A0A093H5S2_STRCA Loading...

EF-hand calcium-binding domain-containing protein 7

AlphaFold DB , UniProt , Accession A0A093H5S2, Species STRCA (Struthio camelus australis), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	29.2	Very low	242 Å²	242	125.3 Å²	125.3	100%	1.192	82%	0.824	S	S	*	*				0	143	0	-62.4	-176.3	-167	0	0	107.9
2	A	31.1	Very low	29.7	Very low	100 Å²	100	124.1 Å²	124.1	83%	0.826	82%	0.82	S	S	*	*			trans	50.6	142.1	162.2	0	0	0	0	0	118.9
3	S	30.6	Very low	30.1	Very low	113 Å²	113	124.8 Å²	124.8	79%	0.79	82%	0.819	S	S	*	*			cis	-167.2	136.6	-7.3	36.5	0	0	0	0	106
4	G	29.8	Very low	30.2	Very low	76 Å²	76	129.5 Å²	129.5	78%	0.784	82%	0.824	S	S	*	*				71.9	135.8	97.8	0	0	0	0	0	112.6
5	S	31.5	Very low	30.6	Very low	129 Å²	129	135.2 Å²	135.2	90%	0.902	83%	0.832	S	S	*	*			cis	-175.8	159.4	8.4	44	0	0	0	0	106.9
6	G	27.5	Very low	30.7	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	83%	0.833	S	S	*	*			cis	169.5	177.8	0.7	0	0	0	0	0	109.8
7	N	29.9	Very low	30.7	Very low	155 Å²	155	129.9 Å²	129.9	83%	0.829	82%	0.821	S	S	*	*			trans	43.5	135.2	156.3	-67.6	7	0	0	0	120.6
8	N	28	Very low	30.9	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	83%	0.825	S	S	*	*			cis	-160.7	158.8	38.5	-113.2	-21.8	0	0	0	113.9
9	A	27.3	Very low	31	Very low	89 Å²	89	132.2 Å²	132.2	74%	0.736	82%	0.823	S	S	*	*			trans	2	146	157.1	0	0	0	0	0	120.6
10	S	25.2	Very low	30.9	Very low	102 Å²	102	134.3 Å²	134.3	71%	0.713	82%	0.822	S	S	*	*			cis	-168.9	165	46.3	56.4	0	0	0	0	115.4
11	L	27.8	Very low	31	Very low	162 Å²	162	134.6 Å²	134.6	85%	0.848	82%	0.819	S	S	*	*			trans	66.5	90.1	156.2	-72.5	157.1	0	0	0	119.3
12	S	34.2	Very low	31.2	Very low	111 Å²	111	127.7 Å²	127.7	78%	0.776	80%	0.795	S	S	*	*			trans	-65.1	132.9	142.5	45.7	0	0	0	0	111.5
13	V	35.6	Very low	31.2	Very low	133 Å²	133	125.4 Å²	125.4	81%	0.806	78%	0.781	S	S	*	*			trans	177	149.9	137.9	144.7	0	0	0	0	108.3
14	Q	32	Very low	31.4	Very low	191 Å²	191	122 Å²	122	89%	0.893	76%	0.76	S	S	*	*			trans	76.4	78.5	-175.3	-64.8	176.9	-1.7	0	0	116.9
15	K	34.9	Very low	31.7	Very low	215 Å²	215	124.7 Å²	124.7	94%	0.935	75%	0.75	S	S	*	*			trans	-130.9	82.4	153.5	-165.1	179.5	-171.7	-178.9	0	109.4
16	A	32.3	Very low	31.8	Very low	104 Å²	104	123.7 Å²	123.7	86%	0.86	73%	0.73	S	S	*	*			trans	-166.1	59.7	175.1	0	0	0	0	0	111.8
17	A	30.9	Very low	32.5	Very low	76 Å²	76	123.2 Å²	123.2	63%	0.628	72%	0.716	S	S	*	*	S	Bend	trans	-158.8	157.9	166.5	0	0	0	0	0	109.3
18	H	35.2	Very low	33	Very low	190 Å²	190	121.5 Å²	121.5	88%	0.88	70%	0.703	S	S	*	*	S	Bend	trans	80.5	12.5	171.9	-49.3	-65.6	0	0	0	119.7
19	S	31.3	Very low	33.6	Very low	114 Å²	114	121.3 Å²	121.3	80%	0.797	70%	0.697	S	S	*	*	S	Bend	trans	-96.2	-5.3	170.1	-167.9	0	0	0	0	115
20	E	30	Very low	34.6	Very low	173 Å²	173	119.9 Å²	119.9	81%	0.808	68%	0.682	S	S	*	*	S	Bend	trans	-103.8	-9.7	-162.5	-65.2	-179.5	143.4	0	0	115.2
21	N	33.1	Very low	36.2	Very low	141 Å²	141	121 Å²	121	75%	0.754	68%	0.675	S	S	*	*	H	α-helix	trans	-90.5	-17.4	-160.9	-130.9	30.8	0	0	0	116.1
22	S	37.1	Very low	38	Very low	98 Å²	98	117 Å²	117	69%	0.685	65%	0.653	S	S	*	*	H	α-helix	trans	-92.9	-35.6	-176.1	56.8	0	0	0	0	113.8	A24	S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 3.11Å
23	G	30.8	Very low	39.1	Very low	52 Å²	52	117 Å²	117	54%	0.536	64%	0.64	S	S	.	*	H	α-helix	trans	-65.6	-34.7	174.4	0	0	0	0	0	112.9	S27	G23-S27 PolarHBondContact O-N 3.29Å
24	A	35.5	Very low	40.9	Very low	42 Å²	42	114.5 Å²	114.5	35%	0.347	62%	0.621	S	S	.	*	H	α-helix	trans	-61.8	-45.1	180	0	0	0	0	0	113.1	S22 K26 S27 Q28	S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 3.11Å; A24-K26 PolarHBondContact O-N 2.97Å; A24-S27 PolarHBondContact O-N 3.16Å; A24-S27 PolarHBondContact O-OG 3.37Å; A24-S27 VanDerWaalsContact O-OG 3.05Å; A24-Q28 WeakPolarHBondContact O-CB 3.09Å; A24-Q28 PolarHBondContact O-N 2.91Å
25	K	36	Very low	43.2	Very low	132 Å²	132	107.4 Å²	107.4	57%	0.574	59%	0.588	S	S	*	*	H	α-helix	trans	-59.6	-40.7	-177.1	-80.8	-166.6	171.7	-167.5	0	112.7	H29 E439	K25-H29 PolarHBondContact O-N 3.4Å; K25-E439 IonicContact NZ-OE1 2.62Å; K25-E439 PolarHBondContact NZ-OE1 3.26Å
26	K	33.8	Very low	45.2	Very low	108 Å²	108	101.2 Å²	101.2	47%	0.47	56%	0.559	S	S	.	*	H	α-helix	trans	-75	-38.4	179.6	-81.2	-173.8	179.7	174.1	0	113.4	A24 Q28 S30 D482	A24-K26 PolarHBondContact O-N 2.97Å; K26-Q28 VanDerWaalsContact C-N 3.28Å; K26-Q28 PolarHBondContact O-N 3.18Å; K26-S30 PolarHBondContact O-N 2.75Å; K26-D482 IonicContact NZ-OD1 3.06Å; K26-D482 PolarHBondContact NZ-OD1 3.31Å; K26-D482 IonicContact NZ-OD2 3.57Å; K26-D482 PolarHBondContact NZ-OD2 2.86Å
27	S	41.7	Very low	47.3	Very low	54 Å²	54	100.8 Å²	100.8	38%	0.378	54%	0.541	S	S	.	.	H	α-helix	trans	-63.8	-40.4	173.5	68.7	0	0	0	0	110.7	G23 A24 H29 S30 E31	G23-S27 PolarHBondContact O-N 3.29Å; A24-S27 PolarHBondContact O-N 3.16Å; A24-S27 PolarHBondContact O-OG 3.37Å; A24-S27 VanDerWaalsContact O-OG 3.05Å; S27-H29 PolarHBondContact O-N 3.38Å; S27-S30 PolarHBondContact O-N 2.84Å; S27-E31 WeakPolarHBondContact O-CB 3.38Å; S27-E31 VanDerWaalsContact O-CG 3.3Å; S27-E31 WeakPolarHBondContact O-CG 3.47Å; S27-E31 PolarHBondContact O-N 3.04Å
28	Q	40	Very low	49.7	Very low	119 Å²	119	100 Å²	100	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-63.8	-37.3	-177.5	-168.6	167.5	0.8	0	0	113.5	A24 K26 E32	A24-Q28 WeakPolarHBondContact O-CB 3.09Å; A24-Q28 PolarHBondContact O-N 2.91Å; K26-Q28 VanDerWaalsContact C-N 3.28Å; K26-Q28 PolarHBondContact O-N 3.18Å; Q28-E32 VanDerWaalsContact O-CB 3.25Å; Q28-E32 WeakPolarHBondContact O-CB 3.25Å; Q28-E32 PolarHBondContact O-N 2.94Å
29	H	41.5	Very low	51.9	Low	141 Å²	141	91 Å²	91	65%	0.653	49%	0.485	S	S	*	.	H	α-helix	trans	-67.8	-42.2	175.2	-168	-75.3	0	0	0	112.3	K25 S27 E32 E33	K25-H29 PolarHBondContact O-N 3.4Å; S27-H29 PolarHBondContact O-N 3.38Å; H29-E32 PolarHBondContact O-N 3.39Å; H29-E33 PolarHBondContact O-N 2.93Å
30	S	47.3	Very low	54	Low	60 Å²	60	91.2 Å²	91.2	42%	0.42	47%	0.468	S	S	.	.	H	α-helix	trans	-67.5	-40.6	176.4	-176.9	0	0	0	0	111.9	K26 S27 E32 E33 I34	K26-S30 PolarHBondContact O-N 2.75Å; S27-S30 PolarHBondContact O-N 2.84Å; S30-E32 VanDerWaalsContact C-N 3.3Å; S30-E32 PolarHBondContact O-N 2.85Å; S30-E33 PolarHBondContact O-N 2.98Å; S30-I34 WeakPolarHBondContact O-CB 3.37Å; S30-I34 WeakPolarHBondContact O-CD1 3.37Å; S30-I34 VanDerWaalsContact O-CG1 3.23Å; S30-I34 WeakPolarHBondContact O-CG1 3.13Å; S30-I34 PolarHBondContact O-N 2.8Å
31	E	59.5	Low	56.4	Low	124 Å²	124	83 Å²	83	58%	0.579	43%	0.43	S	S	*	.	H	α-helix	trans	-62.1	-36.3	172.7	-75.4	173.4	-158.4	0	0	112.2	S27 F35	S27-E31 WeakPolarHBondContact O-CB 3.38Å; S27-E31 VanDerWaalsContact O-CG 3.3Å; S27-E31 WeakPolarHBondContact O-CG 3.47Å; S27-E31 PolarHBondContact O-N 3.04Å; E31-F35 WeakPolarHBondContact O-CB 3.33Å; E31-F35 PolarHBondContact O-N 2.8Å
32	E	65.1	Low	59	Low	79 Å²	79	76.3 Å²	76.3	37%	0.369	39%	0.394	S	S	.	.	H	α-helix	trans	-72	-41.6	178.6	-174.1	143.4	-137.6	0	0	112.5	Q28 H29 S30 F35 Y36 K97	Q28-E32 VanDerWaalsContact O-CB 3.25Å; Q28-E32 WeakPolarHBondContact O-CB 3.25Å; Q28-E32 PolarHBondContact O-N 2.94Å; H29-E32 PolarHBondContact O-N 3.39Å; S30-E32 VanDerWaalsContact C-N 3.3Å; S30-E32 PolarHBondContact O-N 2.85Å; E32-F35 WeakPolarHBondContact O-CB 3.24Å; E32-F35 PolarHBondContact O-N 2.93Å; E32-Y36 HydrophobicContact CG-CD2 3.83Å; E32-Y36 HydrophobicContact CG-CE2 3.67Å; E32-Y36 VanDerWaalsContact O-CD2 3.25Å; E32-Y36 WeakPolarHBondContact O-CD2 3.48Å; E32-Y36 PolarHBondContact O-N 2.86Å; E32-K97 WeakPolarHBondContact OE1-CE 3.12Å; E32-K97 IonicContact OE1-NZ 2.73Å; E32-K97 PolarHBondContact OE1-NZ 3.27Å
33	E	58.6	Low	61.3	Low	110 Å²	110	71.7 Å²	71.7	51%	0.514	36%	0.361	S	S	.	.	H	α-helix	trans	-60.8	-48.7	172.7	-167.8	-162.2	150	0	0	111.5	H29 S30 F35 Y36 M37	H29-E33 PolarHBondContact O-N 2.93Å; S30-E33 PolarHBondContact O-N 2.98Å; E33-F35 VanDerWaalsContact C-N 3.27Å; E33-F35 PolarHBondContact O-N 2.83Å; E33-Y36 PolarHBondContact O-N 2.78Å; E33-M37 PolarHBondContact O-N 2.81Å
34	I	72.5	Confident	63.6	Low	81 Å²	81	71.5 Å²	71.5	42%	0.415	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-40.8	174.9	-69.1	166.7	0	0	0	110.5	S30 M37 N38	S30-I34 WeakPolarHBondContact O-CB 3.37Å; S30-I34 WeakPolarHBondContact O-CD1 3.37Å; S30-I34 VanDerWaalsContact O-CG1 3.23Å; S30-I34 WeakPolarHBondContact O-CG1 3.13Å; S30-I34 PolarHBondContact O-N 2.8Å; I34-M37 PolarHBondContact O-N 2.84Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.23Å; I34-N38 WeakPolarHBondContact O-CB 3.27Å; I34-N38 PolarHBondContact O-N 3.11Å; I34-N38 PolarHBondContact O-ND2 2.87Å; I34-N38 VanDerWaalsContact O-ND2 3.07Å
35	F	80.1	Confident	66	Low	42 Å²	42	71.5 Å²	71.5	18%	0.184	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-49.3	175.5	170.5	-89.6	0	0	0	112	E31 E32 E33 N38 C39 C93 L96 K97	E31-F35 WeakPolarHBondContact O-CB 3.33Å; E31-F35 PolarHBondContact O-N 2.8Å; E32-F35 WeakPolarHBondContact O-CB 3.24Å; E32-F35 PolarHBondContact O-N 2.93Å; E33-F35 VanDerWaalsContact C-N 3.27Å; E33-F35 PolarHBondContact O-N 2.83Å; F35-N38 PolarHBondContact O-N 2.89Å; F35-C39 WeakPolarHBondContact CE1-SG 3.43Å; F35-C39 WeakPolarHBondContact CZ-SG 3.39Å; F35-C39 PolarHBondContact O-N 2.88Å; F35-C39 PolarHBondContact O-SG 2.86Å; F35-C93 HydrophobicContact CE1-CB 4.23Å; F35-L96 HydrophobicContact CE2-CB 3.94Å; F35-L96 HydrophobicContact CZ-CB 3.82Å; F35-K97 HydrophobicContact CE1-CD 4.19Å; F35-K97 HydrophobicContact CE1-CG 3.82Å; F35-K97 HydrophobicContact CE2-CG 4.09Å; F35-K97 HydrophobicContact CZ-CD 4.36Å; F35-K97 HydrophobicContact CZ-CG 3.5Å; F35-K97 VanDerWaalsContact CZ-CG 3.5Å
36	Y	77.1	Confident	68.4	Low	85 Å²	85	67.3 Å²	67.3	33%	0.333	33%	0.329	S	S	.	.	H	α-helix	trans	-67.2	-37.3	179.6	-83.1	-75.1	0	0	0	112.5	E32 E33 C39 R40 F89 C93 K97	E32-Y36 HydrophobicContact CG-CD2 3.83Å; E32-Y36 HydrophobicContact CG-CE2 3.67Å; E32-Y36 VanDerWaalsContact O-CD2 3.25Å; E32-Y36 WeakPolarHBondContact O-CD2 3.48Å; E32-Y36 PolarHBondContact O-N 2.86Å; E33-Y36 PolarHBondContact O-N 2.78Å; Y36-C39 PolarHBondContact O-N 2.97Å; Y36-R40 WeakPolarHBondContact O-CB 3.34Å; Y36-R40 PolarHBondContact O-N 2.94Å; Y36-F89 HydrophobicContact CD1-CE1 4.39Å; Y36-C93 HydrophobicContact CD1-CB 4.45Å; Y36-C93 HydrophobicContact CE1-CB 3.84Å; Y36-K97 PolarHBondContact OH-NZ 2.85Å
37	M	76.9	Confident	70.4	Confident	96 Å²	96	62.4 Å²	62.4	47%	0.473	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-44.9	172.9	-179.7	167.5	56.3	0	0	111.9	E33 I34 R40 A41 L179	E33-M37 PolarHBondContact O-N 2.81Å; I34-M37 PolarHBondContact O-N 2.84Å; M37-R40 PolarHBondContact O-N 2.85Å; M37-A41 WeakPolarHBondContact O-CB 3.03Å; M37-A41 PolarHBondContact O-N 3.32Å; M37-L179 HydrophobicContact CG-CD2 4.16Å
38	N	81.2	Confident	71.8	Confident	59 Å²	59	68.8 Å²	68.8	32%	0.316	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-42.5	175.5	-72.8	-29	0	0	0	112.1	I34 F35 R40 A41 A42 L179	I34-N38 WeakPolarHBondContact CG2-ND2 3.23Å; I34-N38 WeakPolarHBondContact O-CB 3.27Å; I34-N38 PolarHBondContact O-N 3.11Å; I34-N38 PolarHBondContact O-ND2 2.87Å; I34-N38 VanDerWaalsContact O-ND2 3.07Å; F35-N38 PolarHBondContact O-N 2.89Å; N38-R40 PolarHBondContact O-N 3.26Å; N38-A41 PolarHBondContact O-N 2.9Å; N38-A42 PolarHBondContact O-N 3.2Å; N38-L179 WeakPolarHBondContact OD1-CD1 2.99Å
39	C	80.5	Confident	72.9	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.014	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-48.1	173.9	-67.9	0	0	0	0	110.9	F35 Y36 A41 A42 Y43 F89 F92 L96	F35-C39 WeakPolarHBondContact CE1-SG 3.43Å; F35-C39 WeakPolarHBondContact CZ-SG 3.39Å; F35-C39 PolarHBondContact O-N 2.88Å; F35-C39 PolarHBondContact O-SG 2.86Å; Y36-C39 PolarHBondContact O-N 2.97Å; C39-A41 PolarHBondContact O-N 2.84Å; C39-A42 PolarHBondContact O-N 3.34Å; C39-Y43 WeakPolarHBondContact O-CB 3.3Å; C39-Y43 PolarHBondContact O-N 2.92Å; C39-F89 HydrophobicContact CB-CE2 4.12Å; C39-F89 HydrophobicContact CB-CZ 3.95Å; C39-F92 HydrophobicContact CB-CD1 4.44Å; C39-F92 HydrophobicContact CB-CE1 3.9Å; C39-F92 WeakPolarHBondContact O-CE1 3.42Å; C39-L96 HydrophobicContact CB-CD1 4.38Å; C39-L96 WeakPolarHBondContact SG-CD1 3.34Å
40	R	75.2	Confident	73.8	Confident	117 Å²	117	60.2 Å²	60.2	44%	0.442	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-41	-179.1	-173.7	168.5	178.6	-95.1	3	112.4	Y36 M37 N38 L44 F89	Y36-R40 WeakPolarHBondContact O-CB 3.34Å; Y36-R40 PolarHBondContact O-N 2.94Å; M37-R40 PolarHBondContact O-N 2.85Å; N38-R40 PolarHBondContact O-N 3.26Å; R40-L44 HydrophobicContact CG-CD1 3.85Å; R40-L44 WeakPolarHBondContact O-CB 3.34Å; R40-L44 VanDerWaalsContact O-CG 3.28Å; R40-L44 WeakPolarHBondContact O-CG 3.46Å; R40-L44 PolarHBondContact O-N 2.82Å; R40-L44 VanDerWaalsContact O-N 3.1Å; R40-F89 HydrophobicContact CB-CE2 4.2Å; R40-F89 HydrophobicContact CB-CZ 3.86Å
41	A	81	Confident	74	Confident	2 Å²	2	64.7 Å²	64.7	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-51.9	175	0	0	0	0	0	111.6	M37 N38 C39 Y43 L44 T45 A178 L179 L182	M37-A41 WeakPolarHBondContact O-CB 3.03Å; M37-A41 PolarHBondContact O-N 3.32Å; N38-A41 PolarHBondContact O-N 2.9Å; C39-A41 PolarHBondContact O-N 2.84Å; A41-Y43 PolarHBondContact O-N 2.91Å; A41-L44 PolarHBondContact O-N 3.48Å; A41-T45 PolarHBondContact O-N 3.02Å; A41-A178 HydrophobicContact CB-CB 4.27Å; A41-L179 HydrophobicContact CB-CD2 3.79Å; A41-L179 HydrophobicContact CB-CG 4.13Å; A41-L182 HydrophobicContact CB-CB 4.32Å; A41-L182 HydrophobicContact CB-CD2 3.93Å
42	A	87.3	Confident	74.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-46.6	177.3	0	0	0	0	0	112.4	N38 C39 L44 T45 Q66 A67 F92	N38-A42 PolarHBondContact O-N 3.2Å; C39-A42 PolarHBondContact O-N 3.34Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 2.99Å; A42-T45 PolarHBondContact O-N 2.82Å; A42-T45 PolarHBondContact O-OG1 3.29Å; A42-Q66 HydrophobicContact CB-CB 4.1Å; A42-A67 HydrophobicContact CB-CB 3.64Å; A42-F92 HydrophobicContact CB-CZ 4.48Å
43	Y	84.7	Confident	75.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-44.6	179	-157.7	-93.2	0	0	0	112.5	C39 A41 T45 V46 L47 E52 I54 V63 F89 F92	C39-Y43 WeakPolarHBondContact O-CB 3.3Å; C39-Y43 PolarHBondContact O-N 2.92Å; A41-Y43 PolarHBondContact O-N 2.91Å; Y43-T45 VanDerWaalsContact C-N 3.29Å; Y43-T45 PolarHBondContact O-N 2.94Å; Y43-V46 PolarHBondContact O-N 2.72Å; Y43-L47 HydrophobicContact CD1-CB 4.25Å; Y43-L47 HydrophobicContact CD1-CD1 3.96Å; Y43-L47 HydrophobicContact CD2-CD1 4.43Å; Y43-L47 HydrophobicContact CE1-CB 4.18Å; Y43-L47 HydrophobicContact CE1-CD1 3.39Å; Y43-L47 HydrophobicContact CE1-CG 4.41Å; Y43-L47 HydrophobicContact CE2-CD1 3.95Å; Y43-L47 HydrophobicContact CG-CD1 4.45Å; Y43-L47 PolarHBondContact O-N 2.85Å; Y43-E52 VanDerWaalsContact CE1-O 3.25Å; Y43-E52 WeakPolarHBondContact CE1-O 3.32Å; Y43-E52 PolarHBondContact OH-O 3.2Å; Y43-I54 HydrophobicContact CE2-CD1 3.9Å; Y43-I54 HydrophobicContact CE2-CG1 3.94Å; Y43-V63 HydrophobicContact CD2-CG1 3.97Å; Y43-V63 HydrophobicContact CG-CG1 4.48Å; Y43-F89 HydrophobicContact CD1-CD2 4.03Å; Y43-F89 AromaticContact CD2-CD2 3.71Å; Y43-F89 HydrophobicContact CD2-CD2 3.71Å; Y43-F89 HydrophobicContact CD2-CE2 4.33Å; Y43-F89 HydrophobicContact CE1-CD2 4.38Å; Y43-F89 HydrophobicContact CE2-CB 4.44Å; Y43-F89 HydrophobicContact CE2-CD2 4.08Å; Y43-F89 AromaticContact CG-CD2 3.67Å; Y43-F89 HydrophobicContact CG-CD2 3.67Å; Y43-F89 HydrophobicContact CG-CE2 4.12Å; Y43-F92 HydrophobicContact CD2-CB 4.16Å; Y43-F92 AromaticContact CD2-CD1 3.52Å; Y43-F92 HydrophobicContact CD2-CD1 3.52Å; Y43-F92 HydrophobicContact CD2-CE1 4.02Å; Y43-F92 AromaticContact CD2-CG 3.84Å; Y43-F92 HydrophobicContact CD2-CG 3.84Å; Y43-F92 HydrophobicContact CE2-CB 3.95Å; Y43-F92 HydrophobicContact CE2-CD1 4.18Å; Y43-F92 HydrophobicContact CE2-CG 4.13Å; Y43-F92 HydrophobicContact CG-CD1 4.46Å
44	L	80.1	Confident	76.6	Confident	48 Å²	48	55 Å²	55	25%	0.251	27%	0.273	S	S	.	.	H	α-helix	trans	-76	-7.5	-177.9	-69	172.6	0	0	0	114.8	R40 A41 A42 L47 S49 L182	R40-L44 HydrophobicContact CG-CD1 3.85Å; R40-L44 WeakPolarHBondContact O-CB 3.34Å; R40-L44 VanDerWaalsContact O-CG 3.28Å; R40-L44 WeakPolarHBondContact O-CG 3.46Å; R40-L44 PolarHBondContact O-N 2.82Å; R40-L44 VanDerWaalsContact O-N 3.1Å; A41-L44 PolarHBondContact O-N 3.48Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 2.99Å; L44-L47 CarbonylContact C-O 3.58Å; L44-L47 WeakPolarHBondContact CA-O 3.14Å; L44-S49 VanDerWaalsContact CD2-C 3.48Å; L44-L182 HydrophobicContact CD1-CD1 3.58Å
45	T	85.1	Confident	77.5	Confident	42 Å²	42	57 Å²	57	26%	0.258	28%	0.279	S	S	.	.	H	α-helix	trans	-78.3	-20.6	170.7	61.1	0	0	0	0	113.7	A41 A42 Y43 Q66 A178 K181	A41-T45 PolarHBondContact O-N 3.02Å; A42-T45 PolarHBondContact O-N 2.82Å; A42-T45 PolarHBondContact O-OG1 3.29Å; Y43-T45 VanDerWaalsContact C-N 3.29Å; Y43-T45 PolarHBondContact O-N 2.94Å; T45-Q66 VanDerWaalsContact OG1-CB 3.27Å; T45-Q66 WeakPolarHBondContact OG1-CB 3.45Å; T45-Q66 WeakPolarHBondContact OG1-CG 3.34Å; T45-A178 HydrophobicContact CG2-CB 3.57Å; T45-K181 HydrophobicContact CG2-CD 4.25Å
46	V	87.1	Confident	78.2	Confident	45 Å²	45	56.5 Å²	56.5	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-112.3	-35.2	-177.9	-173.5	0	0	0	0	111.6	Y43 Q59 L62 V63 Q66	Y43-V46 PolarHBondContact O-N 2.72Å; V46-Q59 HydrophobicContact CG1-CG 4.4Å; V46-L62 HydrophobicContact CG1-CB 4.03Å; V46-L62 HydrophobicContact CG1-CD1 4.28Å; V46-L62 HydrophobicContact CG2-CB 3.9Å; V46-V63 HydrophobicContact CB-CG2 3.62Å; V46-V63 HydrophobicContact CG1-CG2 3.99Å; V46-V63 HydrophobicContact CG2-CB 4.44Å; V46-V63 HydrophobicContact CG2-CG2 3.72Å; V46-Q66 HydrophobicContact CG2-CG 4.09Å
47	L	76.4	Confident	78.9	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-113.1	149.3	-177.7	-62.8	172.2	0	0	0	110.5	Y43 L44 S49 E52 I54	Y43-L47 HydrophobicContact CD1-CB 4.25Å; Y43-L47 HydrophobicContact CD1-CD1 3.96Å; Y43-L47 HydrophobicContact CD2-CD1 4.43Å; Y43-L47 HydrophobicContact CE1-CB 4.18Å; Y43-L47 HydrophobicContact CE1-CD1 3.39Å; Y43-L47 HydrophobicContact CE1-CG 4.41Å; Y43-L47 HydrophobicContact CE2-CD1 3.95Å; Y43-L47 HydrophobicContact CG-CD1 4.45Å; Y43-L47 PolarHBondContact O-N 2.85Å; L44-L47 CarbonylContact C-O 3.58Å; L44-L47 WeakPolarHBondContact CA-O 3.14Å; L47-S49 VanDerWaalsContact C-N 3.28Å; L47-S49 PolarHBondContact O-N 3.44Å; L47-E52 HydrophobicContact CB-CB 4.43Å; L47-E52 HydrophobicContact CD2-CG 4.18Å; L47-I54 HydrophobicContact CD1-CG1 3.73Å
48	K	70.2	Confident	79.7	Confident	188 Å²	188	55.8 Å²	55.8	82%	0.817	28%	0.278	S	S	*	.	S	Bend	trans	-79.2	-13.2	-171.4	-64.4	177	-178.7	174.9	0	113.5	E52	K48-E52 PolarHBondContact N-OE2 2.95Å
49	S	63.6	Low	80.3	Confident	46 Å²	46	55 Å²	55	32%	0.322	27%	0.273	S	S	.	.			trans	-156.2	151.1	-176.9	-178.9	0	0	0	0	110.1	L44 L47 L51 E52	L44-S49 VanDerWaalsContact CD2-C 3.48Å; L47-S49 VanDerWaalsContact C-N 3.28Å; L47-S49 PolarHBondContact O-N 3.44Å; S49-L51 PolarHBondContact O-N 2.8Å; S49-L51 PolarHBondContact OG-N 2.83Å; S49-L51 VanDerWaalsContact OG-N 3.15Å; S49-E52 WeakPolarHBondContact O-CB 3.46Å; S49-E52 PolarHBondContact O-N 2.8Å; S49-E52 VanDerWaalsContact O-N 3.08Å
50	S	60.2	Low	81	Confident	35 Å²	35	54.9 Å²	54.9	25%	0.245	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.5	169	51	0	0	0	0	112.9
51	L	51.1	Low	81.9	Confident	153 Å²	153	50.4 Å²	50.4	80%	0.801	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-3.1	172.1	-55.9	178.3	0	0	0	113.2	S49	S49-L51 PolarHBondContact O-N 2.8Å; S49-L51 PolarHBondContact OG-N 2.83Å; S49-L51 VanDerWaalsContact OG-N 3.15Å
52	E	67.1	Low	82.4	Confident	55 Å²	55	54.2 Å²	54.2	26%	0.257	28%	0.278	S	S	.	.	S	Bend	trans	-86.7	123.8	172.7	-175.1	170.1	-156.9	0	0	109.2	Y43 L47 K48 S49 K55	Y43-E52 VanDerWaalsContact CE1-O 3.25Å; Y43-E52 WeakPolarHBondContact CE1-O 3.32Å; Y43-E52 PolarHBondContact OH-O 3.2Å; L47-E52 HydrophobicContact CB-CB 4.43Å; L47-E52 HydrophobicContact CD2-CG 4.18Å; K48-E52 PolarHBondContact N-OE2 2.95Å; S49-E52 WeakPolarHBondContact O-CB 3.46Å; S49-E52 PolarHBondContact O-N 2.8Å; S49-E52 VanDerWaalsContact O-N 3.08Å; E52-K55 IonicContact OE1-NZ 3.91Å
53	N	81.7	Confident	82.7	Confident	56 Å²	56	54.2 Å²	54.2	30%	0.299	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-75.9	147.5	177.5	-66.7	-4	0	0	0	111.7	K55 T86 L87	N53-K55 PolarHBondContact O-N 2.79Å; N53-T86 HydrophobicContact CB-CG2 4.24Å; N53-L87 CarbonylContact C-O 3.4Å; N53-L87 WeakPolarHBondContact CA-O 3.39Å; N53-L87 WeakPolarHBondContact CB-O 3.3Å
54	I	89.3	Confident	83	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-64	125.8	163.3	-59.4	170.4	0	0	0	107.9	Y43 L47 S56 Q59 L60 W80 T86 L87 F92	Y43-I54 HydrophobicContact CE2-CD1 3.9Å; Y43-I54 HydrophobicContact CE2-CG1 3.94Å; L47-I54 HydrophobicContact CD1-CG1 3.73Å; I54-S56 WeakPolarHBondContact CG2-O 3.36Å; I54-Q59 HydrophobicContact CG2-CB 3.8Å; I54-L60 HydrophobicContact CD1-CD1 4.06Å; I54-L60 HydrophobicContact CG2-CB 4.02Å; I54-W80 HydrophobicContact CB-CZ3 4.35Å; I54-W80 HydrophobicContact CG2-CE3 4.37Å; I54-W80 HydrophobicContact CG2-CH2 4.29Å; I54-W80 HydrophobicContact CG2-CZ3 3.63Å; I54-T86 CarbonylContact O-C 3.55Å; I54-T86 VanDerWaalsContact O-CA 3.22Å; I54-T86 WeakPolarHBondContact O-CA 3.49Å; I54-L87 HydrophobicContact CB-CB 4.27Å; I54-L87 PolarHBondContact N-O 2.87Å; I54-L87 PolarHBondContact O-N 3.07Å; I54-F92 HydrophobicContact CD1-CB 4.31Å
55	K	92.4	Very high	83.6	Confident	122 Å²	122	55.3 Å²	55.3	53%	0.53	28%	0.282	S	S	.	.			trans	-116.5	0.2	-175	-66.8	164.5	-167.2	161.9	0	113.8	E52 N53 W80 T86	E52-K55 IonicContact OE1-NZ 3.91Å; N53-K55 PolarHBondContact O-N 2.79Å; K55-W80 VanDerWaalsContact C-CZ2 3.49Å; K55-T86 HydrophobicContact CG-CG2 4.2Å
56	S	94.3	Very high	83.8	Confident	31 Å²	31	55.5 Å²	55.5	22%	0.217	28%	0.28	C	S	.	.	S	Bend	trans	-149.8	155	-177.1	56.9	0	0	0	0	111.7	I54 E58 Q59 L60 W80	I54-S56 WeakPolarHBondContact CG2-O 3.36Å; S56-E58 WeakPolarHBondContact CB-OE2 3.48Å; S56-E58 PolarHBondContact O-N 3.11Å; S56-Q59 PolarHBondContact O-N 2.8Å; S56-Q59 WeakPolarHBondContact OG-CB 2.91Å; S56-Q59 WeakPolarHBondContact OG-CG 3.41Å; S56-Q59 PolarHBondContact OG-N 3.1Å; S56-Q59 PolarHBondContact OG-OE1 3.02Å; S56-L60 PolarHBondContact O-N 2.81Å; S56-L60 VanDerWaalsContact O-N 3.08Å; S56-W80 VanDerWaalsContact N-CH2 3.26Å
57	K	92.7	Very high	83.9	Confident	38 Å²	38	53.8 Å²	53.8	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-32.5	176.3	-173.1	179.3	167	-167.3	0	111.5	L60 C61 Q73 L76 N77 W80	K57-L60 PolarHBondContact O-N 3.04Å; K57-C61 WeakPolarHBondContact O-CB 3.38Å; K57-C61 PolarHBondContact O-N 3.4Å; K57-Q73 VanDerWaalsContact CE-OE1 3.29Å; K57-L76 HydrophobicContact CD-CB 4.36Å; K57-L76 HydrophobicContact CG-CB 4.13Å; K57-N77 WeakPolarHBondContact CE-OD1 3.12Å; K57-N77 PolarHBondContact NZ-OD1 3.09Å; K57-W80 HydrophobicContact CB-CB 4.26Å; K57-W80 HydrophobicContact CB-CD2 4.25Å; K57-W80 HydrophobicContact CB-CG 3.76Å; K57-W80 HydrophobicContact CG-CB 4.06Å; K57-W80 HydrophobicContact CG-CG 4.11Å
58	E	93.3	Very high	84.4	Confident	128 Å²	128	53.8 Å²	53.8	60%	0.598	27%	0.271	S	S	*	.	H	α-helix	trans	-65.3	-45.9	176.2	-64.3	64.4	-141.6	0	0	110.5	S56 C61 L62	S56-E58 WeakPolarHBondContact CB-OE2 3.48Å; S56-E58 PolarHBondContact O-N 3.11Å; E58-C61 WeakPolarHBondContact O-CB 3.43Å; E58-C61 PolarHBondContact O-N 3.01Å; E58-L62 WeakPolarHBondContact O-CG 3.46Å; E58-L62 PolarHBondContact O-N 3.05Å
59	Q	93.9	Very high	85.3	Confident	43 Å²	43	47.1 Å²	47.1	20%	0.201	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-41.7	172.6	-77.7	174.2	-36.2	0	0	112.1	V46 I54 S56 C61 L62 V63	V46-Q59 HydrophobicContact CG1-CG 4.4Å; I54-Q59 HydrophobicContact CG2-CB 3.8Å; S56-Q59 PolarHBondContact O-N 2.8Å; S56-Q59 WeakPolarHBondContact OG-CB 2.91Å; S56-Q59 WeakPolarHBondContact OG-CG 3.41Å; S56-Q59 PolarHBondContact OG-N 3.1Å; S56-Q59 PolarHBondContact OG-OE1 3.02Å; Q59-C61 VanDerWaalsContact C-N 3.31Å; Q59-C61 PolarHBondContact O-N 2.81Å; Q59-L62 PolarHBondContact O-N 3.49Å; Q59-V63 VanDerWaalsContact O-CG2 3.28Å; Q59-V63 WeakPolarHBondContact O-CG2 3.47Å; Q59-V63 PolarHBondContact O-N 3.13Å
60	L	94.5	Very high	86.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-43.7	175.3	179.4	61.6	0	0	0	111.4	I54 S56 K57 L64 L76 W80 L87 I95	I54-L60 HydrophobicContact CD1-CD1 4.06Å; I54-L60 HydrophobicContact CG2-CB 4.02Å; S56-L60 PolarHBondContact O-N 2.81Å; S56-L60 VanDerWaalsContact O-N 3.08Å; K57-L60 PolarHBondContact O-N 3.04Å; L60-L64 HydrophobicContact CD1-CD1 3.93Å; L60-L64 HydrophobicContact CD1-CG 4.2Å; L60-L64 HydrophobicContact CG-CD1 3.94Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 VanDerWaalsContact O-CG 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.08Å; L60-L64 VanDerWaalsContact O-N 3.1Å; L60-L76 HydrophobicContact CD2-CD2 4.3Å; L60-L76 HydrophobicContact CG-CD2 4.18Å; L60-W80 HydrophobicContact CB-CE3 4.29Å; L60-W80 HydrophobicContact CD2-CB 4.1Å; L60-W80 HydrophobicContact CD2-CE3 4.24Å; L60-L87 HydrophobicContact CD1-CD1 4.15Å; L60-L87 HydrophobicContact CD2-CD1 4.07Å; L60-I95 HydrophobicContact CD1-CD1 4.06Å
61	C	93.9	Very high	87.7	Confident	23 Å²	23	49.2 Å²	49.2	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-50.8	176.5	-174.2	0	0	0	0	111.8	K57 E58 Q59 V63 L64 Q65 L76	K57-C61 WeakPolarHBondContact O-CB 3.38Å; K57-C61 PolarHBondContact O-N 3.4Å; E58-C61 WeakPolarHBondContact O-CB 3.43Å; E58-C61 PolarHBondContact O-N 3.01Å; Q59-C61 VanDerWaalsContact C-N 3.31Å; Q59-C61 PolarHBondContact O-N 2.81Å; C61-V63 PolarHBondContact O-N 3.32Å; C61-L64 PolarHBondContact O-N 3.14Å; C61-Q65 WeakPolarHBondContact O-CG 3.34Å; C61-Q65 PolarHBondContact O-N 2.78Å; C61-L76 HydrophobicContact CB-CD1 3.77Å; C61-L76 HydrophobicContact CB-CD2 3.88Å; C61-L76 HydrophobicContact CB-CG 4.49Å
62	L	92.3	Very high	89.4	Confident	82 Å²	82	44 Å²	44	43%	0.429	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-46.5	179.7	-70.4	170	0	0	0	112	V46 E58 Q59 L64 Q65 Q66	V46-L62 HydrophobicContact CG1-CB 4.03Å; V46-L62 HydrophobicContact CG1-CD1 4.28Å; V46-L62 HydrophobicContact CG2-CB 3.9Å; E58-L62 WeakPolarHBondContact O-CG 3.46Å; E58-L62 PolarHBondContact O-N 3.05Å; Q59-L62 PolarHBondContact O-N 3.49Å; L62-L64 PolarHBondContact O-N 3.38Å; L62-Q65 WeakPolarHBondContact O-CB 3.42Å; L62-Q65 PolarHBondContact O-N 3.22Å; L62-Q66 VanDerWaalsContact O-CG 3.3Å; L62-Q66 WeakPolarHBondContact O-CG 3.38Å; L62-Q66 PolarHBondContact O-N 2.79Å
63	V	92.3	Very high	90.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-39.9	-178.7	-177.6	0	0	0	0	111.2	Y43 V46 Q59 C61 Q65 Q66 A67 F92	Y43-V63 HydrophobicContact CD2-CG1 3.97Å; Y43-V63 HydrophobicContact CG-CG1 4.48Å; V46-V63 HydrophobicContact CB-CG2 3.62Å; V46-V63 HydrophobicContact CG1-CG2 3.99Å; V46-V63 HydrophobicContact CG2-CB 4.44Å; V46-V63 HydrophobicContact CG2-CG2 3.72Å; Q59-V63 VanDerWaalsContact O-CG2 3.28Å; Q59-V63 WeakPolarHBondContact O-CG2 3.47Å; Q59-V63 PolarHBondContact O-N 3.13Å; C61-V63 PolarHBondContact O-N 3.32Å; V63-Q65 VanDerWaalsContact C-N 3.33Å; V63-Q65 PolarHBondContact O-N 2.89Å; V63-Q66 PolarHBondContact O-N 3.23Å; V63-A67 PolarHBondContact O-N 2.88Å; V63-A67 VanDerWaalsContact O-N 3.13Å; V63-F92 HydrophobicContact CB-CE2 4.2Å; V63-F92 HydrophobicContact CG1-CD1 4.46Å; V63-F92 HydrophobicContact CG1-CD2 3.91Å; V63-F92 HydrophobicContact CG1-CE1 3.96Å; V63-F92 HydrophobicContact CG1-CE2 3.36Å; V63-F92 HydrophobicContact CG1-CG 4.42Å; V63-F92 HydrophobicContact CG1-CZ 3.36Å
64	L	92.6	Very high	90.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-37.7	174.4	-72.6	170.1	0	0	0	112.1	L60 C61 L62 A67 G68 R69 P71 L76 F92 I95 L96	L60-L64 HydrophobicContact CD1-CD1 3.93Å; L60-L64 HydrophobicContact CD1-CG 4.2Å; L60-L64 HydrophobicContact CG-CD1 3.94Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 VanDerWaalsContact O-CG 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.08Å; L60-L64 VanDerWaalsContact O-N 3.1Å; C61-L64 PolarHBondContact O-N 3.14Å; L62-L64 PolarHBondContact O-N 3.38Å; L64-A67 CarbonylContact O-C 3.54Å; L64-A67 PolarHBondContact O-N 3.03Å; L64-G68 PolarHBondContact O-N 3.14Å; L64-R69 HydrophobicContact CB-CB 4.32Å; L64-R69 WeakPolarHBondContact O-CB 3.4Å; L64-R69 PolarHBondContact O-N 3.22Å; L64-P71 HydrophobicContact CB-CG 3.92Å; L64-P71 HydrophobicContact CD1-CB 4.03Å; L64-P71 HydrophobicContact CD1-CG 4Å; L64-L76 HydrophobicContact CD1-CD2 4.16Å; L64-F92 HydrophobicContact CD2-CD2 4.41Å; L64-F92 HydrophobicContact CD2-CE2 3.92Å; L64-F92 HydrophobicContact CG-CE2 4.38Å; L64-I95 HydrophobicContact CD1-CG2 4.41Å; L64-I95 HydrophobicContact CD2-CG2 3.92Å; L64-L96 HydrophobicContact CD2-CD2 3.7Å; L64-L96 HydrophobicContact CD2-CG 4.14Å
65	Q	91.1	Very high	90.5	Very high	69 Å²	69	52.2 Å²	52.2	32%	0.322	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-40.3	174	-73.8	173.9	-19.8	0	0	112.9	C61 L62 V63 A67 G68 R69	C61-Q65 WeakPolarHBondContact O-CG 3.34Å; C61-Q65 PolarHBondContact O-N 2.78Å; L62-Q65 WeakPolarHBondContact O-CB 3.42Å; L62-Q65 PolarHBondContact O-N 3.22Å; V63-Q65 VanDerWaalsContact C-N 3.33Å; V63-Q65 PolarHBondContact O-N 2.89Å; Q65-A67 PolarHBondContact O-N 3.48Å; Q65-G68 PolarHBondContact O-N 2.88Å; Q65-G68 VanDerWaalsContact O-N 3.08Å; Q65-R69 WeakPolarHBondContact CA-O 3.28Å
66	Q	89.5	Confident	90.4	Very high	46 Å²	46	46.6 Å²	46.6	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-70.7	-18.1	176.4	-60.4	-66.5	-52.9	0	0	112.4	A42 T45 V46 L62 V63	A42-Q66 HydrophobicContact CB-CB 4.1Å; T45-Q66 VanDerWaalsContact OG1-CB 3.27Å; T45-Q66 WeakPolarHBondContact OG1-CB 3.45Å; T45-Q66 WeakPolarHBondContact OG1-CG 3.34Å; V46-Q66 HydrophobicContact CG2-CG 4.09Å; L62-Q66 VanDerWaalsContact O-CG 3.3Å; L62-Q66 WeakPolarHBondContact O-CG 3.38Å; L62-Q66 PolarHBondContact O-N 2.79Å; V63-Q66 PolarHBondContact O-N 3.23Å
67	A	89.6	Confident	90.2	Very high	9 Å²	9	49.2 Å²	49.2	7%	0.074	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	17.8	169.5	0	0	0	0	0	114.1	A42 V63 L64 Q65 R69 F92 L96 C175	A42-A67 HydrophobicContact CB-CB 3.64Å; V63-A67 PolarHBondContact O-N 2.88Å; V63-A67 VanDerWaalsContact O-N 3.13Å; L64-A67 CarbonylContact O-C 3.54Å; L64-A67 PolarHBondContact O-N 3.03Å; Q65-A67 PolarHBondContact O-N 3.48Å; A67-R69 PolarHBondContact O-N 3.01Å; A67-R69 PolarHBondContact O-NH1 3.41Å; A67-F92 HydrophobicContact CB-CZ 4.17Å; A67-L96 HydrophobicContact CB-CD1 3.67Å; A67-L96 HydrophobicContact CB-CD2 3.86Å; A67-L96 HydrophobicContact CB-CG 4.41Å; A67-C175 VanDerWaalsContact C-SG 3.57Å
68	G	87.3	Confident	90.2	Very high	4 Å²	4	53.2 Å²	53.2	4%	0.041	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	28.6	175.8	0	0	0	0	0	114.4	L64 Q65 S171	L64-G68 PolarHBondContact O-N 3.14Å; Q65-G68 PolarHBondContact O-N 2.88Å; Q65-G68 VanDerWaalsContact O-N 3.08Å; G68-S171 VanDerWaalsContact CA-OG 3.28Å; G68-S171 WeakPolarHBondContact CA-OG 3.28Å; G68-S171 PolarHBondContact O-OG 3.31Å
69	R	88.5	Confident	90.2	Very high	48 Å²	48	48.7 Å²	48.7	18%	0.181	24%	0.241	C	C	.	.			trans	-110.8	145.5	171.2	-55.3	-54.8	-165	-84.6	0.5	110.4	L64 Q65 A67 P71 L96 E99	L64-R69 HydrophobicContact CB-CB 4.32Å; L64-R69 WeakPolarHBondContact O-CB 3.4Å; L64-R69 PolarHBondContact O-N 3.22Å; Q65-R69 WeakPolarHBondContact CA-O 3.28Å; A67-R69 PolarHBondContact O-N 3.01Å; A67-R69 PolarHBondContact O-NH1 3.41Å; R69-P71 VanDerWaalsContact O-CD 3.23Å; R69-P71 WeakPolarHBondContact O-CD 3.48Å; R69-L96 HydrophobicContact CG-CD2 3.63Å; R69-L96 PolarHBondContact NH2-O 2.76Å; R69-E99 VanDerWaalsContact CZ-O 3.32Å; R69-E99 PolarHBondContact NE-O 3.49Å; R69-E99 PolarHBondContact NH2-O 2.91Å
70	N	86.1	Confident	90.1	Very high	110 Å²	110	48.3 Å²	48.3	59%	0.588	24%	0.238	S	C	*	.			trans	-112.2	82.2	169.7	-165.4	15.6	0	0	0	109.9	S72 Y167	N70-S72 PolarHBondContact O-N 2.74Å; N70-Y167 HydrophobicContact CB-CE2 4.21Å
71	P	88.8	Confident	89.9	Confident	15 Å²	15	51.3 Å²	51.3	10%	0.097	26%	0.256	C	S	.	.			trans	-73.5	125.5	-171.9	30.9	-36.4	0	0	0	111.7	L64 R69 T75 L76	L64-P71 HydrophobicContact CB-CG 3.92Å; L64-P71 HydrophobicContact CD1-CB 4.03Å; L64-P71 HydrophobicContact CD1-CG 4Å; R69-P71 VanDerWaalsContact O-CD 3.23Å; R69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-T75 HydrophobicContact CB-CG2 4.06Å; P71-L76 HydrophobicContact CB-CD2 3.93Å; P71-L76 HydrophobicContact CB-CG 4.13Å; P71-L76 HydrophobicContact CG-CD2 3.88Å; P71-L76 HydrophobicContact CG-CG 4.33Å
72	S	87	Confident	89.3	Confident	43 Å²	43	56.5 Å²	56.5	30%	0.301	29%	0.293	S	S	.	.			trans	-62.6	159	170	70.1	0	0	0	0	112	N70 K74 T75 L76 E136	N70-S72 PolarHBondContact O-N 2.74Å; S72-K74 PolarHBondContact O-N 2.86Å; S72-T75 CarbonylContact O-C 3.51Å; S72-T75 WeakPolarHBondContact O-CA 2.79Å; S72-T75 WeakPolarHBondContact O-CB 3.14Å; S72-T75 PolarHBondContact O-N 3Å; S72-T75 PolarHBondContact OG-N 2.94Å; S72-T75 PolarHBondContact OG-OG1 3.34Å; S72-L76 WeakPolarHBondContact O-CG 3.12Å; S72-L76 PolarHBondContact O-N 3.41Å; S72-E136 WeakPolarHBondContact CB-OE1 3.3Å
73	Q	85.9	Confident	88.9	Confident	97 Å²	97	60.8 Å²	60.8	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-56.7	-35.2	171.6	-67.3	-65.6	-22.9	0	0	111.7	K57 L76 N77 E136	K57-Q73 VanDerWaalsContact CE-OE1 3.29Å; Q73-L76 PolarHBondContact O-N 3.3Å; Q73-N77 WeakPolarHBondContact O-CB 3.32Å; Q73-N77 PolarHBondContact O-N 2.9Å; Q73-N77 PolarHBondContact O-ND2 2.84Å; Q73-E136 WeakPolarHBondContact CA-OE1 3.42Å; Q73-E136 HydrophobicContact CB-CG 4.48Å; Q73-E136 WeakPolarHBondContact CB-OE1 3.45Å; Q73-E136 VanDerWaalsContact N-CD 3.26Å; Q73-E136 PolarHBondContact N-OE1 3.43Å; Q73-E136 PolarHBondContact N-OE2 3.34Å
74	K	86.3	Confident	88.6	Confident	163 Å²	163	62.2 Å²	62.2	71%	0.709	32%	0.319	S	S	*	.	H	α-helix	trans	-62	-43.4	171.1	-173.6	-178.4	179.1	-176.4	0	112.4	S72 K78 E136	S72-K74 PolarHBondContact O-N 2.86Å; K74-K78 PolarHBondContact O-N 2.95Å; K74-E136 PolarHBondContact N-OE1 3.36Å
75	T	88.4	Confident	88.3	Confident	24 Å²	24	67.5 Å²	67.5	15%	0.147	35%	0.352	C	S	.	.	H	α-helix	trans	-63.9	-43.1	175.1	-55.9	0	0	0	0	111	P71 S72 K78 Y79 E99	P71-T75 HydrophobicContact CB-CG2 4.06Å; S72-T75 CarbonylContact O-C 3.51Å; S72-T75 WeakPolarHBondContact O-CA 2.79Å; S72-T75 WeakPolarHBondContact O-CB 3.14Å; S72-T75 PolarHBondContact O-N 3Å; S72-T75 PolarHBondContact OG-N 2.94Å; S72-T75 PolarHBondContact OG-OG1 3.34Å; T75-K78 WeakPolarHBondContact O-CB 3.33Å; T75-K78 PolarHBondContact O-N 2.98Å; T75-Y79 HydrophobicContact CG2-CD2 4.45Å; T75-Y79 HydrophobicContact CG2-CE2 4.21Å; T75-Y79 VanDerWaalsContact O-CD2 3.26Å; T75-Y79 WeakPolarHBondContact O-CD2 3.49Å; T75-E99 HydrophobicContact CG2-CG 3.99Å; T75-E99 WeakPolarHBondContact CG2-OE2 3.4Å
76	L	90.6	Very high	88.2	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-44.6	177.5	-64.6	172.3	0	0	0	111.7	K57 L60 C61 L64 P71 S72 Q73 K78 Y79 W80	K57-L76 HydrophobicContact CD-CB 4.36Å; K57-L76 HydrophobicContact CG-CB 4.13Å; L60-L76 HydrophobicContact CD2-CD2 4.3Å; L60-L76 HydrophobicContact CG-CD2 4.18Å; C61-L76 HydrophobicContact CB-CD1 3.77Å; C61-L76 HydrophobicContact CB-CD2 3.88Å; C61-L76 HydrophobicContact CB-CG 4.49Å; L64-L76 HydrophobicContact CD1-CD2 4.16Å; P71-L76 HydrophobicContact CB-CD2 3.93Å; P71-L76 HydrophobicContact CB-CG 4.13Å; P71-L76 HydrophobicContact CG-CD2 3.88Å; P71-L76 HydrophobicContact CG-CG 4.33Å; S72-L76 WeakPolarHBondContact O-CG 3.12Å; S72-L76 PolarHBondContact O-N 3.41Å; Q73-L76 PolarHBondContact O-N 3.3Å; L76-K78 PolarHBondContact O-N 2.78Å; L76-Y79 PolarHBondContact O-N 3.14Å; L76-Y79 VanDerWaalsContact O-N 3.16Å; L76-W80 WeakPolarHBondContact O-CB 3.27Å; L76-W80 PolarHBondContact O-N 2.66Å
77	N	90.5	Very high	88.2	Confident	86 Å²	86	65.9 Å²	65.9	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-64	-23	177.9	-71.1	-16	0	0	0	113.7	K57 Q73 Y79	K57-N77 WeakPolarHBondContact CE-OD1 3.12Å; K57-N77 PolarHBondContact NZ-OD1 3.09Å; Q73-N77 WeakPolarHBondContact O-CB 3.32Å; Q73-N77 PolarHBondContact O-N 2.9Å; Q73-N77 PolarHBondContact O-ND2 2.84Å; N77-Y79 VanDerWaalsContact C-N 3.32Å
78	K	92.5	Very high	87.7	Confident	123 Å²	123	68.1 Å²	68.1	54%	0.535	36%	0.36	S	S	.	.	H	α-helix	trans	-68.8	-29.1	175.5	175.4	-172.5	170.7	-165.8	0	112.5	K74 T75 L76 E99	K74-K78 PolarHBondContact O-N 2.95Å; T75-K78 WeakPolarHBondContact O-CB 3.33Å; T75-K78 PolarHBondContact O-N 2.98Å; L76-K78 PolarHBondContact O-N 2.78Å; K78-E99 IonicContact NZ-OE1 3.91Å; K78-E99 PolarHBondContact NZ-OE1 2.74Å
79	Y	92.4	Very high	86.8	Confident	33 Å²	33	69.4 Å²	69.4	13%	0.129	36%	0.364	C	S	.	.	H	α-helix	trans	-113.5	-26.4	-176	-61.4	-66.8	0	0	0	113.4	T75 L76 N77 T84 I95 K98 E99	T75-Y79 HydrophobicContact CG2-CD2 4.45Å; T75-Y79 HydrophobicContact CG2-CE2 4.21Å; T75-Y79 VanDerWaalsContact O-CD2 3.26Å; T75-Y79 WeakPolarHBondContact O-CD2 3.49Å; L76-Y79 PolarHBondContact O-N 3.14Å; L76-Y79 VanDerWaalsContact O-N 3.16Å; N77-Y79 VanDerWaalsContact C-N 3.32Å; Y79-T84 PolarHBondContact O-OG1 2.76Å; Y79-I95 HydrophobicContact CD1-CD1 4.08Å; Y79-I95 HydrophobicContact CD1-CG1 3.65Å; Y79-I95 HydrophobicContact CD2-CG1 4.39Å; Y79-I95 HydrophobicContact CD2-CG2 3.89Å; Y79-I95 HydrophobicContact CE1-CG1 3.92Å; Y79-I95 HydrophobicContact CE1-CG2 4.47Å; Y79-I95 HydrophobicContact CE2-CG2 3.85Å; Y79-I95 HydrophobicContact CG-CD1 3.95Å; Y79-I95 HydrophobicContact CG-CG1 3.88Å; Y79-I95 HydrophobicContact CG-CG2 4.23Å; Y79-K98 WeakPolarHBondContact OH-CB 3.48Å; Y79-E99 HydrophobicContact CE2-CG 3.76Å; Y79-E99 WeakPolarHBondContact CE2-OE1 3.5Å; Y79-E99 PolarHBondContact OH-OE1 3.3Å
80	W	91.7	Very high	86.2	Confident	35 Å²	35	72 Å²	72	13%	0.133	38%	0.381	C	S	.	.	S	Bend	trans	-110.7	90	174.4	-158.4	-76.9	0	0	0	110.2	I54 K55 S56 K57 L60 L76 T84 L87	I54-W80 HydrophobicContact CB-CZ3 4.35Å; I54-W80 HydrophobicContact CG2-CE3 4.37Å; I54-W80 HydrophobicContact CG2-CH2 4.29Å; I54-W80 HydrophobicContact CG2-CZ3 3.63Å; K55-W80 VanDerWaalsContact C-CZ2 3.49Å; S56-W80 VanDerWaalsContact N-CH2 3.26Å; K57-W80 HydrophobicContact CB-CB 4.26Å; K57-W80 HydrophobicContact CB-CD2 4.25Å; K57-W80 HydrophobicContact CB-CG 3.76Å; K57-W80 HydrophobicContact CG-CB 4.06Å; K57-W80 HydrophobicContact CG-CG 4.11Å; L60-W80 HydrophobicContact CB-CE3 4.29Å; L60-W80 HydrophobicContact CD2-CB 4.1Å; L60-W80 HydrophobicContact CD2-CE3 4.24Å; L76-W80 WeakPolarHBondContact O-CB 3.27Å; L76-W80 PolarHBondContact O-N 2.66Å; W80-T84 HydrophobicContact CD2-CG2 3.99Å; W80-T84 HydrophobicContact CE3-CG2 3.85Å; W80-T84 HydrophobicContact CH2-CG2 4.26Å; W80-T84 HydrophobicContact CZ2-CG2 4.41Å; W80-T84 HydrophobicContact CZ3-CG2 3.99Å; W80-L87 HydrophobicContact CE3-CD1 3.77Å; W80-L87 HydrophobicContact CE3-CG 4.19Å; W80-L87 HydrophobicContact CZ3-CB 4.46Å; W80-L87 HydrophobicContact CZ3-CD1 3.9Å; W80-L87 HydrophobicContact CZ3-CG 3.89Å
81	T	90.3	Very high	86.3	Confident	62 Å²	62	69.7 Å²	69.7	38%	0.38	37%	0.369	S	S	.	.			trans	-93.6	173.1	178.9	73	0	0	0	0	111	Q83 T84	T81-Q83 PolarHBondContact O-N 2.78Å; T81-Q83 VanDerWaalsContact O-N 3.13Å; T81-Q83 PolarHBondContact OG1-N 2.76Å; T81-T84 PolarHBondContact N-OG1 2.99Å; T81-T84 WeakPolarHBondContact O-CB 3.38Å; T81-T84 PolarHBondContact O-N 3.26Å; T81-T84 PolarHBondContact OG1-N 2.79Å; T81-T84 PolarHBondContact OG1-OG1 3.33Å; T81-T84 VanDerWaalsContact OG1-OG1 3.08Å
82	S	82.2	Confident	86.3	Confident	132 Å²	132	69 Å²	69	92%	0.923	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.3	171.6	53.6	0	0	0	0	114.4
83	Q	82.6	Confident	86	Confident	173 Å²	173	67 Å²	67	81%	0.808	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-11.6	174.5	-61.3	178.3	-3.2	0	0	112.4	T81 T85	T81-Q83 PolarHBondContact O-N 2.78Å; T81-Q83 VanDerWaalsContact O-N 3.13Å; T81-Q83 PolarHBondContact OG1-N 2.76Å; Q83-T85 PolarHBondContact O-N 2.9Å
84	T	87.4	Confident	86	Confident	29 Å²	29	65.4 Å²	65.4	18%	0.178	35%	0.348	C	S	.	.			trans	-79.5	107.3	179.7	-52.3	0	0	0	0	109.7	Y79 W80 T81 L87	Y79-T84 PolarHBondContact O-OG1 2.76Å; W80-T84 HydrophobicContact CD2-CG2 3.99Å; W80-T84 HydrophobicContact CE3-CG2 3.85Å; W80-T84 HydrophobicContact CH2-CG2 4.26Å; W80-T84 HydrophobicContact CZ2-CG2 4.41Å; W80-T84 HydrophobicContact CZ3-CG2 3.99Å; T81-T84 PolarHBondContact N-OG1 2.99Å; T81-T84 WeakPolarHBondContact O-CB 3.38Å; T81-T84 PolarHBondContact O-N 3.26Å; T81-T84 PolarHBondContact OG1-N 2.79Å; T81-T84 PolarHBondContact OG1-OG1 3.33Å; T81-T84 VanDerWaalsContact OG1-OG1 3.08Å; T84-L87 HydrophobicContact CG2-CD1 4.4Å; T84-L87 HydrophobicContact CG2-CD2 3.85Å; T84-L87 HydrophobicContact CG2-CG 3.88Å
85	T	85.8	Confident	86.2	Confident	114 Å²	114	58 Å²	58	70%	0.699	32%	0.316	S	S	*	.			trans	-92.3	-37.3	176.2	53.5	0	0	0	0	112.6	Q83	Q83-T85 PolarHBondContact O-N 2.9Å
86	T	90.1	Very high	86.3	Confident	60 Å²	60	57.2 Å²	57.2	37%	0.368	31%	0.311	S	S	.	.			trans	-149.1	154.7	175	60.6	0	0	0	0	111.6	N53 I54 K55	N53-T86 HydrophobicContact CB-CG2 4.24Å; I54-T86 CarbonylContact O-C 3.55Å; I54-T86 VanDerWaalsContact O-CA 3.22Å; I54-T86 WeakPolarHBondContact O-CA 3.49Å; K55-T86 HydrophobicContact CG-CG2 4.2Å
87	L	87.9	Confident	86.1	Confident	20 Å²	20	61.8 Å²	61.8	11%	0.105	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-124.2	140.2	164.4	-60.8	171	0	0	0	109.5	N53 I54 L60 W80 T84 D91 I95	N53-L87 CarbonylContact C-O 3.4Å; N53-L87 WeakPolarHBondContact CA-O 3.39Å; N53-L87 WeakPolarHBondContact CB-O 3.3Å; I54-L87 HydrophobicContact CB-CB 4.27Å; I54-L87 PolarHBondContact N-O 2.87Å; I54-L87 PolarHBondContact O-N 3.07Å; L60-L87 HydrophobicContact CD1-CD1 4.15Å; L60-L87 HydrophobicContact CD2-CD1 4.07Å; W80-L87 HydrophobicContact CE3-CD1 3.77Å; W80-L87 HydrophobicContact CE3-CG 4.19Å; W80-L87 HydrophobicContact CZ3-CB 4.46Å; W80-L87 HydrophobicContact CZ3-CD1 3.9Å; W80-L87 HydrophobicContact CZ3-CG 3.89Å; T84-L87 HydrophobicContact CG2-CD1 4.4Å; T84-L87 HydrophobicContact CG2-CD2 3.85Å; T84-L87 HydrophobicContact CG2-CG 3.88Å; L87-D91 WeakPolarHBondContact CA-OD2 3.36Å; L87-D91 HydrophobicContact CB-CB 4.05Å; L87-D91 HydrophobicContact CD2-CB 4.1Å; L87-I95 HydrophobicContact CD1-CD1 3.95Å
88	N	78.8	Confident	86	Confident	56 Å²	56	64.1 Å²	64.1	30%	0.299	34%	0.336	S	S	.	.			trans	-94.1	-175.7	177.1	68.6	45.7	0	0	0	112	D90 D91 F92	N88-D90 WeakPolarHBondContact OD1-CA 3.3Å; N88-D90 WeakPolarHBondContact OD1-CB 3.06Å; N88-D90 PolarHBondContact OD1-N 3.12Å; N88-D91 PolarHBondContact N-OD2 3.36Å; N88-D91 PolarHBondContact ND2-OD2 3.4Å; N88-D91 PolarHBondContact OD1-N 2.98Å; N88-D91 PolarHBondContact OD1-OD2 2.71Å; N88-F92 PolarHBondContact O-N 3.02Å; N88-F92 VanDerWaalsContact O-N 3.12Å
89	F	70	Confident	85.7	Confident	32 Å²	32	60.1 Å²	60.1	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-35.7	-179.3	-177.7	-109	0	0	0	113.6	Y36 C39 R40 Y43 F92 C93	Y36-F89 HydrophobicContact CD1-CE1 4.39Å; C39-F89 HydrophobicContact CB-CE2 4.12Å; C39-F89 HydrophobicContact CB-CZ 3.95Å; R40-F89 HydrophobicContact CB-CE2 4.2Å; R40-F89 HydrophobicContact CB-CZ 3.86Å; Y43-F89 HydrophobicContact CD1-CD2 4.03Å; Y43-F89 AromaticContact CD2-CD2 3.71Å; Y43-F89 HydrophobicContact CD2-CD2 3.71Å; Y43-F89 HydrophobicContact CD2-CE2 4.33Å; Y43-F89 HydrophobicContact CE1-CD2 4.38Å; Y43-F89 HydrophobicContact CE2-CB 4.44Å; Y43-F89 HydrophobicContact CE2-CD2 4.08Å; Y43-F89 AromaticContact CG-CD2 3.67Å; Y43-F89 HydrophobicContact CG-CD2 3.67Å; Y43-F89 HydrophobicContact CG-CE2 4.12Å; F89-F92 HydrophobicContact CD2-CD1 4.25Å; F89-F92 HydrophobicContact CE2-CD1 4.22Å; F89-F92 WeakPolarHBondContact O-CB 3.39Å; F89-F92 PolarHBondContact O-N 3.05Å; F89-C93 VanDerWaalsContact CZ-SG 3.57Å; F89-C93 PolarHBondContact O-N 2.91Å; F89-C93 PolarHBondContact O-SG 3.2Å
90	D	75.4	Confident	85.2	Confident	101 Å²	101	67.1 Å²	67.1	54%	0.54	35%	0.351	S	S	.	.	H	α-helix	trans	-74.7	-35.9	179.6	-59.2	-42.5	0	0	0	111.6	N88 F92 C93 T94	N88-D90 WeakPolarHBondContact OD1-CA 3.3Å; N88-D90 WeakPolarHBondContact OD1-CB 3.06Å; N88-D90 PolarHBondContact OD1-N 3.12Å; D90-F92 VanDerWaalsContact C-N 3.31Å; D90-F92 PolarHBondContact O-N 3.33Å; D90-C93 PolarHBondContact O-N 2.84Å; D90-T94 VanDerWaalsContact O-CB 3.31Å; D90-T94 WeakPolarHBondContact O-CB 3.45Å; D90-T94 PolarHBondContact O-N 3.08Å; D90-T94 PolarHBondContact O-OG1 3.35Å
91	D	88	Confident	84.7	Confident	63 Å²	63	69 Å²	69	34%	0.337	37%	0.367	S	S	.	.	H	α-helix	trans	-57.9	-46.5	168.9	-64.2	-41.4	0	0	0	110.2	L87 N88 T94 I95	L87-D91 WeakPolarHBondContact CA-OD2 3.36Å; L87-D91 HydrophobicContact CB-CB 4.05Å; L87-D91 HydrophobicContact CD2-CB 4.1Å; N88-D91 PolarHBondContact N-OD2 3.36Å; N88-D91 PolarHBondContact ND2-OD2 3.4Å; N88-D91 PolarHBondContact OD1-N 2.98Å; N88-D91 PolarHBondContact OD1-OD2 2.71Å; D91-T94 WeakPolarHBondContact O-CB 3.4Å; D91-T94 PolarHBondContact O-N 3.45Å; D91-I95 VanDerWaalsContact O-CG1 3.29Å; D91-I95 WeakPolarHBondContact O-CG1 3.21Å; D91-I95 PolarHBondContact O-N 3.19Å
92	F	88.8	Confident	84.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-46.3	177.6	166.8	-107.5	0	0	0	112.7	C39 A42 Y43 I54 V63 L64 A67 N88 F89 D90 T94 I95 L96	C39-F92 HydrophobicContact CB-CD1 4.44Å; C39-F92 HydrophobicContact CB-CE1 3.9Å; C39-F92 WeakPolarHBondContact O-CE1 3.42Å; A42-F92 HydrophobicContact CB-CZ 4.48Å; Y43-F92 HydrophobicContact CD2-CB 4.16Å; Y43-F92 AromaticContact CD2-CD1 3.52Å; Y43-F92 HydrophobicContact CD2-CD1 3.52Å; Y43-F92 HydrophobicContact CD2-CE1 4.02Å; Y43-F92 AromaticContact CD2-CG 3.84Å; Y43-F92 HydrophobicContact CD2-CG 3.84Å; Y43-F92 HydrophobicContact CE2-CB 3.95Å; Y43-F92 HydrophobicContact CE2-CD1 4.18Å; Y43-F92 HydrophobicContact CE2-CG 4.13Å; Y43-F92 HydrophobicContact CG-CD1 4.46Å; I54-F92 HydrophobicContact CD1-CB 4.31Å; V63-F92 HydrophobicContact CB-CE2 4.2Å; V63-F92 HydrophobicContact CG1-CD1 4.46Å; V63-F92 HydrophobicContact CG1-CD2 3.91Å; V63-F92 HydrophobicContact CG1-CE1 3.96Å; V63-F92 HydrophobicContact CG1-CE2 3.36Å; V63-F92 HydrophobicContact CG1-CG 4.42Å; V63-F92 HydrophobicContact CG1-CZ 3.36Å; L64-F92 HydrophobicContact CD2-CD2 4.41Å; L64-F92 HydrophobicContact CD2-CE2 3.92Å; L64-F92 HydrophobicContact CG-CE2 4.38Å; A67-F92 HydrophobicContact CB-CZ 4.17Å; N88-F92 PolarHBondContact O-N 3.02Å; N88-F92 VanDerWaalsContact O-N 3.12Å; F89-F92 HydrophobicContact CD2-CD1 4.25Å; F89-F92 HydrophobicContact CE2-CD1 4.22Å; F89-F92 WeakPolarHBondContact O-CB 3.39Å; F89-F92 PolarHBondContact O-N 3.05Å; D90-F92 VanDerWaalsContact C-N 3.31Å; D90-F92 PolarHBondContact O-N 3.33Å; F92-T94 VanDerWaalsContact C-N 3.26Å; F92-T94 PolarHBondContact O-N 3.15Å; F92-I95 WeakPolarHBondContact O-CB 3.41Å; F92-I95 PolarHBondContact O-N 2.89Å; F92-I95 VanDerWaalsContact O-N 3.11Å; F92-L96 HydrophobicContact CD1-CD1 4.48Å; F92-L96 HydrophobicContact CE1-CD1 3.65Å; F92-L96 HydrophobicContact CE2-CD1 3.73Å; F92-L96 HydrophobicContact CE2-CG 3.89Å; F92-L96 HydrophobicContact CZ-CD1 3.21Å; F92-L96 HydrophobicContact CZ-CG 3.92Å; F92-L96 PolarHBondContact O-N 3.18Å
