341-F388 HydrophobicContact CB-CE1 4.41Å; L341-F388 HydrophobicContact CD1-CE1 4.3Å; L341-F388 HydrophobicContact CD1-CZ 4.25Å; L341-V397 HydrophobicContact CD2-CG2 3.85Å
342	T	97.8	Very high	95.5	Very high	26 Å²	26	14 Å²	14	16%	0.16	8%	0.076	C	C	.	.	H	α-helix	trans	-129.2	-10.6	-165.3	70.9	0	0	0	0	114.2	N338 R344 I364 F388	N338-T342 WeakPolarHBondContact O-CB 3.34Å; N338-T342 PolarHBondContact O-N 3.18Å; N338-T342 PolarHBondContact O-OG1 3.3Å; T342-R344 PolarHBondContact O-N 2.85Å; T342-R344 PolarHBondContact OG1-N 2.87Å; T342-I364 HydrophobicContact CG2-CD1 4.33Å; T342-F388 HydrophobicContact CG2-CE1 3.58Å; T342-F388 HydrophobicContact CG2-CZ 3.74Å
343	G	97.4	Very high	95.2	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.099	C	C	.	.	S	Bend	trans	73.4	13.9	-171.2	0	0	0	0	0	114	K308 L339	K308-G343 WeakPolarHBondContact CD-O 3.43Å; K308-G343 WeakPolarHBondContact CE-O 3.09Å; K308-G343 PolarHBondContact NZ-O 2.71Å; L339-G343 VanDerWaalsContact O-CA 3.23Å; L339-G343 WeakPolarHBondContact O-CA 3.15Å; L339-G343 PolarHBondContact O-N 3.3Å
344	R	96.1	Very high	94.7	Very high	74 Å²	74	21.9 Å²	21.9	28%	0.279	11%	0.107	S	C	.	.			trans	-124.2	128.5	176.4	-61.3	-63.5	-60.3	-80.9	-1.3	110	D316 N338 L339 T342 V346 C365	D316-R344 IonicContact OD1-CZ 2.67Å; D316-R344 IonicContact OD1-NE 3.91Å; D316-R344 PolarHBondContact OD1-NE 2.96Å; D316-R344 IonicContact OD1-NH2 2.7Å; D316-R344 PolarHBondContact OD1-NH2 2.9Å; D316-R344 WeakPolarHBondContact OD2-CA 3.48Å; D316-R344 IonicContact OD2-CZ 3.28Å; D316-R344 IonicContact OD2-NE 2.78Å; D316-R344 PolarHBondContact OD2-NE 2.99Å; D316-R344 IonicContact OD2-NH2 3.68Å; N338-R344 CarbonylContact C-O 3.45Å; N338-R344 WeakPolarHBondContact CB-O 3.25Å; L339-R344 WeakPolarHBondContact CA-O 3.35Å; L339-R344 PolarHBondContact N-O 2.89Å; T342-R344 PolarHBondContact O-N 2.85Å; T342-R344 PolarHBondContact OG1-N 2.87Å; R344-V346 HydrophobicContact CB-CG1 4.49Å; R344-V346 HydrophobicContact CB-CG2 4.49Å; R344-V346 PolarHBondContact O-N 2.96Å; R344-C365 PolarHBondContact NH1-SG 2.79Å; R344-C365 VanDerWaalsContact NH1-SG 3.42Å
345	A	96.4	Very high	94.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	13%	0.129	C	C	.	.			trans	-91.2	38.3	-175.8	0	0	0	0	0	112.6	V313 D316 I317 S335 L339	V313-A345 HydrophobicContact CB-CB 4.39Å; V313-A345 HydrophobicContact CG1-CB 3.84Å; V313-A345 HydrophobicContact CG2-CB 4.5Å; D316-A345 HydrophobicContact CB-CB 4.06Å; D316-A345 PolarHBondContact OD2-N 3.46Å; D316-A345 VanDerWaalsContact OD2-N 3.1Å; I317-A345 HydrophobicContact CD1-CB 4.44Å; I317-A345 HydrophobicContact CG1-CB 4.06Å; I317-A345 WeakPolarHBondContact CG1-O 3.49Å; I317-A345 PolarHBondContact N-O 3.2Å; S335-A345 VanDerWaalsContact CB-O 3.3Å; S335-A345 WeakPolarHBondContact CB-O 3.31Å; S335-A345 WeakPolarHBondContact O-CA 3.29Å; S335-A345 PolarHBondContact OG-O 3.19Å; L339-A345 HydrophobicContact CB-CB 4.14Å; L339-A345 HydrophobicContact CD1-CB 4.44Å
346	V	95.5	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.			trans	-76.8	144.7	-179.8	-65.4	0	0	0	0	110.5	D316 S335 N338 R344 H348 R362 I364	D316-V346 HydrophobicContact CB-CG1 4.06Å; S335-V346 WeakPolarHBondContact CA-O 3.27Å; N338-V346 HydrophobicContact CB-CG2 4.39Å; N338-V346 WeakPolarHBondContact CB-O 3.38Å; N338-V346 PolarHBondContact ND2-O 3.32Å; R344-V346 HydrophobicContact CB-CG1 4.49Å; R344-V346 HydrophobicContact CB-CG2 4.49Å; R344-V346 PolarHBondContact O-N 2.96Å; V346-H348 VanDerWaalsContact C-N 3.32Å; V346-H348 PolarHBondContact O-N 2.74Å; V346-R362 HydrophobicContact CG1-CB 3.91Å; V346-I364 HydrophobicContact CG2-CD1 3.86Å
347	A	93	Very high	92.3	Very high	17 Å²	17	31.5 Å²	31.5	14%	0.14	18%	0.177	C	C	.	.	S	Bend	trans	-78.5	-15.2	-177.2	0	0	0	0	0	114.1	A38 Q334 S335	A38-A347 HydrophobicContact CB-CB 4.16Å; Q334-A347 WeakPolarHBondContact CB-O 3.4Å; Q334-A347 VanDerWaalsContact CG-O 3.28Å; Q334-A347 WeakPolarHBondContact CG-O 3.42Å; S335-A347 WeakPolarHBondContact OG-CA 3.31Å
348	H	94.1	Very high	91.5	Very high	20 Å²	20	34.4 Å²	34.4	9%	0.093	21%	0.207	C	C	.	.			trans	-111.2	151.8	-167.7	-52.5	-61	0	0	0	112.9	A38 N338 V346 W350 R362	A38-H348 PolarHBondContact O-CE1 3.37Å; A38-H348 PolarHBondContact O-ND1 2.88Å; N338-H348 PolarHBondContact ND2-O 2.7Å; N338-H348 VanDerWaalsContact ND2-O 3.1Å; V346-H348 VanDerWaalsContact C-N 3.32Å; V346-H348 PolarHBondContact O-N 2.74Å; H348-W350 HydrophobicContact CB-CD2 3.69Å; H348-W350 HydrophobicContact CB-CE3 3.71Å; H348-W350 HydrophobicContact CB-CH2 3.51Å; H348-W350 HydrophobicContact CB-CZ2 3.44Å; H348-W350 VanDerWaalsContact CB-CZ2 3.44Å; H348-W350 HydrophobicContact CB-CZ3 3.62Å; H348-W350 AromaticContact CD2-CH2 3.59Å; H348-W350 AromaticContact CD2-CZ2 3.38Å; H348-W350 WeakPolarHBondContact CD2-CZ2 3.42Å; H348-W350 AromaticContact CE1-CH2 3.46Å; H348-W350 VanDerWaalsContact CE1-CH2 3.46Å; H348-W350 WeakPolarHBondContact CE1-CH2 3.23Å; H348-W350 AromaticContact CG-CE2 3.86Å; H348-W350 AromaticContact CG-CH2 3.09Å; H348-W350 AromaticContact CG-CZ2 3.22Å; H348-W350 AromaticContact CG-CZ3 3.62Å; H348-W350 AromaticContact ND1-CH2 3.02Å; H348-W350 WeakPolarHBondContact ND1-CH2 3.18Å; H348-W350 AromaticContact ND1-CZ2 3.68Å; H348-W350 AromaticContact ND1-CZ3 3.44Å; H348-W350 WeakPolarHBondContact ND1-CZ3 3.31Å; H348-W350 AromaticContact NE2-CH2 3.8Å; H348-W350 AromaticContact NE2-CZ2 3.92Å; H348-R362 WeakPolarHBondContact CB-O 3.39Å; H348-R362 PolarHBondContact CD2-O 3.31Å; H348-R362 VanDerWaalsContact CD2-O 3.24Å
349	V	95.2	Very high	90.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	23%	0.234	C	C	.	.			trans	-113	4.3	-172.2	-62.9	0	0	0	0	113.6	F37 Q334 F372 C382 V384 G385 F388	F37-V349 HydrophobicContact CE1-CG1 4.3Å; Q334-V349 HydrophobicContact CG-CG1 3.78Å; Q334-V349 VanDerWaalsContact NE2-CG1 3.3Å; V349-F372 HydrophobicContact CB-CD1 4.46Å; V349-F372 HydrophobicContact CG1-CD1 4.03Å; V349-F372 HydrophobicContact CG1-CE1 4.08Å; V349-C382 HydrophobicContact CG2-CB 4.17Å; V349-V384 HydrophobicContact CG2-CB 4.49Å; V349-V384 HydrophobicContact CG2-CG2 3.92Å; V349-G385 PolarHBondContact O-N 3.34Å; V349-F388 HydrophobicContact CB-CD2 4Å; V349-F388 HydrophobicContact CB-CE2 4.15Å; V349-F388 HydrophobicContact CG1-CD2 4.3Å; V349-F388 HydrophobicContact CG1-CE2 4.01Å
350	W	92	Very high	90.1	Very high	30 Å²	30	46.5 Å²	46.5	11%	0.114	26%	0.264	C	S	.	.	S	Bend	trans	-82.4	171.4	170.1	59.1	76.6	0	0	0	111.5	H348 Q354 L361 G363 I364 T383	H348-W350 HydrophobicContact CB-CD2 3.69Å; H348-W350 HydrophobicContact CB-CE3 3.71Å; H348-W350 HydrophobicContact CB-CH2 3.51Å; H348-W350 HydrophobicContact CB-CZ2 3.44Å; H348-W350 VanDerWaalsContact CB-CZ2 3.44Å; H348-W350 HydrophobicContact CB-CZ3 3.62Å; H348-W350 AromaticContact CD2-CH2 3.59Å; H348-W350 AromaticContact CD2-CZ2 3.38Å; H348-W350 WeakPolarHBondContact CD2-CZ2 3.42Å; H348-W350 AromaticContact CE1-CH2 3.46Å; H348-W350 VanDerWaalsContact CE1-CH2 3.46Å; H348-W350 WeakPolarHBondContact CE1-CH2 3.23Å; H348-W350 AromaticContact CG-CE2 3.86Å; H348-W350 AromaticContact CG-CH2 3.09Å; H348-W350 AromaticContact CG-CZ2 3.22Å; H348-W350 AromaticContact CG-CZ3 3.62Å; H348-W350 AromaticContact ND1-CH2 3.02Å; H348-W350 WeakPolarHBondContact ND1-CH2 3.18Å; H348-W350 AromaticContact ND1-CZ2 3.68Å; H348-W350 AromaticContact ND1-CZ3 3.44Å; H348-W350 WeakPolarHBondContact ND1-CZ3 3.31Å; H348-W350 AromaticContact NE2-CH2 3.8Å; H348-W350 AromaticContact NE2-CZ2 3.92Å; W350-Q354 HydrophobicContact CG-CG 4.43Å; W350-Q354 VanDerWaalsContact CG-NE2 3.33Å; W350-Q354 HydrophobicContact CZ2-CB 4.48Å; W350-L361 HydrophobicContact CH2-CD1 4.29Å; W350-L361 HydrophobicContact CZ2-CB 3.79Å; W350-L361 HydrophobicContact CZ2-CD1 4.28Å; W350-G363 CarbonylContact O-C 3.55Å; W350-G363 WeakPolarHBondContact O-CA 3.45Å; W350-I364 PolarHBondContact O-N 3.3Å; W350-T383 PolarHBondContact N-O 3.29Å
351	D	90.9	Very high	89.5	Confident	23 Å²	23	48.1 Å²	48.1	12%	0.123	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-83.3	142.6	-179.8	-49.1	-45.6	0	0	0	112.1	I364 G385 S386 F387	D351-I364 CarbonylContact C-O 3.57Å; D351-I364 WeakPolarHBondContact CA-O 3.38Å; D351-G385 VanDerWaalsContact CG-CA 3.49Å; D351-G385 VanDerWaalsContact OD1-C 3.24Å; D351-G385 WeakPolarHBondContact OD1-CA 3.43Å; D351-G385 WeakPolarHBondContact OD2-CA 3.23Å; D351-S386 VanDerWaalsContact CG-N 3.29Å; D351-S386 PolarHBondContact OD1-N 2.86Å; D351-S386 VanDerWaalsContact OD1-N 3.08Å; D351-S386 PolarHBondContact OD2-N 3.06Å; D351-S386 PolarHBondContact OD2-OG 3.05Å; D351-S386 VanDerWaalsContact OD2-OG 3.13Å; D351-F387 HydrophobicContact CB-CD2 3.77Å; D351-F387 HydrophobicContact CB-CE2 3.76Å; D351-F387 HydrophobicContact CB-CG 4.38Å; D351-F387 HydrophobicContact CB-CZ 4.36Å; D351-F387 VanDerWaalsContact OD1-CB 3.27Å; D351-F387 WeakPolarHBondContact OD1-CB 3.47Å; D351-F387 VanDerWaalsContact OD1-CD2 3.31Å; D351-F387 WeakPolarHBondContact OD1-CD2 3.21Å; D351-F387 VanDerWaalsContact OD1-CG 3.23Å; D351-F387 WeakPolarHBondContact OD1-CG 3.24Å; D351-F387 PolarHBondContact OD1-N 3.49Å
352	N	89.7	Confident	89.2	Confident	57 Å²	57	52.3 Å²	52.3	31%	0.305	29%	0.288	S	S	.	.	S	Bend	trans	56.3	-146.4	174.7	-53.7	-66.5	0	0	0	113.3	G363 I364	N352-G363 CarbonylContact O-C 3.04Å; N352-G363 WeakPolarHBondContact O-CA 3.27Å; N352-G363 PolarHBondContact O-N 2.91Å; N352-I364 PolarHBondContact N-O 2.9Å
353	E	88.8	Confident	89	Confident	108 Å²	108	51.3 Å²	51.3	51%	0.505	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.1	178.9	-56.7	-173.5	156	0	0	109.6	L361 R362	E353-L361 CarbonylContact C-O 3.57Å; E353-L361 VanDerWaalsContact CA-O 3.25Å; E353-L361 WeakPolarHBondContact CA-O 3.28Å; E353-R362 HydrophobicContact CG-CG 4.2Å; E353-R362 IonicContact OE1-NE 3.57Å
354	Q	82.4	Confident	88.9	Confident	82 Å²	82	51.5 Å²	51.5	38%	0.383	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.3	169	-70.1	-175.4	12	0	0	109	W350 V356 K360 L361	W350-Q354 HydrophobicContact CG-CG 4.43Å; W350-Q354 VanDerWaalsContact CG-NE2 3.33Å; W350-Q354 HydrophobicContact CZ2-CB 4.48Å; Q354-V356 HydrophobicContact CB-CG2 4.29Å; Q354-K360 WeakPolarHBondContact O-CA 3.19Å; Q354-L361 PolarHBondContact N-O 3.48Å; Q354-L361 PolarHBondContact O-N 3.23Å
355	D	82.2	Confident	88.8	Confident	99 Å²	99	50.6 Å²	50.6	53%	0.529	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109.2	171.9	-167	-29.6	0	0	0	108.6	G358	D355-G358 WeakPolarHBondContact OD1-CA 3.47Å; D355-G358 PolarHBondContact OD1-N 3.23Å
356	V	77.7	Confident	88.7	Confident	48 Å²	48	53.7 Å²	53.7	29%	0.291	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	102.9	-178.5	-175.9	0	0	0	0	108.3	L42 Q354 G358 L359 L361	L42-V356 HydrophobicContact CD1-CG1 4.26Å; Q354-V356 HydrophobicContact CB-CG2 4.29Å; V356-G358 PolarHBondContact O-N 2.86Å; V356-L359 PolarHBondContact N-O 2.62Å; V356-L359 WeakPolarHBondContact O-CB 3.42Å; V356-L359 PolarHBondContact O-N 3.09Å; V356-L361 HydrophobicContact CB-CD1 4.1Å; V356-L361 HydrophobicContact CG2-CD1 3.84Å; V356-L361 HydrophobicContact CG2-CG 4.44Å
357	G	77.8	Confident	88.7	Confident	75 Å²	75	55.6 Å²	55.6	77%	0.773	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	27.9	179.4	0	0	0	0	0	114.3	L359	G357-L359 VanDerWaalsContact C-N 3.34Å
358	G	81.2	Confident	88.8	Confident	60 Å²	60	55 Å²	55	62%	0.619	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-4.3	-175.1	0	0	0	0	0	114	D355 V356	D355-G358 WeakPolarHBondContact OD1-CA 3.47Å; D355-G358 PolarHBondContact OD1-N 3.23Å; V356-G358 PolarHBondContact O-N 2.86Å
359	L	81.5	Confident	89	Confident	111 Å²	111	55.3 Å²	55.3	58%	0.581	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.4	173.2	-60.9	174	0	0	0	109.3	V356 G357 L361	V356-L359 PolarHBondContact N-O 2.62Å; V356-L359 WeakPolarHBondContact O-CB 3.42Å; V356-L359 PolarHBondContact O-N 3.09Å; G357-L359 VanDerWaalsContact C-N 3.34Å; L359-L361 HydrophobicContact CB-CD2 4.46Å; L359-L361 PolarHBondContact O-N 3.27Å
360	K	84.8	Confident	89.1	Confident	144 Å²	144	55.2 Å²	55.2	63%	0.626	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	104.4	173.6	-68.2	-169.9	176.3	-168.5	0	110.3	Q354	Q354-K360 WeakPolarHBondContact O-CA 3.19Å
361	L	87.3	Confident	89.4	Confident	33 Å²	33	53.8 Å²	53.8	17%	0.173	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.9	176.6	-57.4	-176.7	0	0	0	110	A40 W350 E353 Q354 V356 L359	A40-L361 HydrophobicContact CB-CD1 4.19Å; W350-L361 HydrophobicContact CH2-CD1 4.29Å; W350-L361 HydrophobicContact CZ2-CB 3.79Å; W350-L361 HydrophobicContact CZ2-CD1 4.28Å; E353-L361 CarbonylContact C-O 3.57Å; E353-L361 VanDerWaalsContact CA-O 3.25Å; E353-L361 WeakPolarHBondContact CA-O 3.28Å; Q354-L361 PolarHBondContact N-O 3.48Å; Q354-L361 PolarHBondContact O-N 3.23Å; V356-L361 HydrophobicContact CB-CD1 4.1Å; V356-L361 HydrophobicContact CG2-CD1 3.84Å; V356-L361 HydrophobicContact CG2-CG 4.44Å; L359-L361 HydrophobicContact CB-CD2 4.46Å; L359-L361 PolarHBondContact O-N 3.27Å
362	R	91.6	Very high	89.8	Confident	88 Å²	88	52.7 Å²	52.7	33%	0.332	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.3	-176	-62.9	-176.1	179.9	150.9	12	111.9	A315 D316 V346 H348 E353	A315-R362 PolarHBondContact O-NH1 3.32Å; D316-R362 IonicContact OD1-NH1 3.36Å; V346-R362 HydrophobicContact CG1-CB 3.91Å; H348-R362 WeakPolarHBondContact CB-O 3.39Å; H348-R362 PolarHBondContact CD2-O 3.31Å; H348-R362 VanDerWaalsContact CD2-O 3.24Å; E353-R362 HydrophobicContact CG-CG 4.2Å; E353-R362 IonicContact OE1-NE 3.57Å
363	G	93.3	Very high	90.2	Very high	5 Å²	5	50 Å²	50	5%	0.052	28%	0.283	C	S	.	.			trans	-106.4	-154.2	168	0	0	0	0	0	112.2	W350 N352	W350-G363 CarbonylContact O-C 3.55Å; W350-G363 WeakPolarHBondContact O-CA 3.45Å; N352-G363 CarbonylContact O-C 3.04Å; N352-G363 WeakPolarHBondContact O-CA 3.27Å; N352-G363 PolarHBondContact O-N 2.91Å
364	I	95.3	Very high	90.6	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-78.5	126.1	-178.1	-53.2	-54	0	0	0	109.4	T342 V346 W350 D351 N352 E366 F387 F388	T342-I364 HydrophobicContact CG2-CD1 4.33Å; V346-I364 HydrophobicContact CG2-CD1 3.86Å; W350-I364 PolarHBondContact O-N 3.3Å; D351-I364 CarbonylContact C-O 3.57Å; D351-I364 WeakPolarHBondContact CA-O 3.38Å; N352-I364 PolarHBondContact N-O 2.9Å; I364-E366 VanDerWaalsContact CG2-O 3.28Å; I364-E366 WeakPolarHBondContact CG2-O 3.42Å; I364-F387 HydrophobicContact CB-CD2 4.44Å; I364-F387 HydrophobicContact CG2-CB 3.95Å; I364-F387 HydrophobicContact CG2-CD2 4.22Å; I364-F387 WeakPolarHBondContact O-CD2 3.06Å; I364-F387 WeakPolarHBondContact O-CE2 3.24Å; I364-F388 HydrophobicContact CD1-CD2 4.23Å; I364-F388 HydrophobicContact CD1-CE1 4.31Å; I364-F388 HydrophobicContact CD1-CE2 3.38Å; I364-F388 HydrophobicContact CD1-CZ 3.42Å; I364-F388 VanDerWaalsContact CD1-CZ 3.42Å; I364-F388 HydrophobicContact CG1-CD2 3.63Å; I364-F388 HydrophobicContact CG1-CE1 4.34Å; I364-F388 HydrophobicContact CG1-CE2 3.31Å; I364-F388 HydrophobicContact CG1-CG 4.29Å; I364-F388 HydrophobicContact CG1-CZ 3.7Å
365	C	93.6	Very high	91.2	Very high	56 Å²	56	42.3 Å²	42.3	38%	0.378	25%	0.248	S	C	.	.			trans	-93.3	-8	-171.7	61	0	0	0	0	115	R344	R344-C365 PolarHBondContact NH1-SG 2.79Å; R344-C365 VanDerWaalsContact NH1-SG 3.42Å
366	E	94.1	Very high	91.7	Very high	65 Å²	65	37.6 Å²	37.6	30%	0.304	22%	0.222	S	C	.	.	S	Bend	trans	-158.5	159.2	179.9	57	173.9	-112.8	0	0	111.3	R186 I364 S368 F387 R392	R186-E366 IonicContact CZ-OE1 3.9Å; R186-E366 IonicContact CZ-OE2 3.28Å; R186-E366 IonicContact NH1-OE2 2.73Å; R186-E366 PolarHBondContact NH1-OE2 3.35Å; R186-E366 VanDerWaalsContact NH1-OE2 3.11Å; R186-E366 IonicContact NH2-OE1 3.51Å; R186-E366 PolarHBondContact NH2-OE1 2.82Å; R186-E366 IonicContact NH2-OE2 3.45Å; R186-E366 PolarHBondContact NH2-OE2 2.82Å; I364-E366 VanDerWaalsContact CG2-O 3.28Å; I364-E366 WeakPolarHBondContact CG2-O 3.42Å; E366-S368 PolarHBondContact O-N 3.28Å; E366-F387 WeakPolarHBondContact O-CB 3.43Å; E366-R392 IonicContact OE1-NH2 2.76Å; E366-R392 PolarHBondContact OE1-NH2 3.4Å
367	Q	95.2	Very high	92.4	Very high	40 Å²	40	36.5 Å²	36.5	19%	0.187	21%	0.214	C	C	.	.			trans	-53.4	122.4	173.2	-170.8	177.9	47.5	0	0	111.2	F387 N390 R392 S416	Q367-F387 HydrophobicContact CB-CD1 4.4Å; Q367-N390 WeakPolarHBondContact CG-O 3.01Å; Q367-N390 PolarHBondContact NE2-O 3.02Å; Q367-R392 HydrophobicContact CG-CG 4.01Å; Q367-R392 PolarHBondContact O-NH1 2.97Å; Q367-R392 PolarHBondContact O-NH2 3.09Å; Q367-S416 PolarHBondContact NE2-O 3.41Å
368	S	96.7	Very high	93	Very high	6 Å²	6	36 Å²	36	4%	0.042	19%	0.191	C	C	.	.			trans	-82.1	156.3	-178.8	-179	0	0	0	0	111.8	E366 I370 F387 P391 R392	E366-S368 PolarHBondContact O-N 3.28Å; S368-I370 VanDerWaalsContact C-N 3.34Å; S368-I370 WeakPolarHBondContact CB-O 3.33Å; S368-I370 PolarHBondContact OG-N 3.22Å; S368-I370 PolarHBondContact OG-O 3.41Å; S368-F387 PolarHBondContact N-O 3.38Å; S368-P391 CarbonylContact O-C 3.59Å; S368-P391 WeakPolarHBondContact O-CA 3.41Å; S368-P391 WeakPolarHBondContact O-CB 3.31Å; S368-R392 PolarHBondContact O-N 3.4Å
369	D	97.5	Very high	93.3	Very high	25 Å²	25	37.2 Å²	37.2	13%	0.134	18%	0.182	C	C	.	.	S	Bend	trans	-65.4	-40.6	169.4	-86.7	18.5	0	0	0	111.5	Y148 K151 R392 Y393	Y148-D369 HydrophobicContact CE1-CB 4.25Å; K151-D369 HydrophobicContact CD-CB 4.24Å; K151-D369 IonicContact NZ-OD2 2.67Å; K151-D369 PolarHBondContact NZ-OD2 3.47Å; D369-R392 WeakPolarHBondContact OD1-CD 3.43Å; D369-R392 IonicContact OD1-CZ 2.74Å; D369-R392 IonicContact OD1-NH1 2.61Å; D369-R392 PolarHBondContact OD1-NH1 3.28Å; D369-Y393 HydrophobicContact CB-CD2 4.13Å; D369-Y393 HydrophobicContact CB-CE2 4.3Å; D369-Y393 WeakPolarHBondContact O-CD2 3.15Å; D369-Y393 PolarHBondContact O-N 3.05Å
370	I	98.6	Very high	93.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-113.5	130.5	179.7	-55.5	-58	0	0	0	108.3	A147 Y148 K151 L341 S368 V395 V397	A147-I370 HydrophobicContact CB-CD1 4.19Å; A147-I370 HydrophobicContact CB-CG1 4.31Å; A147-I370 HydrophobicContact CB-CG2 3.57Å; Y148-I370 HydrophobicContact CD1-CG1 4.37Å; Y148-I370 HydrophobicContact CD2-CG1 3.86Å; Y148-I370 HydrophobicContact CE1-CG1 4.15Å; Y148-I370 HydrophobicContact CE2-CG1 3.63Å; Y148-I370 HydrophobicContact CG-CG1 4.2Å; K151-I370 HydrophobicContact CB-CD1 3.79Å; K151-I370 HydrophobicContact CD-CD1 4.07Å; K151-I370 HydrophobicContact CG-CD1 4.23Å; L341-I370 HydrophobicContact CD2-CB 3.96Å; L341-I370 HydrophobicContact CD2-CG2 3.67Å; S368-I370 VanDerWaalsContact C-N 3.34Å; S368-I370 WeakPolarHBondContact CB-O 3.33Å; S368-I370 PolarHBondContact OG-N 3.22Å; S368-I370 PolarHBondContact OG-O 3.41Å; I370-V395 HydrophobicContact CD1-CB 4.03Å; I370-V395 HydrophobicContact CD1-CG1 4.1Å; I370-V397 HydrophobicContact CG2-CG2 4.15Å
371	G	98.3	Very high	93.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	169.9	179.6	0	0	0	0	0	112.4	F388 V395 W396 V397	G371-F388 CarbonylContact C-O 3.52Å; G371-F388 WeakPolarHBondContact CA-O 3.47Å; G371-V395 PolarHBondContact N-O 2.83Å; G371-W396 CarbonylContact O-C 3.53Å; G371-W396 WeakPolarHBondContact O-CA 3.48Å; G371-V397 PolarHBondContact O-N 3.4Å
