A0A3Q0KDT8_SCHMA Loading...

Putative ribonuclease p/mrp subunit AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 778 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	31.2	Very low	235 Å²	235	159.8 Å²	159.8	100%	1.158	80%	0.801	S	S	*	*				0	97.9	0	-80	176.9	163.6	0	0	106.6
2	W	31.9	Very low	31.6	Very low	255 Å²	255	153.9 Å²	153.9	97%	0.966	79%	0.786	S	S	*	*			cis	-127	138.9	21.5	-68.1	6	0	0	0	110.7
3	T	27.4	Very low	32	Very low	137 Å²	137	154.1 Å²	154.1	84%	0.84	79%	0.79	S	S	*	*			trans	-123.1	122.3	161	27.8	0	0	0	0	106.7
4	P	37.1	Very low	32.5	Very low	127 Å²	127	149.4 Å²	149.4	83%	0.825	77%	0.766	S	S	*	*			trans	-90.1	122.1	161.2	28.1	-18	0	0	0	109.1
5	M	29.4	Very low	32.9	Very low	176 Å²	176	144.6 Å²	144.6	87%	0.867	77%	0.769	S	S	*	*			trans	-45.2	140.9	170.4	-89	-107.6	-174.2	0	0	114	T7	M5-T7 PolarHBondContact O-N 3.5Å
6	S	26.8	Very low	34.4	Very low	84 Å²	84	138.1 Å²	138.1	59%	0.587	74%	0.739	S	S	*	*			trans	-36.8	127.3	151.3	-179.1	0	0	0	0	112.5
7	T	29.8	Very low	35.4	Very low	128 Å²	128	135 Å²	135	79%	0.785	72%	0.717	S	S	*	*			trans	-124.7	83	152.4	12.9	0	0	0	0	106.9	M5 I9	M5-T7 PolarHBondContact O-N 3.5Å; T7-I9 PolarHBondContact O-N 3.18Å
8	Y	31.2	Very low	36.6	Very low	199 Å²	199	132.9 Å²	132.9	78%	0.78	71%	0.711	S	S	*	*			trans	-65.4	106.8	154.5	-94.7	-95	0	0	0	107
9	I	31.5	Very low	37.3	Very low	127 Å²	127	130.7 Å²	130.7	65%	0.651	70%	0.696	S	S	*	*			trans	-93.4	95.5	164.1	-68.1	178.2	0	0	0	105.9	T7 I11	T7-I9 PolarHBondContact O-N 3.18Å; I9-I11 HydrophobicContact CG2-CB 4.48Å; I9-I11 HydrophobicContact CG2-CD1 3.3Å; I9-I11 HydrophobicContact CG2-CG1 3.41Å; I9-I11 VanDerWaalsContact CG2-CG1 3.41Å; I9-I11 PolarHBondContact O-N 3.5Å
10	F	31	Very low	38.2	Very low	182 Å²	182	127.1 Å²	127.1	80%	0.798	68%	0.676	S	S	*	*			trans	-68.5	112.6	155.7	-105.8	-94.7	0	0	0	106.4
11	I	35.5	Very low	38.8	Very low	108 Å²	108	123.6 Å²	123.6	55%	0.554	66%	0.661	S	S	*	*			trans	-115.8	86	162.1	-71.4	160.4	0	0	0	105.8	I9 L14	I9-I11 HydrophobicContact CG2-CB 4.48Å; I9-I11 HydrophobicContact CG2-CD1 3.3Å; I9-I11 HydrophobicContact CG2-CG1 3.41Å; I9-I11 VanDerWaalsContact CG2-CG1 3.41Å; I9-I11 PolarHBondContact O-N 3.5Å; I11-L14 HydrophobicContact CB-CD1 4.4Å; I11-L14 HydrophobicContact CD1-CD1 3.88Å; I11-L14 HydrophobicContact CG1-CD1 4.17Å; I11-L14 HydrophobicContact CG2-CB 3.92Å; I11-L14 HydrophobicContact CG2-CD1 3.34Å; I11-L14 HydrophobicContact CG2-CG 3.56Å
12	S	35.2	Very low	39.8	Very low	89 Å²	89	118.1 Å²	118.1	62%	0.622	64%	0.636	S	S	*	*			trans	-77	138.3	142.3	44.7	0	0	0	0	107.1
13	D	37.1	Very low	40.7	Very low	156 Å²	156	112.9 Å²	112.9	83%	0.834	62%	0.62	S	S	*	*			trans	72	78.9	176.8	-60.1	-23.9	0	0	0	117.7
14	L	39.7	Very low	42.1	Very low	88 Å²	88	110.5 Å²	110.5	46%	0.461	61%	0.605	S	S	.	*			trans	-135.8	87.7	157.5	-80.3	173.8	0	0	0	110.7	I11 S16 Q19	I11-L14 HydrophobicContact CB-CD1 4.4Å; I11-L14 HydrophobicContact CD1-CD1 3.88Å; I11-L14 HydrophobicContact CG1-CD1 4.17Å; I11-L14 HydrophobicContact CG2-CB 3.92Å; I11-L14 HydrophobicContact CG2-CD1 3.34Å; I11-L14 HydrophobicContact CG2-CG 3.56Å; L14-S16 PolarHBondContact O-N 2.89Å; L14-Q19 VanDerWaalsContact CD2-OE1 3.32Å
15	G	38.3	Very low	43	Very low	78 Å²	78	111.6 Å²	111.6	80%	0.804	60%	0.597	S	S	*	*			trans	-91.8	73.8	178.2	0	0	0	0	0	114
16	S	56.4	Low	44.5	Very low	41 Å²	41	105.3 Å²	105.3	29%	0.287	57%	0.573	S	S	.	*			trans	-152.6	129.6	155.7	87.3	0	0	0	0	111.8	L14 T18 Q19	L14-S16 PolarHBondContact O-N 2.89Å; S16-T18 PolarHBondContact O-N 3.38Å; S16-T18 PolarHBondContact OG-OG1 3.12Å; S16-T18 VanDerWaalsContact OG-OG1 3.12Å; S16-Q19 PolarHBondContact O-N 3.06Å
17	F	52	Low	46.1	Very low	85 Å²	85	104 Å²	104	37%	0.373	56%	0.561	S	S	.	*	H	α-helix	trans	-49.5	-30.9	179.7	-169.6	-119.5	0	0	0	114	Q19 I20 C21 E566 N567	F17-Q19 PolarHBondContact O-N 2.8Å; F17-I20 PolarHBondContact O-N 3.25Å; F17-C21 PolarHBondContact O-N 3.27Å; F17-E566 WeakPolarHBondContact CA-OE2 3.26Å; F17-E566 HydrophobicContact CD2-CB 3.58Å; F17-E566 WeakPolarHBondContact CD2-O 3.4Å; F17-E566 HydrophobicContact CE2-CB 4.23Å; F17-E566 WeakPolarHBondContact CE2-O 3.28Å; F17-E566 PolarHBondContact N-OE2 2.93Å; F17-N567 HydrophobicContact CB-CB 4.11Å; F17-N567 HydrophobicContact CD2-CB 4.14Å; F17-N567 HydrophobicContact CG-CB 4.12Å
18	T	55.6	Low	47.8	Very low	98 Å²	98	100.8 Å²	100.8	60%	0.601	54%	0.544	S	S	*	.	H	α-helix	trans	-62.9	-35.9	177.4	11.8	0	0	0	0	113.2	S16 L22	S16-T18 PolarHBondContact O-N 3.38Å; S16-T18 PolarHBondContact OG-OG1 3.12Å; S16-T18 VanDerWaalsContact OG-OG1 3.12Å; T18-L22 WeakPolarHBondContact O-CB 3.5Å; T18-L22 PolarHBondContact O-N 3.31Å
19	Q	50.9	Low	49.4	Very low	90 Å²	90	94.7 Å²	94.7	42%	0.421	53%	0.528	S	S	.	.	H	α-helix	trans	-75	-36.4	178.5	-71.4	-167.4	-1.5	0	0	112.1	L14 S16 F17 L22 F23	L14-Q19 VanDerWaalsContact CD2-OE1 3.32Å; S16-Q19 PolarHBondContact O-N 3.06Å; F17-Q19 PolarHBondContact O-N 2.8Å; Q19-L22 PolarHBondContact O-N 3.28Å; Q19-F23 PolarHBondContact O-N 2.95Å
20	I	55.1	Low	51.1	Low	58 Å²	58	94.2 Å²	94.2	30%	0.297	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-45.5	172.7	-60.7	-172.7	0	0	0	110.1	F17 L22 F23 V24 E566	F17-I20 PolarHBondContact O-N 3.25Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.38Å; I20-F23 PolarHBondContact O-N 3.39Å; I20-F23 VanDerWaalsContact O-N 3.14Å; I20-V24 HydrophobicContact CG2-CG2 4.4Å; I20-V24 WeakPolarHBondContact O-CG2 3.45Å; I20-V24 PolarHBondContact O-N 2.98Å; I20-E566 HydrophobicContact CD1-CB 4.29Å; I20-E566 HydrophobicContact CD1-CG 3.88Å; I20-E566 WeakPolarHBondContact CD1-OE2 3.21Å
21	C	50.5	Low	52.8	Low	54 Å²	54	88.9 Å²	88.9	37%	0.365	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-37.8	175.6	-88.2	0	0	0	0	113	F17 K25	F17-C21 PolarHBondContact O-N 3.27Å; C21-K25 WeakPolarHBondContact O-CB 3.33Å; C21-K25 WeakPolarHBondContact O-CG 3.21Å; C21-K25 PolarHBondContact O-N 2.89Å
22	L	53.8	Low	54.4	Low	120 Å²	120	88.6 Å²	88.6	63%	0.628	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-39.8	173.2	-98.1	153.8	0	0	0	111.9	T18 Q19 I20 K25 A26	T18-L22 WeakPolarHBondContact O-CB 3.5Å; T18-L22 PolarHBondContact O-N 3.31Å; Q19-L22 PolarHBondContact O-N 3.28Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.38Å; L22-K25 PolarHBondContact O-N 3.25Å; L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.3Å; L22-A26 PolarHBondContact O-N 3.03Å
23	F	50.6	Low	56.1	Low	146 Å²	146	89.8 Å²	89.8	64%	0.64	51%	0.507	S	S	*	.	H	α-helix	trans	-68.5	-41.3	177	-166.4	-95.8	0	0	0	112.4	Q19 I20 A26 T27	Q19-F23 PolarHBondContact O-N 2.95Å; I20-F23 PolarHBondContact O-N 3.39Å; I20-F23 VanDerWaalsContact O-N 3.14Å; F23-A26 PolarHBondContact O-N 3.49Å; F23-T27 HydrophobicContact CD1-CG2 4.11Å; F23-T27 HydrophobicContact CE1-CG2 3.79Å; F23-T27 HydrophobicContact CZ-CG2 4.18Å; F23-T27 WeakPolarHBondContact O-CG2 3.48Å; F23-T27 PolarHBondContact O-N 3.39Å; F23-T27 PolarHBondContact O-OG1 2.99Å
24	V	56.8	Low	57.5	Low	87 Å²	87	90.6 Å²	90.6	53%	0.527	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-41.8	173.7	174.1	0	0	0	0	110.9	I20 T27 S28	I20-V24 HydrophobicContact CG2-CG2 4.4Å; I20-V24 WeakPolarHBondContact O-CG2 3.45Å; I20-V24 PolarHBondContact O-N 2.98Å; V24-T27 WeakPolarHBondContact CA-OG1 3.23Å; V24-T27 PolarHBondContact O-OG1 3.09Å; V24-T27 VanDerWaalsContact O-OG1 3.05Å; V24-S28 VanDerWaalsContact O-CB 3.24Å; V24-S28 WeakPolarHBondContact O-CB 3.43Å; V24-S28 PolarHBondContact O-N 3.03Å
25	K	56.2	Low	58.7	Low	149 Å²	149	88.7 Å²	88.7	65%	0.648	49%	0.493	S	S	*	.	H	α-helix	trans	-63.4	-42.5	173.2	-77.7	176.6	177.5	175.9	0	111.8	C21 L22 S28 T29	C21-K25 WeakPolarHBondContact O-CB 3.33Å; C21-K25 WeakPolarHBondContact O-CG 3.21Å; C21-K25 PolarHBondContact O-N 2.89Å; L22-K25 PolarHBondContact O-N 3.25Å; K25-S28 PolarHBondContact O-N 3.19Å; K25-T29 VanDerWaalsContact O-CG2 3.31Å; K25-T29 WeakPolarHBondContact O-CG2 3.22Å; K25-T29 PolarHBondContact O-N 3.05Å; K25-T29 PolarHBondContact O-OG1 3.24Å; K25-T29 VanDerWaalsContact O-OG1 3.07Å
26	A	59.7	Low	60	Low	44 Å²	44	87.5 Å²	87.5	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-66.2	-40.3	179.5	0	0	0	0	0	112.8	L22 F23 T29 L30	L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.3Å; L22-A26 PolarHBondContact O-N 3.03Å; F23-A26 PolarHBondContact O-N 3.49Å; A26-T29 WeakPolarHBondContact CA-OG1 3.47Å; A26-T29 PolarHBondContact O-OG1 3.16Å; A26-L30 WeakPolarHBondContact O-CB 3.24Å; A26-L30 PolarHBondContact O-N 2.77Å
27	T	60.5	Low	60.8	Low	56 Å²	56	91.5 Å²	91.5	34%	0.344	49%	0.485	S	S	.	.	H	α-helix	trans	-70.7	-38.4	176.1	51.5	0	0	0	0	111.6	F23 V24 L30 C31	F23-T27 HydrophobicContact CD1-CG2 4.11Å; F23-T27 HydrophobicContact CE1-CG2 3.79Å; F23-T27 HydrophobicContact CZ-CG2 4.18Å; F23-T27 WeakPolarHBondContact O-CG2 3.48Å; F23-T27 PolarHBondContact O-N 3.39Å; F23-T27 PolarHBondContact O-OG1 2.99Å; V24-T27 WeakPolarHBondContact CA-OG1 3.23Å; V24-T27 PolarHBondContact O-OG1 3.09Å; V24-T27 VanDerWaalsContact O-OG1 3.05Å; T27-L30 PolarHBondContact O-N 3.39Å; T27-C31 WeakPolarHBondContact O-CB 3.26Å; T27-C31 PolarHBondContact O-N 3.12Å; T27-C31 PolarHBondContact O-SG 3.35Å
28	S	65.3	Low	61.5	Low	61 Å²	61	90.8 Å²	90.8	43%	0.427	49%	0.488	S	S	.	.	H	α-helix	trans	-61.6	-46.3	172.2	-178.6	0	0	0	0	112	V24 K25 C31 I32	V24-S28 VanDerWaalsContact O-CB 3.24Å; V24-S28 WeakPolarHBondContact O-CB 3.43Å; V24-S28 PolarHBondContact O-N 3.03Å; K25-S28 PolarHBondContact O-N 3.19Å; S28-C31 WeakPolarHBondContact O-CB 3.37Å; S28-C31 PolarHBondContact O-N 3.31Å; S28-I32 VanDerWaalsContact O-CG1 3.28Å; S28-I32 WeakPolarHBondContact O-CG1 2.93Å; S28-I32 PolarHBondContact O-N 2.83Å
29	T	64.7	Low	61.8	Low	72 Å²	72	89.3 Å²	89.3	44%	0.442	47%	0.473	S	S	.	.	H	α-helix	trans	-66.7	-38.5	177.3	54.5	0	0	0	0	111.9	K25 A26 C31 I32 I33	K25-T29 VanDerWaalsContact O-CG2 3.31Å; K25-T29 WeakPolarHBondContact O-CG2 3.22Å; K25-T29 PolarHBondContact O-N 3.05Å; K25-T29 PolarHBondContact O-OG1 3.24Å; K25-T29 VanDerWaalsContact O-OG1 3.07Å; A26-T29 WeakPolarHBondContact CA-OG1 3.47Å; A26-T29 PolarHBondContact O-OG1 3.16Å; T29-C31 PolarHBondContact O-N 2.99Å; T29-I32 PolarHBondContact O-N 3.04Å; T29-I33 WeakPolarHBondContact O-CB 3.39Å; T29-I33 WeakPolarHBondContact O-CD1 3.3Å; T29-I33 WeakPolarHBondContact O-CG1 3.25Å; T29-I33 PolarHBondContact O-N 3.34Å
30	L	68.3	Low	62.2	Low	117 Å²	117	87.5 Å²	87.5	61%	0.613	47%	0.473	S	S	*	.	H	α-helix	trans	-60.6	-42.1	171.6	-102.2	149.5	0	0	0	112.2	A26 T27 I33 W34	A26-L30 WeakPolarHBondContact O-CB 3.24Å; A26-L30 PolarHBondContact O-N 2.77Å; T27-L30 PolarHBondContact O-N 3.39Å; L30-I33 PolarHBondContact O-N 3.35Å; L30-W34 VanDerWaalsContact O-CB 3.23Å; L30-W34 WeakPolarHBondContact O-CB 3.38Å; L30-W34 PolarHBondContact O-N 2.95Å
31	C	66.6	Low	62.5	Low	70 Å²	70	88.6 Å²	88.6	47%	0.473	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-41.2	173.9	-77.2	0	0	0	0	112.1	T27 S28 T29 W34 S35	T27-C31 WeakPolarHBondContact O-CB 3.26Å; T27-C31 PolarHBondContact O-N 3.12Å; T27-C31 PolarHBondContact O-SG 3.35Å; S28-C31 WeakPolarHBondContact O-CB 3.37Å; S28-C31 PolarHBondContact O-N 3.31Å; T29-C31 PolarHBondContact O-N 2.99Å; C31-W34 PolarHBondContact O-N 3.47Å; C31-S35 VanDerWaalsContact O-CB 3.31Å; C31-S35 WeakPolarHBondContact O-CB 3.47Å; C31-S35 PolarHBondContact O-N 3.12Å; C31-S35 PolarHBondContact O-OG 2.65Å
32	I	70	Confident	62.9	Low	102 Å²	102	87.8 Å²	87.8	52%	0.523	47%	0.473	S	S	.	.	H	α-helix	trans	-65	-47.1	176.1	-67.2	165.3	0	0	0	110.3	S28 T29 W34 S35 A36	S28-I32 VanDerWaalsContact O-CG1 3.28Å; S28-I32 WeakPolarHBondContact O-CG1 2.93Å; S28-I32 PolarHBondContact O-N 2.83Å; T29-I32 PolarHBondContact O-N 3.04Å; I32-W34 PolarHBondContact O-N 3.37Å; I32-S35 WeakPolarHBondContact CA-OG 3.49Å; I32-S35 PolarHBondContact O-N 3.23Å; I32-S35 PolarHBondContact O-OG 3.04Å; I32-A36 WeakPolarHBondContact O-CB 3.33Å; I32-A36 PolarHBondContact O-N 3.17Å
33	I	70.4	Confident	62.8	Low	113 Å²	113	90.1 Å²	90.1	58%	0.579	47%	0.473	S	S	*	.	H	α-helix	trans	-62.6	-42.9	177.8	-68	163.7	0	0	0	110.6	T29 L30 A36 Y37	T29-I33 WeakPolarHBondContact O-CB 3.39Å; T29-I33 WeakPolarHBondContact O-CD1 3.3Å; T29-I33 WeakPolarHBondContact O-CG1 3.25Å; T29-I33 PolarHBondContact O-N 3.34Å; L30-I33 PolarHBondContact O-N 3.35Å; I33-A36 PolarHBondContact O-N 3.17Å; I33-Y37 WeakPolarHBondContact O-CB 3.29Å; I33-Y37 PolarHBondContact O-N 3.16Å
34	W	66	Low	62.6	Low	174 Å²	174	88.8 Å²	88.8	66%	0.659	47%	0.473	S	S	*	.	H	α-helix	trans	-64.1	-43.5	176	-173.6	-95.7	0	0	0	111.4	L30 C31 I32 A36 Y37 V38	L30-W34 VanDerWaalsContact O-CB 3.23Å; L30-W34 WeakPolarHBondContact O-CB 3.38Å; L30-W34 PolarHBondContact O-N 2.95Å; C31-W34 PolarHBondContact O-N 3.47Å; I32-W34 PolarHBondContact O-N 3.37Å; W34-A36 PolarHBondContact O-N 3.44Å; W34-Y37 PolarHBondContact O-N 3.18Å; W34-V38 WeakPolarHBondContact O-CB 3.31Å; W34-V38 VanDerWaalsContact O-CG2 3.29Å; W34-V38 WeakPolarHBondContact O-CG2 3.45Å; W34-V38 PolarHBondContact O-N 3Å
35	S	65.1	Low	62.1	Low	48 Å²	48	90.6 Å²	90.6	34%	0.336	47%	0.474	S	S	.	.	H	α-helix	trans	-60.8	-45	174.7	76.1	0	0	0	0	111.1	C31 I32 Y37 V38 F39	C31-S35 VanDerWaalsContact O-CB 3.31Å; C31-S35 WeakPolarHBondContact O-CB 3.47Å; C31-S35 PolarHBondContact O-N 3.12Å; C31-S35 PolarHBondContact O-OG 2.65Å; I32-S35 WeakPolarHBondContact CA-OG 3.49Å; I32-S35 PolarHBondContact O-N 3.23Å; I32-S35 PolarHBondContact O-OG 3.04Å; S35-Y37 PolarHBondContact O-N 3.25Å; S35-V38 PolarHBondContact O-N 3.47Å; S35-F39 VanDerWaalsContact C-CD2 3.47Å; S35-F39 WeakPolarHBondContact O-CB 3.39Å; S35-F39 WeakPolarHBondContact O-CD2 3.31Å; S35-F39 WeakPolarHBondContact O-CG 3.5Å; S35-F39 PolarHBondContact O-N 3.29Å
36	A	65.4	Low	61.5	Low	53 Å²	53	87.5 Å²	87.5	44%	0.438	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-39.2	176.2	0	0	0	0	0	112.4	I32 I33 W34 F39 A40	I32-A36 WeakPolarHBondContact O-CB 3.33Å; I32-A36 PolarHBondContact O-N 3.17Å; I33-A36 PolarHBondContact O-N 3.17Å; W34-A36 PolarHBondContact O-N 3.44Å; A36-F39 PolarHBondContact O-N 2.97Å; A36-A40 WeakPolarHBondContact O-CB 3.31Å; A36-A40 PolarHBondContact O-N 2.7Å
37	Y	72.6	Confident	60.6	Low	125 Å²	125	94 Å²	94	49%	0.49	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-46.3	174.1	174.8	-96.6	0	0	0	111.5	I33 W34 S35 F39 A40 K41	I33-Y37 WeakPolarHBondContact O-CB 3.29Å; I33-Y37 PolarHBondContact O-N 3.16Å; W34-Y37 PolarHBondContact O-N 3.18Å; S35-Y37 PolarHBondContact O-N 3.25Å; Y37-F39 VanDerWaalsContact C-N 3.32Å; Y37-F39 PolarHBondContact O-N 3.36Å; Y37-A40 PolarHBondContact O-N 3.06Å; Y37-K41 HydrophobicContact CE1-CD 4.08Å; Y37-K41 VanDerWaalsContact O-CB 3.3Å; Y37-K41 WeakPolarHBondContact O-CB 3.38Å; Y37-K41 PolarHBondContact O-N 2.95Å
38	V	67	Low	59.7	Low	70 Å²	70	100.1 Å²	100.1	42%	0.424	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-41.1	174.7	172.6	0	0	0	0	110.5	W34 S35 K41 A42	W34-V38 WeakPolarHBondContact O-CB 3.31Å; W34-V38 VanDerWaalsContact O-CG2 3.29Å; W34-V38 WeakPolarHBondContact O-CG2 3.45Å; W34-V38 PolarHBondContact O-N 3Å; S35-V38 PolarHBondContact O-N 3.47Å; V38-K41 PolarHBondContact O-N 3.43Å; V38-A42 WeakPolarHBondContact O-CB 3.25Å; V38-A42 PolarHBondContact O-N 3.05Å
39	F	61.7	Low	58.5	Low	66 Å²	66	102 Å²	102	29%	0.289	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-46	175	-76.2	-56.1	0	0	0	113.2	S35 A36 Y37 K41 A42 R43 M100 L103	S35-F39 VanDerWaalsContact C-CD2 3.47Å; S35-F39 WeakPolarHBondContact O-CB 3.39Å; S35-F39 WeakPolarHBondContact O-CD2 3.31Å; S35-F39 WeakPolarHBondContact O-CG 3.5Å; S35-F39 PolarHBondContact O-N 3.29Å; A36-F39 PolarHBondContact O-N 2.97Å; Y37-F39 VanDerWaalsContact C-N 3.32Å; Y37-F39 PolarHBondContact O-N 3.36Å; F39-K41 VanDerWaalsContact C-N 3.3Å; F39-K41 PolarHBondContact O-N 3.41Å; F39-A42 PolarHBondContact O-N 3.31Å; F39-R43 PolarHBondContact O-N 3.02Å; F39-M100 HydrophobicContact CD1-CE 3.41Å; F39-M100 VanDerWaalsContact CD1-CE 3.41Å; F39-M100 HydrophobicContact CE1-CE 3.43Å; F39-M100 VanDerWaalsContact CE1-CE 3.43Å; F39-L103 HydrophobicContact CD1-CD2 4.06Å; F39-L103 HydrophobicContact CD2-CD2 4.41Å; F39-L103 HydrophobicContact CE1-CD2 3.24Å; F39-L103 HydrophobicContact CE2-CD2 3.69Å; F39-L103 HydrophobicContact CZ-CD1 4.2Å; F39-L103 HydrophobicContact CZ-CD2 3.06Å; F39-L103 HydrophobicContact CZ-CG 4.19Å
40	A	60.5	Low	57.4	Low	52 Å²	52	101 Å²	101	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-40.9	177.9	0	0	0	0	0	111	A36 Y37 R43 L44	A36-A40 WeakPolarHBondContact O-CB 3.31Å; A36-A40 PolarHBondContact O-N 2.7Å; Y37-A40 PolarHBondContact O-N 3.06Å; A40-R43 PolarHBondContact O-N 3.48Å; A40-L44 WeakPolarHBondContact O-CG 3.43Å; A40-L44 PolarHBondContact O-N 3.25Å
41	K	59.7	Low	56.1	Low	81 Å²	81	99.8 Å²	99.8	35%	0.352	50%	0.498	S	S	.	.	H	α-helix	trans	-69.9	-40.8	178.2	-166.1	168.7	179.1	173.4	0	112.2	Y37 V38 F39 R43 L44 F45	Y37-K41 HydrophobicContact CE1-CD 4.08Å; Y37-K41 VanDerWaalsContact O-CB 3.3Å; Y37-K41 WeakPolarHBondContact O-CB 3.38Å; Y37-K41 PolarHBondContact O-N 2.95Å; V38-K41 PolarHBondContact O-N 3.43Å; F39-K41 VanDerWaalsContact C-N 3.3Å; F39-K41 PolarHBondContact O-N 3.41Å; K41-R43 VanDerWaalsContact C-N 3.35Å; K41-R43 PolarHBondContact O-N 3.39Å; K41-L44 PolarHBondContact O-N 3.15Å; K41-F45 HydrophobicContact CG-CD2 4.14Å; K41-F45 HydrophobicContact CG-CE2 4.09Å; K41-F45 WeakPolarHBondContact O-CD2 3.22Å; K41-F45 PolarHBondContact O-N 2.98Å
42	A	59.7	Low	55	Low	37 Å²	37	100.5 Å²	100.5	31%	0.306	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-41.2	174.1	0	0	0	0	0	112.1	V38 F39 F45 S46	V38-A42 WeakPolarHBondContact O-CB 3.25Å; V38-A42 PolarHBondContact O-N 3.05Å; F39-A42 PolarHBondContact O-N 3.31Å; A42-F45 PolarHBondContact O-N 3.21Å; A42-S46 PolarHBondContact O-N 2.76Å