93	C	80.8	Confident	84.6	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.007	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-40.9	173.3	-66.6	0	0	0	0	111.3	F35 Y36 F89 D90 I95 L96 K97	F35-C93 HydrophobicContact CE1-CB 4.23Å; Y36-C93 HydrophobicContact CD1-CB 4.45Å; Y36-C93 HydrophobicContact CE1-CB 3.84Å; F89-C93 VanDerWaalsContact CZ-SG 3.57Å; F89-C93 PolarHBondContact O-N 2.91Å; F89-C93 PolarHBondContact O-SG 3.2Å; D90-C93 PolarHBondContact O-N 2.84Å; C93-I95 VanDerWaalsContact C-N 3.33Å; C93-I95 PolarHBondContact O-N 2.92Å; C93-L96 PolarHBondContact O-N 3.09Å; C93-K97 PolarHBondContact O-N 3.46Å
94	T	86.4	Confident	84.8	Confident	64 Å²	64	60.4 Å²	60.4	39%	0.393	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-34	176.5	-61.4	0	0	0	0	112.6	D90 D91 F92 K98	D90-T94 VanDerWaalsContact O-CB 3.31Å; D90-T94 WeakPolarHBondContact O-CB 3.45Å; D90-T94 PolarHBondContact O-N 3.08Å; D90-T94 PolarHBondContact O-OG1 3.35Å; D91-T94 WeakPolarHBondContact O-CB 3.4Å; D91-T94 PolarHBondContact O-N 3.45Å; F92-T94 VanDerWaalsContact C-N 3.26Å; F92-T94 PolarHBondContact O-N 3.15Å; T94-K98 HydrophobicContact CG2-CD 4.4Å; T94-K98 WeakPolarHBondContact O-CD 3.24Å; T94-K98 WeakPolarHBondContact O-CG 3.28Å; T94-K98 PolarHBondContact O-N 2.99Å
95	I	90.8	Very high	84.9	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-45.4	173.2	-67	164.9	0	0	0	110.3	L60 L64 Y79 L87 D91 F92 C93 K97 K98 E99	L60-I95 HydrophobicContact CD1-CD1 4.06Å; L64-I95 HydrophobicContact CD1-CG2 4.41Å; L64-I95 HydrophobicContact CD2-CG2 3.92Å; Y79-I95 HydrophobicContact CD1-CD1 4.08Å; Y79-I95 HydrophobicContact CD1-CG1 3.65Å; Y79-I95 HydrophobicContact CD2-CG1 4.39Å; Y79-I95 HydrophobicContact CD2-CG2 3.89Å; Y79-I95 HydrophobicContact CE1-CG1 3.92Å; Y79-I95 HydrophobicContact CE1-CG2 4.47Å; Y79-I95 HydrophobicContact CE2-CG2 3.85Å; Y79-I95 HydrophobicContact CG-CD1 3.95Å; Y79-I95 HydrophobicContact CG-CG1 3.88Å; Y79-I95 HydrophobicContact CG-CG2 4.23Å; L87-I95 HydrophobicContact CD1-CD1 3.95Å; D91-I95 VanDerWaalsContact O-CG1 3.29Å; D91-I95 WeakPolarHBondContact O-CG1 3.21Å; D91-I95 PolarHBondContact O-N 3.19Å; F92-I95 WeakPolarHBondContact O-CB 3.41Å; F92-I95 PolarHBondContact O-N 2.89Å; F92-I95 VanDerWaalsContact O-N 3.11Å; C93-I95 VanDerWaalsContact C-N 3.33Å; C93-I95 PolarHBondContact O-N 2.92Å; I95-K97 PolarHBondContact O-N 2.81Å; I95-K98 PolarHBondContact O-N 2.9Å; I95-E99 HydrophobicContact CG2-CG 4.3Å; I95-E99 PolarHBondContact O-N 2.86Å
96	L	88.9	Confident	85	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-66.8	-30.3	178.9	-79.5	-179.9	0	0	0	114.4	F35 C39 L64 A67 R69 F92 C93 K98 E99	F35-L96 HydrophobicContact CE2-CB 3.94Å; F35-L96 HydrophobicContact CZ-CB 3.82Å; C39-L96 HydrophobicContact CB-CD1 4.38Å; C39-L96 WeakPolarHBondContact SG-CD1 3.34Å; L64-L96 HydrophobicContact CD2-CD2 3.7Å; L64-L96 HydrophobicContact CD2-CG 4.14Å; A67-L96 HydrophobicContact CB-CD1 3.67Å; A67-L96 HydrophobicContact CB-CD2 3.86Å; A67-L96 HydrophobicContact CB-CG 4.41Å; R69-L96 HydrophobicContact CG-CD2 3.63Å; R69-L96 PolarHBondContact NH2-O 2.76Å; F92-L96 HydrophobicContact CD1-CD1 4.48Å; F92-L96 HydrophobicContact CE1-CD1 3.65Å; F92-L96 HydrophobicContact CE2-CD1 3.73Å; F92-L96 HydrophobicContact CE2-CG 3.89Å; F92-L96 HydrophobicContact CZ-CD1 3.21Å; F92-L96 HydrophobicContact CZ-CG 3.92Å; F92-L96 PolarHBondContact O-N 3.18Å; C93-L96 PolarHBondContact O-N 3.09Å; L96-K98 PolarHBondContact O-N 3.04Å; L96-E99 VanDerWaalsContact O-O 3.08Å
97	K	87.3	Confident	84.9	Confident	99 Å²	99	60.8 Å²	60.8	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-65.9	-26.1	169.7	-74.5	179.7	171	174.7	0	112.4	E32 F35 Y36 C93 I95	E32-K97 WeakPolarHBondContact OE1-CE 3.12Å; E32-K97 IonicContact OE1-NZ 2.73Å; E32-K97 PolarHBondContact OE1-NZ 3.27Å; F35-K97 HydrophobicContact CE1-CD 4.19Å; F35-K97 HydrophobicContact CE1-CG 3.82Å; F35-K97 HydrophobicContact CE2-CG 4.09Å; F35-K97 HydrophobicContact CZ-CD 4.36Å; F35-K97 HydrophobicContact CZ-CG 3.5Å; F35-K97 VanDerWaalsContact CZ-CG 3.5Å; Y36-K97 PolarHBondContact OH-NZ 2.85Å; C93-K97 PolarHBondContact O-N 3.46Å; I95-K97 PolarHBondContact O-N 2.81Å
98	K	87.8	Confident	85	Confident	134 Å²	134	62.1 Å²	62.1	58%	0.583	32%	0.324	S	S	*	.	H	α-helix	trans	-93.1	-36.1	-178.4	-70.2	170.3	-176	172.1	0	113.5	Y79 T94 I95 L96	Y79-K98 WeakPolarHBondContact OH-CB 3.48Å; T94-K98 HydrophobicContact CG2-CD 4.4Å; T94-K98 WeakPolarHBondContact O-CD 3.24Å; T94-K98 WeakPolarHBondContact O-CG 3.28Å; T94-K98 PolarHBondContact O-N 2.99Å; I95-K98 PolarHBondContact O-N 2.9Å; L96-K98 PolarHBondContact O-N 3.04Å
99	E	86.9	Confident	85.4	Confident	40 Å²	40	66.6 Å²	66.6	19%	0.187	34%	0.341	C	S	.	.	S	Bend	trans	-97.1	109	178.2	-59.6	-62.8	137.4	0	0	109.9	R69 T75 K78 Y79 I95 L96	R69-E99 VanDerWaalsContact CZ-O 3.32Å; R69-E99 PolarHBondContact NE-O 3.49Å; R69-E99 PolarHBondContact NH2-O 2.91Å; T75-E99 HydrophobicContact CG2-CG 3.99Å; T75-E99 WeakPolarHBondContact CG2-OE2 3.4Å; K78-E99 IonicContact NZ-OE1 3.91Å; K78-E99 PolarHBondContact NZ-OE1 2.74Å; Y79-E99 HydrophobicContact CE2-CG 3.76Å; Y79-E99 WeakPolarHBondContact CE2-OE1 3.5Å; Y79-E99 PolarHBondContact OH-OE1 3.3Å; I95-E99 HydrophobicContact CG2-CG 4.3Å; I95-E99 PolarHBondContact O-N 2.86Å; L96-E99 VanDerWaalsContact O-O 3.08Å
100	K	80.6	Confident	86.3	Confident	179 Å²	179	67.5 Å²	67.5	78%	0.778	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-79	158.6	-179.8	-63.1	-170.3	177.6	-170.4	0	112
101	T	81.7	Confident	86.9	Confident	76 Å²	76	64.3 Å²	64.3	47%	0.466	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-66.2	146.5	165.7	40.8	0	0	0	0	110.2
102	S	83.8	Confident	86.9	Confident	52 Å²	52	62.6 Å²	62.6	36%	0.364	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-82.3	131.5	166.5	-54.1	0	0	0	0	109.5
103	T	86.5	Confident	86.8	Confident	64 Å²	64	70.1 Å²	70.1	39%	0.393	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-85.4	156	176.2	62.6	0	0	0	0	111.6	A105 E106 L107	T103-A105 PolarHBondContact O-N 2.9Å; T103-E106 WeakPolarHBondContact CB-OE2 3.39Å; T103-E106 PolarHBondContact N-OE2 3.43Å; T103-E106 PolarHBondContact O-N 3.5Å; T103-E106 VanDerWaalsContact O-N 3.08Å; T103-E106 VanDerWaalsContact OG1-CD 3.28Å; T103-E106 VanDerWaalsContact OG1-CG 3.27Å; T103-E106 WeakPolarHBondContact OG1-CG 2.95Å; T103-E106 PolarHBondContact OG1-N 3Å; T103-E106 PolarHBondContact OG1-OE2 2.94Å; T103-L107 WeakPolarHBondContact O-CG 3.31Å; T103-L107 PolarHBondContact O-N 2.8Å; T103-L107 VanDerWaalsContact O-N 3.09Å
104	K	88.3	Confident	87	Confident	69 Å²	69	71.4 Å²	71.4	30%	0.3	37%	0.372	S	S	.	.	H	α-helix	trans	-51.8	-41.5	173.4	-169.5	179.3	-179.6	178.6	0	111.7	E106 L107 L108 C164 D165 M168	K104-E106 PolarHBondContact O-N 2.9Å; K104-L107 PolarHBondContact O-N 2.98Å; K104-L108 HydrophobicContact CD-CD1 4.46Å; K104-L108 HydrophobicContact CG-CD1 4.01Å; K104-L108 HydrophobicContact CG-CG 4.23Å; K104-L108 WeakPolarHBondContact O-CB 3.5Å; K104-L108 VanDerWaalsContact O-CG 3.25Å; K104-L108 WeakPolarHBondContact O-CG 3.12Å; K104-L108 PolarHBondContact O-N 2.82Å; K104-C164 HydrophobicContact CG-CB 4.17Å; K104-D165 VanDerWaalsContact CE-OD1 3.3Å; K104-D165 WeakPolarHBondContact CE-OD1 3.31Å; K104-D165 IonicContact NZ-OD1 3.74Å; K104-D165 PolarHBondContact NZ-OD1 2.98Å; K104-D165 IonicContact NZ-OD2 2.6Å; K104-D165 PolarHBondContact NZ-OD2 3.34Å; K104-M168 HydrophobicContact CB-CG 4.02Å; K104-M168 HydrophobicContact CB-SD 4.32Å; K104-M168 HydrophobicContact CG-CG 4.47Å
105	A	88.5	Confident	87	Confident	69 Å²	69	68.6 Å²	68.6	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-63.6	-39.3	179.5	0	0	0	0	0	113.1	T103 K109	T103-A105 PolarHBondContact O-N 2.9Å; A105-K109 WeakPolarHBondContact O-CB 2.91Å; A105-K109 PolarHBondContact O-N 2.84Å
106	E	88.1	Confident	86.6	Confident	111 Å²	111	75.4 Å²	75.4	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-68.9	-39.1	176	-71.7	163.5	134.1	0	0	112.1	T103 K104 K109 A110	T103-E106 WeakPolarHBondContact CB-OE2 3.39Å; T103-E106 PolarHBondContact N-OE2 3.43Å; T103-E106 PolarHBondContact O-N 3.5Å; T103-E106 VanDerWaalsContact O-N 3.08Å; T103-E106 VanDerWaalsContact OG1-CD 3.28Å; T103-E106 VanDerWaalsContact OG1-CG 3.27Å; T103-E106 WeakPolarHBondContact OG1-CG 2.95Å; T103-E106 PolarHBondContact OG1-N 3Å; T103-E106 PolarHBondContact OG1-OE2 2.94Å; K104-E106 PolarHBondContact O-N 2.9Å; E106-K109 PolarHBondContact O-N 3.11Å; E106-A110 WeakPolarHBondContact O-CB 3.48Å; E106-A110 PolarHBondContact O-N 3.45Å
107	L	87.7	Confident	86.4	Confident	31 Å²	31	81 Å²	81	16%	0.162	42%	0.42	C	S	.	.	H	α-helix	trans	-65.5	-49.5	176	-64	171.2	0	0	0	111.2	T103 K104 K109 A110 F111 C164 Y167 M168	T103-L107 WeakPolarHBondContact O-CG 3.31Å; T103-L107 PolarHBondContact O-N 2.8Å; T103-L107 VanDerWaalsContact O-N 3.09Å; K104-L107 PolarHBondContact O-N 2.98Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.46Å; L107-A110 WeakPolarHBondContact O-CA 3.17Å; L107-A110 WeakPolarHBondContact O-CB 3.19Å; L107-A110 PolarHBondContact O-N 2.94Å; L107-F111 VanDerWaalsContact O-CD2 3.25Å; L107-F111 WeakPolarHBondContact O-CD2 3.29Å; L107-F111 PolarHBondContact O-N 2.87Å; L107-C164 VanDerWaalsContact CB-SG 3.57Å; L107-Y167 HydrophobicContact CD1-CD1 3.41Å; L107-Y167 VanDerWaalsContact CD1-CD1 3.41Å; L107-Y167 HydrophobicContact CD1-CE1 3.78Å; L107-Y167 HydrophobicContact CD1-CG 4.13Å; L107-M168 HydrophobicContact CD1-SD 4.41Å
108	L	89.3	Confident	86.3	Confident	48 Å²	48	82 Å²	82	25%	0.251	43%	0.431	S	S	.	.	H	α-helix	trans	-57.7	-41.1	174.3	-68.8	175.5	0	0	0	111.6	K104 A110 F111 G112 Y160 N161 C164	K104-L108 HydrophobicContact CD-CD1 4.46Å; K104-L108 HydrophobicContact CG-CD1 4.01Å; K104-L108 HydrophobicContact CG-CG 4.23Å; K104-L108 WeakPolarHBondContact O-CB 3.5Å; K104-L108 VanDerWaalsContact O-CG 3.25Å; K104-L108 WeakPolarHBondContact O-CG 3.12Å; K104-L108 PolarHBondContact O-N 2.82Å; L108-A110 VanDerWaalsContact C-N 3.29Å; L108-A110 PolarHBondContact O-N 2.82Å; L108-F111 PolarHBondContact O-N 3.36Å; L108-G112 PolarHBondContact O-N 3.41Å; L108-Y160 HydrophobicContact CD2-CD2 3.81Å; L108-Y160 HydrophobicContact CD2-CE2 3.74Å; L108-N161 VanDerWaalsContact CD2-OD1 3.27Å; L108-N161 WeakPolarHBondContact CD2-OD1 3.09Å; L108-C164 HydrophobicContact CD2-CB 4.16Å
109	K	89.1	Confident	86.3	Confident	151 Å²	151	77.9 Å²	77.9	66%	0.657	42%	0.418	S	S	*	.	H	α-helix	trans	-68.7	-23.8	175.3	-174.5	175.3	-177	176.4	0	113.4	A105 E106 L107 K113	A105-K109 WeakPolarHBondContact O-CB 2.91Å; A105-K109 PolarHBondContact O-N 2.84Å; E106-K109 PolarHBondContact O-N 3.11Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.46Å; K109-K113 WeakPolarHBondContact O-CG 3.34Å
110	A	87.4	Confident	86.3	Confident	51 Å²	51	76.4 Å²	76.4	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-76.5	-44.4	172.2	0	0	0	0	0	111	E106 L107 L108 K113	E106-A110 WeakPolarHBondContact O-CB 3.48Å; E106-A110 PolarHBondContact O-N 3.45Å; L107-A110 WeakPolarHBondContact O-CA 3.17Å; L107-A110 WeakPolarHBondContact O-CB 3.19Å; L107-A110 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact C-N 3.29Å; L108-A110 PolarHBondContact O-N 2.82Å; A110-K113 WeakPolarHBondContact O-CB 3.31Å; A110-K113 PolarHBondContact O-N 2.99Å
111	F	88.6	Confident	86.8	Confident	33 Å²	33	72.2 Å²	72.2	15%	0.145	39%	0.394	C	S	.	.	H	α-helix	trans	-68.4	-36.9	175.9	-72.8	-66.1	0	0	0	113.2	L107 L108 K113 I114 D115 I122 L158 Y160 F163	L107-F111 VanDerWaalsContact O-CD2 3.25Å; L107-F111 WeakPolarHBondContact O-CD2 3.29Å; L107-F111 PolarHBondContact O-N 2.87Å; L108-F111 PolarHBondContact O-N 3.36Å; F111-K113 PolarHBondContact O-N 2.93Å; F111-K113 VanDerWaalsContact O-N 3.08Å; F111-I114 HydrophobicContact CD1-CD1 4.41Å; F111-I114 WeakPolarHBondContact O-CA 3.4Å; F111-I114 VanDerWaalsContact O-CB 3.31Å; F111-I114 WeakPolarHBondContact O-CB 3.48Å; F111-I114 PolarHBondContact O-N 2.65Å; F111-D115 PolarHBondContact O-N 2.82Å; F111-I122 HydrophobicContact CB-CD1 4.29Å; F111-I122 HydrophobicContact CD1-CD1 3.51Å; F111-I122 HydrophobicContact CE1-CD1 4.28Å; F111-I122 HydrophobicContact CG-CD1 4.32Å; F111-L158 HydrophobicContact CE1-CD2 4.28Å; F111-Y160 HydrophobicContact CB-CD1 4.06Å; F111-Y160 HydrophobicContact CB-CD2 3.41Å; F111-Y160 VanDerWaalsContact CB-CD2 3.41Å; F111-Y160 HydrophobicContact CB-CE1 4.42Å; F111-Y160 HydrophobicContact CB-CE2 3.85Å; F111-Y160 HydrophobicContact CB-CG 3.54Å; F111-Y160 HydrophobicContact CD1-CG 4.37Å; F111-Y160 HydrophobicContact CD2-CD2 4.05Å; F111-Y160 HydrophobicContact CD2-CG 4.23Å; F111-Y160 AromaticContact CG-CD2 3.91Å; F111-Y160 HydrophobicContact CG-CD2 3.91Å; F111-Y160 AromaticContact CG-CG 3.82Å; F111-Y160 HydrophobicContact CG-CG 3.82Å; F111-F163 AromaticContact CE2-CD1 3.74Å; F111-F163 HydrophobicContact CE2-CD1 3.74Å; F111-F163 HydrophobicContact CE2-CE1 4.1Å; F111-F163 AromaticContact CZ-CD1 3.68Å; F111-F163 HydrophobicContact CZ-CD1 3.68Å; F111-F163 AromaticContact CZ-CE1 3.84Å; F111-F163 HydrophobicContact CZ-CE1 3.84Å
112	G	87.4	Confident	87.2	Confident	28 Å²	28	68.6 Å²	68.6	29%	0.289	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.3	173.6	0	0	0	0	0	115.2	L108	L108-G112 PolarHBondContact O-N 3.41Å
113	K	86.4	Confident	87.5	Confident	157 Å²	157	70.3 Å²	70.3	68%	0.683	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.1	166.5	-67.5	170.9	-178	178.7	0	113.1	K109 A110 F111	K109-K113 WeakPolarHBondContact O-CG 3.34Å; A110-K113 WeakPolarHBondContact O-CB 3.31Å; A110-K113 PolarHBondContact O-N 2.99Å; F111-K113 PolarHBondContact O-N 2.93Å; F111-K113 VanDerWaalsContact O-N 3.08Å
114	I	84.9	Confident	87.6	Confident	29 Å²	29	69.1 Å²	69.1	15%	0.149	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-49.2	177.1	-59.3	169.4	0	0	0	108.3	F111 L116 I122 E126 I130	F111-I114 HydrophobicContact CD1-CD1 4.41Å; F111-I114 WeakPolarHBondContact O-CA 3.4Å; F111-I114 VanDerWaalsContact O-CB 3.31Å; F111-I114 WeakPolarHBondContact O-CB 3.48Å; F111-I114 PolarHBondContact O-N 2.65Å; I114-L116 VanDerWaalsContact C-N 3.31Å; I114-L116 PolarHBondContact O-N 3.16Å; I114-I122 HydrophobicContact CB-CD1 4.03Å; I114-I122 HydrophobicContact CD1-CD1 4.4Å; I114-I122 HydrophobicContact CG2-CD1 3.83Å; I114-I122 HydrophobicContact CG2-CG1 4.05Å; I114-I122 HydrophobicContact CG2-CG2 4.01Å; I114-E126 HydrophobicContact CG2-CG 4.27Å; I114-I130 HydrophobicContact CB-CD1 4.22Å; I114-I130 HydrophobicContact CD1-CD1 4.02Å; I114-I130 HydrophobicContact CD1-CG2 4.35Å; I114-I130 HydrophobicContact CG1-CD1 3.95Å; I114-I130 HydrophobicContact CG2-CD1 3.3Å
115	D	88	Confident	87.5	Confident	4 Å²	4	72.3 Å²	72.3	2%	0.021	39%	0.386	C	S	.	.			trans	-73.5	76.9	177.5	-174.3	36.7	0	0	0	111.7	F111 D117 N118 S119 G120 I122 Y160	F111-D115 PolarHBondContact O-N 2.82Å; D115-D117 VanDerWaalsContact C-N 3.27Å; D115-D117 PolarHBondContact O-N 3.5Å; D115-N118 PolarHBondContact O-N 3.32Å; D115-N118 VanDerWaalsContact O-N 3.08Å; D115-N118 WeakPolarHBondContact OD2-CA 3.27Å; D115-S119 PolarHBondContact OD1-N 3.34Å; D115-S119 PolarHBondContact OD1-OG 3.39Å; D115-S119 PolarHBondContact OD2-N 3.35Å; D115-G120 PolarHBondContact OD2-N 2.99Å; D115-I122 HydrophobicContact CB-CG1 4.34Å; D115-Y160 HydrophobicContact CB-CE1 3.77Å; D115-Y160 WeakPolarHBondContact OD2-CE1 3.22Å; D115-Y160 PolarHBondContact OD2-OH 2.86Å
116	L	82	Confident	87.4	Confident	151 Å²	151	72.8 Å²	72.8	79%	0.791	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.6	-172.8	-67.7	178.2	0	0	0	114.2	I114	I114-L116 VanDerWaalsContact C-N 3.31Å; I114-L116 PolarHBondContact O-N 3.16Å
117	D	85.1	Confident	87.3	Confident	125 Å²	125	67.9 Å²	67.9	67%	0.668	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.4	176.8	68.8	-1.9	0	0	0	113.1	D115 S119	D115-D117 VanDerWaalsContact C-N 3.27Å; D115-D117 PolarHBondContact O-N 3.5Å; D117-S119 PolarHBondContact O-N 3.36Å; D117-S119 WeakPolarHBondContact OD1-CB 3.31Å; D117-S119 PolarHBondContact OD1-N 2.67Å; D117-S119 PolarHBondContact OD1-OG 3.28Å
118	N	84.6	Confident	87.2	Confident	121 Å²	121	71.1 Å²	71.1	65%	0.647	37%	0.365	S	S	*	.			trans	53.9	33.7	-174.1	-59.4	-96.2	0	0	0	112.9	D115 G120	D115-N118 PolarHBondContact O-N 3.32Å; D115-N118 VanDerWaalsContact O-N 3.08Å; D115-N118 WeakPolarHBondContact OD2-CA 3.27Å; N118-G120 PolarHBondContact O-N 3.43Å
119	S	87.4	Confident	86.9	Confident	46 Å²	46	75.9 Å²	75.9	32%	0.322	38%	0.383	S	S	.	.			trans	-62.8	-20.9	178.4	67.9	0	0	0	0	114.2	D115 D117 Y121	D115-S119 PolarHBondContact OD1-N 3.34Å; D115-S119 PolarHBondContact OD1-OG 3.39Å; D115-S119 PolarHBondContact OD2-N 3.35Å; D117-S119 PolarHBondContact O-N 3.36Å; D117-S119 WeakPolarHBondContact OD1-CB 3.31Å; D117-S119 PolarHBondContact OD1-N 2.67Å; D117-S119 PolarHBondContact OD1-OG 3.28Å; S119-Y121 VanDerWaalsContact C-N 3.33Å; S119-Y121 WeakPolarHBondContact O-CD2 3.37Å; S119-Y121 WeakPolarHBondContact O-CE2 3.32Å; S119-Y121 PolarHBondContact OG-N 3.4Å; S119-Y121 VanDerWaalsContact OG-N 3.1Å; S119-Y121 PolarHBondContact OG-O 3.36Å; S119-Y121 VanDerWaalsContact OG-O 3.05Å
120	G	87.1	Confident	86.6	Confident	9 Å²	9	70.1 Å²	70.1	9%	0.093	36%	0.36	C	S	.	.	S	Bend	trans	85.8	3.4	-168.4	0	0	0	0	0	113.7	D115 N118 Y160	D115-G120 PolarHBondContact OD2-N 2.99Å; N118-G120 PolarHBondContact O-N 3.43Å; G120-Y160 VanDerWaalsContact CA-CE1 3.45Å; G120-Y160 WeakPolarHBondContact O-CD1 3.4Å; G120-Y160 WeakPolarHBondContact O-CE1 3.46Å
121	Y	91.1	Very high	86.4	Confident	92 Å²	92	69.7 Å²	69.7	36%	0.361	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.2	-172.1	-59.8	-82.2	0	0	0	113.2	S119 K157 L158 D159	S119-Y121 VanDerWaalsContact C-N 3.33Å; S119-Y121 WeakPolarHBondContact O-CD2 3.37Å; S119-Y121 WeakPolarHBondContact O-CE2 3.32Å; S119-Y121 PolarHBondContact OG-N 3.4Å; S119-Y121 VanDerWaalsContact OG-N 3.1Å; S119-Y121 PolarHBondContact OG-O 3.36Å; S119-Y121 VanDerWaalsContact OG-O 3.05Å; Y121-K157 HydrophobicContact CD1-CB 4.37Å; Y121-K157 HydrophobicContact CG-CD 4.37Å; Y121-L158 CarbonylContact C-O 3.38Å; Y121-L158 VanDerWaalsContact CA-O 3.24Å; Y121-L158 WeakPolarHBondContact CA-O 3.27Å; Y121-D159 HydrophobicContact CD1-CB 3.96Å; Y121-D159 HydrophobicContact CE1-CB 3.73Å
122	I	89.8	Confident	86.1	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.9	174.1	-62.5	165.9	0	0	0	109.5	F111 I114 D115 E126 L127 K157 L158 Y160	F111-I122 HydrophobicContact CB-CD1 4.29Å; F111-I122 HydrophobicContact CD1-CD1 3.51Å; F111-I122 HydrophobicContact CE1-CD1 4.28Å; F111-I122 HydrophobicContact CG-CD1 4.32Å; I114-I122 HydrophobicContact CB-CD1 4.03Å; I114-I122 HydrophobicContact CD1-CD1 4.4Å; I114-I122 HydrophobicContact CG2-CD1 3.83Å; I114-I122 HydrophobicContact CG2-CG1 4.05Å; I114-I122 HydrophobicContact CG2-CG2 4.01Å; D115-I122 HydrophobicContact CB-CG1 4.34Å; I122-E126 HydrophobicContact CG2-CB 4.35Å; I122-E126 HydrophobicContact CG2-CG 4.31Å; I122-L127 HydrophobicContact CG2-CB 4.01Å; I122-K157 CarbonylContact O-C 3.56Å; I122-K157 WeakPolarHBondContact O-CA 3.35Å; I122-L158 HydrophobicContact CB-CB 4.42Å; I122-L158 PolarHBondContact N-O 2.95Å; I122-L158 PolarHBondContact O-N 2.69Å; I122-Y160 HydrophobicContact CD1-CD1 4.09Å; I122-Y160 HydrophobicContact CG1-CD1 4.09Å
123	L	90.2	Very high	85.5	Confident	87 Å²	87	72.2 Å²	72.2	46%	0.455	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	140.4	176.5	-62.6	176.9	0	0	0	110.7	D125 E126 L127 K157	L123-D125 VanDerWaalsContact C-N 3.27Å; L123-D125 PolarHBondContact O-N 3.23Å; L123-E126 HydrophobicContact CB-CB 4.24Å; L123-E126 PolarHBondContact O-N 3.23Å; L123-L127 PolarHBondContact O-N 3.02Å; L123-K157 HydrophobicContact CD2-CD 3.95Å; L123-K157 HydrophobicContact CD2-CG 3.99Å
124	H	89.7	Confident	84.5	Confident	39 Å²	39	72.4 Å²	72.4	18%	0.181	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-37.4	179.8	-75.3	-176.3	0	0	0	113.2	E126 L127 Y128 T147 N153 G156 K157	H124-E126 VanDerWaalsContact C-N 3.33Å; H124-E126 PolarHBondContact O-N 3.45Å; H124-L127 PolarHBondContact O-N 3.28Å; H124-Y128 WeakPolarHBondContact O-CB 3.45Å; H124-Y128 PolarHBondContact O-N 3.28Å; H124-T147 HydrophobicContact CB-CG2 4.18Å; H124-T147 PolarHBondContact CE1-O 3.19Å; H124-N153 PolarHBondContact NE2-OD1 3.21Å; H124-G156 WeakPolarHBondContact CB-O 3.47Å; H124-G156 PolarHBondContact CD2-O 2.63Å; H124-G156 VanDerWaalsContact CG-O 3.22Å; H124-G156 PolarHBondContact N-O 2.73Å; H124-K157 PolarHBondContact NE2-O 3.3Å
125	D	86.2	Confident	83.6	Confident	136 Å²	136	77.2 Å²	77.2	73%	0.727	39%	0.394	S	S	*	.	H	α-helix	trans	-64.5	-35.9	175.9	-63.7	-25.3	0	0	0	112.8	L123 K129	L123-D125 VanDerWaalsContact C-N 3.27Å; L123-D125 PolarHBondContact O-N 3.23Å; D125-K129 WeakPolarHBondContact O-CB 3.25Å; D125-K129 PolarHBondContact O-N 2.84Å
126	E	85.6	Confident	83.1	Confident	79 Å²	79	81.3 Å²	81.3	37%	0.369	41%	0.413	S	S	.	.	H	α-helix	trans	-75.5	-44.4	178	177.5	161.8	-142.8	0	0	111.4	I114 I122 L123 H124 Y128 K129 I130	I114-E126 HydrophobicContact CG2-CG 4.27Å; I122-E126 HydrophobicContact CG2-CB 4.35Å; I122-E126 HydrophobicContact CG2-CG 4.31Å; L123-E126 HydrophobicContact CB-CB 4.24Å; L123-E126 PolarHBondContact O-N 3.23Å; H124-E126 VanDerWaalsContact C-N 3.33Å; H124-E126 PolarHBondContact O-N 3.45Å; E126-Y128 VanDerWaalsContact C-N 3.29Å; E126-Y128 PolarHBondContact O-N 2.97Å; E126-K129 PolarHBondContact O-N 2.67Å; E126-I130 HydrophobicContact CG-CD1 3.79Å; E126-I130 WeakPolarHBondContact O-CB 3.39Å; E126-I130 VanDerWaalsContact O-CG1 3.29Å; E126-I130 WeakPolarHBondContact O-CG1 3.41Å; E126-I130 PolarHBondContact O-N 3.33Å
127	L	84.9	Confident	83	Confident	9 Å²	9	81 Å²	81	5%	0.047	41%	0.405	C	S	.	.	H	α-helix	trans	-55.2	-47.1	171.9	-177.4	66.2	0	0	0	110.8	I122 L123 H124 I130 L131 T147 L158	I122-L127 HydrophobicContact CG2-CB 4.01Å; L123-L127 PolarHBondContact O-N 3.02Å; H124-L127 PolarHBondContact O-N 3.28Å; L127-I130 PolarHBondContact O-N 3.25Å; L127-L131 HydrophobicContact CD1-CD1 3.78Å; L127-L131 HydrophobicContact CD1-CG 4.11Å; L127-L131 HydrophobicContact CG-CD1 3.82Å; L127-L131 HydrophobicContact CG-CG 4.4Å; L127-L131 WeakPolarHBondContact O-CB 3.24Å; L127-L131 WeakPolarHBondContact O-CG 3.41Å; L127-L131 PolarHBondContact O-N 3.34Å; L127-T147 HydrophobicContact CD2-CG2 4.06Å; L127-L158 HydrophobicContact CD1-CD2 3.74Å; L127-L158 HydrophobicContact CD2-CB 4.14Å; L127-L158 HydrophobicContact CD2-CD2 3.75Å; L127-L158 HydrophobicContact CD2-CG 4.5Å; L127-L158 HydrophobicContact CG-CD2 4.35Å
128	Y	85.9	Confident	82.8	Confident	98 Å²	98	78.5 Å²	78.5	38%	0.384	39%	0.39	S	S	.	.	H	α-helix	trans	-59.5	-49.8	176	175.6	-84.9	0	0	0	111.9	H124 E126 I130 L131 T132 L140 V143	H124-Y128 WeakPolarHBondContact O-CB 3.45Å; H124-Y128 PolarHBondContact O-N 3.28Å; E126-Y128 VanDerWaalsContact C-N 3.29Å; E126-Y128 PolarHBondContact O-N 2.97Å; Y128-I130 VanDerWaalsContact C-N 3.25Å; Y128-I130 PolarHBondContact O-N 3.19Å; Y128-L131 PolarHBondContact O-N 2.64Å; Y128-T132 HydrophobicContact CD2-CG2 4.36Å; Y128-T132 HydrophobicContact CE1-CG2 4.48Å; Y128-T132 HydrophobicContact CE2-CG2 4.35Å; Y128-T132 HydrophobicContact CG-CG2 4.46Å; Y128-T132 WeakPolarHBondContact O-CB 3.4Å; Y128-T132 VanDerWaalsContact O-CG2 3.29Å; Y128-T132 WeakPolarHBondContact O-CG2 3.36Å; Y128-T132 PolarHBondContact O-N 3.46Å; Y128-T132 PolarHBondContact O-OG1 3.42Å; Y128-L140 HydrophobicContact CE2-CB 4.24Å; Y128-L140 HydrophobicContact CE2-CD2 3.8Å; Y128-L140 HydrophobicContact CE2-CG 4.45Å; Y128-L140 WeakPolarHBondContact OH-CD1 3.24Å; Y128-L140 VanDerWaalsContact OH-CD2 3.23Å; Y128-L140 WeakPolarHBondContact OH-CD2 3.48Å; Y128-V143 HydrophobicContact CD2-CB 4.27Å; Y128-V143 HydrophobicContact CD2-CG1 3.87Å; Y128-V143 HydrophobicContact CG-CG1 4.4Å
129	K	83.7	Confident	82.9	Confident	148 Å²	148	76.4 Å²	76.4	64%	0.643	38%	0.382	S	S	*	.	H	α-helix	trans	-57.6	-39.3	176.7	-173.4	178	-177.3	179.9	0	111.7	D125 E126 T133	D125-K129 WeakPolarHBondContact O-CB 3.25Å; D125-K129 PolarHBondContact O-N 2.84Å; E126-K129 PolarHBondContact O-N 2.67Å; K129-T133 WeakPolarHBondContact O-CB 3.27Å; K129-T133 PolarHBondContact O-N 3.02Å; K129-T133 PolarHBondContact O-OG1 3.33Å
130	I	83.6	Confident	82.6	Confident	30 Å²	30	78.6 Å²	78.6	15%	0.154	39%	0.39	C	S	.	.	H	α-helix	trans	-71.8	-52.3	-179.1	-70.7	166.2	0	0	0	111.4	I114 E126 L127 Y128 T132 T133 R134	I114-I130 HydrophobicContact CB-CD1 4.22Å; I114-I130 HydrophobicContact CD1-CD1 4.02Å; I114-I130 HydrophobicContact CD1-CG2 4.35Å; I114-I130 HydrophobicContact CG1-CD1 3.95Å; I114-I130 HydrophobicContact CG2-CD1 3.3Å; E126-I130 HydrophobicContact CG-CD1 3.79Å; E126-I130 WeakPolarHBondContact O-CB 3.39Å; E126-I130 VanDerWaalsContact O-CG1 3.29Å; E126-I130 WeakPolarHBondContact O-CG1 3.41Å; E126-I130 PolarHBondContact O-N 3.33Å; L127-I130 PolarHBondContact O-N 3.25Å; Y128-I130 VanDerWaalsContact C-N 3.25Å; Y128-I130 PolarHBondContact O-N 3.19Å; I130-T132 VanDerWaalsContact C-N 3.32Å; I130-T132 PolarHBondContact O-N 3Å; I130-T133 PolarHBondContact O-N 3.25Å; I130-R134 PolarHBondContact O-N 2.86Å
131	L	82.1	Confident	82.6	Confident	43 Å²	43	84.5 Å²	84.5	23%	0.225	42%	0.419	C	S	.	.	H	α-helix	trans	-68.4	-26.5	-176.1	-66	177.9	0	0	0	113.6	L127 Y128 K137 M138 V143 I146	L127-L131 HydrophobicContact CD1-CD1 3.78Å; L127-L131 HydrophobicContact CD1-CG 4.11Å; L127-L131 HydrophobicContact CG-CD1 3.82Å; L127-L131 HydrophobicContact CG-CG 4.4Å; L127-L131 WeakPolarHBondContact O-CB 3.24Å; L127-L131 WeakPolarHBondContact O-CG 3.41Å; L127-L131 PolarHBondContact O-N 3.34Å; Y128-L131 PolarHBondContact O-N 2.64Å; L131-K137 WeakPolarHBondContact O-CA 3.46Å; L131-M138 HydrophobicContact CB-CB 4.5Å; L131-M138 HydrophobicContact CB-SD 4.28Å; L131-M138 HydrophobicContact CD1-SD 4.02Å; L131-M138 HydrophobicContact CD2-SD 4.19Å; L131-M138 HydrophobicContact CG-SD 4.4Å; L131-M138 PolarHBondContact O-N 3.34Å; L131-V143 HydrophobicContact CB-CG2 3.82Å; L131-V143 HydrophobicContact CD1-CG1 4.45Å; L131-V143 HydrophobicContact CD1-CG2 4.09Å; L131-I146 HydrophobicContact CD1-CD1 4.41Å
132	T	81.8	Confident	82.3	Confident	26 Å²	26	84.9 Å²	84.9	16%	0.16	42%	0.424	C	S	.	.	H	α-helix	trans	-89.6	-20.9	176.8	59.2	0	0	0	0	113.6	Y128 I130 K137 L140 V143	Y128-T132 HydrophobicContact CD2-CG2 4.36Å; Y128-T132 HydrophobicContact CE1-CG2 4.48Å; Y128-T132 HydrophobicContact CE2-CG2 4.35Å; Y128-T132 HydrophobicContact CG-CG2 4.46Å; Y128-T132 WeakPolarHBondContact O-CB 3.4Å; Y128-T132 VanDerWaalsContact O-CG2 3.29Å; Y128-T132 WeakPolarHBondContact O-CG2 3.36Å; Y128-T132 PolarHBondContact O-N 3.46Å; Y128-T132 PolarHBondContact O-OG1 3.42Å; I130-T132 VanDerWaalsContact C-N 3.32Å; I130-T132 PolarHBondContact O-N 3Å; T132-K137 VanDerWaalsContact O-CD 3.25Å; T132-K137 WeakPolarHBondContact O-CD 3.47Å; T132-K137 WeakPolarHBondContact O-CG 3.24Å; T132-L140 HydrophobicContact CG2-CD2 3.79Å; T132-V143 HydrophobicContact CG2-CG2 4.26Å
133	T	74.8	Confident	82	Confident	87 Å²	87	85 Å²	85	53%	0.534	43%	0.425	S	S	.	.	H	α-helix	trans	-104.2	-32.6	-173.9	-51.5	0	0	0	0	113.7	K129 I130	K129-T133 WeakPolarHBondContact O-CB 3.27Å; K129-T133 PolarHBondContact O-N 3.02Å; K129-T133 PolarHBondContact O-OG1 3.33Å; I130-T133 PolarHBondContact O-N 3.25Å
134	R	66.2	Low	81.8	Confident	162 Å²	162	82.8 Å²	82.8	61%	0.611	42%	0.416	S	S	*	.	S	Bend	trans	-106.9	144.2	-171.3	-64.4	-175.7	173.7	175.3	-0.3	112.8	I130 E136	I130-R134 PolarHBondContact O-N 2.86Å; R134-E136 PolarHBondContact O-N 2.95Å
135	C	66.5	Low	81.6	Confident	130 Å²	130	83.5 Å²	83.5	88%	0.878	43%	0.429	S	S	*	.	S	Bend	trans	53.1	-127.6	172.6	-62.3	0	0	0	0	114.2	K137	C135-K137 PolarHBondContact O-N 3.1Å; C135-K137 VanDerWaalsContact O-N 3.15Å
136	E	77.9	Confident	81.5	Confident	89 Å²	89	79.1 Å²	79.1	42%	0.416	41%	0.405	S	S	.	.	S	Bend	trans	-79.9	93.1	178.7	-69.7	176.2	-167.9	0	0	108.2	S72 Q73 K74 R134 M138	S72-E136 WeakPolarHBondContact CB-OE1 3.3Å; Q73-E136 WeakPolarHBondContact CA-OE1 3.42Å; Q73-E136 HydrophobicContact CB-CG 4.48Å; Q73-E136 WeakPolarHBondContact CB-OE1 3.45Å; Q73-E136 VanDerWaalsContact N-CD 3.26Å; Q73-E136 PolarHBondContact N-OE1 3.43Å; Q73-E136 PolarHBondContact N-OE2 3.34Å; K74-E136 PolarHBondContact N-OE1 3.36Å; R134-E136 PolarHBondContact O-N 2.95Å; E136-M138 PolarHBondContact O-N 3.08Å
137	K	79.3	Confident	81.4	Confident	145 Å²	145	76.7 Å²	76.7	63%	0.63	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-64.3	126.8	-172.1	-61.9	-179.2	173.2	-171.3	0	111.3	L131 T132 C135	L131-K137 WeakPolarHBondContact O-CA 3.46Å; T132-K137 VanDerWaalsContact O-CD 3.25Å; T132-K137 WeakPolarHBondContact O-CD 3.47Å; T132-K137 WeakPolarHBondContact O-CG 3.24Å; C135-K137 PolarHBondContact O-N 3.1Å; C135-K137 VanDerWaalsContact O-N 3.15Å
138	M	81.4	Confident	81.4	Confident	73 Å²	73	83.7 Å²	83.7	36%	0.36	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-82	149.6	167.3	-66.9	177.1	177	0	0	110.5	L131 E136 E142 V143 I146	L131-M138 HydrophobicContact CB-CB 4.5Å; L131-M138 HydrophobicContact CB-SD 4.28Å; L131-M138 HydrophobicContact CD1-SD 4.02Å; L131-M138 HydrophobicContact CD2-SD 4.19Å; L131-M138 HydrophobicContact CG-SD 4.4Å; L131-M138 PolarHBondContact O-N 3.34Å; E136-M138 PolarHBondContact O-N 3.08Å; M138-E142 HydrophobicContact CB-CB 4.22Å; M138-V143 HydrophobicContact CB-CG2 3.8Å; M138-I146 HydrophobicContact CE-CD1 4.32Å; M138-I146 HydrophobicContact SD-CD1 3.66Å
139	T	85.9	Confident	81.3	Confident	76 Å²	76	82.9 Å²	82.9	47%	0.466	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-71.1	163.8	168.8	63	0	0	0	0	111.2	D141 E142 V143	T139-D141 PolarHBondContact O-N 2.74Å; T139-E142 WeakPolarHBondContact CB-OE2 3.14Å; T139-E142 WeakPolarHBondContact CG2-OE2 3.4Å; T139-E142 PolarHBondContact N-OE2 3.27Å; T139-E142 PolarHBondContact O-N 2.74Å; T139-E142 VanDerWaalsContact OG1-CD 3.23Å; T139-E142 VanDerWaalsContact OG1-CG 3.25Å; T139-E142 WeakPolarHBondContact OG1-CG 3.43Å; T139-E142 PolarHBondContact OG1-N 3.46Å; T139-E142 PolarHBondContact OG1-OE2 2.74Å; T139-V143 PolarHBondContact O-N 3.15Å; T139-V143 VanDerWaalsContact O-N 3.15Å
140	L	81.9	Confident	81.2	Confident	93 Å²	93	80 Å²	80	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-64.6	-34.8	-178.7	-45.6	-168.8	0	0	0	111.2	Y128 T132 S144	Y128-L140 HydrophobicContact CE2-CB 4.24Å; Y128-L140 HydrophobicContact CE2-CD2 3.8Å; Y128-L140 HydrophobicContact CE2-CG 4.45Å; Y128-L140 WeakPolarHBondContact OH-CD1 3.24Å; Y128-L140 VanDerWaalsContact OH-CD2 3.23Å; Y128-L140 WeakPolarHBondContact OH-CD2 3.48Å; T132-L140 HydrophobicContact CG2-CD2 3.79Å; L140-S144 VanDerWaalsContact O-CB 3.24Å; L140-S144 WeakPolarHBondContact O-CB 3.35Å; L140-S144 PolarHBondContact O-N 3.39Å
141	D	85.8	Confident	81.1	Confident	133 Å²	133	83.6 Å²	83.6	71%	0.711	45%	0.451	S	S	*	.	H	α-helix	trans	-71.1	-38.2	179.3	-61.4	-44	0	0	0	112.1	T139 S144 A145	T139-D141 PolarHBondContact O-N 2.74Å; D141-S144 WeakPolarHBondContact O-CB 3.2Å; D141-S144 PolarHBondContact O-N 3.38Å; D141-A145 WeakPolarHBondContact O-CB 3.47Å; D141-A145 PolarHBondContact O-N 3.04Å
142	E	84.9	Confident	81.2	Confident	100 Å²	100	82 Å²	82	47%	0.467	44%	0.443	S	S	.	.	H	α-helix	trans	-63.8	-44.9	173.5	-73.5	163.8	137.5	0	0	111.6	M138 T139 S144 A145 I146	M138-E142 HydrophobicContact CB-CB 4.22Å; T139-E142 WeakPolarHBondContact CB-OE2 3.14Å; T139-E142 WeakPolarHBondContact CG2-OE2 3.4Å; T139-E142 PolarHBondContact N-OE2 3.27Å; T139-E142 PolarHBondContact O-N 2.74Å; T139-E142 VanDerWaalsContact OG1-CD 3.23Å; T139-E142 VanDerWaalsContact OG1-CG 3.25Å; T139-E142 WeakPolarHBondContact OG1-CG 3.43Å; T139-E142 PolarHBondContact OG1-N 3.46Å; T139-E142 PolarHBondContact OG1-OE2 2.74Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-S144 PolarHBondContact O-N 2.87Å; E142-A145 WeakPolarHBondContact O-CB 3.46Å; E142-A145 PolarHBondContact O-N 3.25Å; E142-I146 WeakPolarHBondContact O-CG1 3.25Å; E142-I146 PolarHBondContact O-N 2.65Å
143	V	84.6	Confident	81.5	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.012	44%	0.439	C	S	.	.	H	α-helix	trans	-66.6	-37.4	174.7	179.9	0	0	0	0	111.3	Y128 L131 T132 M138 T139 A145 I146 T147	Y128-V143 HydrophobicContact CD2-CB 4.27Å; Y128-V143 HydrophobicContact CD2-CG1 3.87Å; Y128-V143 HydrophobicContact CG-CG1 4.4Å; L131-V143 HydrophobicContact CB-CG2 3.82Å; L131-V143 HydrophobicContact CD1-CG1 4.45Å; L131-V143 HydrophobicContact CD1-CG2 4.09Å; T132-V143 HydrophobicContact CG2-CG2 4.26Å; M138-V143 HydrophobicContact CB-CG2 3.8Å; T139-V143 PolarHBondContact O-N 3.15Å; T139-V143 VanDerWaalsContact O-N 3.15Å; V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 PolarHBondContact O-N 3.04Å; V143-I146 PolarHBondContact O-N 3.15Å; V143-T147 HydrophobicContact CG1-CG2 4.44Å; V143-T147 PolarHBondContact O-N 3.43Å; V143-T147 PolarHBondContact O-OG1 2.9Å
144	S	84.9	Confident	81.9	Confident	40 Å²	40	80.2 Å²	80.2	28%	0.28	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-35.6	173.7	-167	0	0	0	0	112	L140 D141 E142 T147 K148	L140-S144 VanDerWaalsContact O-CB 3.24Å; L140-S144 WeakPolarHBondContact O-CB 3.35Å; L140-S144 PolarHBondContact O-N 3.39Å; D141-S144 WeakPolarHBondContact O-CB 3.2Å; D141-S144 PolarHBondContact O-N 3.38Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-S144 PolarHBondContact O-N 2.87Å; S144-T147 WeakPolarHBondContact CA-OG1 3.46Å; S144-T147 PolarHBondContact O-OG1 3.13Å; S144-K148 WeakPolarHBondContact O-CD 3.45Å; S144-K148 WeakPolarHBondContact O-CG 3.37Å; S144-K148 PolarHBondContact O-N 3.48Å; S144-K148 WeakPolarHBondContact OG-CE 3.34Å; S144-K148 PolarHBondContact OG-NZ 3.28Å
145	A	85.8	Confident	82.7	Confident	55 Å²	55	78.5 Å²	78.5	46%	0.455	45%	0.446	S	S	.	.	H	α-helix	trans	-67.5	-45.9	173.8	0	0	0	0	0	111.4	D141 E142 V143 T147 K148	D141-A145 WeakPolarHBondContact O-CB 3.47Å; D141-A145 PolarHBondContact O-N 3.04Å; E142-A145 WeakPolarHBondContact O-CB 3.46Å; E142-A145 PolarHBondContact O-N 3.25Å; V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 PolarHBondContact O-N 3.04Å; A145-T147 PolarHBondContact O-N 3.39Å; A145-K148 PolarHBondContact O-N 3.03Å
146	I	83.7	Confident	83.6	Confident	43 Å²	43	74.3 Å²	74.3	22%	0.221	43%	0.425	C	S	.	.	H	α-helix	trans	-60.1	-43.9	178.3	-66.9	164.5	0	0	0	111.7	L131 M138 E142 V143 K148 L149 F152 N153	L131-I146 HydrophobicContact CD1-CD1 4.41Å; M138-I146 HydrophobicContact CE-CD1 4.32Å; M138-I146 HydrophobicContact SD-CD1 3.66Å; E142-I146 WeakPolarHBondContact O-CG1 3.25Å; E142-I146 PolarHBondContact O-N 2.65Å; V143-I146 PolarHBondContact O-N 3.15Å; I146-K148 VanDerWaalsContact C-N 3.27Å; I146-K148 PolarHBondContact O-N 2.92Å; I146-L149 PolarHBondContact O-N 2.65Å; I146-F152 HydrophobicContact CG2-CE2 4.11Å; I146-F152 HydrophobicContact CG2-CZ 4.4Å; I146-N153 PolarHBondContact O-ND2 2.91Å
147	T	84.3	Confident	84.2	Confident	29 Å²	29	73.9 Å²	73.9	18%	0.178	42%	0.422	C	S	.	.	H	α-helix	trans	-72.8	-15	-177.5	46	0	0	0	0	114.1	H124 L127 V143 S144 A145	H124-T147 HydrophobicContact CB-CG2 4.18Å; H124-T147 PolarHBondContact CE1-O 3.19Å; L127-T147 HydrophobicContact CD2-CG2 4.06Å; V143-T147 HydrophobicContact CG1-CG2 4.44Å; V143-T147 PolarHBondContact O-N 3.43Å; V143-T147 PolarHBondContact O-OG1 2.9Å; S144-T147 WeakPolarHBondContact CA-OG1 3.46Å; S144-T147 PolarHBondContact O-OG1 3.13Å; A145-T147 PolarHBondContact O-N 3.39Å
148	K	85.6	Confident	84.7	Confident	155 Å²	155	67.1 Å²	67.1	67%	0.674	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.1	174.8	-75	165.9	-174.9	152	0	114.2	S144 A145 I146 A150	S144-K148 WeakPolarHBondContact O-CD 3.45Å; S144-K148 WeakPolarHBondContact O-CG 3.37Å; S144-K148 PolarHBondContact O-N 3.48Å; S144-K148 WeakPolarHBondContact OG-CE 3.34Å; S144-K148 PolarHBondContact OG-NZ 3.28Å; A145-K148 PolarHBondContact O-N 3.03Å; I146-K148 VanDerWaalsContact C-N 3.27Å; I146-K148 PolarHBondContact O-N 2.92Å; K148-A150 PolarHBondContact O-N 2.88Å
149	L	83.4	Confident	85.2	Confident	81 Å²	81	64.1 Å²	64.1	42%	0.424	38%	0.378	S	S	.	.			trans	-75.7	113	-178.4	-67.3	170.1	0	0	0	110.9	I146 D151 F152 N153	I146-L149 PolarHBondContact O-N 2.65Å; L149-D151 VanDerWaalsContact C-N 3.26Å; L149-D151 PolarHBondContact O-N 3.41Å; L149-F152 HydrophobicContact CB-CE1 4.02Å; L149-F152 HydrophobicContact CB-CE2 4.2Å; L149-F152 HydrophobicContact CB-CZ 3.75Å; L149-F152 HydrophobicContact CD1-CE1 4.02Å; L149-F152 HydrophobicContact CD1-CZ 3.6Å; L149-F152 HydrophobicContact CG-CZ 4.31Å; L149-N153 WeakPolarHBondContact O-CB 3.22Å; L149-N153 PolarHBondContact O-N 3.42Å; L149-N153 PolarHBondContact O-ND2 3.44Å
150	A	81.6	Confident	85.4	Confident	87 Å²	87	61.4 Å²	61.4	72%	0.719	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.3	-171.9	0	0	0	0	0	114.2	K148 F152	K148-A150 PolarHBondContact O-N 2.88Å; A150-F152 PolarHBondContact O-N 3.45Å
151	D	80.9	Confident	85.7	Confident	107 Å²	107	59.8 Å²	59.8	57%	0.572	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.3	-175.8	-49.8	-89.5	0	0	0	112.9	L149 K162 L166	L149-D151 VanDerWaalsContact C-N 3.26Å; L149-D151 PolarHBondContact O-N 3.41Å; D151-K162 WeakPolarHBondContact O-CD 3.46Å; D151-L166 HydrophobicContact CB-CD2 4.15Å
152	F	84.8	Confident	85.9	Confident	9 Å²	9	58.3 Å²	58.3	4%	0.039	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	3.6	-177	54.6	-104.7	0	0	0	114	I146 L149 A150 L158 D159 K162 F163 L166	I146-F152 HydrophobicContact CG2-CE2 4.11Å; I146-F152 HydrophobicContact CG2-CZ 4.4Å; L149-F152 HydrophobicContact CB-CE1 4.02Å; L149-F152 HydrophobicContact CB-CE2 4.2Å; L149-F152 HydrophobicContact CB-CZ 3.75Å; L149-F152 HydrophobicContact CD1-CE1 4.02Å; L149-F152 HydrophobicContact CD1-CZ 3.6Å; L149-F152 HydrophobicContact CG-CZ 4.31Å; A150-F152 PolarHBondContact O-N 3.45Å; F152-L158 HydrophobicContact CB-CD1 4.34Å; F152-L158 HydrophobicContact CD2-CD1 3.29Å; F152-L158 HydrophobicContact CE2-CD1 3.89Å; F152-L158 HydrophobicContact CG-CD1 4.16Å; F152-D159 WeakPolarHBondContact O-CB 3.25Å; F152-D159 PolarHBondContact O-N 2.81Å; F152-K162 HydrophobicContact CB-CB 3.93Å; F152-F163 HydrophobicContact CB-CB 4.1Å; F152-F163 HydrophobicContact CD1-CB 4.49Å; F152-F163 AromaticContact CD1-CD2 3.94Å; F152-F163 HydrophobicContact CD1-CD2 3.94Å; F152-F163 HydrophobicContact CD2-CB 4.43Å; F152-F163 HydrophobicContact CD2-CD2 4.01Å; F152-F163 AromaticContact CE1-CD2 3.78Å; F152-F163 HydrophobicContact CE1-CD2 3.78Å; F152-F163 HydrophobicContact CE1-CE2 4.28Å; F152-F163 AromaticContact CE2-CD2 3.82Å; F152-F163 HydrophobicContact CE2-CD2 3.82Å; F152-F163 HydrophobicContact CE2-CE2 4.4Å; F152-F163 HydrophobicContact CG-CB 4.1Å; F152-F163 HydrophobicContact CG-CD2 4.03Å; F152-F163 AromaticContact CZ-CD2 3.69Å; F152-F163 HydrophobicContact CZ-CD2 3.69Å; F152-F163 HydrophobicContact CZ-CE2 4.01Å; F152-L166 HydrophobicContact CD1-CD2 3.57Å; F152-L166 HydrophobicContact CE1-CD2 3.64Å
153	N	87	Confident	86.1	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.7	172.3	-61.2	-77.9	0	0	0	111.3	H124 I146 L149 K157	H124-N153 PolarHBondContact NE2-OD1 3.21Å; I146-N153 PolarHBondContact O-ND2 2.91Å; L149-N153 WeakPolarHBondContact O-CB 3.22Å; L149-N153 PolarHBondContact O-N 3.42Å; L149-N153 PolarHBondContact O-ND2 3.44Å; N153-K157 VanDerWaalsContact CA-O 3.3Å; N153-K157 WeakPolarHBondContact CA-O 3.16Å
154	S	84.1	Confident	86.3	Confident	58 Å²	58	56.2 Å²	56.2	41%	0.406	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	145.4	169.6	63.6	0	0	0	0	110.7	G156 K157	S154-G156 VanDerWaalsContact C-N 3.26Å; S154-G156 PolarHBondContact O-N 3.34Å; S154-G156 VanDerWaalsContact O-N 3.09Å; S154-K157 PolarHBondContact N-O 3.21Å; S154-K157 PolarHBondContact O-N 3.28Å; S154-K157 VanDerWaalsContact O-O 3.14Å
155	S	83.6	Confident	86.4	Confident	127 Å²	127	57.7 Å²	57.7	89%	0.888	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	36.4	172.8	-52.9	0	0	0	0	115.4	K157	S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 2.59Å
156	G	85.5	Confident	86.5	Confident	42 Å²	42	58.3 Å²	58.3	43%	0.433	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	16.1	-178.3	0	0	0	0	0	114.9	H124 S154	H124-G156 WeakPolarHBondContact CB-O 3.47Å; H124-G156 PolarHBondContact CD2-O 2.63Å; H124-G156 VanDerWaalsContact CG-O 3.22Å; H124-G156 PolarHBondContact N-O 2.73Å; S154-G156 VanDerWaalsContact C-N 3.26Å; S154-G156 PolarHBondContact O-N 3.34Å; S154-G156 VanDerWaalsContact O-N 3.09Å
157	K	89.1	Confident	86.6	Confident	79 Å²	79	58.5 Å²	58.5	34%	0.343	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.6	178.2	-46.7	-161	179.7	-170.2	0	112.1	Y121 I122 L123 H124 N153 S154 S155	Y121-K157 HydrophobicContact CD1-CB 4.37Å; Y121-K157 HydrophobicContact CG-CD 4.37Å; I122-K157 CarbonylContact O-C 3.56Å; I122-K157 WeakPolarHBondContact O-CA 3.35Å; L123-K157 HydrophobicContact CD2-CD 3.95Å; L123-K157 HydrophobicContact CD2-CG 3.99Å; H124-K157 PolarHBondContact NE2-O 3.3Å; N153-K157 VanDerWaalsContact CA-O 3.3Å; N153-K157 WeakPolarHBondContact CA-O 3.16Å; S154-K157 PolarHBondContact N-O 3.21Å; S154-K157 PolarHBondContact O-N 3.28Å; S154-K157 VanDerWaalsContact O-O 3.14Å; S155-K157 VanDerWaalsContact C-N 3.32Å; S155-K157 PolarHBondContact O-N 2.59Å
158	L	90.8	Very high	86.7	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.4	168.2	166.8	64.4	0	0	0	109.3	F111 Y121 I122 L127 F152 Y160 F163	F111-L158 HydrophobicContact CE1-CD2 4.28Å; Y121-L158 CarbonylContact C-O 3.38Å; Y121-L158 VanDerWaalsContact CA-O 3.24Å; Y121-L158 WeakPolarHBondContact CA-O 3.27Å; I122-L158 HydrophobicContact CB-CB 4.42Å; I122-L158 PolarHBondContact N-O 2.95Å; I122-L158 PolarHBondContact O-N 2.69Å; L127-L158 HydrophobicContact CD1-CD2 3.74Å; L127-L158 HydrophobicContact CD2-CB 4.14Å; L127-L158 HydrophobicContact CD2-CD2 3.75Å; L127-L158 HydrophobicContact CD2-CG 4.5Å; L127-L158 HydrophobicContact CG-CD2 4.35Å; F152-L158 HydrophobicContact CB-CD1 4.34Å; F152-L158 HydrophobicContact CD2-CD1 3.29Å; F152-L158 HydrophobicContact CE2-CD1 3.89Å; F152-L158 HydrophobicContact CG-CD1 4.16Å; L158-Y160 PolarHBondContact O-N 2.78Å; L158-F163 HydrophobicContact CD1-CB 4.06Å; L158-F163 HydrophobicContact CD1-CG 4.48Å
159	D	91.7	Very high	86.8	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.053	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	93.5	164.6	-173.8	-33.9	0	0	0	108.4	Y121 F152 N161 K162 F163	Y121-D159 HydrophobicContact CD1-CB 3.96Å; Y121-D159 HydrophobicContact CE1-CB 3.73Å; F152-D159 WeakPolarHBondContact O-CB 3.25Å; F152-D159 PolarHBondContact O-N 2.81Å; D159-N161 PolarHBondContact O-N 2.78Å; D159-N161 WeakPolarHBondContact OD1-CB 3.2Å; D159-N161 PolarHBondContact OD1-N 3.29Å; D159-K162 HydrophobicContact CB-CB 4.2Å; D159-K162 HydrophobicContact CB-CD 4.22Å; D159-K162 HydrophobicContact CB-CG 4.33Å; D159-K162 PolarHBondContact O-N 3.16Å; D159-K162 PolarHBondContact OD1-N 2.76Å; D159-K162 WeakPolarHBondContact OD2-CD 3.37Å; D159-K162 VanDerWaalsContact OD2-CE 3.26Å; D159-K162 WeakPolarHBondContact OD2-CE 3.28Å; D159-K162 WeakPolarHBondContact OD2-CG 3.24Å; D159-K162 IonicContact OD2-NZ 2.71Å; D159-K162 PolarHBondContact OD2-NZ 3.09Å; D159-F163 PolarHBondContact O-N 2.84Å
160	Y	89.4	Confident	86.9	Confident	18 Å²	18	56.4 Å²	56.4	7%	0.071	33%	0.326	C	S	.	.	H	α-helix	trans	-73.1	-15.8	-174.6	69.4	-100.4	0	0	0	112.6	L108 F111 D115 G120 I122 L158 C164	L108-Y160 HydrophobicContact CD2-CD2 3.81Å; L108-Y160 HydrophobicContact CD2-CE2 3.74Å; F111-Y160 HydrophobicContact CB-CD1 4.06Å; F111-Y160 HydrophobicContact CB-CD2 3.41Å; F111-Y160 VanDerWaalsContact CB-CD2 3.41Å; F111-Y160 HydrophobicContact CB-CE1 4.42Å; F111-Y160 HydrophobicContact CB-CE2 3.85Å; F111-Y160 HydrophobicContact CB-CG 3.54Å; F111-Y160 HydrophobicContact CD1-CG 4.37Å; F111-Y160 HydrophobicContact CD2-CD2 4.05Å; F111-Y160 HydrophobicContact CD2-CG 4.23Å; F111-Y160 AromaticContact CG-CD2 3.91Å; F111-Y160 HydrophobicContact CG-CD2 3.91Å; F111-Y160 AromaticContact CG-CG 3.82Å; F111-Y160 HydrophobicContact CG-CG 3.82Å; D115-Y160 HydrophobicContact CB-CE1 3.77Å; D115-Y160 WeakPolarHBondContact OD2-CE1 3.22Å; D115-Y160 PolarHBondContact OD2-OH 2.86Å; G120-Y160 VanDerWaalsContact CA-CE1 3.45Å; G120-Y160 WeakPolarHBondContact O-CD1 3.4Å; G120-Y160 WeakPolarHBondContact O-CE1 3.46Å; I122-Y160 HydrophobicContact CD1-CD1 4.09Å; I122-Y160 HydrophobicContact CG1-CD1 4.09Å; L158-Y160 PolarHBondContact O-N 2.78Å; Y160-C164 WeakPolarHBondContact O-CB 3.48Å; Y160-C164 PolarHBondContact O-N 2.97Å; Y160-C164 PolarHBondContact O-SG 3.49Å
161	N	88.9	Confident	87	Confident	60 Å²	60	53.4 Å²	53.4	32%	0.321	30%	0.3	S	S	.	.	H	α-helix	trans	-68.3	-50.9	172	-68.1	-79.9	0	0	0	109.7	L108 D159 F163 C164 D165	L108-N161 VanDerWaalsContact CD2-OD1 3.27Å; L108-N161 WeakPolarHBondContact CD2-OD1 3.09Å; D159-N161 PolarHBondContact O-N 2.78Å; D159-N161 WeakPolarHBondContact OD1-CB 3.2Å; D159-N161 PolarHBondContact OD1-N 3.29Å; N161-F163 VanDerWaalsContact C-N 3.31Å; N161-F163 PolarHBondContact O-N 2.96Å; N161-C164 PolarHBondContact O-N 2.79Å; N161-C164 VanDerWaalsContact O-N 3.17Å; N161-D165 PolarHBondContact O-N 3.5Å
162	K	89.5	Confident	87.2	Confident	102 Å²	102	54.9 Å²	54.9	44%	0.443	30%	0.303	S	S	.	.	H	α-helix	trans	-60.1	-39	172.5	-71.6	-176.9	-172	123.5	0	112.8	D151 F152 D159 D165 L166	D151-K162 WeakPolarHBondContact O-CD 3.46Å; F152-K162 HydrophobicContact CB-CB 3.93Å; D159-K162 HydrophobicContact CB-CB 4.2Å; D159-K162 HydrophobicContact CB-CD 4.22Å; D159-K162 HydrophobicContact CB-CG 4.33Å; D159-K162 PolarHBondContact O-N 3.16Å; D159-K162 PolarHBondContact OD1-N 2.76Å; D159-K162 WeakPolarHBondContact OD2-CD 3.37Å; D159-K162 VanDerWaalsContact OD2-CE 3.26Å; D159-K162 WeakPolarHBondContact OD2-CE 3.28Å; D159-K162 WeakPolarHBondContact OD2-CG 3.24Å; D159-K162 IonicContact OD2-NZ 2.71Å; D159-K162 PolarHBondContact OD2-NZ 3.09Å; K162-D165 PolarHBondContact O-N 3.15Å; K162-L166 WeakPolarHBondContact O-CB 3.34Å; K162-L166 PolarHBondContact O-N 2.75Å