372	F	98.6	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.5	171.9	-174.2	-98.6	0	0	0	108.3	F37 I337 L341 V349 T374 V384 F388 V397 L404	F37-F372 HydrophobicContact CE1-CE1 4.03Å; F37-F372 HydrophobicContact CE1-CZ 4.16Å; F37-F372 HydrophobicContact CZ-CE1 4.15Å; F37-F372 AromaticContact CZ-CZ 3.92Å; F37-F372 HydrophobicContact CZ-CZ 3.92Å; I337-F372 HydrophobicContact CG2-CD2 4.38Å; I337-F372 HydrophobicContact CG2-CE2 4.1Å; L341-F372 HydrophobicContact CD1-CB 4.27Å; L341-F372 HydrophobicContact CD1-CD2 4.03Å; V349-F372 HydrophobicContact CB-CD1 4.46Å; V349-F372 HydrophobicContact CG1-CD1 4.03Å; V349-F372 HydrophobicContact CG1-CE1 4.08Å; F372-T374 HydrophobicContact CE1-CG2 3.74Å; F372-T374 HydrophobicContact CZ-CG2 4.47Å; F372-V384 VanDerWaalsContact O-CG1 3.28Å; F372-V384 WeakPolarHBondContact O-CG1 3.16Å; F372-F388 HydrophobicContact CB-CB 4.01Å; F372-F388 HydrophobicContact CB-CD1 3.93Å; F372-F388 HydrophobicContact CB-CD2 3.7Å; F372-F388 HydrophobicContact CB-CE1 4.27Å; F372-F388 HydrophobicContact CB-CE2 4.02Å; F372-F388 HydrophobicContact CB-CG 3.65Å; F372-F388 HydrophobicContact CB-CZ 4.31Å; F372-F388 HydrophobicContact CG-CD2 4.46Å; F372-F388 PolarHBondContact N-O 3.3Å; F372-F388 VanDerWaalsContact N-O 3.11Å; F372-V397 WeakPolarHBondContact CA-O 3.45Å; F372-V397 HydrophobicContact CD2-CB 4.1Å; F372-V397 HydrophobicContact CD2-CG1 4.05Å; F372-V397 HydrophobicContact CE2-CG1 4.13Å; F372-L404 HydrophobicContact CE2-CD2 3.94Å
373	I	98	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.9	170.6	56.8	177.6	0	0	0	108.1	W396 V397 M398 G399 L407 K543	I373-W396 HydrophobicContact CD1-CB 4.45Å; I373-W396 HydrophobicContact CG1-CB 4.27Å; I373-V397 PolarHBondContact N-O 2.81Å; I373-M398 HydrophobicContact CD1-CE 3.86Å; I373-M398 HydrophobicContact CD1-CG 4Å; I373-M398 HydrophobicContact CG1-CB 4.39Å; I373-M398 HydrophobicContact CG1-CE 4.41Å; I373-M398 HydrophobicContact CG1-CG 3.85Å; I373-M398 CarbonylContact O-C 3.55Å; I373-M398 VanDerWaalsContact O-CA 3.26Å; I373-M398 WeakPolarHBondContact O-CA 3.19Å; I373-G399 PolarHBondContact O-N 2.98Å; I373-L407 HydrophobicContact CD1-CD2 4.3Å; I373-K543 HydrophobicContact CG2-CB 4.18Å
374	T	97.2	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	145.3	-175.6	178.2	0	0	0	0	112.6	F372 M376 E377 V384 G399 C539	F372-T374 HydrophobicContact CE1-CG2 3.74Å; F372-T374 HydrophobicContact CZ-CG2 4.47Å; T374-M376 HydrophobicContact CG2-CB 3.92Å; T374-M376 PolarHBondContact O-N 3.25Å; T374-M376 WeakPolarHBondContact OG1-CB 3.27Å; T374-M376 WeakPolarHBondContact OG1-CG 3.41Å; T374-M376 PolarHBondContact OG1-N 3.29Å; T374-M376 VanDerWaalsContact OG1-N 3.15Å; T374-E377 HydrophobicContact CG2-CB 4.4Å; T374-E377 WeakPolarHBondContact O-CB 3.4Å; T374-E377 PolarHBondContact O-N 3.35Å; T374-E377 VanDerWaalsContact O-N 3.17Å; T374-V384 HydrophobicContact CG2-CG2 3.86Å; T374-G399 CarbonylContact C-O 3.51Å; T374-G399 VanDerWaalsContact CA-O 3.24Å; T374-G399 WeakPolarHBondContact CA-O 3.34Å; T374-G399 WeakPolarHBondContact CB-O 3.21Å; T374-G399 PolarHBondContact OG1-O 3.41Å; T374-C539 VanDerWaalsContact C-SG 3.58Å
375	L	94.1	Very high	93.8	Very high	29 Å²	29	39 Å²	39	15%	0.152	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-25.6	171.2	-172	65	0	0	0	112.2	E377 E378 M379 G399 P535 T538	L375-E377 PolarHBondContact O-N 3Å; L375-E378 PolarHBondContact O-N 3.22Å; L375-M379 HydrophobicContact CG-CE 4.26Å; L375-M379 PolarHBondContact O-N 3.21Å; L375-G399 PolarHBondContact N-O 3.32Å; L375-P535 HydrophobicContact CD2-CB 4.13Å; L375-T538 HydrophobicContact CD1-CG2 3.52Å
376	M	92.6	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-25.4	177.6	-61.8	-62.5	-164.6	0	0	113.5	S34 M35 F37 T374 M379 R380 Y381 D401	S34-M376 WeakPolarHBondContact OG-CE 3.5Å; S34-M376 PolarHBondContact OG-SD 3.18Å; M35-M376 HydrophobicContact CB-CE 3.96Å; F37-M376 HydrophobicContact CD2-CB 4.16Å; F37-M376 HydrophobicContact CD2-CE 4.23Å; F37-M376 HydrophobicContact CD2-CG 3.67Å; F37-M376 HydrophobicContact CE2-CB 4.21Å; F37-M376 HydrophobicContact CE2-CE 4.13Å; F37-M376 HydrophobicContact CE2-CG 3.51Å; F37-M376 HydrophobicContact CZ-CG 4.41Å; T374-M376 HydrophobicContact CG2-CB 3.92Å; T374-M376 PolarHBondContact O-N 3.25Å; T374-M376 WeakPolarHBondContact OG1-CB 3.27Å; T374-M376 WeakPolarHBondContact OG1-CG 3.41Å; T374-M376 PolarHBondContact OG1-N 3.29Å; T374-M376 VanDerWaalsContact OG1-N 3.15Å; M376-M379 HydrophobicContact CE-CE 4.48Å; M376-M379 HydrophobicContact CG-CE 4.28Å; M376-M379 CarbonylContact O-C 3.56Å; M376-M379 PolarHBondContact O-N 2.56Å; M376-M379 HydrophobicContact SD-CE 3.2Å; M376-M379 WeakPolarHBondContact SD-CE 3.04Å; M376-R380 PolarHBondContact O-N 3.25Å; M376-Y381 PolarHBondContact O-N 3.3Å; M376-Y381 HydrophobicContact SD-CD2 3.99Å; M376-D401 VanDerWaalsContact CE-CA 3.5Å; M376-D401 HydrophobicContact CE-CB 4.28Å
377	E	93.9	Very high	93.7	Very high	25 Å²	25	35.1 Å²	35.1	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-67.6	-42.9	176.6	178.6	170.2	-153.7	0	0	111.3	T374 L375 M379 R380 C382 V384 K389 T542	T374-E377 HydrophobicContact CG2-CB 4.4Å; T374-E377 WeakPolarHBondContact O-CB 3.4Å; T374-E377 PolarHBondContact O-N 3.35Å; T374-E377 VanDerWaalsContact O-N 3.17Å; L375-E377 PolarHBondContact O-N 3Å; E377-M379 VanDerWaalsContact C-N 3.32Å; E377-M379 PolarHBondContact O-N 3.23Å; E377-R380 PolarHBondContact O-N 2.96Å; E377-R380 VanDerWaalsContact O-N 3.1Å; E377-C382 WeakPolarHBondContact CA-O 3.4Å; E377-V384 HydrophobicContact CB-CG2 4.3Å; E377-V384 PolarHBondContact OE1-N 2.87Å; E377-K389 VanDerWaalsContact CD-NZ 3.28Å; E377-K389 VanDerWaalsContact OE1-CE 3.27Å; E377-K389 WeakPolarHBondContact OE1-CE 3.43Å; E377-K389 IonicContact OE1-NZ 3.87Å; E377-K389 PolarHBondContact OE1-NZ 3.17Å; E377-K389 WeakPolarHBondContact OE2-CE 3.24Å; E377-K389 IonicContact OE2-NZ 3.93Å; E377-K389 PolarHBondContact OE2-NZ 3.44Å; E377-T542 HydrophobicContact CB-CG2 4.17Å; E377-T542 HydrophobicContact CG-CG2 4.43Å; E377-T542 WeakPolarHBondContact OE2-CB 3.24Å; E377-T542 PolarHBondContact OE2-OG1 3.42Å
378	E	90.4	Very high	93.7	Very high	64 Å²	64	33.2 Å²	33.2	30%	0.299	16%	0.156	S	C	.	.	H	α-helix	trans	-65.2	-39.6	175.3	179.2	55.2	-152	0	0	111.1	L375 R380 V530 T538 T542	L375-E378 PolarHBondContact O-N 3.22Å; E378-R380 PolarHBondContact O-N 2.84Å; E378-R380 VanDerWaalsContact O-N 3.08Å; E378-V530 HydrophobicContact CG-CG1 4.26Å; E378-V530 WeakPolarHBondContact OE1-CG2 3.47Å; E378-T538 HydrophobicContact CB-CG2 3.9Å; E378-T538 HydrophobicContact CG-CG2 3.6Å; E378-T542 HydrophobicContact CB-CG2 4.18Å
379	M	87.5	Confident	93.6	Very high	86 Å²	86	34.8 Å²	34.8	42%	0.424	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	4.7	175.5	-62.9	-171.8	-66.3	0	0	113.9	L375 M376 E377 Y381	L375-M379 HydrophobicContact CG-CE 4.26Å; L375-M379 PolarHBondContact O-N 3.21Å; M376-M379 HydrophobicContact CE-CE 4.48Å; M376-M379 HydrophobicContact CG-CE 4.28Å; M376-M379 CarbonylContact O-C 3.56Å; M376-M379 PolarHBondContact O-N 2.56Å; M376-M379 HydrophobicContact SD-CE 3.2Å; M376-M379 WeakPolarHBondContact SD-CE 3.04Å; E377-M379 VanDerWaalsContact C-N 3.32Å; E377-M379 PolarHBondContact O-N 3.23Å; M379-Y381 HydrophobicContact CB-CD2 3.54Å; M379-Y381 HydrophobicContact CB-CE2 3.7Å; M379-Y381 HydrophobicContact CE-CD2 4.25Å; M379-Y381 HydrophobicContact CE-CE2 4.3Å; M379-Y381 PolarHBondContact O-N 3.15Å; M379-Y381 HydrophobicContact SD-CE2 4.33Å
380	R	88.4	Confident	93.5	Very high	202 Å²	202	34.4 Å²	34.4	76%	0.762	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	19.6	176.9	-52.1	-58.7	-174.3	136.3	4.4	115.2	M376 E377 E378	M376-R380 PolarHBondContact O-N 3.25Å; E377-R380 PolarHBondContact O-N 2.96Å; E377-R380 VanDerWaalsContact O-N 3.1Å; E378-R380 PolarHBondContact O-N 2.84Å; E378-R380 VanDerWaalsContact O-N 3.08Å
381	Y	87.7	Confident	93.4	Very high	116 Å²	116	34.4 Å²	34.4	46%	0.455	16%	0.16	S	C	.	.	S	Bend	trans	-79.1	-24.4	174.2	-71.2	-70	0	0	0	112.9	S39 M376 M379	S39-Y381 WeakPolarHBondContact CB-O 3.35Å; S39-Y381 PolarHBondContact OG-O 2.77Å; M376-Y381 PolarHBondContact O-N 3.3Å; M376-Y381 HydrophobicContact SD-CD2 3.99Å; M379-Y381 HydrophobicContact CB-CD2 3.54Å; M379-Y381 HydrophobicContact CB-CE2 3.7Å; M379-Y381 HydrophobicContact CE-CD2 4.25Å; M379-Y381 HydrophobicContact CE-CE2 4.3Å; M379-Y381 PolarHBondContact O-N 3.15Å; M379-Y381 HydrophobicContact SD-CE2 4.33Å
382	C	90.1	Very high	93.3	Very high	15 Å²	15	39.4 Å²	39.4	10%	0.101	18%	0.179	C	C	.	.			trans	-150.9	170.4	176.1	67.6	0	0	0	0	111.1	V349 E377	V349-C382 HydrophobicContact CG2-CB 4.17Å; E377-C382 WeakPolarHBondContact CA-O 3.4Å
383	T	90.4	Very high	93.2	Very high	81 Å²	81	42.5 Å²	42.5	50%	0.497	19%	0.191	S	C	.	.			trans	-123.1	123.2	166.9	-65	0	0	0	0	107.8	W350	W350-T383 PolarHBondContact N-O 3.29Å
384	V	94.1	Very high	93.2	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	19%	0.192	C	C	.	.			trans	-85.2	129.7	177.9	-177	0	0	0	0	108.9	V349 F372 T374 E377 F388 K389	V349-V384 HydrophobicContact CG2-CB 4.49Å; V349-V384 HydrophobicContact CG2-CG2 3.92Å; F372-V384 VanDerWaalsContact O-CG1 3.28Å; F372-V384 WeakPolarHBondContact O-CG1 3.16Å; T374-V384 HydrophobicContact CG2-CG2 3.86Å; E377-V384 HydrophobicContact CB-CG2 4.3Å; E377-V384 PolarHBondContact OE1-N 2.87Å; V384-F388 HydrophobicContact CG1-CB 3.72Å; V384-K389 HydrophobicContact CB-CG 4.37Å; V384-K389 HydrophobicContact CG1-CG 3.93Å; V384-K389 WeakPolarHBondContact O-CE 3.2Å
385	G	92	Very high	93.2	Very high	5 Å²	5	42.6 Å²	42.6	5%	0.052	19%	0.192	C	C	.	.			trans	-75.7	165.2	-178.2	0	0	0	0	0	114	V349 D351 F387 F388 K389	V349-G385 PolarHBondContact O-N 3.34Å; D351-G385 VanDerWaalsContact CG-CA 3.49Å; D351-G385 VanDerWaalsContact OD1-C 3.24Å; D351-G385 WeakPolarHBondContact OD1-CA 3.43Å; D351-G385 WeakPolarHBondContact OD2-CA 3.23Å; G385-F387 PolarHBondContact O-N 3.13Å; G385-F388 PolarHBondContact O-N 3.35Å; G385-K389 WeakPolarHBondContact O-CG 3.45Å; G385-K389 PolarHBondContact O-N 2.75Å
386	S	91.4	Very high	93.5	Very high	18 Å²	18	41.2 Å²	41.2	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-33.1	177.7	71.9	0	0	0	0	111.8	D351 F388 K389 N390 E418	D351-S386 VanDerWaalsContact CG-N 3.29Å; D351-S386 PolarHBondContact OD1-N 2.86Å; D351-S386 VanDerWaalsContact OD1-N 3.08Å; D351-S386 PolarHBondContact OD2-N 3.06Å; D351-S386 PolarHBondContact OD2-OG 3.05Å; D351-S386 VanDerWaalsContact OD2-OG 3.13Å; S386-F388 VanDerWaalsContact C-N 3.26Å; S386-F388 PolarHBondContact O-N 3.19Å; S386-K389 PolarHBondContact O-N 3.31Å; S386-N390 WeakPolarHBondContact O-CB 3.37Å; S386-N390 PolarHBondContact O-N 3.03Å; S386-E418 PolarHBondContact OG-OE1 3.19Å
387	F	94.1	Very high	93.8	Very high	20 Å²	20	41.2 Å²	41.2	9%	0.088	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-28	-178.8	-64.5	-21.6	0	0	0	113.8	D351 I364 E366 Q367 S368 G385	D351-F387 HydrophobicContact CB-CD2 3.77Å; D351-F387 HydrophobicContact CB-CE2 3.76Å; D351-F387 HydrophobicContact CB-CG 4.38Å; D351-F387 HydrophobicContact CB-CZ 4.36Å; D351-F387 VanDerWaalsContact OD1-CB 3.27Å; D351-F387 WeakPolarHBondContact OD1-CB 3.47Å; D351-F387 VanDerWaalsContact OD1-CD2 3.31Å; D351-F387 WeakPolarHBondContact OD1-CD2 3.21Å; D351-F387 VanDerWaalsContact OD1-CG 3.23Å; D351-F387 WeakPolarHBondContact OD1-CG 3.24Å; D351-F387 PolarHBondContact OD1-N 3.49Å; I364-F387 HydrophobicContact CB-CD2 4.44Å; I364-F387 HydrophobicContact CG2-CB 3.95Å; I364-F387 HydrophobicContact CG2-CD2 4.22Å; I364-F387 WeakPolarHBondContact O-CD2 3.06Å; I364-F387 WeakPolarHBondContact O-CE2 3.24Å; E366-F387 WeakPolarHBondContact O-CB 3.43Å; Q367-F387 HydrophobicContact CB-CD1 4.4Å; S368-F387 PolarHBondContact N-O 3.38Å; G385-F387 PolarHBondContact O-N 3.13Å
388	F	96.3	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-95	-31.8	173.1	-88.9	-27.2	0	0	0	113.4	N338 L341 T342 V349 I364 G371 F372 V384 G385 S386 N390	N338-F388 WeakPolarHBondContact OD1-CE2 3.43Å; N338-F388 WeakPolarHBondContact OD1-CZ 3.38Å; L341-F388 HydrophobicContact CB-CE1 4.41Å; L341-F388 HydrophobicContact CD1-CE1 4.3Å; L341-F388 HydrophobicContact CD1-CZ 4.25Å; T342-F388 HydrophobicContact CG2-CE1 3.58Å; T342-F388 HydrophobicContact CG2-CZ 3.74Å; V349-F388 HydrophobicContact CB-CD2 4Å; V349-F388 HydrophobicContact CB-CE2 4.15Å; V349-F388 HydrophobicContact CG1-CD2 4.3Å; V349-F388 HydrophobicContact CG1-CE2 4.01Å; I364-F388 HydrophobicContact CD1-CD2 4.23Å; I364-F388 HydrophobicContact CD1-CE1 4.31Å; I364-F388 HydrophobicContact CD1-CE2 3.38Å; I364-F388 HydrophobicContact CD1-CZ 3.42Å; I364-F388 VanDerWaalsContact CD1-CZ 3.42Å; I364-F388 HydrophobicContact CG1-CD2 3.63Å; I364-F388 HydrophobicContact CG1-CE1 4.34Å; I364-F388 HydrophobicContact CG1-CE2 3.31Å; I364-F388 HydrophobicContact CG1-CG 4.29Å; I364-F388 HydrophobicContact CG1-CZ 3.7Å; G371-F388 CarbonylContact C-O 3.52Å; G371-F388 WeakPolarHBondContact CA-O 3.47Å; F372-F388 HydrophobicContact CB-CB 4.01Å; F372-F388 HydrophobicContact CB-CD1 3.93Å; F372-F388 HydrophobicContact CB-CD2 3.7Å; F372-F388 HydrophobicContact CB-CE1 4.27Å; F372-F388 HydrophobicContact CB-CE2 4.02Å; F372-F388 HydrophobicContact CB-CG 3.65Å; F372-F388 HydrophobicContact CB-CZ 4.31Å; F372-F388 HydrophobicContact CG-CD2 4.46Å; F372-F388 PolarHBondContact N-O 3.3Å; F372-F388 VanDerWaalsContact N-O 3.11Å; V384-F388 HydrophobicContact CG1-CB 3.72Å; G385-F388 PolarHBondContact O-N 3.35Å; S386-F388 VanDerWaalsContact C-N 3.26Å; S386-F388 PolarHBondContact O-N 3.19Å; F388-N390 VanDerWaalsContact C-N 3.34Å
389	K	95	Very high	94.2	Very high	40 Å²	40	37 Å²	37	17%	0.174	17%	0.165	C	C	.	.	H	α-helix	trans	-69.3	-34.8	174.7	-72.1	-172.7	-179.3	-173.1	0	111.9	E377 V384 G385 S386 P391 W396 T542 K543	E377-K389 VanDerWaalsContact CD-NZ 3.28Å; E377-K389 VanDerWaalsContact OE1-CE 3.27Å; E377-K389 WeakPolarHBondContact OE1-CE 3.43Å; E377-K389 IonicContact OE1-NZ 3.87Å; E377-K389 PolarHBondContact OE1-NZ 3.17Å; E377-K389 WeakPolarHBondContact OE2-CE 3.24Å; E377-K389 IonicContact OE2-NZ 3.93Å; E377-K389 PolarHBondContact OE2-NZ 3.44Å; V384-K389 HydrophobicContact CB-CG 4.37Å; V384-K389 HydrophobicContact CG1-CG 3.93Å; V384-K389 WeakPolarHBondContact O-CE 3.2Å; G385-K389 WeakPolarHBondContact O-CG 3.45Å; G385-K389 PolarHBondContact O-N 2.75Å; S386-K389 PolarHBondContact O-N 3.31Å; K389-P391 WeakPolarHBondContact O-CD 3.43Å; K389-W396 PolarHBondContact O-NE1 3.46Å; K389-T542 WeakPolarHBondContact CE-O 3.47Å; K389-T542 PolarHBondContact NZ-O 3.15Å; K389-K543 WeakPolarHBondContact O-CD 3.37Å; K389-K543 VanDerWaalsContact O-CE 3.29Å; K389-K543 WeakPolarHBondContact O-CE 3.21Å; K389-K543 PolarHBondContact O-NZ 3.48Å
390	N	94.3	Very high	94.5	Very high	17 Å²	17	33 Å²	33	9%	0.091	15%	0.146	C	C	.	.	S	Bend	trans	-117.4	71.7	-180	-59.5	-45.3	0	0	0	109.9	Q367 S386 F388 E422 K543	Q367-N390 WeakPolarHBondContact CG-O 3.01Å; Q367-N390 PolarHBondContact NE2-O 3.02Å; S386-N390 WeakPolarHBondContact O-CB 3.37Å; S386-N390 PolarHBondContact O-N 3.03Å; F388-N390 VanDerWaalsContact C-N 3.34Å; N390-E422 PolarHBondContact ND2-OE1 3.37Å; N390-K543 PolarHBondContact OD1-NZ 2.83Å
391	P	96.9	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.			trans	-66.5	167.9	175	29.8	-36.8	0	0	0	112.3	S368 K389 Y393 W396 V415	S368-P391 CarbonylContact O-C 3.59Å; S368-P391 WeakPolarHBondContact O-CA 3.41Å; S368-P391 WeakPolarHBondContact O-CB 3.31Å; K389-P391 WeakPolarHBondContact O-CD 3.43Å; P391-Y393 WeakPolarHBondContact CG-O 3.45Å; P391-Y393 PolarHBondContact O-N 3.5Å; P391-W396 HydrophobicContact CG-CD2 4.36Å; P391-W396 HydrophobicContact CG-CZ2 4Å; P391-V415 HydrophobicContact CG-CG1 3.99Å; P391-V415 WeakPolarHBondContact O-CB 3.41Å; P391-V415 VanDerWaalsContact O-CG1 3.29Å; P391-V415 WeakPolarHBondContact O-CG1 3.26Å
392	R	96.1	Very high	94.4	Very high	105 Å²	105	22.9 Å²	22.9	40%	0.396	12%	0.117	S	C	.	.	S	Bend	trans	-66.1	-24.8	177.1	-60.1	-174.8	-174.2	112.4	1.6	113	E366 Q367 S368 D369	E366-R392 IonicContact OE1-NH2 2.76Å; E366-R392 PolarHBondContact OE1-NH2 3.4Å; Q367-R392 HydrophobicContact CG-CG 4.01Å; Q367-R392 PolarHBondContact O-NH1 2.97Å; Q367-R392 PolarHBondContact O-NH2 3.09Å; S368-R392 PolarHBondContact O-N 3.4Å; D369-R392 WeakPolarHBondContact OD1-CD 3.43Å; D369-R392 IonicContact OD1-CZ 2.74Å; D369-R392 IonicContact OD1-NH1 2.61Å; D369-R392 PolarHBondContact OD1-NH1 3.28Å
393	Y	96.9	Very high	94.7	Very high	64 Å²	64	22.4 Å²	22.4	25%	0.251	11%	0.113	S	C	.	.	S	Bend	trans	-127.5	144.2	178.8	-55.9	-72.6	0	0	0	110	K151 M155 D369 P391 V395	K151-Y393 HydrophobicContact CD-CD2 3.54Å; K151-Y393 HydrophobicContact CD-CE2 3.85Å; K151-Y393 HydrophobicContact CD-CG 4.22Å; K151-Y393 HydrophobicContact CG-CD1 4.46Å; K151-Y393 HydrophobicContact CG-CD2 3.59Å; K151-Y393 HydrophobicContact CG-CE2 4.19Å; K151-Y393 HydrophobicContact CG-CG 3.73Å; M155-Y393 HydrophobicContact CE-CD1 4.36Å; M155-Y393 HydrophobicContact CE-CE1 3.38Å; M155-Y393 VanDerWaalsContact CE-OH 3.24Å; M155-Y393 WeakPolarHBondContact CE-OH 3.22Å; M155-Y393 HydrophobicContact CG-CD1 3.74Å; M155-Y393 HydrophobicContact CG-CE1 3.7Å; M155-Y393 HydrophobicContact SD-CD1 3.52Å; M155-Y393 VanDerWaalsContact SD-CD1 3.52Å; M155-Y393 HydrophobicContact SD-CD2 4.34Å; M155-Y393 HydrophobicContact SD-CE1 3.04Å; M155-Y393 WeakPolarHBondContact SD-CE1 3.16Å; M155-Y393 HydrophobicContact SD-CE2 3.91Å; M155-Y393 HydrophobicContact SD-CG 4.15Å; D369-Y393 HydrophobicContact CB-CD2 4.13Å; D369-Y393 HydrophobicContact CB-CE2 4.3Å; D369-Y393 WeakPolarHBondContact O-CD2 3.15Å; D369-Y393 PolarHBondContact O-N 3.05Å; P391-Y393 WeakPolarHBondContact CG-O 3.45Å; P391-Y393 PolarHBondContact O-N 3.5Å; Y393-V395 PolarHBondContact O-N 3.06Å
394	P	97.2	Very high	95.1	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.019	9%	0.09	C	C	.	.	S	Bend	trans	-72.7	61.9	-176.9	32.6	-38.9	0	0	0	112.4	W396 F408 S409 L414 V415	P394-W396 VanDerWaalsContact CA-CH2 3.47Å; P394-W396 HydrophobicContact CB-CH2 3.79Å; P394-W396 HydrophobicContact CB-CZ3 3.91Å; P394-W396 WeakPolarHBondContact O-CZ3 3.47Å; P394-F408 CarbonylContact O-C 3.52Å; P394-F408 WeakPolarHBondContact O-CA 3.26Å; P394-S409 WeakPolarHBondContact CG-O 3.41Å; P394-S409 PolarHBondContact O-N 2.85Å; P394-L414 HydrophobicContact CB-CB 4.4Å; P394-V415 HydrophobicContact CB-CG1 4.29Å; P394-V415 HydrophobicContact CB-CG2 4.47Å
395	V	98.6	Very high	95.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.2	179.1	-172.6	0	0	0	0	108	A147 L150 K151 I154 I370 G371 Y393 V406 L407 F408	A147-V395 HydrophobicContact CB-CG1 3.77Å; L150-V395 HydrophobicContact CB-CG1 4.5Å; K151-V395 HydrophobicContact CB-CG2 4.38Å; I154-V395 HydrophobicContact CD1-CG2 3.66Å; I370-V395 HydrophobicContact CD1-CB 4.03Å; I370-V395 HydrophobicContact CD1-CG1 4.1Å; G371-V395 PolarHBondContact N-O 2.83Å; Y393-V395 PolarHBondContact O-N 3.06Å; V395-V406 HydrophobicContact CG1-CG1 3.85Å; V395-L407 CarbonylContact C-O 3.6Å; V395-L407 WeakPolarHBondContact CA-O 3.38Å; V395-F408 HydrophobicContact CB-CB 4.37Å; V395-F408 HydrophobicContact CG1-CB 4.24Å; V395-F408 HydrophobicContact CG2-CB 4.02Å