43	R	51	Low	53.6	Low	169 Å²	169	102.4 Å²	102.4	64%	0.638	50%	0.503	S	S	*	.	H	α-helix	trans	-64.3	-38.8	173.6	-78.2	-177.4	176.8	157.6	0.4	112.9	F39 A40 K41 S46 R47	F39-R43 PolarHBondContact O-N 3.02Å; A40-R43 PolarHBondContact O-N 3.48Å; K41-R43 VanDerWaalsContact C-N 3.35Å; K41-R43 PolarHBondContact O-N 3.39Å; R43-S46 PolarHBondContact O-N 3.09Å; R43-R47 PolarHBondContact O-N 3.04Å
44	L	47.4	Very low	52	Low	119 Å²	119	102.6 Å²	102.6	62%	0.623	51%	0.505	S	S	*	.	H	α-helix	trans	-66.8	-36.3	176.5	-76.6	169.3	0	0	0	112.4	A40 K41 R48	A40-L44 WeakPolarHBondContact O-CG 3.43Å; A40-L44 PolarHBondContact O-N 3.25Å; K41-L44 PolarHBondContact O-N 3.15Å; L44-R48 WeakPolarHBondContact O-CB 3.37Å; L44-R48 PolarHBondContact O-N 3.04Å
45	F	45.1	Very low	50.7	Low	125 Å²	125	98.2 Å²	98.2	55%	0.548	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-45.6	173	-90.7	-77.9	0	0	0	111.7	K41 A42 R47 R48 D49	K41-F45 HydrophobicContact CG-CD2 4.14Å; K41-F45 HydrophobicContact CG-CE2 4.09Å; K41-F45 WeakPolarHBondContact O-CD2 3.22Å; K41-F45 PolarHBondContact O-N 2.98Å; A42-F45 PolarHBondContact O-N 3.21Å; F45-R47 VanDerWaalsContact C-N 3.3Å; F45-R47 PolarHBondContact O-N 3.32Å; F45-R48 PolarHBondContact O-N 3.44Å; F45-R48 VanDerWaalsContact O-N 3.15Å; F45-D49 PolarHBondContact O-N 3.19Å
46	S	45.5	Very low	49.4	Very low	84 Å²	84	100.4 Å²	100.4	59%	0.587	50%	0.504	S	S	*	.	H	α-helix	trans	-63.8	-32.9	177.9	-163.9	0	0	0	0	113.3	A42 R43 S50	A42-S46 PolarHBondContact O-N 2.76Å; R43-S46 PolarHBondContact O-N 3.09Å; S46-S50 PolarHBondContact O-N 3.45Å; S46-S50 PolarHBondContact O-OG 3.37Å
47	R	40.9	Very low	48	Very low	181 Å²	181	103.9 Å²	103.9	68%	0.683	52%	0.516	S	S	*	.	H	α-helix	trans	-72.3	-37	173	-102.1	-175.8	174.7	-177.7	-2.9	112.9	R43 F45 D49 S50 D51	R43-R47 PolarHBondContact O-N 3.04Å; F45-R47 VanDerWaalsContact C-N 3.3Å; F45-R47 PolarHBondContact O-N 3.32Å; R47-D49 VanDerWaalsContact C-N 3.34Å; R47-S50 WeakPolarHBondContact CA-OG 3.12Å; R47-S50 PolarHBondContact O-N 3.22Å; R47-S50 PolarHBondContact O-OG 3.45Å; R47-D51 WeakPolarHBondContact O-CB 3.34Å; R47-D51 PolarHBondContact O-N 3.4Å
48	R	40.6	Very low	46.2	Very low	183 Å²	183	105 Å²	105	69%	0.691	53%	0.53	S	S	*	.	H	α-helix	trans	-67.9	-35.5	178.3	-123.8	175.1	169.8	130.3	-2.8	111.7	L44 F45 D51 I52	L44-R48 WeakPolarHBondContact O-CB 3.37Å; L44-R48 PolarHBondContact O-N 3.04Å; F45-R48 PolarHBondContact O-N 3.44Å; F45-R48 VanDerWaalsContact O-N 3.15Å; R48-D51 PolarHBondContact O-N 3.49Å; R48-I52 HydrophobicContact CG-CD1 4.46Å; R48-I52 VanDerWaalsContact O-CB 3.3Å; R48-I52 WeakPolarHBondContact O-CB 3.37Å; R48-I52 WeakPolarHBondContact O-CD1 3.42Å; R48-I52 WeakPolarHBondContact O-CG1 3.43Å; R48-I52 PolarHBondContact O-N 2.88Å
49	D	40.7	Very low	44.6	Very low	100 Å²	100	110 Å²	110	54%	0.535	55%	0.546	S	S	.	.	H	α-helix	trans	-72.1	-33.4	176.1	-68.3	-24.3	0	0	0	112.2	F45 R47 H53	F45-D49 PolarHBondContact O-N 3.19Å; R47-D49 VanDerWaalsContact C-N 3.34Å; D49-H53 PolarHBondContact O-N 3.33Å
50	S	40.4	Very low	43.3	Very low	52 Å²	52	115.6 Å²	115.6	36%	0.364	57%	0.57	S	S	.	*	H	α-helix	trans	-72.9	-33.4	172.4	60.8	0	0	0	0	113.4	S46 R47 N54	S46-S50 PolarHBondContact O-N 3.45Å; S46-S50 PolarHBondContact O-OG 3.37Å; R47-S50 WeakPolarHBondContact CA-OG 3.12Å; R47-S50 PolarHBondContact O-N 3.22Å; R47-S50 PolarHBondContact O-OG 3.45Å; S50-N54 PolarHBondContact O-N 3.44Å; S50-N54 PolarHBondContact O-ND2 2.95Å
51	D	41	Very low	41.8	Very low	91 Å²	91	124.3 Å²	124.3	49%	0.487	59%	0.592	S	S	.	*	H	α-helix	trans	-78	-31.6	178	-67.9	-18.9	0	0	0	111.4	R47 R48 T55	R47-D51 WeakPolarHBondContact O-CB 3.34Å; R47-D51 PolarHBondContact O-N 3.4Å; R48-D51 PolarHBondContact O-N 3.49Å; D51-T55 WeakPolarHBondContact O-CB 3.44Å; D51-T55 PolarHBondContact O-N 3.29Å; D51-T55 VanDerWaalsContact O-N 3.14Å; D51-T55 PolarHBondContact O-OG1 3.29Å
52	I	44.6	Very low	40.4	Very low	86 Å²	86	129 Å²	129	44%	0.441	61%	0.612	S	S	.	*	H	α-helix	trans	-72.4	-34	175.1	-69.1	165.9	0	0	0	111	R48 I56	R48-I52 HydrophobicContact CG-CD1 4.46Å; R48-I52 VanDerWaalsContact O-CB 3.3Å; R48-I52 WeakPolarHBondContact O-CB 3.37Å; R48-I52 WeakPolarHBondContact O-CD1 3.42Å; R48-I52 WeakPolarHBondContact O-CG1 3.43Å; R48-I52 PolarHBondContact O-N 2.88Å; I52-I56 HydrophobicContact CG2-CD1 3.59Å; I52-I56 WeakPolarHBondContact O-CD1 3.46Å; I52-I56 WeakPolarHBondContact O-CG1 3.4Å; I52-I56 PolarHBondContact O-N 2.74Å
53	H	39.7	Very low	39	Very low	141 Å²	141	137.8 Å²	137.8	65%	0.653	64%	0.639	S	S	*	*	H	α-helix	trans	-72.8	-32.5	173.6	-101.5	-65.5	0	0	0	114	D49	D49-H53 PolarHBondContact O-N 3.33Å
54	N	36.8	Very low	38	Very low	118 Å²	118	138.8 Å²	138.8	63%	0.631	65%	0.651	S	S	*	*	H	α-helix	trans	-82.9	-12.9	176.7	-76.2	-29.8	0	0	0	114.5	S50	S50-N54 PolarHBondContact O-N 3.44Å; S50-N54 PolarHBondContact O-ND2 2.95Å
55	T	38.7	Very low	37.3	Very low	81 Å²	81	141.7 Å²	141.7	50%	0.497	66%	0.661	S	S	.	*	H	α-helix	trans	-101.9	-9.6	-179.8	-38.2	0	0	0	0	113.3	D51	D51-T55 WeakPolarHBondContact O-CB 3.44Å; D51-T55 PolarHBondContact O-N 3.29Å; D51-T55 VanDerWaalsContact O-N 3.14Å; D51-T55 PolarHBondContact O-OG1 3.29Å
56	I	38	Very low	36.6	Very low	94 Å²	94	140 Å²	140	48%	0.482	66%	0.664	S	S	.	*	H	α-helix	trans	-90.6	-23.3	178.4	-70.6	173.2	0	0	0	112.4	I52	I52-I56 HydrophobicContact CG2-CD1 3.59Å; I52-I56 WeakPolarHBondContact O-CD1 3.46Å; I52-I56 WeakPolarHBondContact O-CG1 3.4Å; I52-I56 PolarHBondContact O-N 2.74Å
57	D	36.7	Very low	35.9	Very low	127 Å²	127	142.5 Å²	142.5	68%	0.679	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-9.9	176.7	-75.9	-27.8	0	0	0	114.8
58	N	34.6	Very low	35.3	Very low	148 Å²	148	142.6 Å²	142.6	79%	0.791	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	4.3	176.9	-78.3	-40.1	0	0	0	114.8
59	K	34.2	Very low	34.9	Very low	174 Å²	174	139.2 Å²	139.2	76%	0.757	68%	0.683	S	S	*	*	S	Bend	trans	-115.8	6.6	179.6	-91.4	-177.6	176.2	178.6	0	115.7
60	K	32.9	Very low	34.4	Very low	184 Å²	184	142.8 Å²	142.8	80%	0.8	70%	0.697	S	S	*	*	S	Bend	trans	-92.7	17.1	177.4	-97.5	-179.2	176.7	177.5	0	115.7
61	R	30.8	Very low	33.8	Very low	235 Å²	235	146.6 Å²	146.6	89%	0.887	71%	0.712	S	S	*	*	S	Bend	trans	-122.5	84.8	168.3	-71.3	-173.4	-158.6	169.7	6.7	110.3
62	K	28.9	Very low	33.3	Very low	180 Å²	180	147.4 Å²	147.4	78%	0.783	73%	0.725	S	S	*	*	S	Bend	trans	171.6	135.5	153.3	-99.4	164.3	-178.4	-177.1	0	108.2
63	Y	31.5	Very low	32.5	Very low	221 Å²	221	149.6 Å²	149.6	87%	0.867	74%	0.742	S	S	*	*			trans	93.8	71.8	174.1	-51.6	-72.3	0	0	0	116.8
64	E	28.9	Very low	32	Very low	190 Å²	190	147.8 Å²	147.8	89%	0.888	74%	0.743	S	S	*	*			trans	-90.4	127.2	135	-75.7	174.5	150.5	0	0	107.4
65	H	32.3	Very low	31.4	Very low	180 Å²	180	152.2 Å²	152.2	83%	0.833	75%	0.752	S	S	*	*				160.9	130.5	124.1	-121.2	-51.7	0	0	0	113.5
66	C	30.6	Very low	30.8	Very low	91 Å²	91	154.7 Å²	154.7	62%	0.615	76%	0.763	S	S	*	*			trans	81.5	102.7	148.9	-76	0	0	0	0	122.7
67	D	30.4	Very low	30.3	Very low	135 Å²	135	157.7 Å²	157.7	72%	0.722	78%	0.779	S	S	*	*				70.7	114.8	108.9	-56.1	-21.4	0	0	0	124.3
68	E	28.4	Very low	29.7	Very low	184 Å²	184	163.3 Å²	163.3	86%	0.86	79%	0.793	S	S	*	*				51.4	131.4	126.4	-64.9	-169.3	160.5	0	0	124.1
69	S	33.2	Very low	29.3	Very low	112 Å²	112	160.9 Å²	160.9	78%	0.783	79%	0.788	S	S	*	*			trans	135.3	103.3	143.3	60.3	0	0	0	0	110.3
70	E	29.7	Very low	28.9	Very low	174 Å²	174	158.3 Å²	158.3	81%	0.813	79%	0.792	S	S	*	*				106.8	123.3	76.2	-101.7	-164.6	170	0	0	112.5
71	I	28.5	Very low	28.6	Very low	133 Å²	133	158.5 Å²	158.5	68%	0.682	80%	0.795	S	S	*	*			trans	96.8	110.1	138.1	-63.3	165.6	0	0	0	121.1
72	S	30.1	Very low	28.4	Very low	108 Å²	108	155.3 Å²	155.3	76%	0.755	79%	0.79	S	S	*	*			trans	88	123.1	136.4	67.4	0	0	0	0	123.4
73	T	27.1	Very low	28.2	Very low	132 Å²	132	152.6 Å²	152.6	81%	0.81	79%	0.785	S	S	*	*			trans	-64.9	-174.8	170.8	58.4	0	0	0	0	114.5
74	P	30.8	Very low	28	Very low	102 Å²	102	149.1 Å²	149.1	66%	0.662	78%	0.78	S	S	*	*			cis	-143.2	-179.9	4.6	41.4	-20.8	0	0	0	117.4
75	Y	24.1	Very low	27.9	Very low	211 Å²	211	145.3 Å²	145.3	83%	0.827	77%	0.774	S	S	*	*			trans	80.3	130.9	156.4	-89	-83.7	0	0	0	121.7
76	N	24.9	Very low	27.8	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	75%	0.753	S	S	*	*			trans	70.2	97.8	162.5	-66.3	-17.5	0	0	0	117.5
77	N	27.9	Very low	27.7	Very low	156 Å²	156	138.5 Å²	138.5	83%	0.834	74%	0.742	S	S	*	*			trans	-148	122	138.7	-94.2	-31.7	0	0	0	111.4	S79	N77-S79 PolarHBondContact O-N 2.96Å
78	Y	24.5	Very low	27.9	Very low	245 Å²	245	134.6 Å²	134.6	96%	0.961	73%	0.725	S	S	*	*			trans	-46.4	115.2	149.2	-86.3	-105.1	0	0	0	108.5
79	S	26.6	Very low	28.3	Very low	98 Å²	98	131 Å²	131	69%	0.685	71%	0.711	S	S	*	*			trans	-131.6	113.5	164.4	48.6	0	0	0	0	109.4	N77 E81	N77-S79 PolarHBondContact O-N 2.96Å; S79-E81 PolarHBondContact O-N 3.31Å
80	S	26.1	Very low	28.2	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	70%	0.698	S	S	*	*			trans	-56.9	93	166.2	52	0	0	0	0	110.8
81	E	26.3	Very low	28.3	Very low	188 Å²	188	128.8 Å²	128.8	88%	0.879	69%	0.689	S	S	*	*			trans	-119.3	60.6	157.7	-76	-168.6	161.6	0	0	108.9	S79	S79-E81 PolarHBondContact O-N 3.31Å
82	Q	25.1	Very low	28.6	Very low	168 Å²	168	124 Å²	124	79%	0.785	67%	0.672	S	S	*	*			trans	-95	139.5	160.5	-73.7	-174.6	-15.3	0	0	108.4
83	N	25.7	Very low	28.7	Very low	123 Å²	123	120.9 Å²	120.9	66%	0.658	66%	0.657	S	S	*	*			trans	95.9	93	158.3	-49.1	-56	0	0	0	116.9
84	L	27.3	Very low	29.1	Very low	148 Å²	148	117 Å²	117	78%	0.775	63%	0.633	S	S	*	*	S	Bend	trans	-159.8	-3.9	140.7	-104.7	141.4	0	0	0	115.1
85	S	27.4	Very low	29.5	Very low	109 Å²	109	117.1 Å²	117.1	76%	0.762	63%	0.627	S	S	*	*	S	Bend	trans	-91.6	-12.3	178.1	53.8	0	0	0	0	115.2	L87	S85-L87 VanDerWaalsContact C-N 3.25Å; S85-L87 PolarHBondContact O-N 2.88Å
86	S	28.9	Very low	30.1	Very low	55 Å²	55	111.3 Å²	111.3	39%	0.385	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	8.9	-175.4	52.7	0	0	0	0	115.7
87	L	29.4	Very low	30.6	Very low	73 Å²	73	109 Å²	109	38%	0.382	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.4	22.5	-174.5	-95.7	148.5	0	0	0	114.7	S85 I89 L90 K91	S85-L87 VanDerWaalsContact C-N 3.25Å; S85-L87 PolarHBondContact O-N 2.88Å; L87-I89 PolarHBondContact O-N 3.45Å; L87-I89 VanDerWaalsContact O-N 3.14Å; L87-L90 HydrophobicContact CD2-CB 3.81Å; L87-L90 HydrophobicContact CD2-CD1 3.66Å; L87-L90 HydrophobicContact CD2-CG 4.35Å; L87-L90 PolarHBondContact O-N 3.1Å; L87-K91 WeakPolarHBondContact O-CG 3.08Å; L87-K91 PolarHBondContact O-N 3.02Å
88	S	33.2	Very low	31.2	Very low	54 Å²	54	104.3 Å²	104.3	38%	0.378	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.8	-22.5	176.4	58.9	0	0	0	0	113.4	K91	S88-K91 PolarHBondContact O-N 3.39Å
89	I	36.8	Very low	31.9	Very low	108 Å²	108	94.7 Å²	94.7	55%	0.554	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-22.8	-179.7	-65.6	173.3	0	0	0	113.3	L87 L739	L87-I89 PolarHBondContact O-N 3.45Å; L87-I89 VanDerWaalsContact O-N 3.14Å; I89-L739 HydrophobicContact CD1-CD1 3.26Å; I89-L739 HydrophobicContact CD1-CD2 3.73Å; I89-L739 HydrophobicContact CD1-CG 4.12Å
90	L	31.7	Very low	32.6	Very low	99 Å²	99	92.8 Å²	92.8	52%	0.518	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-6.9	173.3	-84.7	156.1	0	0	0	113.1	L87 G92 I96	L87-L90 HydrophobicContact CD2-CB 3.81Å; L87-L90 HydrophobicContact CD2-CD1 3.66Å; L87-L90 HydrophobicContact CD2-CG 4.35Å; L87-L90 PolarHBondContact O-N 3.1Å; L90-G92 VanDerWaalsContact C-N 3.28Å; L90-I96 HydrophobicContact CD2-CD1 4.47Å
91	K	32.7	Very low	33.3	Very low	141 Å²	141	89.6 Å²	89.6	61%	0.613	50%	0.495	S	S	*	.			trans	-81	-3.8	174	-77.6	-179.8	175	-174.8	0	113.8	L87 S88 G93	L87-K91 WeakPolarHBondContact O-CG 3.08Å; L87-K91 PolarHBondContact O-N 3.02Å; S88-K91 PolarHBondContact O-N 3.39Å; K91-G93 PolarHBondContact O-N 3.41Å
92	G	33.8	Very low	34.2	Very low	33 Å²	33	83.8 Å²	83.8	34%	0.34	48%	0.479	S	S	.	.			trans	-73.7	73.7	165.8	0	0	0	0	0	111.6	L90 V94 I95	L90-G92 VanDerWaalsContact C-N 3.28Å; G92-V94 PolarHBondContact O-N 2.99Å; G92-I95 PolarHBondContact O-N 3.43Å
93	G	32.2	Very low	34.9	Very low	42 Å²	42	78 Å²	78	43%	0.433	45%	0.454	S	S	.	.	H	α-helix	trans	-57.1	-9.9	-176.8	0	0	0	0	0	115.4	K91 I95 R97	K91-G93 PolarHBondContact O-N 3.41Å; G93-I95 PolarHBondContact O-N 2.87Å; G93-R97 WeakPolarHBondContact O-CB 3.37Å; G93-R97 PolarHBondContact O-N 3.41Å
94	V	36	Very low	35.7	Very low	50 Å²	50	78.4 Å²	78.4	30%	0.303	45%	0.446	S	S	.	.	H	α-helix	trans	-65.5	-37	-179.8	-169	0	0	0	0	112.7	G92 N98 Y263	G92-V94 PolarHBondContact O-N 2.99Å; V94-N98 VanDerWaalsContact O-CB 3.22Å; V94-N98 WeakPolarHBondContact O-CB 3.46Å; V94-N98 PolarHBondContact O-N 3.42Å; V94-N98 PolarHBondContact O-ND2 3.28Å; V94-N98 PolarHBondContact O-OD1 2.75Å; V94-Y263 HydrophobicContact CB-CE1 4.45Å; V94-Y263 HydrophobicContact CG1-CE1 4.39Å; V94-Y263 HydrophobicContact CG2-CD1 3.79Å; V94-Y263 HydrophobicContact CG2-CE1 3.3Å
95	I	39.8	Very low	36.5	Very low	104 Å²	104	74.9 Å²	74.9	53%	0.533	43%	0.428	S	S	.	.	H	α-helix	trans	-75.8	-42.8	-176.3	-58.8	174.5	0	0	0	110.7	G92 G93 G99	G92-I95 PolarHBondContact O-N 3.43Å; G93-I95 PolarHBondContact O-N 2.87Å; I95-G99 PolarHBondContact O-N 3.46Å; I95-G99 VanDerWaalsContact O-N 3.1Å
96	I	36.1	Very low	37.2	Very low	89 Å²	89	74.8 Å²	74.8	46%	0.456	42%	0.419	S	S	.	.	H	α-helix	trans	-68.5	-42.8	175.3	-63.4	174.4	0	0	0	109.5	L90 N98 G99 M100	L90-I96 HydrophobicContact CD2-CD1 4.47Å; I96-N98 PolarHBondContact O-N 3.22Å; I96-G99 PolarHBondContact O-N 2.9Å; I96-M100 HydrophobicContact CG2-CG 3.83Å; I96-M100 WeakPolarHBondContact O-CB 3.47Å; I96-M100 WeakPolarHBondContact O-CG 3.08Å; I96-M100 PolarHBondContact O-N 3.01Å
97	R	36	Very low	37.8	Very low	86 Å²	86	76.5 Å²	76.5	33%	0.325	42%	0.423	S	S	.	.	H	α-helix	trans	-64.1	-40.3	178.6	-167.4	175.8	96.8	152.5	5.6	112.7	G93 M100 N101 Y263	G93-R97 WeakPolarHBondContact O-CB 3.37Å; G93-R97 PolarHBondContact O-N 3.41Å; R97-M100 PolarHBondContact O-N 3.33Å; R97-N101 WeakPolarHBondContact O-CB 3.14Å; R97-N101 PolarHBondContact O-N 2.95Å; R97-Y263 PolarHBondContact NH2-OH 3.02Å; R97-Y263 VanDerWaalsContact NH2-OH 3.09Å
98	N	39.6	Very low	38.3	Very low	58 Å²	58	77 Å²	77	31%	0.31	42%	0.423	S	S	.	.	H	α-helix	trans	-71.2	-37	178.2	-70.4	-6.9	0	0	0	112.1	V94 I96 A102	V94-N98 VanDerWaalsContact O-CB 3.22Å; V94-N98 WeakPolarHBondContact O-CB 3.46Å; V94-N98 PolarHBondContact O-N 3.42Å; V94-N98 PolarHBondContact O-ND2 3.28Å; V94-N98 PolarHBondContact O-OD1 2.75Å; I96-N98 PolarHBondContact O-N 3.22Å; N98-A102 WeakPolarHBondContact O-CB 3.33Å; N98-A102 PolarHBondContact O-N 3.16Å; N98-A102 VanDerWaalsContact O-N 3.13Å
99	G	39.7	Very low	38.5	Very low	42 Å²	42	80.4 Å²	80.4	43%	0.433	43%	0.428	S	S	.	.	H	α-helix	trans	-65.5	-41.4	169.4	0	0	0	0	0	112.7	I95 I96 L103	I95-G99 PolarHBondContact O-N 3.46Å; I95-G99 VanDerWaalsContact O-N 3.1Å; I96-G99 PolarHBondContact O-N 2.9Å; G99-L103 WeakPolarHBondContact O-CB 3.08Å; G99-L103 PolarHBondContact O-N 3.4Å
100	M	41.6	Very low	38.6	Very low	58 Å²	58	80.5 Å²	80.5	29%	0.286	43%	0.434	S	S	.	.	H	α-helix	trans	-66.6	-41.9	178.3	-70.6	-107.7	80.7	0	0	111.9	F39 I96 R97 L103 Y104	F39-M100 HydrophobicContact CD1-CE 3.41Å; F39-M100 VanDerWaalsContact CD1-CE 3.41Å; F39-M100 HydrophobicContact CE1-CE 3.43Å; F39-M100 VanDerWaalsContact CE1-CE 3.43Å; I96-M100 HydrophobicContact CG2-CG 3.83Å; I96-M100 WeakPolarHBondContact O-CB 3.47Å; I96-M100 WeakPolarHBondContact O-CG 3.08Å; I96-M100 PolarHBondContact O-N 3.01Å; R97-M100 PolarHBondContact O-N 3.33Å; M100-L103 PolarHBondContact O-N 3.01Å; M100-Y104 WeakPolarHBondContact O-CA 3.23Å; M100-Y104 WeakPolarHBondContact O-CB 3.23Å; M100-Y104 PolarHBondContact O-N 3.24Å
101	N	40.6	Very low	39	Very low	53 Å²	53	84.2 Å²	84.2	28%	0.283	45%	0.446	S	S	.	.	H	α-helix	trans	-68.6	-41.7	177.5	-80.8	-6.6	0	0	0	111.5	R97 L103 Y104 N105	R97-N101 WeakPolarHBondContact O-CB 3.14Å; R97-N101 PolarHBondContact O-N 2.95Å; N101-L103 VanDerWaalsContact C-N 3.27Å; N101-L103 PolarHBondContact O-N 3.26Å; N101-Y104 PolarHBondContact O-N 3.41Å; N101-N105 WeakPolarHBondContact O-CB 3.48Å; N101-N105 VanDerWaalsContact O-CG 3.23Å; N101-N105 PolarHBondContact O-N 3.07Å; N101-N105 PolarHBondContact O-ND2 3.36Å
102	A	44.9	Very low	39.2	Very low	66 Å²	66	85.5 Å²	85.5	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-38.4	174.9	0	0	0	0	0	111.9	N98 L106	N98-A102 WeakPolarHBondContact O-CB 3.33Å; N98-A102 PolarHBondContact O-N 3.16Å; N98-A102 VanDerWaalsContact O-N 3.13Å; A102-L106 PolarHBondContact O-N 3.11Å
103	L	39.8	Very low	39.3	Very low	48 Å²	48	87.8 Å²	87.8	25%	0.251	45%	0.452	S	S	.	.	H	α-helix	trans	-81.8	-35.1	178.7	-163.3	96.3	0	0	0	113.4	F39 G99 M100 N101 N105 L106 I107	F39-L103 HydrophobicContact CD1-CD2 4.06Å; F39-L103 HydrophobicContact CD2-CD2 4.41Å; F39-L103 HydrophobicContact CE1-CD2 3.24Å; F39-L103 HydrophobicContact CE2-CD2 3.69Å; F39-L103 HydrophobicContact CZ-CD1 4.2Å; F39-L103 HydrophobicContact CZ-CD2 3.06Å; F39-L103 HydrophobicContact CZ-CG 4.19Å; G99-L103 WeakPolarHBondContact O-CB 3.08Å; G99-L103 PolarHBondContact O-N 3.4Å; M100-L103 PolarHBondContact O-N 3.01Å; N101-L103 VanDerWaalsContact C-N 3.27Å; N101-L103 PolarHBondContact O-N 3.26Å; L103-N105 VanDerWaalsContact C-N 3.28Å; L103-N105 PolarHBondContact O-N 2.9Å; L103-L106 WeakPolarHBondContact O-CB 2.96Å; L103-L106 PolarHBondContact O-N 3.28Å; L103-L106 VanDerWaalsContact O-N 3.1Å; L103-I107 HydrophobicContact CD2-CD1 3.61Å; L103-I107 HydrophobicContact CG-CD1 3.89Å; L103-I107 HydrophobicContact CG-CG1 4.34Å; L103-I107 WeakPolarHBondContact O-CG1 3.24Å; L103-I107 PolarHBondContact O-N 3.11Å