163	F	88.9	Confident	87.2	Confident	58 Å²	58	58.5 Å²	58.5	25%	0.254	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-44.2	174.2	-180	-92.5	0	0	0	112	F111 F152 L158 D159 N161 L166 Y167	F111-F163 AromaticContact CE2-CD1 3.74Å; F111-F163 HydrophobicContact CE2-CD1 3.74Å; F111-F163 HydrophobicContact CE2-CE1 4.1Å; F111-F163 AromaticContact CZ-CD1 3.68Å; F111-F163 HydrophobicContact CZ-CD1 3.68Å; F111-F163 AromaticContact CZ-CE1 3.84Å; F111-F163 HydrophobicContact CZ-CE1 3.84Å; F152-F163 HydrophobicContact CB-CB 4.1Å; F152-F163 HydrophobicContact CD1-CB 4.49Å; F152-F163 AromaticContact CD1-CD2 3.94Å; F152-F163 HydrophobicContact CD1-CD2 3.94Å; F152-F163 HydrophobicContact CD2-CB 4.43Å; F152-F163 HydrophobicContact CD2-CD2 4.01Å; F152-F163 AromaticContact CE1-CD2 3.78Å; F152-F163 HydrophobicContact CE1-CD2 3.78Å; F152-F163 HydrophobicContact CE1-CE2 4.28Å; F152-F163 AromaticContact CE2-CD2 3.82Å; F152-F163 HydrophobicContact CE2-CD2 3.82Å; F152-F163 HydrophobicContact CE2-CE2 4.4Å; F152-F163 HydrophobicContact CG-CB 4.1Å; F152-F163 HydrophobicContact CG-CD2 4.03Å; F152-F163 AromaticContact CZ-CD2 3.69Å; F152-F163 HydrophobicContact CZ-CD2 3.69Å; F152-F163 HydrophobicContact CZ-CE2 4.01Å; L158-F163 HydrophobicContact CD1-CB 4.06Å; L158-F163 HydrophobicContact CD1-CG 4.48Å; D159-F163 PolarHBondContact O-N 2.84Å; N161-F163 VanDerWaalsContact C-N 3.31Å; N161-F163 PolarHBondContact O-N 2.96Å; F163-L166 PolarHBondContact O-N 3.4Å; F163-Y167 WeakPolarHBondContact O-CB 3.46Å; F163-Y167 PolarHBondContact O-N 2.9Å
164	C	88.6	Confident	86.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-41.1	176.7	-69.2	0	0	0	0	111.9	K104 L107 L108 Y160 N161 Y167 M168	K104-C164 HydrophobicContact CG-CB 4.17Å; L107-C164 VanDerWaalsContact CB-SG 3.57Å; L108-C164 HydrophobicContact CD2-CB 4.16Å; Y160-C164 WeakPolarHBondContact O-CB 3.48Å; Y160-C164 PolarHBondContact O-N 2.97Å; Y160-C164 PolarHBondContact O-SG 3.49Å; N161-C164 PolarHBondContact O-N 2.79Å; N161-C164 VanDerWaalsContact O-N 3.17Å; C164-Y167 PolarHBondContact O-N 3.2Å; C164-M168 VanDerWaalsContact O-CG 3.28Å; C164-M168 WeakPolarHBondContact O-CG 3.39Å; C164-M168 PolarHBondContact O-N 3.29Å
165	D	87.8	Confident	86.6	Confident	71 Å²	71	58.5 Å²	58.5	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-49.5	174.2	-80.4	-51.4	0	0	0	111.7	K104 N161 K162 Y167 M168 T169	K104-D165 VanDerWaalsContact CE-OD1 3.3Å; K104-D165 WeakPolarHBondContact CE-OD1 3.31Å; K104-D165 IonicContact NZ-OD1 3.74Å; K104-D165 PolarHBondContact NZ-OD1 2.98Å; K104-D165 IonicContact NZ-OD2 2.6Å; K104-D165 PolarHBondContact NZ-OD2 3.34Å; N161-D165 PolarHBondContact O-N 3.5Å; K162-D165 PolarHBondContact O-N 3.15Å; D165-Y167 VanDerWaalsContact C-N 3.29Å; D165-Y167 PolarHBondContact O-N 3.27Å; D165-M168 PolarHBondContact O-N 2.74Å; D165-T169 PolarHBondContact O-N 2.95Å; D165-T169 PolarHBondContact O-OG1 2.82Å
166	L	87	Confident	86.7	Confident	67 Å²	67	57.4 Å²	57.4	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-58.5	-40.5	175.8	-178	65	0	0	0	112	D151 F152 K162 F163 T170	D151-L166 HydrophobicContact CB-CD2 4.15Å; F152-L166 HydrophobicContact CD1-CD2 3.57Å; F152-L166 HydrophobicContact CE1-CD2 3.64Å; K162-L166 WeakPolarHBondContact O-CB 3.34Å; K162-L166 PolarHBondContact O-N 2.75Å; F163-L166 PolarHBondContact O-N 3.4Å; L166-T170 WeakPolarHBondContact O-CB 3.04Å; L166-T170 PolarHBondContact O-N 2.83Å; L166-T170 PolarHBondContact O-OG1 2.78Å
167	Y	86.3	Confident	86.7	Confident	47 Å²	47	57.3 Å²	57.3	18%	0.184	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-48.2	176	176.6	-88.2	0	0	0	111.7	N70 L107 F163 C164 D165 T170 S171	N70-Y167 HydrophobicContact CB-CE2 4.21Å; L107-Y167 HydrophobicContact CD1-CD1 3.41Å; L107-Y167 VanDerWaalsContact CD1-CD1 3.41Å; L107-Y167 HydrophobicContact CD1-CE1 3.78Å; L107-Y167 HydrophobicContact CD1-CG 4.13Å; F163-Y167 WeakPolarHBondContact O-CB 3.46Å; F163-Y167 PolarHBondContact O-N 2.9Å; C164-Y167 PolarHBondContact O-N 3.2Å; D165-Y167 VanDerWaalsContact C-N 3.29Å; D165-Y167 PolarHBondContact O-N 3.27Å; Y167-T170 PolarHBondContact O-N 3.42Å; Y167-S171 WeakPolarHBondContact O-CB 3.48Å; Y167-S171 PolarHBondContact O-N 3.39Å
168	M	87.3	Confident	86.3	Confident	66 Å²	66	53.6 Å²	53.6	33%	0.325	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-48.2	179.1	-66.1	-59.1	-62.5	0	0	110.9	K104 L107 C164 D165 T170 S171 E172	K104-M168 HydrophobicContact CB-CG 4.02Å; K104-M168 HydrophobicContact CB-SD 4.32Å; K104-M168 HydrophobicContact CG-CG 4.47Å; L107-M168 HydrophobicContact CD1-SD 4.41Å; C164-M168 VanDerWaalsContact O-CG 3.28Å; C164-M168 WeakPolarHBondContact O-CG 3.39Å; C164-M168 PolarHBondContact O-N 3.29Å; D165-M168 PolarHBondContact O-N 2.74Å; M168-T170 VanDerWaalsContact C-N 3.33Å; M168-T170 PolarHBondContact O-N 3.36Å; M168-S171 PolarHBondContact O-N 3.08Å; M168-E172 WeakPolarHBondContact O-CB 3.21Å; M168-E172 PolarHBondContact O-N 2.68Å
169	T	87.6	Confident	85.8	Confident	84 Å²	84	56.1 Å²	56.1	52%	0.515	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-40.8	176.2	-58.8	0	0	0	0	111.9	D165 Q173	D165-T169 PolarHBondContact O-N 2.95Å; D165-T169 PolarHBondContact O-OG1 2.82Å; T169-Q173 WeakPolarHBondContact O-CB 2.94Å; T169-Q173 PolarHBondContact O-N 3.34Å
170	T	84.3	Confident	85.5	Confident	71 Å²	71	59.7 Å²	59.7	44%	0.436	31%	0.305	S	S	.	.	H	α-helix	trans	-67.4	-42.8	177.9	-57.7	0	0	0	0	111.4	L166 Y167 M168 Q173 C174	L166-T170 WeakPolarHBondContact O-CB 3.04Å; L166-T170 PolarHBondContact O-N 2.83Å; L166-T170 PolarHBondContact O-OG1 2.78Å; Y167-T170 PolarHBondContact O-N 3.42Å; M168-T170 VanDerWaalsContact C-N 3.33Å; M168-T170 PolarHBondContact O-N 3.36Å; T170-Q173 PolarHBondContact O-N 3.41Å; T170-C174 WeakPolarHBondContact O-CB 3.5Å; T170-C174 PolarHBondContact O-N 3.33Å; T170-C174 PolarHBondContact O-SG 3.45Å; T170-C174 VanDerWaalsContact O-SG 3.35Å
171	S	83.7	Confident	84.9	Confident	24 Å²	24	64.3 Å²	64.3	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-43.9	177.6	-174.9	0	0	0	0	111.9	G68 Y167 M168 C174 C175	G68-S171 VanDerWaalsContact CA-OG 3.28Å; G68-S171 WeakPolarHBondContact CA-OG 3.28Å; G68-S171 PolarHBondContact O-OG 3.31Å; Y167-S171 WeakPolarHBondContact O-CB 3.48Å; Y167-S171 PolarHBondContact O-N 3.39Å; M168-S171 PolarHBondContact O-N 3.08Å; S171-C174 PolarHBondContact O-N 3Å; S171-C175 PolarHBondContact O-N 3.34Å; S171-C175 PolarHBondContact O-SG 3.1Å
172	E	85.6	Confident	84.1	Confident	138 Å²	138	63.2 Å²	63.2	65%	0.645	32%	0.319	S	S	*	.	H	α-helix	trans	-64.3	-45.5	175.2	-174.5	177.3	-173.2	0	0	111.1	M168 C174 C175 K176	M168-E172 WeakPolarHBondContact O-CB 3.21Å; M168-E172 PolarHBondContact O-N 2.68Å; E172-C174 VanDerWaalsContact C-N 3.33Å; E172-C174 PolarHBondContact O-N 3.29Å; E172-C175 PolarHBondContact O-N 3.47Å; E172-K176 VanDerWaalsContact O-CB 3.27Å; E172-K176 WeakPolarHBondContact O-CB 3.49Å; E172-K176 PolarHBondContact O-N 2.83Å
173	Q	84.6	Confident	83.4	Confident	85 Å²	85	63 Å²	63	40%	0.397	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-34.1	178.2	-172.3	59.5	41.4	0	0	112.2	T169 T170 T177	T169-Q173 WeakPolarHBondContact O-CB 2.94Å; T169-Q173 PolarHBondContact O-N 3.34Å; T170-Q173 PolarHBondContact O-N 3.41Å; Q173-T177 PolarHBondContact NE2-OG1 2.98Å; Q173-T177 WeakPolarHBondContact O-CB 3.37Å; Q173-T177 PolarHBondContact O-N 3.35Å; Q173-T177 PolarHBondContact O-OG1 3.08Å
174	C	78.9	Confident	82.2	Confident	37 Å²	37	63.5 Å²	63.5	25%	0.25	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-53.2	172.1	-79.5	0	0	0	0	111.4	T170 S171 E172 K176 T177 A178	T170-C174 WeakPolarHBondContact O-CB 3.5Å; T170-C174 PolarHBondContact O-N 3.33Å; T170-C174 PolarHBondContact O-SG 3.45Å; T170-C174 VanDerWaalsContact O-SG 3.35Å; S171-C174 PolarHBondContact O-N 3Å; E172-C174 VanDerWaalsContact C-N 3.33Å; E172-C174 PolarHBondContact O-N 3.29Å; C174-K176 VanDerWaalsContact C-N 3.35Å; C174-K176 PolarHBondContact O-N 3.19Å; C174-T177 PolarHBondContact O-N 2.98Å; C174-A178 WeakPolarHBondContact O-CB 3.23Å; C174-A178 PolarHBondContact O-N 3.46Å
175	C	79.4	Confident	80.6	Confident	38 Å²	38	66.8 Å²	66.8	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-45.6	177.2	-67.4	0	0	0	0	111.8	A67 S171 E172 A178 L179	A67-C175 VanDerWaalsContact C-SG 3.57Å; S171-C175 PolarHBondContact O-N 3.34Å; S171-C175 PolarHBondContact O-SG 3.1Å; E172-C175 PolarHBondContact O-N 3.47Å; C175-A178 WeakPolarHBondContact O-CB 3.41Å; C175-A178 PolarHBondContact O-N 2.85Å; C175-L179 WeakPolarHBondContact O-CG 3.32Å; C175-L179 PolarHBondContact O-N 2.8Å
176	K	85.8	Confident	78.7	Confident	104 Å²	104	65.7 Å²	65.7	45%	0.452	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-45.1	177.4	-174.4	178.1	177.6	-177.6	0	111.9	E172 C174 A178 L179 E180	E172-K176 VanDerWaalsContact O-CB 3.27Å; E172-K176 WeakPolarHBondContact O-CB 3.49Å; E172-K176 PolarHBondContact O-N 2.83Å; C174-K176 VanDerWaalsContact C-N 3.35Å; C174-K176 PolarHBondContact O-N 3.19Å; K176-A178 VanDerWaalsContact C-N 3.3Å; K176-A178 PolarHBondContact O-N 3.41Å; K176-L179 PolarHBondContact O-N 3.39Å; K176-E180 WeakPolarHBondContact CE-OE1 3.2Å; K176-E180 HydrophobicContact CG-CG 4.42Å; K176-E180 WeakPolarHBondContact O-CB 3.32Å; K176-E180 VanDerWaalsContact O-CG 3.31Å; K176-E180 WeakPolarHBondContact O-CG 3.17Å; K176-E180 PolarHBondContact O-N 2.94Å
177	T	84.8	Confident	76.6	Confident	41 Å²	41	68.5 Å²	68.5	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-33.8	176.9	-55.3	0	0	0	0	111.4	Q173 C174 K181	Q173-T177 PolarHBondContact NE2-OG1 2.98Å; Q173-T177 WeakPolarHBondContact O-CB 3.37Å; Q173-T177 PolarHBondContact O-N 3.35Å; Q173-T177 PolarHBondContact O-OG1 3.08Å; C174-T177 PolarHBondContact O-N 2.98Å; T177-K181 HydrophobicContact CG2-CD 4.19Å; T177-K181 HydrophobicContact CG2-CG 4.43Å; T177-K181 VanDerWaalsContact O-CB 3.24Å; T177-K181 WeakPolarHBondContact O-CB 3.41Å; T177-K181 WeakPolarHBondContact O-CG 3.32Å; T177-K181 PolarHBondContact O-N 3.33Å
178	A	81.9	Confident	74.1	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.008	36%	0.358	C	S	.	.	H	α-helix	trans	-66.8	-44.3	174.5	0	0	0	0	0	111.7	A41 T45 C174 C175 K176 K181 L182	A41-A178 HydrophobicContact CB-CB 4.27Å; T45-A178 HydrophobicContact CG2-CB 3.57Å; C174-A178 WeakPolarHBondContact O-CB 3.23Å; C174-A178 PolarHBondContact O-N 3.46Å; C175-A178 WeakPolarHBondContact O-CB 3.41Å; C175-A178 PolarHBondContact O-N 2.85Å; K176-A178 VanDerWaalsContact C-N 3.3Å; K176-A178 PolarHBondContact O-N 3.41Å; A178-K181 PolarHBondContact O-N 3.47Å; A178-L182 PolarHBondContact O-N 2.61Å
179	L	80	Confident	71.6	Confident	57 Å²	57	73.8 Å²	73.8	30%	0.298	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-48.5	173.7	-72.3	164.6	0	0	0	111.8	M37 N38 A41 C175 K176 K181 L182 E183	M37-L179 HydrophobicContact CG-CD2 4.16Å; N38-L179 WeakPolarHBondContact OD1-CD1 2.99Å; A41-L179 HydrophobicContact CB-CD2 3.79Å; A41-L179 HydrophobicContact CB-CG 4.13Å; C175-L179 WeakPolarHBondContact O-CG 3.32Å; C175-L179 PolarHBondContact O-N 2.8Å; K176-L179 PolarHBondContact O-N 3.39Å; L179-K181 VanDerWaalsContact C-N 3.31Å; L179-K181 PolarHBondContact O-N 3.29Å; L179-L182 WeakPolarHBondContact O-CB 3.46Å; L179-L182 PolarHBondContact O-N 2.84Å; L179-L182 VanDerWaalsContact O-N 3.13Å; L179-E183 PolarHBondContact O-N 3.24Å
180	E	84.6	Confident	69	Low	85 Å²	85	76.1 Å²	76.1	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-40	176	-75.2	173.7	178.6	0	0	111.3	K176 E183 V184	K176-E180 WeakPolarHBondContact CE-OE1 3.2Å; K176-E180 HydrophobicContact CG-CG 4.42Å; K176-E180 WeakPolarHBondContact O-CB 3.32Å; K176-E180 VanDerWaalsContact O-CG 3.31Å; K176-E180 WeakPolarHBondContact O-CG 3.17Å; K176-E180 PolarHBondContact O-N 2.94Å; E180-E183 PolarHBondContact O-N 3.3Å; E180-V184 WeakPolarHBondContact O-CB 3.23Å; E180-V184 WeakPolarHBondContact O-CG2 3.47Å; E180-V184 PolarHBondContact O-N 3.13Å
181	K	77.3	Confident	66.4	Low	114 Å²	114	79.4 Å²	79.4	50%	0.496	38%	0.379	S	S	.	.	H	α-helix	trans	-65.6	-40.3	173.3	-80.7	173.1	179.3	174.7	0	112.6	T45 T177 A178 L179 E183 V184 D185	T45-K181 HydrophobicContact CG2-CD 4.25Å; T177-K181 HydrophobicContact CG2-CD 4.19Å; T177-K181 HydrophobicContact CG2-CG 4.43Å; T177-K181 VanDerWaalsContact O-CB 3.24Å; T177-K181 WeakPolarHBondContact O-CB 3.41Å; T177-K181 WeakPolarHBondContact O-CG 3.32Å; T177-K181 PolarHBondContact O-N 3.33Å; A178-K181 PolarHBondContact O-N 3.47Å; L179-K181 VanDerWaalsContact C-N 3.31Å; L179-K181 PolarHBondContact O-N 3.29Å; K181-E183 VanDerWaalsContact C-N 3.32Å; K181-V184 PolarHBondContact O-N 3.19Å; K181-D185 VanDerWaalsContact O-CB 3.31Å; K181-D185 WeakPolarHBondContact O-CB 3.29Å; K181-D185 PolarHBondContact O-N 3.36Å
182	L	73	Confident	63.7	Low	37 Å²	37	86 Å²	86	19%	0.194	41%	0.407	C	S	.	.	H	α-helix	trans	-63.1	-41.8	175.1	-178.9	61	0	0	0	110.8	A41 L44 A178 L179 S186	A41-L182 HydrophobicContact CB-CB 4.32Å; A41-L182 HydrophobicContact CB-CD2 3.93Å; L44-L182 HydrophobicContact CD1-CD1 3.58Å; A178-L182 PolarHBondContact O-N 2.61Å; L179-L182 WeakPolarHBondContact O-CB 3.46Å; L179-L182 PolarHBondContact O-N 2.84Å; L179-L182 VanDerWaalsContact O-N 3.13Å; L182-S186 WeakPolarHBondContact O-CB 3.49Å; L182-S186 PolarHBondContact O-N 3.43Å
183	E	73.1	Confident	61	Low	97 Å²	97	84.6 Å²	84.6	45%	0.453	40%	0.4	S	S	.	.	H	α-helix	trans	-70.1	-42.4	177	-153.9	-164.3	168.7	0	0	111.9	L179 E180 K181 S186 R187	L179-E183 PolarHBondContact O-N 3.24Å; E180-E183 PolarHBondContact O-N 3.3Å; K181-E183 VanDerWaalsContact C-N 3.32Å; E183-S186 CarbonylContact O-C 3.52Å; E183-S186 WeakPolarHBondContact O-CA 3.45Å; E183-S186 WeakPolarHBondContact O-CB 3.32Å; E183-S186 PolarHBondContact O-N 2.85Å; E183-S186 PolarHBondContact O-OG 2.89Å; E183-R187 VanDerWaalsContact CD-NH2 3.28Å; E183-R187 VanDerWaalsContact O-CG 3.29Å; E183-R187 WeakPolarHBondContact O-CG 3.22Å; E183-R187 PolarHBondContact O-N 3.28Å; E183-R187 IonicContact OE1-CZ 2.65Å; E183-R187 VanDerWaalsContact OE1-CZ 3.27Å; E183-R187 IonicContact OE1-NE 2.74Å; E183-R187 PolarHBondContact OE1-NE 3.45Å; E183-R187 VanDerWaalsContact OE1-NE 3.15Å; E183-R187 IonicContact OE1-NH2 2.76Å; E183-R187 PolarHBondContact OE1-NH2 3.43Å; E183-R187 IonicContact OE2-CZ 2.76Å; E183-R187 IonicContact OE2-NH2 3.17Å; E183-R187 PolarHBondContact OE2-NH2 2.94Å
184	V	65.3	Low	58.1	Low	69 Å²	69	84.2 Å²	84.2	42%	0.418	42%	0.419	S	S	.	.	H	α-helix	trans	-68.1	-37	177.4	168.3	0	0	0	0	111.5	E180 K181 S186 R187 L188	E180-V184 WeakPolarHBondContact O-CB 3.23Å; E180-V184 WeakPolarHBondContact O-CG2 3.47Å; E180-V184 PolarHBondContact O-N 3.13Å; K181-V184 PolarHBondContact O-N 3.19Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-R187 CarbonylContact O-C 3.58Å; V184-R187 PolarHBondContact O-N 2.99Å; V184-R187 VanDerWaalsContact O-N 3.15Å; V184-L188 HydrophobicContact CG1-CD1 3.74Å; V184-L188 HydrophobicContact CG1-CG 4.14Å; V184-L188 WeakPolarHBondContact O-CB 3.36Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.48Å
185	D	55	Low	55.7	Low	70 Å²	70	86.4 Å²	86.4	37%	0.374	43%	0.434	S	S	.	.	H	α-helix	trans	-66.1	-37.4	170.8	-165	55.1	0	0	0	110.5	K181 R187 L188 R189	K181-D185 VanDerWaalsContact O-CB 3.31Å; K181-D185 WeakPolarHBondContact O-CB 3.29Å; K181-D185 PolarHBondContact O-N 3.36Å; D185-R187 VanDerWaalsContact C-N 3.26Å; D185-R187 PolarHBondContact O-N 2.81Å; D185-L188 PolarHBondContact O-N 2.93Å; D185-R189 VanDerWaalsContact O-CB 3.27Å; D185-R189 WeakPolarHBondContact O-CB 3.33Å; D185-R189 VanDerWaalsContact O-CG 3.22Å; D185-R189 WeakPolarHBondContact O-CG 3.34Å; D185-R189 PolarHBondContact O-N 2.9Å; D185-R189 IonicContact OD1-NE 2.61Å; D185-R189 IonicContact OD2-CZ 3.72Å; D185-R189 IonicContact OD2-NE 3.53Å; D185-R189 PolarHBondContact OD2-NE 2.84Å; D185-R189 IonicContact OD2-NH2 3.65Å; D185-R189 PolarHBondContact OD2-NH2 2.8Å
186	S	47.8	Very low	53.1	Low	48 Å²	48	93.6 Å²	93.6	34%	0.336	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-29.3	171.4	91.9	0	0	0	0	113.4	L182 E183 V184	L182-S186 WeakPolarHBondContact O-CB 3.49Å; L182-S186 PolarHBondContact O-N 3.43Å; E183-S186 CarbonylContact O-C 3.52Å; E183-S186 WeakPolarHBondContact O-CA 3.45Å; E183-S186 WeakPolarHBondContact O-CB 3.32Å; E183-S186 PolarHBondContact O-N 2.85Å; E183-S186 PolarHBondContact O-OG 2.89Å; V184-S186 VanDerWaalsContact C-N 3.33Å
187	R	42.4	Very low	50.4	Low	126 Å²	126	92.3 Å²	92.3	48%	0.475	47%	0.473	S	S	.	.	H	α-helix	trans	-84.7	-35.4	176.5	-68.6	169.4	-178.2	-157	6	112.2	E183 V184 D185 R190 Q191	E183-R187 VanDerWaalsContact CD-NH2 3.28Å; E183-R187 VanDerWaalsContact O-CG 3.29Å; E183-R187 WeakPolarHBondContact O-CG 3.22Å; E183-R187 PolarHBondContact O-N 3.28Å; E183-R187 IonicContact OE1-CZ 2.65Å; E183-R187 VanDerWaalsContact OE1-CZ 3.27Å; E183-R187 IonicContact OE1-NE 2.74Å; E183-R187 PolarHBondContact OE1-NE 3.45Å; E183-R187 VanDerWaalsContact OE1-NE 3.15Å; E183-R187 IonicContact OE1-NH2 2.76Å; E183-R187 PolarHBondContact OE1-NH2 3.43Å; E183-R187 IonicContact OE2-CZ 2.76Å; E183-R187 IonicContact OE2-NH2 3.17Å; E183-R187 PolarHBondContact OE2-NH2 2.94Å; V184-R187 CarbonylContact O-C 3.58Å; V184-R187 PolarHBondContact O-N 2.99Å; V184-R187 VanDerWaalsContact O-N 3.15Å; D185-R187 VanDerWaalsContact C-N 3.26Å; D185-R187 PolarHBondContact O-N 2.81Å; R187-R190 CarbonylContact O-C 3.56Å; R187-R190 WeakPolarHBondContact O-CA 3.35Å; R187-R190 VanDerWaalsContact O-CB 3.31Å; R187-R190 WeakPolarHBondContact O-CB 3.5Å; R187-R190 PolarHBondContact O-N 3.06Å; R187-Q191 WeakPolarHBondContact O-CG 3.41Å; R187-Q191 PolarHBondContact O-N 3.38Å
188	L	33.9	Very low	47.5	Very low	69 Å²	69	99.9 Å²	99.9	36%	0.361	51%	0.505	S	S	.	.	H	α-helix	trans	-71.9	-37.9	174.5	-77.4	169.8	0	0	0	111.2	V184 D185 R190 Q191 Q192	V184-L188 HydrophobicContact CG1-CD1 3.74Å; V184-L188 HydrophobicContact CG1-CG 4.14Å; V184-L188 WeakPolarHBondContact O-CB 3.36Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.48Å; D185-L188 PolarHBondContact O-N 2.93Å; L188-R190 PolarHBondContact O-N 2.95Å; L188-Q191 PolarHBondContact O-N 3.03Å; L188-Q192 WeakPolarHBondContact O-CB 3.21Å; L188-Q192 PolarHBondContact O-N 3Å
189	R	34.3	Very low	44.8	Very low	154 Å²	154	105.8 Å²	105.8	58%	0.581	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.1	164.8	-68.5	-179.4	-161.8	-149.3	7.2	113.3	D185 F193	D185-R189 VanDerWaalsContact O-CB 3.27Å; D185-R189 WeakPolarHBondContact O-CB 3.33Å; D185-R189 VanDerWaalsContact O-CG 3.22Å; D185-R189 WeakPolarHBondContact O-CG 3.34Å; D185-R189 PolarHBondContact O-N 2.9Å; D185-R189 IonicContact OD1-NE 2.61Å; D185-R189 IonicContact OD2-CZ 3.72Å; D185-R189 IonicContact OD2-NE 3.53Å; D185-R189 PolarHBondContact OD2-NE 2.84Å; D185-R189 IonicContact OD2-NH2 3.65Å; D185-R189 PolarHBondContact OD2-NH2 2.8Å; R189-F193 WeakPolarHBondContact O-CD2 3.3Å
190	R	33.3	Very low	42.3	Very low	134 Å²	134	108.9 Å²	108.9	51%	0.506	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.9	-7.7	167.1	-80	-174	-170.5	127.1	14.6	114.5	R187 L188 F193 S195	R187-R190 CarbonylContact O-C 3.56Å; R187-R190 WeakPolarHBondContact O-CA 3.35Å; R187-R190 VanDerWaalsContact O-CB 3.31Å; R187-R190 WeakPolarHBondContact O-CB 3.5Å; R187-R190 PolarHBondContact O-N 3.06Å; L188-R190 PolarHBondContact O-N 2.95Å; R190-F193 CarbonylContact C-O 3.57Å; R190-S195 PolarHBondContact O-OG 3.02Å; R190-S195 VanDerWaalsContact O-OG 3.11Å
191	Q	29.3	Very low	39.6	Very low	139 Å²	139	110.1 Å²	110.1	65%	0.65	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-34.8	-175.7	-74.8	-179.9	-10	0	0	113.2	R187 L188	R187-Q191 WeakPolarHBondContact O-CG 3.41Å; R187-Q191 PolarHBondContact O-N 3.38Å; L188-Q191 PolarHBondContact O-N 3.03Å
192	Q	27.2	Very low	37.2	Very low	162 Å²	162	114 Å²	114	76%	0.757	61%	0.605	S	S	*	*	S	Bend	trans	-69.3	-24	166.6	-68.4	-176.1	-7	0	0	111.7	L188	L188-Q192 WeakPolarHBondContact O-CB 3.21Å; L188-Q192 PolarHBondContact O-N 3Å
193	F	29.6	Very low	35	Very low	110 Å²	110	115.4 Å²	115.4	48%	0.482	63%	0.63	S	S	.	*	S	Bend	trans	-90.3	96.9	160	-68.9	-98.2	0	0	0	106.9	R189 R190 S195	R189-F193 WeakPolarHBondContact O-CD2 3.3Å; R190-F193 CarbonylContact C-O 3.57Å; F193-S195 PolarHBondContact O-N 3.47Å; F193-S195 VanDerWaalsContact O-N 3.09Å
194	G	24.1	Very low	32.8	Very low	77 Å²	77	119.3 Å²	119.3	79%	0.794	65%	0.652	S	S	*	*			trans	-56.9	112.8	-163.8	0	0	0	0	0	114.5
195	S	26.5	Very low	30.8	Very low	83 Å²	83	120.5 Å²	120.5	58%	0.58	67%	0.668	S	S	*	*			trans	-120.1	86.2	167.7	67	0	0	0	0	110.6	R190 F193 A197	R190-S195 PolarHBondContact O-OG 3.02Å; R190-S195 VanDerWaalsContact O-OG 3.11Å; F193-S195 PolarHBondContact O-N 3.47Å; F193-S195 VanDerWaalsContact O-N 3.09Å; S195-A197 PolarHBondContact O-N 2.92Å
196	Q	25.4	Very low	29.5	Very low	189 Å²	189	125.2 Å²	125.2	88%	0.883	69%	0.693	S	S	*	*			trans	-72.2	102.3	147.1	-81.3	-77.9	-4.8	0	0	105.9
197	A	28.7	Very low	28.6	Very low	76 Å²	76	128.6 Å²	128.6	63%	0.628	71%	0.714	S	S	*	*			trans	-72.8	126.3	161.9	0	0	0	0	0	107	S195 T199	S195-A197 PolarHBondContact O-N 2.92Å; A197-T199 PolarHBondContact O-N 3.35Å
198	E	25.3	Very low	27.7	Very low	201 Å²	201	128.5 Å²	128.5	94%	0.939	73%	0.727	S	S	*	*			trans	-62.2	99.9	172.7	-69.5	-171.7	151.4	0	0	109.4	S200	E198-S200 PolarHBondContact O-N 3.36Å
199	T	24.6	Very low	27.2	Very low	125 Å²	125	130.6 Å²	130.6	77%	0.767	75%	0.748	S	S	*	*			trans	-77.4	112.2	163.7	43.5	0	0	0	0	108.4	A197 S201	A197-T199 PolarHBondContact O-N 3.35Å; T199-S201 PolarHBondContact O-N 3.47Å
200	S	26.7	Very low	26.8	Very low	121 Å²	121	132.7 Å²	132.7	85%	0.846	76%	0.761	S	S	*	*			trans	-53.7	118.7	169.9	51.5	0	0	0	0	110.3	E198	E198-S200 PolarHBondContact O-N 3.36Å
201	S	27.9	Very low	26.6	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	77%	0.769	S	S	*	*			trans	-105.8	106.3	176.7	-167.6	0	0	0	0	109.6	T199	T199-S201 PolarHBondContact O-N 3.47Å
202	E	27.8	Very low	26.5	Very low	194 Å²	194	129.9 Å²	129.9	91%	0.907	78%	0.775	S	S	*	*			trans	-75.3	139	154.9	-75.1	-167.9	137.4	0	0	108.8
203	G	26.6	Very low	26.7	Very low	68 Å²	68	128.6 Å²	128.6	70%	0.701	78%	0.78	S	S	*	*			trans	-91.7	158.8	-153.2	0	0	0	0	0	116.4
204	I	27.3	Very low	26.4	Very low	179 Å²	179	134 Å²	134	92%	0.918	80%	0.798	S	S	*	*			trans	-133.7	150.6	153.2	-85.3	156.6	0	0	0	107.7
205	A	23.7	Very low	26.5	Very low	93 Å²	93	137.2 Å²	137.2	77%	0.769	80%	0.801	S	S	*	*			trans	-75.4	154.1	-157.7	0	0	0	0	0	117.4
206	L	26.4	Very low	26.3	Very low	169 Å²	169	137.5 Å²	137.5	89%	0.885	80%	0.803	S	S	*	*			trans	-89	155.5	165	-72.8	168.8	0	0	0	112.2
207	P	29.3	Very low	26.3	Very low	120 Å²	120	140 Å²	140	78%	0.779	80%	0.804	S	S	*	*			trans	-121.4	107.6	150.1	33.5	-21.8	0	0	0	114.3
208	V	25	Very low	26.1	Very low	123 Å²	123	146.1 Å²	146.1	75%	0.745	82%	0.817	S	S	*	*			trans	36.6	119.7	134	-172.6	0	0	0	0	121.5
209	S	23.1	Very low	26.1	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	80%	0.802	S	S	*	*				-178	117.3	117.7	35.8	0	0	0	0	110.1
210	K	26.1	Very low	26.1	Very low	197 Å²	197	140.6 Å²	140.6	86%	0.857	80%	0.8	S	S	*	*				78	147.7	77.3	-90.1	-161.9	174.3	177.7	0	114.9
211	P	27.6	Very low	26.1	Very low	106 Å²	106	142.3 Å²	142.3	69%	0.688	79%	0.794	S	S	*	*				-131.7	164.5	-121.4	42.3	-28.3	0	0	0	117.5
212	S	27.3	Very low	25.9	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	79%	0.793	S	S	*	*			trans	49.2	149.8	147.3	-51	0	0	0	0	121.3
213	P	31.8	Very low	25.6	Very low	134 Å²	134	142.8 Å²	142.8	87%	0.87	79%	0.785	S	S	*	*				-143.4	174.4	98.4	35	-18.3	0	0	0	116.6
214	R	24.3	Very low	25.4	Very low	225 Å²	225	146 Å²	146	85%	0.849	79%	0.791	S	S	*	*			trans	-97.2	154.6	-169.7	-55.2	160.2	167.6	166.7	-6.5	113.7
215	V	25.2	Very low	25.3	Very low	144 Å²	144	141.7 Å²	141.7	87%	0.873	78%	0.783	S	S	*	*			trans	-145.9	162.5	136.8	-175	0	0	0	0	109.7
216	S	21.9	Very low	25.4	Very low	89 Å²	89	146.3 Å²	146.3	62%	0.622	79%	0.79	S	S	*	*				173	75.3	-98.7	61.5	0	0	0	0	114.9
217	R	25.5	Very low	25.4	Very low	240 Å²	240	148.1 Å²	148.1	91%	0.906	79%	0.791	S	S	*	*			trans	-161.4	124.4	170.4	-92.8	148.6	-164.1	-148.4	5.6	107.8
218	K	24.6	Very low	25.2	Very low	206 Å²	206	146 Å²	146	90%	0.896	79%	0.791	S	S	*	*				63.3	135.9	59.6	-73.4	-163.8	174.1	-168.7	0	113.9
219	A	25.3	Very low	25.1	Very low	76 Å²	76	147.8 Å²	147.8	63%	0.628	80%	0.796	S	S	*	*			cis	-170.3	168.2	-14.4	0	0	0	0	0	111.5
220	D	24.9	Very low	25.2	Very low	134 Å²	134	147 Å²	147	72%	0.717	79%	0.791	S	S	*	*			trans	77.1	137	145.5	-70.5	-48.9	0	0	0	126.2
221	H	26.6	Very low	25.2	Very low	157 Å²	157	149.2 Å²	149.2	73%	0.727	79%	0.794	S	S	*	*			trans	71.3	150.7	146.8	-68.2	-3.6	0	0	0	120
222	K	23.1	Very low	25.2	Very low	174 Å²	174	152 Å²	152	76%	0.757	80%	0.801	S	S	*	*			cis	-161.2	-179.9	-18.4	-125.4	-177.5	177.2	175.9	0	108.9
223	L	23.1	Very low	25.1	Very low	142 Å²	142	152.6 Å²	152.6	74%	0.743	81%	0.805	S	S	*	*			trans	-30.3	156.5	174	-72.3	79.4	0	0	0	116.7
224	T	22.3	Very low	24.9	Very low	134 Å²	134	151.1 Å²	151.1	82%	0.822	80%	0.799	S	S	*	*				-171.6	163.5	59.6	-37.6	0	0	0	0	112.2
225	A	25	Very low	25	Very low	90 Å²	90	151.8 Å²	151.8	74%	0.744	80%	0.801	S	S	*	*			trans	-88.6	156.8	178.3	0	0	0	0	0	114.6
226	M	24.8	Very low	25.1	Very low	189 Å²	189	151 Å²	151	93%	0.931	80%	0.799	S	S	*	*			trans	-158.5	155.3	152.6	-108.1	-59.6	155.5	0	0	112.2
227	K	27.2	Very low	25.2	Very low	207 Å²	207	152.4 Å²	152.4	90%	0.9	81%	0.809	S	S	*	*			trans	-85.9	158.2	-179	-72.7	178.4	171.2	-177.8	0	112.7
228	G	24.4	Very low	25.4	Very low	75 Å²	75	146 Å²	146	77%	0.773	80%	0.801	S	S	*	*			trans	-174.6	129.1	163.8	0	0	0	0	0	112.5
229	D	22.9	Very low	25.6	Very low	161 Å²	161	141.1 Å²	141.1	86%	0.861	80%	0.799	S	S	*	*			trans	-85.1	151.6	-168.5	-78.9	-59.3	0	0	0	116.1
230	S	25	Very low	26	Very low	97 Å²	97	146 Å²	146	68%	0.678	81%	0.809	S	S	*	*			trans	29	121.6	149.8	71.4	0	0	0	0	120.6
231	R	26.8	Very low	26.5	Very low	244 Å²	244	144 Å²	144	92%	0.921	81%	0.805	S	S	*	*				-168.6	155.4	109.5	-102	168	-156.2	-166.9	6.9	112.7
232	I	27.6	Very low	27.2	Very low	164 Å²	164	141.8 Å²	141.8	84%	0.841	81%	0.806	S	S	*	*			trans	-70.3	134.7	-173.9	-63.7	157.3	0	0	0	110.8
233	S	24.4	Very low	29	Very low	122 Å²	122	140.7 Å²	140.7	85%	0.853	80%	0.801	S	S	*	*			trans	-138.3	112.5	158.3	-177.5	0	0	0	0	109
234	S	28.6	Very low	31.9	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	77%	0.77	S	S	*	*			trans	-90.4	133.1	-177.6	43.3	0	0	0	0	111.4
235	R	25.8	Very low	35	Very low	238 Å²	238	129.9 Å²	129.9	90%	0.898	74%	0.744	S	S	*	*			trans	-151.2	144	147.5	-111.3	174	-177.8	-173.1	-0.5	110.2
236	P	26.7	Very low	38.3	Very low	127 Å²	127	126.6 Å²	126.6	83%	0.825	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-85	131.4	-161.3	32.5	-33.4	0	0	0	111.8
237	S	25.7	Very low	41.5	Very low	119 Å²	119	120.8 Å²	120.8	83%	0.832	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-86	133	161.4	-169.6	0	0	0	0	109.4
238	S	28.5	Very low	44.5	Very low	106 Å²	106	111 Å²	111	74%	0.741	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-64.5	127.3	-173.7	48.6	0	0	0	0	113.6	Q240	S238-Q240 PolarHBondContact O-N 2.89Å; S238-Q240 VanDerWaalsContact O-N 3.11Å
239	A	29.7	Very low	47.8	Very low	103 Å²	103	111 Å²	111	85%	0.851	63%	0.634	S	S	*	*			trans	41.6	54.2	148.3	0	0	0	0	0	117.4	S241	A239-S241 PolarHBondContact O-N 2.92Å
240	Q	32.3	Very low	51	Low	179 Å²	179	104.2 Å²	104.2	84%	0.836	60%	0.597	S	S	*	*			trans	-75.3	105.8	157.5	-151.5	169.7	18.3	0	0	107.4	S238 C242	S238-Q240 PolarHBondContact O-N 2.89Å; S238-Q240 VanDerWaalsContact O-N 3.11Å; Q240-C242 PolarHBondContact O-N 3.38Å
241	S	35.7	Very low	54.2	Low	91 Å²	91	104.1 Å²	104.1	64%	0.636	60%	0.596	S	S	*	*			trans	-68.2	101.3	173.8	65.3	0	0	0	0	108.4	A239 K243	A239-S241 PolarHBondContact O-N 2.92Å; S241-K243 PolarHBondContact O-N 3.05Å
242	C	42.1	Very low	57.1	Low	112 Å²	112	93.3 Å²	93.3	76%	0.757	56%	0.557	S	S	*	*			trans	-58.9	102.1	172.7	-61.6	0	0	0	0	108.5	Q240 A244	Q240-C242 PolarHBondContact O-N 3.38Å; C242-A244 PolarHBondContact O-N 3Å
243	K	61	Low	59.7	Low	150 Å²	150	87.4 Å²	87.4	65%	0.652	53%	0.53	S	S	*	.			trans	-68.3	117.6	167.8	-71.5	-176.6	176.7	-178.6	0	106	S241 S245	S241-K243 PolarHBondContact O-N 3.05Å; K243-S245 PolarHBondContact O-N 3.3Å; K243-S245 VanDerWaalsContact O-N 3.16Å
244	A	83.3	Confident	62.2	Low	11 Å²	11	82.7 Å²	82.7	9%	0.091	50%	0.498	C	S	.	.			trans	-57.3	119.8	173.3	0	0	0	0	0	108.2	C242 M546 D547 C549 S627 L628	C242-A244 PolarHBondContact O-N 3Å; A244-M546 HydrophobicContact CB-CG 4.16Å; A244-M546 HydrophobicContact CB-SD 4.23Å; A244-D547 VanDerWaalsContact CA-O 3.25Å; A244-D547 WeakPolarHBondContact CA-O 3.27Å; A244-D547 WeakPolarHBondContact CB-O 3.43Å; A244-C549 HydrophobicContact CB-CB 4.14Å; A244-C549 VanDerWaalsContact CB-SG 3.57Å; A244-S627 CarbonylContact O-C 3.6Å; A244-S627 WeakPolarHBondContact O-CA 3.49Å; A244-L628 HydrophobicContact CB-CB 4.1Å; A244-L628 HydrophobicContact CB-CD2 4.44Å; A244-L628 PolarHBondContact O-N 2.8Å
245	S	87.7	Confident	63.9	Low	38 Å²	38	80 Å²	80	27%	0.266	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161.2	-172.9	64.7	0	0	0	0	111.5	K243 D547 H626 S627	K243-S245 PolarHBondContact O-N 3.3Å; K243-S245 VanDerWaalsContact O-N 3.16Å; S245-D547 WeakPolarHBondContact O-CB 3.14Å; S245-D547 PolarHBondContact O-N 3.48Å; S245-H626 CarbonylContact C-O 3.42Å; S245-H626 WeakPolarHBondContact CA-O 3.28Å; S245-H626 WeakPolarHBondContact CB-O 3.22Å; S245-S627 WeakPolarHBondContact CB-OG 3.16Å
246	I	93.3	Very high	65.1	Low	22 Å²	22	77.7 Å²	77.7	11%	0.113	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	144.1	171.7	-168.1	136.2	0	0	0	110.7	K544 V545 M546 V554 V625 H626	I246-K544 HydrophobicContact CD1-CB 3.64Å; I246-K544 HydrophobicContact CD1-CD 4.24Å; I246-K544 HydrophobicContact CD1-CG 4.31Å; I246-K544 HydrophobicContact CG1-CB 4.16Å; I246-K544 HydrophobicContact CG1-CD 4.13Å; I246-V545 WeakPolarHBondContact CD1-O 3.38Å; I246-M546 HydrophobicContact CG2-CE 4.13Å; I246-V554 HydrophobicContact CG2-CB 4.37Å; I246-V554 HydrophobicContact CG2-CG2 3.77Å; I246-V625 WeakPolarHBondContact O-CA 3.49Å; I246-H626 HydrophobicContact CG2-CB 3.98Å; I246-H626 PolarHBondContact N-O 3.13Å; I246-H626 PolarHBondContact O-N 2.93Å
247	S	91.9	Very high	66.2	Low	66 Å²	66	78.7 Å²	78.7	46%	0.462	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.1	-179.3	58.6	0	0	0	0	112.8	K544 C624	S247-K544 PolarHBondContact O-NZ 3.48Å; S247-C624 WeakPolarHBondContact CA-O 3.45Å
248	S	92.2	Very high	67.4	Low	3 Å²	3	79.5 Å²	79.5	2%	0.021	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.5	169.8	-81.9	0	0	0	0	110	K544 C624	S248-K544 PolarHBondContact OG-NZ 3.26Å; S248-C624 PolarHBondContact N-O 3.27Å; S248-C624 PolarHBondContact O-N 3.35Å
249	T	92.6	Very high	68.2	Low	73 Å²	73	80.3 Å²	80.3	45%	0.448	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.9	-179.6	-47.7	0	0	0	0	109.4	L621 Y622 N623	T249-L621 HydrophobicContact CG2-CD1 3.98Å; T249-Y622 CarbonylContact C-O 3.57Å; T249-Y622 VanDerWaalsContact CA-O 3.24Å; T249-Y622 WeakPolarHBondContact CA-O 3.45Å; T249-N623 HydrophobicContact CG2-CB 4.25Å
250	F	91.2	Very high	69	Low	19 Å²	19	78 Å²	78	8%	0.083	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127	177.2	-56	-65	0	0	0	109.8	E542 T556 K558 I563 Y622	F250-E542 WeakPolarHBondContact CE1-OE2 3.36Å; F250-E542 WeakPolarHBondContact CZ-OE2 3.49Å; F250-T556 HydrophobicContact CE2-CG2 3.68Å; F250-T556 HydrophobicContact CZ-CG2 4.43Å; F250-K558 HydrophobicContact CD1-CD 4.05Å; F250-K558 HydrophobicContact CE1-CD 4.24Å; F250-K558 HydrophobicContact CG-CD 4.22Å; F250-I563 HydrophobicContact CB-CD1 4.36Å; F250-I563 HydrophobicContact CD2-CD1 4.09Å; F250-Y622 AromaticContact CD2-CD1 3.7Å; F250-Y622 HydrophobicContact CD2-CD1 3.7Å; F250-Y622 HydrophobicContact CD2-CE1 4.25Å; F250-Y622 HydrophobicContact CE2-CD1 4.32Å; F250-Y622 HydrophobicContact CE2-CE1 4.43Å; F250-Y622 PolarHBondContact N-O 3.43Å; F250-Y622 PolarHBondContact O-N 3.09Å
251	S	90.5	Very high	69.9	Low	96 Å²	96	79.4 Å²	79.4	67%	0.671	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.4	166.5	-156.4	0	0	0	0	108.5
252	M	87.7	Confident	70.7	Confident	17 Å²	17	75.8 Å²	75.8	8%	0.084	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.8	-176.3	-64.8	-66	-64.9	0	0	109.4	T559 I563 E619 W620	M252-T559 WeakPolarHBondContact CE-O 3.35Å; M252-I563 HydrophobicContact CG-CD1 4.31Å; M252-E619 WeakPolarHBondContact O-CA 3.41Å; M252-W620 VanDerWaalsContact CB-CD1 3.46Å; M252-W620 HydrophobicContact CB-CD2 3.69Å; M252-W620 VanDerWaalsContact CB-CE2 3.44Å; M252-W620 HydrophobicContact CB-CG 3.74Å; M252-W620 HydrophobicContact CB-CZ2 4.11Å; M252-W620 VanDerWaalsContact CB-NE1 3.25Å; M252-W620 WeakPolarHBondContact CB-O 3.2Å; M252-W620 HydrophobicContact CE-CZ2 3.96Å; M252-W620 HydrophobicContact CG-CD2 3.92Å; M252-W620 HydrophobicContact CG-CE3 4.29Å; M252-W620 HydrophobicContact CG-CG 4.46Å; M252-W620 HydrophobicContact CG-CH2 4.28Å; M252-W620 HydrophobicContact CG-CZ2 3.85Å; M252-W620 HydrophobicContact CG-CZ3 4.48Å; M252-W620 PolarHBondContact N-O 3.42Å; M252-W620 PolarHBondContact O-N 3.19Å
253	S	82.8	Confident	71.3	Confident	40 Å²	40	72.2 Å²	72.2	28%	0.28	38%	0.381	S	S	.	.			trans	-71.3	149.2	179.6	54.2	0	0	0	0	112.2	R258	S253-R258 PolarHBondContact OG-NH1 2.88Å; S253-R258 PolarHBondContact OG-NH2 2.77Å
254	A	75.9	Confident	70.9	Confident	23 Å²	23	70.7 Å²	70.7	19%	0.19	38%	0.376	C	S	.	.			trans	-53	139.5	172.3	0	0	0	0	0	112.6	R256 Q617 E618 E619	A254-R256 PolarHBondContact O-N 2.76Å; A254-Q617 WeakPolarHBondContact CB-O 3.48Å; A254-E618 WeakPolarHBondContact CA-O 3.37Å; A254-E619 HydrophobicContact CB-CG 4.45Å
255	S	65.3	Low	69.4	Low	48 Å²	48	74.7 Å²	74.7	34%	0.336	40%	0.4	S	S	.	.			trans	-83.8	48.6	-175.9	-155.8	0	0	0	0	112.6	N257 E616	S255-N257 PolarHBondContact O-N 3.22Å; S255-N257 VanDerWaalsContact O-N 3.16Å; S255-E616 PolarHBondContact N-O 3.06Å
256	R	51.8	Low	67.5	Low	189 Å²	189	77.3 Å²	77.3	71%	0.713	41%	0.412	S	S	*	.	S	Bend	trans	-77.5	100.2	176.2	-77.2	-173.5	173.2	-168.8	-3.3	110.9	A254 R258	A254-R256 PolarHBondContact O-N 2.76Å; R256-R258 VanDerWaalsContact C-N 3.33Å; R256-R258 PolarHBondContact O-N 2.82Å; R256-R258 VanDerWaalsContact O-N 3.14Å
257	N	49.7	Very low	65.9	Low	147 Å²	147	80.4 Å²	80.4	79%	0.786	43%	0.432	S	S	*	.			trans	46.2	45.9	165.9	-74.4	-17.8	0	0	0	115.5	S255 N259	S255-N257 PolarHBondContact O-N 3.22Å; S255-N257 VanDerWaalsContact O-N 3.16Å; N257-N259 VanDerWaalsContact C-N 3.31Å; N257-N259 PolarHBondContact O-N 2.9Å
258	R	51.1	Low	64.7	Low	136 Å²	136	77.5 Å²	77.5	51%	0.513	41%	0.411	S	S	.	.			trans	-74.8	89.8	163.3	-73.4	-170.2	-178.5	163.7	7.7	109.4	S253 R256 A260 D560	S253-R258 PolarHBondContact OG-NH1 2.88Å; S253-R258 PolarHBondContact OG-NH2 2.77Å; R256-R258 VanDerWaalsContact C-N 3.33Å; R256-R258 PolarHBondContact O-N 2.82Å; R256-R258 VanDerWaalsContact O-N 3.14Å; R258-A260 PolarHBondContact O-N 3.25Å; R258-D560 WeakPolarHBondContact CD-OD2 3.35Å; R258-D560 IonicContact CZ-OD2 2.74Å; R258-D560 IonicContact NH1-OD1 2.65Å; R258-D560 IonicContact NH1-OD2 3.24Å; R258-D560 PolarHBondContact NH1-OD2 2.99Å
259	N	45.1	Very low	63.4	Low	124 Å²	124	84.7 Å²	84.7	66%	0.663	44%	0.442	S	S	*	.			trans	-65.3	81.8	162.8	-70.8	-17.2	0	0	0	108.8	N257	N257-N259 VanDerWaalsContact C-N 3.31Å; N257-N259 PolarHBondContact O-N 2.9Å
260	A	46.6	Very low	62.8	Low	53 Å²	53	90.2 Å²	90.2	44%	0.438	46%	0.463	S	S	.	.			trans	-56.2	140.8	159.5	0	0	0	0	0	107.9	R258 L262	R258-A260 PolarHBondContact O-N 3.25Å; A260-L262 HydrophobicContact CB-CD1 4.28Å; A260-L262 PolarHBondContact O-N 2.8Å
261	K	49.9	Very low	62.8	Low	209 Å²	209	91.1 Å²	91.1	91%	0.909	47%	0.466	S	S	*	.			trans	-71.7	67.4	177.3	-71.2	-176.2	175.5	-178.5	0	111	I263	K261-I263 PolarHBondContact O-N 3.43Å
262	L	52.6	Low	62.9	Low	15 Å²	15	91.2 Å²	91.2	8%	0.079	46%	0.455	C	S	.	.			trans	-67	120	154	-87.2	73.5	0	0	0	107.1	A260 E264 Q349 Q350 N351	A260-L262 HydrophobicContact CB-CD1 4.28Å; A260-L262 PolarHBondContact O-N 2.8Å; L262-E264 PolarHBondContact O-N 2.84Å; L262-E264 VanDerWaalsContact O-N 3.12Å; L262-Q349 HydrophobicContact CD1-CB 3.56Å; L262-Q349 HydrophobicContact CD2-CB 4.4Å; L262-Q349 HydrophobicContact CG-CB 3.96Å; L262-Q350 VanDerWaalsContact CD1-C 3.46Å; L262-Q350 VanDerWaalsContact CD1-O 3.32Å; L262-Q350 WeakPolarHBondContact CD1-O 3.26Å; L262-N351 HydrophobicContact CB-CB 4.06Å; L262-N351 HydrophobicContact CD1-CB 4.08Å; L262-N351 HydrophobicContact CD2-CB 3.87Å; L262-N351 HydrophobicContact CG-CB 4.22Å
263	I	55.6	Low	63.2	Low	38 Å²	38	92.8 Å²	92.8	20%	0.195	47%	0.468	C	S	.	.			trans	21.1	88.6	133.8	-48.3	170.6	0	0	0	111.9	K261 P265 V268 C304 K358	K261-I263 PolarHBondContact O-N 3.43Å; I263-P265 WeakPolarHBondContact O-CD 3.35Å; I263-V268 HydrophobicContact CG2-CG2 3.42Å; I263-V268 VanDerWaalsContact CG2-CG2 3.42Å; I263-C304 HydrophobicContact CD1-CB 4.45Å; I263-C304 WeakPolarHBondContact CD1-SG 3.27Å; I263-K358 HydrophobicContact CD1-CB 3.51Å; I263-K358 HydrophobicContact CD1-CD 3.88Å; I263-K358 HydrophobicContact CD1-CG 4.32Å; I263-K358 HydrophobicContact CG1-CD 4.21Å
264	E	52.8	Low	63.8	Low	118 Å²	118	91.7 Å²	91.7	55%	0.551	46%	0.461	S	S	*	.			trans	-57.8	131.4	167.8	-73.4	-172.6	-159.6	0	0	108.1	L262 N266 T267	L262-E264 PolarHBondContact O-N 2.84Å; L262-E264 VanDerWaalsContact O-N 3.12Å; E264-N266 HydrophobicContact CB-CB 4.09Å; E264-N266 PolarHBondContact O-N 3.21Å; E264-N266 PolarHBondContact OE2-ND2 2.96Å; E264-T267 PolarHBondContact O-N 3.34Å; E264-T267 PolarHBondContact O-OG1 3.47Å
265	P	50.7	Low	64.7	Low	94 Å²	94	94.7 Å²	94.7	61%	0.61	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-51.2	-30.5	173.9	-28.4	35.3	0	0	0	112	I263 T267 V268 K269	I263-P265 WeakPolarHBondContact O-CD 3.35Å; P265-T267 PolarHBondContact O-N 3.21Å; P265-T267 VanDerWaalsContact O-N 3.15Å; P265-V268 CarbonylContact O-C 3.47Å; P265-V268 PolarHBondContact O-N 3.33Å; P265-K269 WeakPolarHBondContact O-CG 3.36Å; P265-K269 PolarHBondContact O-N 3.15Å
266	N	48.3	Very low	66.2	Low	94 Å²	94	92.7 Å²	92.7	50%	0.503	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-48.4	-36.4	172.4	-61.5	-32.7	0	0	0	114.4	E264 V268 K269	E264-N266 HydrophobicContact CB-CB 4.09Å; E264-N266 PolarHBondContact O-N 3.21Å; E264-N266 PolarHBondContact OE2-ND2 2.96Å; N266-V268 VanDerWaalsContact C-N 3.33Å; N266-K269 PolarHBondContact OD1-NZ 2.89Å
267	T	58.7	Low	68.4	Low	86 Å²	86	84.3 Å²	84.3	53%	0.528	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-83.6	-5.5	179.9	60.9	0	0	0	0	114.4	E264 P265	E264-T267 PolarHBondContact O-N 3.34Å; E264-T267 PolarHBondContact O-OG1 3.47Å; P265-T267 PolarHBondContact O-N 3.21Å; P265-T267 VanDerWaalsContact O-N 3.15Å
268	V	67.5	Low	70.6	Confident	6 Å²	6	77.3 Å²	77.3	4%	0.036	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-4.6	-173.9	-171.6	0	0	0	0	111.7	I263 P265 N266 E270 W271 Y509	I263-V268 HydrophobicContact CG2-CG2 3.42Å; I263-V268 VanDerWaalsContact CG2-CG2 3.42Å; P265-V268 CarbonylContact O-C 3.47Å; P265-V268 PolarHBondContact O-N 3.33Å; N266-V268 VanDerWaalsContact C-N 3.33Å; V268-E270 PolarHBondContact O-N 3.1Å; V268-W271 HydrophobicContact CG1-CB 3.92Å; V268-W271 HydrophobicContact CG1-CD2 3.91Å; V268-W271 HydrophobicContact CG1-CE3 3.81Å; V268-W271 HydrophobicContact CG1-CG 3.98Å; V268-W271 WeakPolarHBondContact O-CB 3.31Å; V268-W271 PolarHBondContact O-N 2.92Å; V268-Y509 HydrophobicContact CG1-CD1 3.67Å; V268-Y509 HydrophobicContact CG1-CD2 4.06Å; V268-Y509 HydrophobicContact CG1-CE1 4.46Å; V268-Y509 HydrophobicContact CG1-CG 3.44Å; V268-Y509 VanDerWaalsContact CG1-CG 3.44Å
269	K	64.6	Low	72.8	Confident	153 Å²	153	70.9 Å²	70.9	67%	0.665	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.6	-179.9	-88.7	172.9	-177.8	166.9	0	114.9	P265 N266	P265-K269 WeakPolarHBondContact O-CG 3.36Å; P265-K269 PolarHBondContact O-N 3.15Å; N266-K269 PolarHBondContact OD1-NZ 2.89Å
270	E	80.6	Confident	75.2	Confident	190 Å²	190	65 Å²	65	89%	0.888	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-8	179.8	-61.9	-178.8	175.6	0	0	113.4	V268	V268-E270 PolarHBondContact O-N 3.1Å
271	W	91.3	Very high	77.5	Confident	38 Å²	38	63 Å²	63	14%	0.144	31%	0.314	C	S	.	.	S	Bend	trans	-79.1	149.9	-178.4	-68.8	14	0	0	0	111.3	V268 C273 T302 C304 E511	V268-W271 HydrophobicContact CG1-CB 3.92Å; V268-W271 HydrophobicContact CG1-CD2 3.91Å; V268-W271 HydrophobicContact CG1-CE3 3.81Å; V268-W271 HydrophobicContact CG1-CG 3.98Å; V268-W271 WeakPolarHBondContact O-CB 3.31Å; V268-W271 PolarHBondContact O-N 2.92Å; W271-C273 PolarHBondContact O-N 3.07Å; W271-T302 HydrophobicContact CH2-CG2 3.56Å; W271-T302 HydrophobicContact CZ2-CG2 4.47Å; W271-T302 HydrophobicContact CZ3-CG2 4.22Å; W271-C304 HydrophobicContact CZ3-CB 4.26Å; W271-E511 HydrophobicContact CD2-CB 3.81Å; W271-E511 HydrophobicContact CE3-CB 4.15Å; W271-E511 HydrophobicContact CG-CB 4.31Å; W271-E511 HydrophobicContact CH2-CB 4.1Å; W271-E511 HydrophobicContact CZ2-CB 3.75Å; W271-E511 HydrophobicContact CZ2-CG 3.99Å; W271-E511 HydrophobicContact CZ3-CB 4.29Å
272	Q	92.6	Very high	79.4	Confident	97 Å²	97	53.5 Å²	53.5	45%	0.453	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.5	-179.2	-60.6	-173.6	-3.9	0	0	109.5	Y509 A510 K514 P515	Q272-Y509 WeakPolarHBondContact O-CA 3.47Å; Q272-A510 PolarHBondContact N-O 3.1Å; Q272-A510 PolarHBondContact O-N 3.32Å; Q272-K514 HydrophobicContact CB-CB 4.45Å; Q272-K514 VanDerWaalsContact OE1-CA 3.31Å; Q272-P515 WeakPolarHBondContact O-CD 3.38Å
273	C	93	Very high	81	Confident	51 Å²	51	54.4 Å²	54.4	35%	0.345	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	148.4	-175.6	-169.2	0	0	0	0	112.1	W271 V508 Y509	W271-C273 PolarHBondContact O-N 3.07Å; C273-V508 CarbonylContact C-O 3.55Å; C273-V508 WeakPolarHBondContact CA-O 3.45Å; C273-Y509 HydrophobicContact CB-CD1 3.75Å; C273-Y509 HydrophobicContact CB-CE1 3.85Å; C273-Y509 VanDerWaalsContact SG-CE1 3.53Å
274	A	95.3	Very high	82.1	Confident	17 Å²	17	59.8 Å²	59.8	14%	0.14	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.8	155.7	0	0	0	0	0	108.9	V508 P515 I517	A274-V508 PolarHBondContact N-O 3.26Å; A274-V508 PolarHBondContact O-N 3.33Å; A274-P515 HydrophobicContact CB-CB 4.29Å; A274-P515 HydrophobicContact CB-CG 3.83Å; A274-P515 WeakPolarHBondContact CB-O 3.46Å; A274-I517 HydrophobicContact CB-CG2 4.01Å
275	Q	95.8	Very high	83.2	Confident	86 Å²	86	60.2 Å²	60.2	40%	0.402	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.1	-178.9	-175.2	175.9	88.4	0	0	109.2	V505 I506 D507 I517	Q275-V505 VanDerWaalsContact CD-CG2 3.47Å; Q275-V505 HydrophobicContact CG-CG2 3.46Å; Q275-V505 VanDerWaalsContact CG-CG2 3.46Å; Q275-I506 CarbonylContact C-O 3.53Å; Q275-I506 VanDerWaalsContact CA-O 3.31Å; Q275-I506 WeakPolarHBondContact CA-O 3.44Å; Q275-I506 WeakPolarHBondContact CG-O 3.34Å; Q275-D507 PolarHBondContact NE2-OD1 2.72Å; Q275-I517 WeakPolarHBondContact O-CG2 3.48Å
276	S	97.6	Very high	84.7	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.8	159.3	-168.5	0	0	0	0	109.9	Y293 L418 I506	S276-Y293 WeakPolarHBondContact OG-CE1 3.48Å; S276-L418 CarbonylContact C-O 3.59Å; S276-L418 WeakPolarHBondContact CA-O 3.41Å; S276-L418 WeakPolarHBondContact CB-O 3.48Å; S276-L418 PolarHBondContact OG-O 2.83Å; S276-I506 PolarHBondContact N-O 3.01Å; S276-I506 PolarHBondContact O-N 3.35Å
277	K	97.4	Very high	86.5	Confident	13 Å²	13	58 Å²	58	6%	0.057	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	172.8	174	-47.8	-173.8	-149.8	148.7	0	110.9	Y293 L310 E414 D417 L418 F504 V505	K277-Y293 WeakPolarHBondContact O-CE1 3.33Å; K277-Y293 PolarHBondContact O-OH 2.91Å; K277-L310 HydrophobicContact CD-CD2 3.98Å; K277-E414 VanDerWaalsContact CD-O 3.24Å; K277-E414 WeakPolarHBondContact CD-O 3.3Å; K277-E414 PolarHBondContact NZ-O 3.5Å; K277-E414 IonicContact NZ-OE2 2.73Å; K277-E414 PolarHBondContact NZ-OE2 2.89Å; K277-D417 WeakPolarHBondContact CD-O 3.47Å; K277-D417 WeakPolarHBondContact CE-O 3.38Å; K277-D417 PolarHBondContact NZ-O 2.87Å; K277-D417 IonicContact NZ-OD2 2.69Å; K277-D417 PolarHBondContact NZ-OD2 3.09Å; K277-L418 PolarHBondContact N-O 2.87Å; K277-F504 CarbonylContact C-O 3.6Å; K277-F504 WeakPolarHBondContact CA-O 3.36Å; K277-V505 HydrophobicContact CG-CG2 4.49Å
278	G	96.6	Very high	88.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-170	169.6	0	0	0	0	0	111.1	Y293 P503 F504	G278-Y293 VanDerWaalsContact CA-OH 3.25Å; G278-Y293 WeakPolarHBondContact CA-OH 3.4Å; G278-P503 CarbonylContact O-C 3.57Å; G278-P503 WeakPolarHBondContact O-CA 3.44Å; G278-F504 PolarHBondContact N-O 3.27Å; G278-F504 PolarHBondContact O-N 3.01Å
279	C	96.4	Very high	89.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.3	178	-166.8	0	0	0	0	110.3	Y281 T415 P503 F504	C279-Y281 HydrophobicContact CB-CD2 4.34Å; C279-Y281 HydrophobicContact CB-CE1 3.99Å; C279-Y281 HydrophobicContact CB-CE2 3.74Å; C279-Y281 VanDerWaalsContact SG-CE1 3.57Å; C279-T415 HydrophobicContact CB-CG2 3.83Å; C279-P503 VanDerWaalsContact SG-N 3.45Å; C279-F504 WeakPolarHBondContact O-CE1 3.18Å