396	W	98.7	Very high	95.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.5	-179.8	-61.2	-99.3	0	0	0	110.5	G371 I373 K389 P391 P394 V406 L407 L414 V415 K543 W544	G371-W396 CarbonylContact O-C 3.53Å; G371-W396 WeakPolarHBondContact O-CA 3.48Å; I373-W396 HydrophobicContact CD1-CB 4.45Å; I373-W396 HydrophobicContact CG1-CB 4.27Å; K389-W396 PolarHBondContact O-NE1 3.46Å; P391-W396 HydrophobicContact CG-CD2 4.36Å; P391-W396 HydrophobicContact CG-CZ2 4Å; P394-W396 VanDerWaalsContact CA-CH2 3.47Å; P394-W396 HydrophobicContact CB-CH2 3.79Å; P394-W396 HydrophobicContact CB-CZ3 3.91Å; P394-W396 WeakPolarHBondContact O-CZ3 3.47Å; W396-V406 WeakPolarHBondContact O-CA 3.37Å; W396-L407 HydrophobicContact CE3-CD2 4.32Å; W396-L407 PolarHBondContact N-O 2.78Å; W396-L407 PolarHBondContact O-N 3.11Å; W396-L414 HydrophobicContact CH2-CB 4.03Å; W396-L414 HydrophobicContact CH2-CD1 4.47Å; W396-V415 HydrophobicContact CH2-CG1 3.79Å; W396-V415 HydrophobicContact CZ2-CG1 3.48Å; W396-V415 VanDerWaalsContact CZ2-CG1 3.48Å; W396-K543 HydrophobicContact CZ2-CD 4.11Å; W396-K543 VanDerWaalsContact CZ2-CE 3.43Å; W396-W544 HydrophobicContact CH2-CH2 4.12Å; W396-W544 HydrophobicContact CH2-CZ2 4.3Å; W396-W544 HydrophobicContact CZ3-CH2 4.24Å
397	V	98.7	Very high	95.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.5	159.3	173.4	0	0	0	0	108	A143 A147 L341 I370 G371 F372 I373 L404 T405 V406	A143-V397 HydrophobicContact CB-CG1 4.3Å; A147-V397 HydrophobicContact CB-CG2 3.9Å; L341-V397 HydrophobicContact CD2-CG2 3.85Å; I370-V397 HydrophobicContact CG2-CG2 4.15Å; G371-V397 PolarHBondContact O-N 3.4Å; F372-V397 WeakPolarHBondContact CA-O 3.45Å; F372-V397 HydrophobicContact CD2-CB 4.1Å; F372-V397 HydrophobicContact CD2-CG1 4.05Å; F372-V397 HydrophobicContact CE2-CG1 4.13Å; I373-V397 PolarHBondContact N-O 2.81Å; V397-L404 HydrophobicContact CG1-CB 4.08Å; V397-L404 HydrophobicContact CG1-CD2 3.77Å; V397-L404 HydrophobicContact CG1-CG 4.36Å; V397-T405 CarbonylContact C-O 3.5Å; V397-T405 WeakPolarHBondContact CA-O 3.41Å; V397-V406 HydrophobicContact CG2-CG2 4.43Å
398	M	98.2	Very high	96.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.6	177.3	-56.2	-176.3	79.9	0	0	110	I373 L404 T405 L407 M536 C539 L540 L559	I373-M398 HydrophobicContact CD1-CE 3.86Å; I373-M398 HydrophobicContact CD1-CG 4Å; I373-M398 HydrophobicContact CG1-CB 4.39Å; I373-M398 HydrophobicContact CG1-CE 4.41Å; I373-M398 HydrophobicContact CG1-CG 3.85Å; I373-M398 CarbonylContact O-C 3.55Å; I373-M398 VanDerWaalsContact O-CA 3.26Å; I373-M398 WeakPolarHBondContact O-CA 3.19Å; M398-L404 WeakPolarHBondContact O-CA 3.33Å; M398-T405 PolarHBondContact N-O 3.27Å; M398-T405 PolarHBondContact O-N 2.99Å; M398-L407 HydrophobicContact CG-CB 3.87Å; M398-L407 HydrophobicContact SD-CB 3.62Å; M398-L407 HydrophobicContact SD-CD1 4.15Å; M398-L407 HydrophobicContact SD-CD2 4.35Å; M398-L407 HydrophobicContact SD-CG 4.26Å; M398-M536 HydrophobicContact CE-SD 3.69Å; M398-M536 HydrophobicContact SD-SD 3.9Å; M398-C539 HydrophobicContact CE-CB 3.81Å; M398-C539 VanDerWaalsContact CE-SG 3.56Å; M398-L540 HydrophobicContact CE-CD2 3.95Å; M398-L540 HydrophobicContact CE-CG 4.2Å; M398-L559 HydrophobicContact CB-CD2 3.97Å; M398-L559 HydrophobicContact CE-CD2 3.87Å; M398-L559 HydrophobicContact SD-CD2 3.93Å
399	G	96.2	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125	175.1	0	0	0	0	0	113.4	I373 T374 L375	I373-G399 PolarHBondContact O-N 2.98Å; T374-G399 CarbonylContact C-O 3.51Å; T374-G399 VanDerWaalsContact CA-O 3.24Å; T374-G399 WeakPolarHBondContact CA-O 3.34Å; T374-G399 WeakPolarHBondContact CB-O 3.21Å; T374-G399 PolarHBondContact OG1-O 3.41Å; L375-G399 PolarHBondContact N-O 3.32Å
400	S	93	Very high	96.1	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	10%	0.098	C	C	.	.			trans	-89.4	-159.5	164.5	76.4	0	0	0	0	110.9	T402 H403 N560	S400-T402 VanDerWaalsContact C-N 3.34Å; S400-T402 PolarHBondContact OG-N 3.05Å; S400-H403 PolarHBondContact N-O 3.2Å; S400-H403 PolarHBondContact OG-N 3.05Å; S400-H403 PolarHBondContact OG-O 3.14Å; S400-H403 VanDerWaalsContact OG-O 3.12Å; S400-N560 WeakPolarHBondContact CB-OD1 3.32Å; S400-N560 PolarHBondContact OG-OD1 3.32Å
401	D	86.5	Confident	96.1	Very high	44 Å²	44	21.6 Å²	21.6	24%	0.235	10%	0.104	C	C	.	.	S	Bend	trans	-67.2	-32.3	170.7	62.3	-12.8	0	0	0	113.8	M35 M376 N560	M35-D401 WeakPolarHBondContact CB-O 3.21Å; M35-D401 VanDerWaalsContact CG-O 3.31Å; M35-D401 WeakPolarHBondContact CG-O 3.28Å; M35-D401 PolarHBondContact N-O 3.21Å; M376-D401 VanDerWaalsContact CE-CA 3.5Å; M376-D401 HydrophobicContact CE-CB 4.28Å; D401-N560 PolarHBondContact OD1-ND2 3.02Å; D401-N560 PolarHBondContact OD1-OD1 2.82Å
402	T	88.5	Confident	95.9	Very high	62 Å²	62	28.4 Å²	28.4	38%	0.38	13%	0.134	S	C	.	.	S	Bend	trans	-143.8	-5.3	-166.7	54.7	0	0	0	0	114.6	S400	S400-T402 VanDerWaalsContact C-N 3.34Å; S400-T402 PolarHBondContact OG-N 3.05Å
403	H	95.7	Very high	95.8	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.019	14%	0.139	C	C	.	.			trans	-139.4	160.6	-175.8	-170.4	44	0	0	0	113	Q133 S400 N502 I504 N560	Q133-H403 PolarHBondContact OE1-CE1 3.31Å; S400-H403 PolarHBondContact N-O 3.2Å; S400-H403 PolarHBondContact OG-N 3.05Å; S400-H403 PolarHBondContact OG-O 3.14Å; S400-H403 VanDerWaalsContact OG-O 3.12Å; H403-N502 PolarHBondContact NE2-OD1 3.31Å; H403-I504 WeakPolarHBondContact CE1-CD1 3.32Å; H403-N560 PolarHBondContact CD2-OXT 3.11Å
404	L	98.1	Very high	95.7	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.2	176.1	-62.4	164	0	0	0	109.9	M35 C139 A140 A143 I337 F372 V397 M398	M35-L404 HydrophobicContact CE-CG 4.31Å; C139-L404 HydrophobicContact CB-CB 4.02Å; C139-L404 HydrophobicContact CB-CD1 4.4Å; C139-L404 HydrophobicContact CB-CG 4.49Å; A140-L404 HydrophobicContact CB-CD1 4.27Å; A143-L404 HydrophobicContact CB-CB 3.64Å; I337-L404 HydrophobicContact CD1-CD1 3.71Å; I337-L404 HydrophobicContact CD1-CD2 4.22Å; I337-L404 HydrophobicContact CD1-CG 4.49Å; I337-L404 HydrophobicContact CG1-CD1 3.89Å; F372-L404 HydrophobicContact CE2-CD2 3.94Å; V397-L404 HydrophobicContact CG1-CB 4.08Å; V397-L404 HydrophobicContact CG1-CD2 3.77Å; V397-L404 HydrophobicContact CG1-CG 4.36Å; M398-L404 WeakPolarHBondContact O-CA 3.33Å
405	T	98.1	Very high	95.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	176.3	175.5	59.8	0	0	0	0	109.8	V397 M398 H500 Y501 N502 L559	V397-T405 CarbonylContact C-O 3.5Å; V397-T405 WeakPolarHBondContact CA-O 3.41Å; M398-T405 PolarHBondContact N-O 3.27Å; M398-T405 PolarHBondContact O-N 2.99Å; T405-H500 VanDerWaalsContact CB-NE2 3.26Å; T405-H500 WeakPolarHBondContact CB-NE2 3.4Å; T405-H500 PolarHBondContact OG1-NE2 3Å; T405-Y501 WeakPolarHBondContact CB-O 3.46Å; T405-N502 HydrophobicContact CG2-CB 3.87Å; T405-L559 WeakPolarHBondContact OG1-CD2 3.43Å
406	V	98.7	Very high	95.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.3	-179.8	-175.2	0	0	0	0	110.3	A143 Q146 A147 L150 V395 W396 V397 H500 Y501	A143-V406 HydrophobicContact CB-CG2 4.19Å; A143-V406 WeakPolarHBondContact O-CG2 3.49Å; Q146-V406 HydrophobicContact CB-CG2 4.26Å; Q146-V406 HydrophobicContact CG-CG2 4.34Å; A147-V406 HydrophobicContact CB-CG1 3.94Å; A147-V406 HydrophobicContact CB-CG2 4.2Å; L150-V406 HydrophobicContact CD1-CB 4.35Å; L150-V406 HydrophobicContact CD1-CG1 3.74Å; V395-V406 HydrophobicContact CG1-CG1 3.85Å; W396-V406 WeakPolarHBondContact O-CA 3.37Å; V397-V406 HydrophobicContact CG2-CG2 4.43Å; V406-H500 CarbonylContact O-C 3.47Å; V406-H500 WeakPolarHBondContact O-CA 3.37Å; V406-Y501 HydrophobicContact CB-CD1 3.9Å; V406-Y501 HydrophobicContact CG2-CD1 3.83Å; V406-Y501 HydrophobicContact CG2-CE1 4.32Å; V406-Y501 PolarHBondContact N-O 2.85Å; V406-Y501 PolarHBondContact O-N 3.42Å
407	L	98.5	Very high	94.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.3	170.9	-170.6	78.1	0	0	0	109.2	I373 V395 W396 M398 L498 M499 H500 L540 W544	I373-L407 HydrophobicContact CD1-CD2 4.3Å; V395-L407 CarbonylContact C-O 3.6Å; V395-L407 WeakPolarHBondContact CA-O 3.38Å; W396-L407 HydrophobicContact CE3-CD2 4.32Å; W396-L407 PolarHBondContact N-O 2.78Å; W396-L407 PolarHBondContact O-N 3.11Å; M398-L407 HydrophobicContact CG-CB 3.87Å; M398-L407 HydrophobicContact SD-CB 3.62Å; M398-L407 HydrophobicContact SD-CD1 4.15Å; M398-L407 HydrophobicContact SD-CD2 4.35Å; M398-L407 HydrophobicContact SD-CG 4.26Å; L407-L498 HydrophobicContact CD1-CB 4.15Å; L407-L498 HydrophobicContact CD1-CD1 4.31Å; L407-L498 HydrophobicContact CD1-CD2 4.4Å; L407-L498 HydrophobicContact CD2-CD1 4.26Å; L407-L498 HydrophobicContact CD2-CD2 4.1Å; L407-L498 HydrophobicContact CG-CD2 4.17Å; L407-M499 CarbonylContact C-O 3.56Å; L407-M499 WeakPolarHBondContact CA-O 3.24Å; L407-H500 HydrophobicContact CD1-CB 4.5Å; L407-L540 HydrophobicContact CD1-CD2 4.17Å; L407-L540 HydrophobicContact CD2-CD2 3.33Å; L407-L540 HydrophobicContact CG-CD2 4.38Å; L407-W544 HydrophobicContact CD2-CZ3 4.13Å
408	F	98.1	Very high	93.8	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	166.7	174.8	65.4	-77.8	0	0	0	112.5	L150 I154 L162 P394 V395 M499 Y515	L150-F408 HydrophobicContact CD1-CD1 3.58Å; L150-F408 HydrophobicContact CD1-CE1 3.73Å; L150-F408 HydrophobicContact CD1-CG 4.18Å; L150-F408 HydrophobicContact CD1-CZ 4.43Å; L150-F408 HydrophobicContact CD2-CD1 4.26Å; L150-F408 HydrophobicContact CD2-CD2 4.41Å; L150-F408 HydrophobicContact CD2-CE1 3.86Å; L150-F408 HydrophobicContact CD2-CE2 4.01Å; L150-F408 HydrophobicContact CD2-CZ 3.71Å; L150-F408 HydrophobicContact CG-CD1 4.42Å; L150-F408 HydrophobicContact CG-CE1 4.41Å; I154-F408 HydrophobicContact CD1-CB 4Å; I154-F408 HydrophobicContact CD1-CD2 3.71Å; I154-F408 HydrophobicContact CD1-CG 4.25Å; I154-F408 HydrophobicContact CG1-CD2 4.35Å; L162-F408 HydrophobicContact CD1-CE2 4.04Å; L162-F408 HydrophobicContact CD1-CZ 3.61Å; P394-F408 CarbonylContact O-C 3.52Å; P394-F408 WeakPolarHBondContact O-CA 3.26Å; V395-F408 HydrophobicContact CB-CB 4.37Å; V395-F408 HydrophobicContact CG1-CB 4.24Å; V395-F408 HydrophobicContact CG2-CB 4.02Å; F408-M499 HydrophobicContact CD1-CB 3.73Å; F408-M499 WeakPolarHBondContact CD1-O 3.26Å; F408-M499 HydrophobicContact CD2-CB 3.89Å; F408-M499 HydrophobicContact CD2-CG 4.29Å; F408-M499 HydrophobicContact CE1-CB 3.3Å; F408-M499 HydrophobicContact CE1-CG 4.39Å; F408-M499 HydrophobicContact CE2-CB 3.48Å; F408-M499 VanDerWaalsContact CE2-CB 3.48Å; F408-M499 HydrophobicContact CE2-CG 3.73Å; F408-M499 HydrophobicContact CG-CB 4.02Å; F408-M499 HydrophobicContact CZ-CB 3.17Å; F408-M499 HydrophobicContact CZ-CG 3.79Å; F408-M499 PolarHBondContact N-O 2.88Å; F408-M499 PolarHBondContact O-N 2.75Å; F408-Y515 AromaticContact CE1-CD1 3.86Å; F408-Y515 HydrophobicContact CE1-CD1 3.86Å; F408-Y515 HydrophobicContact CE1-CE1 4.02Å; F408-Y515 HydrophobicContact CZ-CD1 4.03Å; F408-Y515 HydrophobicContact CZ-CE1 4.2Å
409	S	96.8	Very high	93.2	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	19%	0.192	C	C	.	.			trans	-146	156.8	173.9	-171.9	0	0	0	0	111	P394 E411 L414 E497	P394-S409 WeakPolarHBondContact CG-O 3.41Å; P394-S409 PolarHBondContact O-N 2.85Å; S409-E411 VanDerWaalsContact C-N 3.3Å; S409-E411 WeakPolarHBondContact OG-CB 3.4Å; S409-E411 PolarHBondContact OG-N 2.83Å; S409-L414 VanDerWaalsContact CB-CD1 3.41Å; S409-E497 VanDerWaalsContact CB-O 3.31Å; S409-E497 WeakPolarHBondContact CB-O 3.06Å; S409-E497 PolarHBondContact OG-O 3.2Å
410	N	94.4	Very high	92.8	Very high	114 Å²	114	41.6 Å²	41.6	61%	0.61	22%	0.219	S	C	*	.	S	Bend	trans	-83	-9.5	166.2	-68.6	-41.4	0	0	0	112.4	K412	N410-K412 PolarHBondContact O-N 2.93Å
411	E	94.9	Very high	92.6	Very high	46 Å²	46	41.8 Å²	41.8	22%	0.215	22%	0.221	C	C	.	.			trans	-78.9	103.9	-179.7	178.7	54	-98.8	0	0	111	S409 R413 L414 P493 F496	S409-E411 VanDerWaalsContact C-N 3.3Å; S409-E411 WeakPolarHBondContact OG-CB 3.4Å; S409-E411 PolarHBondContact OG-N 2.83Å; E411-R413 VanDerWaalsContact CD-NE 3.29Å; E411-R413 HydrophobicContact CG-CB 4.27Å; E411-R413 PolarHBondContact O-N 3.13Å; E411-R413 WeakPolarHBondContact OE1-CB 3.12Å; E411-R413 WeakPolarHBondContact OE1-CG 3.21Å; E411-R413 IonicContact OE1-CZ 3.11Å; E411-R413 PolarHBondContact OE1-N 3.26Å; E411-R413 IonicContact OE1-NE 2.68Å; E411-R413 PolarHBondContact OE1-NE 2.82Å; E411-R413 IonicContact OE1-NH2 2.86Å; E411-R413 IonicContact OE2-CZ 2.89Å; E411-R413 IonicContact OE2-NE 3Å; E411-R413 PolarHBondContact OE2-NE 3.43Å; E411-R413 IonicContact OE2-NH2 3.61Å; E411-R413 PolarHBondContact OE2-NH2 2.79Å; E411-L414 HydrophobicContact CB-CD1 4.22Å; E411-L414 HydrophobicContact CB-CD2 4.39Å; E411-L414 HydrophobicContact CB-CG 3.87Å; E411-L414 HydrophobicContact CG-CD2 3.91Å; E411-L414 HydrophobicContact CG-CG 3.78Å; E411-L414 WeakPolarHBondContact O-CB 3.33Å; E411-L414 WeakPolarHBondContact O-CG 3.48Å; E411-L414 PolarHBondContact O-N 2.76Å; E411-P493 HydrophobicContact CG-CG 3.86Å; E411-F496 HydrophobicContact CB-CB 4.42Å; E411-F496 HydrophobicContact CG-CB 4.37Å
412	K	93.1	Very high	92.6	Very high	144 Å²	144	42 Å²	42	63%	0.626	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-68.2	-23.1	-178.8	-64.2	-176	-179.4	-179.7	0	112.8	N410 L414 V415	N410-K412 PolarHBondContact O-N 2.93Å; K412-L414 PolarHBondContact O-N 2.91Å; K412-V415 VanDerWaalsContact O-CG2 3.29Å; K412-V415 WeakPolarHBondContact O-CG2 3.48Å; K412-V415 PolarHBondContact O-N 3.08Å
413	R	93.6	Very high	92.6	Very high	130 Å²	130	40.8 Å²	40.8	49%	0.491	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-72	-9.2	179.2	-63.7	177.5	-69.1	161.3	-0.3	114	E411 V415 S491	E411-R413 VanDerWaalsContact CD-NE 3.29Å; E411-R413 HydrophobicContact CG-CB 4.27Å; E411-R413 PolarHBondContact O-N 3.13Å; E411-R413 WeakPolarHBondContact OE1-CB 3.12Å; E411-R413 WeakPolarHBondContact OE1-CG 3.21Å; E411-R413 IonicContact OE1-CZ 3.11Å; E411-R413 PolarHBondContact OE1-N 3.26Å; E411-R413 IonicContact OE1-NE 2.68Å; E411-R413 PolarHBondContact OE1-NE 2.82Å; E411-R413 IonicContact OE1-NH2 2.86Å; E411-R413 IonicContact OE2-CZ 2.89Å; E411-R413 IonicContact OE2-NE 3Å; E411-R413 PolarHBondContact OE2-NE 3.43Å; E411-R413 IonicContact OE2-NH2 3.61Å; E411-R413 PolarHBondContact OE2-NH2 2.79Å; R413-V415 PolarHBondContact O-N 2.79Å; R413-S491 WeakPolarHBondContact CB-O 3.39Å; R413-S491 PolarHBondContact O-OG 3.23Å
414	L	94.2	Very high	92.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-69	-13.9	173.6	-60.7	-168.7	0	0	0	113.5	P394 W396 S409 E411 K412 T492 P493 F496 L498 W544	P394-L414 HydrophobicContact CB-CB 4.4Å; W396-L414 HydrophobicContact CH2-CB 4.03Å; W396-L414 HydrophobicContact CH2-CD1 4.47Å; S409-L414 VanDerWaalsContact CB-CD1 3.41Å; E411-L414 HydrophobicContact CB-CD1 4.22Å; E411-L414 HydrophobicContact CB-CD2 4.39Å; E411-L414 HydrophobicContact CB-CG 3.87Å; E411-L414 HydrophobicContact CG-CD2 3.91Å; E411-L414 HydrophobicContact CG-CG 3.78Å; E411-L414 WeakPolarHBondContact O-CB 3.33Å; E411-L414 WeakPolarHBondContact O-CG 3.48Å; E411-L414 PolarHBondContact O-N 2.76Å; K412-L414 PolarHBondContact O-N 2.91Å; L414-T492 HydrophobicContact CD2-CG2 3.63Å; L414-P493 HydrophobicContact CD2-CG 4.41Å; L414-F496 HydrophobicContact CD1-CD2 3.64Å; L414-F496 HydrophobicContact CD1-CE2 3.87Å; L414-F496 HydrophobicContact CD1-CG 4.28Å; L414-F496 HydrophobicContact CD2-CB 4.11Å; L414-F496 HydrophobicContact CD2-CD1 3.68Å; L414-F496 HydrophobicContact CD2-CD2 3.68Å; L414-F496 HydrophobicContact CD2-CE1 3.89Å; L414-F496 HydrophobicContact CD2-CE2 3.89Å; L414-F496 HydrophobicContact CD2-CG 3.57Å; L414-F496 HydrophobicContact CD2-CZ 4Å; L414-F496 HydrophobicContact CG-CD2 4.29Å; L414-F496 HydrophobicContact CG-CG 4.5Å; L414-L498 HydrophobicContact CD1-CD2 4.12Å; L414-W544 HydrophobicContact CB-CZ2 4.22Å; L414-W544 HydrophobicContact CD1-CH2 4.31Å; L414-W544 HydrophobicContact CD1-CZ2 4.16Å; L414-W544 HydrophobicContact CD2-CZ2 4.37Å; L414-W544 HydrophobicContact CG-CZ2 4.47Å
415	V	93.3	Very high	92.1	Very high	19 Å²	19	45.2 Å²	45.2	12%	0.115	23%	0.229	C	C	.	.			trans	-128.4	147.5	179	-67.2	0	0	0	0	110.4	P391 P394 W396 K412 R413	P391-V415 HydrophobicContact CG-CG1 3.99Å; P391-V415 WeakPolarHBondContact O-CB 3.41Å; P391-V415 VanDerWaalsContact O-CG1 3.29Å; P391-V415 WeakPolarHBondContact O-CG1 3.26Å; P394-V415 HydrophobicContact CB-CG1 4.29Å; P394-V415 HydrophobicContact CB-CG2 4.47Å; W396-V415 HydrophobicContact CH2-CG1 3.79Å; W396-V415 HydrophobicContact CZ2-CG1 3.48Å; W396-V415 VanDerWaalsContact CZ2-CG1 3.48Å; K412-V415 VanDerWaalsContact O-CG2 3.29Å; K412-V415 WeakPolarHBondContact O-CG2 3.48Å; K412-V415 PolarHBondContact O-N 3.08Å; R413-V415 PolarHBondContact O-N 2.79Å
416	S	89.1	Confident	91.6	Very high	28 Å²	28	48.5 Å²	48.5	20%	0.196	24%	0.242	C	C	.	.			trans	-147	158.1	173.1	59.4	0	0	0	0	109.3	Q367	Q367-S416 PolarHBondContact NE2-O 3.41Å
417	P	87.5	Confident	91.2	Very high	98 Å²	98	49.5 Å²	49.5	64%	0.636	25%	0.247	S	C	*	.	S	Bend	trans	-52.5	159	159.5	-23	34.7	0	0	0	111.2	T419	P417-T419 PolarHBondContact O-N 3.28Å
418	E	83.6	Confident	91	Very high	53 Å²	53	49.5 Å²	49.5	25%	0.248	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-54.3	123	177.4	-171.5	174.1	-137.9	0	0	110.1	S386 E422 T423 R426	S386-E418 PolarHBondContact OG-OE1 3.19Å; E418-E422 WeakPolarHBondContact CA-OE2 3.25Å; E418-E422 HydrophobicContact CG-CB 3.78Å; E418-T423 PolarHBondContact OE2-OG1 3.31Å; E418-R426 IonicContact OE1-CZ 3.61Å; E418-R426 IonicContact OE1-NE 2.73Å; E418-R426 PolarHBondContact OE1-NE 2.93Å; E418-R426 IonicContact OE1-NH2 3.43Å; E418-R426 PolarHBondContact OE1-NH2 3.31Å; E418-R426 IonicContact OE2-CZ 3.92Å; E418-R426 IonicContact OE2-NE 3.88Å; E418-R426 IonicContact OE2-NH2 3.84Å; E418-R426 PolarHBondContact OE2-NH2 3.39Å
419	T	85.1	Confident	90.6	Very high	30 Å²	30	54 Å²	54	18%	0.184	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-78.9	162.4	-178.4	70.9	0	0	0	0	111.2	P417 S421 E422 T423 E488	P417-T419 PolarHBondContact O-N 3.28Å; T419-S421 PolarHBondContact O-N 3.25Å; T419-E422 PolarHBondContact N-OE2 2.88Å; T419-E422 PolarHBondContact O-N 3.12Å; T419-E422 WeakPolarHBondContact OG1-CB 3.38Å; T419-E422 VanDerWaalsContact OG1-CG 3.28Å; T419-E422 WeakPolarHBondContact OG1-CG 3.22Å; T419-E422 PolarHBondContact OG1-N 3.34Å; T419-E422 VanDerWaalsContact OG1-N 3.13Å; T419-T423 PolarHBondContact O-N 3.48Å; T419-T423 PolarHBondContact O-OG1 3.34Å; T419-T423 VanDerWaalsContact O-OG1 3.06Å; T419-E488 WeakPolarHBondContact CB-OE1 3.4Å; T419-E488 PolarHBondContact OG1-OE1 3.45Å
420	P	88.6	Confident	90.2	Very high	90 Å²	90	58 Å²	58	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-55.1	-36.9	173.5	-27.8	36.5	0	0	0	113.2	T423 G424 F485	P420-T423 WeakPolarHBondContact O-CB 3.38Å; P420-T423 PolarHBondContact O-N 2.98Å; P420-G424 PolarHBondContact O-N 3.29Å; P420-F485 HydrophobicContact CB-CD1 4.16Å; P420-F485 HydrophobicContact CB-CE1 4.01Å; P420-F485 VanDerWaalsContact O-CE1 3.23Å; P420-F485 WeakPolarHBondContact O-CE1 3.19Å