104	Y	42.8	Very low	39.4	Very low	130 Å²	130	93 Å²	93	51%	0.51	47%	0.47	S	S	.	.	H	α-helix	trans	-58.8	-46	173	177.7	-96.5	0	0	0	109.3	M100 N101 L106 I107 H108	M100-Y104 WeakPolarHBondContact O-CA 3.23Å; M100-Y104 WeakPolarHBondContact O-CB 3.23Å; M100-Y104 PolarHBondContact O-N 3.24Å; N101-Y104 PolarHBondContact O-N 3.41Å; Y104-L106 VanDerWaalsContact C-N 3.31Å; Y104-L106 PolarHBondContact O-N 3.04Å; Y104-I107 PolarHBondContact O-N 3.08Å; Y104-H108 AromaticContact CE2-CD2 3.79Å; Y104-H108 AromaticContact CZ-CD2 3.59Å; Y104-H108 WeakPolarHBondContact O-CB 3.38Å; Y104-H108 PolarHBondContact O-N 3.13Å; Y104-H108 PolarHBondContact OH-CD2 3.18Å
105	N	42.8	Very low	39.2	Very low	74 Å²	74	97 Å²	97	40%	0.396	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-35.9	174.2	-69.2	-13.9	0	0	0	112.1	N101 L103 Y109	N101-N105 WeakPolarHBondContact O-CB 3.48Å; N101-N105 VanDerWaalsContact O-CG 3.23Å; N101-N105 PolarHBondContact O-N 3.07Å; N101-N105 PolarHBondContact O-ND2 3.36Å; L103-N105 VanDerWaalsContact C-N 3.28Å; L103-N105 PolarHBondContact O-N 2.9Å; N105-Y109 WeakPolarHBondContact O-CB 3.4Å; N105-Y109 PolarHBondContact O-N 3.34Å
106	L	42.2	Very low	38.8	Very low	107 Å²	107	99 Å²	99	56%	0.56	50%	0.502	S	S	*	.	H	α-helix	trans	-66.9	-43.2	175.3	-158.1	88.9	0	0	0	112.5	A102 L103 Y104 V110	A102-L106 PolarHBondContact O-N 3.11Å; L103-L106 WeakPolarHBondContact O-CB 2.96Å; L103-L106 PolarHBondContact O-N 3.28Å; L103-L106 VanDerWaalsContact O-N 3.1Å; Y104-L106 VanDerWaalsContact C-N 3.31Å; Y104-L106 PolarHBondContact O-N 3.04Å; L106-V110 WeakPolarHBondContact O-CG2 3.24Å; L106-V110 PolarHBondContact O-N 3.1Å
107	I	41.3	Very low	38.5	Very low	91 Å²	91	102.4 Å²	102.4	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-76.2	-38.6	-176.6	-67.2	169.5	0	0	0	111.4	L103 Y104 Y109	L103-I107 HydrophobicContact CD2-CD1 3.61Å; L103-I107 HydrophobicContact CG-CD1 3.89Å; L103-I107 HydrophobicContact CG-CG1 4.34Å; L103-I107 WeakPolarHBondContact O-CG1 3.24Å; L103-I107 PolarHBondContact O-N 3.11Å; Y104-I107 PolarHBondContact O-N 3.08Å; I107-Y109 VanDerWaalsContact C-N 3.28Å; I107-Y109 PolarHBondContact O-N 3.33Å
108	H	40	Very low	38.3	Very low	85 Å²	85	104.2 Å²	104.2	39%	0.394	54%	0.541	S	S	.	.	H	α-helix	trans	-71.8	-25.9	178.3	-129.3	-83.3	0	0	0	112.2	Y104 K111	Y104-H108 AromaticContact CE2-CD2 3.79Å; Y104-H108 AromaticContact CZ-CD2 3.59Å; Y104-H108 WeakPolarHBondContact O-CB 3.38Å; Y104-H108 PolarHBondContact O-N 3.13Å; Y104-H108 PolarHBondContact OH-CD2 3.18Å; H108-K111 PolarHBondContact O-N 3.36Å
109	Y	38.7	Very low	37.8	Very low	124 Å²	124	106.4 Å²	106.4	49%	0.486	57%	0.568	S	S	.	*	H	α-helix	trans	-74.6	-35.2	176.4	-170.5	-104.3	0	0	0	112.9	N105 I107 K111 Y112 N113	N105-Y109 WeakPolarHBondContact O-CB 3.4Å; N105-Y109 PolarHBondContact O-N 3.34Å; I107-Y109 VanDerWaalsContact C-N 3.28Å; I107-Y109 PolarHBondContact O-N 3.33Å; Y109-K111 PolarHBondContact O-N 2.64Å; Y109-Y112 PolarHBondContact O-N 3.26Å; Y109-N113 WeakPolarHBondContact CE1-ND2 3.41Å; Y109-N113 VanDerWaalsContact CZ-ND2 3.29Å; Y109-N113 PolarHBondContact OH-ND2 3.39Å
110	V	39	Very low	37.3	Very low	111 Å²	111	111.2 Å²	111.2	67%	0.673	59%	0.589	S	S	*	*	H	α-helix	trans	-69	-19.3	175.2	175.3	0	0	0	0	112.2	L106	L106-V110 WeakPolarHBondContact O-CG2 3.24Å; L106-V110 PolarHBondContact O-N 3.1Å
111	K	38.6	Very low	36.7	Very low	177 Å²	177	112.3 Å²	112.3	77%	0.77	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-3.9	-178.5	-145	-179.1	-178.9	-173.8	0	114.8	H108 Y109	H108-K111 PolarHBondContact O-N 3.36Å; Y109-K111 PolarHBondContact O-N 2.64Å
112	Y	36.7	Very low	36.2	Very low	167 Å²	167	116.9 Å²	116.9	66%	0.655	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-1.1	-177.7	-100.6	-82.6	0	0	0	114.1	Y109	Y109-Y112 PolarHBondContact O-N 3.26Å
113	N	36.4	Very low	35.4	Very low	81 Å²	81	119 Å²	119	43%	0.433	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	14.8	178.6	-78.9	-9.6	0	0	0	113.7	Y109	Y109-N113 WeakPolarHBondContact CE1-ND2 3.41Å; Y109-N113 VanDerWaalsContact CZ-ND2 3.29Å; Y109-N113 PolarHBondContact OH-ND2 3.39Å
114	D	34.7	Very low	34.8	Very low	151 Å²	151	122.3 Å²	122.3	81%	0.807	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	2.5	169.8	-85.3	-25.4	0	0	0	113
115	D	32	Very low	34.2	Very low	135 Å²	135	122.7 Å²	122.7	72%	0.722	69%	0.685	S	S	*	*			trans	-114.5	62.2	175.6	-73.7	-36.8	0	0	0	111.6	N117	D115-N117 PolarHBondContact O-N 3.07Å
116	D	30.7	Very low	33.5	Very low	145 Å²	145	123 Å²	123	78%	0.775	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	87	166.1	-85.9	-28.9	0	0	0	109.6
117	N	31.5	Very low	32.9	Very low	161 Å²	161	124.8 Å²	124.8	86%	0.861	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.2	5	162.4	-94	-34.4	0	0	0	117.9	D115	D115-N117 PolarHBondContact O-N 3.07Å
118	V	31.8	Very low	32.3	Very low	124 Å²	124	128 Å²	128	75%	0.752	73%	0.727	S	S	*	*			trans	-110.8	-1.1	-167.4	-174.1	0	0	0	0	115.5	T120	V118-T120 PolarHBondContact O-N 3.39Å
119	A	28.9	Very low	31.9	Very low	105 Å²	105	129.8 Å²	129.8	87%	0.868	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	6.8	-170.5	0	0	0	0	0	116.9
120	T	29.2	Very low	31.5	Very low	143 Å²	143	129.5 Å²	129.5	88%	0.877	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	10.7	-170.1	-34.1	0	0	0	0	115	V118	V118-T120 PolarHBondContact O-N 3.39Å
121	A	27.8	Very low	30.9	Very low	81 Å²	81	129.1 Å²	129.1	67%	0.669	76%	0.757	S	S	*	*			trans	-117	9.1	-165.7	0	0	0	0	0	118
122	V	30.1	Very low	30.4	Very low	148 Å²	148	126.7 Å²	126.7	90%	0.897	76%	0.757	S	S	*	*	S	Bend	trans	-111.1	22.4	-171.2	-164.1	0	0	0	0	114.1
123	S	27.6	Very low	30.3	Very low	110 Å²	110	125.4 Å²	125.4	77%	0.769	76%	0.761	S	S	*	*	S	Bend	trans	-105	-1.6	-178.5	-178.3	0	0	0	0	115.5
124	T	27.5	Very low	29.9	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.724	78%	0.778	S	S	*	*			trans	-152.7	96.6	-174.6	50.6	0	0	0	0	109.8
125	V	31.2	Very low	29.7	Very low	138 Å²	138	132.4 Å²	132.4	84%	0.836	78%	0.779	S	S	*	*			trans	-177.4	87.7	138.3	174.8	0	0	0	0	104.4
126	A	28.3	Very low	29.7	Very low	81 Å²	81	129.6 Å²	129.6	67%	0.669	77%	0.77	S	S	*	*			trans	-75.2	153	146.6	0	0	0	0	0	107.2
127	D	28.5	Very low	29.7	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	76%	0.764	S	S	*	*			trans	100.2	121.1	168.3	-51.6	-25.5	0	0	0	116.7
128	D	29	Very low	29.5	Very low	159 Å²	159	128.5 Å²	128.5	85%	0.85	75%	0.753	S	S	*	*			trans	95.8	129.9	159.4	-75.5	-21.9	0	0	0	122
129	V	32.8	Very low	29.6	Very low	123 Å²	123	125.2 Å²	125.2	75%	0.745	73%	0.731	S	S	*	*			trans	96.2	76.2	158.3	-158.2	0	0	0	0	118.1
130	T	29.6	Very low	30	Very low	118 Å²	118	127.9 Å²	127.9	72%	0.724	72%	0.723	S	S	*	*				40.1	117.8	123.1	53.5	0	0	0	0	121.2
131	S	26.7	Very low	30.4	Very low	102 Å²	102	124.5 Å²	124.5	71%	0.713	70%	0.703	S	S	*	*				86.4	126.5	129.2	73.7	0	0	0	0	119.5
132	T	28.1	Very low	31.7	Very low	126 Å²	126	123.8 Å²	123.8	77%	0.773	69%	0.69	S	S	*	*	S	Bend	trans	78	71.8	162.6	62.1	0	0	0	0	118.3
133	N	33.9	Very low	32.9	Very low	140 Å²	140	120.1 Å²	120.1	75%	0.749	66%	0.66	S	S	*	*			trans	179.5	9	144.3	-96.6	-22.7	0	0	0	116.8	Y135	N133-Y135 VanDerWaalsContact C-N 3.33Å; N133-Y135 PolarHBondContact O-N 2.87Å; N133-Y135 VanDerWaalsContact O-N 3.12Å
134	Q	28.5	Very low	34.5	Very low	166 Å²	166	117.4 Å²	117.4	78%	0.776	64%	0.641	S	S	*	*	H	α-helix	trans	-67.3	-13.5	-168.5	-79.7	177.8	-30.2	0	0	117.7
135	Y	29.4	Very low	36.6	Very low	214 Å²	214	116.5 Å²	116.5	84%	0.839	63%	0.632	S	S	*	*	H	α-helix	trans	-77.7	-24.6	-177.9	-83.1	-83.4	0	0	0	114.4	N133	N133-Y135 VanDerWaalsContact C-N 3.33Å; N133-Y135 PolarHBondContact O-N 2.87Å; N133-Y135 VanDerWaalsContact O-N 3.12Å
136	S	31.9	Very low	39	Very low	76 Å²	76	112.7 Å²	112.7	53%	0.531	61%	0.605	S	S	.	*	H	α-helix	trans	-85.3	-25	-178.9	79	0	0	0	0	113.8
137	E	30.9	Very low	41.7	Very low	140 Å²	140	109.1 Å²	109.1	65%	0.654	57%	0.574	S	S	*	*	H	α-helix	trans	-81.9	-32.9	177.6	-91.3	179.9	150.4	0	0	112.8	K140 T141	E137-K140 PolarHBondContact O-N 3.2Å; E137-T141 PolarHBondContact O-N 3.16Å; E137-T141 PolarHBondContact O-OG1 3.2Å
138	F	28	Very low	44.3	Very low	143 Å²	143	104.1 Å²	104.1	63%	0.627	55%	0.551	S	S	*	*	H	α-helix	trans	-68.4	-33.7	179.5	-156.8	-93.8	0	0	0	113.1	T141 T142	F138-T141 WeakPolarHBondContact CA-OG1 3.42Å; F138-T141 PolarHBondContact O-OG1 3.34Å; F138-T142 HydrophobicContact CD1-CG2 4.46Å; F138-T142 HydrophobicContact CE1-CG2 4.32Å; F138-T142 WeakPolarHBondContact O-CG2 3.38Å; F138-T142 PolarHBondContact O-N 2.92Å; F138-T142 PolarHBondContact O-OG1 3.26Å
139	N	34.7	Very low	47.2	Very low	55 Å²	55	99.3 Å²	99.3	29%	0.294	52%	0.522	S	S	.	.	H	α-helix	trans	-76.7	-25.7	176.3	-79.1	-0.4	0	0	0	113.4	T142 R143 L251	N139-T142 WeakPolarHBondContact CA-OG1 3.42Å; N139-T142 PolarHBondContact O-OG1 3.14Å; N139-R143 PolarHBondContact O-N 3.43Å; N139-L251 PolarHBondContact ND2-O 3.28Å
140	K	36.3	Very low	49.9	Very low	161 Å²	161	93.5 Å²	93.5	70%	0.7	49%	0.487	S	S	*	.	H	α-helix	trans	-76.8	-36.4	175.1	-81.8	-179.8	178.2	172.6	0	112.2	E137 S144	E137-K140 PolarHBondContact O-N 3.2Å; K140-S144 PolarHBondContact O-N 3.47Å
141	T	36.9	Very low	52.6	Low	72 Å²	72	89 Å²	89	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-64.8	-53.4	176.2	23.8	0	0	0	0	110.5	E137 F138 R143 S144 D145	E137-T141 PolarHBondContact O-N 3.16Å; E137-T141 PolarHBondContact O-OG1 3.2Å; F138-T141 WeakPolarHBondContact CA-OG1 3.42Å; F138-T141 PolarHBondContact O-OG1 3.34Å; T141-R143 VanDerWaalsContact C-N 3.31Å; T141-R143 PolarHBondContact O-N 2.88Å; T141-S144 PolarHBondContact O-N 3.03Å; T141-S144 VanDerWaalsContact O-N 3.08Å; T141-D145 PolarHBondContact O-N 2.95Å; T141-D145 VanDerWaalsContact O-OD2 3.11Å
142	T	55.3	Low	55.5	Low	65 Å²	65	88.7 Å²	88.7	40%	0.399	44%	0.444	S	S	.	.	H	α-helix	trans	-56.7	-38.3	179.1	46	0	0	0	0	114.2	F138 N139 D145 E146	F138-T142 HydrophobicContact CD1-CG2 4.46Å; F138-T142 HydrophobicContact CE1-CG2 4.32Å; F138-T142 WeakPolarHBondContact O-CG2 3.38Å; F138-T142 PolarHBondContact O-N 2.92Å; F138-T142 PolarHBondContact O-OG1 3.26Å; N139-T142 WeakPolarHBondContact CA-OG1 3.42Å; N139-T142 PolarHBondContact O-OG1 3.14Å; T142-D145 PolarHBondContact O-N 3.46Å; T142-E146 PolarHBondContact O-N 3Å; T142-E146 VanDerWaalsContact O-N 3.15Å
143	R	55.1	Low	58.4	Low	71 Å²	71	83.3 Å²	83.3	27%	0.268	41%	0.411	S	S	.	.	H	α-helix	trans	-71.1	-38.1	177.1	-172.5	173.8	178.3	169.2	-1.7	113.3	N139 T141 D145 L147	N139-R143 PolarHBondContact O-N 3.43Å; T141-R143 VanDerWaalsContact C-N 3.31Å; T141-R143 PolarHBondContact O-N 2.88Å; R143-D145 VanDerWaalsContact C-N 3.29Å; R143-L147 PolarHBondContact O-N 3.33Å
144	S	61.3	Low	60.9	Low	54 Å²	54	76.7 Å²	76.7	38%	0.378	38%	0.375	S	S	.	.	H	α-helix	trans	-66.6	-36.3	174.3	-172.7	0	0	0	0	111	K140 T141 S148	K140-S144 PolarHBondContact O-N 3.47Å; T141-S144 PolarHBondContact O-N 3.03Å; T141-S144 VanDerWaalsContact O-N 3.08Å; S144-S148 VanDerWaalsContact O-CB 3.27Å; S144-S148 WeakPolarHBondContact O-CB 3.5Å; S144-S148 PolarHBondContact O-N 3.32Å; S144-S148 PolarHBondContact O-OG 2.94Å
145	D	72.1	Confident	63.6	Low	98 Å²	98	70.2 Å²	70.2	52%	0.524	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-40.9	179.1	-62.2	-24.2	0	0	0	111.5	T141 T142 R143 S148 F149	T141-D145 PolarHBondContact O-N 2.95Å; T141-D145 VanDerWaalsContact O-OD2 3.11Å; T142-D145 PolarHBondContact O-N 3.46Å; R143-D145 VanDerWaalsContact C-N 3.29Å; D145-S148 PolarHBondContact O-N 3.13Å; D145-F149 WeakPolarHBondContact O-CB 3.41Å; D145-F149 PolarHBondContact O-N 3.1Å
146	E	82.5	Confident	66.3	Low	58 Å²	58	64.4 Å²	64.4	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-67.5	-43.3	178.2	-176.7	167.3	-126.6	0	0	113.1	T142 S148 F149 F150 R215	T142-E146 PolarHBondContact O-N 3Å; T142-E146 VanDerWaalsContact O-N 3.15Å; E146-S148 VanDerWaalsContact C-N 3.32Å; E146-S148 PolarHBondContact O-N 2.94Å; E146-F149 WeakPolarHBondContact O-CB 3.27Å; E146-F149 PolarHBondContact O-N 3.29Å; E146-F150 HydrophobicContact CG-CD2 3.96Å; E146-F150 HydrophobicContact CG-CE2 3.48Å; E146-F150 VanDerWaalsContact CG-CE2 3.48Å; E146-F150 HydrophobicContact CG-CZ 4.34Å; E146-F150 VanDerWaalsContact O-CD2 3.25Å; E146-F150 WeakPolarHBondContact O-CD2 3.45Å; E146-F150 PolarHBondContact O-N 3.36Å; E146-R215 IonicContact OE1-NE 3.83Å; E146-R215 IonicContact OE1-NH2 2.65Å
147	L	85.3	Confident	68.9	Low	7 Å²	7	61.9 Å²	61.9	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-37.9	175.6	-65.7	173.6	0	0	0	111.4	R143 F149 F150 Y151 F179 P183 T186 T187 I190 W219	R143-L147 PolarHBondContact O-N 3.33Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F150 PolarHBondContact O-N 3.04Å; L147-Y151 WeakPolarHBondContact O-CB 3.35Å; L147-Y151 PolarHBondContact O-N 3.05Å; L147-F179 HydrophobicContact CB-CE1 4.18Å; L147-P183 HydrophobicContact CD1-CB 3.87Å; L147-T186 HydrophobicContact CB-CG2 3.83Å; L147-T186 HydrophobicContact CD1-CG2 3.86Å; L147-T186 HydrophobicContact CG-CG2 4.34Å; L147-T187 WeakPolarHBondContact CD2-OG1 3.34Å; L147-I190 HydrophobicContact CB-CD1 3.96Å; L147-I190 HydrophobicContact CD2-CD1 3.91Å; L147-I190 VanDerWaalsContact O-CD1 3.28Å; L147-I190 WeakPolarHBondContact O-CD1 3.38Å; L147-W219 HydrophobicContact CD2-CZ2 3.74Å
148	S	82.5	Confident	71.3	Confident	39 Å²	39	55.9 Å²	55.9	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-40.9	174.1	-59.8	0	0	0	0	111.5	S144 D145 E146 Y151 Q152	S144-S148 VanDerWaalsContact O-CB 3.27Å; S144-S148 WeakPolarHBondContact O-CB 3.5Å; S144-S148 PolarHBondContact O-N 3.32Å; S144-S148 PolarHBondContact O-OG 2.94Å; D145-S148 PolarHBondContact O-N 3.13Å; E146-S148 VanDerWaalsContact C-N 3.32Å; E146-S148 PolarHBondContact O-N 2.94Å; S148-Y151 PolarHBondContact O-N 3.45Å; S148-Q152 WeakPolarHBondContact O-CB 3.48Å; S148-Q152 PolarHBondContact O-N 2.93Å
149	F	88.8	Confident	73.5	Confident	58 Å²	58	52.1 Å²	52.1	25%	0.254	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-50.8	174.2	168.9	-93.2	0	0	0	112.2	D145 E146 L147 Y151 Q152 M153 N212	D145-F149 WeakPolarHBondContact O-CB 3.41Å; D145-F149 PolarHBondContact O-N 3.1Å; E146-F149 WeakPolarHBondContact O-CB 3.27Å; E146-F149 PolarHBondContact O-N 3.29Å; L147-F149 VanDerWaalsContact C-N 3.31Å; F149-Y151 VanDerWaalsContact C-N 3.33Å; F149-Y151 PolarHBondContact O-N 2.64Å; F149-Q152 PolarHBondContact O-N 3.23Å; F149-M153 WeakPolarHBondContact O-CB 3.42Å; F149-M153 PolarHBondContact O-N 3.34Å; F149-N212 HydrophobicContact CE1-CB 4.32Å; F149-N212 HydrophobicContact CZ-CB 3.91Å; F149-N212 VanDerWaalsContact CZ-CG 3.45Å
150	F	90.4	Very high	75	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-38.2	178.8	-71.5	-54.2	0	0	0	112.6	E146 L147 M153 I154 I190 R215 L216 W219	E146-F150 HydrophobicContact CG-CD2 3.96Å; E146-F150 HydrophobicContact CG-CE2 3.48Å; E146-F150 VanDerWaalsContact CG-CE2 3.48Å; E146-F150 HydrophobicContact CG-CZ 4.34Å; E146-F150 VanDerWaalsContact O-CD2 3.25Å; E146-F150 WeakPolarHBondContact O-CD2 3.45Å; E146-F150 PolarHBondContact O-N 3.36Å; L147-F150 PolarHBondContact O-N 3.04Å; F150-M153 HydrophobicContact CD1-CE 3.93Å; F150-M153 HydrophobicContact CD1-SD 4.34Å; F150-M153 PolarHBondContact O-N 3.33Å; F150-I154 WeakPolarHBondContact O-CD1 3.48Å; F150-I154 VanDerWaalsContact O-CG1 3.22Å; F150-I154 WeakPolarHBondContact O-CG1 3.32Å; F150-I154 PolarHBondContact O-N 3.31Å; F150-I190 HydrophobicContact CB-CD1 4.45Å; F150-I190 HydrophobicContact CB-CG2 4.35Å; F150-R215 HydrophobicContact CE1-CG 4.35Å; F150-R215 HydrophobicContact CZ-CG 4.16Å; F150-L216 HydrophobicContact CD1-CB 4.44Å; F150-L216 HydrophobicContact CD1-CD1 3.88Å; F150-L216 HydrophobicContact CE1-CB 3.96Å; F150-L216 HydrophobicContact CE1-CD1 4Å; F150-W219 AromaticContact CD2-CD2 3.98Å; F150-W219 HydrophobicContact CD2-CD2 3.98Å; F150-W219 HydrophobicContact CD2-CE3 4.33Å; F150-W219 HydrophobicContact CD2-CG 4.17Å; F150-W219 HydrophobicContact CE2-CB 3.65Å; F150-W219 AromaticContact CE2-CD1 3.57Å; F150-W219 AromaticContact CE2-CD2 3.6Å; F150-W219 HydrophobicContact CE2-CD2 3.6Å; F150-W219 HydrophobicContact CE2-CE3 4.2Å; F150-W219 AromaticContact CE2-CG 3.32Å; F150-W219 HydrophobicContact CE2-CG 3.32Å; F150-W219 AromaticContact CE2-NE1 3.97Å; F150-W219 HydrophobicContact CZ-CB 3.51Å; F150-W219 HydrophobicContact CZ-CD2 4.21Å; F150-W219 AromaticContact CZ-CG 3.75Å; F150-W219 HydrophobicContact CZ-CG 3.75Å
151	Y	86.8	Confident	76.5	Confident	23 Å²	23	45.2 Å²	45.2	9%	0.09	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-45.6	174	176.8	-104.4	0	0	0	111.8	L147 S148 F149 I154 C155 F179 Y189 L193	L147-Y151 WeakPolarHBondContact O-CB 3.35Å; L147-Y151 PolarHBondContact O-N 3.05Å; S148-Y151 PolarHBondContact O-N 3.45Å; F149-Y151 VanDerWaalsContact C-N 3.33Å; F149-Y151 PolarHBondContact O-N 2.64Å; Y151-I154 PolarHBondContact O-N 3.31Å; Y151-C155 VanDerWaalsContact CZ-SG 3.59Å; Y151-C155 PolarHBondContact O-N 2.79Å; Y151-C155 PolarHBondContact O-SG 3.01Å; Y151-F179 HydrophobicContact CD1-CE2 4.12Å; Y151-F179 HydrophobicContact CD1-CZ 4.24Å; Y151-F179 HydrophobicContact CG-CE2 4.44Å; Y151-F179 HydrophobicContact CG-CZ 4.14Å; Y151-Y189 HydrophobicContact CD2-CE1 4.14Å; Y151-Y189 AromaticContact CE2-CE1 3.7Å; Y151-Y189 HydrophobicContact CE2-CE1 3.7Å; Y151-L193 HydrophobicContact CD2-CD1 3.91Å; Y151-L193 HydrophobicContact CE2-CD1 3.81Å