280	F	96.6	Very high	90.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.8	159.1	-62.6	-73.9	0	0	0	108.1	I288 I289 T327 P370 T372 L377 A501 C502 F504	F280-I288 HydrophobicContact CB-CG2 3.89Å; F280-I288 HydrophobicContact CD1-CG2 3.87Å; F280-I288 HydrophobicContact CG-CG2 4.3Å; F280-I289 CarbonylContact C-O 3.6Å; F280-I289 WeakPolarHBondContact CA-O 3.29Å; F280-T327 HydrophobicContact CE2-CG2 3.91Å; F280-P370 HydrophobicContact CE1-CB 3.61Å; F280-P370 HydrophobicContact CZ-CB 3.58Å; F280-T372 HydrophobicContact CD1-CG2 3.91Å; F280-T372 HydrophobicContact CD2-CG2 4.36Å; F280-T372 HydrophobicContact CE1-CG2 4.18Å; F280-T372 HydrophobicContact CG-CG2 4.02Å; F280-L377 HydrophobicContact CB-CD2 3.72Å; F280-A501 CarbonylContact O-C 3.55Å; F280-A501 VanDerWaalsContact O-CA 3.26Å; F280-A501 WeakPolarHBondContact O-CA 3.3Å; F280-C502 HydrophobicContact CB-CB 4.26Å; F280-C502 HydrophobicContact CD2-CB 4.33Å; F280-C502 PolarHBondContact N-O 3.12Å; F280-C502 PolarHBondContact O-N 2.84Å; F280-F504 HydrophobicContact CD1-CE1 4.23Å; F280-F504 AromaticContact CD2-CD1 3.43Å; F280-F504 HydrophobicContact CD2-CD1 3.43Å; F280-F504 VanDerWaalsContact CD2-CD1 3.43Å; F280-F504 AromaticContact CD2-CE1 3.76Å; F280-F504 HydrophobicContact CD2-CE1 3.76Å; F280-F504 HydrophobicContact CE1-CE1 4.16Å; F280-F504 AromaticContact CE2-CD1 3.35Å; F280-F504 HydrophobicContact CE2-CD1 3.35Å; F280-F504 AromaticContact CE2-CE1 3.67Å; F280-F504 HydrophobicContact CE2-CE1 3.67Å; F280-F504 HydrophobicContact CE2-CG 4.19Å; F280-F504 HydrophobicContact CG-CD1 4.13Å; F280-F504 HydrophobicContact CG-CE1 4.03Å; F280-F504 HydrophobicContact CZ-CD1 4.02Å; F280-F504 AromaticContact CZ-CE1 3.89Å; F280-F504 HydrophobicContact CZ-CE1 3.89Å
281	Y	93.6	Very high	91.4	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.2	172.6	-59.5	-73.4	0	0	0	109.2	C279 I288 I289 L490 A501 L522	C279-Y281 HydrophobicContact CB-CD2 4.34Å; C279-Y281 HydrophobicContact CB-CE1 3.99Å; C279-Y281 HydrophobicContact CB-CE2 3.74Å; C279-Y281 VanDerWaalsContact SG-CE1 3.57Å; Y281-I288 CarbonylContact O-C 3.54Å; Y281-I288 WeakPolarHBondContact O-CA 3.4Å; Y281-I289 PolarHBondContact N-O 3.01Å; Y281-I289 PolarHBondContact O-N 3.23Å; Y281-L490 HydrophobicContact CE1-CD2 4.22Å; Y281-A501 HydrophobicContact CD1-CB 3.89Å; Y281-A501 HydrophobicContact CE1-CB 4.24Å; Y281-L522 HydrophobicContact CD2-CD2 4.29Å; Y281-L522 HydrophobicContact CE2-CD2 4.22Å
282	L	91	Very high	91.6	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.5	175.8	-174.7	71.7	0	0	0	110.3	I288 L377 K378 K379 E500	L282-I288 HydrophobicContact CD1-CD1 4.43Å; L282-I288 HydrophobicContact CD1-CG1 3.78Å; L282-L377 HydrophobicContact CB-CG 4.43Å; L282-K378 VanDerWaalsContact CD2-CA 3.45Å; L282-K379 HydrophobicContact CD2-CB 4.33Å; L282-K379 HydrophobicContact CD2-CG 3.59Å; L282-K379 HydrophobicContact CG-CG 4.35Å; L282-E500 HydrophobicContact CB-CB 4.29Å; L282-E500 VanDerWaalsContact CB-O 3.27Å; L282-E500 WeakPolarHBondContact CB-O 3.4Å; L282-E500 HydrophobicContact CD2-CG 4.35Å; L282-E500 PolarHBondContact N-O 2.98Å
283	E	85.2	Confident	91.8	Very high	35 Å²	35	34 Å²	34	16%	0.164	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-88.6	171.1	179.8	-62.3	-52.5	136.1	0	0	112.7	D285 G286 E287 I289 K379 R435	E283-D285 VanDerWaalsContact C-N 3.32Å; E283-D285 WeakPolarHBondContact CB-OD1 3.46Å; E283-D285 PolarHBondContact O-N 2.66Å; E283-G286 PolarHBondContact O-N 3.22Å; E283-E287 PolarHBondContact N-O 2.99Å; E283-I289 HydrophobicContact CG-CD1 3.64Å; E283-I289 HydrophobicContact CG-CG1 3.72Å; E283-I289 WeakPolarHBondContact OE1-CD1 3.49Å; E283-K379 VanDerWaalsContact O-CE 3.25Å; E283-K379 WeakPolarHBondContact O-CE 3.45Å; E283-R435 IonicContact OE1-CZ 3.91Å; E283-R435 IonicContact OE1-NE 3.82Å; E283-R435 PolarHBondContact OE1-NE 3.01Å; E283-R435 IonicContact OE1-NH2 3.15Å; E283-R435 PolarHBondContact OE1-NH2 3.24Å; E283-R435 IonicContact OE2-CZ 2.65Å; E283-R435 IonicContact OE2-NH2 3.27Å; E283-R435 PolarHBondContact OE2-NH2 3.06Å
284	E	78.3	Confident	91.9	Very high	151 Å²	151	35.9 Å²	35.9	71%	0.706	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.8	-175.1	-60.9	-128.3	112.2	0	0	114.2	G286 K379	E284-G286 VanDerWaalsContact C-N 3.26Å; E284-K379 IonicContact OE1-NZ 2.73Å
285	D	75.9	Confident	92	Very high	126 Å²	126	35 Å²	35	67%	0.674	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.4	173.7	62.3	-0.8	0	0	0	113.4	E283 E287	E283-D285 VanDerWaalsContact C-N 3.32Å; E283-D285 WeakPolarHBondContact CB-OD1 3.46Å; E283-D285 PolarHBondContact O-N 2.66Å; D285-E287 WeakPolarHBondContact OD1-CB 3.45Å; D285-E287 PolarHBondContact OD1-N 2.71Å
286	G	82.1	Confident	92.1	Very high	43 Å²	43	34.4 Å²	34.4	44%	0.443	17%	0.174	S	C	.	.	S	Bend	trans	88.8	6.1	-176	0	0	0	0	0	114.7	E283 E284	E283-G286 PolarHBondContact O-N 3.22Å; E284-G286 VanDerWaalsContact C-N 3.26Å
287	E	86.5	Confident	92.1	Very high	98 Å²	98	34.1 Å²	34.1	46%	0.458	17%	0.172	S	C	.	.			trans	-69.3	158.3	168.1	-73.7	-64.2	141.7	0	0	111.3	E283 D285 T524	E283-E287 PolarHBondContact N-O 2.99Å; D285-E287 WeakPolarHBondContact OD1-CB 3.45Å; D285-E287 PolarHBondContact OD1-N 2.71Å; E287-T524 HydrophobicContact CB-CG2 4.21Å
288	I	92.2	Very high	92	Very high	27 Å²	27	37 Å²	37	14%	0.138	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.7	-177.1	-60.9	174.9	0	0	0	109.7	F280 Y281 L282 T372 L377 T524 G525	F280-I288 HydrophobicContact CB-CG2 3.89Å; F280-I288 HydrophobicContact CD1-CG2 3.87Å; F280-I288 HydrophobicContact CG-CG2 4.3Å; Y281-I288 CarbonylContact O-C 3.54Å; Y281-I288 WeakPolarHBondContact O-CA 3.4Å; L282-I288 HydrophobicContact CD1-CD1 4.43Å; L282-I288 HydrophobicContact CD1-CG1 3.78Å; I288-T372 HydrophobicContact CD1-CG2 3.64Å; I288-T372 HydrophobicContact CG2-CG2 4.03Å; I288-L377 HydrophobicContact CD1-CD2 4.31Å; I288-L377 HydrophobicContact CG2-CD2 4.42Å; I288-T524 CarbonylContact O-C 3.58Å; I288-T524 WeakPolarHBondContact O-CA 3.07Å; I288-G525 PolarHBondContact O-N 3.23Å
289	I	91.7	Very high	91.9	Very high	30 Å²	30	41.7 Å²	41.7	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	138.1	173.1	-65.5	-173.8	0	0	0	109.4	F280 Y281 E283 L522 E523 T524	F280-I289 CarbonylContact C-O 3.6Å; F280-I289 WeakPolarHBondContact CA-O 3.29Å; Y281-I289 PolarHBondContact N-O 3.01Å; Y281-I289 PolarHBondContact O-N 3.23Å; E283-I289 HydrophobicContact CG-CD1 3.64Å; E283-I289 HydrophobicContact CG-CG1 3.72Å; E283-I289 WeakPolarHBondContact OE1-CD1 3.49Å; I289-L522 HydrophobicContact CG2-CB 3.88Å; I289-L522 HydrophobicContact CG2-CD2 3.81Å; I289-L522 HydrophobicContact CG2-CG 4.41Å; I289-E523 WeakPolarHBondContact CA-O 3.47Å; I289-T524 HydrophobicContact CD1-CG2 4.04Å; I289-T524 HydrophobicContact CG1-CG2 3.51Å
290	S	95.3	Very high	92	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154.9	170.7	89.5	0	0	0	0	111.4	K292 E523	S290-K292 WeakPolarHBondContact O-CE 3.19Å; S290-K292 PolarHBondContact O-NZ 3.46Å; S290-K292 PolarHBondContact OG-NZ 3.27Å; S290-E523 PolarHBondContact N-O 3.21Å; S290-E523 PolarHBondContact O-N 2.73Å; S290-E523 VanDerWaalsContact O-N 3.11Å
291	H	95.2	Very high	91.9	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	142.4	166	-64.2	83.6	0	0	0	110.1	Y293 P370 F431 Y521	H291-Y293 HydrophobicContact CB-CE1 4.42Å; H291-Y293 HydrophobicContact CB-CE2 3.75Å; H291-Y293 WeakPolarHBondContact CB-OH 3.29Å; H291-Y293 WeakPolarHBondContact O-CE2 3.05Å; H291-P370 WeakPolarHBondContact O-CD 3.47Å; H291-P370 VanDerWaalsContact O-CG 3.26Å; H291-P370 WeakPolarHBondContact O-CG 3.44Å; H291-F431 AromaticContact CD2-CD1 3.87Å; H291-F431 AromaticContact CD2-CE1 3.92Å; H291-F431 AromaticContact NE2-CD1 3.86Å; H291-F431 AromaticContact NE2-CG 3.95Å; H291-Y521 CarbonylContact C-O 3.54Å; H291-Y521 WeakPolarHBondContact CA-O 3.22Å
292	K	94.9	Very high	92	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.8	168.1	-42.4	-53.4	172.1	-165.9	0	109.2	S290 W367 L369 I520 Y521 E523 T524	S290-K292 WeakPolarHBondContact O-CE 3.19Å; S290-K292 PolarHBondContact O-NZ 3.46Å; S290-K292 PolarHBondContact OG-NZ 3.27Å; K292-W367 HydrophobicContact CB-CE3 4.49Å; K292-W367 HydrophobicContact CB-CZ3 4.36Å; K292-L369 HydrophobicContact CB-CD2 4.09Å; K292-L369 HydrophobicContact CD-CD2 4.06Å; K292-L369 HydrophobicContact CG-CD2 4.26Å; K292-I520 PolarHBondContact O-N 3.03Å; K292-Y521 HydrophobicContact CB-CD2 4.3Å; K292-Y521 HydrophobicContact CB-CE2 3.94Å; K292-Y521 HydrophobicContact CG-CD2 3.88Å; K292-Y521 HydrophobicContact CG-CE2 3.45Å; K292-Y521 VanDerWaalsContact CG-CE2 3.45Å; K292-Y521 PolarHBondContact N-O 3.44Å; K292-E523 VanDerWaalsContact CE-O 3.3Å; K292-E523 WeakPolarHBondContact CE-O 3.39Å; K292-E523 WeakPolarHBondContact CE-OE2 3.24Å; K292-E523 HydrophobicContact CG-CB 4.44Å; K292-E523 PolarHBondContact NZ-O 3.19Å; K292-T524 PolarHBondContact NZ-O 2.9Å
293	Y	96.8	Very high	92.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.2	-172	-51	-103.9	0	0	0	111.8	S276 K277 G278 H291 W367 L368 P370 F504 I506 I517 K518 A519	S276-Y293 WeakPolarHBondContact OG-CE1 3.48Å; K277-Y293 WeakPolarHBondContact O-CE1 3.33Å; K277-Y293 PolarHBondContact O-OH 2.91Å; G278-Y293 VanDerWaalsContact CA-OH 3.25Å; G278-Y293 WeakPolarHBondContact CA-OH 3.4Å; H291-Y293 HydrophobicContact CB-CE1 4.42Å; H291-Y293 HydrophobicContact CB-CE2 3.75Å; H291-Y293 WeakPolarHBondContact CB-OH 3.29Å; H291-Y293 WeakPolarHBondContact O-CE2 3.05Å; Y293-W367 WeakPolarHBondContact O-CA 3.34Å; Y293-L368 PolarHBondContact N-O 3.35Å; Y293-L368 VanDerWaalsContact N-O 3.1Å; Y293-L368 PolarHBondContact O-N 3.49Å; Y293-P370 HydrophobicContact CD2-CG 4.16Å; Y293-P370 HydrophobicContact CE2-CG 3.69Å; Y293-F504 HydrophobicContact CE2-CE2 4.15Å; Y293-F504 HydrophobicContact CE2-CZ 4.3Å; Y293-F504 WeakPolarHBondContact OH-CE2 3.45Å; Y293-I506 HydrophobicContact CD2-CD1 3.83Å; Y293-I506 HydrophobicContact CE2-CD1 3.57Å; Y293-I506 HydrophobicContact CG-CD1 4.44Å; Y293-I517 HydrophobicContact CD1-CD1 4.02Å; Y293-I517 HydrophobicContact CD1-CG1 3.96Å; Y293-I517 HydrophobicContact CG-CD1 4.22Å; Y293-I517 HydrophobicContact CG-CG1 4.29Å; Y293-K518 CarbonylContact C-O 3.53Å; Y293-K518 VanDerWaalsContact CA-O 3.27Å; Y293-K518 WeakPolarHBondContact CA-O 3.46Å; Y293-A519 HydrophobicContact CD1-CB 3.85Å; Y293-A519 HydrophobicContact CE1-CB 3.74Å
294	R	96.6	Very high	92.7	Very high	91 Å²	91	48.3 Å²	48.3	34%	0.343	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.6	161.2	-71.3	173.9	88.7	-153.4	6.9	109.7	E334 V365 Y366 W367 I517 K518 I520	R294-E334 IonicContact CZ-OE2 2.92Å; R294-E334 IonicContact NE-OE2 3.56Å; R294-E334 IonicContact NH2-OE1 2.67Å; R294-E334 PolarHBondContact NH2-OE1 3.05Å; R294-E334 IonicContact NH2-OE2 3.15Å; R294-E334 PolarHBondContact NH2-OE2 3.13Å; R294-V365 HydrophobicContact CB-CG1 4.07Å; R294-V365 HydrophobicContact CG-CG1 4.23Å; R294-Y366 CarbonylContact C-O 3.51Å; R294-Y366 WeakPolarHBondContact CA-O 3.28Å; R294-W367 HydrophobicContact CG-CD2 3.92Å; R294-W367 HydrophobicContact CG-CE3 4.04Å; R294-W367 HydrophobicContact CG-CH2 3.97Å; R294-W367 HydrophobicContact CG-CZ2 3.83Å; R294-W367 HydrophobicContact CG-CZ3 4.07Å; R294-I517 CarbonylContact O-C 3.51Å; R294-I517 WeakPolarHBondContact O-CA 3.2Å; R294-K518 PolarHBondContact N-O 3.17Å; R294-K518 PolarHBondContact O-N 3.29Å; R294-I520 HydrophobicContact CB-CD1 4.08Å; R294-I520 HydrophobicContact CB-CG1 4.22Å; R294-I520 HydrophobicContact CG-CD1 4.11Å; R294-I520 HydrophobicContact CG-CG1 3.88Å
295	L	97.4	Very high	93.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.9	170.3	167.9	61.2	0	0	0	108.8	L297 I305 V365 Y366 L368 V508 P515 R516	L295-L297 HydrophobicContact CD1-CD2 4.23Å; L295-L297 HydrophobicContact CD1-CG 4.42Å; L295-L297 HydrophobicContact CD2-CG 4.48Å; L295-L297 HydrophobicContact CG-CG 4.26Å; L295-I305 HydrophobicContact CD2-CD1 4.12Å; L295-V365 WeakPolarHBondContact O-CA 3.45Å; L295-Y366 PolarHBondContact N-O 3.36Å; L295-Y366 PolarHBondContact O-N 3.11Å; L295-L368 HydrophobicContact CB-CD1 3.86Å; L295-L368 HydrophobicContact CB-CD2 4.35Å; L295-L368 HydrophobicContact CB-CG 4.01Å; L295-L368 HydrophobicContact CD2-CD1 4.28Å; L295-L368 HydrophobicContact CD2-CD2 4.24Å; L295-V508 HydrophobicContact CD1-CG1 3.92Å; L295-V508 HydrophobicContact CD2-CG1 3.91Å; L295-V508 HydrophobicContact CD2-CG2 4.43Å; L295-P515 HydrophobicContact CD1-CB 3.68Å; L295-R516 CarbonylContact C-O 3.55Å; L295-R516 WeakPolarHBondContact CA-O 3.31Å
296	H	97.1	Very high	94.4	Very high	73 Å²	73	35.6 Å²	35.6	34%	0.338	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.3	171.4	173.7	-88.2	0	0	0	110.6	R516	H296-R516 HydrophobicContact CB-CB 4.36Å; H296-R516 PolarHBondContact N-O 2.88Å; H296-R516 PolarHBondContact O-N 3.05Å
297	L	96.6	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.6	174.1	-68.7	174.8	0	0	0	109.6	L295 Q299 V303 L361 S363 G364 Y366 A510 P515	L295-L297 HydrophobicContact CD1-CD2 4.23Å; L295-L297 HydrophobicContact CD1-CG 4.42Å; L295-L297 HydrophobicContact CD2-CG 4.48Å; L295-L297 HydrophobicContact CG-CG 4.26Å; L297-Q299 VanDerWaalsContact C-N 3.31Å; L297-Q299 PolarHBondContact O-N 2.87Å; L297-V303 HydrophobicContact CD1-CG2 3.9Å; L297-V303 HydrophobicContact CD2-CG2 4.36Å; L297-L361 HydrophobicContact CD1-CB 3.53Å; L297-L361 HydrophobicContact CD1-CD1 3.71Å; L297-L361 HydrophobicContact CD1-CG 4.26Å; L297-S363 VanDerWaalsContact O-CA 3.31Å; L297-S363 WeakPolarHBondContact O-CA 3.38Å; L297-G364 PolarHBondContact N-O 3.01Å; L297-G364 PolarHBondContact O-N 3.41Å; L297-Y366 HydrophobicContact CB-CE2 4.45Å; L297-Y366 HydrophobicContact CD1-CD2 4.11Å; L297-Y366 HydrophobicContact CD1-CE2 3.82Å; L297-Y366 HydrophobicContact CG-CD2 4.49Å; L297-Y366 HydrophobicContact CG-CE2 4.41Å; L297-A510 HydrophobicContact CD2-CB 4.32Å; L297-P515 HydrophobicContact CD2-CB 3.9Å
298	P	95.8	Very high	95.5	Very high	72 Å²	72	32.4 Å²	32.4	47%	0.468	15%	0.151	S	C	.	.	S	Bend	trans	-61.3	-33.9	-178.6	-24.4	32.8	0	0	0	114.5
299	Q	95.7	Very high	95.6	Very high	99 Å²	99	31.3 Å²	31.3	46%	0.463	15%	0.145	S	C	.	.	S	Bend	trans	-140.3	162.3	178.4	55.1	177.3	-11.6	0	0	111.7	L297 S301 K512 C513	L297-Q299 VanDerWaalsContact C-N 3.31Å; L297-Q299 PolarHBondContact O-N 2.87Å; Q299-S301 PolarHBondContact O-N 3.47Å; Q299-K512 PolarHBondContact NE2-O 3.23Å; Q299-C513 HydrophobicContact CG-CB 3.54Å
300	R	96.6	Very high	95.6	Very high	158 Å²	158	31.4 Å²	31.4	60%	0.596	15%	0.146	S	C	*	.			trans	-60.1	128.2	175.4	-176.3	-179.7	-58.7	-174.9	-0	109.8	E360 L361	R300-E360 WeakPolarHBondContact CD-OE1 3.35Å; R300-E360 HydrophobicContact CG-CG 4Å; R300-E360 WeakPolarHBondContact CG-OE1 3.48Å; R300-L361 CarbonylContact C-O 3.5Å; R300-L361 VanDerWaalsContact CA-O 3.28Å; R300-L361 WeakPolarHBondContact CA-O 3.35Å; R300-L361 WeakPolarHBondContact CG-O 3.23Å
301	S	95.6	Very high	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150.6	-174.7	-170.2	0	0	0	0	111	Q299 L361 E511 K512	Q299-S301 PolarHBondContact O-N 3.47Å; S301-L361 PolarHBondContact N-O 3.03Å; S301-L361 PolarHBondContact O-N 3.49Å; S301-E511 PolarHBondContact OG-N 3.4Å; S301-E511 VanDerWaalsContact OG-N 3.12Å; S301-K512 PolarHBondContact OG-N 3.48Å
302	T	95.7	Very high	94.6	Very high	34 Å²	34	36.8 Å²	36.8	21%	0.209	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.3	154.5	-38.8	0	0	0	0	107.7	W271 K358 A510 E511	W271-T302 HydrophobicContact CH2-CG2 3.56Å; W271-T302 HydrophobicContact CZ2-CG2 4.47Å; W271-T302 HydrophobicContact CZ3-CG2 4.22Å; T302-K358 HydrophobicContact CG2-CG 4.44Å; T302-A510 WeakPolarHBondContact O-CA 3.49Å; T302-E511 VanDerWaalsContact CB-OE2 3.3Å; T302-E511 WeakPolarHBondContact CB-OE2 3.23Å; T302-E511 PolarHBondContact O-N 2.87Å; T302-E511 PolarHBondContact OG1-OE2 3.45Å
303	V	95.2	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.8	-178	-172.2	0	0	0	0	109.3	L297 I305 K358 G359 L361 V508 Y509 A510	L297-V303 HydrophobicContact CD1-CG2 3.9Å; L297-V303 HydrophobicContact CD2-CG2 4.36Å; V303-I305 HydrophobicContact CG1-CD1 4.14Å; V303-I305 HydrophobicContact CG1-CG1 3.65Å; V303-K358 VanDerWaalsContact O-CA 3.28Å; V303-K358 WeakPolarHBondContact O-CA 3.49Å; V303-G359 PolarHBondContact N-O 2.91Å; V303-G359 PolarHBondContact O-N 3.44Å; V303-G359 VanDerWaalsContact O-N 3.09Å; V303-L361 HydrophobicContact CB-CD1 4.18Å; V303-L361 HydrophobicContact CB-CG 4.47Å; V303-L361 HydrophobicContact CG1-CD1 4.39Å; V303-L361 HydrophobicContact CG2-CB 4.08Å; V303-L361 HydrophobicContact CG2-CD1 4.06Å; V303-L361 HydrophobicContact CG2-CG 4.23Å; V303-V508 HydrophobicContact CG1-CG1 3.83Å; V303-Y509 CarbonylContact C-O 3.6Å; V303-Y509 VanDerWaalsContact CA-O 3.25Å; V303-Y509 WeakPolarHBondContact CA-O 3.32Å; V303-Y509 WeakPolarHBondContact CG1-O 3.02Å; V303-A510 HydrophobicContact CG2-CB 4.15Å
304	C	94.8	Very high	91.1	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.027	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.3	166.4	178.1	0	0	0	0	107.5	I263 W271 W357 Y509	I263-C304 HydrophobicContact CD1-CB 4.45Å; I263-C304 WeakPolarHBondContact CD1-SG 3.27Å; W271-C304 HydrophobicContact CZ3-CB 4.26Å; C304-W357 WeakPolarHBondContact CA-O 3.43Å; C304-Y509 HydrophobicContact CB-CD2 4.44Å; C304-Y509 PolarHBondContact N-O 3.46Å; C304-Y509 PolarHBondContact O-N 2.9Å
305	I	96	Very high	88.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.6	178.6	-54.1	-178.2	0	0	0	107.7	L295 V303 L329 V331 G356 W357 L361 L368 I506 D507 V508	L295-I305 HydrophobicContact CD2-CD1 4.12Å; V303-I305 HydrophobicContact CG1-CD1 4.14Å; V303-I305 HydrophobicContact CG1-CG1 3.65Å; I305-L329 HydrophobicContact CG2-CD2 3.65Å; I305-V331 HydrophobicContact CD1-CG2 3.95Å; I305-G356 CarbonylContact O-C 3.59Å; I305-G356 VanDerWaalsContact O-CA 3.32Å; I305-G356 WeakPolarHBondContact O-CA 3.37Å; I305-W357 HydrophobicContact CD1-CE3 4.32Å; I305-W357 HydrophobicContact CD1-CZ3 4.43Å; I305-W357 HydrophobicContact CG1-CE3 4.42Å; I305-W357 PolarHBondContact N-O 3.44Å; I305-W357 PolarHBondContact O-N 2.96Å; I305-L361 HydrophobicContact CD1-CD1 4.37Å; I305-L368 HydrophobicContact CD1-CD2 4.29Å; I305-I506 HydrophobicContact CG2-CG2 4.42Å; I305-D507 WeakPolarHBondContact CA-O 3.03Å; I305-V508 HydrophobicContact CG1-CG1 4.32Å; I305-V508 HydrophobicContact CG1-CG2 4.5Å; I305-V508 HydrophobicContact CG2-CG2 4.31Å
306	T	95.6	Very high	86.1	Confident	9 Å²	9	53.9 Å²	53.9	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.1	175.1	49.4	0	0	0	0	111.7	M354 F355 I506 D507	T306-M354 HydrophobicContact CG2-CG 4.05Å; T306-M354 HydrophobicContact CG2-SD 3.76Å; T306-F355 CarbonylContact C-O 3.52Å; T306-F355 VanDerWaalsContact CA-O 3.27Å; T306-F355 WeakPolarHBondContact CA-O 3.36Å; T306-I506 CarbonylContact O-C 3.51Å; T306-I506 VanDerWaalsContact O-CA 3.3Å; T306-I506 WeakPolarHBondContact O-CA 3.5Å; T306-D507 PolarHBondContact N-O 3.29Å; T306-D507 PolarHBondContact O-N 3.03Å; T306-D507 WeakPolarHBondContact OG1-CB 3.44Å; T306-D507 PolarHBondContact OG1-OD2 3.25Å
307	I	96.4	Very high	83.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.8	168.5	-173.4	170.5	0	0	0	108.8	L329 T347 F355 P370 F504 V505 I506	I307-L329 HydrophobicContact CB-CB 4.29Å; I307-L329 HydrophobicContact CD1-CB 4.33Å; I307-L329 HydrophobicContact CD1-CD1 4.41Å; I307-L329 HydrophobicContact CG2-CB 3.99Å; I307-T347 HydrophobicContact CG2-CG2 4.45Å; I307-T347 WeakPolarHBondContact CG2-OG1 3.33Å; I307-F355 HydrophobicContact CG2-CB 4.02Å; I307-F355 PolarHBondContact N-O 3.28Å; I307-F355 PolarHBondContact O-N 3.28Å; I307-P370 HydrophobicContact CD1-CB 4.31Å; I307-F504 HydrophobicContact CD1-CD2 3.95Å; I307-F504 HydrophobicContact CD1-CE2 4.32Å; I307-F504 HydrophobicContact CD1-CG 4.27Å; I307-F504 HydrophobicContact CG1-CB 4.45Å; I307-F504 HydrophobicContact CG1-CD2 4.23Å; I307-V505 WeakPolarHBondContact CA-O 3.19Å; I307-I506 HydrophobicContact CB-CG1 4.39Å; I307-I506 HydrophobicContact CD1-CG1 4.13Å; I307-I506 HydrophobicContact CG1-CG1 4.09Å
308	K	93.8	Very high	81.8	Confident	74 Å²	74	61.2 Å²	61.2	32%	0.322	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	154.4	173.3	61.2	-179	176.2	-178.4	0	110.5	M354 F504 V505	K308-M354 HydrophobicContact CB-CB 4.19Å; K308-M354 HydrophobicContact CD-CE 3.92Å; K308-F504 CarbonylContact O-C 3.54Å; K308-F504 VanDerWaalsContact O-CA 3.23Å; K308-F504 WeakPolarHBondContact O-CA 3.35Å; K308-F504 VanDerWaalsContact O-CB 3.27Å; K308-F504 WeakPolarHBondContact O-CB 3.49Å; K308-V505 HydrophobicContact CD-CG1 4.13Å; K308-V505 HydrophobicContact CG-CG1 3.59Å; K308-V505 PolarHBondContact N-O 3.33Å; K308-V505 VanDerWaalsContact N-O 3.13Å; K308-V505 PolarHBondContact O-N 3.39Å
309	P	94.2	Very high	80.1	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.032	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	142.2	162.2	-26.1	35.9	0	0	0	111.9	L323 T327 E353 P503	P309-L323 HydrophobicContact CB-CD2 3.87Å; P309-T327 HydrophobicContact CG-CG2 3.93Å; P309-E353 WeakPolarHBondContact CD-O 3.49Å; P309-P503 CarbonylContact C-O 3.59Å; P309-P503 WeakPolarHBondContact CA-O 3.43Å
310	L	91.8	Very high	78.9	Confident	32 Å²	32	58 Å²	58	17%	0.168	32%	0.319	C	S	.	.			trans	-90.3	127.4	177.1	178.9	65.1	0	0	0	109	K277 L312 W322 P503	K277-L310 HydrophobicContact CD-CD2 3.98Å; L310-L312 HydrophobicContact CD2-CD2 3.66Å; L310-L312 HydrophobicContact CD2-CG 4.36Å; L310-L312 HydrophobicContact CG-CD2 3.9Å; L310-L312 HydrophobicContact CG-CG 4.29Å; L310-W322 PolarHBondContact O-NE1 3.34Å; L310-P503 HydrophobicContact CB-CB 3.95Å; L310-P503 HydrophobicContact CD2-CB 4.21Å; L310-P503 PolarHBondContact N-O 3.06Å
311	N	87.6	Confident	77.9	Confident	103 Å²	103	56.4 Å²	56.4	55%	0.551	32%	0.318	S	S	*	.			trans	-91.4	106.7	176	-173	0.5	0	0	0	109.4	C313 L323	N311-C313 WeakPolarHBondContact OD1-CB 3.33Å; N311-C313 PolarHBondContact OD1-N 3.15Å; N311-L323 HydrophobicContact CB-CD2 4.15Å
312	L	81.4	Confident	77.3	Confident	16 Å²	16	57.4 Å²	57.4	8%	0.084	32%	0.322	C	S	.	.			trans	-93.3	-17.5	179.5	-62.4	173.4	0	0	0	112.9	L310 Q314 W322 D411 E414 M498 P503	L310-L312 HydrophobicContact CD2-CD2 3.66Å; L310-L312 HydrophobicContact CD2-CG 4.36Å; L310-L312 HydrophobicContact CG-CD2 3.9Å; L310-L312 HydrophobicContact CG-CG 4.29Å; L312-Q314 WeakPolarHBondContact O-CG 3.43Å; L312-Q314 PolarHBondContact O-N 2.89Å; L312-W322 HydrophobicContact CB-CZ2 4.3Å; L312-W322 HydrophobicContact CD1-CZ2 4.21Å; L312-W322 HydrophobicContact CG-CZ2 4.46Å; L312-D411 HydrophobicContact CD1-CB 4.12Å; L312-E414 HydrophobicContact CD2-CB 3.67Å; L312-M498 HydrophobicContact CD1-CE 4.2Å; L312-P503 HydrophobicContact CD1-CB 4.23Å; L312-P503 HydrophobicContact CD1-CG 3.89Å
313	C	65.9	Low	76.8	Confident	48 Å²	48	57.1 Å²	57.1	32%	0.324	32%	0.319	S	S	.	.			trans	-56.9	103.9	-166.1	-82	0	0	0	0	113.5	N311 K318 C320	N311-C313 WeakPolarHBondContact OD1-CB 3.33Å; N311-C313 PolarHBondContact OD1-N 3.15Å; C313-K318 PolarHBondContact SG-O 2.8Å; C313-K318 VanDerWaalsContact SG-O 3.36Å; C313-C320 WeakPolarHBondContact CB-SG 3.27Å; C313-C320 PolarHBondContact N-SG 3.33Å; C313-C320 WeakPolarHBondContact SG-CB 3.5Å; C313-C320 PolarHBondContact SG-N 2.83Å; C313-C320 VanDerWaalsContact SG-N 3.38Å; C313-C320 CovalentContact SG-SG 2.05Å; C313-C320 PolarHBondContact SG-SG 2.73Å
314	Q	53.5	Low	76.3	Confident	136 Å²	136	60.1 Å²	60.1	64%	0.636	34%	0.34	S	S	*	.			trans	-87.3	-13.3	175.2	-59.5	-171.3	15.3	0	0	114.5	L312	L312-Q314 WeakPolarHBondContact O-CG 3.43Å; L312-Q314 PolarHBondContact O-N 2.89Å
315	A	49.3	Very low	76.1	Confident	63 Å²	63	60.2 Å²	60.2	52%	0.521	34%	0.34	S	S	.	.	S	Bend	trans	-99.2	121.5	-178.4	0	0	0	0	0	111.5	G317	A315-G317 PolarHBondContact O-N 3.23Å
316	E	40.2	Very low	75.9	Confident	206 Å²	206	60.4 Å²	60.4	96%	0.963	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	121.7	178.1	-65.8	-175.5	147	0	0	111.6
317	G	47.3	Very low	75.9	Confident	85 Å²	85	60 Å²	60	88%	0.876	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	-10.2	169.3	0	0	0	0	0	117.3	A315	A315-G317 PolarHBondContact O-N 3.23Å
318	K	55.7	Low	75.8	Confident	142 Å²	142	60 Å²	60	62%	0.617	34%	0.339	S	S	*	.			trans	-87	124.5	168.5	-76	-163.5	174.5	-162.9	0	110.5	C313 E497	C313-K318 PolarHBondContact SG-O 2.8Å; C313-K318 VanDerWaalsContact SG-O 3.36Å; K318-E497 IonicContact NZ-OE1 3.75Å
319	S	59.6	Low	75.9	Confident	94 Å²	94	56.5 Å²	56.5	66%	0.657	32%	0.324	S	S	*	.			trans	-84.8	117.3	173.8	55.8	0	0	0	0	111.3	H321	S319-H321 PolarHBondContact O-N 3.25Å; S319-H321 VanDerWaalsContact O-N 3.1Å
320	C	71.4	Confident	76	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.061	32%	0.323	C	S	.	.			trans	-59.9	109	174.6	-81.5	0	0	0	0	110.5	C313 W322 L323	C313-C320 WeakPolarHBondContact CB-SG 3.27Å; C313-C320 PolarHBondContact N-SG 3.33Å; C313-C320 WeakPolarHBondContact SG-CB 3.5Å; C313-C320 PolarHBondContact SG-N 2.83Å; C313-C320 VanDerWaalsContact SG-N 3.38Å; C313-C320 CovalentContact SG-SG 2.05Å; C313-C320 PolarHBondContact SG-SG 2.73Å; C320-W322 VanDerWaalsContact C-N 3.28Å; C320-W322 HydrophobicContact CB-CD2 4.21Å; C320-W322 HydrophobicContact CB-CE3 4.4Å; C320-W322 HydrophobicContact CB-CH2 3.89Å; C320-W322 HydrophobicContact CB-CZ2 3.67Å; C320-W322 HydrophobicContact CB-CZ3 4.23Å; C320-W322 PolarHBondContact O-N 3.01Å; C320-W322 WeakPolarHBondContact SG-CH2 3.28Å; C320-W322 WeakPolarHBondContact SG-CZ2 3.46Å; C320-L323 HydrophobicContact CB-CD1 3.85Å; C320-L323 HydrophobicContact CB-CG 3.8Å; C320-L323 WeakPolarHBondContact O-CB 3.42Å; C320-L323 WeakPolarHBondContact O-CG 3.32Å; C320-L323 PolarHBondContact O-N 3Å; C320-L323 VanDerWaalsContact O-N 3.15Å
321	H	74.6	Confident	76.3	Confident	125 Å²	125	55 Å²	55	58%	0.579	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.2	-34.4	-169.5	-74.9	-79.1	0	0	0	114.2	S319 L323 S324	S319-H321 PolarHBondContact O-N 3.25Å; S319-H321 VanDerWaalsContact O-N 3.1Å; H321-L323 VanDerWaalsContact C-N 3.26Å; H321-L323 PolarHBondContact O-N 2.97Å; H321-S324 PolarHBondContact O-N 3.3Å; H321-S324 PolarHBondContact O-OG 2.81Å
322	W	84	Confident	76.7	Confident	20 Å²	20	50.4 Å²	50.4	8%	0.076	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-71.5	-12.6	-178.8	61.1	89.4	0	0	0	114.3	L310 L312 C320 S324 V325 M498 C502	L310-W322 PolarHBondContact O-NE1 3.34Å; L312-W322 HydrophobicContact CB-CZ2 4.3Å; L312-W322 HydrophobicContact CD1-CZ2 4.21Å; L312-W322 HydrophobicContact CG-CZ2 4.46Å; C320-W322 VanDerWaalsContact C-N 3.28Å; C320-W322 HydrophobicContact CB-CD2 4.21Å; C320-W322 HydrophobicContact CB-CE3 4.4Å; C320-W322 HydrophobicContact CB-CH2 3.89Å; C320-W322 HydrophobicContact CB-CZ2 3.67Å; C320-W322 HydrophobicContact CB-CZ3 4.23Å; C320-W322 PolarHBondContact O-N 3.01Å; C320-W322 WeakPolarHBondContact SG-CH2 3.28Å; C320-W322 WeakPolarHBondContact SG-CZ2 3.46Å; W322-S324 PolarHBondContact O-N 2.78Å; W322-S324 VanDerWaalsContact O-N 3.07Å; W322-V325 HydrophobicContact CB-CG2 4.34Å; W322-V325 VanDerWaalsContact O-CB 3.23Å; W322-V325 WeakPolarHBondContact O-CB 3.46Å; W322-V325 WeakPolarHBondContact O-CG2 3.48Å; W322-V325 PolarHBondContact O-N 3.25Å; W322-M498 HydrophobicContact CE3-CB 4.27Å; W322-M498 HydrophobicContact CE3-CG 4.45Å; W322-M498 HydrophobicContact CE3-SD 4.37Å; W322-M498 HydrophobicContact CH2-CB 4.25Å; W322-M498 HydrophobicContact CH2-SD 4.36Å; W322-M498 HydrophobicContact CZ2-SD 4.48Å; W322-M498 HydrophobicContact CZ3-CB 3.74Å; W322-M498 HydrophobicContact CZ3-CG 4.34Å; W322-M498 WeakPolarHBondContact CZ3-O 3.48Å; W322-M498 HydrophobicContact CZ3-SD 4.32Å; W322-C502 HydrophobicContact CB-CB 3.87Å
323	L	84.8	Confident	77.2	Confident	29 Å²	29	53.1 Å²	53.1	15%	0.152	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-59.2	-22.6	174.5	-64.6	179.1	0	0	0	112.6	P309 N311 C320 H321 V325	P309-L323 HydrophobicContact CB-CD2 3.87Å; N311-L323 HydrophobicContact CB-CD2 4.15Å; C320-L323 HydrophobicContact CB-CD1 3.85Å; C320-L323 HydrophobicContact CB-CG 3.8Å; C320-L323 WeakPolarHBondContact O-CB 3.42Å; C320-L323 WeakPolarHBondContact O-CG 3.32Å; C320-L323 PolarHBondContact O-N 3Å; C320-L323 VanDerWaalsContact O-N 3.15Å; H321-L323 VanDerWaalsContact C-N 3.26Å; H321-L323 PolarHBondContact O-N 2.97Å; L323-V325 VanDerWaalsContact C-N 3.33Å
324	S	84.9	Confident	78.1	Confident	63 Å²	63	52.6 Å²	52.6	44%	0.441	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-75.4	-16.3	175.1	70	0	0	0	0	114.3	H321 W322 K376	H321-S324 PolarHBondContact O-N 3.3Å; H321-S324 PolarHBondContact O-OG 2.81Å; W322-S324 PolarHBondContact O-N 2.78Å; W322-S324 VanDerWaalsContact O-N 3.07Å; S324-K376 WeakPolarHBondContact O-CD 3.34Å; S324-K376 WeakPolarHBondContact O-CE 3.46Å; S324-K376 PolarHBondContact O-NZ 2.96Å
325	V	91.1	Very high	79.3	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.036	28%	0.279	C	S	.	.	S	Bend	trans	-69.3	131.7	-175	175.9	0	0	0	0	110.4	W322 L323 T372 K376 L377 C502	W322-V325 HydrophobicContact CB-CG2 4.34Å; W322-V325 VanDerWaalsContact O-CB 3.23Å; W322-V325 WeakPolarHBondContact O-CB 3.46Å; W322-V325 WeakPolarHBondContact O-CG2 3.48Å; W322-V325 PolarHBondContact O-N 3.25Å; L323-V325 VanDerWaalsContact C-N 3.33Å; V325-T372 VanDerWaalsContact CG1-OG1 3.29Å; V325-T372 WeakPolarHBondContact CG1-OG1 3.48Å; V325-K376 HydrophobicContact CG2-CB 4.4Å; V325-L377 HydrophobicContact CG1-CB 4.17Å; V325-L377 HydrophobicContact CG2-CB 4.03Å; V325-C502 HydrophobicContact CB-CB 4.41Å; V325-C502 HydrophobicContact CG1-CB 4.32Å; V325-C502 HydrophobicContact CG2-CB 4.33Å
326	D	91.9	Very high	80.1	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	30%	0.3	C	S	.	.			trans	-73.2	137.6	176.5	87.6	-68.7	0	0	0	110.7	T372 T373 I561 R562 M612	D326-T372 WeakPolarHBondContact O-CA 3.48Å; D326-T372 WeakPolarHBondContact O-CB 3.46Å; D326-T372 PolarHBondContact O-OG1 2.88Å; D326-T372 PolarHBondContact OD1-OG1 3.07Å; D326-T373 VanDerWaalsContact OD1-CB 3.32Å; D326-T373 WeakPolarHBondContact OD1-CB 3.35Å; D326-T373 WeakPolarHBondContact OD1-CG2 3.37Å; D326-T373 PolarHBondContact OD1-N 2.91Å; D326-T373 PolarHBondContact OD1-OG1 3.35Å; D326-T373 VanDerWaalsContact OD2-CG2 3.32Å; D326-T373 WeakPolarHBondContact OD2-CG2 3.48Å; D326-I561 HydrophobicContact CB-CD1 4.46Å; D326-R562 IonicContact OD2-CZ 2.73Å; D326-R562 IonicContact OD2-NH1 3.47Å; D326-R562 PolarHBondContact OD2-NH1 3.4Å; D326-M612 HydrophobicContact CB-CE 3.78Å; D326-M612 HydrophobicContact CB-SD 3.77Å
327	T	93.9	Very high	81	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.28	C	S	.	.			trans	-123.7	144.6	177.4	68.8	0	0	0	0	109.6	F280 P309 F355 F371	F280-T327 HydrophobicContact CE2-CG2 3.91Å; P309-T327 HydrophobicContact CG-CG2 3.93Å; T327-F355 WeakPolarHBondContact O-CB 3.35Å; T327-F355 WeakPolarHBondContact O-CD2 3.33Å; T327-F355 WeakPolarHBondContact O-CG 3.05Å; T327-F355 WeakPolarHBondContact OG1-CD2 3.25Å; T327-F371 CarbonylContact C-O 3.6Å; T327-F371 WeakPolarHBondContact CA-O 3.47Å
328	A	94.8	Very high	81.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	163.9	166.4	0	0	0	0	0	109.2	T347 P370 F371	A328-T347 VanDerWaalsContact CA-OG1 3.32Å; A328-T347 WeakPolarHBondContact CA-OG1 3.36Å; A328-P370 CarbonylContact O-C 3.56Å; A328-P370 WeakPolarHBondContact O-CA 3.39Å; A328-F371 HydrophobicContact CB-CD1 4.16Å; A328-F371 PolarHBondContact N-O 2.89Å; A328-F371 PolarHBondContact O-N 2.85Å
329	L	96.4	Very high	81.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114.4	-177.3	-170.3	64.9	0	0	0	108.2	I305 I307 F346 T347 L368 P370 I506	I305-L329 HydrophobicContact CG2-CD2 3.65Å; I307-L329 HydrophobicContact CB-CB 4.29Å; I307-L329 HydrophobicContact CD1-CB 4.33Å; I307-L329 HydrophobicContact CD1-CD1 4.41Å; I307-L329 HydrophobicContact CG2-CB 3.99Å; L329-F346 CarbonylContact O-C 3.59Å; L329-F346 WeakPolarHBondContact O-CA 3.24Å; L329-T347 HydrophobicContact CB-CG2 4.07Å; L329-T347 PolarHBondContact N-OG1 2.9Å; L329-T347 PolarHBondContact O-N 3.34Å; L329-L368 HydrophobicContact CD1-CB 3.86Å; L329-L368 HydrophobicContact CD2-CB 4.19Å; L329-L368 HydrophobicContact CD2-CD1 4.3Å; L329-L368 HydrophobicContact CG-CB 4.08Å; L329-P370 HydrophobicContact CD1-CB 4.22Å; L329-P370 HydrophobicContact CD1-CG 3.83Å; L329-I506 HydrophobicContact CD1-CD1 3.77Å; L329-I506 HydrophobicContact CD2-CB 4.47Å; L329-I506 HydrophobicContact CD2-CD1 3.9Å; L329-I506 HydrophobicContact CD2-CG1 4.06Å; L329-I506 HydrophobicContact CD2-CG2 3.59Å
330	Y	96.9	Very high	82	Confident	7 Å²	7	50.3 Å²	50.3	3%	0.027	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.4	176.3	-76.1	-97.1	0	0	0	109.6	L343 F346 L368 L369 F371 L529 A532 I533 S536	Y330-L343 HydrophobicContact CD1-CD1 3.92Å; Y330-F346 HydrophobicContact CD1-CB 3.61Å; Y330-F346 HydrophobicContact CD1-CD1 4.49Å; Y330-F346 HydrophobicContact CD1-CG 4.2Å; Y330-F346 HydrophobicContact CD2-CB 4.37Å; Y330-F346 HydrophobicContact CE1-CB 3.8Å; Y330-F346 HydrophobicContact CE1-CD1 4.12Å; Y330-F346 HydrophobicContact CE1-CD2 4.49Å; Y330-F346 AromaticContact CE1-CG 3.89Å; Y330-F346 HydrophobicContact CE1-CG 3.89Å; Y330-F346 HydrophobicContact CG-CB 3.91Å; Y330-L368 WeakPolarHBondContact O-CA 3.19Å; Y330-L369 PolarHBondContact N-O 3.17Å; Y330-L369 PolarHBondContact O-N 3.35Å; Y330-F371 HydrophobicContact CD2-CB 3.92Å; Y330-F371 HydrophobicContact CD2-CG 4.45Å; Y330-F371 HydrophobicContact CE2-CB 3.84Å; Y330-F371 HydrophobicContact CE2-CD1 4.06Å; Y330-F371 AromaticContact CE2-CG 3.88Å; Y330-F371 HydrophobicContact CE2-CG 3.88Å; Y330-L529 HydrophobicContact CD2-CD1 3.59Å; Y330-L529 HydrophobicContact CE2-CD1 4.14Å; Y330-L529 HydrophobicContact CG-CD1 4.07Å; Y330-A532 HydrophobicContact CD1-CB 3.75Å; Y330-A532 HydrophobicContact CE1-CB 4.31Å; Y330-A532 HydrophobicContact CG-CB 4.25Å; Y330-I533 HydrophobicContact CE1-CG1 4.28Å; Y330-I533 HydrophobicContact CE2-CG1 3.84Å; Y330-S536 PolarHBondContact OH-OG 2.82Å
331	V	97.3	Very high	82.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.6	-179.2	-173.7	0	0	0	0	108.3	I305 I344 S345 Y366 L368	I305-V331 HydrophobicContact CD1-CG2 3.95Å; V331-I344 WeakPolarHBondContact O-CB 3.46Å; V331-I344 PolarHBondContact O-N 3.16Å; V331-S345 PolarHBondContact N-O 2.98Å; V331-S345 PolarHBondContact O-N 3.08Å; V331-Y366 HydrophobicContact CG1-CD1 4.32Å; V331-L368 HydrophobicContact CB-CD2 4.35Å; V331-L368 HydrophobicContact CG1-CD2 4.05Å; V331-L368 HydrophobicContact CG2-CD2 3.98Å
332	L	95.2	Very high	83.3	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145	178.3	-63.3	76.1	0	0	0	110.1	L341 Q342 Y366 W367 L369 A532	L332-L341 HydrophobicContact CB-CB 3.99Å; L332-L341 HydrophobicContact CB-CD1 4.2Å; L332-L341 HydrophobicContact CD2-CB 3.63Å; L332-L341 HydrophobicContact CD2-CD1 4.01Å; L332-L341 HydrophobicContact CG-CB 4.46Å; L332-Q342 CarbonylContact C-O 3.59Å; L332-Q342 WeakPolarHBondContact CA-O 3.35Å; L332-Y366 CarbonylContact O-C 3.45Å; L332-Y366 WeakPolarHBondContact O-CA 3.28Å; L332-Y366 WeakPolarHBondContact O-CB 3.37Å; L332-W367 HydrophobicContact CB-CB 4.46Å; L332-W367 PolarHBondContact N-O 2.96Å; L332-W367 PolarHBondContact O-N 3.12Å; L332-L369 HydrophobicContact CD1-CD1 3.68Å; L332-L369 HydrophobicContact CD1-CG 3.98Å; L332-L369 HydrophobicContact CD2-CD1 4.14Å; L332-A532 HydrophobicContact CD1-CB 4.29Å; L332-A532 HydrophobicContact CD2-CB 4.34Å
333	K	92.9	Very high	83.8	Confident	73 Å²	73	49.7 Å²	49.7	32%	0.317	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.9	174.8	-169.5	-179.7	177.5	-168.1	0	110.8	Q342 I344 Y366	K333-Q342 PolarHBondContact N-O 3.44Å; K333-Q342 PolarHBondContact O-N 3.45Å; K333-I344 HydrophobicContact CB-CD1 3.8Å; K333-I344 HydrophobicContact CB-CG1 3.74Å; K333-Y366 HydrophobicContact CB-CD1 3.88Å; K333-Y366 HydrophobicContact CB-CE1 3.82Å; K333-Y366 HydrophobicContact CD-CE1 4.02Å; K333-Y366 HydrophobicContact CG-CD1 4.06Å; K333-Y366 HydrophobicContact CG-CE1 3.71Å
334	E	84.9	Confident	84.3	Confident	38 Å²	38	51.4 Å²	51.4	18%	0.178	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-72.4	125.9	170.4	-163.8	168.5	171.4	0	0	109.8	R294 Q338 L341 V365	R294-E334 IonicContact CZ-OE2 2.92Å; R294-E334 IonicContact NE-OE2 3.56Å; R294-E334 IonicContact NH2-OE1 2.67Å; R294-E334 PolarHBondContact NH2-OE1 3.05Å; R294-E334 IonicContact NH2-OE2 3.15Å; R294-E334 PolarHBondContact NH2-OE2 3.13Å; E334-Q338 PolarHBondContact OE1-NE2 2.85Å; E334-L341 HydrophobicContact CB-CD2 4.34Å; E334-L341 HydrophobicContact CG-CD2 4.41Å; E334-V365 PolarHBondContact N-O 2.87Å
335	N	77.8	Confident	84.7	Confident	58 Å²	58	49 Å²	49	31%	0.31	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-99.8	161.2	176.8	-75.6	-29.6	0	0	0	110.3	S337 Q338 N340	N335-S337 PolarHBondContact O-N 3.19Å; N335-Q338 PolarHBondContact O-N 3.42Å; N335-N340 PolarHBondContact ND2-O 3.17Å
336	E	66.4	Low	84.9	Confident	208 Å²	208	49 Å²	49	97%	0.972	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.2	-173.7	-64.1	177.6	175.3	0	0	114.7
337	S	59.5	Low	84.9	Confident	75 Å²	75	48.8 Å²	48.8	52%	0.524	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.4	178.9	64.9	0	0	0	0	115.6	N335 E339	N335-S337 PolarHBondContact O-N 3.19Å; S337-E339 PolarHBondContact O-N 3.37Å
338	Q	58.8	Low	84.4	Confident	129 Å²	129	51.4 Å²	51.4	60%	0.603	26%	0.255	S	S	*	.	S	Bend	trans	57.4	-28.6	-175.4	-60.4	-168.2	-55.7	0	0	117.7	E334 N335 N340	E334-Q338 PolarHBondContact OE1-NE2 2.85Å; N335-Q338 PolarHBondContact O-N 3.42Å; Q338-N340 VanDerWaalsContact C-N 3.31Å; Q338-N340 PolarHBondContact O-N 2.93Å
339	E	57.9	Low	83.8	Confident	144 Å²	144	54.9 Å²	54.9	67%	0.673	27%	0.271	S	S	*	.	S	Bend	trans	-68.1	-23.9	-177.3	-66.2	179.8	161	0	0	114.3	S337 W527	S337-E339 PolarHBondContact O-N 3.37Å; E339-W527 WeakPolarHBondContact O-CH2 3.13Å
340	N	67.5	Low	83.1	Confident	63 Å²	63	57.2 Å²	57.2	34%	0.337	28%	0.282	S	S	.	.	S	Bend	trans	-130	88.2	-171.3	-84	-74	0	0	0	112	N335 Q338 R531	N335-N340 PolarHBondContact ND2-O 3.17Å; Q338-N340 VanDerWaalsContact C-N 3.31Å; Q338-N340 PolarHBondContact O-N 2.93Å; N340-R531 VanDerWaalsContact OD1-CZ 3.3Å; N340-R531 PolarHBondContact OD1-NH1 2.87Å; N340-R531 PolarHBondContact OD1-NH2 3.32Å
341	L	83.2	Confident	82.2	Confident	12 Å²	12	59.4 Å²	59.4	6%	0.063	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-64.9	135.7	172.1	-60.7	-171	0	0	0	112.2	L332 E334 W367	L332-L341 HydrophobicContact CB-CB 3.99Å; L332-L341 HydrophobicContact CB-CD1 4.2Å; L332-L341 HydrophobicContact CD2-CB 3.63Å; L332-L341 HydrophobicContact CD2-CD1 4.01Å; L332-L341 HydrophobicContact CG-CB 4.46Å; E334-L341 HydrophobicContact CB-CD2 4.34Å; E334-L341 HydrophobicContact CG-CD2 4.41Å; L341-W367 HydrophobicContact CD1-CB 3.84Å; L341-W367 HydrophobicContact CD1-CD2 4.39Å; L341-W367 HydrophobicContact CD1-CG 3.65Å; L341-W367 HydrophobicContact CD2-CG 4.47Å
342	Q	89.9	Confident	81.3	Confident	100 Å²	100	67.3 Å²	67.3	47%	0.467	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.9	176	-177	179.9	16.8	0	0	110.4	L332 K333 I344	L332-Q342 CarbonylContact C-O 3.59Å; L332-Q342 WeakPolarHBondContact CA-O 3.35Å; K333-Q342 PolarHBondContact N-O 3.44Å; K333-Q342 PolarHBondContact O-N 3.45Å; Q342-I344 HydrophobicContact CG-CD1 4.19Å; Q342-I344 PolarHBondContact O-N 2.79Å
343	L	93.9	Very high	80.6	Confident	30 Å²	30	71.4 Å²	71.4	16%	0.157	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	122.4	168.4	176.5	63	0	0	0	110.1	Y330 S345 A532 K535	Y330-L343 HydrophobicContact CD1-CD1 3.92Å; L343-S345 WeakPolarHBondContact CD1-O 3.46Å; L343-A532 HydrophobicContact CD1-CB 4.3Å; L343-A532 WeakPolarHBondContact CD2-O 3.45Å; L343-K535 HydrophobicContact CD2-CB 3.87Å
344	I	94.9	Very high	80.3	Confident	64 Å²	64	70.5 Å²	70.5	33%	0.328	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-53.2	174.6	-57.3	-56.9	0	0	0	110.1	V331 K333 Q342 L361 Y366	V331-I344 WeakPolarHBondContact O-CB 3.46Å; V331-I344 PolarHBondContact O-N 3.16Å; K333-I344 HydrophobicContact CB-CD1 3.8Å; K333-I344 HydrophobicContact CB-CG1 3.74Å; Q342-I344 HydrophobicContact CG-CD1 4.19Å; Q342-I344 PolarHBondContact O-N 2.79Å; I344-L361 HydrophobicContact CG2-CD2 3.81Å; I344-Y366 HydrophobicContact CG1-CD1 4.46Å; I344-Y366 HydrophobicContact CG1-CE1 4.34Å
345	S	94.3	Very high	80.6	Confident	14 Å²	14	69.1 Å²	69.1	10%	0.098	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	-174.7	178.7	-161.7	0	0	0	0	111.2	V331 L343 W357	V331-S345 PolarHBondContact N-O 2.98Å; V331-S345 PolarHBondContact O-N 3.08Å; L343-S345 WeakPolarHBondContact CD1-O 3.46Å; S345-W357 PolarHBondContact OG-NE1 3.22Å
346	F	94.6	Very high	81.3	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.5	170.2	60.7	-78.7	0	0	0	110.1	L329 Y330 E348 S536 K540 Y557	L329-F346 CarbonylContact O-C 3.59Å; L329-F346 WeakPolarHBondContact O-CA 3.24Å; Y330-F346 HydrophobicContact CD1-CB 3.61Å; Y330-F346 HydrophobicContact CD1-CD1 4.49Å; Y330-F346 HydrophobicContact CD1-CG 4.2Å; Y330-F346 HydrophobicContact CD2-CB 4.37Å; Y330-F346 HydrophobicContact CE1-CB 3.8Å; Y330-F346 HydrophobicContact CE1-CD1 4.12Å; Y330-F346 HydrophobicContact CE1-CD2 4.49Å; Y330-F346 AromaticContact CE1-CG 3.89Å; Y330-F346 HydrophobicContact CE1-CG 3.89Å; Y330-F346 HydrophobicContact CG-CB 3.91Å; F346-E348 HydrophobicContact CD2-CB 3.91Å; F346-E348 HydrophobicContact CE2-CB 3.52Å; F346-E348 HydrophobicContact CE2-CG 4.49Å; F346-E348 HydrophobicContact CZ-CB 4.21Å; F346-E348 WeakPolarHBondContact CZ-OE2 3.3Å; F346-E348 PolarHBondContact O-N 3.35Å; F346-S536 VanDerWaalsContact CE1-CB 3.47Å; F346-K540 HydrophobicContact CE1-CD 4.13Å; F346-K540 HydrophobicContact CZ-CD 4.08Å; F346-Y557 HydrophobicContact CE2-CE1 4.18Å; F346-Y557 AromaticContact CZ-CE1 3.91Å; F346-Y557 HydrophobicContact CZ-CE1 3.91Å
347	T	92.7	Very high	82.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.			trans	-70.9	120	173.2	59.2	0	0	0	0	110.4	I307 A328 L329 W357	I307-T347 HydrophobicContact CG2-CG2 4.45Å; I307-T347 WeakPolarHBondContact CG2-OG1 3.33Å; A328-T347 VanDerWaalsContact CA-OG1 3.32Å; A328-T347 WeakPolarHBondContact CA-OG1 3.36Å; L329-T347 HydrophobicContact CB-CG2 4.07Å; L329-T347 PolarHBondContact N-OG1 2.9Å; L329-T347 PolarHBondContact O-N 3.34Å; T347-W357 HydrophobicContact CG2-CB 4.09Å
348	E	82.9	Confident	84.2	Confident	56 Å²	56	58 Å²	58	26%	0.262	27%	0.274	S	S	.	.			trans	-138	-19.3	-173.4	75.8	-174.1	160.1	0	0	113.3	F346 G356 K540 Y557	F346-E348 HydrophobicContact CD2-CB 3.91Å; F346-E348 HydrophobicContact CE2-CB 3.52Å; F346-E348 HydrophobicContact CE2-CG 4.49Å; F346-E348 HydrophobicContact CZ-CB 4.21Å; F346-E348 WeakPolarHBondContact CZ-OE2 3.3Å; F346-E348 PolarHBondContact O-N 3.35Å; E348-G356 PolarHBondContact N-O 2.89Å; E348-K540 IonicContact OE1-NZ 3.39Å; E348-K540 PolarHBondContact OE1-NZ 3.34Å; E348-K540 IonicContact OE2-NZ 2.74Å; E348-K540 PolarHBondContact OE2-NZ 3.36Å; E348-Y557 PolarHBondContact OE2-OH 2.8Å
349	Q	82.9	Confident	85.9	Confident	73 Å²	73	52.7 Å²	52.7	34%	0.341	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.5	175.3	-53.1	-178.2	-10.7	0	0	107.2	L262 F355 G356	L262-Q349 HydrophobicContact CD1-CB 3.56Å; L262-Q349 HydrophobicContact CD2-CB 4.4Å; L262-Q349 HydrophobicContact CG-CB 3.96Å; Q349-F355 CarbonylContact O-C 3.6Å; Q349-F355 VanDerWaalsContact O-CA 3.32Å; Q349-F355 WeakPolarHBondContact O-CA 3.44Å; Q349-G356 WeakPolarHBondContact CB-O 3.4Å; Q349-G356 PolarHBondContact N-O 3.18Å; Q349-G356 VanDerWaalsContact N-O 3.16Å; Q349-G356 PolarHBondContact O-N 2.99Å
350	Q	80.1	Confident	87.7	Confident	48 Å²	48	51.5 Å²	51.5	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.8	-178.3	-172.8	179.7	1.6	0	0	112.8	L262 K352 M354 F355 I561	L262-Q350 VanDerWaalsContact CD1-C 3.46Å; L262-Q350 VanDerWaalsContact CD1-O 3.32Å; L262-Q350 WeakPolarHBondContact CD1-O 3.26Å; Q350-K352 WeakPolarHBondContact CG-O 3.35Å; Q350-K352 PolarHBondContact NE2-O 3.33Å; Q350-M354 CarbonylContact C-O 3.59Å; Q350-M354 WeakPolarHBondContact CA-O 3.47Å; Q350-F355 HydrophobicContact CB-CD1 3.91Å; Q350-F355 HydrophobicContact CB-CE1 3.67Å; Q350-F355 HydrophobicContact CB-CZ 4.38Å; Q350-F355 VanDerWaalsContact CD-CE1 3.44Å; Q350-F355 HydrophobicContact CG-CD1 4.03Å; Q350-F355 HydrophobicContact CG-CE1 3.5Å; Q350-F355 HydrophobicContact CG-CE2 4.33Å; Q350-F355 HydrophobicContact CG-CZ 3.69Å; Q350-I561 VanDerWaalsContact OE1-CG1 3.23Å
351	N	78.3	Confident	89.1	Confident	54 Å²	54	48.6 Å²	48.6	29%	0.289	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	105.5	164.9	-178.3	4.6	0	0	0	108.7	L262 E353 M354	L262-N351 HydrophobicContact CB-CB 4.06Å; L262-N351 HydrophobicContact CD1-CB 4.08Å; L262-N351 HydrophobicContact CD2-CB 3.87Å; L262-N351 HydrophobicContact CG-CB 4.22Å; N351-E353 PolarHBondContact O-N 3.14Å; N351-M354 PolarHBondContact N-O 3.39Å; N351-M354 WeakPolarHBondContact O-CB 3.44Å; N351-M354 PolarHBondContact O-N 2.88Å
352	K	79.3	Confident	89.7	Confident	165 Å²	165	49.1 Å²	49.1	72%	0.717	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	-121.4	-169	-55.5	179.8	179.1	-176	0	110.5	Q350 M354	Q350-K352 WeakPolarHBondContact CG-O 3.35Å; Q350-K352 PolarHBondContact NE2-O 3.33Å; K352-M354 VanDerWaalsContact C-N 3.34Å
353	E	81.2	Confident	89.9	Confident	92 Å²	92	47.7 Å²	47.7	43%	0.43	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.4	-179.9	-62.6	162.6	-169.7	0	0	113	P309 N351 F355	P309-E353 WeakPolarHBondContact CD-O 3.49Å; N351-E353 PolarHBondContact O-N 3.14Å; E353-F355 WeakPolarHBondContact O-CD2 3.47Å
354	M	86.6	Confident	89.9	Confident	54 Å²	54	47.5 Å²	47.5	27%	0.266	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.8	-176.9	-178.4	-173.3	-78.6	0	0	112	T306 K308 Q350 N351 K352	T306-M354 HydrophobicContact CG2-CG 4.05Å; T306-M354 HydrophobicContact CG2-SD 3.76Å; K308-M354 HydrophobicContact CB-CB 4.19Å; K308-M354 HydrophobicContact CD-CE 3.92Å; Q350-M354 CarbonylContact C-O 3.59Å; Q350-M354 WeakPolarHBondContact CA-O 3.47Å; N351-M354 PolarHBondContact N-O 3.39Å; N351-M354 WeakPolarHBondContact O-CB 3.44Å; N351-M354 PolarHBondContact O-N 2.88Å; K352-M354 VanDerWaalsContact C-N 3.34Å
355	F	90.9	Very high	89.9	Confident	8 Å²	8	46 Å²	46	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.3	175.6	-65	-93	0	0	0	110.4	T306 I307 T327 Q349 Q350 E353 I561	T306-F355 CarbonylContact C-O 3.52Å; T306-F355 VanDerWaalsContact CA-O 3.27Å; T306-F355 WeakPolarHBondContact CA-O 3.36Å; I307-F355 HydrophobicContact CG2-CB 4.02Å; I307-F355 PolarHBondContact N-O 3.28Å; I307-F355 PolarHBondContact O-N 3.28Å; T327-F355 WeakPolarHBondContact O-CB 3.35Å; T327-F355 WeakPolarHBondContact O-CD2 3.33Å; T327-F355 WeakPolarHBondContact O-CG 3.05Å; T327-F355 WeakPolarHBondContact OG1-CD2 3.25Å; Q349-F355 CarbonylContact O-C 3.6Å; Q349-F355 VanDerWaalsContact O-CA 3.32Å; Q349-F355 WeakPolarHBondContact O-CA 3.44Å; Q350-F355 HydrophobicContact CB-CD1 3.91Å; Q350-F355 HydrophobicContact CB-CE1 3.67Å; Q350-F355 HydrophobicContact CB-CZ 4.38Å; Q350-F355 VanDerWaalsContact CD-CE1 3.44Å; Q350-F355 HydrophobicContact CG-CD1 4.03Å; Q350-F355 HydrophobicContact CG-CE1 3.5Å; Q350-F355 HydrophobicContact CG-CE2 4.33Å; Q350-F355 HydrophobicContact CG-CZ 3.69Å; E353-F355 WeakPolarHBondContact O-CD2 3.47Å; F355-I561 HydrophobicContact CE1-CD1 3.54Å; F355-I561 HydrophobicContact CE1-CG1 4.48Å; F355-I561 HydrophobicContact CZ-CD1 3.56Å