421	S	88	Confident	90	Very high	6 Å²	6	56 Å²	56	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-79.1	-31.3	-179.2	-30.3	0	0	0	0	112.2	T419 G424 R425 M481 F485 E488	T419-S421 PolarHBondContact O-N 3.25Å; S421-G424 CarbonylContact O-C 3.57Å; S421-G424 WeakPolarHBondContact O-CA 3.47Å; S421-G424 PolarHBondContact O-N 3.32Å; S421-R425 WeakPolarHBondContact O-CG 3.37Å; S421-R425 PolarHBondContact O-N 3.45Å; S421-M481 WeakPolarHBondContact O-CE 3.33Å; S421-F485 WeakPolarHBondContact OG-CB 3.43Å; S421-E488 WeakPolarHBondContact CB-OE1 3.29Å; S421-E488 WeakPolarHBondContact CB-OE2 3.18Å; S421-E488 PolarHBondContact N-OE1 2.83Å; S421-E488 PolarHBondContact OG-OE1 2.7Å; S421-E488 PolarHBondContact OG-OE2 3.09Å
422	E	86	Confident	89.7	Confident	48 Å²	48	54.3 Å²	54.3	22%	0.224	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-44.5	169.2	-73.2	174.2	156.2	0	0	110.9	N390 E418 T419 G424 R425 R426	N390-E422 PolarHBondContact ND2-OE1 3.37Å; E418-E422 WeakPolarHBondContact CA-OE2 3.25Å; E418-E422 HydrophobicContact CG-CB 3.78Å; T419-E422 PolarHBondContact N-OE2 2.88Å; T419-E422 PolarHBondContact O-N 3.12Å; T419-E422 WeakPolarHBondContact OG1-CB 3.38Å; T419-E422 VanDerWaalsContact OG1-CG 3.28Å; T419-E422 WeakPolarHBondContact OG1-CG 3.22Å; T419-E422 PolarHBondContact OG1-N 3.34Å; T419-E422 VanDerWaalsContact OG1-N 3.13Å; E422-G424 VanDerWaalsContact C-N 3.29Å; E422-G424 PolarHBondContact O-N 2.89Å; E422-R425 PolarHBondContact O-N 2.76Å; E422-R426 WeakPolarHBondContact O-CB 3.38Å; E422-R426 PolarHBondContact O-N 3.46Å
423	T	89.2	Confident	88.9	Confident	37 Å²	37	53.1 Å²	53.1	23%	0.227	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-44.2	170.9	-60	0	0	0	0	110.9	E418 T419 P420 R426 I427 L451	E418-T423 PolarHBondContact OE2-OG1 3.31Å; T419-T423 PolarHBondContact O-N 3.48Å; T419-T423 PolarHBondContact O-OG1 3.34Å; T419-T423 VanDerWaalsContact O-OG1 3.06Å; P420-T423 WeakPolarHBondContact O-CB 3.38Å; P420-T423 PolarHBondContact O-N 2.98Å; T423-R426 PolarHBondContact O-N 2.7Å; T423-I427 HydrophobicContact CG2-CD1 3.77Å; T423-I427 WeakPolarHBondContact O-CG1 3.35Å; T423-I427 PolarHBondContact O-N 2.92Å; T423-L451 HydrophobicContact CG2-CD2 4.22Å
424	G	92.3	Very high	88.3	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-50.9	-56.6	171.9	0	0	0	0	0	113.1	P420 S421 E422 R426 F428	P420-G424 PolarHBondContact O-N 3.29Å; S421-G424 CarbonylContact O-C 3.57Å; S421-G424 WeakPolarHBondContact O-CA 3.47Å; S421-G424 PolarHBondContact O-N 3.32Å; E422-G424 VanDerWaalsContact C-N 3.29Å; E422-G424 PolarHBondContact O-N 2.89Å; G424-R426 PolarHBondContact O-N 2.78Å; G424-F428 VanDerWaalsContact O-CB 3.3Å; G424-F428 WeakPolarHBondContact O-CB 3.27Å; G424-F428 PolarHBondContact O-N 3.03Å
425	R	90.3	Very high	87.7	Confident	99 Å²	99	56.3 Å²	56.3	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-42.4	179.5	-68.9	177.8	-165.3	-79.7	-2.5	111.8	S421 E422 F428 K429 L477 M481	S421-R425 WeakPolarHBondContact O-CG 3.37Å; S421-R425 PolarHBondContact O-N 3.45Å; E422-R425 PolarHBondContact O-N 2.76Å; R425-F428 PolarHBondContact O-N 2.96Å; R425-K429 WeakPolarHBondContact O-CB 3.29Å; R425-K429 VanDerWaalsContact O-CG 3.29Å; R425-K429 WeakPolarHBondContact O-CG 3.42Å; R425-K429 PolarHBondContact O-N 3.31Å; R425-L477 HydrophobicContact CG-CD1 4.28Å; R425-M481 HydrophobicContact CB-SD 4.46Å; R425-M481 HydrophobicContact CG-CE 3.75Å; R425-M481 HydrophobicContact CG-CG 3.94Å; R425-M481 HydrophobicContact CG-SD 3.6Å; R425-M481 VanDerWaalsContact CG-SD 3.6Å
426	R	88	Confident	87.4	Confident	69 Å²	69	59.1 Å²	59.1	26%	0.26	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-48.2	-178.9	-179	172.1	53.9	67.8	-1.1	111.5	E418 E422 T423 G424 K429 S430	E418-R426 IonicContact OE1-CZ 3.61Å; E418-R426 IonicContact OE1-NE 2.73Å; E418-R426 PolarHBondContact OE1-NE 2.93Å; E418-R426 IonicContact OE1-NH2 3.43Å; E418-R426 PolarHBondContact OE1-NH2 3.31Å; E418-R426 IonicContact OE2-CZ 3.92Å; E418-R426 IonicContact OE2-NE 3.88Å; E418-R426 IonicContact OE2-NH2 3.84Å; E418-R426 PolarHBondContact OE2-NH2 3.39Å; E422-R426 WeakPolarHBondContact O-CB 3.38Å; E422-R426 PolarHBondContact O-N 3.46Å; T423-R426 PolarHBondContact O-N 2.7Å; G424-R426 PolarHBondContact O-N 2.78Å; R426-K429 PolarHBondContact O-N 3.31Å; R426-S430 PolarHBondContact O-N 2.97Å; R426-S430 VanDerWaalsContact O-N 3.11Å
427	I	91.5	Very high	87.5	Confident	20 Å²	20	61.4 Å²	61.4	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-66.3	-43	177.4	-70.1	168.4	0	0	0	110.2	T423 K429 S430 Y431 A450 L451	T423-I427 HydrophobicContact CG2-CD1 3.77Å; T423-I427 WeakPolarHBondContact O-CG1 3.35Å; T423-I427 PolarHBondContact O-N 2.92Å; I427-K429 VanDerWaalsContact C-N 3.29Å; I427-K429 PolarHBondContact O-N 3.28Å; I427-S430 PolarHBondContact O-N 2.55Å; I427-S430 VanDerWaalsContact O-N 3.14Å; I427-S430 PolarHBondContact O-OG 2.84Å; I427-Y431 HydrophobicContact CG2-CE2 4.08Å; I427-Y431 VanDerWaalsContact O-CD2 3.24Å; I427-Y431 WeakPolarHBondContact O-CD2 3.23Å; I427-A450 WeakPolarHBondContact CD1-O 3.35Å; I427-A450 HydrophobicContact CG2-CB 3.59Å; I427-L451 HydrophobicContact CB-CD2 3.96Å; I427-L451 HydrophobicContact CB-CG 4.07Å; I427-L451 HydrophobicContact CD1-CD2 3.45Å; I427-L451 VanDerWaalsContact CD1-CD2 3.45Å; I427-L451 HydrophobicContact CD1-CG 3.93Å; I427-L451 HydrophobicContact CG1-CD2 4.21Å; I427-L451 HydrophobicContact CG2-CD1 4.45Å; I427-L451 HydrophobicContact CG2-CD2 4.35Å; I427-L451 HydrophobicContact CG2-CG 3.9Å
428	F	93.9	Very high	87.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-54.9	-48	175.2	-174.1	-78.5	0	0	0	111.4	G424 R425 S430 Y431 I439 I475 L477 F480	G424-F428 VanDerWaalsContact O-CB 3.3Å; G424-F428 WeakPolarHBondContact O-CB 3.27Å; G424-F428 PolarHBondContact O-N 3.03Å; R425-F428 PolarHBondContact O-N 2.96Å; F428-S430 VanDerWaalsContact C-N 3.28Å; F428-S430 PolarHBondContact O-N 3.03Å; F428-Y431 PolarHBondContact O-N 3.08Å; F428-I439 HydrophobicContact CD1-CG2 4.05Å; F428-I439 HydrophobicContact CD2-CD1 3.97Å; F428-I439 HydrophobicContact CE1-CB 4.5Å; F428-I439 HydrophobicContact CE1-CG1 4.42Å; F428-I439 HydrophobicContact CE1-CG2 3.66Å; F428-I439 HydrophobicContact CE2-CD1 3.55Å; F428-I439 HydrophobicContact CE2-CG1 3.69Å; F428-I439 HydrophobicContact CE2-CG2 4.27Å; F428-I439 HydrophobicContact CZ-CB 4.17Å; F428-I439 HydrophobicContact CZ-CD1 4.03Å; F428-I439 HydrophobicContact CZ-CG1 3.65Å; F428-I439 HydrophobicContact CZ-CG2 3.79Å; F428-I475 HydrophobicContact CE2-CG2 4.18Å; F428-I475 WeakPolarHBondContact CZ-O 3.16Å; F428-L477 HydrophobicContact CB-CD1 3.84Å; F428-L477 HydrophobicContact CD1-CB 4.05Å; F428-L477 HydrophobicContact CD1-CD1 3.45Å; F428-L477 VanDerWaalsContact CD1-CD1 3.45Å; F428-L477 HydrophobicContact CD1-CG 4.27Å; F428-L477 HydrophobicContact CD2-CD1 4.18Å; F428-L477 HydrophobicContact CE1-CB 3.67Å; F428-L477 HydrophobicContact CE1-CD1 3.97Å; F428-L477 HydrophobicContact CE1-CG 4.38Å; F428-L477 HydrophobicContact CG-CD1 3.55Å; F428-L477 HydrophobicContact CZ-CB 4.07Å; F428-F480 HydrophobicContact CD2-CB 3.97Å; F428-F480 AromaticContact CD2-CD1 3.6Å; F428-F480 HydrophobicContact CD2-CD1 3.6Å; F428-F480 HydrophobicContact CD2-CD2 4.09Å; F428-F480 HydrophobicContact CD2-CE1 4.11Å; F428-F480 AromaticContact CD2-CG 3.6Å; F428-F480 HydrophobicContact CD2-CG 3.6Å; F428-F480 HydrophobicContact CE2-CB 3.67Å; F428-F480 HydrophobicContact CE2-CD1 4.2Å; F428-F480 HydrophobicContact CE2-CD2 4.17Å; F428-F480 AromaticContact CE2-CG 3.75Å; F428-F480 HydrophobicContact CE2-CG 3.75Å; F428-F480 HydrophobicContact CG-CD1 4.44Å
429	K	89.7	Confident	88.4	Confident	99 Å²	99	57.7 Å²	57.7	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-26.8	179.9	-77.1	-177	173.7	-167.8	0	113.9	R425 R426 I427 Y431 D432	R425-K429 WeakPolarHBondContact O-CB 3.29Å; R425-K429 VanDerWaalsContact O-CG 3.29Å; R425-K429 WeakPolarHBondContact O-CG 3.42Å; R425-K429 PolarHBondContact O-N 3.31Å; R426-K429 PolarHBondContact O-N 3.31Å; I427-K429 VanDerWaalsContact C-N 3.29Å; I427-K429 PolarHBondContact O-N 3.28Å; K429-Y431 PolarHBondContact O-N 3.1Å; K429-D432 CarbonylContact O-C 3.6Å; K429-D432 PolarHBondContact O-N 3.26Å
430	S	87	Confident	88.9	Confident	88 Å²	88	58.6 Å²	58.6	62%	0.615	32%	0.317	S	S	*	.	H	α-helix	trans	-67.6	-14.2	174.4	69.5	0	0	0	0	113.4	R426 I427 F428	R426-S430 PolarHBondContact O-N 2.97Å; R426-S430 VanDerWaalsContact O-N 3.11Å; I427-S430 PolarHBondContact O-N 2.55Å; I427-S430 VanDerWaalsContact O-N 3.14Å; I427-S430 PolarHBondContact O-OG 2.84Å; F428-S430 VanDerWaalsContact C-N 3.28Å; F428-S430 PolarHBondContact O-N 3.03Å
431	Y	90.5	Very high	89.3	Confident	72 Å²	72	55.4 Å²	55.4	28%	0.282	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	5.1	172.7	-65	-95.1	0	0	0	112.9	I427 F428 K429 P433 I439 M443 E446 V447 A450	I427-Y431 HydrophobicContact CG2-CE2 4.08Å; I427-Y431 VanDerWaalsContact O-CD2 3.24Å; I427-Y431 WeakPolarHBondContact O-CD2 3.23Å; F428-Y431 PolarHBondContact O-N 3.08Å; K429-Y431 PolarHBondContact O-N 3.1Å; Y431-P433 VanDerWaalsContact C-CD 3.46Å; Y431-P433 VanDerWaalsContact O-CD 3.31Å; Y431-P433 WeakPolarHBondContact O-CD 3.49Å; Y431-I439 WeakPolarHBondContact O-CG2 3.47Å; Y431-M443 HydrophobicContact CD1-CB 4.43Å; Y431-M443 HydrophobicContact CD1-SD 4.48Å; Y431-E446 HydrophobicContact CE1-CB 3.65Å; Y431-E446 PolarHBondContact OH-O 3.49Å; Y431-V447 HydrophobicContact CD1-CG2 4.26Å; Y431-V447 HydrophobicContact CD2-CG2 3.44Å; Y431-V447 VanDerWaalsContact CD2-CG2 3.44Å; Y431-V447 HydrophobicContact CE2-CG2 3.89Å; Y431-V447 HydrophobicContact CG-CG2 3.65Å; Y431-A450 HydrophobicContact CE2-CB 4.31Å
432	D	88.3	Confident	89.6	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.053	32%	0.32	C	S	.	.			trans	-115.9	74	174.4	175.4	16.1	0	0	0	108.9	K429 E434 G435 N436 N437 F438 I439	K429-D432 CarbonylContact O-C 3.6Å; K429-D432 PolarHBondContact O-N 3.26Å; D432-E434 PolarHBondContact O-N 3.4Å; D432-E434 VanDerWaalsContact O-N 3.15Å; D432-G435 PolarHBondContact O-N 3.47Å; D432-G435 PolarHBondContact OD1-N 3.18Å; D432-G435 VanDerWaalsContact OD2-C 3.31Å; D432-G435 WeakPolarHBondContact OD2-CA 3.18Å; D432-N436 PolarHBondContact OD1-N 3.18Å; D432-N436 PolarHBondContact OD2-N 3.22Å; D432-N437 VanDerWaalsContact OD2-CA 3.23Å; D432-N437 WeakPolarHBondContact OD2-CA 3.27Å; D432-N437 PolarHBondContact OD2-N 2.92Å; D432-F438 WeakPolarHBondContact CB-O 3.49Å; D432-F438 VanDerWaalsContact CG-O 3.23Å; D432-F438 PolarHBondContact OD2-N 2.91Å; D432-I439 HydrophobicContact CB-CG2 4.04Å
433	P	77.5	Confident	90	Very high	118 Å²	118	60.5 Å²	60.5	77%	0.766	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.8	-174	27.5	-35.7	0	0	0	113.1	Y431	Y431-P433 VanDerWaalsContact C-CD 3.46Å; Y431-P433 VanDerWaalsContact O-CD 3.31Å; Y431-P433 WeakPolarHBondContact O-CD 3.49Å
434	E	80.4	Confident	90.4	Very high	149 Å²	149	58.8 Å²	58.8	70%	0.696	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.5	177.8	-62.2	-176.5	-177.6	0	0	112.5	D432 N436	D432-E434 PolarHBondContact O-N 3.4Å; D432-E434 VanDerWaalsContact O-N 3.15Å; E434-N436 WeakPolarHBondContact CB-ND2 3.17Å; E434-N436 PolarHBondContact O-N 3.27Å; E434-N436 PolarHBondContact OE2-ND2 3.38Å
435	G	82	Confident	90.6	Very high	50 Å²	50	64.2 Å²	64.2	52%	0.515	34%	0.336	S	S	.	.			trans	66.9	23.4	178.9	0	0	0	0	0	114.1	D432 N437	D432-G435 PolarHBondContact O-N 3.47Å; D432-G435 PolarHBondContact OD1-N 3.18Å; D432-G435 VanDerWaalsContact OD2-C 3.31Å; D432-G435 WeakPolarHBondContact OD2-CA 3.18Å; G435-N437 PolarHBondContact O-N 2.74Å
436	N	86.8	Confident	90.9	Very high	77 Å²	77	63.7 Å²	63.7	41%	0.412	34%	0.338	S	S	.	.	S	Bend	trans	-80	0.1	-175.2	-67.5	-40.4	0	0	0	113.5	D432 E434 F438	D432-N436 PolarHBondContact OD1-N 3.18Å; D432-N436 PolarHBondContact OD2-N 3.22Å; E434-N436 WeakPolarHBondContact CB-ND2 3.17Å; E434-N436 PolarHBondContact O-N 3.27Å; E434-N436 PolarHBondContact OE2-ND2 3.38Å; N436-F438 VanDerWaalsContact C-N 3.33Å; N436-F438 HydrophobicContact CB-CD1 3.51Å; N436-F438 HydrophobicContact CB-CE1 3.22Å; N436-F438 HydrophobicContact CB-CG 4.44Å; N436-F438 HydrophobicContact CB-CZ 3.92Å
437	N	91.8	Very high	91.3	Very high	76 Å²	76	60.4 Å²	60.4	41%	0.406	33%	0.326	S	S	.	.	S	Bend	trans	63.1	33.4	-172.7	-52.3	-74.2	0	0	0	113.7	D432 G435 L477	D432-N437 VanDerWaalsContact OD2-CA 3.23Å; D432-N437 WeakPolarHBondContact OD2-CA 3.27Å; D432-N437 PolarHBondContact OD2-N 2.92Å; G435-N437 PolarHBondContact O-N 2.74Å; N437-L477 HydrophobicContact CB-CB 4.06Å; N437-L477 HydrophobicContact CB-CD2 4.32Å; N437-L477 WeakPolarHBondContact O-CB 3.36Å; N437-L477 PolarHBondContact O-N 3.02Å
438	F	94.8	Very high	91.6	Very high	71 Å²	71	59.5 Å²	59.5	31%	0.311	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.9	169.8	68.8	-102.5	0	0	0	111.7	D432 N436 I474 I475 L476	D432-F438 WeakPolarHBondContact CB-O 3.49Å; D432-F438 VanDerWaalsContact CG-O 3.23Å; D432-F438 PolarHBondContact OD2-N 2.91Å; N436-F438 VanDerWaalsContact C-N 3.33Å; N436-F438 HydrophobicContact CB-CD1 3.51Å; N436-F438 HydrophobicContact CB-CE1 3.22Å; N436-F438 HydrophobicContact CB-CG 4.44Å; N436-F438 HydrophobicContact CB-CZ 3.92Å; F438-I474 HydrophobicContact CD2-CB 4.19Å; F438-I474 HydrophobicContact CD2-CG2 3.87Å; F438-I474 HydrophobicContact CE2-CG2 4.12Å; F438-I475 VanDerWaalsContact CA-O 3.23Å; F438-I475 WeakPolarHBondContact CA-O 3.26Å; F438-I475 WeakPolarHBondContact CB-O 3.48Å; F438-L476 HydrophobicContact CB-CD2 4.04Å
439	I	95.6	Very high	91.7	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	159.9	171.8	62.9	177.7	0	0	0	110	F428 Y431 D432 V447 I474 I475	F428-I439 HydrophobicContact CD1-CG2 4.05Å; F428-I439 HydrophobicContact CD2-CD1 3.97Å; F428-I439 HydrophobicContact CE1-CB 4.5Å; F428-I439 HydrophobicContact CE1-CG1 4.42Å; F428-I439 HydrophobicContact CE1-CG2 3.66Å; F428-I439 HydrophobicContact CE2-CD1 3.55Å; F428-I439 HydrophobicContact CE2-CG1 3.69Å; F428-I439 HydrophobicContact CE2-CG2 4.27Å; F428-I439 HydrophobicContact CZ-CB 4.17Å; F428-I439 HydrophobicContact CZ-CD1 4.03Å; F428-I439 HydrophobicContact CZ-CG1 3.65Å; F428-I439 HydrophobicContact CZ-CG2 3.79Å; Y431-I439 WeakPolarHBondContact O-CG2 3.47Å; D432-I439 HydrophobicContact CB-CG2 4.04Å; I439-V447 HydrophobicContact CD1-CB 4.46Å; I439-V447 HydrophobicContact CD1-CG2 3.69Å; I439-I474 CarbonylContact O-C 3.55Å; I439-I474 WeakPolarHBondContact O-CA 3.48Å; I439-I475 HydrophobicContact CG1-CB 4.04Å; I439-I475 PolarHBondContact N-O 2.97Å; I439-I475 PolarHBondContact O-N 3.25Å
440	S	95.4	Very high	92	Very high	49 Å²	49	60.7 Å²	60.7	34%	0.343	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	140.8	167.9	177.9	0	0	0	0	110.5	T442 M443 G473	S440-T442 WeakPolarHBondContact CB-OG1 3.47Å; S440-T442 PolarHBondContact O-N 2.69Å; S440-T442 PolarHBondContact OG-N 3.05Å; S440-T442 PolarHBondContact OG-OG1 3.41Å; S440-M443 WeakPolarHBondContact O-CB 3.47Å; S440-M443 PolarHBondContact O-N 3.45Å; S440-G473 WeakPolarHBondContact CA-O 3.47Å
441	T	95.7	Very high	92.3	Very high	24 Å²	24	57.6 Å²	57.6	15%	0.147	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-53.5	-29.3	172.6	51	0	0	0	0	112.8	M443 L444 Q464 D468 G473 I475	T441-M443 PolarHBondContact O-N 2.67Å; T441-L444 WeakPolarHBondContact O-CB 3.29Å; T441-L444 PolarHBondContact O-N 3.04Å; T441-Q464 PolarHBondContact O-NE2 3.3Å; T441-D468 HydrophobicContact CG2-CB 3.76Å; T441-D468 WeakPolarHBondContact CG2-OD2 3.36Å; T441-G473 PolarHBondContact N-O 3.24Å; T441-G473 PolarHBondContact OG1-O 3.13Å; T441-I475 HydrophobicContact CG2-CD1 4.17Å; T441-I475 HydrophobicContact CG2-CG1 3.77Å
442	T	94.5	Very high	92.5	Very high	89 Å²	89	61.4 Å²	61.4	55%	0.546	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-64.1	-24.9	177.1	61.3	0	0	0	0	113.5	S440	S440-T442 WeakPolarHBondContact CB-OG1 3.47Å; S440-T442 PolarHBondContact O-N 2.69Å; S440-T442 PolarHBondContact OG-N 3.05Å; S440-T442 PolarHBondContact OG-OG1 3.41Å
443	M	95.4	Very high	92.9	Very high	72 Å²	72	63.6 Å²	63.6	36%	0.355	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-86.2	-9.4	180	-62	-62.4	103.3	0	0	113.3	Y431 S440 T441 R445 E446 V447	Y431-M443 HydrophobicContact CD1-CB 4.43Å; Y431-M443 HydrophobicContact CD1-SD 4.48Å; S440-M443 WeakPolarHBondContact O-CB 3.47Å; S440-M443 PolarHBondContact O-N 3.45Å; T441-M443 PolarHBondContact O-N 2.67Å; M443-R445 PolarHBondContact O-N 2.92Å; M443-R445 VanDerWaalsContact O-N 3.15Å; M443-E446 PolarHBondContact O-N 3.19Å; M443-E446 VanDerWaalsContact O-N 3.08Å; M443-V447 PolarHBondContact O-N 3.19Å; M443-V447 VanDerWaalsContact O-N 3.08Å
444	L	96.9	Very high	93.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-54.8	-40.4	-174.3	-177.8	60.7	0	0	0	112.5	T441 E446 V447 L448 V460 M463 Q464 L467 I475 F480	T441-L444 WeakPolarHBondContact O-CB 3.29Å; T441-L444 PolarHBondContact O-N 3.04Å; L444-E446 PolarHBondContact O-N 3.43Å; L444-V447 PolarHBondContact O-N 3.32Å; L444-L448 HydrophobicContact CD1-CD1 4.17Å; L444-L448 HydrophobicContact CD1-CG 4.14Å; L444-L448 HydrophobicContact CD2-CD1 4.46Å; L444-L448 HydrophobicContact CG-CD1 3.92Å; L444-L448 HydrophobicContact CG-CG 4.32Å; L444-L448 VanDerWaalsContact O-CG 3.27Å; L444-L448 WeakPolarHBondContact O-CG 3.27Å; L444-L448 PolarHBondContact O-N 3.16Å; L444-V460 HydrophobicContact CD2-CG1 4.33Å; L444-V460 HydrophobicContact CG-CG1 4.47Å; L444-M463 HydrophobicContact CD2-CB 3.89Å; L444-Q464 HydrophobicContact CB-CG 4.38Å; L444-Q464 HydrophobicContact CD2-CB 4.47Å; L444-Q464 HydrophobicContact CD2-CG 3.67Å; L444-L467 HydrophobicContact CD1-CD1 4.07Å; L444-L467 HydrophobicContact CD2-CD1 4.09Å; L444-I475 HydrophobicContact CB-CD1 3.82Å; L444-I475 HydrophobicContact CD1-CD1 3.84Å; L444-I475 HydrophobicContact CD2-CD1 3.83Å; L444-I475 HydrophobicContact CG-CD1 4.02Å; L444-F480 HydrophobicContact CD1-CD2 4.1Å; L444-F480 HydrophobicContact CD1-CE2 3.93Å
445	R	96.9	Very high	94.4	Very high	114 Å²	114	56.5 Å²	56.5	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-46.5	179.7	-172.7	173.8	-173.8	-161.3	-3.8	112	M443 V447 L448 I449 S455 V460	M443-R445 PolarHBondContact O-N 2.92Å; M443-R445 VanDerWaalsContact O-N 3.15Å; R445-V447 VanDerWaalsContact C-N 3.34Å; R445-L448 PolarHBondContact O-N 3Å; R445-I449 HydrophobicContact CG-CD1 3.99Å; R445-I449 VanDerWaalsContact O-CG1 3.3Å; R445-I449 WeakPolarHBondContact O-CG1 3.44Å; R445-I449 PolarHBondContact O-N 3.07Å; R445-S455 PolarHBondContact NE-O 2.95Å; R445-V460 HydrophobicContact CB-CG1 4.1Å; R445-V460 HydrophobicContact CB-CG2 4.27Å; R445-V460 HydrophobicContact CG-CG2 4.15Å
446	E	96.3	Very high	95	Very high	89 Å²	89	60.5 Å²	60.5	42%	0.416	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-38.8	-178.7	-58.5	-54.2	144.1	0	0	111.1	Y431 M443 L444 I449 A450	Y431-E446 HydrophobicContact CE1-CB 3.65Å; Y431-E446 PolarHBondContact OH-O 3.49Å; M443-E446 PolarHBondContact O-N 3.19Å; M443-E446 VanDerWaalsContact O-N 3.08Å; L444-E446 PolarHBondContact O-N 3.43Å; E446-I449 PolarHBondContact O-N 3.24Å; E446-A450 WeakPolarHBondContact O-CB 3.38Å; E446-A450 PolarHBondContact O-N 2.82Å