152	Q	86.1	Confident	77.4	Confident	97 Å²	97	43.8 Å²	43.8	45%	0.453	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-45.8	177.8	-174.3	56.3	41.5	0	0	111.3	S148 F149 I154 C155 D156	S148-Q152 WeakPolarHBondContact O-CB 3.48Å; S148-Q152 PolarHBondContact O-N 2.93Å; F149-Q152 PolarHBondContact O-N 3.23Å; Q152-I154 PolarHBondContact O-N 2.82Å; Q152-C155 WeakPolarHBondContact O-CB 3.25Å; Q152-C155 PolarHBondContact O-N 2.92Å; Q152-C155 VanDerWaalsContact O-N 3.1Å; Q152-D156 VanDerWaalsContact NE2-CG 3.26Å; Q152-D156 PolarHBondContact NE2-OD1 2.93Å; Q152-D156 PolarHBondContact NE2-OD2 3.37Å; Q152-D156 VanDerWaalsContact O-CG 3.3Å; Q152-D156 PolarHBondContact O-N 2.96Å
153	M	89.2	Confident	77.2	Confident	13 Å²	13	46.2 Å²	46.2	6%	0.064	27%	0.272	C	S	.	.	H	α-helix	trans	-54.7	-48.5	175.2	-179.1	-168	77.1	0	0	112.1	F149 F150 C155 D156 L157 N212 L216	F149-M153 WeakPolarHBondContact O-CB 3.42Å; F149-M153 PolarHBondContact O-N 3.34Å; F150-M153 HydrophobicContact CD1-CE 3.93Å; F150-M153 HydrophobicContact CD1-SD 4.34Å; F150-M153 PolarHBondContact O-N 3.33Å; M153-C155 VanDerWaalsContact C-N 3.32Å; M153-C155 PolarHBondContact O-N 3.08Å; M153-D156 PolarHBondContact O-N 2.94Å; M153-L157 HydrophobicContact CG-CD1 4.18Å; M153-L157 VanDerWaalsContact O-CG 3.31Å; M153-L157 WeakPolarHBondContact O-CG 3.28Å; M153-L157 PolarHBondContact O-N 2.71Å; M153-N212 HydrophobicContact SD-CB 3.73Å; M153-L216 HydrophobicContact CE-CB 4.17Å; M153-L216 HydrophobicContact CE-CD1 4.12Å; M153-L216 HydrophobicContact CE-CD2 3.88Å; M153-L216 HydrophobicContact CE-CG 4.26Å
154	I	87.5	Confident	76.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-41.8	177.5	-66.5	161.1	0	0	0	111	F150 Y151 Q152 D156 S158 I190 L193 L194 Y197	F150-I154 WeakPolarHBondContact O-CD1 3.48Å; F150-I154 VanDerWaalsContact O-CG1 3.22Å; F150-I154 WeakPolarHBondContact O-CG1 3.32Å; F150-I154 PolarHBondContact O-N 3.31Å; Y151-I154 PolarHBondContact O-N 3.31Å; Q152-I154 PolarHBondContact O-N 2.82Å; I154-D156 VanDerWaalsContact C-N 3.35Å; I154-S158 VanDerWaalsContact O-CB 3.31Å; I154-S158 WeakPolarHBondContact O-CB 3.42Å; I154-S158 PolarHBondContact O-N 3.41Å; I154-S158 PolarHBondContact O-OG 3.49Å; I154-I190 HydrophobicContact CD1-CG2 3.74Å; I154-L193 HydrophobicContact CG2-CB 4.19Å; I154-L194 HydrophobicContact CD1-CD1 4.33Å; I154-L194 HydrophobicContact CD1-CD2 3.65Å; I154-L194 HydrophobicContact CD1-CG 3.63Å; I154-L194 HydrophobicContact CG1-CD2 3.69Å; I154-L194 HydrophobicContact CG1-CG 4.24Å; I154-Y197 HydrophobicContact CG2-CD2 3.67Å; I154-Y197 HydrophobicContact CG2-CE2 3.82Å
155	C	85.1	Confident	75.3	Confident	31 Å²	31	49 Å²	49	21%	0.209	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-42.6	178.2	-69	0	0	0	0	111.5	Y151 Q152 M153 S158 A159	Y151-C155 VanDerWaalsContact CZ-SG 3.59Å; Y151-C155 PolarHBondContact O-N 2.79Å; Y151-C155 PolarHBondContact O-SG 3.01Å; Q152-C155 WeakPolarHBondContact O-CB 3.25Å; Q152-C155 PolarHBondContact O-N 2.92Å; Q152-C155 VanDerWaalsContact O-N 3.1Å; M153-C155 VanDerWaalsContact C-N 3.32Å; M153-C155 PolarHBondContact O-N 3.08Å; C155-S158 WeakPolarHBondContact CA-OG 3.46Å; C155-S158 PolarHBondContact O-N 2.98Å; C155-S158 PolarHBondContact O-OG 2.86Å; C155-A159 PolarHBondContact O-N 2.92Å
156	D	85.6	Confident	73.8	Confident	91 Å²	91	49.9 Å²	49.9	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-67.6	-43.5	-179.7	-67.1	-28.3	0	0	0	111.6	Q152 M153 I154 S158 A159	Q152-D156 VanDerWaalsContact NE2-CG 3.26Å; Q152-D156 PolarHBondContact NE2-OD1 2.93Å; Q152-D156 PolarHBondContact NE2-OD2 3.37Å; Q152-D156 VanDerWaalsContact O-CG 3.3Å; Q152-D156 PolarHBondContact O-N 2.96Å; M153-D156 PolarHBondContact O-N 2.94Å; I154-D156 VanDerWaalsContact C-N 3.35Å; D156-S158 VanDerWaalsContact C-N 3.3Å; D156-S158 PolarHBondContact O-N 3.26Å; D156-A159 WeakPolarHBondContact O-CB 3.18Å; D156-A159 PolarHBondContact O-N 3.44Å
157	L	86.4	Confident	71.7	Confident	24 Å²	24	50 Å²	50	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-39	172.9	-69	172.1	0	0	0	112	M153 A159 Y203 H206 L207 C210	M153-L157 HydrophobicContact CG-CD1 4.18Å; M153-L157 VanDerWaalsContact O-CG 3.31Å; M153-L157 WeakPolarHBondContact O-CG 3.28Å; M153-L157 PolarHBondContact O-N 2.71Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.29Å; L157-Y203 HydrophobicContact CB-CD2 4.32Å; L157-Y203 HydrophobicContact CB-CE2 3.67Å; L157-Y203 HydrophobicContact CD1-CE2 4.43Å; L157-H206 HydrophobicContact CD2-CB 4.02Å; L157-L207 HydrophobicContact CD1-CD1 3.91Å; L157-C210 HydrophobicContact CD2-CB 4.17Å
158	S	80.7	Confident	69.1	Low	14 Å²	14	58.7 Å²	58.7	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-72	-26.4	179.8	75.7	0	0	0	0	113.7	I154 C155 D156 G160 I161 T162	I154-S158 VanDerWaalsContact O-CB 3.31Å; I154-S158 WeakPolarHBondContact O-CB 3.42Å; I154-S158 PolarHBondContact O-N 3.41Å; I154-S158 PolarHBondContact O-OG 3.49Å; C155-S158 WeakPolarHBondContact CA-OG 3.46Å; C155-S158 PolarHBondContact O-N 2.98Å; C155-S158 PolarHBondContact O-OG 2.86Å; D156-S158 VanDerWaalsContact C-N 3.3Å; D156-S158 PolarHBondContact O-N 3.26Å; S158-G160 VanDerWaalsContact C-N 3.27Å; S158-G160 PolarHBondContact O-N 3.08Å; S158-I161 PolarHBondContact O-N 3.21Å; S158-T162 PolarHBondContact O-OG1 2.97Å
159	A	75.2	Confident	66.8	Low	64 Å²	64	61.1 Å²	61.1	53%	0.529	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-31.2	-179.8	0	0	0	0	0	112	C155 D156 L157 I161	C155-A159 PolarHBondContact O-N 2.92Å; D156-A159 WeakPolarHBondContact O-CB 3.18Å; D156-A159 PolarHBondContact O-N 3.44Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.29Å; A159-I161 VanDerWaalsContact C-N 3.25Å; A159-I161 PolarHBondContact O-N 3.03Å
160	G	65.2	Low	64.2	Low	60 Å²	60	60.4 Å²	60.4	62%	0.619	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.3	177.9	0	0	0	0	0	115	S158	S158-G160 VanDerWaalsContact C-N 3.27Å; S158-G160 PolarHBondContact O-N 3.08Å
161	I	67.7	Low	61.5	Low	10 Å²	10	69.7 Å²	69.7	5%	0.051	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-20.6	-170.8	-53.9	166.9	0	0	0	111.8	S158 A159 R202 Y203	S158-I161 PolarHBondContact O-N 3.21Å; A159-I161 VanDerWaalsContact C-N 3.25Å; A159-I161 PolarHBondContact O-N 3.03Å; I161-R202 HydrophobicContact CG2-CB 4.37Å; I161-Y203 HydrophobicContact CD1-CD2 3.65Å; I161-Y203 HydrophobicContact CD1-CG 3.99Å
162	T	57.2	Low	59.1	Low	43 Å²	43	75.8 Å²	75.8	26%	0.264	40%	0.402	S	S	.	.			trans	-99.1	98.5	-170.5	51.5	0	0	0	0	111.2	S158 S164 L450	S158-T162 PolarHBondContact O-OG1 2.97Å; T162-S164 VanDerWaalsContact C-N 3.29Å; T162-S164 PolarHBondContact O-N 3.02Å; T162-L450 HydrophobicContact CG2-CD2 3.93Å
163	T	50.4	Low	56.6	Low	116 Å²	116	78.6 Å²	78.6	71%	0.712	41%	0.409	S	S	*	.			trans	-79.3	-1.8	179.1	51.1	0	0	0	0	114.4
164	S	40.1	Very low	54.2	Low	42 Å²	42	80.4 Å²	80.4	29%	0.294	42%	0.423	S	S	.	.			trans	-107.2	129.3	-175.3	74.9	0	0	0	0	114	T162 I166 Y167	T162-S164 VanDerWaalsContact C-N 3.29Å; T162-S164 PolarHBondContact O-N 3.02Å; S164-I166 PolarHBondContact O-N 3.33Å; S164-Y167 PolarHBondContact O-N 3.15Å
165	N	37.4	Very low	51.8	Low	142 Å²	142	90.8 Å²	90.8	76%	0.759	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-57.7	-5	177.5	-82.8	-37.5	0	0	0	115.4	Y167 R168	N165-Y167 VanDerWaalsContact C-N 3.33Å; N165-Y167 PolarHBondContact O-N 2.68Å; N165-R168 PolarHBondContact O-N 3.33Å
166	I	39.7	Very low	49.6	Very low	116 Å²	116	93.8 Å²	93.8	60%	0.595	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-72.2	-27.7	-176.2	-58.4	175.5	0	0	0	111.4	S164 R168 T169	S164-I166 PolarHBondContact O-N 3.33Å; I166-R168 VanDerWaalsContact C-N 3.33Å; I166-R168 PolarHBondContact O-N 2.98Å; I166-T169 PolarHBondContact O-OG1 3.49Å
167	Y	38.9	Very low	47.4	Very low	59 Å²	59	92.7 Å²	92.7	23%	0.231	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-84.8	2.9	178.4	-75.4	-87.6	0	0	0	114.8	S164 N165 T169 S170 P449 L453	S164-Y167 PolarHBondContact O-N 3.15Å; N165-Y167 VanDerWaalsContact C-N 3.33Å; N165-Y167 PolarHBondContact O-N 2.68Å; Y167-T169 PolarHBondContact O-N 3.33Å; Y167-S170 WeakPolarHBondContact O-CA 3.43Å; Y167-S170 VanDerWaalsContact O-CB 3.25Å; Y167-S170 WeakPolarHBondContact O-CB 3.48Å; Y167-S170 PolarHBondContact O-N 2.96Å; Y167-P449 HydrophobicContact CE1-CB 4.11Å; Y167-P449 PolarHBondContact OH-O 3.08Å; Y167-L453 HydrophobicContact CE2-CD1 4.33Å
168	R	30.3	Very low	45.3	Very low	191 Å²	191	96.5 Å²	96.5	72%	0.721	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-57.8	-17.4	164.5	-129	177.8	-166.6	-167.5	4	111.6	N165 I166	N165-R168 PolarHBondContact O-N 3.33Å; I166-R168 VanDerWaalsContact C-N 3.33Å; I166-R168 PolarHBondContact O-N 2.98Å
169	T	33.5	Very low	43.9	Very low	89 Å²	89	99.1 Å²	99.1	55%	0.546	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-76.1	-20	170.1	60.9	0	0	0	0	114.3	I166 Y167 K172 R173	I166-T169 PolarHBondContact O-OG1 3.49Å; Y167-T169 PolarHBondContact O-N 3.33Å; T169-K172 CarbonylContact O-C 3.35Å; T169-K172 WeakPolarHBondContact O-CA 3.4Å; T169-K172 WeakPolarHBondContact O-CB 3.4Å; T169-K172 PolarHBondContact O-N 3.15Å; T169-K172 VanDerWaalsContact O-N 3.08Å; T169-R173 PolarHBondContact O-N 3.12Å
170	S	35	Very low	42.8	Very low	43 Å²	43	98.5 Å²	98.5	30%	0.301	50%	0.499	S	S	.	.	H	α-helix	trans	-68.2	-38.1	171.7	-168	0	0	0	0	111.7	Y167 K172 R173 S174	Y167-S170 WeakPolarHBondContact O-CA 3.43Å; Y167-S170 VanDerWaalsContact O-CB 3.25Å; Y167-S170 WeakPolarHBondContact O-CB 3.48Å; Y167-S170 PolarHBondContact O-N 2.96Å; S170-K172 PolarHBondContact O-N 3.09Å; S170-R173 CarbonylContact O-C 3.52Å; S170-R173 WeakPolarHBondContact O-CA 3.45Å; S170-R173 WeakPolarHBondContact O-CB 3.48Å; S170-R173 PolarHBondContact O-N 3.1Å; S170-S174 PolarHBondContact O-N 3.29Å
171	R	34.2	Very low	42.4	Very low	196 Å²	196	105.8 Å²	105.8	74%	0.74	51%	0.514	S	S	*	.	H	α-helix	trans	-62.1	-22.9	167.6	-94	-172.8	-175.8	179.3	2.7	113.4	S174	R171-S174 PolarHBondContact O-OG 2.84Å
172	K	35	Very low	42.5	Very low	150 Å²	150	108.9 Å²	108.9	65%	0.652	53%	0.531	S	S	*	.	H	α-helix	trans	-83.5	-27.8	169.6	-67.2	-172.2	176.5	-175.5	0	111.7	T169 S170 R175 L176	T169-K172 CarbonylContact O-C 3.35Å; T169-K172 WeakPolarHBondContact O-CA 3.4Å; T169-K172 WeakPolarHBondContact O-CB 3.4Å; T169-K172 PolarHBondContact O-N 3.15Å; T169-K172 VanDerWaalsContact O-N 3.08Å; S170-K172 PolarHBondContact O-N 3.09Å; K172-R175 PolarHBondContact O-N 2.91Å; K172-L176 PolarHBondContact O-N 3.46Å
173	R	33.9	Very low	43.4	Very low	157 Å²	157	108.9 Å²	108.9	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-71.1	-29.9	173.9	-114.4	179.5	-175.7	-156.2	-2.2	113.4	T169 S170 R175 L176 L177	T169-R173 PolarHBondContact O-N 3.12Å; S170-R173 CarbonylContact O-C 3.52Å; S170-R173 WeakPolarHBondContact O-CA 3.45Å; S170-R173 WeakPolarHBondContact O-CB 3.48Å; S170-R173 PolarHBondContact O-N 3.1Å; R173-R175 PolarHBondContact O-N 2.93Å; R173-L176 HydrophobicContact CG-CD1 4.5Å; R173-L176 CarbonylContact O-C 3.54Å; R173-L176 PolarHBondContact O-N 3.24Å; R173-L177 PolarHBondContact O-N 3.44Å
174	S	40	Very low	44.6	Very low	50 Å²	50	107.3 Å²	107.3	35%	0.35	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-25.2	171.4	65.9	0	0	0	0	112.9	S170 R171	S170-S174 PolarHBondContact O-N 3.29Å; R171-S174 PolarHBondContact O-OG 2.84Å
175	R	35.5	Very low	46.3	Very low	219 Å²	219	108 Å²	108	83%	0.826	52%	0.515	S	S	*	.	H	α-helix	trans	-80.3	-25	168.2	-74.9	-176	173.1	161.7	-1.8	113.7	K172 R173	K172-R175 PolarHBondContact O-N 2.91Å; R173-R175 PolarHBondContact O-N 2.93Å
176	L	39.8	Very low	48.3	Very low	94 Å²	94	101.9 Å²	101.9	49%	0.492	48%	0.482	S	S	.	.	H	α-helix	trans	-82.9	-15.7	177.9	-82.9	149.9	0	0	0	113.3	K172 R173	K172-L176 PolarHBondContact O-N 3.46Å; R173-L176 HydrophobicContact CG-CD1 4.5Å; R173-L176 CarbonylContact O-C 3.54Å; R173-L176 PolarHBondContact O-N 3.24Å
177	L	40	Very low	50.5	Low	67 Å²	67	96.6 Å²	96.6	35%	0.351	46%	0.456	S	S	.	.			trans	-105.7	78.7	166.6	-66.7	167.5	0	0	0	107.2	R173 F179 Y189	R173-L177 PolarHBondContact O-N 3.44Å; L177-F179 VanDerWaalsContact C-N 3.32Å; L177-F179 PolarHBondContact O-N 3.22Å; L177-Y189 HydrophobicContact CD1-CE1 4.13Å
178	S	42.1	Very low	52.5	Low	105 Å²	105	95.4 Å²	95.4	73%	0.734	45%	0.453	S	S	*	.			trans	-45.7	112.2	147.8	160	0	0	0	0	104.9	S180	S178-S180 PolarHBondContact O-N 3.19Å
179	F	51.3	Low	55.1	Low	68 Å²	68	90.3 Å²	90.3	30%	0.298	44%	0.435	S	S	.	.			trans	-38.8	119.1	176.6	-102.4	-107.8	0	0	0	106.5	L147 Y151 L177 K181 T186	L147-F179 HydrophobicContact CB-CE1 4.18Å; Y151-F179 HydrophobicContact CD1-CE2 4.12Å; Y151-F179 HydrophobicContact CD1-CZ 4.24Å; Y151-F179 HydrophobicContact CG-CE2 4.44Å; Y151-F179 HydrophobicContact CG-CZ 4.14Å; L177-F179 VanDerWaalsContact C-N 3.32Å; L177-F179 PolarHBondContact O-N 3.22Å; F179-K181 PolarHBondContact O-N 2.9Å; F179-K181 VanDerWaalsContact O-N 3.11Å; F179-T186 HydrophobicContact CD1-CG2 3.46Å; F179-T186 VanDerWaalsContact CD1-CG2 3.46Å; F179-T186 HydrophobicContact CE1-CG2 3.18Å; F179-T186 HydrophobicContact CZ-CG2 4.23Å
180	S	52	Low	57.7	Low	51 Å²	51	86.1 Å²	86.1	36%	0.357	41%	0.409	S	S	.	.			trans	-52.6	130.6	174	178.4	0	0	0	0	105.5	S178 D182	S178-S180 PolarHBondContact O-N 3.19Å; S180-D182 PolarHBondContact O-N 2.92Å; S180-D182 WeakPolarHBondContact OG-CB 3.15Å; S180-D182 PolarHBondContact OG-N 3.43Å
181	K	55.4	Low	60.4	Low	214 Å²	214	84 Å²	84	93%	0.93	39%	0.394	S	S	*	.	S	Bend	trans	-57.6	-9.7	171.5	-70.6	-174.8	177.5	-177.6	0	111.4	F179 P183	F179-K181 PolarHBondContact O-N 2.9Å; F179-K181 VanDerWaalsContact O-N 3.11Å; K181-P183 WeakPolarHBondContact O-CD 3.31Å
182	D	70.6	Confident	62.9	Low	75 Å²	75	78.4 Å²	78.4	40%	0.401	38%	0.376	S	S	.	.			trans	-83.8	109.2	169.4	-175	7.1	0	0	0	112.5	S180 K184 L185 T186	S180-D182 PolarHBondContact O-N 2.92Å; S180-D182 WeakPolarHBondContact OG-CB 3.15Å; S180-D182 PolarHBondContact OG-N 3.43Å; D182-K184 PolarHBondContact O-N 3.37Å; D182-K184 VanDerWaalsContact OD1-CB 3.3Å; D182-K184 WeakPolarHBondContact OD1-CB 3.46Å; D182-K184 PolarHBondContact OD1-N 3.03Å; D182-L185 HydrophobicContact CB-CB 4.47Å; D182-T186 PolarHBondContact O-N 3.05Å; D182-T186 PolarHBondContact O-OG1 2.97Å
183	P	75.8	Confident	65.3	Low	42 Å²	42	72 Å²	72	27%	0.273	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-25.4	176	26.7	-34.5	0	0	0	112.9	L147 K181 T186 T187	L147-P183 HydrophobicContact CD1-CB 3.87Å; K181-P183 WeakPolarHBondContact O-CD 3.31Å; P183-T186 PolarHBondContact O-N 2.91Å; P183-T187 WeakPolarHBondContact O-CB 3.21Å; P183-T187 PolarHBondContact O-N 3.3Å; P183-T187 PolarHBondContact O-OG1 3.02Å; P183-T187 VanDerWaalsContact O-OG1 3.05Å
184	K	75.2	Confident	68.1	Low	84 Å²	84	64.5 Å²	64.5	37%	0.365	32%	0.321	S	S	.	.	H	α-helix	trans	-67.3	-47.5	-178.2	-171.1	177.1	-175.1	173.5	0	111.4	D182 T186 T187 D188 Q257	D182-K184 PolarHBondContact O-N 3.37Å; D182-K184 VanDerWaalsContact OD1-CB 3.3Å; D182-K184 WeakPolarHBondContact OD1-CB 3.46Å; D182-K184 PolarHBondContact OD1-N 3.03Å; K184-T186 PolarHBondContact O-N 2.94Å; K184-T187 PolarHBondContact O-N 3.25Å; K184-D188 WeakPolarHBondContact O-CB 3.45Å; K184-D188 PolarHBondContact O-N 3.09Å; K184-Q257 PolarHBondContact NZ-O 2.99Å; K184-Q257 VanDerWaalsContact NZ-O 3.14Å
185	L	76.2	Confident	70.5	Confident	57 Å²	57	62.8 Å²	62.8	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-36.9	176.2	-171	70.2	0	0	0	111.5	D182 Y189	D182-L185 HydrophobicContact CB-CB 4.47Å; L185-Y189 WeakPolarHBondContact O-CB 3.48Å; L185-Y189 PolarHBondContact O-N 2.93Å
186	T	79.2	Confident	72.8	Confident	12 Å²	12	53.7 Å²	53.7	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-68.1	-46.2	178.3	-59.6	0	0	0	0	111.6	L147 F179 D182 P183 K184 Y189 I190	L147-T186 HydrophobicContact CB-CG2 3.83Å; L147-T186 HydrophobicContact CD1-CG2 3.86Å; L147-T186 HydrophobicContact CG-CG2 4.34Å; F179-T186 HydrophobicContact CD1-CG2 3.46Å; F179-T186 VanDerWaalsContact CD1-CG2 3.46Å; F179-T186 HydrophobicContact CE1-CG2 3.18Å; F179-T186 HydrophobicContact CZ-CG2 4.23Å; D182-T186 PolarHBondContact O-N 3.05Å; D182-T186 PolarHBondContact O-OG1 2.97Å; P183-T186 PolarHBondContact O-N 2.91Å; K184-T186 PolarHBondContact O-N 2.94Å; T186-Y189 PolarHBondContact O-N 3.14Å; T186-I190 HydrophobicContact CG2-CD1 4.02Å; T186-I190 VanDerWaalsContact O-CG1 3.32Å; T186-I190 WeakPolarHBondContact O-CG1 3.34Å; T186-I190 PolarHBondContact O-N 3Å
187	T	85.7	Confident	75.1	Confident	6 Å²	6	50 Å²	50	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-47.9	173.9	-63.1	0	0	0	0	111.6	L147 P183 K184 Y189 I190 L191 W219 I223 I292	L147-T187 WeakPolarHBondContact CD2-OG1 3.34Å; P183-T187 WeakPolarHBondContact O-CB 3.21Å; P183-T187 PolarHBondContact O-N 3.3Å; P183-T187 PolarHBondContact O-OG1 3.02Å; P183-T187 VanDerWaalsContact O-OG1 3.05Å; K184-T187 PolarHBondContact O-N 3.25Å; T187-Y189 VanDerWaalsContact C-N 3.32Å; T187-Y189 PolarHBondContact O-N 3.45Å; T187-I190 PolarHBondContact O-N 3.38Å; T187-L191 HydrophobicContact CG2-CD1 3.94Å; T187-L191 HydrophobicContact CG2-CG 4.4Å; T187-L191 WeakPolarHBondContact O-CG 3.4Å; T187-L191 PolarHBondContact O-N 3.42Å; T187-W219 HydrophobicContact CG2-CH2 4.06Å; T187-W219 HydrophobicContact CG2-CZ2 3.88Å; T187-I223 HydrophobicContact CG2-CD1 4.37Å; T187-I292 HydrophobicContact CG2-CD1 4.16Å
188	D	82	Confident	77.6	Confident	34 Å²	34	46.9 Å²	46.9	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-45.5	177.3	-177.1	79.4	0	0	0	111.6	K184 L191 H192 L295	K184-D188 WeakPolarHBondContact O-CB 3.45Å; K184-D188 PolarHBondContact O-N 3.09Å; D188-L191 PolarHBondContact O-N 2.99Å; D188-H192 WeakPolarHBondContact O-CB 3.39Å; D188-H192 PolarHBondContact O-CD2 2.88Å; D188-H192 VanDerWaalsContact O-CD2 3.24Å; D188-H192 PolarHBondContact O-N 2.84Å; D188-H192 IonicContact OD1-CD2 2.68Å; D188-H192 IonicContact OD1-NE2 3.94Å; D188-H192 IonicContact OD2-CD2 3.63Å; D188-H192 PolarHBondContact OD2-CD2 3.38Å; D188-H192 IonicContact OD2-NE2 3.89Å; D188-L295 WeakPolarHBondContact OD1-CD1 3.22Å