356	G	92.4	Very high	90	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	159.1	-174	0	0	0	0	0	114.5	I305 E348 Q349	I305-G356 CarbonylContact O-C 3.59Å; I305-G356 VanDerWaalsContact O-CA 3.32Å; I305-G356 WeakPolarHBondContact O-CA 3.37Å; E348-G356 PolarHBondContact N-O 2.89Å; Q349-G356 WeakPolarHBondContact CB-O 3.4Å; Q349-G356 PolarHBondContact N-O 3.18Å; Q349-G356 VanDerWaalsContact N-O 3.16Å; Q349-G356 PolarHBondContact O-N 2.99Å
357	W	94.1	Very high	90.1	Very high	29 Å²	29	46.9 Å²	46.9	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.3	163.4	174.2	78	0	0	0	109.6	C304 I305 S345 T347 L361	C304-W357 WeakPolarHBondContact CA-O 3.43Å; I305-W357 HydrophobicContact CD1-CE3 4.32Å; I305-W357 HydrophobicContact CD1-CZ3 4.43Å; I305-W357 HydrophobicContact CG1-CE3 4.42Å; I305-W357 PolarHBondContact N-O 3.44Å; I305-W357 PolarHBondContact O-N 2.96Å; S345-W357 PolarHBondContact OG-NE1 3.22Å; T347-W357 HydrophobicContact CG2-CB 4.09Å; W357-L361 HydrophobicContact CH2-CD1 4.43Å; W357-L361 HydrophobicContact CH2-CD2 3.7Å; W357-L361 HydrophobicContact CH2-CG 3.9Å; W357-L361 HydrophobicContact CZ3-CD1 4.03Å; W357-L361 HydrophobicContact CZ3-CD2 4.1Å; W357-L361 HydrophobicContact CZ3-CG 3.97Å
358	K	93	Very high	90.3	Very high	79 Å²	79	46.9 Å²	46.9	34%	0.343	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.6	172.2	173.4	171.4	177.5	166	0	110.5	I263 T302 V303	I263-K358 HydrophobicContact CD1-CB 3.51Å; I263-K358 HydrophobicContact CD1-CD 3.88Å; I263-K358 HydrophobicContact CD1-CG 4.32Å; I263-K358 HydrophobicContact CG1-CD 4.21Å; T302-K358 HydrophobicContact CG2-CG 4.44Å; V303-K358 VanDerWaalsContact O-CA 3.28Å; V303-K358 WeakPolarHBondContact O-CA 3.49Å
359	G	93.2	Very high	91	Very high	18 Å²	18	44.4 Å²	44.4	19%	0.186	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-177	177.1	0	0	0	0	0	111.7	V303	V303-G359 PolarHBondContact N-O 2.91Å; V303-G359 PolarHBondContact O-N 3.44Å; V303-G359 VanDerWaalsContact O-N 3.09Å
360	E	96.2	Very high	91.6	Very high	118 Å²	118	41 Å²	41	55%	0.551	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92	131.5	175.5	-168.9	174.7	-163.8	0	0	110.2	R300	R300-E360 WeakPolarHBondContact CD-OE1 3.35Å; R300-E360 HydrophobicContact CG-CG 4Å; R300-E360 WeakPolarHBondContact CG-OE1 3.48Å
361	L	96.3	Very high	92.4	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.7	172.7	-66.9	-179.1	0	0	0	109.4	L297 R300 S301 V303 I305 I344 W357 Y366	L297-L361 HydrophobicContact CD1-CB 3.53Å; L297-L361 HydrophobicContact CD1-CD1 3.71Å; L297-L361 HydrophobicContact CD1-CG 4.26Å; R300-L361 CarbonylContact C-O 3.5Å; R300-L361 VanDerWaalsContact CA-O 3.28Å; R300-L361 WeakPolarHBondContact CA-O 3.35Å; R300-L361 WeakPolarHBondContact CG-O 3.23Å; S301-L361 PolarHBondContact N-O 3.03Å; S301-L361 PolarHBondContact O-N 3.49Å; V303-L361 HydrophobicContact CB-CD1 4.18Å; V303-L361 HydrophobicContact CB-CG 4.47Å; V303-L361 HydrophobicContact CG1-CD1 4.39Å; V303-L361 HydrophobicContact CG2-CB 4.08Å; V303-L361 HydrophobicContact CG2-CD1 4.06Å; V303-L361 HydrophobicContact CG2-CG 4.23Å; I305-L361 HydrophobicContact CD1-CD1 4.37Å; I344-L361 HydrophobicContact CG2-CD2 3.81Å; W357-L361 HydrophobicContact CH2-CD1 4.43Å; W357-L361 HydrophobicContact CH2-CD2 3.7Å; W357-L361 HydrophobicContact CH2-CG 3.9Å; W357-L361 HydrophobicContact CZ3-CD1 4.03Å; W357-L361 HydrophobicContact CZ3-CD2 4.1Å; W357-L361 HydrophobicContact CZ3-CG 3.97Å; L361-Y366 HydrophobicContact CB-CE2 4.37Å; L361-Y366 HydrophobicContact CD2-CD1 4.47Å; L361-Y366 HydrophobicContact CD2-CE1 3.93Å
362	G	95.3	Very high	93.2	Very high	22 Å²	22	37.3 Å²	37.3	23%	0.227	20%	0.197	C	C	.	.			trans	-69.3	167.4	171.3	0	0	0	0	0	112.2	Y366	G362-Y366 WeakPolarHBondContact CA-OH 3.49Å; G362-Y366 PolarHBondContact N-OH 3.41Å; G362-Y366 WeakPolarHBondContact O-CE2 3.37Å; G362-Y366 PolarHBondContact O-OH 2.93Å
363	S	95.4	Very high	93.8	Very high	70 Å²	70	29.7 Å²	29.7	49%	0.49	16%	0.164	S	C	.	.	S	Bend	trans	-60.1	153.2	166.6	44.7	0	0	0	0	111.7	L297	L297-S363 VanDerWaalsContact O-CA 3.31Å; L297-S363 WeakPolarHBondContact O-CA 3.38Å
364	G	94.1	Very high	94.3	Very high	27 Å²	27	25.7 Å²	25.7	28%	0.278	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	126.7	-159.3	177.2	0	0	0	0	0	113	L297	L297-G364 PolarHBondContact N-O 3.01Å; L297-G364 PolarHBondContact O-N 3.41Å
365	V	95.3	Very high	94.6	Very high	32 Å²	32	23.2 Å²	23.2	19%	0.194	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.5	-176.5	-173.6	0	0	0	0	111.3	R294 L295 E334	R294-V365 HydrophobicContact CB-CG1 4.07Å; R294-V365 HydrophobicContact CG-CG1 4.23Å; L295-V365 WeakPolarHBondContact O-CA 3.45Å; E334-V365 PolarHBondContact N-O 2.87Å
366	Y	96.3	Very high	94.6	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.02	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.4	179	-59.3	-93.1	0	0	0	109.4	R294 L295 L297 V331 L332 K333 I344 L361 G362	R294-Y366 CarbonylContact C-O 3.51Å; R294-Y366 WeakPolarHBondContact CA-O 3.28Å; L295-Y366 PolarHBondContact N-O 3.36Å; L295-Y366 PolarHBondContact O-N 3.11Å; L297-Y366 HydrophobicContact CB-CE2 4.45Å; L297-Y366 HydrophobicContact CD1-CD2 4.11Å; L297-Y366 HydrophobicContact CD1-CE2 3.82Å; L297-Y366 HydrophobicContact CG-CD2 4.49Å; L297-Y366 HydrophobicContact CG-CE2 4.41Å; V331-Y366 HydrophobicContact CG1-CD1 4.32Å; L332-Y366 CarbonylContact O-C 3.45Å; L332-Y366 WeakPolarHBondContact O-CA 3.28Å; L332-Y366 WeakPolarHBondContact O-CB 3.37Å; K333-Y366 HydrophobicContact CB-CD1 3.88Å; K333-Y366 HydrophobicContact CB-CE1 3.82Å; K333-Y366 HydrophobicContact CD-CE1 4.02Å; K333-Y366 HydrophobicContact CG-CD1 4.06Å; K333-Y366 HydrophobicContact CG-CE1 3.71Å; I344-Y366 HydrophobicContact CG1-CD1 4.46Å; I344-Y366 HydrophobicContact CG1-CE1 4.34Å; L361-Y366 HydrophobicContact CB-CE2 4.37Å; L361-Y366 HydrophobicContact CD2-CD1 4.47Å; L361-Y366 HydrophobicContact CD2-CE1 3.93Å; G362-Y366 WeakPolarHBondContact CA-OH 3.49Å; G362-Y366 PolarHBondContact N-OH 3.41Å; G362-Y366 WeakPolarHBondContact O-CE2 3.37Å; G362-Y366 PolarHBondContact O-OH 2.93Å
367	W	96	Very high	94.5	Very high	32 Å²	32	25.4 Å²	25.4	12%	0.121	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.5	168.2	-74	85	0	0	0	109.3	K292 Y293 R294 L332 L341 L369 I520 Y521	K292-W367 HydrophobicContact CB-CE3 4.49Å; K292-W367 HydrophobicContact CB-CZ3 4.36Å; Y293-W367 WeakPolarHBondContact O-CA 3.34Å; R294-W367 HydrophobicContact CG-CD2 3.92Å; R294-W367 HydrophobicContact CG-CE3 4.04Å; R294-W367 HydrophobicContact CG-CH2 3.97Å; R294-W367 HydrophobicContact CG-CZ2 3.83Å; R294-W367 HydrophobicContact CG-CZ3 4.07Å; L332-W367 HydrophobicContact CB-CB 4.46Å; L332-W367 PolarHBondContact N-O 2.96Å; L332-W367 PolarHBondContact O-N 3.12Å; L341-W367 HydrophobicContact CD1-CB 3.84Å; L341-W367 HydrophobicContact CD1-CD2 4.39Å; L341-W367 HydrophobicContact CD1-CG 3.65Å; L341-W367 HydrophobicContact CD2-CG 4.47Å; W367-L369 HydrophobicContact CB-CD2 4.37Å; W367-L369 HydrophobicContact CE3-CD2 4.48Å; W367-I520 HydrophobicContact CH2-CG1 4.4Å; W367-I520 HydrophobicContact CH2-CG2 4.34Å; W367-I520 HydrophobicContact CZ3-CB 4.39Å; W367-I520 HydrophobicContact CZ3-CG1 4.22Å; W367-Y521 AromaticContact CH2-CE1 3.79Å; W367-Y521 HydrophobicContact CH2-CE1 3.79Å; W367-Y521 AromaticContact CZ3-CE1 3.84Å; W367-Y521 HydrophobicContact CZ3-CE1 3.84Å; W367-Y521 AromaticContact CZ3-CZ 3.92Å
368	L	97.1	Very high	93.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.8	172.4	-47.8	176.9	0	0	0	107.7	Y293 L295 I305 L329 Y330 V331 V508 I517	Y293-L368 PolarHBondContact N-O 3.35Å; Y293-L368 VanDerWaalsContact N-O 3.1Å; Y293-L368 PolarHBondContact O-N 3.49Å; L295-L368 HydrophobicContact CB-CD1 3.86Å; L295-L368 HydrophobicContact CB-CD2 4.35Å; L295-L368 HydrophobicContact CB-CG 4.01Å; L295-L368 HydrophobicContact CD2-CD1 4.28Å; L295-L368 HydrophobicContact CD2-CD2 4.24Å; I305-L368 HydrophobicContact CD1-CD2 4.29Å; L329-L368 HydrophobicContact CD1-CB 3.86Å; L329-L368 HydrophobicContact CD2-CB 4.19Å; L329-L368 HydrophobicContact CD2-CD1 4.3Å; L329-L368 HydrophobicContact CG-CB 4.08Å; Y330-L368 WeakPolarHBondContact O-CA 3.19Å; V331-L368 HydrophobicContact CB-CD2 4.35Å; V331-L368 HydrophobicContact CG1-CD2 4.05Å; V331-L368 HydrophobicContact CG2-CD2 3.98Å; L368-V508 HydrophobicContact CD1-CG2 4.36Å; L368-I517 HydrophobicContact CD1-CD1 3.73Å; L368-I517 HydrophobicContact CD1-CG1 4.38Å
369	L	96.6	Very high	93.1	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	103.9	-176.8	-51	-178.8	0	0	0	109	K292 Y330 L332 W367 Q528 L529	K292-L369 HydrophobicContact CB-CD2 4.09Å; K292-L369 HydrophobicContact CD-CD2 4.06Å; K292-L369 HydrophobicContact CG-CD2 4.26Å; Y330-L369 PolarHBondContact N-O 3.17Å; Y330-L369 PolarHBondContact O-N 3.35Å; L332-L369 HydrophobicContact CD1-CD1 3.68Å; L332-L369 HydrophobicContact CD1-CG 3.98Å; L332-L369 HydrophobicContact CD2-CD1 4.14Å; W367-L369 HydrophobicContact CB-CD2 4.37Å; W367-L369 HydrophobicContact CE3-CD2 4.48Å; L369-Q528 HydrophobicContact CD1-CB 4.26Å; L369-L529 HydrophobicContact CB-CD1 4.11Å; L369-L529 HydrophobicContact CD1-CB 4.23Å
370	P	97.1	Very high	92	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	149.3	175.3	-20.5	32	0	0	0	111.2	F280 H291 Y293 I307 A328 L329 F504 I506 L529	F280-P370 HydrophobicContact CE1-CB 3.61Å; F280-P370 HydrophobicContact CZ-CB 3.58Å; H291-P370 WeakPolarHBondContact O-CD 3.47Å; H291-P370 VanDerWaalsContact O-CG 3.26Å; H291-P370 WeakPolarHBondContact O-CG 3.44Å; Y293-P370 HydrophobicContact CD2-CG 4.16Å; Y293-P370 HydrophobicContact CE2-CG 3.69Å; I307-P370 HydrophobicContact CD1-CB 4.31Å; A328-P370 CarbonylContact O-C 3.56Å; A328-P370 WeakPolarHBondContact O-CA 3.39Å; L329-P370 HydrophobicContact CD1-CB 4.22Å; L329-P370 HydrophobicContact CD1-CG 3.83Å; P370-F504 HydrophobicContact CB-CE1 4.17Å; P370-F504 HydrophobicContact CB-CE2 4.39Å; P370-F504 HydrophobicContact CB-CZ 3.8Å; P370-F504 HydrophobicContact CG-CE1 4.46Å; P370-F504 HydrophobicContact CG-CE2 4.06Å; P370-F504 HydrophobicContact CG-CZ 3.63Å; P370-I506 HydrophobicContact CG-CD1 4.41Å; P370-L529 WeakPolarHBondContact O-CD2 3.35Å
371	F	95.5	Very high	90.2	Very high	16 Å²	16	32.4 Å²	32.4	7%	0.07	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.6	-179.2	172.1	-99.3	0	0	0	110	T327 A328 Y330 T373 L529 I533 H610	T327-F371 CarbonylContact C-O 3.6Å; T327-F371 WeakPolarHBondContact CA-O 3.47Å; A328-F371 HydrophobicContact CB-CD1 4.16Å; A328-F371 PolarHBondContact N-O 2.89Å; A328-F371 PolarHBondContact O-N 2.85Å; Y330-F371 HydrophobicContact CD2-CB 3.92Å; Y330-F371 HydrophobicContact CD2-CG 4.45Å; Y330-F371 HydrophobicContact CE2-CB 3.84Å; Y330-F371 HydrophobicContact CE2-CD1 4.06Å; Y330-F371 AromaticContact CE2-CG 3.88Å; Y330-F371 HydrophobicContact CE2-CG 3.88Å; F371-T373 HydrophobicContact CE1-CG2 3.94Å; F371-T373 HydrophobicContact CZ-CG2 4.1Å; F371-L529 HydrophobicContact CB-CD1 4.21Å; F371-L529 HydrophobicContact CB-CD2 4.49Å; F371-L529 HydrophobicContact CD2-CD1 4.49Å; F371-L529 HydrophobicContact CD2-CD2 4.32Å; F371-I533 HydrophobicContact CD2-CD1 3.57Å; F371-I533 HydrophobicContact CD2-CG1 4.31Å; F371-I533 HydrophobicContact CE2-CD1 3.42Å; F371-I533 VanDerWaalsContact CE2-CD1 3.42Å; F371-I533 HydrophobicContact CE2-CG1 4.26Å; F371-I533 HydrophobicContact CG-CD1 4.49Å; F371-I533 HydrophobicContact CZ-CD1 4.26Å; F371-H610 AromaticContact CE2-NE2 3.78Å; F371-H610 AromaticContact CZ-CE1 3.48Å; F371-H610 VanDerWaalsContact CZ-CE1 3.48Å; F371-H610 WeakPolarHBondContact CZ-CE1 3.35Å; F371-H610 AromaticContact CZ-ND1 3.96Å; F371-H610 AromaticContact CZ-NE2 3.5Å; F371-H610 WeakPolarHBondContact CZ-NE2 3.48Å
372	T	94.5	Very high	88.3	Confident	10 Å²	10	36.5 Å²	36.5	6%	0.061	20%	0.204	C	C	.	.			trans	-127.5	152.8	160.2	176.6	0	0	0	0	107.3	F280 I288 V325 D326 G374 L377	F280-T372 HydrophobicContact CD1-CG2 3.91Å; F280-T372 HydrophobicContact CD2-CG2 4.36Å; F280-T372 HydrophobicContact CE1-CG2 4.18Å; F280-T372 HydrophobicContact CG-CG2 4.02Å; I288-T372 HydrophobicContact CD1-CG2 3.64Å; I288-T372 HydrophobicContact CG2-CG2 4.03Å; V325-T372 VanDerWaalsContact CG1-OG1 3.29Å; V325-T372 WeakPolarHBondContact CG1-OG1 3.48Å; D326-T372 WeakPolarHBondContact O-CA 3.48Å; D326-T372 WeakPolarHBondContact O-CB 3.46Å; D326-T372 PolarHBondContact O-OG1 2.88Å; D326-T372 PolarHBondContact OD1-OG1 3.07Å; T372-G374 PolarHBondContact O-N 3.49Å; T372-G374 PolarHBondContact OG1-N 2.9Å; T372-L377 HydrophobicContact CG2-CD2 4.47Å
373	T	93.2	Very high	86.3	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.031	23%	0.232	C	C	.	.			trans	-67.5	-17.2	175.9	59.7	0	0	0	0	113.4	D326 F371 C375 N590 H610	D326-T373 VanDerWaalsContact OD1-CB 3.32Å; D326-T373 WeakPolarHBondContact OD1-CB 3.35Å; D326-T373 WeakPolarHBondContact OD1-CG2 3.37Å; D326-T373 PolarHBondContact OD1-N 2.91Å; D326-T373 PolarHBondContact OD1-OG1 3.35Å; D326-T373 VanDerWaalsContact OD2-CG2 3.32Å; D326-T373 WeakPolarHBondContact OD2-CG2 3.48Å; F371-T373 HydrophobicContact CE1-CG2 3.94Å; F371-T373 HydrophobicContact CZ-CG2 4.1Å; T373-C375 PolarHBondContact O-N 3.29Å; T373-C375 WeakPolarHBondContact OG1-CB 3.43Å; T373-C375 PolarHBondContact OG1-N 3.13Å; T373-C375 PolarHBondContact OG1-SG 3.17Å; T373-N590 WeakPolarHBondContact O-CB 3.38Å; T373-H610 HydrophobicContact CG2-CB 3.62Å
374	G	92.1	Very high	84.6	Confident	8 Å²	8	47.6 Å²	47.6	8%	0.082	25%	0.246	C	C	.	.	S	Bend	trans	66	15.1	-169.6	0	0	0	0	0	113.2	T372 K378	T372-G374 PolarHBondContact O-N 3.49Å; T372-G374 PolarHBondContact OG1-N 2.9Å; G374-K378 WeakPolarHBondContact O-CE 3.11Å; G374-K378 WeakPolarHBondContact O-CG 3.38Å
375	C	91.8	Very high	83	Confident	1 Å²	1	51 Å²	51	1%	0.007	26%	0.261	C	S	.	.	S	Bend	trans	-68.1	-43.9	175.5	-66.5	0	0	0	0	111.1	T373 K378 L588 N590 M612	T373-C375 PolarHBondContact O-N 3.29Å; T373-C375 WeakPolarHBondContact OG1-CB 3.43Å; T373-C375 PolarHBondContact OG1-N 3.13Å; T373-C375 PolarHBondContact OG1-SG 3.17Å; C375-K378 WeakPolarHBondContact O-CE 3.25Å; C375-L588 HydrophobicContact CB-CD2 4.23Å; C375-L588 HydrophobicContact CB-CG 4.13Å; C375-L588 VanDerWaalsContact O-CD2 3.23Å; C375-L588 WeakPolarHBondContact O-CD2 3.46Å; C375-L588 WeakPolarHBondContact O-CG 3.41Å; C375-L588 PolarHBondContact SG-O 2.69Å; C375-N590 PolarHBondContact SG-N 3.37Å; C375-M612 HydrophobicContact CB-CB 4.06Å; C375-M612 HydrophobicContact CB-CG 3.94Å; C375-M612 HydrophobicContact CB-SD 4.02Å
376	K	90.5	Very high	82.2	Confident	49 Å²	49	59.7 Å²	59.7	21%	0.213	29%	0.291	C	S	.	.	S	Bend	trans	-104.4	-23.6	-174.9	-64	176.9	-179	-176.7	0	114.8	S324 V325 K378 L588 E616	S324-K376 WeakPolarHBondContact O-CD 3.34Å; S324-K376 WeakPolarHBondContact O-CE 3.46Å; S324-K376 PolarHBondContact O-NZ 2.96Å; V325-K376 HydrophobicContact CG2-CB 4.4Å; K376-K378 PolarHBondContact O-N 3.49Å; K376-L588 HydrophobicContact CG-CD2 3.87Å; K376-E616 IonicContact NZ-OE1 3.55Å; K376-E616 PolarHBondContact NZ-OE1 3.35Å
377	L	90.9	Very high	81.9	Confident	6 Å²	6	64.2 Å²	64.2	3%	0.031	31%	0.312	C	S	.	.	S	Bend	trans	-88.8	99.8	170.8	-177	64	0	0	0	108.3	F280 L282 I288 V325 T372 C502	F280-L377 HydrophobicContact CB-CD2 3.72Å; L282-L377 HydrophobicContact CB-CG 4.43Å; I288-L377 HydrophobicContact CD1-CD2 4.31Å; I288-L377 HydrophobicContact CG2-CD2 4.42Å; V325-L377 HydrophobicContact CG1-CB 4.17Å; V325-L377 HydrophobicContact CG2-CB 4.03Å; T372-L377 HydrophobicContact CG2-CD2 4.47Å; L377-C502 HydrophobicContact CD1-CB 4.4Å; L377-C502 HydrophobicContact CD2-CB 4.21Å
378	K	82.4	Confident	81.7	Confident	58 Å²	58	63.9 Å²	63.9	25%	0.252	32%	0.316	S	S	.	.			trans	-150.6	154.3	-175.5	-69	-170.6	178.6	-179.8	0	111.2	L282 G374 C375 K376 V380 S589 N590	L282-K378 VanDerWaalsContact CD2-CA 3.45Å; G374-K378 WeakPolarHBondContact O-CE 3.11Å; G374-K378 WeakPolarHBondContact O-CG 3.38Å; C375-K378 WeakPolarHBondContact O-CE 3.25Å; K376-K378 PolarHBondContact O-N 3.49Å; K378-V380 PolarHBondContact O-N 2.73Å; K378-S589 PolarHBondContact NZ-O 3.38Å; K378-N590 WeakPolarHBondContact CE-O 3.49Å; K378-N590 PolarHBondContact NZ-O 2.93Å
379	K	75.7	Confident	81.6	Confident	86 Å²	86	71.9 Å²	71.9	37%	0.374	35%	0.351	S	S	.	.			trans	-62.3	107.2	174.7	-67	-142	170.3	-148.7	0	109.5	L282 E283 E284 E500	L282-K379 HydrophobicContact CD2-CB 4.33Å; L282-K379 HydrophobicContact CD2-CG 3.59Å; L282-K379 HydrophobicContact CG-CG 4.35Å; E283-K379 VanDerWaalsContact O-CE 3.25Å; E283-K379 WeakPolarHBondContact O-CE 3.45Å; E284-K379 IonicContact OE1-NZ 2.73Å; K379-E500 WeakPolarHBondContact CD-OE1 3.36Å; K379-E500 WeakPolarHBondContact CE-OE2 3.27Å; K379-E500 VanDerWaalsContact CG-OE1 3.29Å; K379-E500 WeakPolarHBondContact CG-OE1 3.35Å; K379-E500 IonicContact NZ-OE2 3.43Å; K379-E500 PolarHBondContact NZ-OE2 2.82Å
380	V	69.5	Low	81.5	Confident	95 Å²	95	71.9 Å²	71.9	58%	0.576	35%	0.351	S	S	*	.			trans	-83.8	123.9	171.2	-178.6	0	0	0	0	106.5	K378 P382	K378-V380 PolarHBondContact O-N 2.73Å; V380-P382 WeakPolarHBondContact O-CD 3.15Å; V380-P382 VanDerWaalsContact O-N 3.08Å
381	K	59	Low	81.4	Confident	151 Å²	151	72.7 Å²	72.7	66%	0.657	36%	0.355	S	S	*	.			trans	-59.8	115.3	169.9	-78.6	-170.4	171.4	-164.9	0	108.7	Q383	K381-Q383 PolarHBondContact O-N 3.4Å
382	P	55.8	Low	81.3	Confident	89 Å²	89	77.8 Å²	77.8	58%	0.578	38%	0.375	S	S	*	.			trans	-68.1	127.8	-179.6	27.3	-32.9	0	0	0	109.3	V380	V380-P382 WeakPolarHBondContact O-CD 3.15Å; V380-P382 VanDerWaalsContact O-N 3.08Å
383	Q	53.9	Low	81.2	Confident	173 Å²	173	84.1 Å²	84.1	81%	0.808	40%	0.398	S	S	*	.			trans	-69	123.3	146.9	-68.4	-174.5	-11.1	0	0	105.4	K381 T385	K381-Q383 PolarHBondContact O-N 3.4Å; Q383-T385 VanDerWaalsContact C-N 3.26Å; Q383-T385 PolarHBondContact O-N 3.44Å; Q383-T385 PolarHBondContact O-OG1 2.94Å
384	I	58.7	Low	80.9	Confident	153 Å²	153	85.1 Å²	85.1	79%	0.785	41%	0.41	S	S	*	.			trans	-75.4	82.3	-173	-56.5	176.9	0	0	0	109.4	R386	I384-R386 VanDerWaalsContact C-N 3.31Å; I384-R386 PolarHBondContact O-N 3.05Å; I384-R386 VanDerWaalsContact O-N 3.16Å
385	T	60.8	Low	80.6	Confident	99 Å²	99	95 Å²	95	61%	0.607	45%	0.453	S	S	*	.			trans	-85.9	70.6	174.2	40	0	0	0	0	110.8	Q383	Q383-T385 VanDerWaalsContact C-N 3.26Å; Q383-T385 PolarHBondContact O-N 3.44Å; Q383-T385 PolarHBondContact O-OG1 2.94Å
386	R	79.1	Confident	80.4	Confident	214 Å²	214	100.9 Å²	100.9	81%	0.808	49%	0.485	S	S	*	.			trans	65.1	132.3	170	-179.9	-178.1	177.4	-175.9	-0.6	115.7	I384	I384-R386 VanDerWaalsContact C-N 3.31Å; I384-R386 PolarHBondContact O-N 3.05Å; I384-R386 VanDerWaalsContact O-N 3.16Å
387	E	89.8	Confident	80.1	Confident	100 Å²	100	100 Å²	100	47%	0.467	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-77.7	131.4	169.7	-175.5	161.6	-173.9	0	0	111.1	W484 K494	E387-W484 HydrophobicContact CG-CZ2 3.84Å; E387-W484 PolarHBondContact OE1-NE1 3.31Å; E387-K494 CarbonylContact C-O 3.59Å; E387-K494 WeakPolarHBondContact CA-O 3.33Å; E387-K494 HydrophobicContact CB-CB 4.49Å; E387-K494 HydrophobicContact CG-CB 4.32Å; E387-K494 HydrophobicContact CG-CD 4.15Å; E387-K494 WeakPolarHBondContact OE1-CE 3.44Å; E387-K494 IonicContact OE1-NZ 2.63Å; E387-K494 PolarHBondContact OE1-NZ 2.96Å
388	A	92	Very high	80	Confident	24 Å²	24	105.6 Å²	105.6	20%	0.198	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-73	156	175	0	0	0	0	0	111.1	W484 K494 L496	A388-W484 HydrophobicContact CB-CH2 4.31Å; A388-W484 WeakPolarHBondContact O-CZ2 3.48Å; A388-K494 PolarHBondContact N-O 2.86Å; A388-L496 HydrophobicContact CB-CD1 3.78Å; A388-L496 HydrophobicContact CB-CG 3.86Å
389	K	94.2	Very high	80.6	Confident	169 Å²	169	103.6 Å²	103.6	74%	0.735	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-93.2	126.8	168.4	-69.2	-169.2	174.7	-169.6	0	108.8	T402	K389-T402 HydrophobicContact CB-CG2 4.24Å; K389-T402 WeakPolarHBondContact O-CB 3.27Å; K389-T402 WeakPolarHBondContact O-CG2 3.26Å; K389-T402 PolarHBondContact O-OG1 2.7Å
390	L	94.8	Very high	81.4	Confident	3 Å²	3	100.4 Å²	100.4	2%	0.016	50%	0.497	C	S	.	.			trans	-81.6	-39.9	176.7	-55.3	-167	0	0	0	111.9	T402 F405 P480 L483 W484 L487 L496	L390-T402 PolarHBondContact O-N 3.05Å; L390-T402 PolarHBondContact O-OG1 2.94Å; L390-F405 HydrophobicContact CB-CB 4.4Å; L390-F405 HydrophobicContact CB-CD1 3.8Å; L390-F405 HydrophobicContact CB-CE1 4.19Å; L390-F405 HydrophobicContact CB-CG 4.01Å; L390-F405 HydrophobicContact CD1-CE2 4.43Å; L390-F405 HydrophobicContact CD1-CZ 4.43Å; L390-F405 HydrophobicContact CD2-CB 4.22Å; L390-F405 HydrophobicContact CD2-CD2 3.89Å; L390-F405 HydrophobicContact CD2-CE2 4.45Å; L390-F405 HydrophobicContact CD2-CG 3.99Å; L390-F405 HydrophobicContact CG-CG 4.48Å; L390-F405 VanDerWaalsContact O-CD1 3.31Å; L390-F405 WeakPolarHBondContact O-CD1 3.37Å; L390-P480 HydrophobicContact CB-CB 4.15Å; L390-P480 HydrophobicContact CD1-CB 3.87Å; L390-P480 HydrophobicContact CG-CB 4.08Å; L390-L483 HydrophobicContact CD1-CB 3.64Å; L390-L483 HydrophobicContact CD1-CD1 4.36Å; L390-W484 HydrophobicContact CD1-CD2 3.87Å; L390-W484 HydrophobicContact CD1-CE3 4.39Å; L390-W484 HydrophobicContact CD1-CG 4.05Å; L390-W484 HydrophobicContact CD1-CZ2 4.38Å; L390-W484 HydrophobicContact CD2-CD2 4.44Å; L390-W484 HydrophobicContact CD2-CH2 3.74Å; L390-W484 HydrophobicContact CD2-CZ2 3.64Å; L390-W484 HydrophobicContact CD2-CZ3 4.2Å; L390-W484 HydrophobicContact CG-CD2 4.33Å; L390-W484 HydrophobicContact CG-CH2 4.48Å; L390-W484 HydrophobicContact CG-CZ2 3.94Å; L390-L487 HydrophobicContact CD1-CD1 3.8Å; L390-L487 HydrophobicContact CD2-CD1 3.83Å; L390-L496 HydrophobicContact CD2-CD1 4.08Å; L390-L496 HydrophobicContact CD2-CD2 3.79Å; L390-L496 HydrophobicContact CD2-CG 4.27Å
391	V	94.7	Very high	82.7	Confident	18 Å²	18	96 Å²	96	11%	0.109	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.6	-178.1	-60.8	0	0	0	0	112.1	A400 L401 A473 G478	V391-A400 CarbonylContact C-O 3.53Å; V391-A400 VanDerWaalsContact CA-O 3.31Å; V391-A400 WeakPolarHBondContact CA-O 3.48Å; V391-L401 HydrophobicContact CG1-CD2 3.72Å; V391-A473 HydrophobicContact CG1-CB 3.89Å; V391-G478 WeakPolarHBondContact CG2-O 3.4Å
392	Y	93.6	Very high	84.4	Confident	123 Å²	123	89.5 Å²	89.5	48%	0.482	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.5	169.3	68.6	-80.2	0	0	0	109.5	A400 T402	Y392-A400 HydrophobicContact CD1-CB 4.28Å; Y392-A400 VanDerWaalsContact CD1-O 3.26Å; Y392-A400 WeakPolarHBondContact CD1-O 3.27Å; Y392-A400 HydrophobicContact CE1-CB 3.69Å; Y392-A400 HydrophobicContact CE2-CB 4.1Å; Y392-A400 PolarHBondContact N-O 2.91Å; Y392-A400 PolarHBondContact O-N 2.78Å; Y392-T402 HydrophobicContact CD1-CG2 3.86Å
393	R	92.8	Very high	86.2	Confident	142 Å²	142	93.7 Å²	93.7	54%	0.536	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132	173.4	-160.8	173.1	-74.2	-95.7	5.2	108.9	G397 E398 L399 E477	R393-G397 WeakPolarHBondContact CD-O 3.35Å; R393-G397 VanDerWaalsContact CG-C 3.44Å; R393-G397 WeakPolarHBondContact CG-O 3.41Å; R393-G397 PolarHBondContact NH1-O 2.94Å; R393-E398 CarbonylContact C-O 3.58Å; R393-E398 VanDerWaalsContact CA-O 3.3Å; R393-E398 WeakPolarHBondContact CA-O 3.47Å; R393-E398 WeakPolarHBondContact CG-O 3.42Å; R393-L399 HydrophobicContact CB-CD2 4.24Å; R393-L399 HydrophobicContact CG-CD2 4.47Å; R393-E477 PolarHBondContact NH2-O 3.33Å; R393-E477 VanDerWaalsContact NH2-O 3.13Å
394	G	86.8	Confident	88	Confident	27 Å²	27	91 Å²	91	28%	0.278	44%	0.44	S	S	.	.			trans	-72.9	176.3	179.5	0	0	0	0	0	113.2	D396 G397 E398	G394-D396 WeakPolarHBondContact CA-OD1 3.29Å; G394-D396 PolarHBondContact O-N 2.89Å; G394-G397 PolarHBondContact O-N 3.25Å; G394-G397 VanDerWaalsContact O-N 3.12Å; G394-E398 PolarHBondContact N-O 2.88Å
395	E	86.2	Confident	89.8	Confident	214 Å²	214	83.8 Å²	83.8	100%	1	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.5	175.3	-62.4	-176.1	171.8	0	0	112.5	G397	E395-G397 VanDerWaalsContact C-N 3.3Å
396	D	87.7	Confident	91.4	Very high	126 Å²	126	83.6 Å²	83.6	67%	0.674	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-14	171.7	49.6	12.2	0	0	0	113.7	G394 E398	G394-D396 WeakPolarHBondContact CA-OD1 3.29Å; G394-D396 PolarHBondContact O-N 2.89Å; D396-E398 PolarHBondContact OD1-N 2.79Å
397	G	83.5	Confident	92.1	Very high	30 Å²	30	75.6 Å²	75.6	31%	0.309	37%	0.371	S	S	.	.	S	Bend	trans	89.7	-0.5	-174.2	0	0	0	0	0	114.4	R393 G394 E395	R393-G397 WeakPolarHBondContact CD-O 3.35Å; R393-G397 VanDerWaalsContact CG-C 3.44Å; R393-G397 WeakPolarHBondContact CG-O 3.41Å; R393-G397 PolarHBondContact NH1-O 2.94Å; G394-G397 PolarHBondContact O-N 3.25Å; G394-G397 VanDerWaalsContact O-N 3.12Å; E395-G397 VanDerWaalsContact C-N 3.3Å
398	E	90.3	Very high	92.3	Very high	123 Å²	123	71 Å²	71	58%	0.575	35%	0.35	S	S	*	.			trans	-79.2	150.7	179	-66.9	-59.5	154.3	0	0	111.9	R393 G394 D396	R393-E398 CarbonylContact C-O 3.58Å; R393-E398 VanDerWaalsContact CA-O 3.3Å; R393-E398 WeakPolarHBondContact CA-O 3.47Å; R393-E398 WeakPolarHBondContact CG-O 3.42Å; G394-E398 PolarHBondContact N-O 2.88Å; D396-E398 PolarHBondContact OD1-N 2.79Å
399	L	93.4	Very high	92.4	Very high	17 Å²	17	70 Å²	70	9%	0.089	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	141.7	175.4	-74.8	166.5	0	0	0	111.3	R393 N474	R393-L399 HydrophobicContact CB-CD2 4.24Å; R393-L399 HydrophobicContact CG-CD2 4.47Å; L399-N474 WeakPolarHBondContact CB-OD1 3.36Å; L399-N474 WeakPolarHBondContact CD1-OD1 3.48Å
400	A	94.1	Very high	92.4	Very high	19 Å²	19	64.2 Å²	64.2	16%	0.157	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.9	177.9	0	0	0	0	0	111.8	V391 Y392	V391-A400 CarbonylContact C-O 3.53Å; V391-A400 VanDerWaalsContact CA-O 3.31Å; V391-A400 WeakPolarHBondContact CA-O 3.48Å; Y392-A400 HydrophobicContact CD1-CB 4.28Å; Y392-A400 VanDerWaalsContact CD1-O 3.26Å; Y392-A400 WeakPolarHBondContact CD1-O 3.27Å; Y392-A400 HydrophobicContact CE1-CB 3.69Å; Y392-A400 HydrophobicContact CE2-CB 4.1Å; Y392-A400 PolarHBondContact N-O 2.91Å; Y392-A400 PolarHBondContact O-N 2.78Å
401	L	94.8	Very high	92.4	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.01	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.2	173.1	-50.4	-172	0	0	0	110.6	V391 F405 R406 L409 L470	V391-L401 HydrophobicContact CG1-CD2 3.72Å; L401-F405 HydrophobicContact CB-CD1 4.16Å; L401-F405 HydrophobicContact CD1-CD1 4.37Å; L401-F405 HydrophobicContact CD1-CE1 4.32Å; L401-F405 HydrophobicContact CD2-CD1 3.94Å; L401-F405 HydrophobicContact CD2-CE1 3.84Å; L401-F405 HydrophobicContact CG-CD1 4.38Å; L401-R406 HydrophobicContact CB-CG 3.73Å; L401-R406 HydrophobicContact CD1-CG 4.39Å; L401-R406 PolarHBondContact O-NE 3.29Å; L401-L409 HydrophobicContact CD1-CD1 3.66Å; L401-L470 HydrophobicContact CD1-CB 4.3Å; L401-L470 HydrophobicContact CD2-CB 4.1Å; L401-L470 HydrophobicContact CD2-CD1 3.75Å; L401-L470 HydrophobicContact CG-CB 4.12Å; L401-L470 HydrophobicContact CG-CD1 4.05Å
402	T	95.4	Very high	92.4	Very high	14 Å²	14	65 Å²	65	9%	0.086	32%	0.322	C	S	.	.			trans	-64.3	160.1	175.7	60.1	0	0	0	0	111.9	K389 L390 Y392 E404 F405 R406	K389-T402 HydrophobicContact CB-CG2 4.24Å; K389-T402 WeakPolarHBondContact O-CB 3.27Å; K389-T402 WeakPolarHBondContact O-CG2 3.26Å; K389-T402 PolarHBondContact O-OG1 2.7Å; L390-T402 PolarHBondContact O-N 3.05Å; L390-T402 PolarHBondContact O-OG1 2.94Å; Y392-T402 HydrophobicContact CD1-CG2 3.86Å; T402-E404 VanDerWaalsContact C-N 3.27Å; T402-E404 PolarHBondContact O-N 2.83Å; T402-F405 PolarHBondContact O-N 2.92Å; T402-F405 WeakPolarHBondContact OG1-CB 3.31Å; T402-F405 PolarHBondContact OG1-N 2.9Å; T402-R406 WeakPolarHBondContact O-CB 3.48Å; T402-R406 VanDerWaalsContact O-CG 3.3Å; T402-R406 WeakPolarHBondContact O-CG 3.41Å; T402-R406 PolarHBondContact O-N 2.93Å
403	K	94.1	Very high	92.5	Very high	177 Å²	177	59.1 Å²	59.1	77%	0.77	30%	0.299	S	S	*	.	H	α-helix	trans	-62.1	-39.3	179.4	-174.3	-177.8	177.9	-175.4	0	111.4	A407	K403-A407 PolarHBondContact O-N 3Å; K403-A407 VanDerWaalsContact O-N 3.09Å
404	E	92.6	Very high	92.6	Very high	118 Å²	118	54.4 Å²	54.4	55%	0.551	28%	0.283	S	S	*	.	H	α-helix	trans	-65.1	-45	178.3	-62.7	72.9	-164.3	0	0	111.1	T402 A407 A408 L496	T402-E404 VanDerWaalsContact C-N 3.27Å; T402-E404 PolarHBondContact O-N 2.83Å; E404-A407 PolarHBondContact O-N 2.79Å; E404-A408 PolarHBondContact O-N 2.91Å; E404-A408 VanDerWaalsContact O-N 3.1Å; E404-L496 HydrophobicContact CB-CD1 3.88Å
405	F	94.7	Very high	93	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-70.8	-38.8	178.5	-178.1	-137.8	0	0	0	112.5	L390 L401 T402 A407 A408 L409 L483 L487 L496	L390-F405 HydrophobicContact CB-CB 4.4Å; L390-F405 HydrophobicContact CB-CD1 3.8Å; L390-F405 HydrophobicContact CB-CE1 4.19Å; L390-F405 HydrophobicContact CB-CG 4.01Å; L390-F405 HydrophobicContact CD1-CE2 4.43Å; L390-F405 HydrophobicContact CD1-CZ 4.43Å; L390-F405 HydrophobicContact CD2-CB 4.22Å; L390-F405 HydrophobicContact CD2-CD2 3.89Å; L390-F405 HydrophobicContact CD2-CE2 4.45Å; L390-F405 HydrophobicContact CD2-CG 3.99Å; L390-F405 HydrophobicContact CG-CG 4.48Å; L390-F405 VanDerWaalsContact O-CD1 3.31Å; L390-F405 WeakPolarHBondContact O-CD1 3.37Å; L401-F405 HydrophobicContact CB-CD1 4.16Å; L401-F405 HydrophobicContact CD1-CD1 4.37Å; L401-F405 HydrophobicContact CD1-CE1 4.32Å; L401-F405 HydrophobicContact CD2-CD1 3.94Å; L401-F405 HydrophobicContact CD2-CE1 3.84Å; L401-F405 HydrophobicContact CG-CD1 4.38Å; T402-F405 PolarHBondContact O-N 2.92Å; T402-F405 WeakPolarHBondContact OG1-CB 3.31Å; T402-F405 PolarHBondContact OG1-N 2.9Å; F405-A407 VanDerWaalsContact C-N 3.26Å; F405-A407 PolarHBondContact O-N 3.16Å; F405-A408 PolarHBondContact O-N 3.44Å; F405-L409 HydrophobicContact CD1-CD1 4.24Å; F405-L409 HydrophobicContact CD2-CD1 4.41Å; F405-L409 HydrophobicContact CD2-CG 4.05Å; F405-L409 HydrophobicContact CE1-CD1 3.82Å; F405-L409 HydrophobicContact CE1-CG 4.38Å; F405-L409 HydrophobicContact CE2-CD1 3.99Å; F405-L409 HydrophobicContact CE2-CD2 3.75Å; F405-L409 HydrophobicContact CE2-CG 3.63Å; F405-L409 HydrophobicContact CZ-CD1 3.68Å; F405-L409 HydrophobicContact CZ-CD2 3.87Å; F405-L409 HydrophobicContact CZ-CG 3.82Å; F405-L409 WeakPolarHBondContact O-CG 3.34Å; F405-L409 PolarHBondContact O-N 2.94Å; F405-L483 HydrophobicContact CE1-CD1 3.8Å; F405-L483 HydrophobicContact CZ-CB 4.23Å; F405-L483 HydrophobicContact CZ-CD1 4.04Å; F405-L483 HydrophobicContact CZ-CD2 4.11Å; F405-L483 HydrophobicContact CZ-CG 4.37Å; F405-L487 HydrophobicContact CD2-CD1 4.03Å; F405-L487 HydrophobicContact CE2-CD1 3.68Å; F405-L487 HydrophobicContact CE2-CD2 4.12Å; F405-L487 HydrophobicContact CE2-CG 4.11Å; F405-L496 HydrophobicContact CB-CD1 4.18Å; F405-L496 HydrophobicContact CD2-CD2 4.33Å
406	R	95.1	Very high	93.4	Very high	94 Å²	94	43.5 Å²	43.5	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-57.2	-38.8	170.8	-72.7	173	-178.8	-95.7	3.3	112.2	L401 T402 L409 L410 M466	L401-R406 HydrophobicContact CB-CG 3.73Å; L401-R406 HydrophobicContact CD1-CG 4.39Å; L401-R406 PolarHBondContact O-NE 3.29Å; T402-R406 WeakPolarHBondContact O-CB 3.48Å; T402-R406 VanDerWaalsContact O-CG 3.3Å; T402-R406 WeakPolarHBondContact O-CG 3.41Å; T402-R406 PolarHBondContact O-N 2.93Å; R406-L409 PolarHBondContact O-N 2.84Å; R406-L410 WeakPolarHBondContact O-CG 3.45Å; R406-L410 PolarHBondContact O-N 2.92Å; R406-M466 HydrophobicContact CB-SD 4.49Å; R406-M466 HydrophobicContact CG-SD 4.4Å
407	A	93.3	Very high	93.8	Very high	47 Å²	47	37.6 Å²	37.6	39%	0.388	19%	0.193	S	C	.	.	H	α-helix	trans	-65.7	-45.9	175.2	0	0	0	0	0	111.7	K403 E404 F405 L409 L410 D411	K403-A407 PolarHBondContact O-N 3Å; K403-A407 VanDerWaalsContact O-N 3.09Å; E404-A407 PolarHBondContact O-N 2.79Å; F405-A407 VanDerWaalsContact C-N 3.26Å; F405-A407 PolarHBondContact O-N 3.16Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 2.94Å; A407-L410 WeakPolarHBondContact O-CB 3.23Å; A407-L410 PolarHBondContact O-N 3.22Å; A407-L410 VanDerWaalsContact O-N 3.13Å; A407-D411 PolarHBondContact O-N 2.87Å
408	A	93.9	Very high	94.4	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-38.7	175.3	0	0	0	0	0	112.7	E404 F405 L410 D411 V412 L487 Y492 L496	E404-A408 PolarHBondContact O-N 2.91Å; E404-A408 VanDerWaalsContact O-N 3.1Å; F405-A408 PolarHBondContact O-N 3.44Å; A408-L410 VanDerWaalsContact C-N 3.34Å; A408-L410 PolarHBondContact O-N 3.03Å; A408-D411 PolarHBondContact O-N 3.28Å; A408-V412 WeakPolarHBondContact O-CG2 3.2Å; A408-V412 PolarHBondContact O-N 2.89Å; A408-L487 HydrophobicContact CB-CD2 4.47Å; A408-Y492 HydrophobicContact CB-CD1 4.43Å; A408-Y492 HydrophobicContact CB-CE1 3.91Å; A408-Y492 PolarHBondContact O-OH 2.87Å; A408-L496 HydrophobicContact CB-CB 4.47Å; A408-L496 HydrophobicContact CB-CD2 4.04Å
409	L	94.9	Very high	94.6	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-30.5	174.7	-72.1	177.5	0	0	0	113.2	L401 F405 R406 A407 F413 F465 M466 N469	L401-L409 HydrophobicContact CD1-CD1 3.66Å; F405-L409 HydrophobicContact CD1-CD1 4.24Å; F405-L409 HydrophobicContact CD2-CD1 4.41Å; F405-L409 HydrophobicContact CD2-CG 4.05Å; F405-L409 HydrophobicContact CE1-CD1 3.82Å; F405-L409 HydrophobicContact CE1-CG 4.38Å; F405-L409 HydrophobicContact CE2-CD1 3.99Å; F405-L409 HydrophobicContact CE2-CD2 3.75Å; F405-L409 HydrophobicContact CE2-CG 3.63Å; F405-L409 HydrophobicContact CZ-CD1 3.68Å; F405-L409 HydrophobicContact CZ-CD2 3.87Å; F405-L409 HydrophobicContact CZ-CG 3.82Å; F405-L409 WeakPolarHBondContact O-CG 3.34Å; F405-L409 PolarHBondContact O-N 2.94Å; R406-L409 PolarHBondContact O-N 2.84Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 2.94Å; L409-F413 WeakPolarHBondContact O-CB 3.46Å; L409-F413 PolarHBondContact O-N 2.05Å; L409-F465 HydrophobicContact CB-CE1 4.38Å; L409-F465 HydrophobicContact CD2-CE1 4.08Å; L409-M466 HydrophobicContact CB-CE 3.45Å; L409-M466 VanDerWaalsContact CB-CE 3.45Å; L409-M466 HydrophobicContact CB-SD 3.77Å; L409-M466 HydrophobicContact CD1-SD 3.9Å; L409-N469 HydrophobicContact CD1-CB 3.74Å; L409-N469 HydrophobicContact CD2-CB 4.37Å; L409-N469 WeakPolarHBondContact CD2-OD1 3.39Å
410	L	94.5	Very high	94.6	Very high	48 Å²	48	35.4 Å²	35.4	25%	0.251	19%	0.187	S	C	.	.	H	α-helix	trans	-67.9	-44.3	170.8	-73.3	171.7	0	0	0	110.7	R406 A407 A408 V412 F413 E414 M466	R406-L410 WeakPolarHBondContact O-CG 3.45Å; R406-L410 PolarHBondContact O-N 2.92Å; A407-L410 WeakPolarHBondContact O-CB 3.23Å; A407-L410 PolarHBondContact O-N 3.22Å; A407-L410 VanDerWaalsContact O-N 3.13Å; A408-L410 VanDerWaalsContact C-N 3.34Å; A408-L410 PolarHBondContact O-N 3.03Å; L410-V412 VanDerWaalsContact C-N 3.31Å; L410-V412 PolarHBondContact O-N 2.85Å; L410-F413 WeakPolarHBondContact O-CB 3.3Å; L410-F413 PolarHBondContact O-N 3.13Å; L410-E414 WeakPolarHBondContact O-CG 3.4Å; L410-E414 PolarHBondContact O-N 2.93Å; L410-M466 HydrophobicContact CB-CE 4.37Å; L410-M466 HydrophobicContact CD2-CE 3.65Å; L410-M466 HydrophobicContact CG-CE 3.6Å
411	D	93.9	Very high	94.6	Very high	32 Å²	32	37.8 Å²	37.8	17%	0.171	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-36.6	176.6	-72.1	-11.2	0	0	0	111.7	L312 A407 A408 T415 Y492	L312-D411 HydrophobicContact CD1-CB 4.12Å; A407-D411 PolarHBondContact O-N 2.87Å; A408-D411 PolarHBondContact O-N 3.28Å; D411-T415 WeakPolarHBondContact O-CB 3.44Å; D411-T415 PolarHBondContact O-N 2.92Å; D411-T415 PolarHBondContact O-OG1 2.87Å; D411-Y492 WeakPolarHBondContact CB-OH 3.39Å
412	V	95.1	Very high	94.6	Very high	5 Å²	5	38 Å²	38	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-53.5	168.6	168.9	0	0	0	0	110.8	A408 L410 E414 T415 I416 F432 F465 L490 Y492	A408-V412 WeakPolarHBondContact O-CG2 3.2Å; A408-V412 PolarHBondContact O-N 2.89Å; L410-V412 VanDerWaalsContact C-N 3.31Å; L410-V412 PolarHBondContact O-N 2.85Å; V412-E414 VanDerWaalsContact C-N 3.33Å; V412-E414 PolarHBondContact O-N 2.84Å; V412-T415 WeakPolarHBondContact O-CA 3.25Å; V412-T415 WeakPolarHBondContact O-CB 3.34Å; V412-T415 PolarHBondContact O-N 2.83Å; V412-I416 HydrophobicContact CG1-CD1 4.3Å; V412-I416 WeakPolarHBondContact O-CG1 3.17Å; V412-I416 PolarHBondContact O-N 3.36Å; V412-F432 HydrophobicContact CG1-CD2 4.16Å; V412-F432 HydrophobicContact CG1-CE2 3.93Å; V412-F465 HydrophobicContact CG1-CE1 4.14Å; V412-F465 HydrophobicContact CG1-CZ 3.86Å; V412-L490 HydrophobicContact CG1-CD1 3.84Å; V412-L490 HydrophobicContact CG2-CD1 3.85Å; V412-Y492 HydrophobicContact CG2-CE2 3.58Å
413	F	95.8	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-53.1	-49.4	179.8	-174.8	-77.1	0	0	0	111.6	L409 L410 T415 I416 D417 G422 L424 R462 F465	L409-F413 WeakPolarHBondContact O-CB 3.46Å; L409-F413 PolarHBondContact O-N 2.05Å; L410-F413 WeakPolarHBondContact O-CB 3.3Å; L410-F413 PolarHBondContact O-N 3.13Å; F413-T415 PolarHBondContact O-N 3.38Å; F413-I416 WeakPolarHBondContact O-CG1 3.29Å; F413-I416 PolarHBondContact O-N 3.24Å; F413-D417 HydrophobicContact CD1-CB 4.44Å; F413-D417 HydrophobicContact CE1-CB 4.22Å; F413-D417 WeakPolarHBondContact O-CB 3.48Å; F413-D417 PolarHBondContact O-N 2.65Å; F413-G422 WeakPolarHBondContact CZ-O 3.46Å; F413-L424 HydrophobicContact CD2-CD1 3.74Å; F413-L424 HydrophobicContact CD2-CD2 4.33Å; F413-L424 HydrophobicContact CD2-CG 4.04Å; F413-L424 HydrophobicContact CE1-CD2 4.33Å; F413-L424 HydrophobicContact CE2-CD1 3.62Å; F413-L424 HydrophobicContact CE2-CD2 4.02Å; F413-L424 HydrophobicContact CE2-CG 3.5Å; F413-L424 VanDerWaalsContact CE2-CG 3.5Å; F413-L424 HydrophobicContact CZ-CD1 4.41Å; F413-L424 HydrophobicContact CZ-CD2 4Å; F413-L424 HydrophobicContact CZ-CG 3.81Å; F413-R462 HydrophobicContact CD1-CG 3.57Å; F413-R462 HydrophobicContact CD2-CB 4.48Å; F413-R462 HydrophobicContact CD2-CG 4.02Å; F413-R462 HydrophobicContact CE1-CG 3.36Å; F413-R462 HydrophobicContact CE2-CB 4.27Å; F413-R462 HydrophobicContact CE2-CG 3.81Å; F413-R462 HydrophobicContact CG-CG 3.91Å; F413-R462 HydrophobicContact CZ-CB 4.34Å; F413-R462 HydrophobicContact CZ-CG 3.49Å; F413-R462 VanDerWaalsContact CZ-CG 3.49Å; F413-F465 HydrophobicContact CB-CD1 4.22Å; F413-F465 HydrophobicContact CB-CE1 4.42Å; F413-F465 HydrophobicContact CD2-CB 3.85Å; F413-F465 AromaticContact CD2-CD1 3.97Å; F413-F465 HydrophobicContact CD2-CD1 3.97Å; F413-F465 AromaticContact CD2-CG 3.96Å; F413-F465 HydrophobicContact CD2-CG 3.96Å; F413-F465 HydrophobicContact CE2-CB 4.17Å
414	E	94.9	Very high	94.8	Very high	43 Å²	43	29.7 Å²	29.7	20%	0.201	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-21.2	179.2	-68	-57.4	146.4	0	0	113.6	K277 L312 L410 V412 R462	K277-E414 VanDerWaalsContact CD-O 3.24Å; K277-E414 WeakPolarHBondContact CD-O 3.3Å; K277-E414 PolarHBondContact NZ-O 3.5Å; K277-E414 IonicContact NZ-OE2 2.73Å; K277-E414 PolarHBondContact NZ-OE2 2.89Å; L312-E414 HydrophobicContact CD2-CB 3.67Å; L410-E414 WeakPolarHBondContact O-CG 3.4Å; L410-E414 PolarHBondContact O-N 2.93Å; V412-E414 VanDerWaalsContact C-N 3.33Å; V412-E414 PolarHBondContact O-N 2.84Å; E414-R462 IonicContact OE1-CZ 2.94Å; E414-R462 IonicContact OE1-NE 2.71Å; E414-R462 PolarHBondContact OE1-NE 2.74Å; E414-R462 IonicContact OE1-NH2 3.96Å; E414-R462 PolarHBondContact OE1-NH2 2.9Å; E414-R462 IonicContact OE2-NH2 2.81Å
415	T	94.4	Very high	94.9	Very high	5 Å²	5	25 Å²	25	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-82.4	-32.8	175	-58.2	0	0	0	0	112.4	C279 D411 V412 F413 P503	C279-T415 HydrophobicContact CB-CG2 3.83Å; D411-T415 WeakPolarHBondContact O-CB 3.44Å; D411-T415 PolarHBondContact O-N 2.92Å; D411-T415 PolarHBondContact O-OG1 2.87Å; V412-T415 WeakPolarHBondContact O-CA 3.25Å; V412-T415 WeakPolarHBondContact O-CB 3.34Å; V412-T415 PolarHBondContact O-N 2.83Å; F413-T415 PolarHBondContact O-N 3.38Å; T415-P503 HydrophobicContact CG2-CB 4.21Å; T415-P503 HydrophobicContact CG2-CG 3.97Å
416	I	94.8	Very high	94.8	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-95.1	-16.8	-177.8	66	175.7	0	0	0	114	V412 F413 L418 L424 E428 F432 F465	V412-I416 HydrophobicContact CG1-CD1 4.3Å; V412-I416 WeakPolarHBondContact O-CG1 3.17Å; V412-I416 PolarHBondContact O-N 3.36Å; F413-I416 WeakPolarHBondContact O-CG1 3.29Å; F413-I416 PolarHBondContact O-N 3.24Å; I416-L418 VanDerWaalsContact C-N 3.31Å; I416-L418 WeakPolarHBondContact O-CG 3.34Å; I416-L418 PolarHBondContact O-N 3.4Å; I416-L424 HydrophobicContact CD1-CD1 3.57Å; I416-L424 HydrophobicContact CD1-CD2 4.28Å; I416-L424 HydrophobicContact CG1-CD1 4.01Å; I416-L424 HydrophobicContact CG1-CD2 3.76Å; I416-E428 WeakPolarHBondContact O-CB 3.26Å; I416-E428 WeakPolarHBondContact O-CG 3.3Å; I416-F432 HydrophobicContact CD1-CB 3.99Å; I416-F432 HydrophobicContact CD1-CD2 3.88Å; I416-F432 HydrophobicContact CD1-CG 4.05Å; I416-F432 HydrophobicContact CG2-CB 4.19Å; I416-F432 HydrophobicContact CG2-CD2 4.31Å; I416-F465 HydrophobicContact CD1-CE2 4.02Å; I416-F465 HydrophobicContact CD1-CZ 4.12Å
417	D	96.5	Very high	94.7	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	16%	0.157	C	C	.	.			trans	-68.2	85.1	161.8	166.3	30.7	0	0	0	108.8	K277 F413 G420 N421 G422 L424	K277-D417 WeakPolarHBondContact CD-O 3.47Å; K277-D417 WeakPolarHBondContact CE-O 3.38Å; K277-D417 PolarHBondContact NZ-O 2.87Å; K277-D417 IonicContact NZ-OD2 2.69Å; K277-D417 PolarHBondContact NZ-OD2 3.09Å; F413-D417 HydrophobicContact CD1-CB 4.44Å; F413-D417 HydrophobicContact CE1-CB 4.22Å; F413-D417 WeakPolarHBondContact O-CB 3.48Å; F413-D417 PolarHBondContact O-N 2.65Å; D417-G420 WeakPolarHBondContact OD1-CA 3.19Å; D417-G420 PolarHBondContact OD1-N 3.15Å; D417-G420 WeakPolarHBondContact OD2-CA 3.5Å; D417-N421 PolarHBondContact OD1-N 3.21Å; D417-G422 PolarHBondContact OD1-N 2.95Å; D417-G422 PolarHBondContact OD2-N 2.81Å; D417-L424 HydrophobicContact CB-CD2 3.91Å
418	L	96.3	Very high	94.8	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.042	14%	0.141	C	C	.	.	S	Bend	trans	-80.7	-23	-170.2	-63.3	-177	0	0	0	113	S276 K277 I416 E428 F431 A519	S276-L418 CarbonylContact C-O 3.59Å; S276-L418 WeakPolarHBondContact CA-O 3.41Å; S276-L418 WeakPolarHBondContact CB-O 3.48Å; S276-L418 PolarHBondContact OG-O 2.83Å; K277-L418 PolarHBondContact N-O 2.87Å; I416-L418 VanDerWaalsContact C-N 3.31Å; I416-L418 WeakPolarHBondContact O-CG 3.34Å; I416-L418 PolarHBondContact O-N 3.4Å; L418-E428 WeakPolarHBondContact CA-OE1 3.29Å; L418-E428 HydrophobicContact CB-CG 4.04Å; L418-E428 HydrophobicContact CD1-CG 4.3Å; L418-E428 HydrophobicContact CG-CG 4.08Å; L418-E428 PolarHBondContact N-OE1 2.97Å; L418-F431 HydrophobicContact CD1-CD2 3.6Å; L418-F431 HydrophobicContact CD1-CE2 3.92Å; L418-F431 HydrophobicContact CD1-CG 4.2Å; L418-A519 HydrophobicContact CD1-CB 3.8Å
419	D	94.7	Very high	94.6	Very high	82 Å²	82	25.6 Å²	25.6	44%	0.439	14%	0.142	S	C	.	.	S	Bend	trans	-93.2	-15.6	173.3	88.2	-9	0	0	0	113.7	N421 E428	D419-N421 VanDerWaalsContact CG-ND2 3.26Å; D419-N421 WeakPolarHBondContact OD1-CB 3.25Å; D419-N421 PolarHBondContact OD1-N 2.99Å; D419-N421 PolarHBondContact OD1-ND2 2.78Å; D419-N421 PolarHBondContact OD2-ND2 2.91Å; D419-E428 PolarHBondContact N-OE1 3.18Å
420	G	93.1	Very high	94.3	Very high	35 Å²	35	26.6 Å²	26.6	36%	0.361	15%	0.147	S	C	.	.	S	Bend	trans	82.4	15.2	178.2	0	0	0	0	0	114.3	D417 G422	D417-G420 WeakPolarHBondContact OD1-CA 3.19Å; D417-G420 PolarHBondContact OD1-N 3.15Å; D417-G420 WeakPolarHBondContact OD2-CA 3.5Å; G420-G422 VanDerWaalsContact C-N 3.29Å
421	N	94.4	Very high	94	Very high	68 Å²	68	25.7 Å²	25.7	36%	0.364	14%	0.141	S	C	.	.	S	Bend	trans	-78.2	-14.3	-179.1	83.1	46.3	0	0	0	113.1	D417 D419 L423	D417-N421 PolarHBondContact OD1-N 3.21Å; D419-N421 VanDerWaalsContact CG-ND2 3.26Å; D419-N421 WeakPolarHBondContact OD1-CB 3.25Å; D419-N421 PolarHBondContact OD1-N 2.99Å; D419-N421 PolarHBondContact OD1-ND2 2.78Å; D419-N421 PolarHBondContact OD2-ND2 2.91Å; N421-L423 WeakPolarHBondContact OD1-CA 3.4Å; N421-L423 WeakPolarHBondContact OD1-CB 3.48Å; N421-L423 WeakPolarHBondContact OD1-CG 3.27Å; N421-L423 PolarHBondContact OD1-N 3.46Å
422	G	95	Very high	93.7	Very high	6 Å²	6	24.5 Å²	24.5	6%	0.062	14%	0.135	C	C	.	.	S	Bend	trans	82.7	19	176.8	0	0	0	0	0	115.1	F413 D417 G420 R462	F413-G422 WeakPolarHBondContact CZ-O 3.46Å; D417-G422 PolarHBondContact OD1-N 2.95Å; D417-G422 PolarHBondContact OD2-N 2.81Å; G420-G422 VanDerWaalsContact C-N 3.29Å; G422-R462 PolarHBondContact O-NH1 2.86Å; G422-R462 VanDerWaalsContact O-NH1 3.11Å
423	L	96.6	Very high	93.2	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.089	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	164.8	170.2	-51.1	170.1	0	0	0	107.6	N421 K456 E459 L460 T461	N421-L423 WeakPolarHBondContact OD1-CA 3.4Å; N421-L423 WeakPolarHBondContact OD1-CB 3.48Å; N421-L423 WeakPolarHBondContact OD1-CG 3.27Å; N421-L423 PolarHBondContact OD1-N 3.46Å; L423-K456 HydrophobicContact CD1-CB 4.05Å; L423-K456 HydrophobicContact CD1-CD 4.39Å; L423-K456 HydrophobicContact CD1-CG 4.23Å; L423-K456 HydrophobicContact CD2-CB 3.91Å; L423-K456 HydrophobicContact CD2-CD 4.29Å; L423-E459 HydrophobicContact CB-CB 3.62Å; L423-E459 HydrophobicContact CD1-CB 4.22Å; L423-E459 WeakPolarHBondContact CD1-OE2 3.39Å; L423-E459 HydrophobicContact CG-CB 4.5Å; L423-L460 CarbonylContact C-O 3.59Å; L423-L460 WeakPolarHBondContact CA-O 3.32Å; L423-T461 HydrophobicContact CD2-CG2 3.95Å
424	L	96.2	Very high	92.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.8	176.3	-51.5	175.6	0	0	0	111	F413 I416 D417 E459 L460 F465	F413-L424 HydrophobicContact CD2-CD1 3.74Å; F413-L424 HydrophobicContact CD2-CD2 4.33Å; F413-L424 HydrophobicContact CD2-CG 4.04Å; F413-L424 HydrophobicContact CE1-CD2 4.33Å; F413-L424 HydrophobicContact CE2-CD1 3.62Å; F413-L424 HydrophobicContact CE2-CD2 4.02Å; F413-L424 HydrophobicContact CE2-CG 3.5Å; F413-L424 VanDerWaalsContact CE2-CG 3.5Å; F413-L424 HydrophobicContact CZ-CD1 4.41Å; F413-L424 HydrophobicContact CZ-CD2 4Å; F413-L424 HydrophobicContact CZ-CG 3.81Å; I416-L424 HydrophobicContact CD1-CD1 3.57Å; I416-L424 HydrophobicContact CD1-CD2 4.28Å; I416-L424 HydrophobicContact CG1-CD1 4.01Å; I416-L424 HydrophobicContact CG1-CD2 3.76Å; D417-L424 HydrophobicContact CB-CD2 3.91Å; L424-E459 CarbonylContact O-C 3.47Å; L424-E459 VanDerWaalsContact O-CA 3.29Å; L424-E459 WeakPolarHBondContact O-CA 3.39Å; L424-E459 WeakPolarHBondContact O-CB 3.4Å; L424-L460 HydrophobicContact CB-CB 4.24Å; L424-L460 HydrophobicContact CD1-CD2 4.49Å; L424-L460 PolarHBondContact N-O 2.84Å; L424-L460 PolarHBondContact O-N 2.99Å; L424-F465 HydrophobicContact CD1-CD2 4Å; L424-F465 HydrophobicContact CD1-CG 4.38Å