447	V	96.4	Very high	95.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-46.4	173.4	173	0	0	0	0	111.4	Y431 I439 M443 L444 R445 A450 L451 F480	Y431-V447 HydrophobicContact CD1-CG2 4.26Å; Y431-V447 HydrophobicContact CD2-CG2 3.44Å; Y431-V447 VanDerWaalsContact CD2-CG2 3.44Å; Y431-V447 HydrophobicContact CE2-CG2 3.89Å; Y431-V447 HydrophobicContact CG-CG2 3.65Å; I439-V447 HydrophobicContact CD1-CB 4.46Å; I439-V447 HydrophobicContact CD1-CG2 3.69Å; M443-V447 PolarHBondContact O-N 3.19Å; M443-V447 VanDerWaalsContact O-N 3.08Å; L444-V447 PolarHBondContact O-N 3.32Å; R445-V447 VanDerWaalsContact C-N 3.34Å; V447-A450 PolarHBondContact O-N 3.02Å; V447-L451 HydrophobicContact CG1-CD1 3.85Å; V447-L451 WeakPolarHBondContact O-CB 3.39Å; V447-L451 WeakPolarHBondContact O-CG 3.4Å; V447-L451 PolarHBondContact O-N 2.93Å; V447-F480 HydrophobicContact CG1-CE1 4.46Å; V447-F480 HydrophobicContact CG1-CE2 3.93Å; V447-F480 HydrophobicContact CG1-CZ 3.72Å
448	L	97.3	Very high	95.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-39.7	178.3	-67.5	172.6	0	0	0	112.1	L444 R445 L451 N452 L453 V460 F480 F484	L444-L448 HydrophobicContact CD1-CD1 4.17Å; L444-L448 HydrophobicContact CD1-CG 4.14Å; L444-L448 HydrophobicContact CD2-CD1 4.46Å; L444-L448 HydrophobicContact CG-CD1 3.92Å; L444-L448 HydrophobicContact CG-CG 4.32Å; L444-L448 VanDerWaalsContact O-CG 3.27Å; L444-L448 WeakPolarHBondContact O-CG 3.27Å; L444-L448 PolarHBondContact O-N 3.16Å; R445-L448 PolarHBondContact O-N 3Å; L448-L451 PolarHBondContact O-N 3.33Å; L448-N452 PolarHBondContact O-N 2.8Å; L448-L453 HydrophobicContact CB-CB 4.3Å; L448-L453 HydrophobicContact CD2-CB 3.87Å; L448-L453 HydrophobicContact CD2-CD1 3.73Å; L448-L453 HydrophobicContact CD2-CG 4.46Å; L448-L453 PolarHBondContact O-N 2.81Å; L448-V460 HydrophobicContact CD1-CG2 4.14Å; L448-F480 HydrophobicContact CD2-CE2 4.23Å; L448-F484 HydrophobicContact CD2-CD1 4.29Å; L448-F484 HydrophobicContact CD2-CE1 3.76Å; L448-F484 HydrophobicContact CD2-CE2 4.05Å; L448-F484 HydrophobicContact CD2-CZ 3.64Å
449	I	96.6	Very high	95.8	Very high	78 Å²	78	61 Å²	61	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-48.7	173.7	-70.6	167.9	0	0	0	110.3	R445 E446 L451 N452 S455	R445-I449 HydrophobicContact CG-CD1 3.99Å; R445-I449 VanDerWaalsContact O-CG1 3.3Å; R445-I449 WeakPolarHBondContact O-CG1 3.44Å; R445-I449 PolarHBondContact O-N 3.07Å; E446-I449 PolarHBondContact O-N 3.24Å; I449-L451 PolarHBondContact O-N 3.36Å; I449-N452 PolarHBondContact O-N 2.93Å; I449-S455 WeakPolarHBondContact CG1-OG 3.31Å
450	A	95	Very high	95.8	Very high	46 Å²	46	61.2 Å²	61.2	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-31.3	-179.6	0	0	0	0	0	112.4	I427 Y431 E446 V447 N452	I427-A450 WeakPolarHBondContact CD1-O 3.35Å; I427-A450 HydrophobicContact CG2-CB 3.59Å; Y431-A450 HydrophobicContact CE2-CB 4.31Å; E446-A450 WeakPolarHBondContact O-CB 3.38Å; E446-A450 PolarHBondContact O-N 2.82Å; V447-A450 PolarHBondContact O-N 3.02Å; A450-N452 VanDerWaalsContact C-N 3.3Å
451	L	94.7	Very high	95.8	Very high	23 Å²	23	60.9 Å²	60.9	12%	0.12	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.1	174.5	-74.9	165.2	0	0	0	114.4	T423 I427 V447 L448 I449 L453 F480 F485	T423-L451 HydrophobicContact CG2-CD2 4.22Å; I427-L451 HydrophobicContact CB-CD2 3.96Å; I427-L451 HydrophobicContact CB-CG 4.07Å; I427-L451 HydrophobicContact CD1-CD2 3.45Å; I427-L451 VanDerWaalsContact CD1-CD2 3.45Å; I427-L451 HydrophobicContact CD1-CG 3.93Å; I427-L451 HydrophobicContact CG1-CD2 4.21Å; I427-L451 HydrophobicContact CG2-CD1 4.45Å; I427-L451 HydrophobicContact CG2-CD2 4.35Å; I427-L451 HydrophobicContact CG2-CG 3.9Å; V447-L451 HydrophobicContact CG1-CD1 3.85Å; V447-L451 WeakPolarHBondContact O-CB 3.39Å; V447-L451 WeakPolarHBondContact O-CG 3.4Å; V447-L451 PolarHBondContact O-N 2.93Å; L448-L451 PolarHBondContact O-N 3.33Å; I449-L451 PolarHBondContact O-N 3.36Å; L451-L453 HydrophobicContact CB-CB 4.49Å; L451-L453 HydrophobicContact CB-CD1 3.81Å; L451-L453 HydrophobicContact CB-CG 3.81Å; L451-L453 HydrophobicContact CD1-CD1 4.06Å; L451-L453 PolarHBondContact O-N 2.88Å; L451-F480 HydrophobicContact CD1-CE1 3.82Å; L451-F480 HydrophobicContact CD1-CZ 3.46Å; L451-F480 VanDerWaalsContact CD1-CZ 3.46Å; L451-F485 HydrophobicContact CD1-CE2 4.44Å; L451-F485 HydrophobicContact CD1-CZ 4.46Å; L451-F485 HydrophobicContact CD2-CZ 4.26Å
452	N	95.3	Very high	95.8	Very high	153 Å²	153	64.6 Å²	64.6	82%	0.818	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	36.9	-172.6	-166.9	46.3	0	0	0	112.6	L448 I449 A450	L448-N452 PolarHBondContact O-N 2.8Å; I449-N452 PolarHBondContact O-N 2.93Å; A450-N452 VanDerWaalsContact C-N 3.3Å
453	L	94.8	Very high	95.9	Very high	56 Å²	56	60.7 Å²	60.7	29%	0.293	33%	0.334	S	S	.	.			trans	-96.9	167.2	173.4	-64.9	174.8	0	0	0	110.6	L448 L451 S455 F484 F485	L448-L453 HydrophobicContact CB-CB 4.3Å; L448-L453 HydrophobicContact CD2-CB 3.87Å; L448-L453 HydrophobicContact CD2-CD1 3.73Å; L448-L453 HydrophobicContact CD2-CG 4.46Å; L448-L453 PolarHBondContact O-N 2.81Å; L451-L453 HydrophobicContact CB-CB 4.49Å; L451-L453 HydrophobicContact CB-CD1 3.81Å; L451-L453 HydrophobicContact CB-CG 3.81Å; L451-L453 HydrophobicContact CD1-CD1 4.06Å; L451-L453 PolarHBondContact O-N 2.88Å; L453-S455 PolarHBondContact O-N 2.81Å; L453-F484 HydrophobicContact CD1-CB 4.27Å; L453-F484 HydrophobicContact CD1-CD1 3.96Å; L453-F484 HydrophobicContact CD1-CG 4.16Å; L453-F485 HydrophobicContact CD1-CZ 4.37Å
454	V	94.4	Very high	96	Very high	86 Å²	86	60.1 Å²	60.1	52%	0.521	33%	0.33	S	S	.	.			trans	-60.4	121.7	178.7	-178.7	0	0	0	0	109.9	Y459	V454-Y459 HydrophobicContact CB-CD1 3.89Å; V454-Y459 HydrophobicContact CB-CE1 3.89Å; V454-Y459 HydrophobicContact CG1-CD1 3.68Å; V454-Y459 HydrophobicContact CG1-CE1 4.17Å; V454-Y459 HydrophobicContact CG1-CG 3.88Å; V454-Y459 VanDerWaalsContact O-CD1 3.24Å; V454-Y459 WeakPolarHBondContact O-CD1 3.31Å; V454-Y459 WeakPolarHBondContact O-CE1 3.41Å
455	S	95.1	Very high	95.9	Very high	31 Å²	31	68 Å²	68	22%	0.217	36%	0.364	C	S	.	.			trans	-129.8	20.7	-172.1	54.6	0	0	0	0	113.7	R445 I449 L453	R445-S455 PolarHBondContact NE-O 2.95Å; I449-S455 WeakPolarHBondContact CG1-OG 3.31Å; L453-S455 PolarHBondContact O-N 2.81Å
456	E	96.4	Very high	95.8	Very high	134 Å²	134	69.6 Å²	69.6	63%	0.626	37%	0.37	S	S	*	.			trans	-61.3	134.7	173.5	-73.2	-62.2	154	0	0	111	A458 Y459 V460	E456-A458 VanDerWaalsContact C-N 3.26Å; E456-A458 PolarHBondContact O-N 2.81Å; E456-A458 VanDerWaalsContact O-N 3.07Å; E456-Y459 WeakPolarHBondContact O-CB 3.3Å; E456-Y459 PolarHBondContact O-N 3.26Å; E456-V460 WeakPolarHBondContact O-CG2 3.21Å; E456-V460 PolarHBondContact O-N 3.08Å
457	P	95.6	Very high	95.8	Very high	75 Å²	75	66.1 Å²	66.1	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-52.1	-39.2	-172.3	-29.6	35.1	0	0	0	115	A461	P457-A461 WeakPolarHBondContact O-CB 3.46Å; P457-A461 PolarHBondContact O-N 3.32Å
458	A	96.1	Very high	95.8	Very high	83 Å²	83	66.7 Å²	66.7	69%	0.686	36%	0.358	S	S	*	.	H	α-helix	trans	-68	-38.5	178.5	0	0	0	0	0	112.7	E456 L462	E456-A458 VanDerWaalsContact C-N 3.26Å; E456-A458 PolarHBondContact O-N 2.81Å; E456-A458 VanDerWaalsContact O-N 3.07Å; A458-L462 PolarHBondContact O-N 3.28Å
459	Y	96.6	Very high	95.7	Very high	76 Å²	76	71.7 Å²	71.7	30%	0.298	39%	0.39	S	S	.	.	H	α-helix	trans	-70.7	-41.7	176.4	178.5	-101.3	0	0	0	111.2	V454 E456 A461 L462 M463	V454-Y459 HydrophobicContact CB-CD1 3.89Å; V454-Y459 HydrophobicContact CB-CE1 3.89Å; V454-Y459 HydrophobicContact CG1-CD1 3.68Å; V454-Y459 HydrophobicContact CG1-CE1 4.17Å; V454-Y459 HydrophobicContact CG1-CG 3.88Å; V454-Y459 VanDerWaalsContact O-CD1 3.24Å; V454-Y459 WeakPolarHBondContact O-CD1 3.31Å; V454-Y459 WeakPolarHBondContact O-CE1 3.41Å; E456-Y459 WeakPolarHBondContact O-CB 3.3Å; E456-Y459 PolarHBondContact O-N 3.26Å; Y459-A461 VanDerWaalsContact C-N 3.33Å; Y459-A461 PolarHBondContact O-N 2.85Å; Y459-L462 WeakPolarHBondContact O-CB 3.28Å; Y459-L462 PolarHBondContact O-N 3.08Å; Y459-L462 VanDerWaalsContact O-N 3.13Å; Y459-M463 HydrophobicContact CD1-CG 4.11Å; Y459-M463 HydrophobicContact CE1-CG 3.63Å; Y459-M463 HydrophobicContact CE1-SD 4.48Å; Y459-M463 HydrophobicContact CE2-CE 4.14Å; Y459-M463 HydrophobicContact CE2-CG 4.07Å; Y459-M463 HydrophobicContact CE2-SD 4.23Å; Y459-M463 WeakPolarHBondContact O-CG 3.29Å; Y459-M463 PolarHBondContact O-N 3.15Å
460	V	96.8	Very high	95.5	Very high	7 Å²	7	75.1 Å²	75.1	4%	0.042	41%	0.405	C	S	.	.	H	α-helix	trans	-59.3	-45.1	175.3	177.2	0	0	0	0	110.8	L444 R445 L448 E456 L462 M463 Q464	L444-V460 HydrophobicContact CD2-CG1 4.33Å; L444-V460 HydrophobicContact CG-CG1 4.47Å; R445-V460 HydrophobicContact CB-CG1 4.1Å; R445-V460 HydrophobicContact CB-CG2 4.27Å; R445-V460 HydrophobicContact CG-CG2 4.15Å; L448-V460 HydrophobicContact CD1-CG2 4.14Å; E456-V460 WeakPolarHBondContact O-CG2 3.21Å; E456-V460 PolarHBondContact O-N 3.08Å; V460-L462 VanDerWaalsContact C-N 3.27Å; V460-L462 PolarHBondContact O-N 3.47Å; V460-M463 PolarHBondContact O-N 2.91Å; V460-Q464 HydrophobicContact CG1-CG 4.32Å; V460-Q464 WeakPolarHBondContact O-CG 3.27Å; V460-Q464 PolarHBondContact O-N 3.48Å
461	A	95.2	Very high	95.4	Very high	42 Å²	42	79.6 Å²	79.6	35%	0.347	42%	0.422	S	S	.	.	H	α-helix	trans	-62.4	-33.9	177.2	0	0	0	0	0	112.9	P457 Y459 K465	P457-A461 WeakPolarHBondContact O-CB 3.46Å; P457-A461 PolarHBondContact O-N 3.32Å; Y459-A461 VanDerWaalsContact C-N 3.33Å; Y459-A461 PolarHBondContact O-N 2.85Å; A461-K465 WeakPolarHBondContact O-CG 3.3Å; A461-K465 PolarHBondContact O-N 3.36Å
462	L	95.9	Very high	95.4	Very high	103 Å²	103	83.9 Å²	83.9	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-66.9	-46.7	172.9	-178.4	70.9	0	0	0	111.3	A458 Y459 V460 K465 R466	A458-L462 PolarHBondContact O-N 3.28Å; Y459-L462 WeakPolarHBondContact O-CB 3.28Å; Y459-L462 PolarHBondContact O-N 3.08Å; Y459-L462 VanDerWaalsContact O-N 3.13Å; V460-L462 VanDerWaalsContact C-N 3.27Å; V460-L462 PolarHBondContact O-N 3.47Å; L462-K465 PolarHBondContact O-N 3.43Å; L462-R466 PolarHBondContact O-N 2.93Å
463	M	96.7	Very high	95.4	Very high	6 Å²	6	77.9 Å²	77.9	3%	0.03	42%	0.418	C	S	.	.	H	α-helix	trans	-68.1	-36.3	-179.9	-67.3	-60.3	97	0	0	112.7	L444 Y459 V460 K465 R466 L467 E483 F484	L444-M463 HydrophobicContact CD2-CB 3.89Å; Y459-M463 HydrophobicContact CD1-CG 4.11Å; Y459-M463 HydrophobicContact CE1-CG 3.63Å; Y459-M463 HydrophobicContact CE1-SD 4.48Å; Y459-M463 HydrophobicContact CE2-CE 4.14Å; Y459-M463 HydrophobicContact CE2-CG 4.07Å; Y459-M463 HydrophobicContact CE2-SD 4.23Å; Y459-M463 WeakPolarHBondContact O-CG 3.29Å; Y459-M463 PolarHBondContact O-N 3.15Å; V460-M463 PolarHBondContact O-N 2.91Å; M463-K465 VanDerWaalsContact C-N 3.33Å; M463-K465 PolarHBondContact O-N 2.74Å; M463-R466 PolarHBondContact O-N 2.72Å; M463-R466 VanDerWaalsContact O-N 3.1Å; M463-L467 HydrophobicContact CB-CD1 4.47Å; M463-L467 WeakPolarHBondContact O-CB 3.45Å; M463-L467 WeakPolarHBondContact O-CG 3.44Å; M463-L467 PolarHBondContact O-N 2.95Å; M463-E483 HydrophobicContact SD-CG 4.47Å; M463-F484 HydrophobicContact CB-CZ 4.4Å; M463-F484 HydrophobicContact CG-CZ 4.06Å; M463-F484 HydrophobicContact SD-CE1 4.42Å; M463-F484 HydrophobicContact SD-CZ 4.13Å
464	Q	96.1	Very high	95.5	Very high	60 Å²	60	77.9 Å²	77.9	28%	0.28	42%	0.418	S	S	.	.	H	α-helix	trans	-55.8	-47.7	172.4	-77.8	176	-27.4	0	0	111.2	T441 L444 V460 R466 L467 D468	T441-Q464 PolarHBondContact O-NE2 3.3Å; L444-Q464 HydrophobicContact CB-CG 4.38Å; L444-Q464 HydrophobicContact CD2-CB 4.47Å; L444-Q464 HydrophobicContact CD2-CG 3.67Å; V460-Q464 HydrophobicContact CG1-CG 4.32Å; V460-Q464 WeakPolarHBondContact O-CG 3.27Å; V460-Q464 PolarHBondContact O-N 3.48Å; Q464-R466 VanDerWaalsContact C-N 3.26Å; Q464-R466 PolarHBondContact O-N 2.93Å; Q464-L467 PolarHBondContact O-N 2.9Å; Q464-D468 PolarHBondContact O-N 3.39Å
465	K	94.8	Very high	95.6	Very high	165 Å²	165	73.8 Å²	73.8	72%	0.717	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-29.1	177.3	-70	178.9	180	-177.6	0	113.4	A461 L462 M463 P469	A461-K465 WeakPolarHBondContact O-CG 3.3Å; A461-K465 PolarHBondContact O-N 3.36Å; L462-K465 PolarHBondContact O-N 3.43Å; M463-K465 VanDerWaalsContact C-N 3.33Å; M463-K465 PolarHBondContact O-N 2.74Å; K465-P469 WeakPolarHBondContact O-CA 3.43Å
466	R	95.8	Very high	95.7	Very high	148 Å²	148	76.8 Å²	76.8	56%	0.558	41%	0.407	S	S	*	.	H	α-helix	trans	-79	-40.2	-179.9	-173.5	172.4	-178.8	-176.1	-11.3	112.3	L462 M463 Q464 E483	L462-R466 PolarHBondContact O-N 2.93Å; M463-R466 PolarHBondContact O-N 2.72Å; M463-R466 VanDerWaalsContact O-N 3.1Å; Q464-R466 VanDerWaalsContact C-N 3.26Å; Q464-R466 PolarHBondContact O-N 2.93Å; R466-E483 IonicContact CZ-OE1 3.37Å; R466-E483 IonicContact CZ-OE2 2.91Å; R466-E483 IonicContact NE-OE1 3.22Å; R466-E483 PolarHBondContact NE-OE1 3.41Å; R466-E483 IonicContact NE-OE2 3.42Å; R466-E483 PolarHBondContact NE-OE2 2.94Å; R466-E483 IonicContact NH1-OE1 2.7Å; R466-E483 PolarHBondContact NH1-OE1 2.75Å; R466-E483 IonicContact NH1-OE2 3.26Å; R466-E483 VanDerWaalsContact NH2-CD 3.3Å; R466-E483 IonicContact NH2-OE1 3.43Å; R466-E483 PolarHBondContact NH2-OE1 2.82Å; R466-E483 VanDerWaalsContact NH2-OE1 3.11Å; R466-E483 IonicContact NH2-OE2 2.69Å; R466-E483 PolarHBondContact NH2-OE2 3.05Å
467	L	97	Very high	95.6	Very high	16 Å²	16	70.8 Å²	70.8	8%	0.084	38%	0.379	C	S	.	.	H	α-helix	trans	-85.2	-21.7	-176.8	-66.5	168.2	0	0	0	113.2	L444 M463 Q464 I475 A479 F480 E483 F484	L444-L467 HydrophobicContact CD1-CD1 4.07Å; L444-L467 HydrophobicContact CD2-CD1 4.09Å; M463-L467 HydrophobicContact CB-CD1 4.47Å; M463-L467 WeakPolarHBondContact O-CB 3.45Å; M463-L467 WeakPolarHBondContact O-CG 3.44Å; M463-L467 PolarHBondContact O-N 2.95Å; Q464-L467 PolarHBondContact O-N 2.9Å; L467-I475 HydrophobicContact CB-CD1 4.2Å; L467-I475 HydrophobicContact CB-CG1 4.05Å; L467-I475 HydrophobicContact CB-CG2 4.02Å; L467-I475 HydrophobicContact CD1-CD1 4.15Å; L467-I475 HydrophobicContact CD1-CG2 4.16Å; L467-A479 HydrophobicContact CD2-CB 4.44Å; L467-A479 WeakPolarHBondContact CD2-O 3.48Å; L467-F480 HydrophobicContact CD1-CD2 4.37Å; L467-E483 HydrophobicContact CD2-CB 3.89Å; L467-E483 HydrophobicContact CD2-CG 4.24Å; L467-F484 HydrophobicContact CD1-CE2 3.83Å; L467-F484 HydrophobicContact CD1-CZ 4.42Å
468	D	96.3	Very high	95.4	Very high	12 Å²	12	72.3 Å²	72.3	6%	0.064	38%	0.383	C	S	.	.			trans	-129	68.4	174.5	-177.2	19.1	0	0	0	110.3	T441 Q464 E470 N471 L472 G473 I474	T441-D468 HydrophobicContact CG2-CB 3.76Å; T441-D468 WeakPolarHBondContact CG2-OD2 3.36Å; Q464-D468 PolarHBondContact O-N 3.39Å; D468-E470 PolarHBondContact O-N 3.31Å; D468-N471 PolarHBondContact O-N 2.97Å; D468-N471 VanDerWaalsContact O-N 3.17Å; D468-N471 WeakPolarHBondContact OD1-CA 3.44Å; D468-N471 PolarHBondContact OD1-N 3.25Å; D468-N471 VanDerWaalsContact OD1-N 3.11Å; D468-N471 WeakPolarHBondContact OD2-CA 3.23Å; D468-L472 VanDerWaalsContact CG-N 3.35Å; D468-L472 PolarHBondContact OD1-N 2.82Å; D468-L472 PolarHBondContact OD2-N 3.06Å; D468-L472 VanDerWaalsContact OD2-N 3.1Å; D468-G473 WeakPolarHBondContact OD2-CA 3.37Å; D468-G473 PolarHBondContact OD2-N 2.93Å; D468-I474 WeakPolarHBondContact CB-O 3.29Å
469	P	94.3	Very high	95.3	Very high	105 Å²	105	70.1 Å²	70.1	68%	0.682	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.1	-175.8	27.4	-35.1	0	0	0	113.2	K465	K465-P469 WeakPolarHBondContact O-CA 3.43Å
470	E	93.5	Very high	95.3	Very high	151 Å²	151	66.5 Å²	66.5	71%	0.706	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-3.4	178.5	-66.3	-176.2	-174.7	0	0	112.8	D468 L472	D468-E470 PolarHBondContact O-N 3.31Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 HydrophobicContact CB-CD1 4.32Å; E470-L472 HydrophobicContact CB-CD2 4.28Å; E470-L472 HydrophobicContact CB-CG 3.89Å; E470-L472 PolarHBondContact O-N 3.49Å
471	N	92.4	Very high	95.2	Very high	140 Å²	140	66.3 Å²	66.3	75%	0.749	35%	0.349	S	S	*	.			trans	55.3	44.7	-179.4	-168.6	75.4	0	0	0	112.4	D468 G473	D468-N471 PolarHBondContact O-N 2.97Å; D468-N471 VanDerWaalsContact O-N 3.17Å; D468-N471 WeakPolarHBondContact OD1-CA 3.44Å; D468-N471 PolarHBondContact OD1-N 3.25Å; D468-N471 VanDerWaalsContact OD1-N 3.11Å; D468-N471 WeakPolarHBondContact OD2-CA 3.23Å; N471-G473 VanDerWaalsContact C-N 3.25Å
472	L	94.5	Very high	95.1	Very high	113 Å²	113	69.7 Å²	69.7	59%	0.592	36%	0.362	S	S	*	.			trans	-76.1	-14	175.9	-60.3	178.3	0	0	0	112.4	D468 E470 I474	D468-L472 VanDerWaalsContact CG-N 3.35Å; D468-L472 PolarHBondContact OD1-N 2.82Å; D468-L472 PolarHBondContact OD2-N 3.06Å; D468-L472 VanDerWaalsContact OD2-N 3.1Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 HydrophobicContact CB-CD1 4.32Å; E470-L472 HydrophobicContact CB-CD2 4.28Å; E470-L472 HydrophobicContact CB-CG 3.89Å; E470-L472 PolarHBondContact O-N 3.49Å; L472-I474 VanDerWaalsContact C-N 3.35Å; L472-I474 HydrophobicContact CB-CG1 3.97Å
473	G	95.5	Very high	95	Very high	26 Å²	26	67 Å²	67	27%	0.268	35%	0.346	S	S	.	.	S	Bend	trans	84.4	7.6	-177.6	0	0	0	0	0	114.1	S440 T441 D468 N471	S440-G473 WeakPolarHBondContact CA-O 3.47Å; T441-G473 PolarHBondContact N-O 3.24Å; T441-G473 PolarHBondContact OG1-O 3.13Å; D468-G473 WeakPolarHBondContact OD2-CA 3.37Å; D468-G473 PolarHBondContact OD2-N 2.93Å; N471-G473 VanDerWaalsContact C-N 3.25Å
474	I	96	Very high	94.9	Very high	56 Å²	56	68.4 Å²	68.4	29%	0.287	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.6	-177.6	61.7	170.9	0	0	0	111.8	F438 I439 D468 L472 L476	F438-I474 HydrophobicContact CD2-CB 4.19Å; F438-I474 HydrophobicContact CD2-CG2 3.87Å; F438-I474 HydrophobicContact CE2-CG2 4.12Å; I439-I474 CarbonylContact O-C 3.55Å; I439-I474 WeakPolarHBondContact O-CA 3.48Å; D468-I474 WeakPolarHBondContact CB-O 3.29Å; L472-I474 VanDerWaalsContact C-N 3.35Å; L472-I474 HydrophobicContact CB-CG1 3.97Å; I474-L476 HydrophobicContact CD1-CD2 4.31Å
475	I	96.8	Very high	94.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.3	171.9	-63.9	174.5	0	0	0	107.2	F428 F438 I439 T441 L444 L467 F480	F428-I475 HydrophobicContact CE2-CG2 4.18Å; F428-I475 WeakPolarHBondContact CZ-O 3.16Å; F438-I475 VanDerWaalsContact CA-O 3.23Å; F438-I475 WeakPolarHBondContact CA-O 3.26Å; F438-I475 WeakPolarHBondContact CB-O 3.48Å; I439-I475 HydrophobicContact CG1-CB 4.04Å; I439-I475 PolarHBondContact N-O 2.97Å; I439-I475 PolarHBondContact O-N 3.25Å; T441-I475 HydrophobicContact CG2-CD1 4.17Å; T441-I475 HydrophobicContact CG2-CG1 3.77Å; L444-I475 HydrophobicContact CB-CD1 3.82Å; L444-I475 HydrophobicContact CD1-CD1 3.84Å; L444-I475 HydrophobicContact CD2-CD1 3.83Å; L444-I475 HydrophobicContact CG-CD1 4.02Å; L467-I475 HydrophobicContact CB-CD1 4.2Å; L467-I475 HydrophobicContact CB-CG1 4.05Å; L467-I475 HydrophobicContact CB-CG2 4.02Å; L467-I475 HydrophobicContact CD1-CD1 4.15Å; L467-I475 HydrophobicContact CD1-CG2 4.16Å; I475-F480 HydrophobicContact CG2-CB 4.06Å
476	L	96.4	Very high	94.3	Very high	95 Å²	95	63.8 Å²	63.8	50%	0.497	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141.6	177.5	-59	180	0	0	0	110.6	F438 I474 N478 A479 F480	F438-L476 HydrophobicContact CB-CD2 4.04Å; I474-L476 HydrophobicContact CD1-CD2 4.31Å; L476-N478 VanDerWaalsContact C-N 3.32Å; L476-N478 PolarHBondContact O-N 3Å; L476-A479 HydrophobicContact CB-CB 4.27Å; L476-A479 PolarHBondContact O-N 3.18Å; L476-F480 PolarHBondContact O-N 3.37Å