189	Y	83.7	Confident	79.7	Confident	83 Å²	83	44.6 Å²	44.6	33%	0.325	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-45.2	176.8	-178.6	-112.1	0	0	0	112.9	Y151 L177 L185 T186 T187 H192 L193	Y151-Y189 HydrophobicContact CD2-CE1 4.14Å; Y151-Y189 AromaticContact CE2-CE1 3.7Å; Y151-Y189 HydrophobicContact CE2-CE1 3.7Å; L177-Y189 HydrophobicContact CD1-CE1 4.13Å; L185-Y189 WeakPolarHBondContact O-CB 3.48Å; L185-Y189 PolarHBondContact O-N 2.93Å; T186-Y189 PolarHBondContact O-N 3.14Å; T187-Y189 VanDerWaalsContact C-N 3.32Å; T187-Y189 PolarHBondContact O-N 3.45Å; Y189-H192 PolarHBondContact O-N 3.39Å; Y189-L193 HydrophobicContact CD1-CD1 4.02Å; Y189-L193 HydrophobicContact CE1-CD1 3.54Å; Y189-L193 HydrophobicContact CE1-CG 4.23Å; Y189-L193 HydrophobicContact CE2-CD2 4.44Å; Y189-L193 HydrophobicContact CE2-CG 4.39Å; Y189-L193 WeakPolarHBondContact O-CG 3.49Å; Y189-L193 PolarHBondContact O-N 3.35Å
190	I	89.2	Confident	81.4	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-47.1	176.6	-73.5	168.5	0	0	0	110.6	L147 F150 I154 T186 T187 H192 L193 L194 W219	L147-I190 HydrophobicContact CB-CD1 3.96Å; L147-I190 HydrophobicContact CD2-CD1 3.91Å; L147-I190 VanDerWaalsContact O-CD1 3.28Å; L147-I190 WeakPolarHBondContact O-CD1 3.38Å; F150-I190 HydrophobicContact CB-CD1 4.45Å; F150-I190 HydrophobicContact CB-CG2 4.35Å; I154-I190 HydrophobicContact CD1-CG2 3.74Å; T186-I190 HydrophobicContact CG2-CD1 4.02Å; T186-I190 VanDerWaalsContact O-CG1 3.32Å; T186-I190 WeakPolarHBondContact O-CG1 3.34Å; T186-I190 PolarHBondContact O-N 3Å; T187-I190 PolarHBondContact O-N 3.38Å; I190-H192 VanDerWaalsContact C-N 3.34Å; I190-H192 PolarHBondContact O-N 2.95Å; I190-L193 WeakPolarHBondContact O-CB 3.48Å; I190-L193 PolarHBondContact O-N 3.39Å; I190-L194 HydrophobicContact CG2-CD1 4.18Å; I190-L194 WeakPolarHBondContact O-CG 3.4Å; I190-L194 PolarHBondContact O-N 3.1Å; I190-W219 HydrophobicContact CG2-CH2 3.94Å; I190-W219 HydrophobicContact CG2-CZ3 4.25Å
191	L	91.1	Very high	83	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-41.4	177.8	-70.3	172.2	0	0	0	111.8	T187 D188 L193 L194 I195 W219 L220 I223 I292 L295 V296	T187-L191 HydrophobicContact CG2-CD1 3.94Å; T187-L191 HydrophobicContact CG2-CG 4.4Å; T187-L191 WeakPolarHBondContact O-CG 3.4Å; T187-L191 PolarHBondContact O-N 3.42Å; D188-L191 PolarHBondContact O-N 2.99Å; L191-L193 PolarHBondContact O-N 3.08Å; L191-L194 HydrophobicContact CD2-CD1 4.43Å; L191-L194 WeakPolarHBondContact O-CB 3.5Å; L191-L194 PolarHBondContact O-N 3.44Å; L191-I195 VanDerWaalsContact O-CG1 3.28Å; L191-I195 WeakPolarHBondContact O-CG1 3.32Å; L191-I195 PolarHBondContact O-N 3.32Å; L191-W219 HydrophobicContact CD2-CH2 4.2Å; L191-W219 HydrophobicContact CD2-CZ3 4.05Å; L191-W219 HydrophobicContact CG-CH2 4.33Å; L191-L220 HydrophobicContact CD2-CD2 3.51Å; L191-I223 HydrophobicContact CD1-CD1 4.29Å; L191-I223 HydrophobicContact CD2-CD1 4.27Å; L191-I292 HydrophobicContact CD1-CG1 4.33Å; L191-L295 HydrophobicContact CB-CB 4Å; L191-L295 HydrophobicContact CB-CD1 4.02Å; L191-L295 HydrophobicContact CD1-CB 3.92Å; L191-L295 HydrophobicContact CD1-CD1 3.87Å; L191-L295 HydrophobicContact CG-CB 4.46Å; L191-V296 HydrophobicContact CD1-CG2 4.46Å; L191-V296 HydrophobicContact CD2-CG2 3.98Å
192	H	86.8	Confident	84.6	Confident	77 Å²	77	37.4 Å²	37.4	36%	0.356	18%	0.184	S	C	.	.	H	α-helix	trans	-64.3	-36.5	174.8	-85.3	-57.2	0	0	0	113.5	D188 Y189 I190 S196 L295	D188-H192 WeakPolarHBondContact O-CB 3.39Å; D188-H192 PolarHBondContact O-CD2 2.88Å; D188-H192 VanDerWaalsContact O-CD2 3.24Å; D188-H192 PolarHBondContact O-N 2.84Å; D188-H192 IonicContact OD1-CD2 2.68Å; D188-H192 IonicContact OD1-NE2 3.94Å; D188-H192 IonicContact OD2-CD2 3.63Å; D188-H192 PolarHBondContact OD2-CD2 3.38Å; D188-H192 IonicContact OD2-NE2 3.89Å; Y189-H192 PolarHBondContact O-N 3.39Å; I190-H192 VanDerWaalsContact C-N 3.34Å; I190-H192 PolarHBondContact O-N 2.95Å; H192-S196 WeakPolarHBondContact O-CB 3.39Å; H192-S196 PolarHBondContact O-N 3.39Å; H192-S196 PolarHBondContact O-OG 2.92Å; H192-L295 VanDerWaalsContact CE1-CD2 3.46Å; H192-L295 WeakPolarHBondContact CE1-CD2 3.25Å
193	L	86.6	Confident	85.5	Confident	16 Å²	16	33.9 Å²	33.9	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-47	172.3	-71	176.6	0	0	0	110.9	Y151 I154 Y189 I190 L191 I195 S196 Y197	Y151-L193 HydrophobicContact CD2-CD1 3.91Å; Y151-L193 HydrophobicContact CE2-CD1 3.81Å; I154-L193 HydrophobicContact CG2-CB 4.19Å; Y189-L193 HydrophobicContact CD1-CD1 4.02Å; Y189-L193 HydrophobicContact CE1-CD1 3.54Å; Y189-L193 HydrophobicContact CE1-CG 4.23Å; Y189-L193 HydrophobicContact CE2-CD2 4.44Å; Y189-L193 HydrophobicContact CE2-CG 4.39Å; Y189-L193 WeakPolarHBondContact O-CG 3.49Å; Y189-L193 PolarHBondContact O-N 3.35Å; I190-L193 WeakPolarHBondContact O-CB 3.48Å; I190-L193 PolarHBondContact O-N 3.39Å; L191-L193 PolarHBondContact O-N 3.08Å; L193-I195 PolarHBondContact O-N 3.01Å; L193-S196 WeakPolarHBondContact O-CB 3.25Å; L193-S196 PolarHBondContact O-N 3.43Å; L193-S196 VanDerWaalsContact O-N 3.1Å; L193-Y197 HydrophobicContact CB-CD2 4.31Å; L193-Y197 HydrophobicContact CB-CE2 4.34Å; L193-Y197 HydrophobicContact CD2-CE2 4.11Å; L193-Y197 WeakPolarHBondContact O-CD2 3.15Å; L193-Y197 PolarHBondContact O-N 3.26Å
194	L	91.9	Very high	86.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-55.6	-49.6	177.2	-75.8	172.1	0	0	0	111.9	I154 I190 L191 S196 Y197 S198 L216 W219 F299	I154-L194 HydrophobicContact CD1-CD1 4.33Å; I154-L194 HydrophobicContact CD1-CD2 3.65Å; I154-L194 HydrophobicContact CD1-CG 3.63Å; I154-L194 HydrophobicContact CG1-CD2 3.69Å; I154-L194 HydrophobicContact CG1-CG 4.24Å; I190-L194 HydrophobicContact CG2-CD1 4.18Å; I190-L194 WeakPolarHBondContact O-CG 3.4Å; I190-L194 PolarHBondContact O-N 3.1Å; L191-L194 HydrophobicContact CD2-CD1 4.43Å; L191-L194 WeakPolarHBondContact O-CB 3.5Å; L191-L194 PolarHBondContact O-N 3.44Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 3.38Å; L194-Y197 PolarHBondContact O-N 3.35Å; L194-S198 WeakPolarHBondContact O-CB 3.41Å; L194-S198 PolarHBondContact O-N 3.35Å; L194-S198 PolarHBondContact O-OG 2.8Å; L194-L216 HydrophobicContact CD1-CD1 3.97Å; L194-L216 HydrophobicContact CD2-CD2 4.15Å; L194-W219 HydrophobicContact CD1-CZ3 4.48Å; L194-F299 HydrophobicContact CB-CD2 3.6Å; L194-F299 HydrophobicContact CB-CE2 3.77Å; L194-F299 HydrophobicContact CB-CG 4.19Å; L194-F299 HydrophobicContact CB-CZ 4.49Å; L194-F299 HydrophobicContact CD2-CE2 3.92Å; L194-F299 HydrophobicContact CD2-CZ 4.08Å; L194-F299 HydrophobicContact CG-CE2 4.33Å
195	I	90.3	Very high	87.1	Confident	14 Å²	14	31.4 Å²	31.4	7%	0.072	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-39.7	176.5	-65.3	163.5	0	0	0	111.4	L191 L193 S198 L295 N298 F299 N302	L191-I195 VanDerWaalsContact O-CG1 3.28Å; L191-I195 WeakPolarHBondContact O-CG1 3.32Å; L191-I195 PolarHBondContact O-N 3.32Å; L193-I195 PolarHBondContact O-N 3.01Å; I195-S198 WeakPolarHBondContact CA-OG 3.4Å; I195-S198 PolarHBondContact O-OG 3.23Å; I195-S198 VanDerWaalsContact O-OG 3.09Å; I195-L295 HydrophobicContact CD1-CB 4.06Å; I195-L295 HydrophobicContact CD1-CD2 3.5Å; I195-L295 HydrophobicContact CD1-CG 4.4Å; I195-L295 WeakPolarHBondContact CD1-O 3.45Å; I195-N298 HydrophobicContact CD1-CB 4.11Å; I195-N298 HydrophobicContact CG1-CB 4.31Å; I195-F299 HydrophobicContact CG1-CB 3.97Å; I195-N302 PolarHBondContact O-ND2 2.86Å
196	S	84.6	Confident	87.8	Confident	27 Å²	27	32.6 Å²	32.6	19%	0.189	16%	0.157	C	C	.	.	H	α-helix	trans	-68	-45.9	-177.6	-64.2	0	0	0	0	111.6	H192 L193 L194 C448	H192-S196 WeakPolarHBondContact O-CB 3.39Å; H192-S196 PolarHBondContact O-N 3.39Å; H192-S196 PolarHBondContact O-OG 2.92Å; L193-S196 WeakPolarHBondContact O-CB 3.25Å; L193-S196 PolarHBondContact O-N 3.43Å; L193-S196 VanDerWaalsContact O-N 3.1Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 3.38Å; S196-C448 PolarHBondContact O-SG 3.1Å
197	Y	87.8	Confident	88.5	Confident	18 Å²	18	32 Å²	32	7%	0.071	15%	0.154	C	C	.	.	H	α-helix	trans	-74.9	-32.8	-179.4	-73.1	-63.8	0	0	0	112.6	I154 L193 L194 K199 D200 Y203 L450	I154-Y197 HydrophobicContact CG2-CD2 3.67Å; I154-Y197 HydrophobicContact CG2-CE2 3.82Å; L193-Y197 HydrophobicContact CB-CD2 4.31Å; L193-Y197 HydrophobicContact CB-CE2 4.34Å; L193-Y197 HydrophobicContact CD2-CE2 4.11Å; L193-Y197 WeakPolarHBondContact O-CD2 3.15Å; L193-Y197 PolarHBondContact O-N 3.26Å; L194-Y197 PolarHBondContact O-N 3.35Å; Y197-K199 PolarHBondContact O-N 3.08Å; Y197-D200 PolarHBondContact O-N 3.45Å; Y197-Y203 HydrophobicContact CD1-CD2 4.44Å; Y197-Y203 HydrophobicContact CG-CD2 4.25Å; Y197-Y203 HydrophobicContact CG-CE2 4.07Å; Y197-Y203 WeakPolarHBondContact O-CB 3.29Å; Y197-L450 HydrophobicContact CD1-CD1 3.63Å; Y197-L450 HydrophobicContact CD1-CD2 4.43Å; Y197-L450 HydrophobicContact CD1-CG 3.93Å; Y197-L450 HydrophobicContact CE1-CD1 4.18Å; Y197-L450 HydrophobicContact CE1-CD2 4.2Å; Y197-L450 HydrophobicContact CE1-CG 3.96Å
198	S	91.3	Very high	88.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-6.1	178.6	65.9	0	0	0	0	114.9	L194 I195 N302	L194-S198 WeakPolarHBondContact O-CB 3.41Å; L194-S198 PolarHBondContact O-N 3.35Å; L194-S198 PolarHBondContact O-OG 2.8Å; I195-S198 WeakPolarHBondContact CA-OG 3.4Å; I195-S198 PolarHBondContact O-OG 3.23Å; I195-S198 VanDerWaalsContact O-OG 3.09Å; S198-N302 WeakPolarHBondContact OG-CB 3.35Å; S198-N302 PolarHBondContact OG-ND2 3.38Å
199	K	87.3	Confident	89.3	Confident	57 Å²	57	38.5 Å²	38.5	25%	0.248	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.2	169.9	-66.2	-161.2	174.7	-152.9	0	113.8	Y197 P367 D368	Y197-K199 PolarHBondContact O-N 3.08Å; K199-P367 HydrophobicContact CG-CB 4.24Å; K199-P367 HydrophobicContact CG-CG 4.44Å; K199-D368 IonicContact NZ-OD1 3.34Å; K199-D368 PolarHBondContact NZ-OD1 2.85Å
200	D	85.8	Confident	89.7	Confident	14 Å²	14	35.8 Å²	35.8	8%	0.075	18%	0.179	C	C	.	.	S	Bend	trans	-93.7	119.6	178.4	-167.7	-33.3	0	0	0	110	Y197 R202 Y203 L204 L450	Y197-D200 PolarHBondContact O-N 3.45Å; D200-R202 PolarHBondContact O-N 2.83Å; D200-R202 WeakPolarHBondContact OD1-CB 3.44Å; D200-R202 IonicContact OD1-CZ 3.94Å; D200-R202 PolarHBondContact OD1-N 3.06Å; D200-R202 IonicContact OD1-NE 3.12Å; D200-R202 PolarHBondContact OD1-NE 3.3Å; D200-R202 VanDerWaalsContact OD1-NE 3.12Å; D200-R202 IonicContact OD1-NH2 3.04Å; D200-R202 IonicContact OD2-CZ 3.53Å; D200-R202 IonicContact OD2-NE 3.61Å; D200-R202 PolarHBondContact OD2-NE 3.34Å; D200-R202 IonicContact OD2-NH2 3.67Å; D200-R202 PolarHBondContact OD2-NH2 2.89Å; D200-Y203 WeakPolarHBondContact O-CB 3.37Å; D200-Y203 PolarHBondContact O-N 2.98Å; D200-L204 PolarHBondContact O-N 3.48Å; D200-L450 HydrophobicContact CB-CD1 3.78Å
201	P	86.4	Confident	89.7	Confident	63 Å²	63	44.7 Å²	44.7	41%	0.409	22%	0.22	S	C	.	.	H	α-helix	trans	-54.5	-35.7	178.5	-27.2	35.6	0	0	0	113.8	Y203 L204 D205	P201-Y203 PolarHBondContact O-N 2.89Å; P201-L204 WeakPolarHBondContact O-CA 3.48Å; P201-L204 WeakPolarHBondContact O-CB 3.39Å; P201-L204 PolarHBondContact O-N 3.4Å; P201-D205 PolarHBondContact O-N 3.47Å
202	R	88.3	Confident	89.8	Confident	106 Å²	106	47.3 Å²	47.3	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-31.3	179.1	-61.2	171.5	-65.7	167.4	6.6	112.2	I161 D200 L204 H206	I161-R202 HydrophobicContact CG2-CB 4.37Å; D200-R202 PolarHBondContact O-N 2.83Å; D200-R202 WeakPolarHBondContact OD1-CB 3.44Å; D200-R202 IonicContact OD1-CZ 3.94Å; D200-R202 PolarHBondContact OD1-N 3.06Å; D200-R202 IonicContact OD1-NE 3.12Å; D200-R202 PolarHBondContact OD1-NE 3.3Å; D200-R202 VanDerWaalsContact OD1-NE 3.12Å; D200-R202 IonicContact OD1-NH2 3.04Å; D200-R202 IonicContact OD2-CZ 3.53Å; D200-R202 IonicContact OD2-NE 3.61Å; D200-R202 PolarHBondContact OD2-NE 3.34Å; D200-R202 IonicContact OD2-NH2 3.67Å; D200-R202 PolarHBondContact OD2-NH2 2.89Å; R202-L204 VanDerWaalsContact C-N 3.33Å; R202-H206 PolarHBondContact O-CD2 3.23Å; R202-H206 PolarHBondContact O-N 3.04Å
203	Y	91	Very high	90	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-37.8	173	-178.2	-95.9	0	0	0	111.2	L157 I161 Y197 D200 P201 H206 L207	L157-Y203 HydrophobicContact CB-CD2 4.32Å; L157-Y203 HydrophobicContact CB-CE2 3.67Å; L157-Y203 HydrophobicContact CD1-CE2 4.43Å; I161-Y203 HydrophobicContact CD1-CD2 3.65Å; I161-Y203 HydrophobicContact CD1-CG 3.99Å; Y197-Y203 HydrophobicContact CD1-CD2 4.44Å; Y197-Y203 HydrophobicContact CG-CD2 4.25Å; Y197-Y203 HydrophobicContact CG-CE2 4.07Å; Y197-Y203 WeakPolarHBondContact O-CB 3.29Å; D200-Y203 WeakPolarHBondContact O-CB 3.37Å; D200-Y203 PolarHBondContact O-N 2.98Å; P201-Y203 PolarHBondContact O-N 2.89Å; Y203-H206 PolarHBondContact O-N 3.2Å; Y203-L207 HydrophobicContact CD1-CB 4.41Å; Y203-L207 HydrophobicContact CE1-CB 4.22Å; Y203-L207 HydrophobicContact CE1-CD1 4.39Å; Y203-L207 HydrophobicContact CE1-CD2 4.11Å; Y203-L207 HydrophobicContact CE1-CG 4.47Å; Y203-L207 WeakPolarHBondContact O-CB 3.28Å; Y203-L207 PolarHBondContact O-N 3.04Å
204	L	92.5	Very high	90.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-43.5	177.2	-57.4	-178.4	0	0	0	110.9	D200 P201 R202 H206 L207 F208 I303 Q305 H306	D200-L204 PolarHBondContact O-N 3.48Å; P201-L204 WeakPolarHBondContact O-CA 3.48Å; P201-L204 WeakPolarHBondContact O-CB 3.39Å; P201-L204 PolarHBondContact O-N 3.4Å; R202-L204 VanDerWaalsContact C-N 3.33Å; L204-H206 VanDerWaalsContact C-N 3.3Å; L204-H206 PolarHBondContact O-N 3.25Å; L204-L207 HydrophobicContact CD2-CD2 4.34Å; L204-L207 PolarHBondContact O-N 2.97Å; L204-L207 VanDerWaalsContact O-N 3.12Å; L204-F208 HydrophobicContact CB-CD2 4.36Å; L204-F208 HydrophobicContact CB-CE2 4.36Å; L204-F208 WeakPolarHBondContact O-CD2 3.45Å; L204-F208 PolarHBondContact O-N 3.12Å; L204-I303 HydrophobicContact CD2-CB 4.13Å; L204-I303 HydrophobicContact CD2-CG2 3.65Å; L204-Q305 HydrophobicContact CD1-CG 3.77Å; L204-H306 HydrophobicContact CB-CB 4.31Å; L204-H306 HydrophobicContact CD1-CB 4.13Å
205	D	91.4	Very high	90.4	Very high	74 Å²	74	54.7 Å²	54.7	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-53.1	-49.4	175.6	-59	-30.4	0	0	0	110.9	P201 L209 H306	P201-D205 PolarHBondContact O-N 3.47Å; D205-L209 WeakPolarHBondContact O-CD1 3.24Å; D205-L209 VanDerWaalsContact O-CG 3.3Å; D205-L209 WeakPolarHBondContact O-CG 3.45Å; D205-L209 PolarHBondContact O-N 3.47Å; D205-H306 IonicContact OD1-CD2 2.67Å; D205-H306 IonicContact OD1-NE2 3.47Å; D205-H306 PolarHBondContact OD1-NE2 3.46Å
206	H	91.6	Very high	90.6	Very high	82 Å²	82	54 Å²	54	38%	0.38	26%	0.26	S	S	.	.	H	α-helix	trans	-69.3	-36.7	177.4	-66.4	-52.3	0	0	0	113.6	L157 R202 Y203 L204 L209 C210	L157-H206 HydrophobicContact CD2-CB 4.02Å; R202-H206 PolarHBondContact O-CD2 3.23Å; R202-H206 PolarHBondContact O-N 3.04Å; Y203-H206 PolarHBondContact O-N 3.2Å; L204-H206 VanDerWaalsContact C-N 3.3Å; L204-H206 PolarHBondContact O-N 3.25Å; H206-L209 PolarHBondContact O-N 3.11Å; H206-C210 PolarHBondContact O-N 2.84Å; H206-C210 VanDerWaalsContact O-N 3.16Å
207	L	93.3	Very high	91.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-44.6	-179.8	178	69.4	0	0	0	111.4	L157 Y203 L204 L209 C210 F213 L216 F299 I303	L157-L207 HydrophobicContact CD1-CD1 3.91Å; Y203-L207 HydrophobicContact CD1-CB 4.41Å; Y203-L207 HydrophobicContact CE1-CB 4.22Å; Y203-L207 HydrophobicContact CE1-CD1 4.39Å; Y203-L207 HydrophobicContact CE1-CD2 4.11Å; Y203-L207 HydrophobicContact CE1-CG 4.47Å; Y203-L207 WeakPolarHBondContact O-CB 3.28Å; Y203-L207 PolarHBondContact O-N 3.04Å; L204-L207 HydrophobicContact CD2-CD2 4.34Å; L204-L207 PolarHBondContact O-N 2.97Å; L204-L207 VanDerWaalsContact O-N 3.12Å; L207-L209 VanDerWaalsContact C-N 3.29Å; L207-L209 PolarHBondContact O-N 3.34Å; L207-C210 VanDerWaalsContact O-CB 3.23Å; L207-C210 WeakPolarHBondContact O-CB 3.42Å; L207-C210 PolarHBondContact O-N 3.31Å; L207-F213 HydrophobicContact CD1-CD2 4.29Å; L207-F213 HydrophobicContact CD2-CE2 4.39Å; L207-F213 HydrophobicContact CG-CD2 4.01Å; L207-F213 HydrophobicContact CG-CE2 4.16Å; L207-F213 WeakPolarHBondContact O-CD2 3.46Å; L207-L216 HydrophobicContact CD1-CD2 4.03Å; L207-F299 HydrophobicContact CD2-CE2 4.17Å; L207-F299 HydrophobicContact CD2-CZ 3.82Å; L207-I303 HydrophobicContact CD2-CG2 3.91Å
208	F	92.4	Very high	91.3	Very high	31 Å²	31	55.5 Å²	55.5	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-72.2	-22	179.3	-77.8	-72.3	0	0	0	113.1	L204 F213 I303 H306	L204-F208 HydrophobicContact CB-CD2 4.36Å; L204-F208 HydrophobicContact CB-CE2 4.36Å; L204-F208 WeakPolarHBondContact O-CD2 3.45Å; L204-F208 PolarHBondContact O-N 3.12Å; F208-F213 HydrophobicContact CD1-CE1 4.15Å; F208-F213 AromaticContact CD1-CE2 3.96Å; F208-F213 HydrophobicContact CD1-CE2 3.96Å; F208-F213 AromaticContact CD1-CZ 3.71Å; F208-F213 HydrophobicContact CD1-CZ 3.71Å; F208-F213 HydrophobicContact CE1-CE1 4.19Å; F208-F213 AromaticContact CE1-CE2 3.92Å; F208-F213 HydrophobicContact CE1-CE2 3.92Å; F208-F213 AromaticContact CE1-CZ 3.48Å; F208-F213 HydrophobicContact CE1-CZ 3.48Å; F208-F213 VanDerWaalsContact CE1-CZ 3.48Å; F208-F213 HydrophobicContact CZ-CZ 4.4Å; F208-I303 HydrophobicContact CE2-CB 4.23Å; F208-I303 HydrophobicContact CZ-CB 4.01Å; F208-I303 HydrophobicContact CZ-CD1 4.42Å; F208-I303 HydrophobicContact CZ-CG1 4.32Å; F208-H306 HydrophobicContact CD2-CB 4.13Å; F208-H306 AromaticContact CD2-CE1 3.83Å; F208-H306 AromaticContact CD2-CG 3.7Å; F208-H306 AromaticContact CD2-ND1 3.25Å; F208-H306 WeakPolarHBondContact CD2-ND1 3.42Å; F208-H306 HydrophobicContact CE2-CB 3.52Å; F208-H306 AromaticContact CE2-CG 3.64Å; F208-H306 AromaticContact CE2-ND1 3.51Å; F208-H306 AromaticContact CG-ND1 3.98Å; F208-H306 HydrophobicContact CZ-CB 4.31Å