425	S	95.2	Very high	91.7	Very high	19 Å²	19	29.7 Å²	29.7	13%	0.133	16%	0.159	C	C	.	.			trans	-68.7	163.6	167.5	63.8	0	0	0	0	111.8	E427 E428 Y429	S425-E427 PolarHBondContact O-N 3.19Å; S425-E428 VanDerWaalsContact CB-OE2 3.29Å; S425-E428 WeakPolarHBondContact CB-OE2 3.48Å; S425-E428 PolarHBondContact N-OE2 3.24Å; S425-E428 PolarHBondContact O-N 3.05Å; S425-E428 VanDerWaalsContact OG-CD 3.28Å; S425-E428 WeakPolarHBondContact OG-CG 3.42Å; S425-E428 PolarHBondContact OG-N 3.1Å; S425-E428 PolarHBondContact OG-OE2 3.32Å; S425-Y429 WeakPolarHBondContact O-CB 3.39Å; S425-Y429 PolarHBondContact O-N 2.92Å
426	L	92.6	Very high	91.1	Very high	36 Å²	36	30.2 Å²	30.2	19%	0.188	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-32.9	173.1	177	54.9	0	0	0	111.8	N430 C441 E443 W446	L426-N430 WeakPolarHBondContact CD1-ND2 3.17Å; L426-N430 VanDerWaalsContact O-CB 3.22Å; L426-N430 WeakPolarHBondContact O-CB 3.31Å; L426-N430 PolarHBondContact O-N 3.08Å; L426-N430 PolarHBondContact O-ND2 2.71Å; L426-C441 HydrophobicContact CD1-CB 4.24Å; L426-E443 HydrophobicContact CD2-CG 4.34Å; L426-W446 HydrophobicContact CB-CD2 4.28Å; L426-W446 HydrophobicContact CB-CG 4.27Å; L426-W446 HydrophobicContact CB-CZ2 4.44Å; L426-W446 HydrophobicContact CD1-CB 3.8Å; L426-W446 HydrophobicContact CD1-CD2 3.75Å; L426-W446 HydrophobicContact CD1-CE3 4.05Å; L426-W446 HydrophobicContact CD1-CG 3.64Å; L426-W446 HydrophobicContact CD2-CB 4.24Å; L426-W446 HydrophobicContact CD2-CG 4.13Å; L426-W446 HydrophobicContact CG-CD2 4.5Å; L426-W446 HydrophobicContact CG-CG 4.22Å
427	E	92.3	Very high	90	Very high	100 Å²	100	33 Å²	33	47%	0.467	18%	0.182	S	C	.	.	H	α-helix	trans	-69.5	-39.4	176.1	-67.8	119.8	111	0	0	112.6	S425 N430 F431 K518	S425-E427 PolarHBondContact O-N 3.19Å; E427-N430 PolarHBondContact O-N 2.83Å; E427-F431 WeakPolarHBondContact O-CD2 3.38Å; E427-F431 PolarHBondContact O-N 2.98Å; E427-F431 VanDerWaalsContact O-N 3.14Å; E427-K518 IonicContact OE1-NZ 2.97Å; E427-K518 PolarHBondContact OE1-NZ 3.13Å
428	E	95.1	Very high	88.7	Confident	12 Å²	12	35.3 Å²	35.3	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-68.4	-44.3	175.3	-75.3	160.9	142.3	0	0	112.1	I416 L418 D419 S425 N430 F431 F432	I416-E428 WeakPolarHBondContact O-CB 3.26Å; I416-E428 WeakPolarHBondContact O-CG 3.3Å; L418-E428 WeakPolarHBondContact CA-OE1 3.29Å; L418-E428 HydrophobicContact CB-CG 4.04Å; L418-E428 HydrophobicContact CD1-CG 4.3Å; L418-E428 HydrophobicContact CG-CG 4.08Å; L418-E428 PolarHBondContact N-OE1 2.97Å; D419-E428 PolarHBondContact N-OE1 3.18Å; S425-E428 VanDerWaalsContact CB-OE2 3.29Å; S425-E428 WeakPolarHBondContact CB-OE2 3.48Å; S425-E428 PolarHBondContact N-OE2 3.24Å; S425-E428 PolarHBondContact O-N 3.05Å; S425-E428 VanDerWaalsContact OG-CD 3.28Å; S425-E428 WeakPolarHBondContact OG-CG 3.42Å; S425-E428 PolarHBondContact OG-N 3.1Å; S425-E428 PolarHBondContact OG-OE2 3.32Å; E428-N430 PolarHBondContact O-N 2.84Å; E428-F431 WeakPolarHBondContact O-CB 3.37Å; E428-F431 PolarHBondContact O-N 2.9Å; E428-F432 PolarHBondContact O-N 3.43Å
429	Y	91.3	Very high	87.5	Confident	11 Å²	11	40.6 Å²	40.6	4%	0.043	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-36	173	-166.2	-93.6	0	0	0	111.7	S425 F431 F432 E433 C441 W446 L460 F465 L468	S425-Y429 WeakPolarHBondContact O-CB 3.39Å; S425-Y429 PolarHBondContact O-N 2.92Å; Y429-F431 VanDerWaalsContact C-N 3.33Å; Y429-F431 PolarHBondContact O-N 3.01Å; Y429-F432 HydrophobicContact CD2-CD1 4.49Å; Y429-F432 HydrophobicContact CE2-CD1 4.07Å; Y429-F432 HydrophobicContact CE2-CE1 4.29Å; Y429-F432 WeakPolarHBondContact O-CB 3.42Å; Y429-F432 PolarHBondContact O-N 3.29Å; Y429-E433 HydrophobicContact CD1-CG 3.77Å; Y429-E433 HydrophobicContact CE1-CG 3.31Å; Y429-E433 VanDerWaalsContact CE1-OE1 3.28Å; Y429-E433 WeakPolarHBondContact CE1-OE1 3.42Å; Y429-E433 VanDerWaalsContact CZ-OE1 3.24Å; Y429-E433 PolarHBondContact O-N 2.97Å; Y429-E433 PolarHBondContact OH-OE1 2.93Å; Y429-C441 HydrophobicContact CD1-CB 3.94Å; Y429-C441 HydrophobicContact CE1-CB 4.11Å; Y429-W446 HydrophobicContact CD1-CE3 4.23Å; Y429-W446 AromaticContact CD1-CZ3 3.77Å; Y429-W446 HydrophobicContact CD1-CZ3 3.77Å; Y429-W446 HydrophobicContact CD2-CH2 4.35Å; Y429-W446 AromaticContact CD2-CZ3 3.94Å; Y429-W446 HydrophobicContact CD2-CZ3 3.94Å; Y429-W446 HydrophobicContact CE1-CZ3 4.44Å; Y429-W446 HydrophobicContact CG-CE3 4.39Å; Y429-W446 HydrophobicContact CG-CH2 4.04Å; Y429-W446 AromaticContact CG-CZ3 3.51Å; Y429-W446 HydrophobicContact CG-CZ3 3.51Å; Y429-L460 HydrophobicContact CD2-CD2 4.25Å; Y429-L460 HydrophobicContact CE2-CD2 4.3Å; Y429-F465 HydrophobicContact CE2-CE2 4.5Å; Y429-L468 HydrophobicContact CE2-CD1 4.2Å
430	N	87.8	Confident	86.6	Confident	23 Å²	23	43.7 Å²	43.7	12%	0.123	24%	0.24	C	C	.	.	H	α-helix	trans	-70.1	-22.7	173.7	-90.6	-57.7	0	0	0	114.7	L426 E427 E428 L434 K440 C441	L426-N430 WeakPolarHBondContact CD1-ND2 3.17Å; L426-N430 VanDerWaalsContact O-CB 3.22Å; L426-N430 WeakPolarHBondContact O-CB 3.31Å; L426-N430 PolarHBondContact O-N 3.08Å; L426-N430 PolarHBondContact O-ND2 2.71Å; E427-N430 PolarHBondContact O-N 2.83Å; E428-N430 PolarHBondContact O-N 2.84Å; N430-L434 WeakPolarHBondContact O-CB 3.39Å; N430-L434 PolarHBondContact O-N 2.79Å; N430-L434 VanDerWaalsContact O-N 3.17Å; N430-K440 VanDerWaalsContact OD1-CA 3.24Å; N430-K440 WeakPolarHBondContact OD1-CA 3.3Å; N430-K440 WeakPolarHBondContact OD1-CB 3.32Å; N430-K440 WeakPolarHBondContact OD1-CG 3.46Å; N430-C441 PolarHBondContact ND2-O 2.62Å; N430-C441 PolarHBondContact OD1-N 2.74Å; N430-C441 PolarHBondContact OD1-O 2.76Å
431	F	88.2	Confident	85.9	Confident	29 Å²	29	42.8 Å²	42.8	13%	0.127	23%	0.228	C	C	.	.	H	α-helix	trans	-72.7	-35.8	168.8	-79.8	-69.3	0	0	0	111.9	H291 L418 E427 E428 Y429 R435 A519 L522	H291-F431 AromaticContact CD2-CD1 3.87Å; H291-F431 AromaticContact CD2-CE1 3.92Å; H291-F431 AromaticContact NE2-CD1 3.86Å; H291-F431 AromaticContact NE2-CG 3.95Å; L418-F431 HydrophobicContact CD1-CD2 3.6Å; L418-F431 HydrophobicContact CD1-CE2 3.92Å; L418-F431 HydrophobicContact CD1-CG 4.2Å; E427-F431 WeakPolarHBondContact O-CD2 3.38Å; E427-F431 PolarHBondContact O-N 2.98Å; E427-F431 VanDerWaalsContact O-N 3.14Å; E428-F431 WeakPolarHBondContact O-CB 3.37Å; E428-F431 PolarHBondContact O-N 2.9Å; Y429-F431 VanDerWaalsContact C-N 3.33Å; Y429-F431 PolarHBondContact O-N 3.01Å; F431-R435 PolarHBondContact O-N 2.88Å; F431-A519 HydrophobicContact CE2-CB 4.19Å; F431-A519 HydrophobicContact CZ-CB 4.18Å; F431-L522 HydrophobicContact CD1-CD1 3.85Å; F431-L522 HydrophobicContact CD1-CG 3.86Å; F431-L522 HydrophobicContact CE1-CG 4.24Å
432	F	88.6	Confident	85.3	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-58.3	172.7	168.3	-94.2	0	0	0	110.9	V412 I416 E428 Y429 L434 R435 T436 F465 T486 L490	V412-F432 HydrophobicContact CG1-CD2 4.16Å; V412-F432 HydrophobicContact CG1-CE2 3.93Å; I416-F432 HydrophobicContact CD1-CB 3.99Å; I416-F432 HydrophobicContact CD1-CD2 3.88Å; I416-F432 HydrophobicContact CD1-CG 4.05Å; I416-F432 HydrophobicContact CG2-CB 4.19Å; I416-F432 HydrophobicContact CG2-CD2 4.31Å; E428-F432 PolarHBondContact O-N 3.43Å; Y429-F432 HydrophobicContact CD2-CD1 4.49Å; Y429-F432 HydrophobicContact CE2-CD1 4.07Å; Y429-F432 HydrophobicContact CE2-CE1 4.29Å; Y429-F432 WeakPolarHBondContact O-CB 3.42Å; Y429-F432 PolarHBondContact O-N 3.29Å; F432-L434 PolarHBondContact O-N 3.46Å; F432-R435 WeakPolarHBondContact O-CA 3.33Å; F432-R435 PolarHBondContact O-N 3.33Å; F432-T436 HydrophobicContact CD2-CG2 4.1Å; F432-T436 HydrophobicContact CE2-CG2 3.94Å; F432-T436 HydrophobicContact CG-CG2 4.49Å; F432-T436 HydrophobicContact CZ-CG2 4.17Å; F432-T436 WeakPolarHBondContact O-CG2 3.39Å; F432-T436 PolarHBondContact O-N 3.02Å; F432-T436 PolarHBondContact O-OG1 2.93Å; F432-T436 VanDerWaalsContact O-OG1 3.07Å; F432-F465 HydrophobicContact CE1-CE2 4.36Å; F432-F465 HydrophobicContact CE2-CE2 4.24Å; F432-F465 AromaticContact CE2-CZ 3.98Å; F432-F465 HydrophobicContact CE2-CZ 3.98Å; F432-F465 HydrophobicContact CZ-CE2 4.08Å; F432-F465 HydrophobicContact CZ-CZ 4.11Å; F432-T486 HydrophobicContact CE2-CG2 4.05Å; F432-T486 HydrophobicContact CZ-CG2 3.77Å; F432-L490 HydrophobicContact CD2-CD1 4.11Å; F432-L490 HydrophobicContact CE2-CD1 3.74Å
433	E	83.4	Confident	84.7	Confident	39 Å²	39	50.7 Å²	50.7	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-55.1	-48.3	-179.9	-76.1	-62.8	151.2	0	0	112.8	Y429 R435 T436 S437 G438 E439 C441	Y429-E433 HydrophobicContact CD1-CG 3.77Å; Y429-E433 HydrophobicContact CE1-CG 3.31Å; Y429-E433 VanDerWaalsContact CE1-OE1 3.28Å; Y429-E433 WeakPolarHBondContact CE1-OE1 3.42Å; Y429-E433 VanDerWaalsContact CZ-OE1 3.24Å; Y429-E433 PolarHBondContact O-N 2.97Å; Y429-E433 PolarHBondContact OH-OE1 2.93Å; E433-R435 PolarHBondContact O-N 3.45Å; E433-T436 WeakPolarHBondContact CA-OG1 3.23Å; E433-T436 PolarHBondContact O-N 3.48Å; E433-T436 PolarHBondContact O-OG1 3.25Å; E433-S437 PolarHBondContact O-N 2.74Å; E433-S437 PolarHBondContact O-OG 3.43Å; E433-S437 WeakPolarHBondContact OE2-CB 3.49Å; E433-S437 PolarHBondContact OE2-OG 3.32Å; E433-G438 PolarHBondContact O-N 2.96Å; E433-E439 CarbonylContact C-O 3.51Å; E433-C441 HydrophobicContact CG-CB 4.39Å
434	L	78.2	Confident	84.2	Confident	76 Å²	76	56.3 Å²	56.3	40%	0.398	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-22.5	179.7	-172.2	65.6	0	0	0	112.5	N430 F432 E439	N430-L434 WeakPolarHBondContact O-CB 3.39Å; N430-L434 PolarHBondContact O-N 2.79Å; N430-L434 VanDerWaalsContact O-N 3.17Å; F432-L434 PolarHBondContact O-N 3.46Å; L434-E439 WeakPolarHBondContact CA-O 3.25Å; L434-E439 PolarHBondContact N-O 3.24Å
435	R	81.4	Confident	83.4	Confident	42 Å²	42	58.2 Å²	58.2	16%	0.158	31%	0.305	C	S	.	.	H	α-helix	trans	-90.6	-29.1	174.7	-172.6	59.5	-168.3	83.9	-13.1	113.6	E283 F431 F432 E433 S489 L490	E283-R435 IonicContact OE1-CZ 3.91Å; E283-R435 IonicContact OE1-NE 3.82Å; E283-R435 PolarHBondContact OE1-NE 3.01Å; E283-R435 IonicContact OE1-NH2 3.15Å; E283-R435 PolarHBondContact OE1-NH2 3.24Å; E283-R435 IonicContact OE2-CZ 2.65Å; E283-R435 IonicContact OE2-NH2 3.27Å; E283-R435 PolarHBondContact OE2-NH2 3.06Å; F431-R435 PolarHBondContact O-N 2.88Å; F432-R435 WeakPolarHBondContact O-CA 3.33Å; F432-R435 PolarHBondContact O-N 3.33Å; E433-R435 PolarHBondContact O-N 3.45Å; R435-S489 PolarHBondContact NE-O 3.36Å; R435-S489 PolarHBondContact NH1-O 2.86Å; R435-S489 VanDerWaalsContact NH1-O 3.07Å; R435-S489 PolarHBondContact NH2-O 3.22Å; R435-L490 HydrophobicContact CG-CD2 4.37Å
436	T	81	Confident	83	Confident	15 Å²	15	57.8 Å²	57.8	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-98	-45.8	-173	55.3	0	0	0	0	112.9	F432 E433 T486 L490	F432-T436 HydrophobicContact CD2-CG2 4.1Å; F432-T436 HydrophobicContact CE2-CG2 3.94Å; F432-T436 HydrophobicContact CG-CG2 4.49Å; F432-T436 HydrophobicContact CZ-CG2 4.17Å; F432-T436 WeakPolarHBondContact O-CG2 3.39Å; F432-T436 PolarHBondContact O-N 3.02Å; F432-T436 PolarHBondContact O-OG1 2.93Å; F432-T436 VanDerWaalsContact O-OG1 3.07Å; E433-T436 WeakPolarHBondContact CA-OG1 3.23Å; E433-T436 PolarHBondContact O-N 3.48Å; E433-T436 PolarHBondContact O-OG1 3.25Å; T436-T486 HydrophobicContact CG2-CG2 3.84Å; T436-L490 HydrophobicContact CG2-CD1 3.96Å; T436-L490 HydrophobicContact CG2-CD2 4.07Å; T436-L490 HydrophobicContact CG2-CG 3.9Å
437	S	71.9	Confident	82.7	Confident	66 Å²	66	57.7 Å²	57.7	46%	0.462	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-24.1	180	67.4	0	0	0	0	113.1	E433 E439	E433-S437 PolarHBondContact O-N 2.74Å; E433-S437 PolarHBondContact O-OG 3.43Å; E433-S437 WeakPolarHBondContact OE2-CB 3.49Å; E433-S437 PolarHBondContact OE2-OG 3.32Å; S437-E439 PolarHBondContact O-N 3.03Å; S437-E439 PolarHBondContact OG-N 2.97Å
438	G	70.1	Confident	82.3	Confident	49 Å²	49	57 Å²	57	51%	0.505	31%	0.308	S	S	.	.	S	Bend	trans	79.1	-2.1	-176.9	0	0	0	0	0	114.2	E433	E433-G438 PolarHBondContact O-N 2.96Å
439	E	70.6	Confident	81.7	Confident	119 Å²	119	57.3 Å²	57.3	56%	0.556	31%	0.311	S	S	*	.	S	Bend	trans	-104.6	178.6	173.5	-65.6	-177.9	179.2	0	0	109.3	K25 E433 L434 S437	K25-E439 IonicContact NZ-OE1 2.62Å; K25-E439 PolarHBondContact NZ-OE1 3.26Å; E433-E439 CarbonylContact C-O 3.51Å; L434-E439 WeakPolarHBondContact CA-O 3.25Å; L434-E439 PolarHBondContact N-O 3.24Å; S437-E439 PolarHBondContact O-N 3.03Å; S437-E439 PolarHBondContact OG-N 2.97Å
440	K	75.3	Confident	81.5	Confident	147 Å²	147	60.7 Å²	60.7	64%	0.639	33%	0.326	S	S	*	.			trans	-119.3	141.7	176.2	-79.5	-170.5	179.2	-175.9	0	109.8	N430 D442	N430-K440 VanDerWaalsContact OD1-CA 3.24Å; N430-K440 WeakPolarHBondContact OD1-CA 3.3Å; N430-K440 WeakPolarHBondContact OD1-CB 3.32Å; N430-K440 WeakPolarHBondContact OD1-CG 3.46Å; K440-D442 PolarHBondContact O-N 3.44Å
441	C	78.7	Confident	81.6	Confident	17 Å²	17	67.5 Å²	67.5	12%	0.115	36%	0.357	C	S	.	.			trans	-70.9	117.7	167	-171.2	0	0	0	0	108.8	L426 Y429 N430 E433	L426-C441 HydrophobicContact CD1-CB 4.24Å; Y429-C441 HydrophobicContact CD1-CB 3.94Å; Y429-C441 HydrophobicContact CE1-CB 4.11Å; N430-C441 PolarHBondContact ND2-O 2.62Å; N430-C441 PolarHBondContact OD1-N 2.74Å; N430-C441 PolarHBondContact OD1-O 2.76Å; E433-C441 HydrophobicContact CG-CB 4.39Å
442	D	81.2	Confident	81.6	Confident	88 Å²	88	71.2 Å²	71.2	47%	0.471	38%	0.379	S	S	.	.			trans	-80.3	175.3	174.7	58.4	24.9	0	0	0	111.9	K440 E444 A445 W446	K440-D442 PolarHBondContact O-N 3.44Å; D442-E444 VanDerWaalsContact C-N 3.25Å; D442-E444 PolarHBondContact O-N 3.37Å; D442-A445 WeakPolarHBondContact OD1-CB 3.49Å; D442-A445 PolarHBondContact OD1-N 3.37Å; D442-W446 WeakPolarHBondContact O-CB 3.5Å; D442-W446 PolarHBondContact O-N 3.24Å
443	E	84.3	Confident	81.8	Confident	151 Å²	151	72.4 Å²	72.4	71%	0.706	38%	0.384	S	S	*	.	H	α-helix	trans	-69.3	-28.7	-175.2	-66.9	-170.2	-173.5	0	0	111.9	L426 A447	L426-E443 HydrophobicContact CD2-CG 4.34Å; E443-A447 WeakPolarHBondContact O-CB 3.16Å; E443-A447 PolarHBondContact O-N 3.07Å
444	E	84.5	Confident	82.2	Confident	136 Å²	136	74.3 Å²	74.3	64%	0.636	40%	0.395	S	S	*	.	H	α-helix	trans	-69.3	-51.1	175.4	-66.9	80.5	177.9	0	0	112	D442 W446 A447 V448	D442-E444 VanDerWaalsContact C-N 3.25Å; D442-E444 PolarHBondContact O-N 3.37Å; E444-W446 VanDerWaalsContact C-N 3.29Å; E444-W446 PolarHBondContact O-N 2.98Å; E444-A447 WeakPolarHBondContact O-CA 3.32Å; E444-A447 VanDerWaalsContact O-CB 3.28Å; E444-A447 WeakPolarHBondContact O-CB 3.41Å; E444-A447 PolarHBondContact O-N 2.86Å; E444-A447 VanDerWaalsContact O-N 3.09Å; E444-V448 PolarHBondContact O-N 3.11Å; E444-V448 VanDerWaalsContact O-N 3.09Å
445	A	79.4	Confident	82.9	Confident	39 Å²	39	72.6 Å²	72.6	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-37.4	173.8	0	0	0	0	0	111.4	D442 A447 V448 C449	D442-A445 WeakPolarHBondContact OD1-CB 3.49Å; D442-A445 PolarHBondContact OD1-N 3.37Å; A445-A447 VanDerWaalsContact C-N 3.32Å; A445-A447 PolarHBondContact O-N 2.94Å; A445-V448 PolarHBondContact O-N 3.35Å; A445-C449 PolarHBondContact O-N 3.1Å; A445-C449 PolarHBondContact O-SG 2.79Å
446	W	87.3	Confident	83.5	Confident	10 Å²	10	76.7 Å²	76.7	4%	0.038	41%	0.405	C	S	.	.	H	α-helix	trans	-67.3	-31.5	173	-165.6	-124.2	0	0	0	112.5	L426 Y429 D442 E444 C449 K450 M455 L460	L426-W446 HydrophobicContact CB-CD2 4.28Å; L426-W446 HydrophobicContact CB-CG 4.27Å; L426-W446 HydrophobicContact CB-CZ2 4.44Å; L426-W446 HydrophobicContact CD1-CB 3.8Å; L426-W446 HydrophobicContact CD1-CD2 3.75Å; L426-W446 HydrophobicContact CD1-CE3 4.05Å; L426-W446 HydrophobicContact CD1-CG 3.64Å; L426-W446 HydrophobicContact CD2-CB 4.24Å; L426-W446 HydrophobicContact CD2-CG 4.13Å; L426-W446 HydrophobicContact CG-CD2 4.5Å; L426-W446 HydrophobicContact CG-CG 4.22Å; Y429-W446 HydrophobicContact CD1-CE3 4.23Å; Y429-W446 AromaticContact CD1-CZ3 3.77Å; Y429-W446 HydrophobicContact CD1-CZ3 3.77Å; Y429-W446 HydrophobicContact CD2-CH2 4.35Å; Y429-W446 AromaticContact CD2-CZ3 3.94Å; Y429-W446 HydrophobicContact CD2-CZ3 3.94Å; Y429-W446 HydrophobicContact CE1-CZ3 4.44Å; Y429-W446 HydrophobicContact CG-CE3 4.39Å; Y429-W446 HydrophobicContact CG-CH2 4.04Å; Y429-W446 AromaticContact CG-CZ3 3.51Å; Y429-W446 HydrophobicContact CG-CZ3 3.51Å; D442-W446 WeakPolarHBondContact O-CB 3.5Å; D442-W446 PolarHBondContact O-N 3.24Å; E444-W446 VanDerWaalsContact C-N 3.29Å; E444-W446 PolarHBondContact O-N 2.98Å; W446-C449 HydrophobicContact CE3-CB 3.98Å; W446-C449 HydrophobicContact CZ3-CB 4.41Å; W446-C449 PolarHBondContact O-N 2.88Å; W446-K450 WeakPolarHBondContact O-CE 3.26Å; W446-K450 WeakPolarHBondContact O-CG 3.1Å; W446-K450 PolarHBondContact O-N 3.19Å; W446-M455 HydrophobicContact CH2-CE 4.25Å; W446-M455 HydrophobicContact CZ2-CE 3.71Å; W446-L460 HydrophobicContact CH2-CB 3.86Å; W446-L460 HydrophobicContact CZ2-CB 4.47Å
447	A	86.5	Confident	84	Confident	35 Å²	35	83.8 Å²	83.8	29%	0.289	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-46.7	170.4	0	0	0	0	0	111.4	E443 E444 A445 C449 K450 E451	E443-A447 WeakPolarHBondContact O-CB 3.16Å; E443-A447 PolarHBondContact O-N 3.07Å; E444-A447 WeakPolarHBondContact O-CA 3.32Å; E444-A447 VanDerWaalsContact O-CB 3.28Å; E444-A447 WeakPolarHBondContact O-CB 3.41Å; E444-A447 PolarHBondContact O-N 2.86Å; E444-A447 VanDerWaalsContact O-N 3.09Å; A445-A447 VanDerWaalsContact C-N 3.32Å; A445-A447 PolarHBondContact O-N 2.94Å; A447-C449 VanDerWaalsContact C-N 3.32Å; A447-C449 PolarHBondContact O-N 2.77Å; A447-K450 WeakPolarHBondContact O-CB 3.48Å; A447-K450 PolarHBondContact O-N 3.23Å; A447-K450 VanDerWaalsContact O-N 3.12Å; A447-E451 PolarHBondContact O-N 2.99Å; A447-E451 VanDerWaalsContact O-N 3.17Å
448	V	84.4	Confident	84.8	Confident	85 Å²	85	86.6 Å²	86.6	52%	0.515	44%	0.444	S	S	.	.	H	α-helix	trans	-59.9	-42.2	173.8	179.4	0	0	0	0	111.2	E444 A445 K450 E451 N452	E444-V448 PolarHBondContact O-N 3.11Å; E444-V448 VanDerWaalsContact O-N 3.09Å; A445-V448 PolarHBondContact O-N 3.35Å; V448-K450 VanDerWaalsContact C-N 3.32Å; V448-K450 PolarHBondContact O-N 2.9Å; V448-E451 PolarHBondContact O-N 2.84Å; V448-N452 WeakPolarHBondContact CG1-ND2 3.4Å; V448-N452 PolarHBondContact O-N 3Å; V448-N452 PolarHBondContact O-ND2 2.95Å
449	C	82.6	Confident	86	Confident	18 Å²	18	86.2 Å²	86.2	12%	0.122	43%	0.429	C	S	.	.	H	α-helix	trans	-60.9	-40.8	175.2	-63.8	0	0	0	0	112.2	A445 W446 A447 E451 N452 F453	A445-C449 PolarHBondContact O-N 3.1Å; A445-C449 PolarHBondContact O-SG 2.79Å; W446-C449 HydrophobicContact CE3-CB 3.98Å; W446-C449 HydrophobicContact CZ3-CB 4.41Å; W446-C449 PolarHBondContact O-N 2.88Å; A447-C449 VanDerWaalsContact C-N 3.32Å; A447-C449 PolarHBondContact O-N 2.77Å; C449-E451 VanDerWaalsContact C-N 3.28Å; C449-E451 PolarHBondContact O-N 2.84Å; C449-N452 PolarHBondContact O-N 3.07Å; C449-F453 HydrophobicContact CB-CD2 4.21Å; C449-F453 WeakPolarHBondContact O-CD2 3.39Å; C449-F453 PolarHBondContact O-N 2.81Å; C449-F453 VanDerWaalsContact O-N 3.13Å
450	K	86.9	Confident	87.2	Confident	83 Å²	83	80.6 Å²	80.6	36%	0.361	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-26.3	178.9	-82	168.4	-77.1	167.9	0	114.3	W446 A447 V448 M455 N458	W446-K450 WeakPolarHBondContact O-CE 3.26Å; W446-K450 WeakPolarHBondContact O-CG 3.1Å; W446-K450 PolarHBondContact O-N 3.19Å; A447-K450 WeakPolarHBondContact O-CB 3.48Å; A447-K450 PolarHBondContact O-N 3.23Å; A447-K450 VanDerWaalsContact O-N 3.12Å; V448-K450 VanDerWaalsContact C-N 3.32Å; V448-K450 PolarHBondContact O-N 2.9Å; K450-M455 HydrophobicContact CB-CG 4.32Å; K450-M455 HydrophobicContact CG-CE 3.64Å; K450-M455 HydrophobicContact CG-CG 4.14Å; K450-M455 HydrophobicContact CG-SD 4.41Å; K450-N458 HydrophobicContact CD-CB 4.42Å
451	E	88.6	Confident	88.2	Confident	166 Å²	166	74.2 Å²	74.2	78%	0.776	38%	0.376	S	S	*	.	H	α-helix	trans	-88	-27	-179.7	-70.3	179.8	179.4	0	0	113	A447 V448 C449	A447-E451 PolarHBondContact O-N 2.99Å; A447-E451 VanDerWaalsContact O-N 3.17Å; V448-E451 PolarHBondContact O-N 2.84Å; C449-E451 VanDerWaalsContact C-N 3.28Å; C449-E451 PolarHBondContact O-N 2.84Å
452	N	87.9	Confident	89	Confident	107 Å²	107	78 Å²	78	57%	0.572	39%	0.388	S	S	*	.	H	α-helix	trans	-106.3	-17.2	-171.2	-66.7	-75.8	0	0	0	115	V448 C449	V448-N452 WeakPolarHBondContact CG1-ND2 3.4Å; V448-N452 PolarHBondContact O-N 3Å; V448-N452 PolarHBondContact O-ND2 2.95Å; C449-N452 PolarHBondContact O-N 3.07Å
453	F	92.9	Very high	89.7	Confident	32 Å²	32	78.1 Å²	78.1	14%	0.14	39%	0.386	C	S	.	.	S	Bend	trans	-122.3	163.9	-177	-57.2	-63.4	0	0	0	113.3	C449 M455 L460 D467 L468 M471	C449-F453 HydrophobicContact CB-CD2 4.21Å; C449-F453 WeakPolarHBondContact O-CD2 3.39Å; C449-F453 PolarHBondContact O-N 2.81Å; C449-F453 VanDerWaalsContact O-N 3.13Å; F453-M455 PolarHBondContact O-N 2.9Å; F453-L460 HydrophobicContact CB-CD1 3.86Å; F453-D467 HydrophobicContact CD1-CB 4.09Å; F453-L468 HydrophobicContact CD1-CB 4.23Å; F453-L468 HydrophobicContact CD2-CB 4.31Å; F453-L468 HydrophobicContact CD2-CD1 4.16Å; F453-L468 HydrophobicContact CD2-CG 4.45Å; F453-L468 VanDerWaalsContact CE1-CA 3.47Å; F453-L468 HydrophobicContact CE1-CB 3.95Å; F453-L468 HydrophobicContact CE2-CB 4.03Å; F453-L468 HydrophobicContact CE2-CD1 3.92Å; F453-L468 HydrophobicContact CE2-CG 3.89Å; F453-L468 HydrophobicContact CG-CB 4.41Å; F453-L468 HydrophobicContact CZ-CB 3.84Å; F453-L468 HydrophobicContact CZ-CD1 4.49Å; F453-L468 HydrophobicContact CZ-CG 3.96Å; F453-M471 HydrophobicContact CE1-CB 4.34Å; F453-M471 HydrophobicContact CE1-SD 4.24Å; F453-M471 HydrophobicContact CZ-CB 4.34Å; F453-M471 HydrophobicContact CZ-CE 3.86Å; F453-M471 HydrophobicContact CZ-SD 3.67Å
454	D	93.4	Very high	90.1	Very high	80 Å²	80	70.9 Å²	70.9	43%	0.428	35%	0.352	S	S	.	.			trans	-67.5	115.7	176.6	-179	42.4	0	0	0	111.2	T461	D454-T461 WeakPolarHBondContact O-CG2 3.41Å; D454-T461 PolarHBondContact O-N 2.63Å; D454-T461 VanDerWaalsContact O-N 3.08Å; D454-T461 PolarHBondContact O-OG1 2.68Å; D454-T461 WeakPolarHBondContact OD2-CB 3.14Å; D454-T461 WeakPolarHBondContact OD2-CG2 3.4Å; D454-T461 PolarHBondContact OD2-OG1 2.98Å
455	M	92.8	Very high	90.6	Very high	39 Å²	39	64.4 Å²	64.4	19%	0.192	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.6	-179.4	-56.4	-58.9	-75.1	0	0	111.3	W446 K450 F453 N458 E459 L460	W446-M455 HydrophobicContact CH2-CE 4.25Å; W446-M455 HydrophobicContact CZ2-CE 3.71Å; K450-M455 HydrophobicContact CB-CG 4.32Å; K450-M455 HydrophobicContact CG-CE 3.64Å; K450-M455 HydrophobicContact CG-CG 4.14Å; K450-M455 HydrophobicContact CG-SD 4.41Å; F453-M455 PolarHBondContact O-N 2.9Å; M455-N458 WeakPolarHBondContact CE-O 3.32Å; M455-E459 CarbonylContact C-O 3.6Å; M455-E459 WeakPolarHBondContact CA-O 3.37Å; M455-L460 HydrophobicContact CE-CB 4.03Å; M455-L460 VanDerWaalsContact CE-N 3.35Å; M455-L460 VanDerWaalsContact SD-CA 3.57Å; M455-L460 HydrophobicContact SD-CB 3.92Å; M455-L460 HydrophobicContact SD-CD1 3.48Å; M455-L460 WeakPolarHBondContact SD-CD1 3.25Å; M455-L460 HydrophobicContact SD-CG 4.32Å
456	K	93.8	Very high	91.3	Very high	129 Å²	129	63 Å²	63	56%	0.561	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.1	171.4	-171.9	172.6	-178.1	176.7	0	109.3	L423 N458 E459 T461	L423-K456 HydrophobicContact CD1-CB 4.05Å; L423-K456 HydrophobicContact CD1-CD 4.39Å; L423-K456 HydrophobicContact CD1-CG 4.23Å; L423-K456 HydrophobicContact CD2-CB 3.91Å; L423-K456 HydrophobicContact CD2-CD 4.29Å; K456-N458 PolarHBondContact O-N 3.06Å; K456-E459 PolarHBondContact N-O 2.97Å; K456-E459 WeakPolarHBondContact O-CB 3.28Å; K456-E459 PolarHBondContact O-N 2.96Å; K456-E459 VanDerWaalsContact O-O 3.14Å; K456-T461 HydrophobicContact CB-CG2 3.9Å
457	K	90.4	Very high	91.6	Very high	164 Å²	164	65.3 Å²	65.3	71%	0.713	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	28.1	-174.9	-53.5	173.6	-178.2	170	0	114.8	E459	K457-E459 VanDerWaalsContact C-N 3.29Å
458	N	90.1	Very high	91.8	Very high	124 Å²	124	64.4 Å²	64.4	66%	0.663	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	16.2	-172.7	-47	-27.2	0	0	0	115.1	K450 M455 K456	K450-N458 HydrophobicContact CD-CB 4.42Å; M455-N458 WeakPolarHBondContact CE-O 3.32Å; K456-N458 PolarHBondContact O-N 3.06Å
459	E	95	Very high	92.1	Very high	42 Å²	42	60.4 Å²	60.4	20%	0.196	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.8	177.2	-58.9	169.7	144.2	0	0	109.3	L423 L424 M455 K456 K457	L423-E459 HydrophobicContact CB-CB 3.62Å; L423-E459 HydrophobicContact CD1-CB 4.22Å; L423-E459 WeakPolarHBondContact CD1-OE2 3.39Å; L423-E459 HydrophobicContact CG-CB 4.5Å; L424-E459 CarbonylContact O-C 3.47Å; L424-E459 VanDerWaalsContact O-CA 3.29Å; L424-E459 WeakPolarHBondContact O-CA 3.39Å; L424-E459 WeakPolarHBondContact O-CB 3.4Å; M455-E459 CarbonylContact C-O 3.6Å; M455-E459 WeakPolarHBondContact CA-O 3.37Å; K456-E459 PolarHBondContact N-O 2.97Å; K456-E459 WeakPolarHBondContact O-CB 3.28Å; K456-E459 PolarHBondContact O-N 2.96Å; K456-E459 VanDerWaalsContact O-O 3.14Å; K457-E459 VanDerWaalsContact C-N 3.29Å
460	L	95.1	Very high	92.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.9	-172.7	-175.4	68.1	0	0	0	110.4	L423 L424 Y429 W446 F453 M455 F465 L468	L423-L460 CarbonylContact C-O 3.59Å; L423-L460 WeakPolarHBondContact CA-O 3.32Å; L424-L460 HydrophobicContact CB-CB 4.24Å; L424-L460 HydrophobicContact CD1-CD2 4.49Å; L424-L460 PolarHBondContact N-O 2.84Å; L424-L460 PolarHBondContact O-N 2.99Å; Y429-L460 HydrophobicContact CD2-CD2 4.25Å; Y429-L460 HydrophobicContact CE2-CD2 4.3Å; W446-L460 HydrophobicContact CH2-CB 3.86Å; W446-L460 HydrophobicContact CZ2-CB 4.47Å; F453-L460 HydrophobicContact CB-CD1 3.86Å; M455-L460 HydrophobicContact CE-CB 4.03Å; M455-L460 VanDerWaalsContact CE-N 3.35Å; M455-L460 VanDerWaalsContact SD-CA 3.57Å; M455-L460 HydrophobicContact SD-CB 3.92Å; M455-L460 HydrophobicContact SD-CD1 3.48Å; M455-L460 WeakPolarHBondContact SD-CD1 3.25Å; M455-L460 HydrophobicContact SD-CG 4.32Å; L460-F465 HydrophobicContact CD2-CB 4.02Å; L460-F465 HydrophobicContact CD2-CD2 4.1Å; L460-F465 HydrophobicContact CG-CB 4.35Å; L460-L468 HydrophobicContact CD2-CD1 4.29Å
461	T	96.8	Very high	92.6	Very high	14 Å²	14	61.3 Å²	61.3	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	167.6	178.9	80.7	0	0	0	0	111.7	L423 D454 K456 Q463 G464 F465	L423-T461 HydrophobicContact CD2-CG2 3.95Å; D454-T461 WeakPolarHBondContact O-CG2 3.41Å; D454-T461 PolarHBondContact O-N 2.63Å; D454-T461 VanDerWaalsContact O-N 3.08Å; D454-T461 PolarHBondContact O-OG1 2.68Å; D454-T461 WeakPolarHBondContact OD2-CB 3.14Å; D454-T461 WeakPolarHBondContact OD2-CG2 3.4Å; D454-T461 PolarHBondContact OD2-OG1 2.98Å; K456-T461 HydrophobicContact CB-CG2 3.9Å; T461-Q463 PolarHBondContact O-N 2.83Å; T461-Q463 PolarHBondContact OG1-N 3.47Å; T461-Q463 VanDerWaalsContact OG1-N 3.12Å; T461-G464 PolarHBondContact O-N 3.35Å; T461-G464 PolarHBondContact OG1-N 2.97Å; T461-F465 PolarHBondContact O-N 3.02Å
462	R	95.3	Very high	92.4	Very high	95 Å²	95	55.8 Å²	55.8	36%	0.358	27%	0.268	S	S	.	.	H	α-helix	trans	-53.7	-35.1	168.8	-71.4	-176.4	-174.1	78.9	-1.3	112.6	F413 E414 G422 M466	F413-R462 HydrophobicContact CD1-CG 3.57Å; F413-R462 HydrophobicContact CD2-CB 4.48Å; F413-R462 HydrophobicContact CD2-CG 4.02Å; F413-R462 HydrophobicContact CE1-CG 3.36Å; F413-R462 HydrophobicContact CE2-CB 4.27Å; F413-R462 HydrophobicContact CE2-CG 3.81Å; F413-R462 HydrophobicContact CG-CG 3.91Å; F413-R462 HydrophobicContact CZ-CB 4.34Å; F413-R462 HydrophobicContact CZ-CG 3.49Å; F413-R462 VanDerWaalsContact CZ-CG 3.49Å; E414-R462 IonicContact OE1-CZ 2.94Å; E414-R462 IonicContact OE1-NE 2.71Å; E414-R462 PolarHBondContact OE1-NE 2.74Å; E414-R462 IonicContact OE1-NH2 3.96Å; E414-R462 PolarHBondContact OE1-NH2 2.9Å; E414-R462 IonicContact OE2-NH2 2.81Å; G422-R462 PolarHBondContact O-NH1 2.86Å; G422-R462 VanDerWaalsContact O-NH1 3.11Å; R462-M466 WeakPolarHBondContact O-CG 3.42Å; R462-M466 PolarHBondContact O-N 3Å
463	Q	95.5	Very high	92.5	Very high	91 Å²	91	50.8 Å²	50.8	43%	0.425	24%	0.241	S	C	.	.	H	α-helix	trans	-75.7	-47.3	179.2	-174.7	54.5	52.5	0	0	110.5	T461 F465 M466 D467	T461-Q463 PolarHBondContact O-N 2.83Å; T461-Q463 PolarHBondContact OG1-N 3.47Å; T461-Q463 VanDerWaalsContact OG1-N 3.12Å; Q463-F465 VanDerWaalsContact C-N 3.27Å; Q463-F465 PolarHBondContact O-N 3.12Å; Q463-M466 WeakPolarHBondContact O-CA 3.49Å; Q463-M466 WeakPolarHBondContact O-CB 3.35Å; Q463-M466 PolarHBondContact O-N 2.93Å; Q463-D467 WeakPolarHBondContact CG-OD2 3.28Å; Q463-D467 PolarHBondContact NE2-OD1 2.92Å; Q463-D467 PolarHBondContact NE2-OD2 3.02Å; Q463-D467 VanDerWaalsContact O-CG 3.29Å; Q463-D467 PolarHBondContact O-N 2.96Å
464	G	94.1	Very high	92.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-38	175.7	0	0	0	0	0	113.2	T461 D467 L468	T461-G464 PolarHBondContact O-N 3.35Å; T461-G464 PolarHBondContact OG1-N 2.97Å; G464-D467 PolarHBondContact O-N 3.06Å; G464-L468 WeakPolarHBondContact O-CB 3.04Å; G464-L468 PolarHBondContact O-N 3.34Å
465	F	94.8	Very high	91.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-37.2	174	-175.8	-106.1	0	0	0	113.2	L409 V412 F413 I416 L424 Y429 F432 L460 T461 Q463 N469	L409-F465 HydrophobicContact CB-CE1 4.38Å; L409-F465 HydrophobicContact CD2-CE1 4.08Å; V412-F465 HydrophobicContact CG1-CE1 4.14Å; V412-F465 HydrophobicContact CG1-CZ 3.86Å; F413-F465 HydrophobicContact CB-CD1 4.22Å; F413-F465 HydrophobicContact CB-CE1 4.42Å; F413-F465 HydrophobicContact CD2-CB 3.85Å; F413-F465 AromaticContact CD2-CD1 3.97Å; F413-F465 HydrophobicContact CD2-CD1 3.97Å; F413-F465 AromaticContact CD2-CG 3.96Å; F413-F465 HydrophobicContact CD2-CG 3.96Å; F413-F465 HydrophobicContact CE2-CB 4.17Å; I416-F465 HydrophobicContact CD1-CE2 4.02Å; I416-F465 HydrophobicContact CD1-CZ 4.12Å; L424-F465 HydrophobicContact CD1-CD2 4Å; L424-F465 HydrophobicContact CD1-CG 4.38Å; Y429-F465 HydrophobicContact CE2-CE2 4.5Å; F432-F465 HydrophobicContact CE1-CE2 4.36Å; F432-F465 HydrophobicContact CE2-CE2 4.24Å; F432-F465 AromaticContact CE2-CZ 3.98Å; F432-F465 HydrophobicContact CE2-CZ 3.98Å; F432-F465 HydrophobicContact CZ-CE2 4.08Å; F432-F465 HydrophobicContact CZ-CZ 4.11Å; L460-F465 HydrophobicContact CD2-CB 4.02Å; L460-F465 HydrophobicContact CD2-CD2 4.1Å; L460-F465 HydrophobicContact CG-CB 4.35Å; T461-F465 PolarHBondContact O-N 3.02Å; Q463-F465 VanDerWaalsContact C-N 3.27Å; Q463-F465 PolarHBondContact O-N 3.12Å; F465-N469 PolarHBondContact O-N 2.97Å; F465-N469 PolarHBondContact O-ND2 3.08Å
466	M	93.7	Very high	91.5	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-41.9	173.8	-65.9	-77.5	158.4	0	0	111.5	R406 L409 L410 R462 Q463 L468 N469 L470	R406-M466 HydrophobicContact CB-SD 4.49Å; R406-M466 HydrophobicContact CG-SD 4.4Å; L409-M466 HydrophobicContact CB-CE 3.45Å; L409-M466 VanDerWaalsContact CB-CE 3.45Å; L409-M466 HydrophobicContact CB-SD 3.77Å; L409-M466 HydrophobicContact CD1-SD 3.9Å; L410-M466 HydrophobicContact CB-CE 4.37Å; L410-M466 HydrophobicContact CD2-CE 3.65Å; L410-M466 HydrophobicContact CG-CE 3.6Å; R462-M466 WeakPolarHBondContact O-CG 3.42Å; R462-M466 PolarHBondContact O-N 3Å; Q463-M466 WeakPolarHBondContact O-CA 3.49Å; Q463-M466 WeakPolarHBondContact O-CB 3.35Å; Q463-M466 PolarHBondContact O-N 2.93Å; M466-L468 VanDerWaalsContact C-N 3.35Å; M466-N469 PolarHBondContact O-N 3.28Å; M466-L470 WeakPolarHBondContact O-CB 3.48Å; M466-L470 PolarHBondContact O-N 3.29Å
467	D	93.2	Very high	91.2	Very high	57 Å²	57	59.5 Å²	59.5	31%	0.305	28%	0.282	S	S	.	.	H	α-helix	trans	-69.2	-34.6	-178.8	-62.1	-31.1	0	0	0	111.4	F453 Q463 G464 L470 M471	F453-D467 HydrophobicContact CD1-CB 4.09Å; Q463-D467 WeakPolarHBondContact CG-OD2 3.28Å; Q463-D467 PolarHBondContact NE2-OD1 2.92Å; Q463-D467 PolarHBondContact NE2-OD2 3.02Å; Q463-D467 VanDerWaalsContact O-CG 3.29Å; Q463-D467 PolarHBondContact O-N 2.96Å; G464-D467 PolarHBondContact O-N 3.06Å; D467-L470 PolarHBondContact O-N 3.18Å; D467-M471 PolarHBondContact O-N 2.93Å
468	L	90.4	Very high	90.9	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-49.3	171.5	-173.2	160.3	0	0	0	111.9	Y429 F453 L460 G464 M466 L470 M471 E472	Y429-L468 HydrophobicContact CE2-CD1 4.2Å; F453-L468 HydrophobicContact CD1-CB 4.23Å; F453-L468 HydrophobicContact CD2-CB 4.31Å; F453-L468 HydrophobicContact CD2-CD1 4.16Å; F453-L468 HydrophobicContact CD2-CG 4.45Å; F453-L468 VanDerWaalsContact CE1-CA 3.47Å; F453-L468 HydrophobicContact CE1-CB 3.95Å; F453-L468 HydrophobicContact CE2-CB 4.03Å; F453-L468 HydrophobicContact CE2-CD1 3.92Å; F453-L468 HydrophobicContact CE2-CG 3.89Å; F453-L468 HydrophobicContact CG-CB 4.41Å; F453-L468 HydrophobicContact CZ-CB 3.84Å; F453-L468 HydrophobicContact CZ-CD1 4.49Å; F453-L468 HydrophobicContact CZ-CG 3.96Å; L460-L468 HydrophobicContact CD2-CD1 4.29Å; G464-L468 WeakPolarHBondContact O-CB 3.04Å; G464-L468 PolarHBondContact O-N 3.34Å; M466-L468 VanDerWaalsContact C-N 3.35Å; L468-L470 VanDerWaalsContact C-N 3.26Å; L468-L470 PolarHBondContact O-N 2.81Å; L468-M471 WeakPolarHBondContact O-CB 3.31Å; L468-M471 PolarHBondContact O-N 2.84Å; L468-M471 VanDerWaalsContact O-N 3.17Å; L468-E472 PolarHBondContact O-N 3.24Å
469	N	90.7	Very high	90.8	Very high	2 Å²	2	50 Å²	50	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-28.6	176.6	-77.9	-101.7	0	0	0	112.3	L409 F465 M466 A473 L483	L409-N469 HydrophobicContact CD1-CB 3.74Å; L409-N469 HydrophobicContact CD2-CB 4.37Å; L409-N469 WeakPolarHBondContact CD2-OD1 3.39Å; F465-N469 PolarHBondContact O-N 2.97Å; F465-N469 PolarHBondContact O-ND2 3.08Å; M466-N469 PolarHBondContact O-N 3.28Å; N469-A473 PolarHBondContact O-N 3.36Å; N469-L483 HydrophobicContact CB-CD2 4.42Å
470	L	90.8	Very high	90.5	Very high	33 Å²	33	49.9 Å²	49.9	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-74.4	-34.2	172.8	179.8	58.5	0	0	0	112.1	L401 M466 D467 L468 A473 N474	L401-L470 HydrophobicContact CD1-CB 4.3Å; L401-L470 HydrophobicContact CD2-CB 4.1Å; L401-L470 HydrophobicContact CD2-CD1 3.75Å; L401-L470 HydrophobicContact CG-CB 4.12Å; L401-L470 HydrophobicContact CG-CD1 4.05Å; M466-L470 WeakPolarHBondContact O-CB 3.48Å; M466-L470 PolarHBondContact O-N 3.29Å; D467-L470 PolarHBondContact O-N 3.18Å; L468-L470 VanDerWaalsContact C-N 3.26Å; L468-L470 PolarHBondContact O-N 2.81Å; L470-A473 PolarHBondContact O-N 2.98Å; L470-N474 PolarHBondContact O-N 3.34Å; L470-N474 PolarHBondContact O-ND2 3Å
471	M	88.6	Confident	90.1	Very high	86 Å²	86	52.7 Å²	52.7	42%	0.424	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-46.6	172.2	-170.7	-172.3	76.9	0	0	110.7	F453 D467 L468 A473 N474 D475	F453-M471 HydrophobicContact CE1-CB 4.34Å; F453-M471 HydrophobicContact CE1-SD 4.24Å; F453-M471 HydrophobicContact CZ-CB 4.34Å; F453-M471 HydrophobicContact CZ-CE 3.86Å; F453-M471 HydrophobicContact CZ-SD 3.67Å; D467-M471 PolarHBondContact O-N 2.93Å; L468-M471 WeakPolarHBondContact O-CB 3.31Å; L468-M471 PolarHBondContact O-N 2.84Å; L468-M471 VanDerWaalsContact O-N 3.17Å; M471-A473 VanDerWaalsContact C-N 3.26Å; M471-A473 PolarHBondContact O-N 3.08Å; M471-N474 WeakPolarHBondContact O-CA 3.34Å; M471-N474 WeakPolarHBondContact O-CB 3.28Å; M471-N474 PolarHBondContact O-N 3.31Å; M471-D475 PolarHBondContact O-N 2.93Å
472	E	86.2	Confident	89.4	Confident	51 Å²	51	53.3 Å²	53.3	24%	0.238	27%	0.269	C	S	.	.	H	α-helix	trans	-56.4	-39.7	175.9	-171.5	-172.7	157.5	0	0	112.2	L468 R476 D482 L483	L468-E472 PolarHBondContact O-N 3.24Å; E472-R476 PolarHBondContact O-N 2.83Å; E472-D482 VanDerWaalsContact OE1-CB 3.25Å; E472-D482 WeakPolarHBondContact OE1-CB 3.32Å; E472-L483 HydrophobicContact CB-CD2 4.25Å; E472-L483 HydrophobicContact CG-CD2 4.2Å; E472-L483 PolarHBondContact OE1-N 2.86Å; E472-L483 WeakPolarHBondContact OE2-CD2 3.5Å
473	A	88.4	Confident	88.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-38.8	173.5	0	0	0	0	0	113.2	V391 N469 L470 M471 R476 G478 L483	V391-A473 HydrophobicContact CG1-CB 3.89Å; N469-A473 PolarHBondContact O-N 3.36Å; L470-A473 PolarHBondContact O-N 2.98Å; M471-A473 VanDerWaalsContact C-N 3.26Å; M471-A473 PolarHBondContact O-N 3.08Å; A473-R476 PolarHBondContact O-N 3.42Å; A473-G478 WeakPolarHBondContact O-CA 3.47Å; A473-G478 PolarHBondContact O-N 3.48Å; A473-L483 HydrophobicContact CB-CD1 4Å
474	N	88.3	Confident	88.7	Confident	63 Å²	63	45 Å²	45	34%	0.337	23%	0.233	S	C	.	.	H	α-helix	trans	-70.2	-42.1	179.7	-82.2	-61.1	0	0	0	112.1	L399 L470 M471 R476 E477	L399-N474 WeakPolarHBondContact CB-OD1 3.36Å; L399-N474 WeakPolarHBondContact CD1-OD1 3.48Å; L470-N474 PolarHBondContact O-N 3.34Å; L470-N474 PolarHBondContact O-ND2 3Å; M471-N474 WeakPolarHBondContact O-CA 3.34Å; M471-N474 WeakPolarHBondContact O-CB 3.28Å; M471-N474 PolarHBondContact O-N 3.31Å; N474-R476 PolarHBondContact O-N 2.96Å; N474-R476 VanDerWaalsContact O-N 3.1Å; N474-E477 PolarHBondContact O-N 2.9Å
475	D	85.1	Confident	88.3	Confident	123 Å²	123	48.5 Å²	48.5	66%	0.658	26%	0.255	S	S	*	.	H	α-helix	trans	-60.2	-21.3	176.6	-71.5	-17.5	0	0	0	112.7	M471	M471-D475 PolarHBondContact O-N 2.93Å
476	R	84.6	Confident	87.9	Confident	111 Å²	111	49.4 Å²	49.4	42%	0.419	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	13.4	175.6	-72.1	-66.9	-167.4	-165.7	-3.8	114	E472 A473 N474 G478 D479 D482	E472-R476 PolarHBondContact O-N 2.83Å; A473-R476 PolarHBondContact O-N 3.42Å; N474-R476 PolarHBondContact O-N 2.96Å; N474-R476 VanDerWaalsContact O-N 3.1Å; R476-G478 PolarHBondContact O-N 3.09Å; R476-D479 HydrophobicContact CB-CB 4.18Å; R476-D479 WeakPolarHBondContact O-CB 3.38Å; R476-D479 PolarHBondContact O-N 3.3Å; R476-D482 IonicContact CZ-OD1 2.98Å; R476-D482 IonicContact CZ-OD2 3.82Å; R476-D482 VanDerWaalsContact CZ-OD2 3.25Å; R476-D482 IonicContact NE-OD1 2.71Å; R476-D482 IonicContact NE-OD2 3.33Å; R476-D482 PolarHBondContact NE-OD2 3.42Å; R476-D482 IonicContact NH2-OD1 3.25Å; R476-D482 IonicContact NH2-OD2 2.69Å; R476-D482 PolarHBondContact NH2-OD2 3.44Å
477	E	87.1	Confident	87.8	Confident	167 Å²	167	49 Å²	49	78%	0.78	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	17.4	-175.4	-59.6	-174.4	-174.3	0	0	114.8	R393 N474	R393-E477 PolarHBondContact NH2-O 3.33Å; R393-E477 VanDerWaalsContact NH2-O 3.13Å; N474-E477 PolarHBondContact O-N 2.9Å
478	G	84.6	Confident	87.6	Confident	17 Å²	17	50.4 Å²	50.4	18%	0.175	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	100	6.6	-176.5	0	0	0	0	0	115.5	V391 A473 R476 P480	V391-G478 WeakPolarHBondContact CG2-O 3.4Å; A473-G478 WeakPolarHBondContact O-CA 3.47Å; A473-G478 PolarHBondContact O-N 3.48Å; R476-G478 PolarHBondContact O-N 3.09Å; G478-P480 WeakPolarHBondContact O-CD 3.13Å
479	D	88.4	Confident	87.5	Confident	72 Å²	72	51 Å²	51	39%	0.385	27%	0.27	S	S	.	.			trans	-68.4	116.6	169.9	171.7	17.5	0	0	0	110.7	R476 S481	R476-D479 HydrophobicContact CB-CB 4.18Å; R476-D479 WeakPolarHBondContact O-CB 3.38Å; R476-D479 PolarHBondContact O-N 3.3Å; D479-S481 PolarHBondContact O-N 2.65Å; D479-S481 VanDerWaalsContact OD1-CB 3.26Å; D479-S481 WeakPolarHBondContact OD1-CB 3.2Å; D479-S481 PolarHBondContact OD1-N 2.94Å; D479-S481 PolarHBondContact OD1-OG 2.82Å; D479-S481 PolarHBondContact OD2-OG 2.61Å
480	P	88.9	Confident	87.5	Confident	39 Å²	39	51.2 Å²	51.2	25%	0.253	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	5.1	-176.5	35.5	-37.9	0	0	0	114	L390 G478 D482 W484	L390-P480 HydrophobicContact CB-CB 4.15Å; L390-P480 HydrophobicContact CD1-CB 3.87Å; L390-P480 HydrophobicContact CG-CB 4.08Å; G478-P480 WeakPolarHBondContact O-CD 3.13Å; P480-D482 VanDerWaalsContact C-N 3.31Å; P480-D482 PolarHBondContact O-N 2.94Å; P480-W484 WeakPolarHBondContact O-CB 3.38Å; P480-W484 VanDerWaalsContact O-CD1 3.23Å; P480-W484 PolarHBondContact O-N 3.08Å
481	S	86.1	Confident	87.5	Confident	59 Å²	59	49.9 Å²	49.9	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-56.9	-39	-171.9	-66.6	0	0	0	0	114	D479 W484 V485	D479-S481 PolarHBondContact O-N 2.65Å; D479-S481 VanDerWaalsContact OD1-CB 3.26Å; D479-S481 WeakPolarHBondContact OD1-CB 3.2Å; D479-S481 PolarHBondContact OD1-N 2.94Å; D479-S481 PolarHBondContact OD1-OG 2.82Å; D479-S481 PolarHBondContact OD2-OG 2.61Å; S481-W484 PolarHBondContact O-N 3.2Å; S481-V485 PolarHBondContact O-N 2.73Å
482	D	81.9	Confident	87.6	Confident	27 Å²	27	46.1 Å²	46.1	14%	0.144	25%	0.248	C	C	.	.	H	α-helix	trans	-77.8	-47.1	-174.9	-66.1	23.9	0	0	0	110.5	K26 E472 R476 P480 W484 V485 T486	K26-D482 IonicContact NZ-OD1 3.06Å; K26-D482 PolarHBondContact NZ-OD1 3.31Å; K26-D482 IonicContact NZ-OD2 3.57Å; K26-D482 PolarHBondContact NZ-OD2 2.86Å; E472-D482 VanDerWaalsContact OE1-CB 3.25Å; E472-D482 WeakPolarHBondContact OE1-CB 3.32Å; R476-D482 IonicContact CZ-OD1 2.98Å; R476-D482 IonicContact CZ-OD2 3.82Å; R476-D482 VanDerWaalsContact CZ-OD2 3.25Å; R476-D482 IonicContact NE-OD1 2.71Å; R476-D482 IonicContact NE-OD2 3.33Å; R476-D482 PolarHBondContact NE-OD2 3.42Å; R476-D482 IonicContact NH2-OD1 3.25Å; R476-D482 IonicContact NH2-OD2 2.69Å; R476-D482 PolarHBondContact NH2-OD2 3.44Å; P480-D482 VanDerWaalsContact C-N 3.31Å; P480-D482 PolarHBondContact O-N 2.94Å; D482-W484 PolarHBondContact O-N 3.27Å; D482-V485 WeakPolarHBondContact O-CA 3.5Å; D482-V485 WeakPolarHBondContact O-CB 3.25Å; D482-V485 PolarHBondContact O-N 2.84Å; D482-T486 PolarHBondContact O-N 3.45Å; D482-T486 VanDerWaalsContact O-N 3.1Å
483	L	86.6	Confident	87.8	Confident	2 Å²	2	45 Å²	45	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-53.9	-34.7	169.4	-61.5	173.9	0	0	0	112.9	L390 F405 N469 E472 A473 T486 L487	L390-L483 HydrophobicContact CD1-CB 3.64Å; L390-L483 HydrophobicContact CD1-CD1 4.36Å; F405-L483 HydrophobicContact CE1-CD1 3.8Å; F405-L483 HydrophobicContact CZ-CB 4.23Å; F405-L483 HydrophobicContact CZ-CD1 4.04Å; F405-L483 HydrophobicContact CZ-CD2 4.11Å; F405-L483 HydrophobicContact CZ-CG 4.37Å; N469-L483 HydrophobicContact CB-CD2 4.42Å; E472-L483 HydrophobicContact CB-CD2 4.25Å; E472-L483 HydrophobicContact CG-CD2 4.2Å; E472-L483 PolarHBondContact OE1-N 2.86Å; E472-L483 WeakPolarHBondContact OE2-CD2 3.5Å; A473-L483 HydrophobicContact CB-CD1 4Å; L483-T486 WeakPolarHBondContact O-CB 3.31Å; L483-T486 PolarHBondContact O-N 3.07Å; L483-L487 WeakPolarHBondContact O-CB 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.4Å; L483-L487 PolarHBondContact O-N 2.73Å
484	W	91.1	Very high	87.9	Confident	8 Å²	8	48.3 Å²	48.3	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-68.7	-36.9	174.5	-87.1	130.4	0	0	0	113.4	E387 A388 L390 P480 S481 D482 T486 L487 L488 K494 L496	E387-W484 HydrophobicContact CG-CZ2 3.84Å; E387-W484 PolarHBondContact OE1-NE1 3.31Å; A388-W484 HydrophobicContact CB-CH2 4.31Å; A388-W484 WeakPolarHBondContact O-CZ2 3.48Å; L390-W484 HydrophobicContact CD1-CD2 3.87Å; L390-W484 HydrophobicContact CD1-CE3 4.39Å; L390-W484 HydrophobicContact CD1-CG 4.05Å; L390-W484 HydrophobicContact CD1-CZ2 4.38Å; L390-W484 HydrophobicContact CD2-CD2 4.44Å; L390-W484 HydrophobicContact CD2-CH2 3.74Å; L390-W484 HydrophobicContact CD2-CZ2 3.64Å; L390-W484 HydrophobicContact CD2-CZ3 4.2Å; L390-W484 HydrophobicContact CG-CD2 4.33Å; L390-W484 HydrophobicContact CG-CH2 4.48Å; L390-W484 HydrophobicContact CG-CZ2 3.94Å; P480-W484 WeakPolarHBondContact O-CB 3.38Å; P480-W484 VanDerWaalsContact O-CD1 3.23Å; P480-W484 PolarHBondContact O-N 3.08Å; S481-W484 PolarHBondContact O-N 3.2Å; D482-W484 PolarHBondContact O-N 3.27Å; W484-T486 VanDerWaalsContact C-N 3.35Å; W484-L487 HydrophobicContact CD2-CD1 4.43Å; W484-L487 HydrophobicContact CE3-CB 4.12Å; W484-L487 HydrophobicContact CE3-CD1 3.68Å; W484-L487 HydrophobicContact CZ3-CB 4.48Å; W484-L487 HydrophobicContact CZ3-CD1 3.75Å; W484-L487 PolarHBondContact O-N 3.48Å; W484-L488 WeakPolarHBondContact O-CB 3.45Å; W484-L488 WeakPolarHBondContact O-CD1 3.49Å; W484-L488 WeakPolarHBondContact O-CG 3.35Å; W484-L488 PolarHBondContact O-N 3.42Å; W484-K494 HydrophobicContact CD2-CD 3.73Å; W484-K494 VanDerWaalsContact CD2-NZ 3.34Å; W484-K494 HydrophobicContact CE3-CD 3.72Å; W484-K494 HydrophobicContact CG-CD 4.41Å; W484-K494 HydrophobicContact CH2-CB 4.48Å; W484-K494 HydrophobicContact CH2-CD 3.91Å; W484-K494 VanDerWaalsContact CH2-O 3.32Å; W484-K494 WeakPolarHBondContact CH2-O 3.48Å; W484-K494 HydrophobicContact CZ2-CD 3.87Å; W484-K494 HydrophobicContact CZ3-CD 3.83Å; W484-L496 HydrophobicContact CH2-CD2 4.1Å; W484-L496 HydrophobicContact CH2-CG 4.26Å; W484-L496 HydrophobicContact CZ3-CD2 4.06Å
485	V	84.9	Confident	88	Confident	75 Å²	75	46.8 Å²	46.8	46%	0.455	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-47	172.9	174.3	0	0	0	0	109.6	S481 D482 L487 L488 S489	S481-V485 PolarHBondContact O-N 2.73Å; D482-V485 WeakPolarHBondContact O-CA 3.5Å; D482-V485 WeakPolarHBondContact O-CB 3.25Å; D482-V485 PolarHBondContact O-N 2.84Å; V485-L487 PolarHBondContact O-N 3.24Å; V485-L488 PolarHBondContact O-N 2.95Å; V485-S489 WeakPolarHBondContact O-CB 3.38Å; V485-S489 PolarHBondContact O-N 3.38Å; V485-S489 PolarHBondContact O-OG 2.94Å
486	T	86.2	Confident	88.3	Confident	19 Å²	19	42 Å²	42	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-54.8	-50.2	175.1	-65.4	0	0	0	0	112.1	F432 T436 D482 L483 W484 S489 L490	F432-T486 HydrophobicContact CE2-CG2 4.05Å; F432-T486 HydrophobicContact CZ-CG2 3.77Å; T436-T486 HydrophobicContact CG2-CG2 3.84Å; D482-T486 PolarHBondContact O-N 3.45Å; D482-T486 VanDerWaalsContact O-N 3.1Å; L483-T486 WeakPolarHBondContact O-CB 3.31Å; L483-T486 PolarHBondContact O-N 3.07Å; W484-T486 VanDerWaalsContact C-N 3.35Å; T486-S489 PolarHBondContact O-N 2.94Å; T486-L490 HydrophobicContact CG2-CD1 4.2Å; T486-L490 WeakPolarHBondContact O-CD1 3.17Å; T486-L490 VanDerWaalsContact O-CG 3.31Å; T486-L490 WeakPolarHBondContact O-CG 3.44Å; T486-L490 PolarHBondContact O-N 2.87Å