477	L	94.5	Very high	93.2	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-53.6	-48.3	177.8	173.9	62.1	0	0	0	111.6	R425 F428 N437 A479 F480 M481	R425-L477 HydrophobicContact CG-CD1 4.28Å; F428-L477 HydrophobicContact CB-CD1 3.84Å; F428-L477 HydrophobicContact CD1-CB 4.05Å; F428-L477 HydrophobicContact CD1-CD1 3.45Å; F428-L477 VanDerWaalsContact CD1-CD1 3.45Å; F428-L477 HydrophobicContact CD1-CG 4.27Å; F428-L477 HydrophobicContact CD2-CD1 4.18Å; F428-L477 HydrophobicContact CE1-CB 3.67Å; F428-L477 HydrophobicContact CE1-CD1 3.97Å; F428-L477 HydrophobicContact CE1-CG 4.38Å; F428-L477 HydrophobicContact CG-CD1 3.55Å; F428-L477 HydrophobicContact CZ-CB 4.07Å; N437-L477 HydrophobicContact CB-CB 4.06Å; N437-L477 HydrophobicContact CB-CD2 4.32Å; N437-L477 WeakPolarHBondContact O-CB 3.36Å; N437-L477 PolarHBondContact O-N 3.02Å; L477-A479 PolarHBondContact O-N 2.99Å; L477-F480 WeakPolarHBondContact O-CB 3.49Å; L477-F480 PolarHBondContact O-N 3.32Å; L477-M481 HydrophobicContact CD1-CG 3.83Å; L477-M481 HydrophobicContact CD1-SD 4.12Å; L477-M481 HydrophobicContact CG-CG 4.27Å; L477-M481 VanDerWaalsContact O-CG 3.25Å; L477-M481 WeakPolarHBondContact O-CG 3.23Å; L477-M481 PolarHBondContact O-N 3.28Å
478	N	92.6	Very high	91.9	Very high	108 Å²	108	67.4 Å²	67.4	58%	0.578	37%	0.368	S	S	*	.	H	α-helix	trans	-62.6	-45.2	-177.6	-68.9	-14.6	0	0	0	111.8	L476 F480 M481 D482	L476-N478 VanDerWaalsContact C-N 3.32Å; L476-N478 PolarHBondContact O-N 3Å; N478-F480 VanDerWaalsContact C-N 3.29Å; N478-F480 PolarHBondContact O-N 3.2Å; N478-M481 PolarHBondContact O-N 3.19Å; N478-M481 VanDerWaalsContact O-N 3.14Å; N478-D482 WeakPolarHBondContact O-CB 3.29Å; N478-D482 PolarHBondContact O-N 3.48Å
479	A	94.5	Very high	90.4	Very high	37 Å²	37	71.9 Å²	71.9	31%	0.306	40%	0.4	S	S	.	.	H	α-helix	trans	-60.8	-39.6	176.8	0	0	0	0	0	112.2	L467 L476 L477 E483	L467-A479 HydrophobicContact CD2-CB 4.44Å; L467-A479 WeakPolarHBondContact CD2-O 3.48Å; L476-A479 HydrophobicContact CB-CB 4.27Å; L476-A479 PolarHBondContact O-N 3.18Å; L477-A479 PolarHBondContact O-N 2.99Å; A479-E483 WeakPolarHBondContact O-CB 3.43Å; A479-E483 PolarHBondContact O-N 3.4Å
480	F	96.2	Very high	89.1	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-46.3	173.8	178.1	-90.3	0	0	0	112	F428 L444 V447 L448 L451 L467 I475 L476 L477 N478 E483 F484 F485	F428-F480 HydrophobicContact CD2-CB 3.97Å; F428-F480 AromaticContact CD2-CD1 3.6Å; F428-F480 HydrophobicContact CD2-CD1 3.6Å; F428-F480 HydrophobicContact CD2-CD2 4.09Å; F428-F480 HydrophobicContact CD2-CE1 4.11Å; F428-F480 AromaticContact CD2-CG 3.6Å; F428-F480 HydrophobicContact CD2-CG 3.6Å; F428-F480 HydrophobicContact CE2-CB 3.67Å; F428-F480 HydrophobicContact CE2-CD1 4.2Å; F428-F480 HydrophobicContact CE2-CD2 4.17Å; F428-F480 AromaticContact CE2-CG 3.75Å; F428-F480 HydrophobicContact CE2-CG 3.75Å; F428-F480 HydrophobicContact CG-CD1 4.44Å; L444-F480 HydrophobicContact CD1-CD2 4.1Å; L444-F480 HydrophobicContact CD1-CE2 3.93Å; V447-F480 HydrophobicContact CG1-CE1 4.46Å; V447-F480 HydrophobicContact CG1-CE2 3.93Å; V447-F480 HydrophobicContact CG1-CZ 3.72Å; L448-F480 HydrophobicContact CD2-CE2 4.23Å; L451-F480 HydrophobicContact CD1-CE1 3.82Å; L451-F480 HydrophobicContact CD1-CZ 3.46Å; L451-F480 VanDerWaalsContact CD1-CZ 3.46Å; L467-F480 HydrophobicContact CD1-CD2 4.37Å; I475-F480 HydrophobicContact CG2-CB 4.06Å; L476-F480 PolarHBondContact O-N 3.37Å; L477-F480 WeakPolarHBondContact O-CB 3.49Å; L477-F480 PolarHBondContact O-N 3.32Å; N478-F480 VanDerWaalsContact C-N 3.29Å; N478-F480 PolarHBondContact O-N 3.2Å; F480-E483 PolarHBondContact O-N 2.86Å; F480-F484 HydrophobicContact CD1-CD2 4.36Å; F480-F484 AromaticContact CD2-CD2 3.54Å; F480-F484 HydrophobicContact CD2-CD2 3.54Å; F480-F484 AromaticContact CD2-CE2 3.56Å; F480-F484 HydrophobicContact CD2-CE2 3.56Å; F480-F484 HydrophobicContact CE1-CD2 4.22Å; F480-F484 AromaticContact CE2-CD2 3.35Å; F480-F484 HydrophobicContact CE2-CD2 3.35Å; F480-F484 AromaticContact CE2-CE2 3.41Å; F480-F484 HydrophobicContact CE2-CE2 3.41Å; F480-F484 VanDerWaalsContact CE2-CE2 3.41Å; F480-F484 HydrophobicContact CE2-CG 4.36Å; F480-F484 HydrophobicContact CE2-CZ 4.46Å; F480-F484 HydrophobicContact CG-CD2 4.04Å; F480-F484 HydrophobicContact CG-CE2 4.44Å; F480-F484 AromaticContact CZ-CD2 3.7Å; F480-F484 HydrophobicContact CZ-CD2 3.7Å; F480-F484 HydrophobicContact CZ-CE2 4.18Å; F480-F484 HydrophobicContact CZ-CG 4.36Å; F480-F484 VanDerWaalsContact O-CD2 3.32Å; F480-F484 WeakPolarHBondContact O-CD2 3.43Å; F480-F484 PolarHBondContact O-N 3.29Å; F480-F484 VanDerWaalsContact O-N 3.07Å; F480-F485 AromaticContact CE1-CE2 3.98Å; F480-F485 HydrophobicContact CE1-CE2 3.98Å
481	M	94.2	Very high	88.4	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.015	38%	0.38	C	S	.	.	H	α-helix	trans	-65.7	-41.8	-179.5	-66.1	-49.8	-56.8	0	0	112.2	S421 R425 L477 N478 E483 F485	S421-M481 WeakPolarHBondContact O-CE 3.33Å; R425-M481 HydrophobicContact CB-SD 4.46Å; R425-M481 HydrophobicContact CG-CE 3.75Å; R425-M481 HydrophobicContact CG-CG 3.94Å; R425-M481 HydrophobicContact CG-SD 3.6Å; R425-M481 VanDerWaalsContact CG-SD 3.6Å; L477-M481 HydrophobicContact CD1-CG 3.83Å; L477-M481 HydrophobicContact CD1-SD 4.12Å; L477-M481 HydrophobicContact CG-CG 4.27Å; L477-M481 VanDerWaalsContact O-CG 3.25Å; L477-M481 WeakPolarHBondContact O-CG 3.23Å; L477-M481 PolarHBondContact O-N 3.28Å; N478-M481 PolarHBondContact O-N 3.19Å; N478-M481 VanDerWaalsContact O-N 3.14Å; M481-E483 VanDerWaalsContact C-N 3.25Å; M481-E483 PolarHBondContact O-N 2.99Å; M481-F485 HydrophobicContact CE-CB 3.84Å; M481-F485 HydrophobicContact CE-CD2 3.43Å; M481-F485 VanDerWaalsContact CE-CD2 3.43Å; M481-F485 HydrophobicContact CE-CE2 4.19Å; M481-F485 HydrophobicContact CE-CG 3.77Å; M481-F485 CarbonylContact O-C 3.27Å; M481-F485 VanDerWaalsContact O-C 3.27Å; M481-F485 VanDerWaalsContact O-CA 3.27Å; M481-F485 WeakPolarHBondContact O-CA 3.31Å; M481-F485 WeakPolarHBondContact O-CB 3.39Å; M481-F485 PolarHBondContact O-N 2.96Å; M481-F485 HydrophobicContact SD-CD2 4.02Å; M481-F485 HydrophobicContact SD-CE2 4.47Å
482	D	92.4	Very high	88.1	Confident	113 Å²	113	64.3 Å²	64.3	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-63.6	-33.2	178.4	-65.7	-17.8	0	0	0	111.7	N478 P486	N478-D482 WeakPolarHBondContact O-CB 3.29Å; N478-D482 PolarHBondContact O-N 3.48Å; D482-P486 WeakPolarHBondContact O-CB 3.17Å
483	E	94.9	Very high	88	Confident	46 Å²	46	59.7 Å²	59.7	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-76.6	-48.7	179.7	-176.6	60.1	-153.5	0	0	112.8	M463 R466 L467 A479 F480 M481	M463-E483 HydrophobicContact SD-CG 4.47Å; R466-E483 IonicContact CZ-OE1 3.37Å; R466-E483 IonicContact CZ-OE2 2.91Å; R466-E483 IonicContact NE-OE1 3.22Å; R466-E483 PolarHBondContact NE-OE1 3.41Å; R466-E483 IonicContact NE-OE2 3.42Å; R466-E483 PolarHBondContact NE-OE2 2.94Å; R466-E483 IonicContact NH1-OE1 2.7Å; R466-E483 PolarHBondContact NH1-OE1 2.75Å; R466-E483 IonicContact NH1-OE2 3.26Å; R466-E483 VanDerWaalsContact NH2-CD 3.3Å; R466-E483 IonicContact NH2-OE1 3.43Å; R466-E483 PolarHBondContact NH2-OE1 2.82Å; R466-E483 VanDerWaalsContact NH2-OE1 3.11Å; R466-E483 IonicContact NH2-OE2 2.69Å; R466-E483 PolarHBondContact NH2-OE2 3.05Å; L467-E483 HydrophobicContact CD2-CB 3.89Å; L467-E483 HydrophobicContact CD2-CG 4.24Å; A479-E483 WeakPolarHBondContact O-CB 3.43Å; A479-E483 PolarHBondContact O-N 3.4Å; F480-E483 PolarHBondContact O-N 2.86Å; M481-E483 VanDerWaalsContact C-N 3.25Å; M481-E483 PolarHBondContact O-N 2.99Å
484	F	94.5	Very high	87.8	Confident	35 Å²	35	63.4 Å²	63.4	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-95.3	-18.3	-171.7	-65.9	-73.1	0	0	0	113.9	L448 L453 M463 L467 F480 P486	L448-F484 HydrophobicContact CD2-CD1 4.29Å; L448-F484 HydrophobicContact CD2-CE1 3.76Å; L448-F484 HydrophobicContact CD2-CE2 4.05Å; L448-F484 HydrophobicContact CD2-CZ 3.64Å; L453-F484 HydrophobicContact CD1-CB 4.27Å; L453-F484 HydrophobicContact CD1-CD1 3.96Å; L453-F484 HydrophobicContact CD1-CG 4.16Å; M463-F484 HydrophobicContact CB-CZ 4.4Å; M463-F484 HydrophobicContact CG-CZ 4.06Å; M463-F484 HydrophobicContact SD-CE1 4.42Å; M463-F484 HydrophobicContact SD-CZ 4.13Å; L467-F484 HydrophobicContact CD1-CE2 3.83Å; L467-F484 HydrophobicContact CD1-CZ 4.42Å; F480-F484 HydrophobicContact CD1-CD2 4.36Å; F480-F484 AromaticContact CD2-CD2 3.54Å; F480-F484 HydrophobicContact CD2-CD2 3.54Å; F480-F484 AromaticContact CD2-CE2 3.56Å; F480-F484 HydrophobicContact CD2-CE2 3.56Å; F480-F484 HydrophobicContact CE1-CD2 4.22Å; F480-F484 AromaticContact CE2-CD2 3.35Å; F480-F484 HydrophobicContact CE2-CD2 3.35Å; F480-F484 AromaticContact CE2-CE2 3.41Å; F480-F484 HydrophobicContact CE2-CE2 3.41Å; F480-F484 VanDerWaalsContact CE2-CE2 3.41Å; F480-F484 HydrophobicContact CE2-CG 4.36Å; F480-F484 HydrophobicContact CE2-CZ 4.46Å; F480-F484 HydrophobicContact CG-CD2 4.04Å; F480-F484 HydrophobicContact CG-CE2 4.44Å; F480-F484 AromaticContact CZ-CD2 3.7Å; F480-F484 HydrophobicContact CZ-CD2 3.7Å; F480-F484 HydrophobicContact CZ-CE2 4.18Å; F480-F484 HydrophobicContact CZ-CG 4.36Å; F480-F484 VanDerWaalsContact O-CD2 3.32Å; F480-F484 WeakPolarHBondContact O-CD2 3.43Å; F480-F484 PolarHBondContact O-N 3.29Å; F480-F484 VanDerWaalsContact O-N 3.07Å; F484-P486 VanDerWaalsContact C-CD 3.48Å
485	F	92.3	Very high	87.8	Confident	36 Å²	36	64.8 Å²	64.8	16%	0.158	35%	0.354	C	S	.	.			trans	-137.3	53	-175.8	-55.5	-84.6	0	0	0	113.3	P420 S421 L451 L453 F480 M481 L487	P420-F485 HydrophobicContact CB-CD1 4.16Å; P420-F485 HydrophobicContact CB-CE1 4.01Å; P420-F485 VanDerWaalsContact O-CE1 3.23Å; P420-F485 WeakPolarHBondContact O-CE1 3.19Å; S421-F485 WeakPolarHBondContact OG-CB 3.43Å; L451-F485 HydrophobicContact CD1-CE2 4.44Å; L451-F485 HydrophobicContact CD1-CZ 4.46Å; L451-F485 HydrophobicContact CD2-CZ 4.26Å; L453-F485 HydrophobicContact CD1-CZ 4.37Å; F480-F485 AromaticContact CE1-CE2 3.98Å; F480-F485 HydrophobicContact CE1-CE2 3.98Å; M481-F485 HydrophobicContact CE-CB 3.84Å; M481-F485 HydrophobicContact CE-CD2 3.43Å; M481-F485 VanDerWaalsContact CE-CD2 3.43Å; M481-F485 HydrophobicContact CE-CE2 4.19Å; M481-F485 HydrophobicContact CE-CG 3.77Å; M481-F485 CarbonylContact O-C 3.27Å; M481-F485 VanDerWaalsContact O-C 3.27Å; M481-F485 VanDerWaalsContact O-CA 3.27Å; M481-F485 WeakPolarHBondContact O-CA 3.31Å; M481-F485 WeakPolarHBondContact O-CB 3.39Å; M481-F485 PolarHBondContact O-N 2.96Å; M481-F485 HydrophobicContact SD-CD2 4.02Å; M481-F485 HydrophobicContact SD-CE2 4.47Å; F485-L487 VanDerWaalsContact C-N 3.35Å; F485-L487 PolarHBondContact O-N 3.28Å
486	P	85.7	Confident	87.8	Confident	92 Å²	92	65.4 Å²	65.4	60%	0.597	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.7	-171.8	25.6	-34.6	0	0	0	116	D482 F484	D482-P486 WeakPolarHBondContact O-CB 3.17Å; F484-P486 VanDerWaalsContact C-CD 3.48Å
487	L	73.4	Confident	87.8	Confident	161 Å²	161	66 Å²	66	84%	0.843	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	29.3	-161.9	-69.6	174	0	0	0	114.5	F485 S489	F485-L487 VanDerWaalsContact C-N 3.35Å; F485-L487 PolarHBondContact O-N 3.28Å; L487-S489 PolarHBondContact O-N 2.93Å
488	E	68.3	Low	88	Confident	80 Å²	80	65.7 Å²	65.7	37%	0.374	36%	0.355	S	S	.	.			trans	-69.8	109.7	-176.2	-165.1	160.1	-111.7	0	0	112.4	T419 S421 R490	T419-E488 WeakPolarHBondContact CB-OE1 3.4Å; T419-E488 PolarHBondContact OG1-OE1 3.45Å; S421-E488 WeakPolarHBondContact CB-OE1 3.29Å; S421-E488 WeakPolarHBondContact CB-OE2 3.18Å; S421-E488 PolarHBondContact N-OE1 2.83Å; S421-E488 PolarHBondContact OG-OE1 2.7Å; S421-E488 PolarHBondContact OG-OE2 3.09Å; E488-R490 PolarHBondContact O-N 3.45Å
489	S	64.5	Low	88.2	Confident	105 Å²	105	62.4 Å²	62.4	73%	0.734	34%	0.337	S	S	*	.			trans	-68.2	120.6	174.4	57.2	0	0	0	0	109.6	L487 S491	L487-S489 PolarHBondContact O-N 2.93Å; S489-S491 PolarHBondContact O-N 3.14Å; S489-S491 VanDerWaalsContact O-N 3.16Å
490	R	67.7	Low	88.3	Confident	156 Å²	156	60.6 Å²	60.6	59%	0.589	32%	0.322	S	S	*	.			trans	-61.7	116.5	167.8	-66	-176.5	-179.2	-175.2	0.7	108.5	E488 T492	E488-R490 PolarHBondContact O-N 3.45Å; R490-T492 VanDerWaalsContact C-N 3.29Å
491	S	78.4	Confident	88.4	Confident	55 Å²	55	60.7 Å²	60.7	39%	0.385	32%	0.322	S	S	.	.			trans	-72.7	-30.4	171.5	64.5	0	0	0	0	111.3	R413 S489	R413-S491 WeakPolarHBondContact CB-O 3.39Å; R413-S491 PolarHBondContact O-OG 3.23Å; S489-S491 PolarHBondContact O-N 3.14Å; S489-S491 VanDerWaalsContact O-N 3.16Å
492	T	86.9	Confident	88.6	Confident	27 Å²	27	60.6 Å²	60.6	17%	0.166	32%	0.322	C	S	.	.	S	Bend	trans	-67.6	126.2	-175.8	-49	0	0	0	0	110.4	L414 R490 F496 L522	L414-T492 HydrophobicContact CD2-CG2 3.63Å; R490-T492 VanDerWaalsContact C-N 3.29Å; T492-F496 HydrophobicContact CG2-CD1 4.4Å; T492-F496 HydrophobicContact CG2-CE1 3.95Å; T492-L522 HydrophobicContact CG2-CD1 3.63Å
493	P	92.5	Very high	88.8	Confident	16 Å²	16	55.3 Å²	55.3	10%	0.104	29%	0.294	C	S	.	.			trans	-65.6	154.3	173.9	28.4	-34.8	0	0	0	111.6	E411 L414 T495 F496	E411-P493 HydrophobicContact CG-CG 3.86Å; L414-P493 HydrophobicContact CD2-CG 4.41Å; P493-T495 PolarHBondContact O-N 3.13Å; P493-F496 HydrophobicContact CG-CB 4.16Å; P493-F496 HydrophobicContact CG-CD1 4.24Å
494	D	92.1	Very high	88.9	Confident	103 Å²	103	54.6 Å²	54.6	55%	0.551	29%	0.291	S	S	*	.	S	Bend	trans	-65.1	-28.7	177.9	-57.6	-34	0	0	0	112.3	I521 L522	D494-I521 CarbonylContact O-C 3.53Å; D494-I521 VanDerWaalsContact O-CA 3.32Å; D494-I521 WeakPolarHBondContact O-CA 3.33Å; D494-L522 PolarHBondContact O-N 3.32Å
495	T	95.8	Very high	89	Confident	86 Å²	86	54.5 Å²	54.5	53%	0.528	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.1	176.3	61.5	0	0	0	0	111.4	P493 A520 I521	P493-T495 PolarHBondContact O-N 3.13Å; T495-A520 WeakPolarHBondContact CA-O 3.41Å; T495-I521 HydrophobicContact CG2-CG1 4.07Å; T495-I521 HydrophobicContact CG2-CG2 4.27Å
496	F	96.8	Very high	89	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	164	179.3	53.8	-89.1	0	0	0	111.8	E411 L414 T492 P493 L498 A520 L522 W544 I547	E411-F496 HydrophobicContact CB-CB 4.42Å; E411-F496 HydrophobicContact CG-CB 4.37Å; L414-F496 HydrophobicContact CD1-CD2 3.64Å; L414-F496 HydrophobicContact CD1-CE2 3.87Å; L414-F496 HydrophobicContact CD1-CG 4.28Å; L414-F496 HydrophobicContact CD2-CB 4.11Å; L414-F496 HydrophobicContact CD2-CD1 3.68Å; L414-F496 HydrophobicContact CD2-CD2 3.68Å; L414-F496 HydrophobicContact CD2-CE1 3.89Å; L414-F496 HydrophobicContact CD2-CE2 3.89Å; L414-F496 HydrophobicContact CD2-CG 3.57Å; L414-F496 HydrophobicContact CD2-CZ 4Å; L414-F496 HydrophobicContact CG-CD2 4.29Å; L414-F496 HydrophobicContact CG-CG 4.5Å; T492-F496 HydrophobicContact CG2-CD1 4.4Å; T492-F496 HydrophobicContact CG2-CE1 3.95Å; P493-F496 HydrophobicContact CG-CB 4.16Å; P493-F496 HydrophobicContact CG-CD1 4.24Å; F496-L498 HydrophobicContact CD2-CD2 4.05Å; F496-L498 HydrophobicContact CD2-CG 3.88Å; F496-L498 HydrophobicContact CE2-CD1 3.8Å; F496-L498 HydrophobicContact CE2-CD2 3.81Å; F496-L498 HydrophobicContact CE2-CG 3.64Å; F496-A520 HydrophobicContact CD1-CB 4.49Å; F496-A520 HydrophobicContact CD2-CB 3.84Å; F496-A520 HydrophobicContact CE1-CB 4.26Å; F496-A520 HydrophobicContact CE2-CB 3.56Å; F496-A520 HydrophobicContact CG-CB 4.31Å; F496-A520 HydrophobicContact CZ-CB 3.79Å; F496-A520 PolarHBondContact N-O 2.91Å; F496-A520 VanDerWaalsContact N-O 3.11Å; F496-A520 PolarHBondContact O-N 3.34Å; F496-L522 HydrophobicContact CE1-CD1 4.15Å; F496-L522 HydrophobicContact CE1-CD2 4.02Å; F496-L522 HydrophobicContact CE1-CG 3.87Å; F496-L522 HydrophobicContact CZ-CD2 4.27Å; F496-W544 HydrophobicContact CE2-CH2 4.18Å; F496-W544 HydrophobicContact CE2-CZ2 4.21Å; F496-W544 HydrophobicContact CE2-CZ3 4.47Å; F496-W544 HydrophobicContact CZ-CD2 4.21Å; F496-W544 HydrophobicContact CZ-CE3 4.49Å; F496-W544 HydrophobicContact CZ-CH2 4.42Å; F496-W544 HydrophobicContact CZ-CZ2 4.12Å; F496-I547 HydrophobicContact CE2-CD1 4.39Å; F496-I547 HydrophobicContact CZ-CD1 3.99Å
497	E	96.5	Very high	89.4	Confident	109 Å²	109	52.2 Å²	52.2	51%	0.509	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.9	175.3	-64.7	-174	135.8	0	0	110.9	S409 G518	S409-E497 VanDerWaalsContact CB-O 3.31Å; S409-E497 WeakPolarHBondContact CB-O 3.06Å; S409-E497 PolarHBondContact OG-O 3.2Å; E497-G518 WeakPolarHBondContact CA-O 3.25Å
498	L	97.3	Very high	90.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138	171.5	-73.2	178.7	0	0	0	109.4	L407 L414 F496 C517 G518 A520 L540 W544 I547 I549	L407-L498 HydrophobicContact CD1-CB 4.15Å; L407-L498 HydrophobicContact CD1-CD1 4.31Å; L407-L498 HydrophobicContact CD1-CD2 4.4Å; L407-L498 HydrophobicContact CD2-CD1 4.26Å; L407-L498 HydrophobicContact CD2-CD2 4.1Å; L407-L498 HydrophobicContact CG-CD2 4.17Å; L414-L498 HydrophobicContact CD1-CD2 4.12Å; F496-L498 HydrophobicContact CD2-CD2 4.05Å; F496-L498 HydrophobicContact CD2-CG 3.88Å; F496-L498 HydrophobicContact CE2-CD1 3.8Å; F496-L498 HydrophobicContact CE2-CD2 3.81Å; F496-L498 HydrophobicContact CE2-CG 3.64Å; L498-C517 CarbonylContact O-C 3.37Å; L498-C517 WeakPolarHBondContact O-CA 3.23Å; L498-G518 PolarHBondContact N-O 2.54Å; L498-G518 PolarHBondContact O-N 3.27Å; L498-A520 HydrophobicContact CD1-CB 4.09Å; L498-A520 HydrophobicContact CG-CB 4.35Å; L498-L540 HydrophobicContact CD1-CD1 4.33Å; L498-L540 HydrophobicContact CD1-CD2 4.07Å; L498-W544 HydrophobicContact CD1-CZ3 4.06Å; L498-W544 HydrophobicContact CD2-CH2 4.13Å; L498-W544 HydrophobicContact CD2-CZ3 4.39Å; L498-I547 HydrophobicContact CD1-CD1 4.05Å; L498-I549 HydrophobicContact CB-CD1 4.08Å; L498-I549 HydrophobicContact CD1-CD1 4Å
499	M	97	Very high	91.5	Very high	38 Å²	38	45.5 Å²	45.5	19%	0.187	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.9	173.8	-61.1	-66.8	-63.9	0	0	109.1	L407 F408 Y516 C517	L407-M499 CarbonylContact C-O 3.56Å; L407-M499 WeakPolarHBondContact CA-O 3.24Å; F408-M499 HydrophobicContact CD1-CB 3.73Å; F408-M499 WeakPolarHBondContact CD1-O 3.26Å; F408-M499 HydrophobicContact CD2-CB 3.89Å; F408-M499 HydrophobicContact CD2-CG 4.29Å; F408-M499 HydrophobicContact CE1-CB 3.3Å; F408-M499 HydrophobicContact CE1-CG 4.39Å; F408-M499 HydrophobicContact CE2-CB 3.48Å; F408-M499 VanDerWaalsContact CE2-CB 3.48Å; F408-M499 HydrophobicContact CE2-CG 3.73Å; F408-M499 HydrophobicContact CG-CB 4.02Å; F408-M499 HydrophobicContact CZ-CB 3.17Å; F408-M499 HydrophobicContact CZ-CG 3.79Å; F408-M499 PolarHBondContact N-O 2.88Å; F408-M499 PolarHBondContact O-N 2.75Å; M499-Y516 CarbonylContact C-O 3.55Å; M499-Y516 VanDerWaalsContact CA-O 3.27Å; M499-Y516 WeakPolarHBondContact CA-O 3.39Å; M499-C517 HydrophobicContact CE-CB 4.13Å; M499-C517 HydrophobicContact SD-CB 3.38Å; M499-C517 WeakPolarHBondContact SD-CB 3.45Å; M499-C517 PolarHBondContact SD-SG 3.16Å