209	L	91.8	Very high	91.4	Very high	145 Å²	145	56.2 Å²	56.2	76%	0.759	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.5	172.7	-67.4	172.7	0	0	0	113.4	D205 H206 L207	D205-L209 WeakPolarHBondContact O-CD1 3.24Å; D205-L209 VanDerWaalsContact O-CG 3.3Å; D205-L209 WeakPolarHBondContact O-CG 3.45Å; D205-L209 PolarHBondContact O-N 3.47Å; H206-L209 PolarHBondContact O-N 3.11Å; L207-L209 VanDerWaalsContact C-N 3.29Å; L207-L209 PolarHBondContact O-N 3.34Å
210	C	91.6	Very high	91.8	Very high	25 Å²	25	53.6 Å²	53.6	17%	0.169	26%	0.259	C	S	.	.			trans	-73.6	128	-177.2	-171.7	0	0	0	0	111.3	L157 H206 L207 N212 F213	L157-C210 HydrophobicContact CD2-CB 4.17Å; H206-C210 PolarHBondContact O-N 2.84Å; H206-C210 VanDerWaalsContact O-N 3.16Å; L207-C210 VanDerWaalsContact O-CB 3.23Å; L207-C210 WeakPolarHBondContact O-CB 3.42Å; L207-C210 PolarHBondContact O-N 3.31Å; C210-N212 PolarHBondContact O-N 2.88Å; C210-F213 VanDerWaalsContact O-CB 3.24Å; C210-F213 WeakPolarHBondContact O-CB 3.04Å; C210-F213 PolarHBondContact O-N 3.29Å
211	E	90.9	Very high	92.1	Very high	188 Å²	188	53.1 Å²	53.1	88%	0.879	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.9	176.3	-63.8	-178.2	171.3	0	0	113
212	N	91.5	Very high	92.3	Very high	56 Å²	56	54.3 Å²	54.3	30%	0.299	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	9	-177.7	-62.1	-56.9	0	0	0	113.8	F149 M153 C210 E214 R215 L216	F149-N212 HydrophobicContact CE1-CB 4.32Å; F149-N212 HydrophobicContact CZ-CB 3.91Å; F149-N212 VanDerWaalsContact CZ-CG 3.45Å; M153-N212 HydrophobicContact SD-CB 3.73Å; C210-N212 PolarHBondContact O-N 2.88Å; N212-E214 PolarHBondContact O-N 3.04Å; N212-R215 PolarHBondContact O-N 3.21Å; N212-L216 PolarHBondContact O-N 3.12Å
213	F	92.9	Very high	92.3	Very high	16 Å²	16	49.7 Å²	49.7	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-46.8	-179.4	179	-102.5	0	0	0	112.2	L207 F208 C210 R215 L216 I217 L312	L207-F213 HydrophobicContact CD1-CD2 4.29Å; L207-F213 HydrophobicContact CD2-CE2 4.39Å; L207-F213 HydrophobicContact CG-CD2 4.01Å; L207-F213 HydrophobicContact CG-CE2 4.16Å; L207-F213 WeakPolarHBondContact O-CD2 3.46Å; F208-F213 HydrophobicContact CD1-CE1 4.15Å; F208-F213 AromaticContact CD1-CE2 3.96Å; F208-F213 HydrophobicContact CD1-CE2 3.96Å; F208-F213 AromaticContact CD1-CZ 3.71Å; F208-F213 HydrophobicContact CD1-CZ 3.71Å; F208-F213 HydrophobicContact CE1-CE1 4.19Å; F208-F213 AromaticContact CE1-CE2 3.92Å; F208-F213 HydrophobicContact CE1-CE2 3.92Å; F208-F213 AromaticContact CE1-CZ 3.48Å; F208-F213 HydrophobicContact CE1-CZ 3.48Å; F208-F213 VanDerWaalsContact CE1-CZ 3.48Å; F208-F213 HydrophobicContact CZ-CZ 4.4Å; C210-F213 VanDerWaalsContact O-CB 3.24Å; C210-F213 WeakPolarHBondContact O-CB 3.04Å; C210-F213 PolarHBondContact O-N 3.29Å; F213-R215 VanDerWaalsContact C-N 3.32Å; F213-R215 PolarHBondContact O-N 2.92Å; F213-L216 WeakPolarHBondContact O-CB 3.17Å; F213-L216 PolarHBondContact O-N 2.95Å; F213-L216 VanDerWaalsContact O-N 3.16Å; F213-I217 HydrophobicContact CD1-CG1 4.18Å; F213-I217 HydrophobicContact CD2-CG1 4.49Å; F213-I217 HydrophobicContact CE1-CD1 4.38Å; F213-I217 HydrophobicContact CE1-CG1 3.73Å; F213-I217 HydrophobicContact CE2-CD1 4.09Å; F213-I217 HydrophobicContact CE2-CG1 4.08Å; F213-I217 HydrophobicContact CZ-CD1 3.82Å; F213-I217 HydrophobicContact CZ-CG1 3.68Å; F213-I217 WeakPolarHBondContact O-CG1 3.38Å; F213-I217 PolarHBondContact O-N 3.27Å; F213-L312 HydrophobicContact CE1-CD2 4.44Å; F213-L312 HydrophobicContact CZ-CD2 4.09Å
214	E	92.5	Very high	92.3	Very high	121 Å²	121	49.7 Å²	49.7	57%	0.565	24%	0.242	S	C	*	.	H	α-helix	trans	-59.8	-43	177.5	178.1	175.4	178.1	0	0	111.7	N212 L216 I217 N218 Y315	N212-E214 PolarHBondContact O-N 3.04Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-L216 PolarHBondContact O-N 3.35Å; E214-I217 PolarHBondContact O-N 3.36Å; E214-N218 WeakPolarHBondContact O-CB 3.18Å; E214-N218 PolarHBondContact O-N 2.94Å; E214-N218 PolarHBondContact O-ND2 3.33Å; E214-Y315 HydrophobicContact CG-CE1 4.44Å
215	R	93.2	Very high	92.1	Very high	111 Å²	111	51.7 Å²	51.7	42%	0.419	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-40.6	176.5	-173.4	175.6	178.1	-178.3	1.7	112	E146 F150 N212 F213 W219	E146-R215 IonicContact OE1-NE 3.83Å; E146-R215 IonicContact OE1-NH2 2.65Å; F150-R215 HydrophobicContact CE1-CG 4.35Å; F150-R215 HydrophobicContact CZ-CG 4.16Å; N212-R215 PolarHBondContact O-N 3.21Å; F213-R215 VanDerWaalsContact C-N 3.32Å; F213-R215 PolarHBondContact O-N 2.92Å; R215-W219 WeakPolarHBondContact O-CB 3.45Å; R215-W219 PolarHBondContact O-N 2.97Å; R215-W219 VanDerWaalsContact O-N 3.07Å
216	L	94.1	Very high	91.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-47.7	174.7	175	67.7	0	0	0	111.4	F150 M153 L194 L207 N212 F213 E214 W219 L220 F299	F150-L216 HydrophobicContact CD1-CB 4.44Å; F150-L216 HydrophobicContact CD1-CD1 3.88Å; F150-L216 HydrophobicContact CE1-CB 3.96Å; F150-L216 HydrophobicContact CE1-CD1 4Å; M153-L216 HydrophobicContact CE-CB 4.17Å; M153-L216 HydrophobicContact CE-CD1 4.12Å; M153-L216 HydrophobicContact CE-CD2 3.88Å; M153-L216 HydrophobicContact CE-CG 4.26Å; L194-L216 HydrophobicContact CD1-CD1 3.97Å; L194-L216 HydrophobicContact CD2-CD2 4.15Å; L207-L216 HydrophobicContact CD1-CD2 4.03Å; N212-L216 PolarHBondContact O-N 3.12Å; F213-L216 WeakPolarHBondContact O-CB 3.17Å; F213-L216 PolarHBondContact O-N 2.95Å; F213-L216 VanDerWaalsContact O-N 3.16Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-L216 PolarHBondContact O-N 3.35Å; L216-W219 HydrophobicContact CD1-CE3 3.95Å; L216-W219 HydrophobicContact CD1-CZ3 4.28Å; L216-W219 WeakPolarHBondContact O-CB 3.25Å; L216-W219 PolarHBondContact O-N 2.98Å; L216-L220 HydrophobicContact CD1-CD1 4.36Å; L216-L220 HydrophobicContact CD1-CG 4.35Å; L216-L220 HydrophobicContact CG-CD1 4.11Å; L216-L220 HydrophobicContact CG-CG 4.49Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.33Å; L216-L220 PolarHBondContact O-N 3.49Å; L216-F299 HydrophobicContact CD2-CE1 4.38Å; L216-F299 HydrophobicContact CD2-CZ 4.14Å
217	I	95.1	Very high	91.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-45.8	-179.7	-68.5	-57.3	0	0	0	111.1	F213 E214 W219 L220 C221 L300 I303 L312 Y315 I318	F213-I217 HydrophobicContact CD1-CG1 4.18Å; F213-I217 HydrophobicContact CD2-CG1 4.49Å; F213-I217 HydrophobicContact CE1-CD1 4.38Å; F213-I217 HydrophobicContact CE1-CG1 3.73Å; F213-I217 HydrophobicContact CE2-CD1 4.09Å; F213-I217 HydrophobicContact CE2-CG1 4.08Å; F213-I217 HydrophobicContact CZ-CD1 3.82Å; F213-I217 HydrophobicContact CZ-CG1 3.68Å; F213-I217 WeakPolarHBondContact O-CG1 3.38Å; F213-I217 PolarHBondContact O-N 3.27Å; E214-I217 PolarHBondContact O-N 3.36Å; I217-W219 VanDerWaalsContact C-N 3.3Å; I217-W219 PolarHBondContact O-N 2.7Å; I217-L220 HydrophobicContact CD1-CD1 4.31Å; I217-L220 PolarHBondContact O-N 2.73Å; I217-L220 VanDerWaalsContact O-N 3.14Å; I217-C221 PolarHBondContact O-N 3.5Å; I217-C221 PolarHBondContact O-SG 3.18Å; I217-C221 VanDerWaalsContact O-SG 3.38Å; I217-L300 HydrophobicContact CD1-CD2 4.22Å; I217-I303 HydrophobicContact CD1-CD1 4.45Å; I217-L312 HydrophobicContact CD1-CD2 3.81Å; I217-L312 HydrophobicContact CG1-CD2 4.23Å; I217-Y315 HydrophobicContact CB-CE1 4.32Å; I217-Y315 HydrophobicContact CG2-CD1 3.77Å; I217-Y315 HydrophobicContact CG2-CD2 4.29Å; I217-Y315 HydrophobicContact CG2-CE1 3.66Å; I217-Y315 HydrophobicContact CG2-CE2 4.2Å; I217-Y315 HydrophobicContact CG2-CG 4.08Å; I217-I318 HydrophobicContact CG2-CD1 3.67Å; I217-I318 HydrophobicContact CG2-CG1 4.47Å
218	N	93.2	Very high	90.5	Very high	74 Å²	74	46 Å²	46	40%	0.396	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-40.6	176.6	-72.7	-24.5	0	0	0	111.8	E214 C221 L222	E214-N218 WeakPolarHBondContact O-CB 3.18Å; E214-N218 PolarHBondContact O-N 2.94Å; E214-N218 PolarHBondContact O-ND2 3.33Å; N218-C221 PolarHBondContact O-N 2.96Å; N218-L222 WeakPolarHBondContact O-CB 3.5Å; N218-L222 PolarHBondContact O-N 3.25Å
219	W	93.6	Very high	89.2	Confident	15 Å²	15	49.1 Å²	49.1	6%	0.057	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-43.8	173.8	174.5	79.9	0	0	0	112.5	L147 F150 T187 I190 L191 L194 R215 L216 I217 L222 I223	L147-W219 HydrophobicContact CD2-CZ2 3.74Å; F150-W219 AromaticContact CD2-CD2 3.98Å; F150-W219 HydrophobicContact CD2-CD2 3.98Å; F150-W219 HydrophobicContact CD2-CE3 4.33Å; F150-W219 HydrophobicContact CD2-CG 4.17Å; F150-W219 HydrophobicContact CE2-CB 3.65Å; F150-W219 AromaticContact CE2-CD1 3.57Å; F150-W219 AromaticContact CE2-CD2 3.6Å; F150-W219 HydrophobicContact CE2-CD2 3.6Å; F150-W219 HydrophobicContact CE2-CE3 4.2Å; F150-W219 AromaticContact CE2-CG 3.32Å; F150-W219 HydrophobicContact CE2-CG 3.32Å; F150-W219 AromaticContact CE2-NE1 3.97Å; F150-W219 HydrophobicContact CZ-CB 3.51Å; F150-W219 HydrophobicContact CZ-CD2 4.21Å; F150-W219 AromaticContact CZ-CG 3.75Å; F150-W219 HydrophobicContact CZ-CG 3.75Å; T187-W219 HydrophobicContact CG2-CH2 4.06Å; T187-W219 HydrophobicContact CG2-CZ2 3.88Å; I190-W219 HydrophobicContact CG2-CH2 3.94Å; I190-W219 HydrophobicContact CG2-CZ3 4.25Å; L191-W219 HydrophobicContact CD2-CH2 4.2Å; L191-W219 HydrophobicContact CD2-CZ3 4.05Å; L191-W219 HydrophobicContact CG-CH2 4.33Å; L194-W219 HydrophobicContact CD1-CZ3 4.48Å; R215-W219 WeakPolarHBondContact O-CB 3.45Å; R215-W219 PolarHBondContact O-N 2.97Å; R215-W219 VanDerWaalsContact O-N 3.07Å; L216-W219 HydrophobicContact CD1-CE3 3.95Å; L216-W219 HydrophobicContact CD1-CZ3 4.28Å; L216-W219 WeakPolarHBondContact O-CB 3.25Å; L216-W219 PolarHBondContact O-N 2.98Å; I217-W219 VanDerWaalsContact C-N 3.3Å; I217-W219 PolarHBondContact O-N 2.7Å; W219-L222 PolarHBondContact O-N 3.36Å; W219-I223 HydrophobicContact CD2-CD1 4.37Å; W219-I223 HydrophobicContact CD2-CG2 4.49Å; W219-I223 HydrophobicContact CE3-CD1 4.26Å; W219-I223 HydrophobicContact CH2-CD1 3.94Å; W219-I223 HydrophobicContact CZ2-CD1 4.04Å; W219-I223 HydrophobicContact CZ2-CG2 4.42Å; W219-I223 HydrophobicContact CZ3-CD1 4.05Å; W219-I223 WeakPolarHBondContact O-CG1 3.42Å; W219-I223 WeakPolarHBondContact O-CG2 3.43Å; W219-I223 PolarHBondContact O-N 3.02Å
220	L	93.9	Very high	87.5	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-41.2	177.3	-68.6	171.9	0	0	0	112.5	L191 L216 I217 I223 S224 V296 F299	L191-L220 HydrophobicContact CD2-CD2 3.51Å; L216-L220 HydrophobicContact CD1-CD1 4.36Å; L216-L220 HydrophobicContact CD1-CG 4.35Å; L216-L220 HydrophobicContact CG-CD1 4.11Å; L216-L220 HydrophobicContact CG-CG 4.49Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.33Å; L216-L220 PolarHBondContact O-N 3.49Å; I217-L220 HydrophobicContact CD1-CD1 4.31Å; I217-L220 PolarHBondContact O-N 2.73Å; I217-L220 VanDerWaalsContact O-N 3.14Å; L220-I223 HydrophobicContact CD2-CD1 4.18Å; L220-I223 VanDerWaalsContact O-CG1 3.3Å; L220-I223 WeakPolarHBondContact O-CG1 3.21Å; L220-S224 WeakPolarHBondContact O-CB 3.42Å; L220-S224 PolarHBondContact O-N 3.46Å; L220-S224 VanDerWaalsContact O-N 3.15Å; L220-S224 PolarHBondContact O-OG 3.33Å; L220-V296 HydrophobicContact CB-CG1 4.1Å; L220-V296 HydrophobicContact CD2-CG1 4.35Å; L220-V296 HydrophobicContact CD2-CG2 4Å; L220-F299 HydrophobicContact CD1-CD1 3.56Å; L220-F299 HydrophobicContact CD1-CE1 3.45Å; L220-F299 VanDerWaalsContact CD1-CE1 3.45Å
221	C	92.7	Very high	85.5	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.034	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-47.9	173.7	-69.9	0	0	0	0	110.9	I217 N218 I223 S224 L225 D317 I318	I217-C221 PolarHBondContact O-N 3.5Å; I217-C221 PolarHBondContact O-SG 3.18Å; I217-C221 VanDerWaalsContact O-SG 3.38Å; N218-C221 PolarHBondContact O-N 2.96Å; C221-I223 PolarHBondContact O-N 2.73Å; C221-S224 PolarHBondContact O-N 3.29Å; C221-L225 WeakPolarHBondContact O-CB 3.32Å; C221-L225 WeakPolarHBondContact O-CG 3.5Å; C221-L225 PolarHBondContact O-N 3.48Å; C221-D317 HydrophobicContact CB-CB 4.14Å; C221-I318 VanDerWaalsContact SG-CG1 3.52Å
222	L	90.7	Very high	83.1	Confident	87 Å²	87	38.9 Å²	38.9	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-59.2	-50.4	-179.6	-177.1	69.3	0	0	0	112	N218 W219 S224 L225 S226	N218-L222 WeakPolarHBondContact O-CB 3.5Å; N218-L222 PolarHBondContact O-N 3.25Å; W219-L222 PolarHBondContact O-N 3.36Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 3.26Å; L222-L225 PolarHBondContact O-N 2.74Å; L222-S226 VanDerWaalsContact O-CB 3.22Å; L222-S226 WeakPolarHBondContact O-CB 3.47Å; L222-S226 PolarHBondContact O-N 3.06Å; L222-S226 PolarHBondContact O-OG 2.76Å; L222-S226 VanDerWaalsContact O-OG 3.08Å
223	I	89.5	Confident	80.5	Confident	10 Å²	10	42 Å²	42	5%	0.051	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-33.6	180	66.5	-179.2	0	0	0	111.7	T187 L191 W219 L220 C221 S226 A227 I292 V296	T187-I223 HydrophobicContact CG2-CD1 4.37Å; L191-I223 HydrophobicContact CD1-CD1 4.29Å; L191-I223 HydrophobicContact CD2-CD1 4.27Å; W219-I223 HydrophobicContact CD2-CD1 4.37Å; W219-I223 HydrophobicContact CD2-CG2 4.49Å; W219-I223 HydrophobicContact CE3-CD1 4.26Å; W219-I223 HydrophobicContact CH2-CD1 3.94Å; W219-I223 HydrophobicContact CZ2-CD1 4.04Å; W219-I223 HydrophobicContact CZ2-CG2 4.42Å; W219-I223 HydrophobicContact CZ3-CD1 4.05Å; W219-I223 WeakPolarHBondContact O-CG1 3.42Å; W219-I223 WeakPolarHBondContact O-CG2 3.43Å; W219-I223 PolarHBondContact O-N 3.02Å; L220-I223 HydrophobicContact CD2-CD1 4.18Å; L220-I223 VanDerWaalsContact O-CG1 3.3Å; L220-I223 WeakPolarHBondContact O-CG1 3.21Å; C221-I223 PolarHBondContact O-N 2.73Å; I223-S226 WeakPolarHBondContact CA-OG 2.91Å; I223-S226 PolarHBondContact O-OG 3.28Å; I223-A227 PolarHBondContact O-N 2.91Å; I223-I292 HydrophobicContact CB-CD1 4.28Å; I223-I292 HydrophobicContact CB-CG2 4.48Å; I223-I292 HydrophobicContact CD1-CD1 4.33Å; I223-I292 HydrophobicContact CD1-CG2 4.25Å; I223-I292 HydrophobicContact CG1-CG2 4.02Å; I223-V296 HydrophobicContact CD1-CG2 4.05Å; I223-V296 HydrophobicContact CG1-CG2 4.35Å
224	S	90.1	Very high	77.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-72.6	-47.4	178.6	-57.4	0	0	0	0	111.8	L220 C221 L222 A227 L228 H293	L220-S224 WeakPolarHBondContact O-CB 3.42Å; L220-S224 PolarHBondContact O-N 3.46Å; L220-S224 VanDerWaalsContact O-N 3.15Å; L220-S224 PolarHBondContact O-OG 3.33Å; C221-S224 PolarHBondContact O-N 3.29Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 3.26Å; S224-A227 PolarHBondContact O-N 2.91Å; S224-L228 PolarHBondContact O-N 3.01Å; S224-H293 PolarHBondContact O-CE1 3.28Å; S224-H293 PolarHBondContact O-NE2 2.8Å
225	L	88.6	Confident	74.7	Confident	42 Å²	42	48.4 Å²	48.4	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-35.2	179	-68.3	174.6	0	0	0	112	C221 L222 A227 L228 N229 D317 L321	C221-L225 WeakPolarHBondContact O-CB 3.32Å; C221-L225 WeakPolarHBondContact O-CG 3.5Å; C221-L225 PolarHBondContact O-N 3.48Å; L222-L225 PolarHBondContact O-N 2.74Å; L225-A227 VanDerWaalsContact C-N 3.3Å; L225-A227 PolarHBondContact O-N 3.11Å; L225-L228 VanDerWaalsContact O-CB 3.31Å; L225-L228 WeakPolarHBondContact O-CB 3.18Å; L225-L228 PolarHBondContact O-N 2.95Å; L225-L228 VanDerWaalsContact O-N 3.16Å; L225-N229 PolarHBondContact O-N 3.04Å; L225-D317 HydrophobicContact CD1-CB 3.89Å; L225-L321 HydrophobicContact CD2-CD2 3.99Å; L225-L321 HydrophobicContact CD2-CG 4.29Å
226	S	84.5	Confident	71.7	Confident	14 Å²	14	49 Å²	49	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-35.5	174.6	70	0	0	0	0	112.7	L222 I223 L228 N229	L222-S226 VanDerWaalsContact O-CB 3.22Å; L222-S226 WeakPolarHBondContact O-CB 3.47Å; L222-S226 PolarHBondContact O-N 3.06Å; L222-S226 PolarHBondContact O-OG 2.76Å; L222-S226 VanDerWaalsContact O-OG 3.08Å; I223-S226 WeakPolarHBondContact CA-OG 2.91Å; I223-S226 PolarHBondContact O-OG 3.28Å; S226-L228 VanDerWaalsContact C-N 3.25Å; S226-L228 PolarHBondContact O-N 3.03Å; S226-N229 PolarHBondContact O-N 3.03Å
227	A	81.7	Confident	68.5	Low	1 Å²	1	53.5 Å²	53.5	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-27.1	175.9	0	0	0	0	0	112.5	I223 S224 L225 Y290	I223-A227 PolarHBondContact O-N 2.91Å; S224-A227 PolarHBondContact O-N 2.91Å; L225-A227 VanDerWaalsContact C-N 3.3Å; L225-A227 PolarHBondContact O-N 3.11Å; A227-Y290 HydrophobicContact CB-CD1 4.29Å; A227-Y290 HydrophobicContact CB-CG 4.31Å; A227-Y290 WeakPolarHBondContact O-CE2 3.39Å
228	L	76.4	Confident	65.2	Low	21 Å²	21	61.9 Å²	61.9	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-68.9	-47.4	176.2	-161.3	76.9	0	0	0	111.6	S224 L225 S226 N230 S231 V286 L324	S224-L228 PolarHBondContact O-N 3.01Å; L225-L228 VanDerWaalsContact O-CB 3.31Å; L225-L228 WeakPolarHBondContact O-CB 3.18Å; L225-L228 PolarHBondContact O-N 2.95Å; L225-L228 VanDerWaalsContact O-N 3.16Å; S226-L228 VanDerWaalsContact C-N 3.25Å; S226-L228 PolarHBondContact O-N 3.03Å; L228-N230 PolarHBondContact O-N 3.36Å; L228-S231 PolarHBondContact O-N 2.78Å; L228-S231 PolarHBondContact O-OG 3.37Å; L228-S231 VanDerWaalsContact O-OG 3.06Å; L228-V286 HydrophobicContact CD1-CB 4.21Å; L228-V286 HydrophobicContact CD1-CG1 3.93Å; L228-V286 HydrophobicContact CD1-CG2 3.87Å; L228-V286 HydrophobicContact CG-CG2 4.38Å; L228-L324 HydrophobicContact CD2-CD1 4.17Å
229	N	65.6	Low	62.3	Low	98 Å²	98	65.5 Å²	65.5	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-66.6	-22.2	-174.1	-68.5	-18.7	0	0	0	113.9	L225 S226 S231 D232	L225-N229 PolarHBondContact O-N 3.04Å; S226-N229 PolarHBondContact O-N 3.03Å; N229-S231 VanDerWaalsContact C-N 3.26Å; N229-S231 PolarHBondContact O-N 3.12Å; N229-D232 PolarHBondContact O-N 3.19Å