487	L	91.1	Very high	88.5	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-45.2	179	-77.1	167.9	0	0	0	113.4	L390 F405 A408 L483 W484 V485 S489 L490 G491 Y492 L496	L390-L487 HydrophobicContact CD1-CD1 3.8Å; L390-L487 HydrophobicContact CD2-CD1 3.83Å; F405-L487 HydrophobicContact CD2-CD1 4.03Å; F405-L487 HydrophobicContact CE2-CD1 3.68Å; F405-L487 HydrophobicContact CE2-CD2 4.12Å; F405-L487 HydrophobicContact CE2-CG 4.11Å; A408-L487 HydrophobicContact CB-CD2 4.47Å; L483-L487 WeakPolarHBondContact O-CB 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.4Å; L483-L487 PolarHBondContact O-N 2.73Å; W484-L487 HydrophobicContact CD2-CD1 4.43Å; W484-L487 HydrophobicContact CE3-CB 4.12Å; W484-L487 HydrophobicContact CE3-CD1 3.68Å; W484-L487 HydrophobicContact CZ3-CB 4.48Å; W484-L487 HydrophobicContact CZ3-CD1 3.75Å; W484-L487 PolarHBondContact O-N 3.48Å; V485-L487 PolarHBondContact O-N 3.24Å; L487-S489 VanDerWaalsContact C-N 3.35Å; L487-L490 CarbonylContact O-C 3.56Å; L487-L490 PolarHBondContact O-N 3.47Å; L487-L490 VanDerWaalsContact O-N 3.11Å; L487-G491 PolarHBondContact O-N 3.45Å; L487-Y492 HydrophobicContact CD2-CD2 4.03Å; L487-Y492 HydrophobicContact CD2-CE2 4.47Å; L487-Y492 HydrophobicContact CD2-CG 4.07Å; L487-Y492 WeakPolarHBondContact O-CB 3.44Å; L487-Y492 PolarHBondContact O-N 3.48Å; L487-Y492 VanDerWaalsContact O-N 3.07Å; L487-L496 HydrophobicContact CD1-CD2 3.56Å; L487-L496 HydrophobicContact CD2-CD2 4.18Å; L487-L496 HydrophobicContact CG-CD2 4.5Å
488	L	90.4	Very high	88.6	Confident	86 Å²	86	32.4 Å²	32.4	45%	0.45	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-43.1	178.9	-72.3	163.3	0	0	0	110.8	W484 V485 L490 G491 Y492	W484-L488 WeakPolarHBondContact O-CB 3.45Å; W484-L488 WeakPolarHBondContact O-CD1 3.49Å; W484-L488 WeakPolarHBondContact O-CG 3.35Å; W484-L488 PolarHBondContact O-N 3.42Å; V485-L488 PolarHBondContact O-N 2.95Å; L488-L490 PolarHBondContact O-N 2.71Å; L488-G491 PolarHBondContact O-N 3Å; L488-Y492 WeakPolarHBondContact CD2-O 3.3Å
489	S	87.8	Confident	88.8	Confident	27 Å²	27	33.7 Å²	33.7	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-23.1	173.9	-76.8	0	0	0	0	114.1	R435 V485 T486 L487	R435-S489 PolarHBondContact NE-O 3.36Å; R435-S489 PolarHBondContact NH1-O 2.86Å; R435-S489 VanDerWaalsContact NH1-O 3.07Å; R435-S489 PolarHBondContact NH2-O 3.22Å; V485-S489 WeakPolarHBondContact O-CB 3.38Å; V485-S489 PolarHBondContact O-N 3.38Å; V485-S489 PolarHBondContact O-OG 2.94Å; T486-S489 PolarHBondContact O-N 2.94Å; L487-S489 VanDerWaalsContact C-N 3.35Å
490	L	90.9	Very high	89	Confident	7 Å²	7	32 Å²	32	4%	0.037	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.1	175.6	-64.1	167.2	0	0	0	113	Y281 V412 F432 R435 T436 T486 L487 L488 Y492 A501	Y281-L490 HydrophobicContact CE1-CD2 4.22Å; V412-L490 HydrophobicContact CG1-CD1 3.84Å; V412-L490 HydrophobicContact CG2-CD1 3.85Å; F432-L490 HydrophobicContact CD2-CD1 4.11Å; F432-L490 HydrophobicContact CE2-CD1 3.74Å; R435-L490 HydrophobicContact CG-CD2 4.37Å; T436-L490 HydrophobicContact CG2-CD1 3.96Å; T436-L490 HydrophobicContact CG2-CD2 4.07Å; T436-L490 HydrophobicContact CG2-CG 3.9Å; T486-L490 HydrophobicContact CG2-CD1 4.2Å; T486-L490 WeakPolarHBondContact O-CD1 3.17Å; T486-L490 VanDerWaalsContact O-CG 3.31Å; T486-L490 WeakPolarHBondContact O-CG 3.44Å; T486-L490 PolarHBondContact O-N 2.87Å; L487-L490 CarbonylContact O-C 3.56Å; L487-L490 PolarHBondContact O-N 3.47Å; L487-L490 VanDerWaalsContact O-N 3.11Å; L488-L490 PolarHBondContact O-N 2.71Å; L490-Y492 HydrophobicContact CB-CD2 4.11Å; L490-Y492 HydrophobicContact CB-CE2 4.31Å; L490-A501 WeakPolarHBondContact O-CB 3.25Å
491	G	90.3	Very high	89.3	Confident	6 Å²	6	30.2 Å²	30.2	6%	0.062	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	15.6	175.2	0	0	0	0	0	115.3	L487 L488 I499 E500	L487-G491 PolarHBondContact O-N 3.45Å; L488-G491 PolarHBondContact O-N 3Å; G491-I499 PolarHBondContact O-N 3.03Å; G491-E500 PolarHBondContact O-N 2.77Å
492	Y	91.3	Very high	89.7	Confident	7 Å²	7	27.4 Å²	27.4	3%	0.027	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-83.4	141.8	172.4	-71.3	-98	0	0	0	111.9	A408 D411 V412 L487 L488 L490 E497 M498	A408-Y492 HydrophobicContact CB-CD1 4.43Å; A408-Y492 HydrophobicContact CB-CE1 3.91Å; A408-Y492 PolarHBondContact O-OH 2.87Å; D411-Y492 WeakPolarHBondContact CB-OH 3.39Å; V412-Y492 HydrophobicContact CG2-CE2 3.58Å; L487-Y492 HydrophobicContact CD2-CD2 4.03Å; L487-Y492 HydrophobicContact CD2-CE2 4.47Å; L487-Y492 HydrophobicContact CD2-CG 4.07Å; L487-Y492 WeakPolarHBondContact O-CB 3.44Å; L487-Y492 PolarHBondContact O-N 3.48Å; L487-Y492 VanDerWaalsContact O-N 3.07Å; L488-Y492 WeakPolarHBondContact CD2-O 3.3Å; L490-Y492 HydrophobicContact CB-CD2 4.11Å; L490-Y492 HydrophobicContact CB-CE2 4.31Å; Y492-E497 CarbonylContact C-O 3.55Å; Y492-E497 WeakPolarHBondContact CA-O 3.42Å; Y492-M498 HydrophobicContact CD1-CB 4.14Å; Y492-M498 HydrophobicContact CE1-CB 3.97Å; Y492-M498 HydrophobicContact CE1-CE 4.45Å; Y492-M498 HydrophobicContact CE2-CB 4.5Å; Y492-M498 HydrophobicContact CE2-CE 3.77Å; Y492-M498 HydrophobicContact CG-CB 4.49Å; Y492-M498 VanDerWaalsContact OH-CE 3.28Å; Y492-M498 WeakPolarHBondContact OH-CE 3.31Å
493	N	90.1	Very high	90.4	Very high	26 Å²	26	26.1 Å²	26.1	14%	0.139	14%	0.142	C	C	.	.			trans	-83.3	173.4	167.9	72.8	14.3	0	0	0	112.2	A495 L496 E497 I499	N493-A495 PolarHBondContact O-N 2.94Å; N493-A495 VanDerWaalsContact O-N 3.07Å; N493-A495 VanDerWaalsContact OD1-CA 3.29Å; N493-A495 WeakPolarHBondContact OD1-CA 3.49Å; N493-A495 WeakPolarHBondContact OD1-CB 3.46Å; N493-A495 PolarHBondContact OD1-N 2.95Å; N493-L496 PolarHBondContact O-N 2.96Å; N493-L496 PolarHBondContact OD1-N 3.23Å; N493-E497 PolarHBondContact N-O 3.34Å; N493-E497 PolarHBondContact ND2-OE2 3.11Å; N493-E497 PolarHBondContact OD1-N 3.47Å; N493-E497 PolarHBondContact OD1-O 3.1Å; N493-I499 HydrophobicContact CB-CD1 3.78Å; N493-I499 HydrophobicContact CB-CG1 4.01Å
494	K	91.3	Very high	90.9	Very high	71 Å²	71	26 Å²	26	31%	0.309	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-7.5	175.4	-73	-64.1	-161.8	159	0	115.1	E387 A388 W484	E387-K494 CarbonylContact C-O 3.59Å; E387-K494 WeakPolarHBondContact CA-O 3.33Å; E387-K494 HydrophobicContact CB-CB 4.49Å; E387-K494 HydrophobicContact CG-CB 4.32Å; E387-K494 HydrophobicContact CG-CD 4.15Å; E387-K494 WeakPolarHBondContact OE1-CE 3.44Å; E387-K494 IonicContact OE1-NZ 2.63Å; E387-K494 PolarHBondContact OE1-NZ 2.96Å; A388-K494 PolarHBondContact N-O 2.86Å; W484-K494 HydrophobicContact CD2-CD 3.73Å; W484-K494 VanDerWaalsContact CD2-NZ 3.34Å; W484-K494 HydrophobicContact CE3-CD 3.72Å; W484-K494 HydrophobicContact CG-CD 4.41Å; W484-K494 HydrophobicContact CH2-CB 4.48Å; W484-K494 HydrophobicContact CH2-CD 3.91Å; W484-K494 VanDerWaalsContact CH2-O 3.32Å; W484-K494 WeakPolarHBondContact CH2-O 3.48Å; W484-K494 HydrophobicContact CZ2-CD 3.87Å; W484-K494 HydrophobicContact CZ3-CD 3.83Å
495	A	90.6	Very high	91.1	Very high	31 Å²	31	25.9 Å²	25.9	26%	0.256	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	7.6	172.4	0	0	0	0	0	113.2	N493 E497	N493-A495 PolarHBondContact O-N 2.94Å; N493-A495 VanDerWaalsContact O-N 3.07Å; N493-A495 VanDerWaalsContact OD1-CA 3.29Å; N493-A495 WeakPolarHBondContact OD1-CA 3.49Å; N493-A495 WeakPolarHBondContact OD1-CB 3.46Å; N493-A495 PolarHBondContact OD1-N 2.95Å; A495-E497 HydrophobicContact CB-CG 4.27Å
496	L	91.2	Very high	91.8	Very high	23 Å²	23	22.3 Å²	22.3	12%	0.12	12%	0.12	C	C	.	.	S	Bend	trans	62.8	35.8	-173.9	-64.1	171.2	0	0	0	113.9	A388 L390 E404 F405 A408 W484 L487 N493	A388-L496 HydrophobicContact CB-CD1 3.78Å; A388-L496 HydrophobicContact CB-CG 3.86Å; L390-L496 HydrophobicContact CD2-CD1 4.08Å; L390-L496 HydrophobicContact CD2-CD2 3.79Å; L390-L496 HydrophobicContact CD2-CG 4.27Å; E404-L496 HydrophobicContact CB-CD1 3.88Å; F405-L496 HydrophobicContact CB-CD1 4.18Å; F405-L496 HydrophobicContact CD2-CD2 4.33Å; A408-L496 HydrophobicContact CB-CB 4.47Å; A408-L496 HydrophobicContact CB-CD2 4.04Å; W484-L496 HydrophobicContact CH2-CD2 4.1Å; W484-L496 HydrophobicContact CH2-CG 4.26Å; W484-L496 HydrophobicContact CZ3-CD2 4.06Å; L487-L496 HydrophobicContact CD1-CD2 3.56Å; L487-L496 HydrophobicContact CD2-CD2 4.18Å; L487-L496 HydrophobicContact CG-CD2 4.5Å; N493-L496 PolarHBondContact O-N 2.96Å; N493-L496 PolarHBondContact OD1-N 3.23Å
497	E	88.2	Confident	92.2	Very high	67 Å²	67	21.8 Å²	21.8	31%	0.313	12%	0.116	S	C	.	.			trans	-110.6	124.2	174.4	-51.8	171.8	139	0	0	109.6	K318 Y492 N493 A495 I499	K318-E497 IonicContact NZ-OE1 3.75Å; Y492-E497 CarbonylContact C-O 3.55Å; Y492-E497 WeakPolarHBondContact CA-O 3.42Å; N493-E497 PolarHBondContact N-O 3.34Å; N493-E497 PolarHBondContact ND2-OE2 3.11Å; N493-E497 PolarHBondContact OD1-N 3.47Å; N493-E497 PolarHBondContact OD1-O 3.1Å; A495-E497 HydrophobicContact CB-CG 4.27Å; E497-I499 HydrophobicContact CB-CG2 4.27Å; E497-I499 PolarHBondContact O-N 3.18Å
498	M	89.9	Confident	92.5	Very high	9 Å²	9	21.7 Å²	21.7	4%	0.044	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-72	113.1	174.1	-173.2	-169	-64.1	0	0	109.6	L312 W322 Y492 A501 P503	L312-M498 HydrophobicContact CD1-CE 4.2Å; W322-M498 HydrophobicContact CE3-CB 4.27Å; W322-M498 HydrophobicContact CE3-CG 4.45Å; W322-M498 HydrophobicContact CE3-SD 4.37Å; W322-M498 HydrophobicContact CH2-CB 4.25Å; W322-M498 HydrophobicContact CH2-SD 4.36Å; W322-M498 HydrophobicContact CZ2-SD 4.48Å; W322-M498 HydrophobicContact CZ3-CB 3.74Å; W322-M498 HydrophobicContact CZ3-CG 4.34Å; W322-M498 WeakPolarHBondContact CZ3-O 3.48Å; W322-M498 HydrophobicContact CZ3-SD 4.32Å; Y492-M498 HydrophobicContact CD1-CB 4.14Å; Y492-M498 HydrophobicContact CE1-CB 3.97Å; Y492-M498 HydrophobicContact CE1-CE 4.45Å; Y492-M498 HydrophobicContact CE2-CB 4.5Å; Y492-M498 HydrophobicContact CE2-CE 3.77Å; Y492-M498 HydrophobicContact CG-CB 4.49Å; Y492-M498 VanDerWaalsContact OH-CE 3.28Å; Y492-M498 WeakPolarHBondContact OH-CE 3.31Å; M498-A501 HydrophobicContact CG-CB 3.81Å; M498-A501 HydrophobicContact SD-CB 3.93Å; M498-P503 HydrophobicContact CE-CG 3.95Å; M498-P503 WeakPolarHBondContact SD-CD 3.48Å; M498-P503 HydrophobicContact SD-CG 3.5Å; M498-P503 VanDerWaalsContact SD-CG 3.5Å
499	I	88.8	Confident	92.7	Very high	44 Å²	44	20.7 Å²	20.7	23%	0.226	11%	0.106	C	C	.	.			trans	-130.2	-23.2	-174.6	58.6	158.3	0	0	0	113.9	G491 N493 E497	G491-I499 PolarHBondContact O-N 3.03Å; N493-I499 HydrophobicContact CB-CD1 3.78Å; N493-I499 HydrophobicContact CB-CG1 4.01Å; E497-I499 HydrophobicContact CB-CG2 4.27Å; E497-I499 PolarHBondContact O-N 3.18Å
500	E	92.1	Very high	93.1	Very high	37 Å²	37	19.4 Å²	19.4	17%	0.173	10%	0.097	C	C	.	.	S	Bend	trans	-107.2	17.8	178.3	-69.4	-172.8	178.4	0	0	112	L282 K379 G491	L282-E500 HydrophobicContact CB-CB 4.29Å; L282-E500 VanDerWaalsContact CB-O 3.27Å; L282-E500 WeakPolarHBondContact CB-O 3.4Å; L282-E500 HydrophobicContact CD2-CG 4.35Å; L282-E500 PolarHBondContact N-O 2.98Å; K379-E500 WeakPolarHBondContact CD-OE1 3.36Å; K379-E500 WeakPolarHBondContact CE-OE2 3.27Å; K379-E500 VanDerWaalsContact CG-OE1 3.29Å; K379-E500 WeakPolarHBondContact CG-OE1 3.35Å; K379-E500 IonicContact NZ-OE2 3.43Å; K379-E500 PolarHBondContact NZ-OE2 2.82Å; G491-E500 PolarHBondContact O-N 2.77Å
501	A	94.1	Very high	93.2	Very high	1 Å²	1	23 Å²	23	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.4	175.1	0	0	0	0	0	112.4	F280 Y281 L490 M498	F280-A501 CarbonylContact O-C 3.55Å; F280-A501 VanDerWaalsContact O-CA 3.26Å; F280-A501 WeakPolarHBondContact O-CA 3.3Å; Y281-A501 HydrophobicContact CD1-CB 3.89Å; Y281-A501 HydrophobicContact CE1-CB 4.24Å; L490-A501 WeakPolarHBondContact O-CB 3.25Å; M498-A501 HydrophobicContact CG-CB 3.81Å; M498-A501 HydrophobicContact SD-CB 3.93Å
502	C	95.6	Very high	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	93.5	174.8	176	0	0	0	0	110.6	F280 W322 V325 L377	F280-C502 HydrophobicContact CB-CB 4.26Å; F280-C502 HydrophobicContact CD2-CB 4.33Å; F280-C502 PolarHBondContact N-O 3.12Å; F280-C502 PolarHBondContact O-N 2.84Å; W322-C502 HydrophobicContact CB-CB 3.87Å; V325-C502 HydrophobicContact CB-CB 4.41Å; V325-C502 HydrophobicContact CG1-CB 4.32Å; V325-C502 HydrophobicContact CG2-CB 4.33Å; L377-C502 HydrophobicContact CD1-CB 4.4Å; L377-C502 HydrophobicContact CD2-CB 4.21Å
503	P	96.1	Very high	93.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	144.4	169.5	-28	38	0	0	0	111.6	G278 C279 P309 L310 L312 T415 M498	G278-P503 CarbonylContact O-C 3.57Å; G278-P503 WeakPolarHBondContact O-CA 3.44Å; C279-P503 VanDerWaalsContact SG-N 3.45Å; P309-P503 CarbonylContact C-O 3.59Å; P309-P503 WeakPolarHBondContact CA-O 3.43Å; L310-P503 HydrophobicContact CB-CB 3.95Å; L310-P503 HydrophobicContact CD2-CB 4.21Å; L310-P503 PolarHBondContact N-O 3.06Å; L312-P503 HydrophobicContact CD1-CB 4.23Å; L312-P503 HydrophobicContact CD1-CG 3.89Å; T415-P503 HydrophobicContact CG2-CB 4.21Å; T415-P503 HydrophobicContact CG2-CG 3.97Å; M498-P503 HydrophobicContact CE-CG 3.95Å; M498-P503 WeakPolarHBondContact SD-CD 3.48Å; M498-P503 HydrophobicContact SD-CG 3.5Å; M498-P503 VanDerWaalsContact SD-CG 3.5Å
504	F	96.8	Very high	93.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.9	180	63.7	-105.5	0	0	0	111.8	K277 G278 C279 F280 Y293 I307 K308 P370 I506	K277-F504 CarbonylContact C-O 3.6Å; K277-F504 WeakPolarHBondContact CA-O 3.36Å; G278-F504 PolarHBondContact N-O 3.27Å; G278-F504 PolarHBondContact O-N 3.01Å; C279-F504 WeakPolarHBondContact O-CE1 3.18Å; F280-F504 HydrophobicContact CD1-CE1 4.23Å; F280-F504 AromaticContact CD2-CD1 3.43Å; F280-F504 HydrophobicContact CD2-CD1 3.43Å; F280-F504 VanDerWaalsContact CD2-CD1 3.43Å; F280-F504 AromaticContact CD2-CE1 3.76Å; F280-F504 HydrophobicContact CD2-CE1 3.76Å; F280-F504 HydrophobicContact CE1-CE1 4.16Å; F280-F504 AromaticContact CE2-CD1 3.35Å; F280-F504 HydrophobicContact CE2-CD1 3.35Å; F280-F504 AromaticContact CE2-CE1 3.67Å; F280-F504 HydrophobicContact CE2-CE1 3.67Å; F280-F504 HydrophobicContact CE2-CG 4.19Å; F280-F504 HydrophobicContact CG-CD1 4.13Å; F280-F504 HydrophobicContact CG-CE1 4.03Å; F280-F504 HydrophobicContact CZ-CD1 4.02Å; F280-F504 AromaticContact CZ-CE1 3.89Å; F280-F504 HydrophobicContact CZ-CE1 3.89Å; Y293-F504 HydrophobicContact CE2-CE2 4.15Å; Y293-F504 HydrophobicContact CE2-CZ 4.3Å; Y293-F504 WeakPolarHBondContact OH-CE2 3.45Å; I307-F504 HydrophobicContact CD1-CD2 3.95Å; I307-F504 HydrophobicContact CD1-CE2 4.32Å; I307-F504 HydrophobicContact CD1-CG 4.27Å; I307-F504 HydrophobicContact CG1-CB 4.45Å; I307-F504 HydrophobicContact CG1-CD2 4.23Å; K308-F504 CarbonylContact O-C 3.54Å; K308-F504 VanDerWaalsContact O-CA 3.23Å; K308-F504 WeakPolarHBondContact O-CA 3.35Å; K308-F504 VanDerWaalsContact O-CB 3.27Å; K308-F504 WeakPolarHBondContact O-CB 3.49Å; P370-F504 HydrophobicContact CB-CE1 4.17Å; P370-F504 HydrophobicContact CB-CE2 4.39Å; P370-F504 HydrophobicContact CB-CZ 3.8Å; P370-F504 HydrophobicContact CG-CE1 4.46Å; P370-F504 HydrophobicContact CG-CE2 4.06Å; P370-F504 HydrophobicContact CG-CZ 3.63Å; F504-I506 HydrophobicContact CD2-CD1 4.43Å; F504-I506 HydrophobicContact CD2-CG1 4.1Å; F504-I506 HydrophobicContact CE2-CD1 3.88Å; F504-I506 HydrophobicContact CE2-CG1 4.06Å
505	V	96.6	Very high	94	Very high	5 Å²	5	30 Å²	30	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.2	172.6	62.8	0	0	0	0	110.7	Q275 K277 I307 K308	Q275-V505 VanDerWaalsContact CD-CG2 3.47Å; Q275-V505 HydrophobicContact CG-CG2 3.46Å; Q275-V505 VanDerWaalsContact CG-CG2 3.46Å; K277-V505 HydrophobicContact CG-CG2 4.49Å; I307-V505 WeakPolarHBondContact CA-O 3.19Å; K308-V505 HydrophobicContact CD-CG1 4.13Å; K308-V505 HydrophobicContact CG-CG1 3.59Å; K308-V505 PolarHBondContact N-O 3.33Å; K308-V505 VanDerWaalsContact N-O 3.13Å; K308-V505 PolarHBondContact O-N 3.39Å
506	I	97.7	Very high	94.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.7	175.4	-59.9	170.9	0	0	0	108.3	Q275 S276 Y293 I305 T306 I307 L329 P370 F504 V508 I517	Q275-I506 CarbonylContact C-O 3.53Å; Q275-I506 VanDerWaalsContact CA-O 3.31Å; Q275-I506 WeakPolarHBondContact CA-O 3.44Å; Q275-I506 WeakPolarHBondContact CG-O 3.34Å; S276-I506 PolarHBondContact N-O 3.01Å; S276-I506 PolarHBondContact O-N 3.35Å; Y293-I506 HydrophobicContact CD2-CD1 3.83Å; Y293-I506 HydrophobicContact CE2-CD1 3.57Å; Y293-I506 HydrophobicContact CG-CD1 4.44Å; I305-I506 HydrophobicContact CG2-CG2 4.42Å; T306-I506 CarbonylContact O-C 3.51Å; T306-I506 VanDerWaalsContact O-CA 3.3Å; T306-I506 WeakPolarHBondContact O-CA 3.5Å; I307-I506 HydrophobicContact CB-CG1 4.39Å; I307-I506 HydrophobicContact CD1-CG1 4.13Å; I307-I506 HydrophobicContact CG1-CG1 4.09Å; L329-I506 HydrophobicContact CD1-CD1 3.77Å; L329-I506 HydrophobicContact CD2-CB 4.47Å; L329-I506 HydrophobicContact CD2-CD1 3.9Å; L329-I506 HydrophobicContact CD2-CG1 4.06Å; L329-I506 HydrophobicContact CD2-CG2 3.59Å; P370-I506 HydrophobicContact CG-CD1 4.41Å; F504-I506 HydrophobicContact CD2-CD1 4.43Å; F504-I506 HydrophobicContact CD2-CG1 4.1Å; F504-I506 HydrophobicContact CE2-CD1 3.88Å; F504-I506 HydrophobicContact CE2-CG1 4.06Å; I506-V508 HydrophobicContact CG2-CG2 4.17Å; I506-I517 HydrophobicContact CB-CD1 4.33Å; I506-I517 HydrophobicContact CG2-CD1 3.92Å
507	D	95.6	Very high	94.7	Very high	8 Å²	8	37 Å²	37	4%	0.043	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.4	170.7	-48.8	-76.4	0	0	0	109.8	Q275 I305 T306 Y509	Q275-D507 PolarHBondContact NE2-OD1 2.72Å; I305-D507 WeakPolarHBondContact CA-O 3.03Å; T306-D507 PolarHBondContact N-O 3.29Å; T306-D507 PolarHBondContact O-N 3.03Å; T306-D507 WeakPolarHBondContact OG1-CB 3.44Å; T306-D507 PolarHBondContact OG1-OD2 3.25Å; D507-Y509 HydrophobicContact CB-CD2 4.33Å; D507-Y509 HydrophobicContact CB-CE2 3.59Å
508	V	96.6	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.6	175.4	-176.8	0	0	0	0	108.9	C273 A274 L295 V303 I305 L368 I506 P515 I517	C273-V508 CarbonylContact C-O 3.55Å; C273-V508 WeakPolarHBondContact CA-O 3.45Å; A274-V508 PolarHBondContact N-O 3.26Å; A274-V508 PolarHBondContact O-N 3.33Å; L295-V508 HydrophobicContact CD1-CG1 3.92Å; L295-V508 HydrophobicContact CD2-CG1 3.91Å; L295-V508 HydrophobicContact CD2-CG2 4.43Å; V303-V508 HydrophobicContact CG1-CG1 3.83Å; I305-V508 HydrophobicContact CG1-CG1 4.32Å; I305-V508 HydrophobicContact CG1-CG2 4.5Å; I305-V508 HydrophobicContact CG2-CG2 4.31Å; L368-V508 HydrophobicContact CD1-CG2 4.36Å; I506-V508 HydrophobicContact CG2-CG2 4.17Å; V508-P515 HydrophobicContact CB-CB 4.37Å; V508-P515 HydrophobicContact CB-CG 4.26Å; V508-P515 HydrophobicContact CG1-CB 3.74Å; V508-P515 HydrophobicContact CG1-CG 3.9Å; V508-P515 VanDerWaalsContact O-CG 3.24Å; V508-P515 WeakPolarHBondContact O-CG 3.48Å; V508-I517 HydrophobicContact CG2-CD1 4.35Å
509	Y	95.4	Very high	95.3	Very high	65 Å²	65	39.1 Å²	39.1	26%	0.255	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130	173.9	-54.9	-92.4	0	0	0	109.9	V268 Q272 C273 V303 C304 D507	V268-Y509 HydrophobicContact CG1-CD1 3.67Å; V268-Y509 HydrophobicContact CG1-CD2 4.06Å; V268-Y509 HydrophobicContact CG1-CE1 4.46Å; V268-Y509 HydrophobicContact CG1-CG 3.44Å; V268-Y509 VanDerWaalsContact CG1-CG 3.44Å; Q272-Y509 WeakPolarHBondContact O-CA 3.47Å; C273-Y509 HydrophobicContact CB-CD1 3.75Å; C273-Y509 HydrophobicContact CB-CE1 3.85Å; C273-Y509 VanDerWaalsContact SG-CE1 3.53Å; V303-Y509 CarbonylContact C-O 3.6Å; V303-Y509 VanDerWaalsContact CA-O 3.25Å; V303-Y509 WeakPolarHBondContact CA-O 3.32Å; V303-Y509 WeakPolarHBondContact CG1-O 3.02Å; C304-Y509 HydrophobicContact CB-CD2 4.44Å; C304-Y509 PolarHBondContact N-O 3.46Å; C304-Y509 PolarHBondContact O-N 2.9Å; D507-Y509 HydrophobicContact CB-CD2 4.33Å; D507-Y509 HydrophobicContact CB-CE2 3.59Å
510	A	95.4	Very high	95.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.3	174.6	0	0	0	0	0	111.1	Q272 L297 T302 V303 K512 C513 P515	Q272-A510 PolarHBondContact N-O 3.1Å; Q272-A510 PolarHBondContact O-N 3.32Å; L297-A510 HydrophobicContact CD2-CB 4.32Å; T302-A510 WeakPolarHBondContact O-CA 3.49Å; V303-A510 HydrophobicContact CG2-CB 4.15Å; A510-K512 PolarHBondContact O-N 3.49Å; A510-C513 VanDerWaalsContact CB-O 3.28Å; A510-C513 WeakPolarHBondContact CB-O 3.39Å; A510-P515 HydrophobicContact CB-CG 4.26Å
511	E	94.4	Very high	95.4	Very high	84 Å²	84	42.6 Å²	42.6	39%	0.393	19%	0.186	S	C	.	.	S	Bend	trans	-59.3	-43.7	-177	-178.3	179	-132.7	0	0	113.3	W271 S301 T302	W271-E511 HydrophobicContact CD2-CB 3.81Å; W271-E511 HydrophobicContact CE3-CB 4.15Å; W271-E511 HydrophobicContact CG-CB 4.31Å; W271-E511 HydrophobicContact CH2-CB 4.1Å; W271-E511 HydrophobicContact CZ2-CB 3.75Å; W271-E511 HydrophobicContact CZ2-CG 3.99Å; W271-E511 HydrophobicContact CZ3-CB 4.29Å; S301-E511 PolarHBondContact OG-N 3.4Å; S301-E511 VanDerWaalsContact OG-N 3.12Å; T302-E511 VanDerWaalsContact CB-OE2 3.3Å; T302-E511 WeakPolarHBondContact CB-OE2 3.23Å; T302-E511 PolarHBondContact O-N 2.87Å; T302-E511 PolarHBondContact OG1-OE2 3.45Å
512	K	93.7	Very high	95	Very high	108 Å²	108	44.1 Å²	44.1	47%	0.47	19%	0.194	S	C	.	.	S	Bend	trans	-105.6	-14.8	-166.9	-61.6	179.6	-175.2	169.5	0	114	Q299 S301 A510	Q299-K512 PolarHBondContact NE2-O 3.23Å; S301-K512 PolarHBondContact OG-N 3.48Å; A510-K512 PolarHBondContact O-N 3.49Å
513	C	94	Very high	94.6	Very high	7 Å²	7	47 Å²	47	5%	0.047	21%	0.207	C	C	.	.	S	Bend	trans	-156.9	160.1	-172.8	64.1	0	0	0	0	113.2	Q299 A510 P515	Q299-C513 HydrophobicContact CG-CB 3.54Å; A510-C513 VanDerWaalsContact CB-O 3.28Å; A510-C513 WeakPolarHBondContact CB-O 3.39Å; C513-P515 VanDerWaalsContact O-CD 3.25Å; C513-P515 WeakPolarHBondContact O-CD 3.37Å
514	K	95.4	Very high	94	Very high	139 Å²	139	49.9 Å²	49.9	60%	0.604	22%	0.224	S	C	*	.			trans	-77.8	113.4	178.1	-168.7	170.5	-178	177.1	0	108.7	Q272	Q272-K514 HydrophobicContact CB-CB 4.45Å; Q272-K514 VanDerWaalsContact OE1-CA 3.31Å
515	P	96.9	Very high	92.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	24%	0.235	C	C	.	.			trans	-67.7	154.7	173.7	25.4	-23.6	0	0	0	109.3	Q272 A274 L295 L297 V508 A510 C513	Q272-P515 WeakPolarHBondContact O-CD 3.38Å; A274-P515 HydrophobicContact CB-CB 4.29Å; A274-P515 HydrophobicContact CB-CG 3.83Å; A274-P515 WeakPolarHBondContact CB-O 3.46Å; L295-P515 HydrophobicContact CD1-CB 3.68Å; L297-P515 HydrophobicContact CD2-CB 3.9Å; V508-P515 HydrophobicContact CB-CB 4.37Å; V508-P515 HydrophobicContact CB-CG 4.26Å; V508-P515 HydrophobicContact CG1-CB 3.74Å; V508-P515 HydrophobicContact CG1-CG 3.9Å; V508-P515 VanDerWaalsContact O-CG 3.24Å; V508-P515 WeakPolarHBondContact O-CG 3.48Å; A510-P515 HydrophobicContact CB-CG 4.26Å; C513-P515 VanDerWaalsContact O-CD 3.25Å; C513-P515 WeakPolarHBondContact O-CD 3.37Å
516	R	97.1	Very high	91.6	Very high	177 Å²	177	51.1 Å²	51.1	67%	0.668	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	111	170.6	-67.7	177	65.5	-169.9	1.1	108.6	L295 H296	L295-R516 CarbonylContact C-O 3.55Å; L295-R516 WeakPolarHBondContact CA-O 3.31Å; H296-R516 HydrophobicContact CB-CB 4.36Å; H296-R516 PolarHBondContact N-O 2.88Å; H296-R516 PolarHBondContact O-N 3.05Å
517	I	97.4	Very high	90.9	Very high	26 Å²	26	58 Å²	58	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.9	173.2	-174.7	168.4	0	0	0	108.8	A274 Q275 Y293 R294 L368 I506 V508	A274-I517 HydrophobicContact CB-CG2 4.01Å; Q275-I517 WeakPolarHBondContact O-CG2 3.48Å; Y293-I517 HydrophobicContact CD1-CD1 4.02Å; Y293-I517 HydrophobicContact CD1-CG1 3.96Å; Y293-I517 HydrophobicContact CG-CD1 4.22Å; Y293-I517 HydrophobicContact CG-CG1 4.29Å; R294-I517 CarbonylContact O-C 3.51Å; R294-I517 WeakPolarHBondContact O-CA 3.2Å; L368-I517 HydrophobicContact CD1-CD1 3.73Å; L368-I517 HydrophobicContact CD1-CG1 4.38Å; I506-I517 HydrophobicContact CB-CD1 4.33Å; I506-I517 HydrophobicContact CG2-CD1 3.92Å; V508-I517 HydrophobicContact CG2-CD1 4.35Å
518	K	95.8	Very high	90.6	Very high	110 Å²	110	59.4 Å²	59.4	48%	0.478	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	134.3	170.2	-176.1	170.5	-177.5	170.3	0	109.7	Y293 R294 E427 I520	Y293-K518 CarbonylContact C-O 3.53Å; Y293-K518 VanDerWaalsContact CA-O 3.27Å; Y293-K518 WeakPolarHBondContact CA-O 3.46Å; R294-K518 PolarHBondContact N-O 3.17Å; R294-K518 PolarHBondContact O-N 3.29Å; E427-K518 IonicContact OE1-NZ 2.97Å; E427-K518 PolarHBondContact OE1-NZ 3.13Å; K518-I520 HydrophobicContact CB-CD1 4.36Å; K518-I520 HydrophobicContact CG-CD1 4.33Å; K518-I520 WeakPolarHBondContact O-CD1 3.45Å
519	A	95.6	Very high	90.3	Very high	9 Å²	9	60 Å²	60	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	137	168.4	0	0	0	0	0	110.3	Y293 L418 F431	Y293-A519 HydrophobicContact CD1-CB 3.85Å; Y293-A519 HydrophobicContact CE1-CB 3.74Å; L418-A519 HydrophobicContact CD1-CB 3.8Å; F431-A519 HydrophobicContact CE2-CB 4.19Å; F431-A519 HydrophobicContact CZ-CB 4.18Å
520	I	93.7	Very high	90.1	Very high	69 Å²	69	60.2 Å²	60.2	35%	0.354	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-49.3	-171.1	-47.2	-60.5	0	0	0	112.3	K292 R294 W367 K518	K292-I520 PolarHBondContact O-N 3.03Å; R294-I520 HydrophobicContact CB-CD1 4.08Å; R294-I520 HydrophobicContact CB-CG1 4.22Å; R294-I520 HydrophobicContact CG-CD1 4.11Å; R294-I520 HydrophobicContact CG-CG1 3.88Å; W367-I520 HydrophobicContact CH2-CG1 4.4Å; W367-I520 HydrophobicContact CH2-CG2 4.34Å; W367-I520 HydrophobicContact CZ3-CB 4.39Å; W367-I520 HydrophobicContact CZ3-CG1 4.22Å; K518-I520 HydrophobicContact CB-CD1 4.36Å; K518-I520 HydrophobicContact CG-CD1 4.33Å; K518-I520 WeakPolarHBondContact O-CD1 3.45Å
521	Y	88.9	Confident	90	Very high	86 Å²	86	64.4 Å²	64.4	34%	0.337	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	161.7	176.7	51.4	-103.8	0	0	0	110.9	H291 K292 W367 E523	H291-Y521 CarbonylContact C-O 3.54Å; H291-Y521 WeakPolarHBondContact CA-O 3.22Å; K292-Y521 HydrophobicContact CB-CD2 4.3Å; K292-Y521 HydrophobicContact CB-CE2 3.94Å; K292-Y521 HydrophobicContact CG-CD2 3.88Å; K292-Y521 HydrophobicContact CG-CE2 3.45Å; K292-Y521 VanDerWaalsContact CG-CE2 3.45Å; K292-Y521 PolarHBondContact N-O 3.44Å; W367-Y521 AromaticContact CH2-CE1 3.79Å; W367-Y521 HydrophobicContact CH2-CE1 3.79Å; W367-Y521 AromaticContact CZ3-CE1 3.84Å; W367-Y521 HydrophobicContact CZ3-CE1 3.84Å; W367-Y521 AromaticContact CZ3-CZ 3.92Å; Y521-E523 HydrophobicContact CD2-CB 3.87Å; Y521-E523 HydrophobicContact CE2-CB 3.89Å
522	L	87.5	Confident	89.9	Confident	33 Å²	33	60.5 Å²	60.5	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	136.3	164.5	-76.8	161.6	0	0	0	108.5	Y281 I289 F431	Y281-L522 HydrophobicContact CD2-CD2 4.29Å; Y281-L522 HydrophobicContact CE2-CD2 4.22Å; I289-L522 HydrophobicContact CG2-CB 3.88Å; I289-L522 HydrophobicContact CG2-CD2 3.81Å; I289-L522 HydrophobicContact CG2-CG 4.41Å; F431-L522 HydrophobicContact CD1-CD1 3.85Å; F431-L522 HydrophobicContact CD1-CG 3.86Å; F431-L522 HydrophobicContact CE1-CG 4.24Å
523	E	86.1	Confident	90	Very high	61 Å²	61	55.6 Å²	55.6	29%	0.285	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	146.9	174.4	-178.2	-157.6	-154.3	0	0	109.2	I289 S290 K292 Y521	I289-E523 WeakPolarHBondContact CA-O 3.47Å; S290-E523 PolarHBondContact N-O 3.21Å; S290-E523 PolarHBondContact O-N 2.73Å; S290-E523 VanDerWaalsContact O-N 3.11Å; K292-E523 VanDerWaalsContact CE-O 3.3Å; K292-E523 WeakPolarHBondContact CE-O 3.39Å; K292-E523 WeakPolarHBondContact CE-OE2 3.24Å; K292-E523 HydrophobicContact CG-CB 4.44Å; K292-E523 PolarHBondContact NZ-O 3.19Å; Y521-E523 HydrophobicContact CD2-CB 3.87Å; Y521-E523 HydrophobicContact CE2-CB 3.89Å
524	T	83.2	Confident	90.1	Very high	59 Å²	59	55.5 Å²	55.5	36%	0.362	26%	0.256	S	S	.	.	S	Bend	trans	-55.1	-178	165.1	46.3	0	0	0	0	111.5	E287 I288 I289 K292 G526	E287-T524 HydrophobicContact CB-CG2 4.21Å; I288-T524 CarbonylContact O-C 3.58Å; I288-T524 WeakPolarHBondContact O-CA 3.07Å; I289-T524 HydrophobicContact CD1-CG2 4.04Å; I289-T524 HydrophobicContact CG1-CG2 3.51Å; K292-T524 PolarHBondContact NZ-O 2.9Å; T524-G526 PolarHBondContact O-N 2.87Å
525	G	68.3	Low	90.1	Very high	21 Å²	21	52.2 Å²	52.2	22%	0.216	24%	0.241	C	C	.	.	S	Bend	trans	-66.1	66.4	180	0	0	0	0	0	114.5	I288 N530	I288-G525 PolarHBondContact O-N 3.23Å; G525-N530 PolarHBondContact O-ND2 2.73Å
526	G	75.7	Confident	90	Very high	10 Å²	10	52.3 Å²	52.3	10%	0.103	24%	0.242	C	C	.	.			trans	-57.2	163.8	-166.3	0	0	0	0	0	115.5	T524 Q528 L529 N530	T524-G526 PolarHBondContact O-N 2.87Å; G526-Q528 PolarHBondContact O-N 2.73Å; G526-L529 PolarHBondContact O-N 2.88Å; G526-N530 PolarHBondContact O-N 2.81Å
527	W	82.4	Confident	90	Very high	146 Å²	146	44 Å²	44	55%	0.553	21%	0.211	S	C	*	.	H	α-helix	trans	-55.1	-31.7	-175.3	74.3	-89.8	0	0	0	113.2	E339 R531	E339-W527 WeakPolarHBondContact O-CH2 3.13Å; W527-R531 WeakPolarHBondContact O-CB 3.35Å; W527-R531 PolarHBondContact O-N 3.05Å
528	Q	88.2	Confident	89.9	Confident	37 Å²	37	44.4 Å²	44.4	17%	0.173	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-42.2	176.1	-63.8	-170.2	-14.5	0	0	112.4	L369 G526 R531 A532	L369-Q528 HydrophobicContact CD1-CB 4.26Å; G526-Q528 PolarHBondContact O-N 2.73Å; Q528-R531 PolarHBondContact O-N 3.49Å; Q528-A532 WeakPolarHBondContact O-CB 3.18Å; Q528-A532 PolarHBondContact O-N 3.43Å
529	L	91.5	Very high	89.8	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-46.9	177.1	176.9	57.3	0	0	0	110.6	Y330 L369 P370 F371 G526 R531 A532 I533	Y330-L529 HydrophobicContact CD2-CD1 3.59Å; Y330-L529 HydrophobicContact CE2-CD1 4.14Å; Y330-L529 HydrophobicContact CG-CD1 4.07Å; L369-L529 HydrophobicContact CB-CD1 4.11Å; L369-L529 HydrophobicContact CD1-CB 4.23Å; P370-L529 WeakPolarHBondContact O-CD2 3.35Å; F371-L529 HydrophobicContact CB-CD1 4.21Å; F371-L529 HydrophobicContact CB-CD2 4.49Å; F371-L529 HydrophobicContact CD2-CD1 4.49Å; F371-L529 HydrophobicContact CD2-CD2 4.32Å; G526-L529 PolarHBondContact O-N 2.88Å; L529-R531 VanDerWaalsContact C-N 3.31Å; L529-R531 PolarHBondContact O-N 2.96Å; L529-A532 WeakPolarHBondContact O-CA 3.25Å; L529-A532 WeakPolarHBondContact O-CB 3.24Å; L529-A532 PolarHBondContact O-N 3.33Å; L529-I533 HydrophobicContact CD1-CD1 4.09Å; L529-I533 HydrophobicContact CD1-CG1 4.25Å; L529-I533 HydrophobicContact CG-CD1 3.93Å; L529-I533 VanDerWaalsContact O-CG1 3.3Å; L529-I533 WeakPolarHBondContact O-CG1 3.18Å; L529-I533 PolarHBondContact O-N 3.47Å
530	N	91.4	Very high	89.7	Confident	71 Å²	71	49 Å²	49	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-56.5	-43.6	173.9	-95.5	-63.6	0	0	0	112.1	G525 G526 A532 I533 C534	G525-N530 PolarHBondContact O-ND2 2.73Å; G526-N530 PolarHBondContact O-N 2.81Å; N530-A532 PolarHBondContact O-N 3.39Å; N530-I533 PolarHBondContact O-N 3.09Å; N530-C534 PolarHBondContact O-N 3.39Å; N530-C534 PolarHBondContact O-SG 2.6Å
531	R	91.9	Very high	89.7	Confident	88 Å²	88	46.6 Å²	46.6	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-35.6	174.4	-172.6	-179.4	-174.3	-159.8	8.1	112.8	N340 W527 Q528 L529 K535	N340-R531 VanDerWaalsContact OD1-CZ 3.3Å; N340-R531 PolarHBondContact OD1-NH1 2.87Å; N340-R531 PolarHBondContact OD1-NH2 3.32Å; W527-R531 WeakPolarHBondContact O-CB 3.35Å; W527-R531 PolarHBondContact O-N 3.05Å; Q528-R531 PolarHBondContact O-N 3.49Å; L529-R531 VanDerWaalsContact C-N 3.31Å; L529-R531 PolarHBondContact O-N 2.96Å; R531-K535 HydrophobicContact CG-CD 4.45Å; R531-K535 WeakPolarHBondContact O-CB 3.37Å; R531-K535 VanDerWaalsContact O-CG 3.31Å; R531-K535 WeakPolarHBondContact O-CG 3.26Å; R531-K535 PolarHBondContact O-N 3.37Å
532	A	94.3	Very high	90	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-42.1	175.3	0	0	0	0	0	111.9	Y330 L332 L343 Q528 L529 N530 K535 S536	Y330-A532 HydrophobicContact CD1-CB 3.75Å; Y330-A532 HydrophobicContact CE1-CB 4.31Å; Y330-A532 HydrophobicContact CG-CB 4.25Å; L332-A532 HydrophobicContact CD1-CB 4.29Å; L332-A532 HydrophobicContact CD2-CB 4.34Å; L343-A532 HydrophobicContact CD1-CB 4.3Å; L343-A532 WeakPolarHBondContact CD2-O 3.45Å; Q528-A532 WeakPolarHBondContact O-CB 3.18Å; Q528-A532 PolarHBondContact O-N 3.43Å; L529-A532 WeakPolarHBondContact O-CA 3.25Å; L529-A532 WeakPolarHBondContact O-CB 3.24Å; L529-A532 PolarHBondContact O-N 3.33Å; N530-A532 PolarHBondContact O-N 3.39Å; A532-K535 PolarHBondContact O-N 3.28Å; A532-S536 WeakPolarHBondContact O-CB 3.5Å; A532-S536 PolarHBondContact O-N 2.92Å; A532-S536 PolarHBondContact O-OG 3.38Å
533	I	95.3	Very high	90.5	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-48.4	174	-63.5	158.1	0	0	0	110.6	Y330 F371 L529 N530 K535 S536 V537 T564 V607	Y330-I533 HydrophobicContact CE1-CG1 4.28Å; Y330-I533 HydrophobicContact CE2-CG1 3.84Å; F371-I533 HydrophobicContact CD2-CD1 3.57Å; F371-I533 HydrophobicContact CD2-CG1 4.31Å; F371-I533 HydrophobicContact CE2-CD1 3.42Å; F371-I533 VanDerWaalsContact CE2-CD1 3.42Å; F371-I533 HydrophobicContact CE2-CG1 4.26Å; F371-I533 HydrophobicContact CG-CD1 4.49Å; F371-I533 HydrophobicContact CZ-CD1 4.26Å; L529-I533 HydrophobicContact CD1-CD1 4.09Å; L529-I533 HydrophobicContact CD1-CG1 4.25Å; L529-I533 HydrophobicContact CG-CD1 3.93Å; L529-I533 VanDerWaalsContact O-CG1 3.3Å; L529-I533 WeakPolarHBondContact O-CG1 3.18Å; L529-I533 PolarHBondContact O-N 3.47Å; N530-I533 PolarHBondContact O-N 3.09Å; I533-K535 VanDerWaalsContact C-N 3.35Å; I533-K535 PolarHBondContact O-N 3.02Å; I533-S536 PolarHBondContact O-N 3.36Å; I533-S536 PolarHBondContact O-OG 2.63Å; I533-V537 HydrophobicContact CG2-CG2 4.39Å; I533-V537 WeakPolarHBondContact O-CB 3.25Å; I533-V537 VanDerWaalsContact O-CG2 3.24Å; I533-V537 WeakPolarHBondContact O-CG2 3.47Å; I533-V537 PolarHBondContact O-N 3.04Å; I533-T564 HydrophobicContact CG2-CG2 4.32Å; I533-V607 HydrophobicContact CB-CG2 4.38Å; I533-V607 HydrophobicContact CG2-CG2 3.77Å
534	C	95.9	Very high	90.9	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-46.4	176.8	-72.9	0	0	0	0	111.6	N530 V537 V538 V566 M605	N530-C534 PolarHBondContact O-N 3.39Å; N530-C534 PolarHBondContact O-SG 2.6Å; C534-V537 PolarHBondContact O-N 2.99Å; C534-V538 WeakPolarHBondContact O-CB 3.16Å; C534-V538 VanDerWaalsContact O-CG2 3.25Å; C534-V538 WeakPolarHBondContact O-CG2 3.47Å; C534-V538 PolarHBondContact O-N 3.43Å; C534-V566 HydrophobicContact CB-CG1 4.21Å; C534-M605 HydrophobicContact CB-CB 3.93Å; C534-M605 HydrophobicContact CB-SD 4.14Å
535	K	94.8	Very high	91.5	Very high	69 Å²	69	47.8 Å²	47.8	30%	0.3	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-40.7	176.8	-75.5	178.1	177.7	-176.9	0	113.2	L343 R531 A532 I533 N539	L343-K535 HydrophobicContact CD2-CB 3.87Å; R531-K535 HydrophobicContact CG-CD 4.45Å; R531-K535 WeakPolarHBondContact O-CB 3.37Å; R531-K535 VanDerWaalsContact O-CG 3.31Å; R531-K535 WeakPolarHBondContact O-CG 3.26Å; R531-K535 PolarHBondContact O-N 3.37Å; A532-K535 PolarHBondContact O-N 3.28Å; I533-K535 VanDerWaalsContact C-N 3.35Å; I533-K535 PolarHBondContact O-N 3.02Å; K535-N539 VanDerWaalsContact O-CB 3.28Å; K535-N539 WeakPolarHBondContact O-CB 3.35Å; K535-N539 PolarHBondContact O-N 3.03Å; K535-N539 PolarHBondContact O-ND2 3.49Å; K535-N539 PolarHBondContact O-OD1 3.29Å
536	S	95	Very high	92.6	Very high	3 Å²	3	47 Å²	47	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-42	179.5	66.7	0	0	0	0	111.7	Y330 F346 A532 I533 N539 K540	Y330-S536 PolarHBondContact OH-OG 2.82Å; F346-S536 VanDerWaalsContact CE1-CB 3.47Å; A532-S536 WeakPolarHBondContact O-CB 3.5Å; A532-S536 PolarHBondContact O-N 2.92Å; A532-S536 PolarHBondContact O-OG 3.38Å; I533-S536 PolarHBondContact O-N 3.36Å; I533-S536 PolarHBondContact O-OG 2.63Å; S536-N539 PolarHBondContact O-N 3.47Å; S536-K540 PolarHBondContact O-N 3.17Å; S536-K540 VanDerWaalsContact O-N 3.11Å
537	V	96.4	Very high	93.1	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-69.1	-41.1	178.2	174.1	0	0	0	0	111.6	I533 C534 N539 G541 T564 V566	I533-V537 HydrophobicContact CG2-CG2 4.39Å; I533-V537 WeakPolarHBondContact O-CB 3.25Å; I533-V537 VanDerWaalsContact O-CG2 3.24Å; I533-V537 WeakPolarHBondContact O-CG2 3.47Å; I533-V537 PolarHBondContact O-N 3.04Å; C534-V537 PolarHBondContact O-N 2.99Å; V537-N539 VanDerWaalsContact C-N 3.34Å; V537-N539 PolarHBondContact O-N 2.96Å; V537-G541 VanDerWaalsContact O-CA 3.24Å; V537-G541 WeakPolarHBondContact O-CA 3.43Å; V537-G541 PolarHBondContact O-N 2.98Å; V537-T564 HydrophobicContact CG2-CG2 3.59Å; V537-V566 HydrophobicContact CB-CB 4.32Å; V537-V566 HydrophobicContact CB-CG2 3.77Å; V537-V566 HydrophobicContact CG1-CB 3.83Å; V537-V566 HydrophobicContact CG1-CG2 3.66Å; V537-V566 HydrophobicContact CG2-CG2 4.01Å
538	V	95.3	Very high	93	Very high	36 Å²	36	48.7 Å²	48.7	22%	0.218	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-38.8	174.8	168.1	0	0	0	0	111.7	C534 Y555 M605	C534-V538 WeakPolarHBondContact O-CB 3.16Å; C534-V538 VanDerWaalsContact O-CG2 3.25Å; C534-V538 WeakPolarHBondContact O-CG2 3.47Å; C534-V538 PolarHBondContact O-N 3.43Å; V538-Y555 HydrophobicContact CB-CD1 4.25Å; V538-Y555 HydrophobicContact CB-CE1 4.29Å; V538-Y555 HydrophobicContact CG1-CD1 4.35Å; V538-Y555 HydrophobicContact CG1-CE1 3.89Å; V538-Y555 HydrophobicContact CG2-CD1 4.09Å; V538-Y555 HydrophobicContact CG2-CD2 3.84Å; V538-Y555 HydrophobicContact CG2-CE1 4.23Å; V538-Y555 HydrophobicContact CG2-CE2 4.01Å; V538-Y555 HydrophobicContact CG2-CG 3.89Å; V538-M605 HydrophobicContact CG2-SD 4.11Å
539	N	94.2	Very high	92.8	Very high	126 Å²	126	48.3 Å²	48.3	67%	0.674	28%	0.278	S	S	*	.	H	α-helix	trans	-76.4	-24.9	-177.8	-71.3	-6.2	0	0	0	114.4	K535 S536 V537	K535-N539 VanDerWaalsContact O-CB 3.28Å; K535-N539 WeakPolarHBondContact O-CB 3.35Å; K535-N539 PolarHBondContact O-N 3.03Å; K535-N539 PolarHBondContact O-ND2 3.49Å; K535-N539 PolarHBondContact O-OD1 3.29Å; S536-N539 PolarHBondContact O-N 3.47Å; V537-N539 VanDerWaalsContact C-N 3.34Å; V537-N539 PolarHBondContact O-N 2.96Å
540	K	93.6	Very high	92.6	Very high	90 Å²	90	55.9 Å²	55.9	39%	0.391	31%	0.313	S	S	.	.	H	α-helix	trans	-122.4	-10.9	-174.2	-62.1	-170.9	-176.8	178.5	0	115.1	F346 E348 S536 Y557	F346-K540 HydrophobicContact CE1-CD 4.13Å; F346-K540 HydrophobicContact CZ-CD 4.08Å; E348-K540 IonicContact OE1-NZ 3.39Å; E348-K540 PolarHBondContact OE1-NZ 3.34Å; E348-K540 IonicContact OE2-NZ 2.74Å; E348-K540 PolarHBondContact OE2-NZ 3.36Å; S536-K540 PolarHBondContact O-N 3.17Å; S536-K540 VanDerWaalsContact O-N 3.11Å; K540-Y557 HydrophobicContact CB-CD2 3.64Å; K540-Y557 HydrophobicContact CB-CE2 3.54Å; K540-Y557 HydrophobicContact CB-CG 4.42Å; K540-Y557 HydrophobicContact CD-CE2 4.18Å; K540-Y557 WeakPolarHBondContact O-CD2 3.49Å
541	G	93.7	Very high	92.6	Very high	18 Å²	18	56.7 Å²	56.7	19%	0.186	32%	0.317	C	S	.	.	S	Bend	trans	-89.7	162	-175.3	0	0	0	0	0	114.3	V537 A543 T556	V537-G541 VanDerWaalsContact O-CA 3.24Å; V537-G541 WeakPolarHBondContact O-CA 3.43Å; V537-G541 PolarHBondContact O-N 2.98Å; G541-A543 PolarHBondContact O-N 2.98Å; G541-T556 CarbonylContact C-O 3.6Å; G541-T556 WeakPolarHBondContact CA-O 3.44Å
542	E	96	Very high	92.8	Very high	90 Å²	90	52.8 Å²	52.8	42%	0.421	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.5	170.6	-172.3	-175.2	157.3	0	0	109.3	F250 K544 Y555 T556	F250-E542 WeakPolarHBondContact CE1-OE2 3.36Å; F250-E542 WeakPolarHBondContact CZ-OE2 3.49Å; E542-K544 WeakPolarHBondContact OE1-CE 3.48Å; E542-K544 IonicContact OE1-NZ 3.65Å; E542-Y555 CarbonylContact O-C 3.6Å; E542-Y555 WeakPolarHBondContact O-CA 3.34Å; E542-T556 PolarHBondContact N-O 3.38Å; E542-T556 PolarHBondContact O-N 3.34Å
543	A	96.6	Very high	92.9	Very high	60 Å²	60	53.4 Å²	53.4	50%	0.496	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.2	179.7	0	0	0	0	0	111.2	G541 I553 Y555	G541-A543 PolarHBondContact O-N 2.98Å; A543-I553 HydrophobicContact CB-CG2 4.29Å; A543-Y555 HydrophobicContact CB-CD1 3.72Å; A543-Y555 HydrophobicContact CB-CE1 3.46Å; A543-Y555 VanDerWaalsContact CB-CE1 3.46Å
544	K	95.8	Very high	93	Very high	42 Å²	42	53.2 Å²	53.2	18%	0.183	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	114.3	-177.5	-80.6	-170.4	-175.6	174.4	0	111.3	I246 S247 S248 E542 I553 V554	I246-K544 HydrophobicContact CD1-CB 3.64Å; I246-K544 HydrophobicContact CD1-CD 4.24Å; I246-K544 HydrophobicContact CD1-CG 4.31Å; I246-K544 HydrophobicContact CG1-CB 4.16Å; I246-K544 HydrophobicContact CG1-CD 4.13Å; S247-K544 PolarHBondContact O-NZ 3.48Å; S248-K544 PolarHBondContact OG-NZ 3.26Å; E542-K544 WeakPolarHBondContact OE1-CE 3.48Å; E542-K544 IonicContact OE1-NZ 3.65Å; K544-I553 WeakPolarHBondContact O-CA 3.1Å; K544-V554 PolarHBondContact N-O 3.28Å; K544-V554 PolarHBondContact O-N 2.95Å
545	V	94.7	Very high	93.1	Very high	72 Å²	72	54.3 Å²	54.3	44%	0.436	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.2	178.4	-176.7	0	0	0	0	109.5	I246 E550 I553	I246-V545 WeakPolarHBondContact CD1-O 3.38Å; V545-E550 HydrophobicContact CG1-CB 4.45Å; V545-I553 HydrophobicContact CG2-CD1 4.33Å; V545-I553 HydrophobicContact CG2-CG1 4.25Å
546	M	91.2	Very high	93.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.6	-175.5	-173.9	169.7	-76.4	0	0	112.5	A244 I246 G548 C549 I552 V554 I577 H626 L628	A244-M546 HydrophobicContact CB-CG 4.16Å; A244-M546 HydrophobicContact CB-SD 4.23Å; I246-M546 HydrophobicContact CG2-CE 4.13Å; M546-G548 PolarHBondContact O-N 3.17Å; M546-C549 HydrophobicContact CB-CB 4.23Å; M546-C549 HydrophobicContact CG-CB 4.29Å; M546-C549 CarbonylContact O-C 3.49Å; M546-C549 PolarHBondContact O-N 3.43Å; M546-I552 HydrophobicContact CB-CB 4.12Å; M546-I552 HydrophobicContact CB-CG2 4.3Å; M546-I552 HydrophobicContact CE-CG2 4.07Å; M546-I552 PolarHBondContact N-O 3.45Å; M546-I552 HydrophobicContact SD-CB 4.47Å; M546-I552 HydrophobicContact SD-CG2 4.19Å; M546-V554 HydrophobicContact CE-CG2 4.48Å; M546-I577 HydrophobicContact CE-CD1 4.16Å; M546-I577 HydrophobicContact CE-CG2 4.18Å; M546-I577 HydrophobicContact SD-CD1 4.39Å; M546-H626 HydrophobicContact CE-CB 3.94Å; M546-L628 HydrophobicContact SD-CB 3.96Å
547	D	86.4	Confident	93.3	Very high	110 Å²	110	52.6 Å²	52.6	59%	0.588	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	119.8	-175.6	-69.9	-20.7	0	0	0	111.9	A244 S245 C549	A244-D547 VanDerWaalsContact CA-O 3.25Å; A244-D547 WeakPolarHBondContact CA-O 3.27Å; A244-D547 WeakPolarHBondContact CB-O 3.43Å; S245-D547 WeakPolarHBondContact O-CB 3.14Å; S245-D547 PolarHBondContact O-N 3.48Å; D547-C549 VanDerWaalsContact C-N 3.26Å; D547-C549 PolarHBondContact O-N 3.07Å
548	G	80.3	Confident	93.1	Very high	82 Å²	82	57.5 Å²	57.5	85%	0.845	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	12.1	-177.8	0	0	0	0	0	115.2	M546	M546-G548 PolarHBondContact O-N 3.17Å
549	C	84.6	Confident	92.7	Very high	30 Å²	30	57 Å²	57	20%	0.203	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	70.5	178.9	-80.6	0	0	0	0	111.3	A244 M546 D547 N551 I552 L628	A244-C549 HydrophobicContact CB-CB 4.14Å; A244-C549 VanDerWaalsContact CB-SG 3.57Å; M546-C549 HydrophobicContact CB-CB 4.23Å; M546-C549 HydrophobicContact CG-CB 4.29Å; M546-C549 CarbonylContact O-C 3.49Å; M546-C549 PolarHBondContact O-N 3.43Å; D547-C549 VanDerWaalsContact C-N 3.26Å; D547-C549 PolarHBondContact O-N 3.07Å; C549-N551 PolarHBondContact O-N 2.91Å; C549-I552 HydrophobicContact CB-CG1 4.47Å; C549-I552 PolarHBondContact O-N 3.2Å; C549-L628 VanDerWaalsContact SG-CD2 3.59Å
550	E	87.6	Confident	92	Very high	169 Å²	169	55 Å²	55	79%	0.79	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.3	-25.3	-174.9	-64.3	179.8	-175.6	0	0	115.3	V545 I552	V545-E550 HydrophobicContact CG1-CB 4.45Å; E550-I552 VanDerWaalsContact C-N 3.29Å; E550-I552 PolarHBondContact O-N 3.04Å
551	N	92.1	Very high	91.5	Very high	89 Å²	89	51 Å²	51	48%	0.476	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-12.2	178.4	-69.6	-53.6	0	0	0	114.1	C549 K570	C549-N551 PolarHBondContact O-N 2.91Å; N551-K570 HydrophobicContact CB-CB 4.32Å; N551-K570 WeakPolarHBondContact O-CB 3.4Å; N551-K570 PolarHBondContact O-N 3.21Å
552	I	95.3	Very high	91.4	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.9	-178.7	-53.9	-52.1	0	0	0	109.3	M546 C549 E550 I567 N569 V575 I577	M546-I552 HydrophobicContact CB-CB 4.12Å; M546-I552 HydrophobicContact CB-CG2 4.3Å; M546-I552 HydrophobicContact CE-CG2 4.07Å; M546-I552 PolarHBondContact N-O 3.45Å; M546-I552 HydrophobicContact SD-CB 4.47Å; M546-I552 HydrophobicContact SD-CG2 4.19Å; C549-I552 HydrophobicContact CB-CG1 4.47Å; C549-I552 PolarHBondContact O-N 3.2Å; E550-I552 VanDerWaalsContact C-N 3.29Å; E550-I552 PolarHBondContact O-N 3.04Å; I552-I567 HydrophobicContact CG2-CG2 3.98Å; I552-N569 HydrophobicContact CD1-CB 3.93Å; I552-N569 VanDerWaalsContact CD1-OD1 3.28Å; I552-N569 WeakPolarHBondContact CD1-OD1 3.42Å; I552-V575 HydrophobicContact CD1-CB 4.45Å; I552-V575 HydrophobicContact CD1-CG1 4Å; I552-V575 HydrophobicContact CD1-CG2 3.8Å; I552-I577 HydrophobicContact CG2-CD1 4.17Å
553	I	96.9	Very high	91.4	Very high	15 Å²	15	46.3 Å²	46.3	8%	0.077	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.2	-179.7	-47.5	-174	0	0	0	109.3	A543 K544 V545 Y555 I567 E568 K570	A543-I553 HydrophobicContact CB-CG2 4.29Å; K544-I553 WeakPolarHBondContact O-CA 3.1Å; V545-I553 HydrophobicContact CG2-CD1 4.33Å; V545-I553 HydrophobicContact CG2-CG1 4.25Å; I553-Y555 HydrophobicContact CB-CD2 4.42Å; I553-Y555 HydrophobicContact CB-CE2 3.8Å; I553-Y555 HydrophobicContact CG2-CD2 4Å; I553-Y555 HydrophobicContact CG2-CE2 3.48Å; I553-Y555 VanDerWaalsContact CG2-CE2 3.48Å; I553-I567 WeakPolarHBondContact O-CA 3.41Å; I553-E568 HydrophobicContact CB-CB 4.48Å; I553-E568 PolarHBondContact N-O 3.28Å; I553-E568 PolarHBondContact O-N 3.28Å; I553-K570 HydrophobicContact CD1-CD 4.28Å; I553-K570 VanDerWaalsContact CD1-NZ 3.28Å
554	V	97.3	Very high	91.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.9	171.9	-174.8	0	0	0	0	108.2	I246 K544 M546 I567 H626	I246-V554 HydrophobicContact CG2-CB 4.37Å; I246-V554 HydrophobicContact CG2-CG2 3.77Å; K544-V554 PolarHBondContact N-O 3.28Å; K544-V554 PolarHBondContact O-N 2.95Å; M546-V554 HydrophobicContact CE-CG2 4.48Å; V554-I567 HydrophobicContact CG2-CG1 4.4Å; V554-H626 HydrophobicContact CG2-CB 4.14Å