500	H	97.8	Very high	92.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.4	179.2	179.2	-96.7	0	0	0	111.6	T405 V406 L407 Y515 Y516 M536 W551 P557 S558	T405-H500 VanDerWaalsContact CB-NE2 3.26Å; T405-H500 WeakPolarHBondContact CB-NE2 3.4Å; T405-H500 PolarHBondContact OG1-NE2 3Å; V406-H500 CarbonylContact O-C 3.47Å; V406-H500 WeakPolarHBondContact O-CA 3.37Å; L407-H500 HydrophobicContact CD1-CB 4.5Å; H500-Y515 VanDerWaalsContact O-CA 3.31Å; H500-Y515 WeakPolarHBondContact O-CA 3.46Å; H500-Y516 PolarHBondContact N-O 3.22Å; H500-Y516 PolarHBondContact O-N 2.92Å; H500-M536 VanDerWaalsContact CD2-CE 3.48Å; H500-M536 WeakPolarHBondContact CD2-CE 3.43Å; H500-M536 VanDerWaalsContact NE2-CE 3.26Å; H500-M536 WeakPolarHBondContact NE2-CE 3.43Å; H500-W551 HydrophobicContact CB-CH2 3.65Å; H500-W551 HydrophobicContact CB-CZ3 3.87Å; H500-P557 HydrophobicContact CB-CB 4.42Å; H500-P557 HydrophobicContact CB-CG 4.36Å; H500-P557 WeakPolarHBondContact ND1-CB 3.27Å; H500-S558 PolarHBondContact CE1-O 3.36Å
501	Y	98	Very high	94	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129	175.4	158.1	-90	0	0	0	110	A130 L131 Q146 T405 V406 G503 V513 Y515	A130-Y501 HydrophobicContact CB-CD2 4.08Å; A130-Y501 HydrophobicContact CB-CE2 3.93Å; L131-Y501 WeakPolarHBondContact O-CE2 3.31Å; L131-Y501 PolarHBondContact O-OH 2.88Å; Q146-Y501 HydrophobicContact CB-CD1 4.35Å; Q146-Y501 HydrophobicContact CB-CE1 3.88Å; Q146-Y501 HydrophobicContact CG-CD1 3.65Å; Q146-Y501 HydrophobicContact CG-CD2 4.09Å; Q146-Y501 HydrophobicContact CG-CE1 3.55Å; Q146-Y501 HydrophobicContact CG-CE2 3.97Å; Q146-Y501 HydrophobicContact CG-CG 3.92Å; T405-Y501 WeakPolarHBondContact CB-O 3.46Å; V406-Y501 HydrophobicContact CB-CD1 3.9Å; V406-Y501 HydrophobicContact CG2-CD1 3.83Å; V406-Y501 HydrophobicContact CG2-CE1 4.32Å; V406-Y501 PolarHBondContact N-O 2.85Å; V406-Y501 PolarHBondContact O-N 3.42Å; Y501-G503 VanDerWaalsContact CZ-CA 3.4Å; Y501-G503 VanDerWaalsContact OH-CA 3.25Å; Y501-G503 WeakPolarHBondContact OH-CA 3.25Å; Y501-V513 HydrophobicContact CD2-CG1 4.12Å; Y501-V513 HydrophobicContact CE2-CG1 3.75Å; Y501-Y515 AromaticContact CD2-CE1 4Å; Y501-Y515 HydrophobicContact CD2-CE1 4Å; Y501-Y515 HydrophobicContact CG-CE1 4.28Å
502	N	97.4	Very high	94.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.253	C	S	.	.			trans	-122.2	119	163.7	-171.6	-26.3	0	0	0	109.9	H403 T405 I504 S507 N508 S558 N560	H403-N502 PolarHBondContact NE2-OD1 3.31Å; T405-N502 HydrophobicContact CG2-CB 3.87Å; N502-I504 VanDerWaalsContact C-N 3.26Å; N502-I504 PolarHBondContact O-N 3.08Å; N502-I504 PolarHBondContact OD1-N 3.41Å; N502-S507 WeakPolarHBondContact ND2-CB 3.09Å; N502-N508 PolarHBondContact O-ND2 2.98Å; N502-S558 PolarHBondContact ND2-O 3.31Å; N502-S558 VanDerWaalsContact ND2-O 3.13Å; N502-N560 VanDerWaalsContact ND2-C 3.34Å; N502-N560 PolarHBondContact ND2-O 2.7Å; N502-N560 PolarHBondContact ND2-OXT 3Å
503	G	97.6	Very high	95.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	25%	0.245	C	C	.	.			trans	-71.2	-13	-177	0	0	0	0	0	115.3	Q133 Y501 P505 V513	Q133-G503 PolarHBondContact N-O 2.73Å; Y501-G503 VanDerWaalsContact CZ-CA 3.4Å; Y501-G503 VanDerWaalsContact OH-CA 3.25Å; Y501-G503 WeakPolarHBondContact OH-CA 3.25Å; G503-P505 WeakPolarHBondContact O-CD 3.41Å; G503-V513 WeakPolarHBondContact O-CG2 3.39Å
504	I	96.5	Very high	95.3	Very high	31 Å²	31	46.5 Å²	46.5	16%	0.159	25%	0.251	C	S	.	.			trans	-86.3	117.3	-178.8	-65.4	177.1	0	0	0	109.5	Q133 H403 N502 G506 S507 N508	Q133-I504 HydrophobicContact CB-CG1 4.27Å; Q133-I504 HydrophobicContact CG-CG1 4.11Å; H403-I504 WeakPolarHBondContact CE1-CD1 3.32Å; N502-I504 VanDerWaalsContact C-N 3.26Å; N502-I504 PolarHBondContact O-N 3.08Å; N502-I504 PolarHBondContact OD1-N 3.41Å; I504-G506 VanDerWaalsContact C-N 3.29Å; I504-G506 PolarHBondContact O-N 2.99Å; I504-S507 WeakPolarHBondContact CG2-OG 3.48Å; I504-S507 WeakPolarHBondContact O-CB 3.48Å; I504-S507 PolarHBondContact O-N 2.85Å; I504-N508 PolarHBondContact O-ND2 2.92Å
505	P	95.7	Very high	95.5	Very high	34 Å²	34	42.6 Å²	42.6	22%	0.221	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-55	-41.9	-178.6	-25.5	32.3	0	0	0	113.5	V132 Q133 G503 S507 N508 N511 K512 V513	V132-P505 HydrophobicContact CG1-CG 3.84Å; Q133-P505 WeakPolarHBondContact O-CD 3.44Å; G503-P505 WeakPolarHBondContact O-CD 3.41Å; P505-S507 PolarHBondContact O-N 3.01Å; P505-N508 PolarHBondContact O-N 3.26Å; P505-N511 WeakPolarHBondContact CB-O 3.5Å; P505-N511 CarbonylContact O-C 3.49Å; P505-N511 WeakPolarHBondContact O-CA 3.48Å; P505-K512 PolarHBondContact O-N 2.63Å; P505-V513 HydrophobicContact CG-CG2 4.08Å
506	G	93.8	Very high	95.5	Very high	54 Å²	54	39.5 Å²	39.5	56%	0.557	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-64.7	-16.8	-179.8	0	0	0	0	0	115.5	I504 N508 N511	I504-G506 VanDerWaalsContact C-N 3.29Å; I504-G506 PolarHBondContact O-N 2.99Å; G506-N508 VanDerWaalsContact C-N 3.3Å; G506-N511 WeakPolarHBondContact CA-OD1 3.38Å
507	S	93.3	Very high	95.5	Very high	25 Å²	25	40.2 Å²	40.2	18%	0.175	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-90.8	2.1	177.1	-52.5	0	0	0	0	112.8	N502 I504 P505 N560	N502-S507 WeakPolarHBondContact ND2-CB 3.09Å; I504-S507 WeakPolarHBondContact CG2-OG 3.48Å; I504-S507 WeakPolarHBondContact O-CB 3.48Å; I504-S507 PolarHBondContact O-N 2.85Å; P505-S507 PolarHBondContact O-N 3.01Å; S507-N560 WeakPolarHBondContact CB-O 3.45Å; S507-N560 PolarHBondContact OG-O 3.22Å; S507-N560 PolarHBondContact OG-OXT 2.69Å
508	N	94.1	Very high	95.5	Very high	7 Å²	7	35 Å²	35	4%	0.037	19%	0.189	C	C	.	.	S	Bend	trans	-122	155.7	-178.4	-65.6	-99.6	0	0	0	110.7	N502 I504 P505 G506 N510 N511 K512 R514 Y516	N502-N508 PolarHBondContact O-ND2 2.98Å; I504-N508 PolarHBondContact O-ND2 2.92Å; P505-N508 PolarHBondContact O-N 3.26Å; G506-N508 VanDerWaalsContact C-N 3.3Å; N508-N510 PolarHBondContact O-N 3.33Å; N508-N511 PolarHBondContact O-N 2.89Å; N508-K512 WeakPolarHBondContact CB-O 3.34Å; N508-R514 PolarHBondContact OD1-N 2.85Å; N508-R514 PolarHBondContact OD1-O 3.42Å; N508-Y516 WeakPolarHBondContact OD1-CE2 3.42Å
509	E	91	Very high	95.5	Very high	94 Å²	94	37.4 Å²	37.4	44%	0.439	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-58.5	136.9	176.8	-165.2	-146.3	172	0	0	111	N511 R514 Y516	E509-N511 PolarHBondContact O-N 3.25Å; E509-R514 PolarHBondContact O-NH1 2.8Å; E509-R514 IonicContact OE2-CZ 3.19Å; E509-R514 IonicContact OE2-NH1 2.99Å; E509-R514 PolarHBondContact OE2-NH1 3.38Å; E509-Y516 VanDerWaalsContact CB-OH 3.29Å; E509-Y516 WeakPolarHBondContact CB-OH 3.36Å; E509-Y516 PolarHBondContact N-OH 3.13Å
510	N	92.5	Very high	95.5	Very high	98 Å²	98	35.6 Å²	35.6	52%	0.524	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	61.9	21.1	-177.5	-56.4	-64.1	0	0	0	115.3	N508 K512 R514	N508-N510 PolarHBondContact O-N 3.33Å; N510-K512 VanDerWaalsContact C-N 3.28Å; N510-K512 PolarHBondContact O-N 3.04Å; N510-R514 PolarHBondContact ND2-NH1 3.19Å; N510-R514 PolarHBondContact ND2-NH2 3.44Å
511	N	93.9	Very high	95.3	Very high	118 Å²	118	38.7 Å²	38.7	63%	0.631	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	56.6	39.5	-178	-65.7	-52.6	0	0	0	113	P505 G506 N508 E509	P505-N511 WeakPolarHBondContact CB-O 3.5Å; P505-N511 CarbonylContact O-C 3.49Å; P505-N511 WeakPolarHBondContact O-CA 3.48Å; G506-N511 WeakPolarHBondContact CA-OD1 3.38Å; N508-N511 PolarHBondContact O-N 2.89Å; E509-N511 PolarHBondContact O-N 3.25Å
512	K	94.5	Very high	95.1	Very high	102 Å²	102	39.5 Å²	39.5	44%	0.443	22%	0.216	S	C	.	.	S	Bend	trans	-136	127.3	-177.9	-70.3	175.6	-178.7	-178.8	0	109.9	V126 P505 N508 N510 R514	V126-K512 HydrophobicContact CG1-CD 3.87Å; V126-K512 HydrophobicContact CG2-CB 3.95Å; V126-K512 HydrophobicContact CG2-CD 4.4Å; P505-K512 PolarHBondContact O-N 2.63Å; N508-K512 WeakPolarHBondContact CB-O 3.34Å; N510-K512 VanDerWaalsContact C-N 3.28Å; N510-K512 PolarHBondContact O-N 3.04Å; K512-R514 PolarHBondContact O-N 3.02Å
513	V	95.9	Very high	94.6	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.232	C	C	.	.			trans	-58.2	121.6	175.7	175.5	0	0	0	0	109.8	S124 V126 A130 V132 Y501 G503 P505	S124-V513 PolarHBondContact OG-O 2.99Å; V126-V513 WeakPolarHBondContact CG2-O 3.45Å; A130-V513 HydrophobicContact CB-CG1 3.76Å; V132-V513 HydrophobicContact CG1-CG2 4.39Å; V132-V513 HydrophobicContact CG2-CB 4.49Å; V132-V513 HydrophobicContact CG2-CG2 4.09Å; Y501-V513 HydrophobicContact CD2-CG1 4.12Å; Y501-V513 HydrophobicContact CE2-CG1 3.75Å; G503-V513 WeakPolarHBondContact O-CG2 3.39Å; P505-V513 HydrophobicContact CG-CG2 4.08Å
514	R	94.4	Very high	93.7	Very high	60 Å²	60	51.9 Å²	51.9	23%	0.226	28%	0.275	C	S	.	.			trans	-134.8	161.1	-178.5	-75.7	176.9	176.7	158	-15.6	110.6	V126 N508 E509 N510 K512 Y516	V126-R514 HydrophobicContact CG2-CG 4.36Å; N508-R514 PolarHBondContact OD1-N 2.85Å; N508-R514 PolarHBondContact OD1-O 3.42Å; E509-R514 PolarHBondContact O-NH1 2.8Å; E509-R514 IonicContact OE2-CZ 3.19Å; E509-R514 IonicContact OE2-NH1 2.99Å; E509-R514 PolarHBondContact OE2-NH1 3.38Å; N510-R514 PolarHBondContact ND2-NH1 3.19Å; N510-R514 PolarHBondContact ND2-NH2 3.44Å; K512-R514 PolarHBondContact O-N 3.02Å; R514-Y516 HydrophobicContact CB-CE2 4.43Å
515	Y	95.8	Very high	92.4	Very high	21 Å²	21	52.3 Å²	52.3	8%	0.082	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140.1	164.3	-61.3	-74.2	0	0	0	110.2	E127 S129 A130 Q146 L150 L162 F408 H500 Y501	E127-Y515 HydrophobicContact CB-CD2 4.28Å; E127-Y515 HydrophobicContact CB-CE2 4.06Å; E127-Y515 HydrophobicContact CG-CD2 3.92Å; E127-Y515 HydrophobicContact CG-CE2 4.22Å; E127-Y515 WeakPolarHBondContact OE2-CD2 3.4Å; S129-Y515 VanDerWaalsContact C-OH 3.27Å; S129-Y515 PolarHBondContact O-OH 2.66Å; S129-Y515 VanDerWaalsContact O-OH 3.09Å; S129-Y515 WeakPolarHBondContact OG-CE2 3.38Å; S129-Y515 PolarHBondContact OG-OH 3.35Å; S129-Y515 VanDerWaalsContact OG-OH 3.09Å; A130-Y515 HydrophobicContact CB-CE2 3.96Å; A130-Y515 PolarHBondContact N-OH 2.97Å; Q146-Y515 PolarHBondContact NE2-OH 2.9Å; L150-Y515 HydrophobicContact CD1-CE1 4.46Å; L150-Y515 HydrophobicContact CD2-CE1 4.05Å; L162-Y515 HydrophobicContact CB-CD2 4.2Å; L162-Y515 HydrophobicContact CB-CE2 3.99Å; L162-Y515 HydrophobicContact CD1-CD1 4.29Å; L162-Y515 HydrophobicContact CD1-CD2 3.7Å; L162-Y515 HydrophobicContact CD1-CE1 4.33Å; L162-Y515 HydrophobicContact CD1-CE2 3.76Å; L162-Y515 HydrophobicContact CD1-CG 3.97Å; L162-Y515 HydrophobicContact CG-CE2 4.4Å; F408-Y515 AromaticContact CE1-CD1 3.86Å; F408-Y515 HydrophobicContact CE1-CD1 3.86Å; F408-Y515 HydrophobicContact CE1-CE1 4.02Å; F408-Y515 HydrophobicContact CZ-CD1 4.03Å; F408-Y515 HydrophobicContact CZ-CE1 4.2Å; H500-Y515 VanDerWaalsContact O-CA 3.31Å; H500-Y515 WeakPolarHBondContact O-CA 3.46Å; Y501-Y515 AromaticContact CD2-CE1 4Å; Y501-Y515 HydrophobicContact CD2-CE1 4Å; Y501-Y515 HydrophobicContact CG-CE1 4.28Å
516	Y	95.7	Very high	91	Very high	20 Å²	20	57.7 Å²	57.7	8%	0.078	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.8	172.6	-68.1	-82.9	0	0	0	109.7	M499 H500 N508 E509 R514 W551 H555 P557	M499-Y516 CarbonylContact C-O 3.55Å; M499-Y516 VanDerWaalsContact CA-O 3.27Å; M499-Y516 WeakPolarHBondContact CA-O 3.39Å; H500-Y516 PolarHBondContact N-O 3.22Å; H500-Y516 PolarHBondContact O-N 2.92Å; N508-Y516 WeakPolarHBondContact OD1-CE2 3.42Å; E509-Y516 VanDerWaalsContact CB-OH 3.29Å; E509-Y516 WeakPolarHBondContact CB-OH 3.36Å; E509-Y516 PolarHBondContact N-OH 3.13Å; R514-Y516 HydrophobicContact CB-CE2 4.43Å; Y516-W551 WeakPolarHBondContact O-CZ3 3.45Å; Y516-H555 HydrophobicContact CD1-CB 4.29Å; Y516-H555 AromaticContact CD1-ND1 3.77Å; Y516-H555 HydrophobicContact CE1-CB 3.86Å; Y516-H555 AromaticContact CE1-CE1 3.82Å; Y516-H555 AromaticContact CE1-CG 3.52Å; Y516-H555 AromaticContact CE1-ND1 3.17Å; Y516-H555 WeakPolarHBondContact CE1-ND1 3.34Å; Y516-H555 AromaticContact CZ-CE1 3.58Å; Y516-H555 AromaticContact CZ-ND1 3.43Å; Y516-H555 PolarHBondContact OH-CE1 2.83Å; Y516-P557 HydrophobicContact CD2-CB 4.03Å; Y516-P557 HydrophobicContact CG-CB 4.2Å
517	C	96.2	Very high	89.6	Confident	27 Å²	27	62.3 Å²	62.3	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	141.8	173.5	-169.7	0	0	0	0	110	L498 M499 H552	L498-C517 CarbonylContact O-C 3.37Å; L498-C517 WeakPolarHBondContact O-CA 3.23Å; M499-C517 HydrophobicContact CE-CB 4.13Å; M499-C517 HydrophobicContact SD-CB 3.38Å; M499-C517 WeakPolarHBondContact SD-CB 3.45Å; M499-C517 PolarHBondContact SD-SG 3.16Å; C517-H552 WeakPolarHBondContact O-CB 3.13Å; C517-H552 PolarHBondContact O-N 3.11Å; C517-H552 PolarHBondContact SG-CE1 2.59Å
518	G	96.8	Very high	88.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.9	171.9	0	0	0	0	0	111.6	E497 L498 N550	E497-G518 WeakPolarHBondContact CA-O 3.25Å; L498-G518 PolarHBondContact N-O 2.54Å; L498-G518 PolarHBondContact O-N 3.27Å; G518-N550 CarbonylContact C-O 3.56Å; G518-N550 VanDerWaalsContact CA-O 3.29Å; G518-N550 WeakPolarHBondContact CA-O 3.32Å
519	T	97.3	Very high	87.2	Confident	50 Å²	50	71.2 Å²	71.2	31%	0.307	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.2	172.8	-57.5	0	0	0	0	108.8	I549 N550 H552	T519-I549 WeakPolarHBondContact O-CA 3.41Å; T519-N550 PolarHBondContact N-O 3.19Å; T519-N550 PolarHBondContact O-N 3.11Å; T519-H552 PolarHBondContact OG1-NE2 3.19Å
520	A	96.6	Very high	86.4	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	145.8	176.6	0	0	0	0	0	111.3	T495 F496 L498 I547 E548	T495-A520 WeakPolarHBondContact CA-O 3.41Å; F496-A520 HydrophobicContact CD1-CB 4.49Å; F496-A520 HydrophobicContact CD2-CB 3.84Å; F496-A520 HydrophobicContact CE1-CB 4.26Å; F496-A520 HydrophobicContact CE2-CB 3.56Å; F496-A520 HydrophobicContact CG-CB 4.31Å; F496-A520 HydrophobicContact CZ-CB 3.79Å; F496-A520 PolarHBondContact N-O 2.91Å; F496-A520 VanDerWaalsContact N-O 3.11Å; F496-A520 PolarHBondContact O-N 3.34Å; L498-A520 HydrophobicContact CD1-CB 4.09Å; L498-A520 HydrophobicContact CG-CB 4.35Å; A520-I547 HydrophobicContact CB-CD1 3.86Å; A520-I547 HydrophobicContact CB-CG1 4.11Å; A520-E548 CarbonylContact C-O 3.51Å; A520-E548 VanDerWaalsContact CA-O 3.29Å; A520-E548 WeakPolarHBondContact CA-O 3.37Å
521	I	95	Very high	85.6	Confident	65 Å²	65	66.8 Å²	66.8	33%	0.333	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.3	175.4	-53	179.2	0	0	0	107.7	D494 T495 I547 E548	D494-I521 CarbonylContact O-C 3.53Å; D494-I521 VanDerWaalsContact O-CA 3.32Å; D494-I521 WeakPolarHBondContact O-CA 3.33Å; T495-I521 HydrophobicContact CG2-CG1 4.07Å; T495-I521 HydrophobicContact CG2-CG2 4.27Å; I521-I547 WeakPolarHBondContact O-CA 3.29Å; I521-E548 PolarHBondContact N-O 3.33Å; I521-E548 PolarHBondContact O-N 3.14Å
522	L	92.5	Very high	84.7	Confident	20 Å²	20	67.2 Å²	67.2	11%	0.105	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.4	169.7	-58.3	-174.9	0	0	0	108.8	T492 D494 F496 W544 I547	T492-L522 HydrophobicContact CG2-CD1 3.63Å; D494-L522 PolarHBondContact O-N 3.32Å; F496-L522 HydrophobicContact CE1-CD1 4.15Å; F496-L522 HydrophobicContact CE1-CD2 4.02Å; F496-L522 HydrophobicContact CE1-CG 3.87Å; F496-L522 HydrophobicContact CZ-CD2 4.27Å; L522-W544 HydrophobicContact CD2-CB 3.88Å; L522-W544 HydrophobicContact CD2-CG 4.1Å; L522-I547 HydrophobicContact CD2-CB 3.94Å; L522-I547 HydrophobicContact CD2-CG1 4.13Å
523	L	88.6	Confident	84.1	Confident	68 Å²	68	67.2 Å²	67.2	36%	0.356	37%	0.371	S	S	.	.			trans	-71.2	144.3	178.6	-58	179.4	0	0	0	111.3	G525 N546 E548	L523-G525 PolarHBondContact O-N 3.25Å; L523-N546 HydrophobicContact CB-CB 4.25Å; L523-N546 PolarHBondContact N-O 3.35Å; L523-E548 HydrophobicContact CD1-CG 3.81Å; L523-E548 HydrophobicContact CD2-CG 4.43Å; L523-E548 HydrophobicContact CG-CG 4.1Å
524	E	78	Confident	83.8	Confident	194 Å²	194	68.3 Å²	68.3	91%	0.907	38%	0.377	S	S	*	.	S	Bend	trans	-70.6	114.5	169.5	-66.8	-175.9	175.8	0	0	109.7
525	G	69.7	Low	83.7	Confident	39 Å²	39	68.2 Å²	68.2	40%	0.402	38%	0.384	S	S	.	.	S	Bend	trans	156.3	165.6	178.3	0	0	0	0	0	111.7	L523 N546	L523-G525 PolarHBondContact O-N 3.25Å; G525-N546 PolarHBondContact O-ND2 3.21Å
526	D	64.7	Low	83.6	Confident	148 Å²	148	67.3 Å²	67.3	79%	0.791	38%	0.381	S	S	*	.	S	Bend	trans	-108.7	8.7	174.2	-63.8	-40.2	0	0	0	112.1	K528	D526-K528 PolarHBondContact O-N 2.95Å
527	L	65.6	Low	83.5	Confident	150 Å²	150	67 Å²	67	79%	0.785	38%	0.381	S	S	*	.			trans	-82.5	110.9	-177.2	-150.5	83.3	0	0	0	109.8	S529 N546	L527-S529 PolarHBondContact O-N 3.07Å; L527-N546 PolarHBondContact O-OD1 2.87Å
528	K	69.1	Low	83.3	Confident	161 Å²	161	66 Å²	66	70%	0.7	37%	0.374	S	S	*	.			trans	-58.8	111.3	170.2	-62.8	-169.1	175.7	-176.3	0	109.1	D526 P545	D526-K528 PolarHBondContact O-N 2.95Å; K528-P545 HydrophobicContact CG-CB 4.19Å
529	S	68.6	Low	83.3	Confident	59 Å²	59	66 Å²	66	41%	0.413	37%	0.374	S	S	.	.			trans	-87.4	139.3	169.6	-175.9	0	0	0	0	108.2	L527 Q541 P545	L527-S529 PolarHBondContact O-N 3.07Å; S529-Q541 PolarHBondContact O-NE2 2.93Å; S529-Q541 PolarHBondContact O-OE1 3.1Å; S529-Q541 VanDerWaalsContact O-OE1 3.05Å; S529-P545 PolarHBondContact N-O 3.35Å
530	V	72.6	Confident	83.2	Confident	60 Å²	60	63.7 Å²	63.7	36%	0.364	36%	0.36	S	S	.	.			trans	-125	116.1	171.7	-179.6	0	0	0	0	107.2	E378 T532 T538	E378-V530 HydrophobicContact CG-CG1 4.26Å; E378-V530 WeakPolarHBondContact OE1-CG2 3.47Å; V530-T532 HydrophobicContact CG1-CG2 3.85Å; V530-T532 PolarHBondContact O-N 3.42Å; V530-T538 HydrophobicContact CG1-CG2 4.25Å
531	C	77.3	Confident	83	Confident	38 Å²	38	64.3 Å²	64.3	26%	0.257	36%	0.363	S	S	.	.			trans	-96.5	76.4	177.6	-166.9	0	0	0	0	110.5	S533 N534 V537 T538 Q541	C531-S533 PolarHBondContact O-N 3.1Å; C531-N534 HydrophobicContact CB-CB 4.35Å; C531-N534 CarbonylContact O-C 3.45Å; C531-N534 PolarHBondContact O-N 2.93Å; C531-N534 VanDerWaalsContact O-O 3.11Å; C531-V537 HydrophobicContact CB-CB 4.19Å; C531-V537 HydrophobicContact CB-CG1 3.79Å; C531-T538 VanDerWaalsContact C-OG1 3.3Å; C531-T538 PolarHBondContact O-OG1 3.24Å; C531-Q541 VanDerWaalsContact N-OE1 3.11Å
532	T	73.6	Confident	82.9	Confident	128 Å²	128	61.9 Å²	61.9	79%	0.785	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.5	-175.3	55.9	0	0	0	0	114.5	V530 N534	V530-T532 HydrophobicContact CG1-CG2 3.85Å; V530-T532 PolarHBondContact O-N 3.42Å; T532-N534 VanDerWaalsContact C-N 3.32Å
533	S	82.8	Confident	82.9	Confident	102 Å²	102	62.2 Å²	62.2	71%	0.713	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.7	174.9	56.2	0	0	0	0	114.2	C531	C531-S533 PolarHBondContact O-N 3.1Å
534	N	89.1	Confident	83.1	Confident	24 Å²	24	59.6 Å²	59.6	13%	0.128	34%	0.337	C	S	.	.			trans	-130.6	93.4	-177.7	-171.2	-24.2	0	0	0	110.5	C531 T532 M536 V537 T538 M556	C531-N534 HydrophobicContact CB-CB 4.35Å; C531-N534 CarbonylContact O-C 3.45Å; C531-N534 PolarHBondContact O-N 2.93Å; C531-N534 VanDerWaalsContact O-O 3.11Å; T532-N534 VanDerWaalsContact C-N 3.32Å; N534-M536 PolarHBondContact O-N 3Å; N534-M536 WeakPolarHBondContact OD1-CB 3.47Å; N534-M536 PolarHBondContact OD1-N 3.44Å; N534-V537 HydrophobicContact CB-CB 4.07Å; N534-V537 HydrophobicContact CB-CG2 4.22Å; N534-V537 VanDerWaalsContact CG-CG2 3.49Å; N534-V537 WeakPolarHBondContact ND2-CG2 3.14Å; N534-V537 PolarHBondContact O-N 3Å; N534-V537 PolarHBondContact OD1-N 2.88Å; N534-V537 VanDerWaalsContact OD1-N 3.14Å; N534-T538 PolarHBondContact O-N 2.89Å; N534-T538 PolarHBondContact O-OG1 3.11Å; N534-M556 HydrophobicContact CB-SD 4.34Å; N534-M556 PolarHBondContact ND2-SD 2.82Å