230	N	56.3	Low	59.2	Low	21 Å²	21	72 Å²	72	11%	0.112	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.9	179.2	-70.8	-16.3	0	0	0	113.5	L228 M255	L228-N230 PolarHBondContact O-N 3.36Å; N230-M255 PolarHBondContact ND2-O 2.95Å; N230-M255 PolarHBondContact ND2-SD 3.29Å; N230-M255 WeakPolarHBondContact OD1-CB 3.28Å; N230-M255 WeakPolarHBondContact OD1-CG 3.33Å; N230-M255 PolarHBondContact OD1-SD 3.37Å; N230-M255 VanDerWaalsContact OD1-SD 3.42Å
231	S	48.1	Very low	56.2	Low	37 Å²	37	80.9 Å²	80.9	26%	0.259	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-26.2	172.9	66.2	0	0	0	0	113.5	L228 N229	L228-S231 PolarHBondContact O-N 2.78Å; L228-S231 PolarHBondContact O-OG 3.37Å; L228-S231 VanDerWaalsContact O-OG 3.06Å; N229-S231 VanDerWaalsContact C-N 3.26Å; N229-S231 PolarHBondContact O-N 3.12Å
232	D	41	Very low	53.2	Low	85 Å²	85	88.1 Å²	88.1	46%	0.455	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-88.5	-18.3	-166.5	-68.7	-4.6	0	0	0	113.3	N229	N229-D232 PolarHBondContact O-N 3.19Å
233	N	36.6	Very low	50.3	Low	122 Å²	122	92.1 Å²	92.1	65%	0.652	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-92	0.8	-172.7	-74.9	-24.1	0	0	0	115.9	N235	N233-N235 PolarHBondContact O-N 2.9Å
234	N	34.1	Very low	47.6	Very low	117 Å²	117	97.3 Å²	97.3	63%	0.626	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-91	11.2	-177.3	-79.3	-22.9	0	0	0	115.2
235	N	29.2	Very low	44.6	Very low	154 Å²	154	103 Å²	103	82%	0.824	56%	0.562	S	S	*	*	S	Bend	trans	-134.7	45.4	-178.7	-78.5	-31.2	0	0	0	113.8	N233	N233-N235 PolarHBondContact O-N 2.9Å
236	T	30.3	Very low	41.8	Very low	122 Å²	122	104.8 Å²	104.8	75%	0.748	58%	0.577	S	S	*	*	S	Bend	trans	-147.9	122	162.3	35.1	0	0	0	0	112.3
237	S	28.5	Very low	39.2	Very low	96 Å²	96	107.5 Å²	107.5	67%	0.671	60%	0.596	S	S	*	*			trans	-35.6	125.2	171.6	51.6	0	0	0	0	116.5	I239	S237-I239 PolarHBondContact O-N 3.15Å; S237-I239 VanDerWaalsContact O-N 3.09Å
238	L	25.8	Very low	36.6	Very low	176 Å²	176	112.5 Å²	112.5	92%	0.921	63%	0.626	S	S	*	*				14.6	81.7	118	-82.8	154.3	0	0	0	115.8
239	I	31.5	Very low	34.6	Very low	150 Å²	150	117.9 Å²	117.9	77%	0.769	66%	0.655	S	S	*	*			trans	-147.5	113.4	154.4	-61	-173.5	0	0	0	109.8	S237	S237-I239 PolarHBondContact O-N 3.15Å; S237-I239 VanDerWaalsContact O-N 3.09Å
240	D	28.2	Very low	33.1	Very low	152 Å²	152	119.8 Å²	119.8	81%	0.813	66%	0.66	S	S	*	*			trans	-54.4	140.9	164.3	-85.6	-46.3	0	0	0	112.9
241	K	31.6	Very low	31.8	Very low	189 Å²	189	123.9 Å²	123.9	82%	0.822	68%	0.682	S	S	*	*			trans	-175.5	109.1	134.3	-100.7	160.7	-171.7	-177.7	0	112.2
242	H	30	Very low	31.2	Very low	157 Å²	157	126.1 Å²	126.1	73%	0.727	69%	0.691	S	S	*	*			trans	48.1	122.9	138.2	-76.2	-80.7	0	0	0	121.6
243	H	28.8	Very low	31.1	Very low	171 Å²	171	123.8 Å²	123.8	79%	0.792	68%	0.676	S	S	*	*			trans	62.9	90.1	144.4	-59.6	-58.4	0	0	0	119
244	S	32.1	Very low	30.8	Very low	119 Å²	119	125.2 Å²	125.2	83%	0.832	68%	0.684	S	S	*	*			trans	-166	138.9	135	40.8	0	0	0	0	109.4
245	S	27.3	Very low	31.1	Very low	118 Å²	118	122.2 Å²	122.2	83%	0.825	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-57.6	131.5	-177.3	-45	0	0	0	0	111.1	S247	S245-S247 PolarHBondContact O-N 3.19Å
246	P	29.8	Very low	31.5	Very low	80 Å²	80	121.4 Å²	121.4	52%	0.519	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-70.9	130.3	179.8	28.2	-30.7	0	0	0	109.5	Q250	P246-Q250 HydrophobicContact CB-CB 4.11Å
247	S	30.1	Very low	31.7	Very low	71 Å²	71	122.9 Å²	122.9	50%	0.497	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-62.2	153.2	174.1	71.8	0	0	0	0	110.7	S245 N249 Q250	S245-S247 PolarHBondContact O-N 3.19Å; S247-N249 PolarHBondContact O-N 3.45Å; S247-Q250 PolarHBondContact O-N 3.21Å
248	V	28.3	Very low	32.1	Very low	107 Å²	107	120.2 Å²	120.2	65%	0.648	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-49.6	-24.6	-177.7	176.3	0	0	0	0	113.6	Q250 L251 L252	V248-Q250 PolarHBondContact O-N 3.34Å; V248-L251 PolarHBondContact O-N 3.19Å; V248-L252 HydrophobicContact CG1-CD1 4.19Å
249	N	33.2	Very low	32.5	Very low	134 Å²	134	115.3 Å²	115.3	72%	0.717	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-70.6	-25.2	177	-67.6	-19.4	0	0	0	114.3	S247	S247-N249 PolarHBondContact O-N 3.45Å
250	Q	34.8	Very low	32.6	Very low	137 Å²	137	113 Å²	113	64%	0.64	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-82.8	-14.1	176.4	-79.4	174.5	-25.9	0	0	113.1	P246 S247 V248	P246-Q250 HydrophobicContact CB-CB 4.11Å; S247-Q250 PolarHBondContact O-N 3.21Å; V248-Q250 PolarHBondContact O-N 3.34Å
251	L	29.2	Very low	32.7	Very low	107 Å²	107	114.4 Å²	114.4	56%	0.56	60%	0.604	S	S	*	*	S	Bend	trans	-93.4	-11.4	179.6	-84.9	158.3	0	0	0	113.8	N139 V248	N139-L251 PolarHBondContact ND2-O 3.28Å; V248-L251 PolarHBondContact O-N 3.19Å
252	L	34.7	Very low	32.6	Very low	85 Å²	85	108.8 Å²	108.8	45%	0.445	59%	0.589	S	S	.	*	S	Bend	trans	-83.3	-16.3	-176.1	-109	96.2	0	0	0	114.5	V248	V248-L252 HydrophobicContact CG1-CD1 4.19Å
253	F	38.9	Very low	32.7	Very low	35 Å²	35	104.5 Å²	104.5	15%	0.154	57%	0.567	C	S	.	*			trans	-144.2	112.4	-178.9	-60.7	-85.9	0	0	0	111	M255	F253-M255 VanDerWaalsContact C-N 3.28Å; F253-M255 HydrophobicContact CB-CE 3.33Å; F253-M255 HydrophobicContact CB-CG 3.77Å; F253-M255 HydrophobicContact CB-SD 3.35Å; F253-M255 WeakPolarHBondContact CB-SD 3.33Å; F253-M255 HydrophobicContact CD1-CE 4.33Å; F253-M255 HydrophobicContact CD1-SD 4.5Å; F253-M255 HydrophobicContact CD2-CE 3.54Å; F253-M255 HydrophobicContact CE2-CE 4.44Å; F253-M255 HydrophobicContact CG-CE 3.49Å; F253-M255 VanDerWaalsContact CG-CE 3.49Å; F253-M255 HydrophobicContact CG-SD 3.95Å; F253-M255 WeakPolarHBondContact O-CG 3.49Å; F253-M255 PolarHBondContact O-N 3.25Å
254	N	30.9	Very low	32.7	Very low	152 Å²	152	105.7 Å²	105.7	81%	0.813	57%	0.566	S	S	*	*			trans	-66.5	98.1	153.3	-92.4	-7.5	0	0	0	106.6	D256	N254-D256 VanDerWaalsContact C-N 3.32Å; N254-D256 PolarHBondContact O-N 2.88Å
255	M	39.3	Very low	32.4	Very low	54 Å²	54	105.3 Å²	105.3	27%	0.266	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-78.1	-6.9	-165.7	-78.7	-58	-168.7	0	0	114.6	N230 F253 Q257	N230-M255 PolarHBondContact ND2-O 2.95Å; N230-M255 PolarHBondContact ND2-SD 3.29Å; N230-M255 WeakPolarHBondContact OD1-CB 3.28Å; N230-M255 WeakPolarHBondContact OD1-CG 3.33Å; N230-M255 PolarHBondContact OD1-SD 3.37Å; N230-M255 VanDerWaalsContact OD1-SD 3.42Å; F253-M255 VanDerWaalsContact C-N 3.28Å; F253-M255 HydrophobicContact CB-CE 3.33Å; F253-M255 HydrophobicContact CB-CG 3.77Å; F253-M255 HydrophobicContact CB-SD 3.35Å; F253-M255 WeakPolarHBondContact CB-SD 3.33Å; F253-M255 HydrophobicContact CD1-CE 4.33Å; F253-M255 HydrophobicContact CD1-SD 4.5Å; F253-M255 HydrophobicContact CD2-CE 3.54Å; F253-M255 HydrophobicContact CE2-CE 4.44Å; F253-M255 HydrophobicContact CG-CE 3.49Å; F253-M255 VanDerWaalsContact CG-CE 3.49Å; F253-M255 HydrophobicContact CG-SD 3.95Å; F253-M255 WeakPolarHBondContact O-CG 3.49Å; F253-M255 PolarHBondContact O-N 3.25Å; M255-Q257 PolarHBondContact O-N 2.95Å
256	D	38.2	Very low	32.3	Very low	138 Å²	138	104.4 Å²	104.4	74%	0.738	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-85.5	0.2	-167.4	-57.4	-25.7	0	0	0	115.9	N254	N254-D256 VanDerWaalsContact C-N 3.32Å; N254-D256 PolarHBondContact O-N 2.88Å
257	Q	34.5	Very low	32.5	Very low	153 Å²	153	107 Å²	107	72%	0.715	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-105	14	-173.3	-68.6	-172.2	-12	0	0	115.3	K184 M255	K184-Q257 PolarHBondContact NZ-O 2.99Å; K184-Q257 VanDerWaalsContact NZ-O 3.14Å; M255-Q257 PolarHBondContact O-N 2.95Å
258	W	37	Very low	32.3	Very low	40 Å²	40	111.5 Å²	111.5	15%	0.152	58%	0.584	C	S	.	*			trans	-99.6	27.4	-176.3	-69.2	74.1	0	0	0	113.4	Y290 I292	W258-Y290 HydrophobicContact CB-CE1 4.43Å; W258-Y290 WeakPolarHBondContact O-CE1 3.47Å; W258-I292 HydrophobicContact CE3-CD1 4.4Å; W258-I292 HydrophobicContact CH2-CD1 3.23Å; W258-I292 HydrophobicContact CH2-CG1 4.23Å; W258-I292 HydrophobicContact CZ3-CD1 3.12Å; W258-I292 HydrophobicContact CZ3-CG1 3.66Å
259	T	35.2	Very low	32.5	Very low	72 Å²	72	110.4 Å²	110.4	44%	0.442	58%	0.581	S	S	.	*			trans	-83.8	155.3	-179.9	57.6	0	0	0	0	113.4	E261	T259-E261 PolarHBondContact O-N 3.34Å
260	N	33.7	Very low	32.2	Very low	101 Å²	101	111.5 Å²	111.5	54%	0.54	59%	0.587	S	S	.	*	S	Bend	trans	-63.9	8	-171.6	-91.2	-21.5	0	0	0	117	S262	N260-S262 PolarHBondContact O-N 3.46Å
261	E	29.9	Very low	32	Very low	182 Å²	182	111 Å²	111	85%	0.85	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	7.4	-161.8	-69.5	-169.4	162.1	0	0	116.8	T259	T259-E261 PolarHBondContact O-N 3.34Å
262	S	29.5	Very low	31.9	Very low	71 Å²	71	113.7 Å²	113.7	50%	0.497	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.6	5.9	-179.5	59	0	0	0	0	117.3	N260	N260-S262 PolarHBondContact O-N 3.46Å
263	Y	30.5	Very low	31.8	Very low	68 Å²	68	114.6 Å²	114.6	27%	0.267	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.2	-28.5	-175.5	-83.4	-99.2	0	0	0	116.4	V94 R97	V94-Y263 HydrophobicContact CB-CE1 4.45Å; V94-Y263 HydrophobicContact CG1-CE1 4.39Å; V94-Y263 HydrophobicContact CG2-CD1 3.79Å; V94-Y263 HydrophobicContact CG2-CE1 3.3Å; R97-Y263 PolarHBondContact NH2-OH 3.02Å; R97-Y263 VanDerWaalsContact NH2-OH 3.09Å
264	Y	29.3	Very low	31.4	Very low	195 Å²	195	120.9 Å²	120.9	77%	0.765	65%	0.648	S	S	*	*	S	Bend	trans	-154.3	148.6	172.5	-82.3	-79.5	0	0	0	112.4
265	C	26.8	Very low	31.5	Very low	112 Å²	112	116.6 Å²	116.6	76%	0.757	63%	0.63	S	S	*	*			trans	-55.1	137.7	168.2	-83.2	0	0	0	0	110.3	D267	C265-D267 PolarHBondContact O-N 2.61Å
266	S	25.2	Very low	31.1	Very low	99 Å²	99	118.4 Å²	118.4	69%	0.692	65%	0.647	S	S	*	*			trans	-41.6	123.6	169.9	54.8	0	0	0	0	113.7
267	D	33.5	Very low	30.8	Very low	133 Å²	133	120.2 Å²	120.2	71%	0.711	65%	0.649	S	S	*	*			trans	-118.5	85.7	149.5	-82.1	-29.2	0	0	0	108.2	C265 S269	C265-D267 PolarHBondContact O-N 2.61Å; D267-S269 VanDerWaalsContact C-N 3.3Å; D267-S269 PolarHBondContact O-N 3.4Å; D267-S269 VanDerWaalsContact O-N 3.16Å
268	N	26.4	Very low	30.8	Very low	166 Å²	166	115.3 Å²	115.3	89%	0.888	64%	0.635	S	S	*	*			trans	-71.7	90.5	156.4	-89.7	-19.1	0	0	0	107.3
269	S	31.7	Very low	30.5	Very low	84 Å²	84	121.6 Å²	121.6	59%	0.587	66%	0.664	S	S	*	*			trans	-132.1	88.2	159	66	0	0	0	0	108.9	D267 N271	D267-S269 VanDerWaalsContact C-N 3.3Å; D267-S269 PolarHBondContact O-N 3.4Å; D267-S269 VanDerWaalsContact O-N 3.16Å; S269-N271 PolarHBondContact O-N 3.37Å
270	N	27.7	Very low	30.5	Very low	157 Å²	157	123.6 Å²	123.6	84%	0.84	68%	0.675	S	S	*	*			trans	-47.9	107.4	148.7	-81.8	-23.9	0	0	0	106.8
271	N	29.2	Very low	30.5	Very low	127 Å²	127	123.7 Å²	123.7	68%	0.679	68%	0.676	S	S	*	*			trans	-168.9	104.3	157.4	-88.4	-27.6	0	0	0	111.1	S269 T273	S269-N271 PolarHBondContact O-N 3.37Å; N271-T273 PolarHBondContact O-N 2.92Å
272	N	28	Very low	30.7	Very low	163 Å²	163	122.7 Å²	122.7	87%	0.872	68%	0.676	S	S	*	*			trans	9.1	101.2	148.6	-63.5	-25.9	0	0	0	116.5
273	T	32.7	Very low	31.1	Very low	104 Å²	104	123.3 Å²	123.3	64%	0.638	67%	0.673	S	S	*	*			trans	-121.1	138	153	41.3	0	0	0	0	108.1	N271 S275	N271-T273 PolarHBondContact O-N 2.92Å; T273-S275 PolarHBondContact O-N 2.74Å
274	D	31	Very low	31.3	Very low	168 Å²	168	122.9 Å²	122.9	90%	0.898	68%	0.679	S	S	*	*			trans	-46.3	98.1	-160.9	-71.1	-50.4	0	0	0	115.5
275	S	31.8	Very low	31.4	Very low	62 Å²	62	118.6 Å²	118.6	43%	0.434	68%	0.684	S	S	.	*			trans	-98.9	28.7	180	64.8	0	0	0	0	113.5	T273 F277 A278 K279	T273-S275 PolarHBondContact O-N 2.74Å; S275-F277 PolarHBondContact O-N 3.05Å; S275-A278 PolarHBondContact O-N 3.47Å; S275-A278 VanDerWaalsContact O-N 3.08Å; S275-K279 PolarHBondContact O-N 2.96Å
276	S	32.3	Very low	31.9	Very low	91 Å²	91	114.3 Å²	114.3	64%	0.636	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-21.6	-179.2	62.2	0	0	0	0	113	V280	S276-V280 WeakPolarHBondContact O-CG2 3.13Å
277	F	31	Very low	32.9	Very low	176 Å²	176	116.7 Å²	116.7	77%	0.772	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-33.5	174.3	-126.6	-92.9	0	0	0	114.2	S275 V280	S275-F277 PolarHBondContact O-N 3.05Å; F277-V280 PolarHBondContact O-N 3.39Å
278	A	34.1	Very low	33.7	Very low	51 Å²	51	111.7 Å²	111.7	42%	0.421	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-75.3	-28.7	178.4	0	0	0	0	0	112.3	S275 V280 N281	S275-A278 PolarHBondContact O-N 3.47Å; S275-A278 VanDerWaalsContact O-N 3.08Å; A278-V280 VanDerWaalsContact C-N 3.28Å; A278-V280 PolarHBondContact O-N 3.19Å; A278-N281 PolarHBondContact O-N 3.44Å
279	K	30.9	Very low	35	Very low	172 Å²	172	108 Å²	108	75%	0.748	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-68	-21	174.3	-99.4	178.8	176.3	174.7	0	114.4	S275	S275-K279 PolarHBondContact O-N 2.96Å
280	V	35.6	Very low	36.6	Very low	113 Å²	113	105.5 Å²	105.5	69%	0.685	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-81.6	-19.6	-179.7	177.8	0	0	0	0	111.8	S276 F277 A278	S276-V280 WeakPolarHBondContact O-CG2 3.13Å; F277-V280 PolarHBondContact O-N 3.39Å; A278-V280 VanDerWaalsContact C-N 3.28Å; A278-V280 PolarHBondContact O-N 3.19Å
281	N	34.4	Very low	39.2	Very low	104 Å²	104	100.5 Å²	100.5	56%	0.556	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	11.8	-170.3	-70.3	-14.7	0	0	0	115.7	A278 L283	A278-N281 PolarHBondContact O-N 3.44Å; N281-L283 HydrophobicContact CB-CD1 4.34Å; N281-L283 PolarHBondContact O-N 2.96Å; N281-L283 VanDerWaalsContact O-N 3.1Å
282	N	33.9	Very low	42	Very low	160 Å²	160	95 Å²	95	86%	0.856	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	31.5	179.9	-84.3	-10.9	0	0	0	114.6
283	L	36.7	Very low	45.1	Very low	84 Å²	84	87.2 Å²	87.2	44%	0.44	49%	0.488	S	S	.	.			trans	-84.7	129.8	176.4	-108.2	74.3	0	0	0	110.4	N281 L324	N281-L283 HydrophobicContact CB-CD1 4.34Å; N281-L283 PolarHBondContact O-N 2.96Å; N281-L283 VanDerWaalsContact O-N 3.1Å; L283-L324 HydrophobicContact CD2-CD2 3.37Å; L283-L324 HydrophobicContact CG-CD2 4.22Å
284	P	34.3	Very low	47.9	Very low	60 Å²	60	84.4 Å²	84.4	39%	0.39	47%	0.468	S	S	.	.			trans	-61.4	140.8	179.1	22	-28.6	0	0	0	110.8	V286	P284-V286 HydrophobicContact CB-CG2 3.88Å; P284-V286 HydrophobicContact CG-CG2 3.86Å; P284-V286 WeakPolarHBondContact O-CG2 3.47Å; P284-V286 PolarHBondContact O-N 3.4Å
285	A	32.4	Very low	50.8	Low	105 Å²	105	77.2 Å²	77.2	87%	0.868	43%	0.43	S	S	*	.			trans	-73.8	78.2	177	0	0	0	0	0	109.5
286	V	37.8	Very low	53.8	Low	21 Å²	21	74.3 Å²	74.3	13%	0.127	41%	0.41	C	S	.	.			trans	-87.5	124.6	-172.4	-172.6	0	0	0	0	110.9	L228 P284 L288	L228-V286 HydrophobicContact CD1-CB 4.21Å; L228-V286 HydrophobicContact CD1-CG1 3.93Å; L228-V286 HydrophobicContact CD1-CG2 3.87Å; L228-V286 HydrophobicContact CG-CG2 4.38Å; P284-V286 HydrophobicContact CB-CG2 3.88Å; P284-V286 HydrophobicContact CG-CG2 3.86Å; P284-V286 WeakPolarHBondContact O-CG2 3.47Å; P284-V286 PolarHBondContact O-N 3.4Å; V286-L288 HydrophobicContact CB-CD1 3.92Å; V286-L288 HydrophobicContact CB-CG 3.93Å; V286-L288 HydrophobicContact CG1-CD1 4.48Å; V286-L288 HydrophobicContact CG1-CG 3.93Å; V286-L288 WeakPolarHBondContact O-CD1 3.26Å; V286-L288 PolarHBondContact O-N 2.94Å
287	H	45.4	Very low	56.8	Low	150 Å²	150	70 Å²	70	69%	0.694	38%	0.379	S	S	*	.			trans	-62.6	75.1	165.2	-87.4	-88.2	0	0	0	110.6	E289	H287-E289 VanDerWaalsContact C-N 3.26Å; H287-E289 PolarHBondContact O-N 3.47Å
288	L	50.3	Low	59.9	Low	28 Å²	28	63.4 Å²	63.4	15%	0.147	35%	0.352	C	S	.	.			trans	-75.9	45.4	-165.4	-96.3	144.8	0	0	0	115.1	V286 L333	V286-L288 HydrophobicContact CB-CD1 3.92Å; V286-L288 HydrophobicContact CB-CG 3.93Å; V286-L288 HydrophobicContact CG1-CD1 4.48Å; V286-L288 HydrophobicContact CG1-CG 3.93Å; V286-L288 WeakPolarHBondContact O-CD1 3.26Å; V286-L288 PolarHBondContact O-N 2.94Å; L288-L333 HydrophobicContact CB-CD1 4.24Å; L288-L333 HydrophobicContact CD2-CD1 4.12Å; L288-L333 WeakPolarHBondContact O-CD1 3.32Å
289	E	54.1	Low	62.8	Low	89 Å²	89	61 Å²	61	42%	0.416	33%	0.332	S	S	.	.			trans	-117.6	47.4	167.4	-67.3	-163.7	167.9	0	0	112	H287 P291 S330	H287-E289 VanDerWaalsContact C-N 3.26Å; H287-E289 PolarHBondContact O-N 3.47Å; E289-P291 WeakPolarHBondContact O-CD 3.29Å; E289-S330 WeakPolarHBondContact OE1-CB 3.44Å; E289-S330 PolarHBondContact OE1-OG 3.29Å
290	Y	66	Low	66	Low	31 Å²	31	52.9 Å²	52.9	12%	0.122	30%	0.297	C	S	.	.			trans	-69	126.8	165.4	-85.4	-82	0	0	0	109.8	A227 W258 I292 H293 L294	A227-Y290 HydrophobicContact CB-CD1 4.29Å; A227-Y290 HydrophobicContact CB-CG 4.31Å; A227-Y290 WeakPolarHBondContact O-CE2 3.39Å; W258-Y290 HydrophobicContact CB-CE1 4.43Å; W258-Y290 WeakPolarHBondContact O-CE1 3.47Å; Y290-I292 PolarHBondContact O-N 2.88Å; Y290-H293 PolarHBondContact O-N 3.42Å; Y290-L294 PolarHBondContact O-N 3.43Å
291	P	80.9	Confident	68.9	Low	51 Å²	51	47.5 Å²	47.5	33%	0.331	26%	0.264	S	S	.	.	H	α-helix	trans	-52.5	-32.7	178.2	-29.5	35.6	0	0	0	113.7	E289 L294 L295	E289-P291 WeakPolarHBondContact O-CD 3.29Å; P291-L294 PolarHBondContact O-N 2.87Å; P291-L295 VanDerWaalsContact O-CG 3.27Å; P291-L295 WeakPolarHBondContact O-CG 3.34Å; P291-L295 PolarHBondContact O-N 3.06Å; P291-L295 VanDerWaalsContact O-N 3.07Å
292	I	88.9	Confident	71.8	Confident	11 Å²	11	42.6 Å²	42.6	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-48.1	176.4	-77.7	-158.7	0	0	0	112.7	T187 L191 I223 W258 Y290 L294 L295 V296	T187-I292 HydrophobicContact CG2-CD1 4.16Å; L191-I292 HydrophobicContact CD1-CG1 4.33Å; I223-I292 HydrophobicContact CB-CD1 4.28Å; I223-I292 HydrophobicContact CB-CG2 4.48Å; I223-I292 HydrophobicContact CD1-CD1 4.33Å; I223-I292 HydrophobicContact CD1-CG2 4.25Å; I223-I292 HydrophobicContact CG1-CG2 4.02Å; W258-I292 HydrophobicContact CE3-CD1 4.4Å; W258-I292 HydrophobicContact CH2-CD1 3.23Å; W258-I292 HydrophobicContact CH2-CG1 4.23Å; W258-I292 HydrophobicContact CZ3-CD1 3.12Å; W258-I292 HydrophobicContact CZ3-CG1 3.66Å; Y290-I292 PolarHBondContact O-N 2.88Å; I292-L294 PolarHBondContact O-N 3.35Å; I292-L295 PolarHBondContact O-N 2.82Å; I292-L295 VanDerWaalsContact O-N 3.12Å; I292-V296 HydrophobicContact CG2-CG2 3.88Å; I292-V296 WeakPolarHBondContact O-CB 3.3Å; I292-V296 VanDerWaalsContact O-CG2 3.29Å; I292-V296 WeakPolarHBondContact O-CG2 3.43Å; I292-V296 PolarHBondContact O-N 2.98Å