555	Y	98	Very high	91.5	Very high	28 Å²	28	41.8 Å²	41.8	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.4	171.4	-67.2	-95.5	0	0	0	108.6	V538 E542 A543 I553 S565 V566 E568	V538-Y555 HydrophobicContact CB-CD1 4.25Å; V538-Y555 HydrophobicContact CB-CE1 4.29Å; V538-Y555 HydrophobicContact CG1-CD1 4.35Å; V538-Y555 HydrophobicContact CG1-CE1 3.89Å; V538-Y555 HydrophobicContact CG2-CD1 4.09Å; V538-Y555 HydrophobicContact CG2-CD2 3.84Å; V538-Y555 HydrophobicContact CG2-CE1 4.23Å; V538-Y555 HydrophobicContact CG2-CE2 4.01Å; V538-Y555 HydrophobicContact CG2-CG 3.89Å; E542-Y555 CarbonylContact O-C 3.6Å; E542-Y555 WeakPolarHBondContact O-CA 3.34Å; A543-Y555 HydrophobicContact CB-CD1 3.72Å; A543-Y555 HydrophobicContact CB-CE1 3.46Å; A543-Y555 VanDerWaalsContact CB-CE1 3.46Å; I553-Y555 HydrophobicContact CB-CD2 4.42Å; I553-Y555 HydrophobicContact CB-CE2 3.8Å; I553-Y555 HydrophobicContact CG2-CD2 4Å; I553-Y555 HydrophobicContact CG2-CE2 3.48Å; I553-Y555 VanDerWaalsContact CG2-CE2 3.48Å; Y555-S565 CarbonylContact O-C 3.45Å; Y555-S565 VanDerWaalsContact O-CA 3.27Å; Y555-S565 WeakPolarHBondContact O-CA 3.45Å; Y555-V566 PolarHBondContact N-O 3.14Å; Y555-V566 PolarHBondContact O-N 2.91Å; Y555-E568 HydrophobicContact CD2-CB 4.33Å; Y555-E568 HydrophobicContact CE2-CB 3.87Å; Y555-E568 WeakPolarHBondContact CE2-OE2 3.39Å; Y555-E568 PolarHBondContact OH-OE2 3.03Å
556	T	97.2	Very high	91.6	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.9	173.6	-52.6	0	0	0	0	110.8	F250 G541 E542 I563 S565	F250-T556 HydrophobicContact CE2-CG2 3.68Å; F250-T556 HydrophobicContact CZ-CG2 4.43Å; G541-T556 CarbonylContact C-O 3.6Å; G541-T556 WeakPolarHBondContact CA-O 3.44Å; E542-T556 PolarHBondContact N-O 3.38Å; E542-T556 PolarHBondContact O-N 3.34Å; T556-I563 HydrophobicContact CG2-CG2 3.49Å; T556-I563 VanDerWaalsContact CG2-CG2 3.49Å; T556-S565 WeakPolarHBondContact CG2-OG 3.31Å; T556-S565 PolarHBondContact OG1-OG 2.91Å
557	Y	95.5	Very high	91.9	Very high	32 Å²	32	38.2 Å²	38.2	13%	0.125	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.2	172.7	178.8	-124.3	0	0	0	109.8	F346 E348 K540 T559 I563 T564	F346-Y557 HydrophobicContact CE2-CE1 4.18Å; F346-Y557 AromaticContact CZ-CE1 3.91Å; F346-Y557 HydrophobicContact CZ-CE1 3.91Å; E348-Y557 PolarHBondContact OE2-OH 2.8Å; K540-Y557 HydrophobicContact CB-CD2 3.64Å; K540-Y557 HydrophobicContact CB-CE2 3.54Å; K540-Y557 HydrophobicContact CB-CG 4.42Å; K540-Y557 HydrophobicContact CD-CE2 4.18Å; K540-Y557 WeakPolarHBondContact O-CD2 3.49Å; Y557-T559 HydrophobicContact CE1-CG2 3.73Å; Y557-I563 CarbonylContact O-C 3.57Å; Y557-I563 WeakPolarHBondContact O-CA 3.4Å; Y557-T564 PolarHBondContact N-O 3.33Å; Y557-T564 PolarHBondContact O-N 3.07Å
558	K	92.1	Very high	92.4	Very high	105 Å²	105	34.4 Å²	34.4	46%	0.457	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.5	-179.9	69.4	-174.9	-178.4	-172.4	0	111	F250 I563	F250-K558 HydrophobicContact CD1-CD 4.05Å; F250-K558 HydrophobicContact CE1-CD 4.24Å; F250-K558 HydrophobicContact CG-CD 4.22Å; K558-I563 HydrophobicContact CB-CG1 3.84Å
559	T	87.8	Confident	93.2	Very high	26 Å²	26	30.5 Å²	30.5	16%	0.16	15%	0.15	C	C	.	.			trans	-123.7	171.1	164.1	72.2	0	0	0	0	108.5	M252 Y557 I561 R562	M252-T559 WeakPolarHBondContact CE-O 3.35Å; Y557-T559 HydrophobicContact CE1-CG2 3.73Å; T559-I561 PolarHBondContact O-N 3.05Å; T559-R562 PolarHBondContact N-O 2.9Å; T559-R562 PolarHBondContact O-N 2.93Å; T559-R562 PolarHBondContact OG1-N 3.16Å; T559-R562 PolarHBondContact OG1-O 2.93Å
560	D	80.1	Confident	93.7	Very high	84 Å²	84	32.7 Å²	32.7	45%	0.449	16%	0.156	S	C	.	.	S	Bend	trans	-55.3	-22.5	-178.5	-81.3	12.2	0	0	0	114.1	R258	R258-D560 WeakPolarHBondContact CD-OD2 3.35Å; R258-D560 IonicContact CZ-OD2 2.74Å; R258-D560 IonicContact NH1-OD1 2.65Å; R258-D560 IonicContact NH1-OD2 3.24Å; R258-D560 PolarHBondContact NH1-OD2 2.99Å
561	I	82.9	Confident	93.9	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	13%	0.125	C	C	.	.	S	Bend	trans	-117.8	-14.7	-176.8	60.2	139.6	0	0	0	116.1	D326 Q350 F355 T559 M612 P613	D326-I561 HydrophobicContact CB-CD1 4.46Å; Q350-I561 VanDerWaalsContact OE1-CG1 3.23Å; F355-I561 HydrophobicContact CE1-CD1 3.54Å; F355-I561 HydrophobicContact CE1-CG1 4.48Å; F355-I561 HydrophobicContact CZ-CD1 3.56Å; T559-I561 PolarHBondContact O-N 3.05Å; I561-M612 HydrophobicContact CD1-CE 4.21Å; I561-P613 WeakPolarHBondContact O-CD 3.21Å
562	R	91.5	Very high	94	Very high	9 Å²	9	27.7 Å²	27.7	3%	0.034	13%	0.132	C	C	.	.			trans	-150	148.4	-179.1	69.6	178.7	-177.4	-150.8	-3.1	113.1	D326 T559 V611 M612	D326-R562 IonicContact OD2-CZ 2.73Å; D326-R562 IonicContact OD2-NH1 3.47Å; D326-R562 PolarHBondContact OD2-NH1 3.4Å; T559-R562 PolarHBondContact N-O 2.9Å; T559-R562 PolarHBondContact O-N 2.93Å; T559-R562 PolarHBondContact OG1-N 3.16Å; T559-R562 PolarHBondContact OG1-O 2.93Å; R562-V611 CarbonylContact C-O 3.54Å; R562-V611 VanDerWaalsContact CA-O 3.3Å; R562-V611 WeakPolarHBondContact CA-O 3.48Å; R562-M612 HydrophobicContact CB-CG 4.03Å
563	I	95.2	Very high	93.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.4	170.1	-68.5	168.9	0	0	0	107.6	F250 M252 T556 Y557 K558 H610 V611 W620 Y622	F250-I563 HydrophobicContact CB-CD1 4.36Å; F250-I563 HydrophobicContact CD2-CD1 4.09Å; M252-I563 HydrophobicContact CG-CD1 4.31Å; T556-I563 HydrophobicContact CG2-CG2 3.49Å; T556-I563 VanDerWaalsContact CG2-CG2 3.49Å; Y557-I563 CarbonylContact O-C 3.57Å; Y557-I563 WeakPolarHBondContact O-CA 3.4Å; K558-I563 HydrophobicContact CB-CG1 3.84Å; I563-H610 CarbonylContact O-C 3.59Å; I563-H610 WeakPolarHBondContact O-CA 3.44Å; I563-V611 PolarHBondContact N-O 2.93Å; I563-V611 PolarHBondContact O-N 2.84Å; I563-W620 HydrophobicContact CB-CH2 4.35Å; I563-W620 HydrophobicContact CD1-CH2 3.73Å; I563-W620 HydrophobicContact CD1-CZ3 3.7Å; I563-W620 HydrophobicContact CG1-CH2 3.78Å; I563-W620 HydrophobicContact CG1-CZ3 4.2Å; I563-Y622 VanDerWaalsContact CD1-CB 3.45Å; I563-Y622 HydrophobicContact CD1-CD1 4.03Å; I563-Y622 HydrophobicContact CD1-CD2 4.01Å; I563-Y622 HydrophobicContact CD1-CG 3.58Å; I563-Y622 HydrophobicContact CG2-CD1 4.38Å; I563-Y622 HydrophobicContact CG2-CD2 4.27Å; I563-Y622 HydrophobicContact CG2-CE1 4.07Å; I563-Y622 HydrophobicContact CG2-CE2 3.97Å; I563-Y622 HydrophobicContact CG2-CG 4.45Å
564	T	96.9	Very high	93.3	Very high	7 Å²	7	38 Å²	38	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.3	172.6	-61.5	0	0	0	0	109.1	I533 V537 Y557 V566 V607 H610	I533-T564 HydrophobicContact CG2-CG2 4.32Å; V537-T564 HydrophobicContact CG2-CG2 3.59Å; Y557-T564 PolarHBondContact N-O 3.33Å; Y557-T564 PolarHBondContact O-N 3.07Å; T564-V566 HydrophobicContact CG2-CG2 4.5Å; T564-V607 HydrophobicContact CG2-CG1 4.33Å; T564-H610 VanDerWaalsContact CG2-CE1 3.45Å; T564-H610 WeakPolarHBondContact CG2-CE1 3.31Å; T564-H610 VanDerWaalsContact CG2-ND1 3.27Å; T564-H610 WeakPolarHBondContact CG2-ND1 3.32Å; T564-H610 PolarHBondContact OG1-ND1 3.17Å
565	S	97.2	Very high	92.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.9	174.4	-65.8	0	0	0	0	110.9	Y555 T556 S608 Q609 Y622	Y555-S565 CarbonylContact O-C 3.45Å; Y555-S565 VanDerWaalsContact O-CA 3.27Å; Y555-S565 WeakPolarHBondContact O-CA 3.45Å; T556-S565 WeakPolarHBondContact CG2-OG 3.31Å; T556-S565 PolarHBondContact OG1-OG 2.91Å; S565-S608 VanDerWaalsContact O-CB 3.32Å; S565-S608 WeakPolarHBondContact O-CB 3.47Å; S565-S608 PolarHBondContact O-N 2.91Å; S565-Q609 PolarHBondContact N-O 2.95Å; S565-Q609 PolarHBondContact O-N 3.26Å; S565-Y622 PolarHBondContact OG-OH 3.09Å
566	V	98.1	Very high	92.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.8	177	168.2	0	0	0	0	108.2	C534 V537 Y555 T564 M605 T606 V607	C534-V566 HydrophobicContact CB-CG1 4.21Å; V537-V566 HydrophobicContact CB-CB 4.32Å; V537-V566 HydrophobicContact CB-CG2 3.77Å; V537-V566 HydrophobicContact CG1-CB 3.83Å; V537-V566 HydrophobicContact CG1-CG2 3.66Å; V537-V566 HydrophobicContact CG2-CG2 4.01Å; Y555-V566 PolarHBondContact N-O 3.14Å; Y555-V566 PolarHBondContact O-N 2.91Å; T564-V566 HydrophobicContact CG2-CG2 4.5Å; V566-M605 HydrophobicContact CG1-CB 4.13Å; V566-T606 WeakPolarHBondContact CA-O 3.47Å; V566-V607 HydrophobicContact CG2-CG2 4.21Å
567	I	97.3	Very high	91.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124	175.6	-58.2	156.8	0	0	0	107.6	I552 I553 V554 I577 V598 V600 M605 T606	I552-I567 HydrophobicContact CG2-CG2 3.98Å; I553-I567 WeakPolarHBondContact O-CA 3.41Å; V554-I567 HydrophobicContact CG2-CG1 4.4Å; I567-I577 HydrophobicContact CD1-CB 3.93Å; I567-I577 HydrophobicContact CD1-CG1 4.12Å; I567-I577 HydrophobicContact CD1-CG2 4.02Å; I567-I577 HydrophobicContact CG2-CG1 4.2Å; I567-V598 HydrophobicContact CD1-CB 4.12Å; I567-V598 HydrophobicContact CD1-CG1 4.14Å; I567-V600 HydrophobicContact CB-CG2 4.05Å; I567-V600 HydrophobicContact CD1-CG2 4.35Å; I567-V600 HydrophobicContact CG2-CG2 3.87Å; I567-M605 CarbonylContact O-C 3.47Å; I567-M605 VanDerWaalsContact O-CA 3.31Å; I567-M605 WeakPolarHBondContact O-CA 3.48Å; I567-T606 PolarHBondContact N-O 3.41Å; I567-T606 PolarHBondContact O-N 2.93Å
568	E	97.5	Very high	91.3	Very high	29 Å²	29	41.8 Å²	41.8	14%	0.136	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.4	169.4	-174.6	-177.9	-157	0	0	109.5	I553 Y555 K570 M605	I553-E568 HydrophobicContact CB-CB 4.48Å; I553-E568 PolarHBondContact N-O 3.28Å; I553-E568 PolarHBondContact O-N 3.28Å; Y555-E568 HydrophobicContact CD2-CB 4.33Å; Y555-E568 HydrophobicContact CE2-CB 3.87Å; Y555-E568 WeakPolarHBondContact CE2-OE2 3.39Å; Y555-E568 PolarHBondContact OH-OE2 3.03Å; E568-K570 HydrophobicContact CG-CG 4.18Å; E568-K570 WeakPolarHBondContact OE1-CE 3.16Å; E568-K570 IonicContact OE1-NZ 3.77Å; E568-K570 WeakPolarHBondContact OE2-CE 3.08Å; E568-K570 IonicContact OE2-NZ 3.04Å; E568-K570 PolarHBondContact OE2-NZ 3.04Å; E568-M605 HydrophobicContact CB-CG 4.13Å; E568-M605 HydrophobicContact CG-CE 4.38Å; E568-M605 HydrophobicContact CG-CG 3.95Å
569	N	95.6	Very high	91	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	107.4	173.5	176.3	15.7	0	0	0	110.1	I552 S571 N573 V575 V600 A601 K603 S604	I552-N569 HydrophobicContact CD1-CB 3.93Å; I552-N569 VanDerWaalsContact CD1-OD1 3.28Å; I552-N569 WeakPolarHBondContact CD1-OD1 3.42Å; N569-S571 WeakPolarHBondContact OD1-CB 3.3Å; N569-S571 PolarHBondContact OD1-N 2.82Å; N569-S571 PolarHBondContact OD1-OG 2.81Å; N569-N573 PolarHBondContact ND2-O 2.98Å; N569-V575 HydrophobicContact CB-CG2 4.26Å; N569-V600 HydrophobicContact CB-CB 4.17Å; N569-V600 HydrophobicContact CB-CG1 3.56Å; N569-V600 PolarHBondContact ND2-O 3.34Å; N569-A601 WeakPolarHBondContact CB-O 3.49Å; N569-A601 PolarHBondContact ND2-O 3.27Å; N569-K603 CarbonylContact O-C 3.5Å; N569-K603 WeakPolarHBondContact O-CA 3.36Å; N569-K603 PolarHBondContact O-N 2.87Å; N569-S604 PolarHBondContact N-O 3.11Å; N569-S604 PolarHBondContact O-N 2.87Å
570	K	95.9	Very high	91	Very high	77 Å²	77	37.4 Å²	37.4	34%	0.335	19%	0.185	S	C	.	.			trans	-87.8	-3.4	177.7	-59.4	-173	178.8	176.7	0	113.6	N551 I553 E568 K603	N551-K570 HydrophobicContact CB-CB 4.32Å; N551-K570 WeakPolarHBondContact O-CB 3.4Å; N551-K570 PolarHBondContact O-N 3.21Å; I553-K570 HydrophobicContact CD1-CD 4.28Å; I553-K570 VanDerWaalsContact CD1-NZ 3.28Å; E568-K570 HydrophobicContact CG-CG 4.18Å; E568-K570 WeakPolarHBondContact OE1-CE 3.16Å; E568-K570 IonicContact OE1-NZ 3.77Å; E568-K570 WeakPolarHBondContact OE2-CE 3.08Å; E568-K570 IonicContact OE2-NZ 3.04Å; E568-K570 PolarHBondContact OE2-NZ 3.04Å; K570-K603 WeakPolarHBondContact O-CD 3.41Å; K570-K603 WeakPolarHBondContact O-CE 3.15Å; K570-K603 PolarHBondContact O-NZ 2.89Å
571	S	92.5	Very high	91.2	Very high	20 Å²	20	34 Å²	34	14%	0.14	17%	0.166	C	C	.	.	S	Bend	trans	-81.3	165.6	179.5	80.4	0	0	0	0	112.4	N569 N573 K603	N569-S571 WeakPolarHBondContact OD1-CB 3.3Å; N569-S571 PolarHBondContact OD1-N 2.82Å; N569-S571 PolarHBondContact OD1-OG 2.81Å; S571-N573 PolarHBondContact OG-N 3.5Å; S571-N573 PolarHBondContact OG-O 3.06Å; S571-K603 PolarHBondContact O-N 2.67Å
572	E	92.8	Very high	91.4	Very high	133 Å²	133	39.7 Å²	39.7	62%	0.621	19%	0.193	S	C	*	.	S	Bend	trans	-78.1	-8.3	171.7	-49.3	-52.9	153.3	0	0	113	P602 K603	E572-P602 WeakPolarHBondContact O-CB 3.47Å; E572-P602 VanDerWaalsContact O-CG 3.24Å; E572-P602 WeakPolarHBondContact O-CG 3.42Å; E572-K603 WeakPolarHBondContact OE1-CE 3.33Å; E572-K603 IonicContact OE1-NZ 3.7Å; E572-K603 PolarHBondContact OE1-NZ 2.93Å; E572-K603 WeakPolarHBondContact OE2-CE 3.44Å; E572-K603 IonicContact OE2-NZ 2.9Å
573	N	87.9	Confident	91.3	Very high	119 Å²	119	45.2 Å²	45.2	64%	0.636	22%	0.219	S	C	*	.	S	Bend	trans	-106.5	148.1	-174.7	-70.5	-46.4	0	0	0	111	N569 S571	N569-N573 PolarHBondContact ND2-O 2.98Å; S571-N573 PolarHBondContact OG-N 3.5Å; S571-N573 PolarHBondContact OG-O 3.06Å
574	K	89.9	Confident	91.1	Very high	117 Å²	117	46.3 Å²	46.3	51%	0.509	23%	0.227	S	C	.	.			trans	-67	137.9	168.3	-167.6	173.8	87.2	162.4	0	109.3	E599	K574-E599 VanDerWaalsContact CD-CD 3.46Å; K574-E599 HydrophobicContact CD-CG 3.75Å; K574-E599 VanDerWaalsContact CD-OE1 3.28Å; K574-E599 WeakPolarHBondContact CD-OE1 3.43Å; K574-E599 WeakPolarHBondContact CE-OE1 3.16Å; K574-E599 WeakPolarHBondContact CE-OE2 3.24Å; K574-E599 HydrophobicContact CG-CG 3.92Å; K574-E599 IonicContact NZ-OE1 2.66Å; K574-E599 PolarHBondContact NZ-OE1 2.71Å; K574-E599 IonicContact NZ-OE2 3.99Å; K574-E599 PolarHBondContact NZ-OE2 2.68Å
575	V	85.4	Confident	91	Very high	18 Å²	18	53 Å²	53	11%	0.109	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.1	175.4	-61	0	0	0	0	111.6	I552 N569 I577 V600 L628	I552-V575 HydrophobicContact CD1-CB 4.45Å; I552-V575 HydrophobicContact CD1-CG1 4Å; I552-V575 HydrophobicContact CD1-CG2 3.8Å; N569-V575 HydrophobicContact CB-CG2 4.26Å; V575-I577 HydrophobicContact CB-CD1 4.38Å; V575-I577 HydrophobicContact CG2-CD1 4.1Å; V575-I577 HydrophobicContact CG2-CG1 4.28Å; V575-V600 HydrophobicContact CG2-CB 3.89Å; V575-V600 HydrophobicContact CG2-CG2 4.38Å; V575-V600 PolarHBondContact N-O 2.94Å; V575-V600 PolarHBondContact O-N 2.99Å; V575-L628 HydrophobicContact CB-CD1 3.92Å; V575-L628 HydrophobicContact CG1-CD1 4.17Å
576	I	87.9	Confident	90.8	Very high	67 Å²	67	54.3 Å²	54.3	34%	0.344	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.2	173.7	-53.7	178.8	0	0	0	107.4	A597 L629	I576-A597 HydrophobicContact CG2-CB 3.89Å; I576-L629 HydrophobicContact CB-CB 4.36Å; I576-L629 HydrophobicContact CG2-CD1 3.84Å; I576-L629 PolarHBondContact O-N 3.41Å
577	I	84.7	Confident	90.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.9	179.9	-54.1	-52.3	0	0	0	108.9	M546 I552 I567 V575 A597 V598 H626 L628	M546-I577 HydrophobicContact CE-CD1 4.16Å; M546-I577 HydrophobicContact CE-CG2 4.18Å; M546-I577 HydrophobicContact SD-CD1 4.39Å; I552-I577 HydrophobicContact CG2-CD1 4.17Å; I567-I577 HydrophobicContact CD1-CB 3.93Å; I567-I577 HydrophobicContact CD1-CG1 4.12Å; I567-I577 HydrophobicContact CD1-CG2 4.02Å; I567-I577 HydrophobicContact CG2-CG1 4.2Å; V575-I577 HydrophobicContact CB-CD1 4.38Å; V575-I577 HydrophobicContact CG2-CD1 4.1Å; V575-I577 HydrophobicContact CG2-CG1 4.28Å; I577-A597 CarbonylContact O-C 3.5Å; I577-A597 WeakPolarHBondContact O-CA 3.45Å; I577-V598 PolarHBondContact N-O 2.81Å; I577-V598 PolarHBondContact O-N 3.39Å; I577-H626 HydrophobicContact CG2-CB 3.81Å; I577-L628 HydrophobicContact CD1-CB 4.35Å; I577-L628 HydrophobicContact CD1-CD1 3.66Å
578	H	87.7	Confident	90.2	Very high	59 Å²	59	58 Å²	58	27%	0.273	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	134.3	168.3	-171.9	-92.3	0	0	0	109.7	V595 H626 S627 L629	H578-V595 WeakPolarHBondContact CE1-CG1 3.22Å; H578-V595 VanDerWaalsContact NE2-CG1 3.27Å; H578-V595 WeakPolarHBondContact NE2-CG1 3.44Å; H578-H626 CarbonylContact O-C 3.57Å; H578-H626 WeakPolarHBondContact O-CA 3.23Å; H578-S627 WeakPolarHBondContact CB-O 3.41Å; H578-S627 PolarHBondContact N-O 3.27Å; H578-S627 PolarHBondContact O-N 3.36Å; H578-L629 HydrophobicContact CB-CD1 3.9Å; H578-L629 HydrophobicContact CB-CD2 4.49Å; H578-L629 HydrophobicContact CB-CG 3.95Å
579	V	87.2	Confident	89.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.1	-178.8	-169.7	0	0	0	0	107.8	V595 F596 V598 C624 V625	V579-V595 VanDerWaalsContact O-CA 3.32Å; V579-V595 WeakPolarHBondContact O-CA 3.18Å; V579-F596 HydrophobicContact CB-CD2 4.05Å; V579-F596 HydrophobicContact CB-CE1 4.21Å; V579-F596 HydrophobicContact CB-CE2 3.65Å; V579-F596 HydrophobicContact CB-CG 4.47Å; V579-F596 HydrophobicContact CB-CZ 3.72Å; V579-F596 HydrophobicContact CG1-CE1 4.16Å; V579-F596 HydrophobicContact CG1-CE2 4.05Å; V579-F596 HydrophobicContact CG1-CZ 3.64Å; V579-F596 HydrophobicContact CG2-CD2 4.13Å; V579-F596 HydrophobicContact CG2-CE2 3.66Å; V579-F596 HydrophobicContact CG2-CZ 4.15Å; V579-F596 PolarHBondContact N-O 2.88Å; V579-F596 PolarHBondContact O-N 2.79Å; V579-V598 HydrophobicContact CG2-CG2 3.82Å; V579-C624 VanDerWaalsContact CG1-SG 3.51Å; V579-V625 WeakPolarHBondContact CA-O 2.9Å
580	N	86.9	Confident	89.7	Confident	40 Å²	40	59.2 Å²	59.2	21%	0.214	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.4	177.3	-178.9	-31.2	0	0	0	109.9	E582 V595 C624 V625	N580-E582 PolarHBondContact ND2-OE2 3Å; N580-E582 WeakPolarHBondContact OD1-CB 3.46Å; N580-E582 VanDerWaalsContact OD1-CG 3.3Å; N580-E582 WeakPolarHBondContact OD1-CG 3.29Å; N580-E582 PolarHBondContact OD1-N 2.94Å; N580-E582 PolarHBondContact OD1-OE2 2.86Å; N580-V595 HydrophobicContact CB-CG2 4.36Å; N580-C624 CarbonylContact O-C 3.41Å; N580-C624 WeakPolarHBondContact O-CA 3.39Å; N580-V625 PolarHBondContact N-O 3.29Å; N580-V625 PolarHBondContact O-N 2.88Å
581	N	84.4	Confident	89.1	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.059	30%	0.297	C	S	.	.			trans	-117.6	14.7	176.8	-52.9	-82.3	0	0	0	113.3	Q583 S584 T594 Q609 N623 C624	N581-Q583 PolarHBondContact O-N 3.46Å; N581-Q583 VanDerWaalsContact O-N 3.11Å; N581-S584 WeakPolarHBondContact O-CB 3.47Å; N581-S584 PolarHBondContact O-N 3.03Å; N581-S584 PolarHBondContact O-OG 3.13Å; N581-T594 WeakPolarHBondContact CA-O 3.34Å; N581-T594 WeakPolarHBondContact CB-O 3.5Å; N581-T594 PolarHBondContact N-O 2.91Å; N581-T594 PolarHBondContact ND2-O 2.88Å; N581-Q609 PolarHBondContact ND2-OE1 2.97Å; N581-Q609 VanDerWaalsContact ND2-OE1 3.14Å; N581-Q609 PolarHBondContact OD1-NE2 3.23Å; N581-N623 WeakPolarHBondContact CA-O 3.28Å; N581-C624 WeakPolarHBondContact OD1-CB 3.48Å; N581-C624 PolarHBondContact OD1-SG 3.47Å
582	E	88	Confident	88.7	Confident	126 Å²	126	62.7 Å²	62.7	59%	0.589	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.6	-174.2	-66.9	172.7	136.9	0	0	113.7	N580 S584 V595	N580-E582 PolarHBondContact ND2-OE2 3Å; N580-E582 WeakPolarHBondContact OD1-CB 3.46Å; N580-E582 VanDerWaalsContact OD1-CG 3.3Å; N580-E582 WeakPolarHBondContact OD1-CG 3.29Å; N580-E582 PolarHBondContact OD1-N 2.94Å; N580-E582 PolarHBondContact OD1-OE2 2.86Å; E582-S584 VanDerWaalsContact C-N 3.3Å; E582-V595 HydrophobicContact CG-CG2 3.5Å; E582-V595 VanDerWaalsContact CG-CG2 3.5Å
583	Q	88.8	Confident	88	Confident	126 Å²	126	60.7 Å²	60.7	59%	0.589	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-3	176.9	-60.9	-174.3	11.4	0	0	113.2	N581 N623	N581-Q583 PolarHBondContact O-N 3.46Å; N581-Q583 VanDerWaalsContact O-N 3.11Å; Q583-N623 HydrophobicContact CB-CB 3.93Å; Q583-N623 VanDerWaalsContact CB-ND2 3.33Å; Q583-N623 WeakPolarHBondContact CB-ND2 3.41Å; Q583-N623 PolarHBondContact OE1-ND2 3.49Å
584	S	91.1	Very high	87.4	Confident	23 Å²	23	58.4 Å²	58.4	16%	0.161	30%	0.302	C	S	.	.			trans	-74	144.4	174.5	-63	0	0	0	0	111	N581 E582 L621 N623	N581-S584 WeakPolarHBondContact O-CB 3.47Å; N581-S584 PolarHBondContact O-N 3.03Å; N581-S584 PolarHBondContact O-OG 3.13Å; E582-S584 VanDerWaalsContact C-N 3.3Å; S584-L621 CarbonylContact C-O 3.42Å; S584-L621 WeakPolarHBondContact CA-O 3.34Å; S584-L621 WeakPolarHBondContact CB-O 3.28Å; S584-N623 PolarHBondContact OG-N 2.66Å; S584-N623 PolarHBondContact OG-O 3.42Å
585	K	93.5	Very high	86.9	Confident	147 Å²	147	53.9 Å²	53.9	64%	0.639	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-130.3	142.7	-179.3	-60.7	-175.3	179.1	-177.2	0	110.7	C587 L621	K585-C587 PolarHBondContact O-N 2.96Å; K585-C587 PolarHBondContact O-SG 3.21Å; K585-L621 HydrophobicContact CB-CB 4.24Å; K585-L621 PolarHBondContact N-O 2.56Å; K585-L621 PolarHBondContact O-N 2.9Å
586	N	92.8	Very high	86.9	Confident	28 Å²	28	54.1 Å²	54.1	15%	0.15	28%	0.284	C	S	.	.	S	Bend	trans	53.2	41.1	-175	-175.3	23.2	0	0	0	111.9	P613 L614 N615 E618 E619 W620	N586-P613 VanDerWaalsContact O-CA 3.3Å; N586-P613 WeakPolarHBondContact O-CA 3.5Å; N586-L614 PolarHBondContact O-N 3.12Å; N586-L614 WeakPolarHBondContact OD1-CB 3.47Å; N586-L614 PolarHBondContact OD1-N 3.01Å; N586-N615 PolarHBondContact ND2-O 3Å; N586-N615 PolarHBondContact OD1-N 3.23Å; N586-E618 WeakPolarHBondContact ND2-CB 3.45Å; N586-E618 PolarHBondContact ND2-O 3.08Å; N586-E619 WeakPolarHBondContact CB-O 3.29Å; N586-E619 PolarHBondContact ND2-O 2.94Å; N586-W620 HydrophobicContact CB-CB 3.85Å; N586-W620 VanDerWaalsContact O-CB 3.3Å; N586-W620 WeakPolarHBondContact O-CB 3.45Å
587	C	92.3	Very high	86.6	Confident	35 Å²	35	53.7 Å²	53.7	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.7	-174.6	-71	0	0	0	0	111.7	K585 V611 M612 L621	K585-C587 PolarHBondContact O-N 2.96Å; K585-C587 PolarHBondContact O-SG 3.21Å; C587-V611 HydrophobicContact CB-CG1 3.81Å; C587-M612 CarbonylContact C-O 3.56Å; C587-M612 WeakPolarHBondContact CA-O 3.3Å; C587-L621 PolarHBondContact SG-O 2.78Å
588	L	92	Very high	86.6	Confident	43 Å²	43	54 Å²	54	23%	0.225	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110.4	175.5	-176.7	61.4	0	0	0	108.5	C375 K376 V611 M612 L614	C375-L588 HydrophobicContact CB-CD2 4.23Å; C375-L588 HydrophobicContact CB-CG 4.13Å; C375-L588 VanDerWaalsContact O-CD2 3.23Å; C375-L588 WeakPolarHBondContact O-CD2 3.46Å; C375-L588 WeakPolarHBondContact O-CG 3.41Å; C375-L588 PolarHBondContact SG-O 2.69Å; K376-L588 HydrophobicContact CG-CD2 3.87Å; L588-V611 WeakPolarHBondContact O-CA 3.26Å; L588-M612 PolarHBondContact N-O 3.31Å; L588-M612 PolarHBondContact O-N 3.3Å; L588-L614 HydrophobicContact CD1-CD1 4.46Å
589	S	90.7	Very high	86.6	Confident	16 Å²	16	56.3 Å²	56.3	11%	0.112	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.3	178.3	177.6	0	0	0	0	111.1	K378 R591 G592 Q609 H610	K378-S589 PolarHBondContact NZ-O 3.38Å; S589-R591 PolarHBondContact O-N 2.95Å; S589-R591 PolarHBondContact OG-N 2.82Å; S589-G592 PolarHBondContact O-N 3.4Å; S589-Q609 PolarHBondContact OG-OE1 2.75Å; S589-H610 WeakPolarHBondContact CA-O 3.2Å
590	N	90.7	Very high	86.7	Confident	39 Å²	39	56.3 Å²	56.3	21%	0.209	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.8	176	75.3	-46.8	0	0	0	112	T373 C375 K378 G592 Q609 H610	T373-N590 WeakPolarHBondContact O-CB 3.38Å; C375-N590 PolarHBondContact SG-N 3.37Å; K378-N590 WeakPolarHBondContact CE-O 3.49Å; K378-N590 PolarHBondContact NZ-O 2.93Å; N590-G592 PolarHBondContact O-N 2.6Å; N590-G592 VanDerWaalsContact O-N 3.09Å; N590-Q609 WeakPolarHBondContact OD1-CA 3.5Å; N590-H610 HydrophobicContact CB-CB 4.21Å; N590-H610 PolarHBondContact N-O 3.32Å; N590-H610 PolarHBondContact OD1-N 2.87Å; N590-H610 PolarHBondContact OD1-O 3.06Å
591	R	84.9	Confident	87	Confident	112 Å²	112	56.5 Å²	56.5	42%	0.423	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.1	176.9	-59.7	-59.4	-172.4	-179.3	-1.4	114.4	S589 L593 F596 V607 S608 Q609	S589-R591 PolarHBondContact O-N 2.95Å; S589-R591 PolarHBondContact OG-N 2.82Å; R591-L593 PolarHBondContact O-N 3.22Å; R591-L593 VanDerWaalsContact O-N 3.08Å; R591-F596 HydrophobicContact CB-CD1 4.13Å; R591-F596 HydrophobicContact CB-CE1 4.01Å; R591-F596 HydrophobicContact CB-CZ 4.3Å; R591-F596 HydrophobicContact CG-CD1 4.36Å; R591-F596 HydrophobicContact CG-CD2 4.28Å; R591-F596 HydrophobicContact CG-CE1 3.97Å; R591-F596 HydrophobicContact CG-CE2 3.89Å; R591-F596 HydrophobicContact CG-CZ 3.74Å; R591-V607 PolarHBondContact NH2-O 2.98Å; R591-S608 PolarHBondContact NE-O 2.9Å; R591-S608 PolarHBondContact NH2-O 3.07Å; R591-Q609 HydrophobicContact CG-CB 4.23Å
592	G	82.1	Confident	87.4	Confident	57 Å²	57	58.9 Å²	58.9	59%	0.588	33%	0.326	S	S	*	.	S	Bend	trans	68.7	2.3	-179	0	0	0	0	0	115.2	S589 N590	S589-G592 PolarHBondContact O-N 3.4Å; N590-G592 PolarHBondContact O-N 2.6Å; N590-G592 VanDerWaalsContact O-N 3.09Å
593	L	79.8	Confident	87.7	Confident	92 Å²	92	58.7 Å²	58.7	48%	0.482	32%	0.324	S	S	.	.			trans	-121.1	140.3	-179.6	-61	174.8	0	0	0	109.7	R591 F596	R591-L593 PolarHBondContact O-N 3.22Å; R591-L593 VanDerWaalsContact O-N 3.08Å; L593-F596 HydrophobicContact CB-CB 4.39Å; L593-F596 HydrophobicContact CB-CD1 4.18Å; L593-F596 HydrophobicContact CD1-CB 4.19Å
594	T	74.8	Confident	88	Confident	71 Å²	71	54.3 Å²	54.3	44%	0.436	31%	0.307	S	S	.	.	S	Bend	trans	-72.4	-34.8	171.2	48.9	0	0	0	0	111.5	N581	N581-T594 WeakPolarHBondContact CA-O 3.34Å; N581-T594 WeakPolarHBondContact CB-O 3.5Å; N581-T594 PolarHBondContact N-O 2.91Å; N581-T594 PolarHBondContact ND2-O 2.88Å
595	V	80.4	Confident	88.1	Confident	22 Å²	22	56.9 Å²	56.9	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.9	-179.8	-172.8	0	0	0	0	110.1	H578 V579 N580 E582	H578-V595 WeakPolarHBondContact CE1-CG1 3.22Å; H578-V595 VanDerWaalsContact NE2-CG1 3.27Å; H578-V595 WeakPolarHBondContact NE2-CG1 3.44Å; V579-V595 VanDerWaalsContact O-CA 3.32Å; V579-V595 WeakPolarHBondContact O-CA 3.18Å; N580-V595 HydrophobicContact CB-CG2 4.36Å; E582-V595 HydrophobicContact CG-CG2 3.5Å; E582-V595 VanDerWaalsContact CG-CG2 3.5Å
596	F	84.3	Confident	88.2	Confident	23 Å²	23	51.7 Å²	51.7	10%	0.101	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	177.9	-179.5	55.8	-89.1	0	0	0	111.3	V579 R591 L593 V598 Q609	V579-F596 HydrophobicContact CB-CD2 4.05Å; V579-F596 HydrophobicContact CB-CE1 4.21Å; V579-F596 HydrophobicContact CB-CE2 3.65Å; V579-F596 HydrophobicContact CB-CG 4.47Å; V579-F596 HydrophobicContact CB-CZ 3.72Å; V579-F596 HydrophobicContact CG1-CE1 4.16Å; V579-F596 HydrophobicContact CG1-CE2 4.05Å; V579-F596 HydrophobicContact CG1-CZ 3.64Å; V579-F596 HydrophobicContact CG2-CD2 4.13Å; V579-F596 HydrophobicContact CG2-CE2 3.66Å; V579-F596 HydrophobicContact CG2-CZ 4.15Å; V579-F596 PolarHBondContact N-O 2.88Å; V579-F596 PolarHBondContact O-N 2.79Å; R591-F596 HydrophobicContact CB-CD1 4.13Å; R591-F596 HydrophobicContact CB-CE1 4.01Å; R591-F596 HydrophobicContact CB-CZ 4.3Å; R591-F596 HydrophobicContact CG-CD1 4.36Å; R591-F596 HydrophobicContact CG-CD2 4.28Å; R591-F596 HydrophobicContact CG-CE1 3.97Å; R591-F596 HydrophobicContact CG-CE2 3.89Å; R591-F596 HydrophobicContact CG-CZ 3.74Å; L593-F596 HydrophobicContact CB-CB 4.39Å; L593-F596 HydrophobicContact CB-CD1 4.18Å; L593-F596 HydrophobicContact CD1-CB 4.19Å; F596-V598 HydrophobicContact CD2-CG2 3.85Å; F596-V598 HydrophobicContact CE2-CG2 3.59Å; F596-Q609 HydrophobicContact CZ-CB 3.95Å; F596-Q609 HydrophobicContact CZ-CG 4.25Å
597	A	82.1	Confident	88.3	Confident	58 Å²	58	50.7 Å²	50.7	48%	0.479	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146	173.4	0	0	0	0	0	110.7	I576 I577 L629	I576-A597 HydrophobicContact CG2-CB 3.89Å; I577-A597 CarbonylContact O-C 3.5Å; I577-A597 WeakPolarHBondContact O-CA 3.45Å; A597-L629 HydrophobicContact CB-CD1 4.39Å
598	V	83.6	Confident	88.4	Confident	7 Å²	7	49 Å²	49	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.6	176.9	-176.9	0	0	0	0	108.5	I567 I577 V579 F596 V600 T606	I567-V598 HydrophobicContact CD1-CB 4.12Å; I567-V598 HydrophobicContact CD1-CG1 4.14Å; I577-V598 PolarHBondContact N-O 2.81Å; I577-V598 PolarHBondContact O-N 3.39Å; V579-V598 HydrophobicContact CG2-CG2 3.82Å; F596-V598 HydrophobicContact CD2-CG2 3.85Å; F596-V598 HydrophobicContact CE2-CG2 3.59Å; V598-V600 HydrophobicContact CG1-CG2 4.16Å; V598-T606 HydrophobicContact CG1-CG2 3.75Å
599	E	88.8	Confident	88.6	Confident	106 Å²	106	47 Å²	47	50%	0.495	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133	171.2	-175.3	162.3	119.3	0	0	110.1	K574	K574-E599 VanDerWaalsContact CD-CD 3.46Å; K574-E599 HydrophobicContact CD-CG 3.75Å; K574-E599 VanDerWaalsContact CD-OE1 3.28Å; K574-E599 WeakPolarHBondContact CD-OE1 3.43Å; K574-E599 WeakPolarHBondContact CE-OE1 3.16Å; K574-E599 WeakPolarHBondContact CE-OE2 3.24Å; K574-E599 HydrophobicContact CG-CG 3.92Å; K574-E599 IonicContact NZ-OE1 2.66Å; K574-E599 PolarHBondContact NZ-OE1 2.71Å; K574-E599 IonicContact NZ-OE2 3.99Å; K574-E599 PolarHBondContact NZ-OE2 2.68Å
600	V	89.8	Confident	88.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.3	179.2	-164.8	0	0	0	0	108.5	I567 N569 V575 V598	I567-V600 HydrophobicContact CB-CG2 4.05Å; I567-V600 HydrophobicContact CD1-CG2 4.35Å; I567-V600 HydrophobicContact CG2-CG2 3.87Å; N569-V600 HydrophobicContact CB-CB 4.17Å; N569-V600 HydrophobicContact CB-CG1 3.56Å; N569-V600 PolarHBondContact ND2-O 3.34Å; V575-V600 HydrophobicContact CG2-CB 3.89Å; V575-V600 HydrophobicContact CG2-CG2 4.38Å; V575-V600 PolarHBondContact N-O 2.94Å; V575-V600 PolarHBondContact O-N 2.99Å; V598-V600 HydrophobicContact CG1-CG2 4.16Å
601	A	91.8	Very high	89	Confident	45 Å²	45	45 Å²	45	37%	0.372	26%	0.259	S	S	.	.			trans	-66.8	162.8	-179.3	0	0	0	0	0	111.6	N569 S604	N569-A601 WeakPolarHBondContact CB-O 3.49Å; N569-A601 PolarHBondContact ND2-O 3.27Å; A601-S604 PolarHBondContact N-OG 3.26Å; A601-S604 PolarHBondContact O-OG 3.23Å; A601-S604 VanDerWaalsContact O-OG 3.12Å
602	P	93.3	Very high	89.4	Confident	60 Å²	60	39.8 Å²	39.8	39%	0.39	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	140.4	170.3	-24.7	34.4	0	0	0	111.7	E572 S604	E572-P602 WeakPolarHBondContact O-CB 3.47Å; E572-P602 VanDerWaalsContact O-CG 3.24Å; E572-P602 WeakPolarHBondContact O-CG 3.42Å; P602-S604 PolarHBondContact O-N 3.12Å
603	K	94.4	Very high	89.9	Confident	123 Å²	123	37.2 Å²	37.2	54%	0.535	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	26.4	175.7	-50.2	-61.3	177.1	171.3	0	115	N569 K570 S571 E572	N569-K603 CarbonylContact O-C 3.5Å; N569-K603 WeakPolarHBondContact O-CA 3.36Å; N569-K603 PolarHBondContact O-N 2.87Å; K570-K603 WeakPolarHBondContact O-CD 3.41Å; K570-K603 WeakPolarHBondContact O-CE 3.15Å; K570-K603 PolarHBondContact O-NZ 2.89Å; S571-K603 PolarHBondContact O-N 2.67Å; E572-K603 WeakPolarHBondContact OE1-CE 3.33Å; E572-K603 IonicContact OE1-NZ 3.7Å; E572-K603 PolarHBondContact OE1-NZ 2.93Å; E572-K603 WeakPolarHBondContact OE2-CE 3.44Å; E572-K603 IonicContact OE2-NZ 2.9Å
604	S	94.3	Very high	90.4	Very high	33 Å²	33	38.5 Å²	38.5	23%	0.231	22%	0.219	C	C	.	.			trans	-118.5	167.9	-174.9	88.9	0	0	0	0	113.2	N569 A601 P602	N569-S604 PolarHBondContact N-O 3.11Å; N569-S604 PolarHBondContact O-N 2.87Å; A601-S604 PolarHBondContact N-OG 3.26Å; A601-S604 PolarHBondContact O-OG 3.23Å; A601-S604 VanDerWaalsContact O-OG 3.12Å; P602-S604 PolarHBondContact O-N 3.12Å
605	M	94.8	Very high	91	Very high	77 Å²	77	37.7 Å²	37.7	38%	0.379	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.5	170.5	-59.5	165.7	-163	0	0	108.7	C534 V538 V566 I567 E568	C534-M605 HydrophobicContact CB-CB 3.93Å; C534-M605 HydrophobicContact CB-SD 4.14Å; V538-M605 HydrophobicContact CG2-SD 4.11Å; V566-M605 HydrophobicContact CG1-CB 4.13Å; I567-M605 CarbonylContact O-C 3.47Å; I567-M605 VanDerWaalsContact O-CA 3.31Å; I567-M605 WeakPolarHBondContact O-CA 3.48Å; E568-M605 HydrophobicContact CB-CG 4.13Å; E568-M605 HydrophobicContact CG-CE 4.38Å; E568-M605 HydrophobicContact CG-CG 3.95Å
606	T	94.8	Very high	91.2	Very high	38 Å²	38	40.1 Å²	40.1	23%	0.233	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.2	177.6	-57.9	0	0	0	0	109.9	V566 I567 V598 S608	V566-T606 WeakPolarHBondContact CA-O 3.47Å; I567-T606 PolarHBondContact N-O 3.41Å; I567-T606 PolarHBondContact O-N 2.93Å; V598-T606 HydrophobicContact CG1-CG2 3.75Å; T606-S608 PolarHBondContact O-N 3.1Å
607	V	95.3	Very high	91.2	Very high	8 Å²	8	45.4 Å²	45.4	5%	0.048	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	114.8	169.6	-177.3	0	0	0	0	108.9	I533 T564 V566 R591	I533-V607 HydrophobicContact CB-CG2 4.38Å; I533-V607 HydrophobicContact CG2-CG2 3.77Å; T564-V607 HydrophobicContact CG2-CG1 4.33Å; V566-V607 HydrophobicContact CG2-CG2 4.21Å; R591-V607 PolarHBondContact NH2-O 2.98Å
608	S	94.3	Very high	91.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-58.6	178	178.6	0	0	0	0	109.7	S565 R591 T606 H626	S565-S608 VanDerWaalsContact O-CB 3.32Å; S565-S608 WeakPolarHBondContact O-CB 3.47Å; S565-S608 PolarHBondContact O-N 2.91Å; R591-S608 PolarHBondContact NE-O 2.9Å; R591-S608 PolarHBondContact NH2-O 3.07Å; T606-S608 PolarHBondContact O-N 3.1Å; S608-H626 PolarHBondContact OG-NE2 3.22Å; S608-H626 VanDerWaalsContact OG-NE2 3.1Å
609	Q	95	Very high	91.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	160.1	178.1	57.5	177.4	1.5	0	0	111.8	S565 N581 S589 N590 R591 F596 V611 Y622 C624	S565-Q609 PolarHBondContact N-O 2.95Å; S565-Q609 PolarHBondContact O-N 3.26Å; N581-Q609 PolarHBondContact ND2-OE1 2.97Å; N581-Q609 VanDerWaalsContact ND2-OE1 3.14Å; N581-Q609 PolarHBondContact OD1-NE2 3.23Å; S589-Q609 PolarHBondContact OG-OE1 2.75Å; N590-Q609 WeakPolarHBondContact OD1-CA 3.5Å; R591-Q609 HydrophobicContact CG-CB 4.23Å; F596-Q609 HydrophobicContact CZ-CB 3.95Å; F596-Q609 HydrophobicContact CZ-CG 4.25Å; Q609-V611 HydrophobicContact CG-CG2 4.1Å; Q609-Y622 PolarHBondContact NE2-OH 2.97Å; Q609-Y622 VanDerWaalsContact NE2-OH 3.08Å; Q609-C624 PolarHBondContact NE2-SG 3.12Å; Q609-C624 VanDerWaalsContact NE2-SG 3.38Å
610	H	95.6	Very high	92.1	Very high	11 Å²	11	49 Å²	49	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142.2	157.7	-52.9	-70	0	0	0	108.8	F371 T373 I563 T564 S589 N590	F371-H610 AromaticContact CE2-NE2 3.78Å; F371-H610 AromaticContact CZ-CE1 3.48Å; F371-H610 VanDerWaalsContact CZ-CE1 3.48Å; F371-H610 WeakPolarHBondContact CZ-CE1 3.35Å; F371-H610 AromaticContact CZ-ND1 3.96Å; F371-H610 AromaticContact CZ-NE2 3.5Å; F371-H610 WeakPolarHBondContact CZ-NE2 3.48Å; T373-H610 HydrophobicContact CG2-CB 3.62Å; I563-H610 CarbonylContact O-C 3.59Å; I563-H610 WeakPolarHBondContact O-CA 3.44Å; T564-H610 VanDerWaalsContact CG2-CE1 3.45Å; T564-H610 WeakPolarHBondContact CG2-CE1 3.31Å; T564-H610 VanDerWaalsContact CG2-ND1 3.27Å; T564-H610 WeakPolarHBondContact CG2-ND1 3.32Å; T564-H610 PolarHBondContact OG1-ND1 3.17Å; S589-H610 WeakPolarHBondContact CA-O 3.2Å; N590-H610 HydrophobicContact CB-CB 4.21Å; N590-H610 PolarHBondContact N-O 3.32Å; N590-H610 PolarHBondContact OD1-N 2.87Å; N590-H610 PolarHBondContact OD1-O 3.06Å
611	V	95.4	Very high	92.2	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.5	175.9	-175.8	0	0	0	0	110	R562 I563 C587 L588 Q609 W620 Y622	R562-V611 CarbonylContact C-O 3.54Å; R562-V611 VanDerWaalsContact CA-O 3.3Å; R562-V611 WeakPolarHBondContact CA-O 3.48Å; I563-V611 PolarHBondContact N-O 2.93Å; I563-V611 PolarHBondContact O-N 2.84Å; C587-V611 HydrophobicContact CB-CG1 3.81Å; L588-V611 WeakPolarHBondContact O-CA 3.26Å; Q609-V611 HydrophobicContact CG-CG2 4.1Å; V611-W620 HydrophobicContact CG1-CZ3 4.03Å; V611-Y622 HydrophobicContact CB-CD2 4.16Å; V611-Y622 HydrophobicContact CB-CE2 4.1Å; V611-Y622 HydrophobicContact CG1-CD2 4.16Å; V611-Y622 HydrophobicContact CG2-CD2 4.21Å; V611-Y622 HydrophobicContact CG2-CE2 3.74Å
612	M	93.8	Very high	92.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	165.2	175.5	-72.2	-164	76	0	0	110.4	D326 C375 I561 R562 C587 L588	D326-M612 HydrophobicContact CB-CE 3.78Å; D326-M612 HydrophobicContact CB-SD 3.77Å; C375-M612 HydrophobicContact CB-CB 4.06Å; C375-M612 HydrophobicContact CB-CG 3.94Å; C375-M612 HydrophobicContact CB-SD 4.02Å; I561-M612 HydrophobicContact CD1-CE 4.21Å; R562-M612 HydrophobicContact CB-CG 4.03Å; C587-M612 CarbonylContact C-O 3.56Å; C587-M612 WeakPolarHBondContact CA-O 3.3Å; L588-M612 PolarHBondContact N-O 3.31Å; L588-M612 PolarHBondContact O-N 3.3Å
613	P	92.1	Very high	92.4	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	146.5	165.5	27	-34.3	0	0	0	111.2	I561 N586 E616 W620	I561-P613 WeakPolarHBondContact O-CD 3.21Å; N586-P613 VanDerWaalsContact O-CA 3.3Å; N586-P613 WeakPolarHBondContact O-CA 3.5Å; P613-E616 HydrophobicContact CG-CG 3.77Å; P613-W620 HydrophobicContact CB-CB 4.5Å; P613-W620 HydrophobicContact CB-CD2 4.18Å; P613-W620 HydrophobicContact CB-CG 3.96Å
614	L	89.1	Confident	92.3	Very high	119 Å²	119	41.5 Å²	41.5	62%	0.623	21%	0.209	S	C	*	.	S	Bend	trans	-78.1	-45.1	170.1	177	66.6	0	0	0	110.6	N586 L588	N586-L614 PolarHBondContact O-N 3.12Å; N586-L614 WeakPolarHBondContact OD1-CB 3.47Å; N586-L614 PolarHBondContact OD1-N 3.01Å; L588-L614 HydrophobicContact CD1-CD1 4.46Å
615	N	88	Confident	92.2	Very high	53 Å²	53	41.9 Å²	41.9	28%	0.283	21%	0.21	S	C	.	.	S	Bend	trans	-118.2	114.4	169.2	-177.2	1.7	0	0	0	109.5	N586 Q617 E618	N586-N615 PolarHBondContact ND2-O 3Å; N586-N615 PolarHBondContact OD1-N 3.23Å; N615-Q617 PolarHBondContact O-N 2.81Å; N615-Q617 WeakPolarHBondContact OD1-CB 3.12Å; N615-Q617 PolarHBondContact OD1-N 3.36Å; N615-E618 HydrophobicContact CB-CB 4.47Å; N615-E618 PolarHBondContact ND2-OE1 2.84Å; N615-E618 PolarHBondContact O-N 2.93Å
616	E	84.1	Confident	92.1	Very high	73 Å²	73	38.3 Å²	38.3	34%	0.341	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.5	179.6	-68.5	178.7	173.4	0	0	113.9	S255 K376 P613 E618	S255-E616 PolarHBondContact N-O 3.06Å; K376-E616 IonicContact NZ-OE1 3.55Å; K376-E616 PolarHBondContact NZ-OE1 3.35Å; P613-E616 HydrophobicContact CG-CG 3.77Å; E616-E618 VanDerWaalsContact C-N 3.29Å
617	Q	85.4	Confident	91.8	Very high	134 Å²	134	37.6 Å²	37.6	63%	0.626	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.1	-179.8	-53.7	-172.4	14.2	0	0	113.3	A254 N615	A254-Q617 WeakPolarHBondContact CB-O 3.48Å; N615-Q617 PolarHBondContact O-N 2.81Å; N615-Q617 WeakPolarHBondContact OD1-CB 3.12Å; N615-Q617 PolarHBondContact OD1-N 3.36Å
618	E	88.4	Confident	91.3	Very high	109 Å²	109	38.6 Å²	38.6	51%	0.509	19%	0.194	S	C	.	.	S	Bend	trans	-112.9	158.5	-178.6	-75.1	173.2	-135.8	0	0	111.1	A254 N586 N615 E616	A254-E618 WeakPolarHBondContact CA-O 3.37Å; N586-E618 WeakPolarHBondContact ND2-CB 3.45Å; N586-E618 PolarHBondContact ND2-O 3.08Å; N615-E618 HydrophobicContact CB-CB 4.47Å; N615-E618 PolarHBondContact ND2-OE1 2.84Å; N615-E618 PolarHBondContact O-N 2.93Å; E616-E618 VanDerWaalsContact C-N 3.29Å
619	E	90.6	Very high	90.3	Very high	132 Å²	132	42.5 Å²	42.5	62%	0.617	21%	0.214	S	C	*	.			trans	-69.5	152.4	169.7	-57.9	-163.4	139	0	0	110.4	M252 A254 N586	M252-E619 WeakPolarHBondContact O-CA 3.41Å; A254-E619 HydrophobicContact CB-CG 4.45Å; N586-E619 WeakPolarHBondContact CB-O 3.29Å; N586-E619 PolarHBondContact ND2-O 2.94Å
620	W	93.4	Very high	88.5	Confident	6 Å²	6	55.9 Å²	55.9	2%	0.023	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.3	177.8	59.1	-71	0	0	0	111.8	M252 I563 N586 V611 P613	M252-W620 VanDerWaalsContact CB-CD1 3.46Å; M252-W620 HydrophobicContact CB-CD2 3.69Å; M252-W620 VanDerWaalsContact CB-CE2 3.44Å; M252-W620 HydrophobicContact CB-CG 3.74Å; M252-W620 HydrophobicContact CB-CZ2 4.11Å; M252-W620 VanDerWaalsContact CB-NE1 3.25Å; M252-W620 WeakPolarHBondContact CB-O 3.2Å; M252-W620 HydrophobicContact CE-CZ2 3.96Å; M252-W620 HydrophobicContact CG-CD2 3.92Å; M252-W620 HydrophobicContact CG-CE3 4.29Å; M252-W620 HydrophobicContact CG-CG 4.46Å; M252-W620 HydrophobicContact CG-CH2 4.28Å; M252-W620 HydrophobicContact CG-CZ2 3.85Å; M252-W620 HydrophobicContact CG-CZ3 4.48Å; M252-W620 PolarHBondContact N-O 3.42Å; M252-W620 PolarHBondContact O-N 3.19Å; I563-W620 HydrophobicContact CB-CH2 4.35Å; I563-W620 HydrophobicContact CD1-CH2 3.73Å; I563-W620 HydrophobicContact CD1-CZ3 3.7Å; I563-W620 HydrophobicContact CG1-CH2 3.78Å; I563-W620 HydrophobicContact CG1-CZ3 4.2Å; N586-W620 HydrophobicContact CB-CB 3.85Å; N586-W620 VanDerWaalsContact O-CB 3.3Å; N586-W620 WeakPolarHBondContact O-CB 3.45Å; V611-W620 HydrophobicContact CG1-CZ3 4.03Å; P613-W620 HydrophobicContact CB-CB 4.5Å; P613-W620 HydrophobicContact CB-CD2 4.18Å; P613-W620 HydrophobicContact CB-CG 3.96Å
621	L	93.3	Very high	88.2	Confident	52 Å²	52	58.2 Å²	58.2	27%	0.272	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.7	-179.8	177.6	66.6	0	0	0	107.7	T249 S584 K585 C587	T249-L621 HydrophobicContact CG2-CD1 3.98Å; S584-L621 CarbonylContact C-O 3.42Å; S584-L621 WeakPolarHBondContact CA-O 3.34Å; S584-L621 WeakPolarHBondContact CB-O 3.28Å; K585-L621 HydrophobicContact CB-CB 4.24Å; K585-L621 PolarHBondContact N-O 2.56Å; K585-L621 PolarHBondContact O-N 2.9Å; C587-L621 PolarHBondContact SG-O 2.78Å
622	Y	94.5	Very high	87.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.7	166.2	179.7	-97.1	0	0	0	108.5	T249 F250 I563 S565 Q609 V611 C624	T249-Y622 CarbonylContact C-O 3.57Å; T249-Y622 VanDerWaalsContact CA-O 3.24Å; T249-Y622 WeakPolarHBondContact CA-O 3.45Å; F250-Y622 AromaticContact CD2-CD1 3.7Å; F250-Y622 HydrophobicContact CD2-CD1 3.7Å; F250-Y622 HydrophobicContact CD2-CE1 4.25Å; F250-Y622 HydrophobicContact CE2-CD1 4.32Å; F250-Y622 HydrophobicContact CE2-CE1 4.43Å; F250-Y622 PolarHBondContact N-O 3.43Å; F250-Y622 PolarHBondContact O-N 3.09Å; I563-Y622 VanDerWaalsContact CD1-CB 3.45Å; I563-Y622 HydrophobicContact CD1-CD1 4.03Å; I563-Y622 HydrophobicContact CD1-CD2 4.01Å; I563-Y622 HydrophobicContact CD1-CG 3.58Å; I563-Y622 HydrophobicContact CG2-CD1 4.38Å; I563-Y622 HydrophobicContact CG2-CD2 4.27Å; I563-Y622 HydrophobicContact CG2-CE1 4.07Å; I563-Y622 HydrophobicContact CG2-CE2 3.97Å; I563-Y622 HydrophobicContact CG2-CG 4.45Å; S565-Y622 PolarHBondContact OG-OH 3.09Å; Q609-Y622 PolarHBondContact NE2-OH 2.97Å; Q609-Y622 VanDerWaalsContact NE2-OH 3.08Å; V611-Y622 HydrophobicContact CB-CD2 4.16Å; V611-Y622 HydrophobicContact CB-CE2 4.1Å; V611-Y622 HydrophobicContact CG1-CD2 4.16Å; V611-Y622 HydrophobicContact CG2-CD2 4.21Å; V611-Y622 HydrophobicContact CG2-CE2 3.74Å; Y622-C624 HydrophobicContact CD1-CB 4.24Å; Y622-C624 HydrophobicContact CE1-CB 3.46Å; Y622-C624 VanDerWaalsContact CE1-CB 3.46Å; Y622-C624 HydrophobicContact CE2-CB 3.97Å; Y622-C624 WeakPolarHBondContact OH-CB 3.5Å; Y622-C624 PolarHBondContact OH-SG 3.17Å
623	N	93.4	Very high	87.5	Confident	19 Å²	19	64.3 Å²	64.3	10%	0.102	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	107.3	172	-174.2	-7.9	0	0	0	108.3	T249 N581 Q583 S584	T249-N623 HydrophobicContact CG2-CB 4.25Å; N581-N623 WeakPolarHBondContact CA-O 3.28Å; Q583-N623 HydrophobicContact CB-CB 3.93Å; Q583-N623 VanDerWaalsContact CB-ND2 3.33Å; Q583-N623 WeakPolarHBondContact CB-ND2 3.41Å; Q583-N623 PolarHBondContact OE1-ND2 3.49Å; S584-N623 PolarHBondContact OG-N 2.66Å; S584-N623 PolarHBondContact OG-O 3.42Å
624	C	93.6	Very high	87.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.7	-171.8	-175.4	0	0	0	0	109.9	S247 S248 V579 N580 N581 Q609 Y622 H626	S247-C624 WeakPolarHBondContact CA-O 3.45Å; S248-C624 PolarHBondContact N-O 3.27Å; S248-C624 PolarHBondContact O-N 3.35Å; V579-C624 VanDerWaalsContact CG1-SG 3.51Å; N580-C624 CarbonylContact O-C 3.41Å; N580-C624 WeakPolarHBondContact O-CA 3.39Å; N581-C624 WeakPolarHBondContact OD1-CB 3.48Å; N581-C624 PolarHBondContact OD1-SG 3.47Å; Q609-C624 PolarHBondContact NE2-SG 3.12Å; Q609-C624 VanDerWaalsContact NE2-SG 3.38Å; Y622-C624 HydrophobicContact CD1-CB 4.24Å; Y622-C624 HydrophobicContact CE1-CB 3.46Å; Y622-C624 VanDerWaalsContact CE1-CB 3.46Å; Y622-C624 HydrophobicContact CE2-CB 3.97Å; Y622-C624 WeakPolarHBondContact OH-CB 3.5Å; Y622-C624 PolarHBondContact OH-SG 3.17Å; C624-H626 PolarHBondContact SG-CE1 3.44Å
625	V	91.5	Very high	87.1	Confident	41 Å²	41	64.8 Å²	64.8	25%	0.248	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.3	175.9	-175.3	0	0	0	0	109.4	I246 V579 N580	I246-V625 WeakPolarHBondContact O-CA 3.49Å; V579-V625 WeakPolarHBondContact CA-O 2.9Å; N580-V625 PolarHBondContact N-O 3.29Å; N580-V625 PolarHBondContact O-N 2.88Å
626	H	91.8	Very high	87	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130	170.9	-66.4	86.9	0	0	0	109.1	S245 I246 M546 V554 I577 H578 S608 C624	S245-H626 CarbonylContact C-O 3.42Å; S245-H626 WeakPolarHBondContact CA-O 3.28Å; S245-H626 WeakPolarHBondContact CB-O 3.22Å; I246-H626 HydrophobicContact CG2-CB 3.98Å; I246-H626 PolarHBondContact N-O 3.13Å; I246-H626 PolarHBondContact O-N 2.93Å; M546-H626 HydrophobicContact CE-CB 3.94Å; V554-H626 HydrophobicContact CG2-CB 4.14Å; I577-H626 HydrophobicContact CG2-CB 3.81Å; H578-H626 CarbonylContact O-C 3.57Å; H578-H626 WeakPolarHBondContact O-CA 3.23Å; S608-H626 PolarHBondContact OG-NE2 3.22Å; S608-H626 VanDerWaalsContact OG-NE2 3.1Å; C624-H626 PolarHBondContact SG-CE1 3.44Å
627	S	88.6	Confident	87.2	Confident	23 Å²	23	65 Å²	65	16%	0.161	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.9	-179.4	-65.5	0	0	0	0	111	A244 S245 H578 L629	A244-S627 CarbonylContact O-C 3.6Å; A244-S627 WeakPolarHBondContact O-CA 3.49Å; S245-S627 WeakPolarHBondContact CB-OG 3.16Å; H578-S627 WeakPolarHBondContact CB-O 3.41Å; H578-S627 PolarHBondContact N-O 3.27Å; H578-S627 PolarHBondContact O-N 3.36Å; S627-L629 PolarHBondContact O-N 3.22Å
628	L	85.2	Confident	87.4	Confident	30 Å²	30	59.7 Å²	59.7	16%	0.157	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.6	175.8	-177.5	63.3	0	0	0	110.7	A244 M546 C549 V575 I577	A244-L628 HydrophobicContact CB-CB 4.1Å; A244-L628 HydrophobicContact CB-CD2 4.44Å; A244-L628 PolarHBondContact O-N 2.8Å; M546-L628 HydrophobicContact SD-CB 3.96Å; C549-L628 VanDerWaalsContact SG-CD2 3.59Å; V575-L628 HydrophobicContact CB-CD1 3.92Å; V575-L628 HydrophobicContact CG1-CD1 4.17Å; I577-L628 HydrophobicContact CD1-CB 4.35Å; I577-L628 HydrophobicContact CD1-CD1 3.66Å
629	L	73.6	Confident	87.3	Confident	82 Å²	82	55.6 Å²	55.6	43%	0.429	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.9	164.1	-71.2	162.9	0	0	0	108.7	I576 H578 A597 S627	I576-L629 HydrophobicContact CB-CB 4.36Å; I576-L629 HydrophobicContact CG2-CD1 3.84Å; I576-L629 PolarHBondContact O-N 3.41Å; H578-L629 HydrophobicContact CB-CD1 3.9Å; H578-L629 HydrophobicContact CB-CD2 4.49Å; H578-L629 HydrophobicContact CB-CG 3.95Å; A597-L629 HydrophobicContact CB-CD1 4.39Å; S627-L629 PolarHBondContact O-N 3.22Å
630	R	58	Low	87	Confident	281 Å²	281	48.6 Å²	48.6	100%	1.06	22%	0.223	S	C	*	.			trans	-100.8	0	170.5	-73.1	-173.6	179.1	171.6	1	109.6

Retrieved 630 of 630 residues in 402.3 ms (Link to these results)

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