535	P	92.1	Very high	83.7	Confident	59 Å²	59	52.7 Å²	52.7	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-33.4	179.5	-26.8	35.4	0	0	0	113.6	L375 T538 C539 L559	L375-P535 HydrophobicContact CD2-CB 4.13Å; P535-T538 PolarHBondContact O-N 3.35Å; P535-C539 WeakPolarHBondContact O-CB 3.45Å; P535-C539 PolarHBondContact O-N 3.17Å; P535-L559 HydrophobicContact CB-CD1 4.09Å; P535-L559 VanDerWaalsContact O-CD1 3.27Å; P535-L559 WeakPolarHBondContact O-CD1 3.37Å
536	M	93.6	Very high	84.6	Confident	2 Å²	2	52 Å²	52	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-53.5	177.5	-176.5	62.6	72.7	0	0	110.7	M398 H500 N534 T538 C539 L540 W551 P557 L559	M398-M536 HydrophobicContact CE-SD 3.69Å; M398-M536 HydrophobicContact SD-SD 3.9Å; H500-M536 VanDerWaalsContact CD2-CE 3.48Å; H500-M536 WeakPolarHBondContact CD2-CE 3.43Å; H500-M536 VanDerWaalsContact NE2-CE 3.26Å; H500-M536 WeakPolarHBondContact NE2-CE 3.43Å; N534-M536 PolarHBondContact O-N 3Å; N534-M536 WeakPolarHBondContact OD1-CB 3.47Å; N534-M536 PolarHBondContact OD1-N 3.44Å; M536-T538 VanDerWaalsContact C-N 3.31Å; M536-T538 PolarHBondContact O-N 2.93Å; M536-C539 PolarHBondContact O-N 3.3Å; M536-L540 HydrophobicContact CG-CD1 4.41Å; M536-L540 WeakPolarHBondContact O-CG 3.43Å; M536-L540 PolarHBondContact O-N 2.92Å; M536-W551 HydrophobicContact SD-CZ2 4.26Å; M536-W551 HydrophobicContact CG-CZ2 3.67Å; M536-P557 HydrophobicContact CE-CG 3.8Å; M536-P557 HydrophobicContact CE-CB 3.92Å; M536-P557 HydrophobicContact CG-CG 4.37Å; M536-L559 HydrophobicContact CB-CG 4.49Å; M536-L559 HydrophobicContact CE-CD2 3.6Å; M536-L559 HydrophobicContact CE-CG 3.78Å; M536-L559 HydrophobicContact SD-CD2 3.71Å; M536-L559 HydrophobicContact SD-CG 4.05Å
537	V	93.5	Very high	86	Confident	13 Å²	13	45 Å²	45	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-42.3	177.7	173.2	0	0	0	0	110.9	C531 N534 C539 L540 Q541 I549	C531-V537 HydrophobicContact CB-CB 4.19Å; C531-V537 HydrophobicContact CB-CG1 3.79Å; N534-V537 HydrophobicContact CB-CB 4.07Å; N534-V537 HydrophobicContact CB-CG2 4.22Å; N534-V537 VanDerWaalsContact CG-CG2 3.49Å; N534-V537 WeakPolarHBondContact ND2-CG2 3.14Å; N534-V537 PolarHBondContact O-N 3Å; N534-V537 PolarHBondContact OD1-N 2.88Å; N534-V537 VanDerWaalsContact OD1-N 3.14Å; V537-C539 VanDerWaalsContact C-N 3.33Å; V537-C539 PolarHBondContact O-N 2.96Å; V537-L540 PolarHBondContact O-N 2.84Å; V537-L540 VanDerWaalsContact O-N 3.16Å; V537-L540 WeakPolarHBondContact O-CB 3.47Å; V537-Q541 HydrophobicContact CG1-CG 4.2Å; V537-Q541 WeakPolarHBondContact O-CB 3.21Å; V537-Q541 VanDerWaalsContact O-CG 3.25Å; V537-Q541 WeakPolarHBondContact O-CG 3.39Å; V537-Q541 PolarHBondContact O-N 3.35Å; V537-I549 HydrophobicContact CG2-CG2 3.68Å
538	T	93.3	Very high	87.3	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-44.5	177.1	-58.5	0	0	0	0	111.9	L375 E378 V530 C531 N534 P535 M536 Q541 T542	L375-T538 HydrophobicContact CD1-CG2 3.52Å; E378-T538 HydrophobicContact CB-CG2 3.9Å; E378-T538 HydrophobicContact CG-CG2 3.6Å; V530-T538 HydrophobicContact CG1-CG2 4.25Å; C531-T538 VanDerWaalsContact C-OG1 3.3Å; C531-T538 PolarHBondContact O-OG1 3.24Å; N534-T538 PolarHBondContact O-N 2.89Å; N534-T538 PolarHBondContact O-OG1 3.11Å; P535-T538 PolarHBondContact O-N 3.35Å; M536-T538 VanDerWaalsContact C-N 3.31Å; M536-T538 PolarHBondContact O-N 2.93Å; T538-Q541 PolarHBondContact O-N 2.99Å; T538-Q541 WeakPolarHBondContact O-CB 3.05Å; T538-T542 WeakPolarHBondContact O-CG2 3Å; T538-T542 PolarHBondContact O-N 2.84Å
539	C	95.1	Very high	88.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-40	176.5	-171.1	0	0	0	0	111.8	T374 M398 P535 M536 V537 Q541 T542 L559	T374-C539 VanDerWaalsContact C-SG 3.58Å; M398-C539 HydrophobicContact CE-CB 3.81Å; M398-C539 VanDerWaalsContact CE-SG 3.56Å; P535-C539 WeakPolarHBondContact O-CB 3.45Å; P535-C539 PolarHBondContact O-N 3.17Å; M536-C539 PolarHBondContact O-N 3.3Å; V537-C539 VanDerWaalsContact C-N 3.33Å; V537-C539 PolarHBondContact O-N 2.96Å; C539-Q541 VanDerWaalsContact C-N 3.3Å; C539-Q541 PolarHBondContact O-N 3.47Å; C539-T542 WeakPolarHBondContact O-CG2 3.29Å; C539-T542 PolarHBondContact O-N 2.67Å; C539-T542 PolarHBondContact O-OG1 3.41Å; C539-L559 HydrophobicContact CB-CD1 3.76Å
540	L	95.5	Very high	89.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-37.1	174.5	-66.6	171.9	0	0	0	112.2	M398 L407 L498 M536 V537 T542 K543 W544 I547 I549	M398-L540 HydrophobicContact CE-CD2 3.95Å; M398-L540 HydrophobicContact CE-CG 4.2Å; L407-L540 HydrophobicContact CD1-CD2 4.17Å; L407-L540 HydrophobicContact CD2-CD2 3.33Å; L407-L540 HydrophobicContact CG-CD2 4.38Å; L498-L540 HydrophobicContact CD1-CD1 4.33Å; L498-L540 HydrophobicContact CD1-CD2 4.07Å; M536-L540 HydrophobicContact CG-CD1 4.41Å; M536-L540 WeakPolarHBondContact O-CG 3.43Å; M536-L540 PolarHBondContact O-N 2.92Å; V537-L540 PolarHBondContact O-N 2.84Å; V537-L540 VanDerWaalsContact O-N 3.16Å; V537-L540 WeakPolarHBondContact O-CB 3.47Å; L540-T542 PolarHBondContact O-N 3.35Å; L540-K543 PolarHBondContact O-N 2.81Å; L540-K543 VanDerWaalsContact O-N 3.08Å; L540-W544 HydrophobicContact CD2-CE3 4.4Å; L540-W544 HydrophobicContact CD2-CZ3 4.06Å; L540-W544 PolarHBondContact O-N 2.9Å; L540-I547 HydrophobicContact CB-CD1 4.33Å; L540-I547 HydrophobicContact CB-CG2 3.77Å; L540-I547 HydrophobicContact CD1-CD1 4.42Å; L540-I549 HydrophobicContact CD1-CD1 4.23Å; L540-I549 HydrophobicContact CD1-CG2 4.1Å
541	Q	93.7	Very high	90.8	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.065	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-19.8	178.4	-75.1	168.4	-28.9	0	0	113	S529 C531 V537 T538 C539 K543 W544 P545 I547	S529-Q541 PolarHBondContact O-NE2 2.93Å; S529-Q541 PolarHBondContact O-OE1 3.1Å; S529-Q541 VanDerWaalsContact O-OE1 3.05Å; C531-Q541 VanDerWaalsContact N-OE1 3.11Å; V537-Q541 HydrophobicContact CG1-CG 4.2Å; V537-Q541 WeakPolarHBondContact O-CB 3.21Å; V537-Q541 VanDerWaalsContact O-CG 3.25Å; V537-Q541 WeakPolarHBondContact O-CG 3.39Å; V537-Q541 PolarHBondContact O-N 3.35Å; T538-Q541 PolarHBondContact O-N 2.99Å; T538-Q541 WeakPolarHBondContact O-CB 3.05Å; C539-Q541 VanDerWaalsContact C-N 3.3Å; C539-Q541 PolarHBondContact O-N 3.47Å; Q541-K543 VanDerWaalsContact C-N 3.28Å; Q541-K543 PolarHBondContact O-N 3.18Å; Q541-W544 WeakPolarHBondContact CA-O 3.17Å; Q541-W544 CarbonylContact O-C 3.6Å; Q541-P545 VanDerWaalsContact O-CA 3.26Å; Q541-P545 WeakPolarHBondContact O-CA 3.49Å; Q541-I547 HydrophobicContact CG-CG2 3.8Å
542	T	92.2	Very high	91.5	Very high	14 Å²	14	38 Å²	38	9%	0.086	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.2	174.3	89.2	0	0	0	0	112.7	E377 E378 K389 T538 C539 L540	E377-T542 HydrophobicContact CB-CG2 4.17Å; E377-T542 HydrophobicContact CG-CG2 4.43Å; E377-T542 WeakPolarHBondContact OE2-CB 3.24Å; E377-T542 PolarHBondContact OE2-OG1 3.42Å; E378-T542 HydrophobicContact CB-CG2 4.18Å; K389-T542 WeakPolarHBondContact CE-O 3.47Å; K389-T542 PolarHBondContact NZ-O 3.15Å; T538-T542 WeakPolarHBondContact O-CG2 3Å; T538-T542 PolarHBondContact O-N 2.84Å; C539-T542 WeakPolarHBondContact O-CG2 3.29Å; C539-T542 PolarHBondContact O-N 2.67Å; C539-T542 PolarHBondContact O-OG1 3.41Å; L540-T542 PolarHBondContact O-N 3.35Å
543	K	92.8	Very high	92.2	Very high	26 Å²	26	40 Å²	40	11%	0.113	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-46	171.1	177.2	174.1	166.7	62	0	112.5	I373 K389 N390 W396 L540 Q541 P545	I373-K543 HydrophobicContact CG2-CB 4.18Å; K389-K543 WeakPolarHBondContact O-CD 3.37Å; K389-K543 VanDerWaalsContact O-CE 3.29Å; K389-K543 WeakPolarHBondContact O-CE 3.21Å; K389-K543 PolarHBondContact O-NZ 3.48Å; N390-K543 PolarHBondContact OD1-NZ 2.83Å; W396-K543 HydrophobicContact CZ2-CD 4.11Å; W396-K543 VanDerWaalsContact CZ2-CE 3.43Å; L540-K543 PolarHBondContact O-N 2.81Å; L540-K543 VanDerWaalsContact O-N 3.08Å; Q541-K543 VanDerWaalsContact C-N 3.28Å; Q541-K543 PolarHBondContact O-N 3.18Å; K543-P545 WeakPolarHBondContact O-CD 3.48Å
544	W	92.5	Very high	92	Very high	13 Å²	13	38.9 Å²	38.9	5%	0.049	22%	0.223	C	C	.	.	S	Bend	trans	-119.9	87.8	-177.8	-63.3	-67.8	0	0	0	109.8	W396 L407 L414 F496 L498 L522 L540 Q541 N546 I547	W396-W544 HydrophobicContact CH2-CH2 4.12Å; W396-W544 HydrophobicContact CH2-CZ2 4.3Å; W396-W544 HydrophobicContact CZ3-CH2 4.24Å; L407-W544 HydrophobicContact CD2-CZ3 4.13Å; L414-W544 HydrophobicContact CB-CZ2 4.22Å; L414-W544 HydrophobicContact CD1-CH2 4.31Å; L414-W544 HydrophobicContact CD1-CZ2 4.16Å; L414-W544 HydrophobicContact CD2-CZ2 4.37Å; L414-W544 HydrophobicContact CG-CZ2 4.47Å; F496-W544 HydrophobicContact CE2-CH2 4.18Å; F496-W544 HydrophobicContact CE2-CZ2 4.21Å; F496-W544 HydrophobicContact CE2-CZ3 4.47Å; F496-W544 HydrophobicContact CZ-CD2 4.21Å; F496-W544 HydrophobicContact CZ-CE3 4.49Å; F496-W544 HydrophobicContact CZ-CH2 4.42Å; F496-W544 HydrophobicContact CZ-CZ2 4.12Å; L498-W544 HydrophobicContact CD1-CZ3 4.06Å; L498-W544 HydrophobicContact CD2-CH2 4.13Å; L498-W544 HydrophobicContact CD2-CZ3 4.39Å; L522-W544 HydrophobicContact CD2-CB 3.88Å; L522-W544 HydrophobicContact CD2-CG 4.1Å; L540-W544 HydrophobicContact CD2-CE3 4.4Å; L540-W544 HydrophobicContact CD2-CZ3 4.06Å; L540-W544 PolarHBondContact O-N 2.9Å; Q541-W544 WeakPolarHBondContact CA-O 3.17Å; Q541-W544 CarbonylContact O-C 3.6Å; W544-N546 PolarHBondContact O-N 2.88Å; W544-I547 HydrophobicContact CD2-CD1 4.15Å; W544-I547 PolarHBondContact O-N 3.07Å; W544-I547 WeakPolarHBondContact O-CG2 3.48Å; W544-I547 WeakPolarHBondContact O-CB 3.45Å; W544-I547 HydrophobicContact CZ3-CD1 4.27Å; W544-I547 HydrophobicContact CG-CD1 4.47Å; W544-I547 HydrophobicContact CE3-CD1 3.61Å; W544-I547 HydrophobicContact CB-CG2 4.03Å; W544-I547 HydrophobicContact CB-CD1 4.27Å; W544-I547 HydrophobicContact CB-CB 3.74Å
545	P	89.8	Confident	91.7	Very high	50 Å²	50	40.5 Å²	40.5	33%	0.325	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.8	-168.7	-29.1	36	0	0	0	116.7	K528 S529 Q541 K543	K528-P545 HydrophobicContact CG-CB 4.19Å; S529-P545 PolarHBondContact N-O 3.35Å; Q541-P545 VanDerWaalsContact O-CA 3.26Å; Q541-P545 WeakPolarHBondContact O-CA 3.49Å; K543-P545 WeakPolarHBondContact O-CD 3.48Å
546	N	89.8	Confident	91.6	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.123	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	21.9	-177	-45	-38.7	0	0	0	112.3	L523 G525 L527 W544	L523-N546 HydrophobicContact CB-CB 4.25Å; L523-N546 PolarHBondContact N-O 3.35Å; G525-N546 PolarHBondContact O-ND2 3.21Å; L527-N546 PolarHBondContact O-OD1 2.87Å; W544-N546 PolarHBondContact O-N 2.88Å
547	I	93.8	Very high	91.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.3	178.4	-167	168.9	0	0	0	111	F496 L498 A520 I521 L522 L540 Q541 W544	F496-I547 HydrophobicContact CE2-CD1 4.39Å; F496-I547 HydrophobicContact CZ-CD1 3.99Å; L498-I547 HydrophobicContact CD1-CD1 4.05Å; A520-I547 HydrophobicContact CB-CD1 3.86Å; A520-I547 HydrophobicContact CB-CG1 4.11Å; I521-I547 WeakPolarHBondContact O-CA 3.29Å; L522-I547 HydrophobicContact CD2-CB 3.94Å; L522-I547 HydrophobicContact CD2-CG1 4.13Å; L540-I547 HydrophobicContact CB-CD1 4.33Å; L540-I547 HydrophobicContact CB-CG2 3.77Å; L540-I547 HydrophobicContact CD1-CD1 4.42Å; Q541-I547 HydrophobicContact CG-CG2 3.8Å; W544-I547 HydrophobicContact CD2-CD1 4.15Å; W544-I547 PolarHBondContact O-N 3.07Å; W544-I547 WeakPolarHBondContact O-CG2 3.48Å; W544-I547 WeakPolarHBondContact O-CB 3.45Å; W544-I547 HydrophobicContact CZ3-CD1 4.27Å; W544-I547 HydrophobicContact CG-CD1 4.47Å; W544-I547 HydrophobicContact CE3-CD1 3.61Å; W544-I547 HydrophobicContact CB-CG2 4.03Å; W544-I547 HydrophobicContact CB-CD1 4.27Å; W544-I547 HydrophobicContact CB-CB 3.74Å
548	E	92.7	Very high	91.5	Very high	101 Å²	101	44 Å²	44	47%	0.472	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	151	156.9	-68.5	-166.8	165.6	0	0	109	A520 I521 L523	A520-E548 CarbonylContact C-O 3.51Å; A520-E548 VanDerWaalsContact CA-O 3.29Å; A520-E548 WeakPolarHBondContact CA-O 3.37Å; I521-E548 PolarHBondContact N-O 3.33Å; I521-E548 PolarHBondContact O-N 3.14Å; L523-E548 HydrophobicContact CD1-CG 3.81Å; L523-E548 HydrophobicContact CD2-CG 4.43Å; L523-E548 HydrophobicContact CG-CG 4.1Å
549	I	94.1	Very high	91.4	Very high	17 Å²	17	44 Å²	44	9%	0.087	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132.7	179.9	-173.5	165.9	0	0	0	110.6	L498 T519 V537 L540 W551	L498-I549 HydrophobicContact CB-CD1 4.08Å; L498-I549 HydrophobicContact CD1-CD1 4Å; T519-I549 WeakPolarHBondContact O-CA 3.41Å; V537-I549 HydrophobicContact CG2-CG2 3.68Å; L540-I549 HydrophobicContact CD1-CD1 4.23Å; L540-I549 HydrophobicContact CD1-CG2 4.1Å; I549-W551 HydrophobicContact CD1-CH2 3.76Å; I549-W551 HydrophobicContact CG1-CZ2 4.4Å; I549-W551 HydrophobicContact CG1-CD2 4.44Å; I549-W551 HydrophobicContact CD1-CZ3 4.23Å; I549-W551 HydrophobicContact CD1-CZ2 3.49Å; I549-W551 HydrophobicContact CD1-CE3 4.44Å; I549-W551 HydrophobicContact CD1-CD2 4.19Å; I549-W551 VanDerWaalsContact CD1-CZ2 3.49Å
550	N	94.2	Very high	91.1	Very high	109 Å²	109	47.3 Å²	47.3	58%	0.583	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	107.4	171	-69	-43.7	0	0	0	108.6	G518 T519	G518-N550 CarbonylContact C-O 3.56Å; G518-N550 VanDerWaalsContact CA-O 3.29Å; G518-N550 WeakPolarHBondContact CA-O 3.32Å; T519-N550 PolarHBondContact N-O 3.19Å; T519-N550 PolarHBondContact O-N 3.11Å
551	W	94.6	Very high	90.8	Very high	28 Å²	28	49.7 Å²	49.7	11%	0.106	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.6	174.7	-64.5	99.4	0	0	0	110.5	H500 Y516 M536 I549 H555 P557	H500-W551 HydrophobicContact CB-CH2 3.65Å; H500-W551 HydrophobicContact CB-CZ3 3.87Å; Y516-W551 WeakPolarHBondContact O-CZ3 3.45Å; M536-W551 HydrophobicContact SD-CZ2 4.26Å; M536-W551 HydrophobicContact CG-CZ2 3.67Å; I549-W551 HydrophobicContact CD1-CH2 3.76Å; I549-W551 HydrophobicContact CG1-CZ2 4.4Å; I549-W551 HydrophobicContact CG1-CD2 4.44Å; I549-W551 HydrophobicContact CD1-CZ3 4.23Å; I549-W551 HydrophobicContact CD1-CZ2 3.49Å; I549-W551 HydrophobicContact CD1-CE3 4.44Å; I549-W551 HydrophobicContact CD1-CD2 4.19Å; I549-W551 VanDerWaalsContact CD1-CZ2 3.49Å; W551-H555 VanDerWaalsContact CB-O 3.31Å; W551-H555 WeakPolarHBondContact CB-O 3.45Å; W551-P557 HydrophobicContact CG-CG 4.24Å; W551-P557 HydrophobicContact CZ3-CG 3.81Å; W551-P557 HydrophobicContact CZ2-CG 3.37Å; W551-P557 HydrophobicContact CH2-CG 3.64Å; W551-P557 VanDerWaalsContact CG-CD 3.43Å; W551-P557 HydrophobicContact CE3-CG 3.73Å; W551-P557 HydrophobicContact CD2-CG 3.52Å
552	H	93.3	Very high	90.7	Very high	67 Å²	67	51.6 Å²	51.6	31%	0.31	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.7	157.2	177	-60.4	177.7	0	0	0	109.8	C517 T519 G554	C517-H552 WeakPolarHBondContact O-CB 3.13Å; C517-H552 PolarHBondContact O-N 3.11Å; C517-H552 PolarHBondContact SG-CE1 2.59Å; T519-H552 PolarHBondContact OG1-NE2 3.19Å; H552-G554 PolarHBondContact O-N 2.68Å
553	D	87.2	Confident	90.6	Very high	171 Å²	171	53.7 Å²	53.7	91%	0.914	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	58.9	12.5	-179.7	-54.1	-39.4	0	0	0	116	H555	D553-H555 PolarHBondContact O-N 3.43Å
554	G	80	Confident	90.5	Very high	78 Å²	78	55.3 Å²	55.3	80%	0.804	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	69.7	9.2	175.7	0	0	0	0	0	114.7	H552	H552-G554 PolarHBondContact O-N 2.68Å
555	H	82.2	Confident	90.4	Very high	57 Å²	57	57.9 Å²	57.9	26%	0.264	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-98.4	116.5	178.4	-173.7	-75.2	0	0	0	110.7	Y516 W551 D553 P557	Y516-H555 HydrophobicContact CD1-CB 4.29Å; Y516-H555 AromaticContact CD1-ND1 3.77Å; Y516-H555 HydrophobicContact CE1-CB 3.86Å; Y516-H555 AromaticContact CE1-CE1 3.82Å; Y516-H555 AromaticContact CE1-CG 3.52Å; Y516-H555 AromaticContact CE1-ND1 3.17Å; Y516-H555 WeakPolarHBondContact CE1-ND1 3.34Å; Y516-H555 AromaticContact CZ-CE1 3.58Å; Y516-H555 AromaticContact CZ-ND1 3.43Å; Y516-H555 PolarHBondContact OH-CE1 2.83Å; W551-H555 VanDerWaalsContact CB-O 3.31Å; W551-H555 WeakPolarHBondContact CB-O 3.45Å; D553-H555 PolarHBondContact O-N 3.43Å; H555-P557 WeakPolarHBondContact O-CD 3.49Å
556	M	88.9	Confident	90.4	Very high	97 Å²	97	58.5 Å²	58.5	48%	0.478	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-80.9	118.5	173.1	-174	178.6	75.8	0	0	109.8	N534	N534-M556 HydrophobicContact CB-SD 4.34Å; N534-M556 PolarHBondContact ND2-SD 2.82Å
557	P	92.9	Very high	90.5	Very high	3 Å²	3	61 Å²	61	2%	0.019	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-66.4	148.1	178	26.2	-31.8	0	0	0	111.7	H500 Y516 M536 W551 H555	H500-P557 HydrophobicContact CB-CB 4.42Å; H500-P557 HydrophobicContact CB-CG 4.36Å; H500-P557 WeakPolarHBondContact ND1-CB 3.27Å; Y516-P557 HydrophobicContact CD2-CB 4.03Å; Y516-P557 HydrophobicContact CG-CB 4.2Å; M536-P557 HydrophobicContact CE-CG 3.8Å; M536-P557 HydrophobicContact CE-CB 3.92Å; M536-P557 HydrophobicContact CG-CG 4.37Å; W551-P557 HydrophobicContact CG-CG 4.24Å; W551-P557 HydrophobicContact CZ3-CG 3.81Å; W551-P557 HydrophobicContact CZ2-CG 3.37Å; W551-P557 HydrophobicContact CH2-CG 3.64Å; W551-P557 VanDerWaalsContact CG-CD 3.43Å; W551-P557 HydrophobicContact CE3-CG 3.73Å; W551-P557 HydrophobicContact CD2-CG 3.52Å; H555-P557 WeakPolarHBondContact O-CD 3.49Å
558	S	92.6	Very high	90.2	Very high	48 Å²	48	65.6 Å²	65.6	34%	0.336	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-93.1	138	176.5	-177.9	0	0	0	0	111.3	H500 N502 N560	H500-S558 PolarHBondContact CE1-O 3.36Å; N502-S558 PolarHBondContact ND2-O 3.31Å; N502-S558 VanDerWaalsContact ND2-O 3.13Å; S558-N560 WeakPolarHBondContact CB-O 3.46Å; S558-N560 PolarHBondContact OG-N 3.35Å; S558-N560 PolarHBondContact OG-O 3.16Å
559	L	92.2	Very high	90	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.037	36%	0.359	C	S	.	.			trans	-76	-12.7	167	-76.5	179.6	0	0	0	113.2	M398 T405 P535 M536 C539	M398-L559 HydrophobicContact CB-CD2 3.97Å; M398-L559 HydrophobicContact CE-CD2 3.87Å; M398-L559 HydrophobicContact SD-CD2 3.93Å; T405-L559 WeakPolarHBondContact OG1-CD2 3.43Å; P535-L559 HydrophobicContact CB-CD1 4.09Å; P535-L559 VanDerWaalsContact O-CD1 3.27Å; P535-L559 WeakPolarHBondContact O-CD1 3.37Å; M536-L559 HydrophobicContact CB-CG 4.49Å; M536-L559 HydrophobicContact CE-CD2 3.6Å; M536-L559 HydrophobicContact CE-CG 3.78Å; M536-L559 HydrophobicContact SD-CD2 3.71Å; M536-L559 HydrophobicContact SD-CG 4.05Å; C539-L559 HydrophobicContact CB-CD1 3.76Å
560	N	87.7	Confident	89.6	Confident	70 Å²	70	66.8 Å²	66.8	37%	0.374	38%	0.384	S	S	.	.			trans	-113	0	176.5	-73.6	-21.7	0	0	0	110.6	S400 D401 H403 N502 S507 S558	S400-N560 WeakPolarHBondContact CB-OD1 3.32Å; S400-N560 PolarHBondContact OG-OD1 3.32Å; D401-N560 PolarHBondContact OD1-ND2 3.02Å; D401-N560 PolarHBondContact OD1-OD1 2.82Å; H403-N560 PolarHBondContact CD2-OXT 3.11Å; N502-N560 VanDerWaalsContact ND2-C 3.34Å; N502-N560 PolarHBondContact ND2-O 2.7Å; N502-N560 PolarHBondContact ND2-OXT 3Å; S507-N560 WeakPolarHBondContact CB-O 3.45Å; S507-N560 PolarHBondContact OG-O 3.22Å; S507-N560 PolarHBondContact OG-OXT 2.69Å; S558-N560 WeakPolarHBondContact CB-O 3.46Å; S558-N560 PolarHBondContact OG-N 3.35Å; S558-N560 PolarHBondContact OG-O 3.16Å

Retrieved 560 of 560 residues in 426.7 ms (Link to these results)

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