293	H	92.1	Very high	74.8	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-39	-179.7	-76.7	-94	0	0	0	110.7	S224 Y290 A297 W325 L333	S224-H293 PolarHBondContact O-CE1 3.28Å; S224-H293 PolarHBondContact O-NE2 2.8Å; Y290-H293 PolarHBondContact O-N 3.42Å; H293-A297 WeakPolarHBondContact O-CB 3.38Å; H293-A297 PolarHBondContact O-N 3.46Å; H293-W325 AromaticContact CG-NE1 3.8Å; H293-W325 AromaticContact ND1-CE2 3.8Å; H293-W325 AromaticContact ND1-CZ2 3.87Å; H293-W325 AromaticContact ND1-NE1 3.14Å; H293-W325 PolarHBondContact ND1-NE1 3.46Å; H293-W325 VanDerWaalsContact ND1-NE1 3.14Å; H293-L333 HydrophobicContact CB-CD1 4.29Å; H293-L333 HydrophobicContact CB-CD2 4.04Å
294	L	91.7	Very high	77.6	Confident	44 Å²	44	31 Å²	31	23%	0.23	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-45.3	176.1	-69.8	171	0	0	0	112.2	Y290 P291 I292 N298 H332 L333	Y290-L294 PolarHBondContact O-N 3.43Å; P291-L294 PolarHBondContact O-N 2.87Å; I292-L294 PolarHBondContact O-N 3.35Å; L294-N298 WeakPolarHBondContact O-CB 3.43Å; L294-N298 PolarHBondContact O-N 2.83Å; L294-H332 HydrophobicContact CD2-CB 3.41Å; L294-H332 VanDerWaalsContact CD2-CB 3.41Å; L294-L333 HydrophobicContact CD2-CD2 3.83Å; L294-L333 HydrophobicContact CD2-CG 3.84Å; L294-L333 HydrophobicContact CG-CD2 4.36Å
295	L	92.7	Very high	80.5	Confident	18 Å²	18	28.8 Å²	28.8	9%	0.094	16%	0.161	C	C	.	.	H	α-helix	trans	-68.8	-43.9	-179.5	-68.6	172.8	0	0	0	112.1	D188 L191 H192 I195 P291 I292 N298 F299	D188-L295 WeakPolarHBondContact OD1-CD1 3.22Å; L191-L295 HydrophobicContact CB-CB 4Å; L191-L295 HydrophobicContact CB-CD1 4.02Å; L191-L295 HydrophobicContact CD1-CB 3.92Å; L191-L295 HydrophobicContact CD1-CD1 3.87Å; L191-L295 HydrophobicContact CG-CB 4.46Å; H192-L295 VanDerWaalsContact CE1-CD2 3.46Å; H192-L295 WeakPolarHBondContact CE1-CD2 3.25Å; I195-L295 HydrophobicContact CD1-CB 4.06Å; I195-L295 HydrophobicContact CD1-CD2 3.5Å; I195-L295 HydrophobicContact CD1-CG 4.4Å; I195-L295 WeakPolarHBondContact CD1-O 3.45Å; P291-L295 VanDerWaalsContact O-CG 3.27Å; P291-L295 WeakPolarHBondContact O-CG 3.34Å; P291-L295 PolarHBondContact O-N 3.06Å; P291-L295 VanDerWaalsContact O-N 3.07Å; I292-L295 PolarHBondContact O-N 2.82Å; I292-L295 VanDerWaalsContact O-N 3.12Å; L295-N298 PolarHBondContact O-N 2.81Å; L295-F299 PolarHBondContact O-N 3.28Å
296	V	95.1	Very high	83.4	Confident	1 Å²	1	25 Å²	25	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-47	178.2	178.5	0	0	0	0	110.5	L191 L220 I223 I292 N298 F299 L300 W325	L191-V296 HydrophobicContact CD1-CG2 4.46Å; L191-V296 HydrophobicContact CD2-CG2 3.98Å; L220-V296 HydrophobicContact CB-CG1 4.1Å; L220-V296 HydrophobicContact CD2-CG1 4.35Å; L220-V296 HydrophobicContact CD2-CG2 4Å; I223-V296 HydrophobicContact CD1-CG2 4.05Å; I223-V296 HydrophobicContact CG1-CG2 4.35Å; I292-V296 HydrophobicContact CG2-CG2 3.88Å; I292-V296 WeakPolarHBondContact O-CB 3.3Å; I292-V296 VanDerWaalsContact O-CG2 3.29Å; I292-V296 WeakPolarHBondContact O-CG2 3.43Å; I292-V296 PolarHBondContact O-N 2.98Å; V296-N298 VanDerWaalsContact C-N 3.31Å; V296-N298 PolarHBondContact O-N 3.15Å; V296-F299 PolarHBondContact O-N 3.36Å; V296-L300 HydrophobicContact CG1-CD1 4.03Å; V296-L300 HydrophobicContact CG1-CG 4.26Å; V296-L300 WeakPolarHBondContact O-CG 3.47Å; V296-L300 PolarHBondContact O-N 2.73Å; V296-W325 HydrophobicContact CG1-CH2 4.13Å
297	A	95.6	Very high	86	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-39.7	177	0	0	0	0	0	111.7	H293 L300 A301 W325 L333 F336	H293-A297 WeakPolarHBondContact O-CB 3.38Å; H293-A297 PolarHBondContact O-N 3.46Å; A297-L300 PolarHBondContact O-N 3.08Å; A297-A301 WeakPolarHBondContact O-CB 3.36Å; A297-A301 PolarHBondContact O-N 2.9Å; A297-W325 HydrophobicContact CB-CD2 3.92Å; A297-W325 HydrophobicContact CB-CE3 3.76Å; A297-W325 HydrophobicContact CB-CH2 3.84Å; A297-W325 HydrophobicContact CB-CZ2 3.98Å; A297-W325 HydrophobicContact CB-CZ3 3.73Å; A297-L333 HydrophobicContact CB-CD2 3.84Å; A297-F336 HydrophobicContact CB-CB 3.82Å; A297-F336 HydrophobicContact CB-CD2 3.93Å; A297-F336 HydrophobicContact CB-CG 4.22Å
298	N	95.1	Very high	88.2	Confident	37 Å²	37	23.2 Å²	23.2	20%	0.198	13%	0.129	C	C	.	.	H	α-helix	trans	-64.3	-44.3	175.4	-171.7	-4	0	0	0	111.8	I195 L294 L295 V296 A301 N302 F336	I195-N298 HydrophobicContact CD1-CB 4.11Å; I195-N298 HydrophobicContact CG1-CB 4.31Å; L294-N298 WeakPolarHBondContact O-CB 3.43Å; L294-N298 PolarHBondContact O-N 2.83Å; L295-N298 PolarHBondContact O-N 2.81Å; V296-N298 VanDerWaalsContact C-N 3.31Å; V296-N298 PolarHBondContact O-N 3.15Å; N298-A301 PolarHBondContact O-N 3.23Å; N298-N302 PolarHBondContact O-N 3.48Å; N298-F336 HydrophobicContact CB-CD2 4.4Å; N298-F336 HydrophobicContact CB-CE1 4.15Å; N298-F336 HydrophobicContact CB-CE2 3.84Å; N298-F336 HydrophobicContact CB-CZ 3.71Å
299	F	96.1	Very high	90.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-49.8	174.7	172.1	-109.2	0	0	0	111.7	L194 I195 L207 L216 L220 L295 V296 A301 N302 I303	L194-F299 HydrophobicContact CB-CD2 3.6Å; L194-F299 HydrophobicContact CB-CE2 3.77Å; L194-F299 HydrophobicContact CB-CG 4.19Å; L194-F299 HydrophobicContact CB-CZ 4.49Å; L194-F299 HydrophobicContact CD2-CE2 3.92Å; L194-F299 HydrophobicContact CD2-CZ 4.08Å; L194-F299 HydrophobicContact CG-CE2 4.33Å; I195-F299 HydrophobicContact CG1-CB 3.97Å; L207-F299 HydrophobicContact CD2-CE2 4.17Å; L207-F299 HydrophobicContact CD2-CZ 3.82Å; L216-F299 HydrophobicContact CD2-CE1 4.38Å; L216-F299 HydrophobicContact CD2-CZ 4.14Å; L220-F299 HydrophobicContact CD1-CD1 3.56Å; L220-F299 HydrophobicContact CD1-CE1 3.45Å; L220-F299 VanDerWaalsContact CD1-CE1 3.45Å; L295-F299 PolarHBondContact O-N 3.28Å; V296-F299 PolarHBondContact O-N 3.36Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 3.5Å; F299-N302 WeakPolarHBondContact O-CB 3.23Å; F299-N302 PolarHBondContact O-N 2.73Å; F299-N302 VanDerWaalsContact O-N 3.1Å; F299-I303 HydrophobicContact CD2-CG2 4.15Å; F299-I303 HydrophobicContact CE1-CD1 4.03Å; F299-I303 HydrophobicContact CE1-CG2 4.29Å; F299-I303 HydrophobicContact CE2-CG2 3.68Å; F299-I303 HydrophobicContact CZ-CD1 4.35Å; F299-I303 HydrophobicContact CZ-CG2 3.78Å; F299-I303 WeakPolarHBondContact O-CG2 3.45Å; F299-I303 PolarHBondContact O-N 3.06Å; F299-I303 VanDerWaalsContact O-N 3.08Å
300	L	97.2	Very high	92	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-62.1	-37.4	178.5	-68.3	-178.2	0	0	0	112	I217 V296 A297 N302 I303 S304 L312 W325 I340	I217-L300 HydrophobicContact CD1-CD2 4.22Å; V296-L300 HydrophobicContact CG1-CD1 4.03Å; V296-L300 HydrophobicContact CG1-CG 4.26Å; V296-L300 WeakPolarHBondContact O-CG 3.47Å; V296-L300 PolarHBondContact O-N 2.73Å; A297-L300 PolarHBondContact O-N 3.08Å; L300-N302 VanDerWaalsContact C-N 3.3Å; L300-N302 PolarHBondContact O-N 2.68Å; L300-I303 HydrophobicContact CD2-CD1 3.7Å; L300-I303 HydrophobicContact CD2-CG1 4.43Å; L300-I303 WeakPolarHBondContact O-CG1 3.4Å; L300-I303 PolarHBondContact O-N 2.83Å; L300-S304 WeakPolarHBondContact O-CB 3.3Å; L300-S304 PolarHBondContact O-N 2.95Å; L300-L312 HydrophobicContact CD2-CD1 4.47Å; L300-W325 HydrophobicContact CD1-CH2 3.92Å; L300-W325 HydrophobicContact CD1-CZ3 3.92Å; L300-I340 HydrophobicContact CB-CD1 3.68Å; L300-I340 HydrophobicContact CB-CG1 4.3Å
301	A	96.6	Very high	93.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-30.1	175.3	0	0	0	0	0	113.1	A297 N298 F299 S304 F336 K339 I340	A297-A301 WeakPolarHBondContact O-CB 3.36Å; A297-A301 PolarHBondContact O-N 2.9Å; N298-A301 PolarHBondContact O-N 3.23Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 3.5Å; A301-S304 PolarHBondContact O-OG 2.89Å; A301-F336 HydrophobicContact CB-CB 4.21Å; A301-F336 HydrophobicContact CB-CD1 3.76Å; A301-F336 HydrophobicContact CB-CG 4.29Å; A301-K339 HydrophobicContact CB-CD 4.22Å; A301-I340 HydrophobicContact CB-CD1 4.25Å; A301-I340 HydrophobicContact CB-CG1 3.91Å
302	N	95.9	Very high	93.8	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-76.1	-41.2	174.1	-71.5	-8.8	0	0	0	112.2	I195 S198 N298 F299 L300 Q305 P367	I195-N302 PolarHBondContact O-ND2 2.86Å; S198-N302 WeakPolarHBondContact OG-CB 3.35Å; S198-N302 PolarHBondContact OG-ND2 3.38Å; N298-N302 PolarHBondContact O-N 3.48Å; F299-N302 WeakPolarHBondContact O-CB 3.23Å; F299-N302 PolarHBondContact O-N 2.73Å; F299-N302 VanDerWaalsContact O-N 3.1Å; L300-N302 VanDerWaalsContact C-N 3.3Å; L300-N302 PolarHBondContact O-N 2.68Å; N302-Q305 VanDerWaalsContact O-CG 3.25Å; N302-Q305 WeakPolarHBondContact O-CG 3.17Å; N302-Q305 PolarHBondContact O-NE2 3.04Å; N302-P367 HydrophobicContact CB-CG 4.13Å; N302-P367 VanDerWaalsContact OD1-CB 3.23Å; N302-P367 WeakPolarHBondContact OD1-CB 3.3Å; N302-P367 WeakPolarHBondContact OD1-CG 3.46Å
303	I	96.4	Very high	93.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-75.4	-24.9	-179.1	74.1	-179.8	0	0	0	112.3	L204 L207 F208 I217 F299 L300 Q305 H306 S309 L312	L204-I303 HydrophobicContact CD2-CB 4.13Å; L204-I303 HydrophobicContact CD2-CG2 3.65Å; L207-I303 HydrophobicContact CD2-CG2 3.91Å; F208-I303 HydrophobicContact CE2-CB 4.23Å; F208-I303 HydrophobicContact CZ-CB 4.01Å; F208-I303 HydrophobicContact CZ-CD1 4.42Å; F208-I303 HydrophobicContact CZ-CG1 4.32Å; I217-I303 HydrophobicContact CD1-CD1 4.45Å; F299-I303 HydrophobicContact CD2-CG2 4.15Å; F299-I303 HydrophobicContact CE1-CD1 4.03Å; F299-I303 HydrophobicContact CE1-CG2 4.29Å; F299-I303 HydrophobicContact CE2-CG2 3.68Å; F299-I303 HydrophobicContact CZ-CD1 4.35Å; F299-I303 HydrophobicContact CZ-CG2 3.78Å; F299-I303 WeakPolarHBondContact O-CG2 3.45Å; F299-I303 PolarHBondContact O-N 3.06Å; F299-I303 VanDerWaalsContact O-N 3.08Å; L300-I303 HydrophobicContact CD2-CD1 3.7Å; L300-I303 HydrophobicContact CD2-CG1 4.43Å; L300-I303 WeakPolarHBondContact O-CG1 3.4Å; L300-I303 PolarHBondContact O-N 2.83Å; I303-Q305 PolarHBondContact O-N 3.24Å; I303-Q305 VanDerWaalsContact O-N 3.11Å; I303-H306 WeakPolarHBondContact O-CB 3.31Å; I303-H306 PolarHBondContact O-N 3.41Å; I303-S309 WeakPolarHBondContact O-CB 3.1Å; I303-L312 HydrophobicContact CD1-CD1 3.91Å; I303-L312 HydrophobicContact CD1-CD2 4.47Å; I303-L312 HydrophobicContact CG1-CD1 4.1Å
304	S	96.1	Very high	93.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.3	179.2	72.9	0	0	0	0	113.6	L300 A301 H306 S309 N343 H347	L300-S304 WeakPolarHBondContact O-CB 3.3Å; L300-S304 PolarHBondContact O-N 2.95Å; A301-S304 PolarHBondContact O-OG 2.89Å; S304-H306 PolarHBondContact O-N 3.36Å; S304-S309 PolarHBondContact O-OG 3.04Å; S304-S309 VanDerWaalsContact O-OG 3.07Å; S304-N343 WeakPolarHBondContact O-CB 3.28Å; S304-N343 PolarHBondContact OG-ND2 2.72Å; S304-H347 PolarHBondContact O-CD2 3.34Å; S304-H347 PolarHBondContact O-NE2 3.23Å; S304-H347 VanDerWaalsContact O-NE2 3.1Å
305	Q	94.5	Very high	94	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.061	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.6	174.4	80.1	-176.9	-66.6	0	0	113	L204 N302 I303 H347 I364 C366 P367	L204-Q305 HydrophobicContact CD1-CG 3.77Å; N302-Q305 VanDerWaalsContact O-CG 3.25Å; N302-Q305 WeakPolarHBondContact O-CG 3.17Å; N302-Q305 PolarHBondContact O-NE2 3.04Å; I303-Q305 PolarHBondContact O-N 3.24Å; I303-Q305 VanDerWaalsContact O-N 3.11Å; Q305-H347 PolarHBondContact O-NE2 3.11Å; Q305-I364 HydrophobicContact CB-CG2 4.11Å; Q305-C366 PolarHBondContact OE1-SG 3.17Å; Q305-P367 VanDerWaalsContact NE2-CD 3.31Å
306	H	93.8	Very high	94	Very high	25 Å²	25	31.5 Å²	31.5	12%	0.116	17%	0.173	C	C	.	.	S	Bend	trans	-85.7	138.7	-173	-171.8	-93.4	0	0	0	110.9	L204 D205 F208 I303 S304 S308 S309 H347	L204-H306 HydrophobicContact CB-CB 4.31Å; L204-H306 HydrophobicContact CD1-CB 4.13Å; D205-H306 IonicContact OD1-CD2 2.67Å; D205-H306 IonicContact OD1-NE2 3.47Å; D205-H306 PolarHBondContact OD1-NE2 3.46Å; F208-H306 HydrophobicContact CD2-CB 4.13Å; F208-H306 AromaticContact CD2-CE1 3.83Å; F208-H306 AromaticContact CD2-CG 3.7Å; F208-H306 AromaticContact CD2-ND1 3.25Å; F208-H306 WeakPolarHBondContact CD2-ND1 3.42Å; F208-H306 HydrophobicContact CE2-CB 3.52Å; F208-H306 AromaticContact CE2-CG 3.64Å; F208-H306 AromaticContact CE2-ND1 3.51Å; F208-H306 AromaticContact CG-ND1 3.98Å; F208-H306 HydrophobicContact CZ-CB 4.31Å; I303-H306 WeakPolarHBondContact O-CB 3.31Å; I303-H306 PolarHBondContact O-N 3.41Å; S304-H306 PolarHBondContact O-N 3.36Å; H306-S308 VanDerWaalsContact C-N 3.31Å; H306-S308 PolarHBondContact CE1-OG 2.83Å; H306-S308 WeakPolarHBondContact ND1-CB 3.19Å; H306-S308 PolarHBondContact ND1-N 3.38Å; H306-S308 VanDerWaalsContact ND1-N 3.17Å; H306-S308 PolarHBondContact ND1-OG 2.99Å; H306-S308 PolarHBondContact O-N 3.32Å; H306-S309 WeakPolarHBondContact O-CB 3.1Å; H306-S309 PolarHBondContact O-N 3.39Å; H306-S309 PolarHBondContact O-OG 2.81Å; H306-H347 PolarHBondContact O-NE2 3.2Å
307	P	91.1	Very high	93.9	Very high	83 Å²	83	34.5 Å²	34.5	54%	0.539	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-55.5	-40	-178.4	-27.6	35.8	0	0	0	114.5	S309 S310	P307-S309 PolarHBondContact O-N 2.97Å; P307-S310 PolarHBondContact O-N 3.29Å; P307-S310 PolarHBondContact O-OG 2.86Å
308	S	92.1	Very high	93.8	Very high	52 Å²	52	34.5 Å²	34.5	36%	0.364	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-68	-3.9	177.5	-47.3	0	0	0	0	114.4	H306 S310 V311	H306-S308 VanDerWaalsContact C-N 3.31Å; H306-S308 PolarHBondContact CE1-OG 2.83Å; H306-S308 WeakPolarHBondContact ND1-CB 3.19Å; H306-S308 PolarHBondContact ND1-N 3.38Å; H306-S308 VanDerWaalsContact ND1-N 3.17Å; H306-S308 PolarHBondContact ND1-OG 2.99Å; H306-S308 PolarHBondContact O-N 3.32Å; S308-S310 PolarHBondContact O-N 2.82Å; S308-V311 WeakPolarHBondContact O-CG2 3.41Å; S308-V311 PolarHBondContact O-N 2.87Å
309	S	93.8	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-68.3	-14.1	174.2	69.1	0	0	0	0	113.3	I303 S304 H306 P307 V311 L312 L344 H347	I303-S309 WeakPolarHBondContact O-CB 3.1Å; S304-S309 PolarHBondContact O-OG 3.04Å; S304-S309 VanDerWaalsContact O-OG 3.07Å; H306-S309 WeakPolarHBondContact O-CB 3.1Å; H306-S309 PolarHBondContact O-N 3.39Å; H306-S309 PolarHBondContact O-OG 2.81Å; P307-S309 PolarHBondContact O-N 2.97Å; S309-V311 PolarHBondContact O-N 3.08Å; S309-L312 VanDerWaalsContact O-CB 3.23Å; S309-L312 WeakPolarHBondContact O-CB 3.48Å; S309-L312 VanDerWaalsContact O-CG 3.24Å; S309-L312 WeakPolarHBondContact O-CG 3.3Å; S309-L312 PolarHBondContact O-N 3.37Å; S309-L344 WeakPolarHBondContact O-CD2 3.3Å; S309-H347 PolarHBondContact OG-CD2 2.97Å
310	S	90.5	Very high	93.6	Very high	32 Å²	32	40 Å²	40	22%	0.224	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-53.4	-26.6	172.8	58.7	0	0	0	0	113.2	P307 S308 L312 N313	P307-S310 PolarHBondContact O-N 3.29Å; P307-S310 PolarHBondContact O-OG 2.86Å; S308-S310 PolarHBondContact O-N 2.82Å; S310-L312 PolarHBondContact O-N 3.48Å; S310-N313 WeakPolarHBondContact O-CB 3.42Å; S310-N313 PolarHBondContact O-N 2.83Å; S310-N313 VanDerWaalsContact O-N 3.09Å; S310-N313 PolarHBondContact O-ND2 2.8Å
311	V	92.1	Very high	93.4	Very high	60 Å²	60	39.9 Å²	39.9	36%	0.364	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-58.5	-26.8	173.5	-179.5	0	0	0	0	112.5	S308 S309 N313 N314 Y315	S308-V311 WeakPolarHBondContact O-CG2 3.41Å; S308-V311 PolarHBondContact O-N 2.87Å; S309-V311 PolarHBondContact O-N 3.08Å; V311-N313 PolarHBondContact O-N 2.96Å; V311-N314 WeakPolarHBondContact O-CB 3.44Å; V311-N314 PolarHBondContact O-N 2.9Å; V311-N314 VanDerWaalsContact O-N 3.14Å; V311-Y315 HydrophobicContact CG1-CE2 4.26Å; V311-Y315 WeakPolarHBondContact O-CD2 3.45Å
312	L	93.2	Very high	93.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63.8	-25.1	177.5	-60.3	177.9	0	0	0	112.7	F213 I217 L300 I303 S309 S310 N314 Y315 I318 L344	F213-L312 HydrophobicContact CE1-CD2 4.44Å; F213-L312 HydrophobicContact CZ-CD2 4.09Å; I217-L312 HydrophobicContact CD1-CD2 3.81Å; I217-L312 HydrophobicContact CG1-CD2 4.23Å; L300-L312 HydrophobicContact CD2-CD1 4.47Å; I303-L312 HydrophobicContact CD1-CD1 3.91Å; I303-L312 HydrophobicContact CD1-CD2 4.47Å; I303-L312 HydrophobicContact CG1-CD1 4.1Å; S309-L312 VanDerWaalsContact O-CB 3.23Å; S309-L312 WeakPolarHBondContact O-CB 3.48Å; S309-L312 VanDerWaalsContact O-CG 3.24Å; S309-L312 WeakPolarHBondContact O-CG 3.3Å; S309-L312 PolarHBondContact O-N 3.37Å; S310-L312 PolarHBondContact O-N 3.48Å; L312-N314 PolarHBondContact O-N 3.23Å; L312-Y315 PolarHBondContact O-N 3.5Å; L312-Y315 VanDerWaalsContact O-N 3.16Å; L312-I318 HydrophobicContact CB-CD1 4.1Å; L312-I318 HydrophobicContact CD2-CD1 3.67Å; L312-I318 HydrophobicContact CG-CD1 4.4Å; L312-L344 HydrophobicContact CB-CD1 4.31Å; L312-L344 HydrophobicContact CB-CD2 4.23Å; L312-L344 HydrophobicContact CD1-CD2 4.41Å
313	N	91.1	Very high	93.1	Very high	48 Å²	48	43.7 Å²	43.7	26%	0.257	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-63.2	-22.1	176.2	-69.8	-35	0	0	0	112.8	S310 V311 Y315 N319 S348	S310-N313 WeakPolarHBondContact O-CB 3.42Å; S310-N313 PolarHBondContact O-N 2.83Å; S310-N313 VanDerWaalsContact O-N 3.09Å; S310-N313 PolarHBondContact O-ND2 2.8Å; V311-N313 PolarHBondContact O-N 2.96Å; N313-Y315 VanDerWaalsContact C-N 3.26Å; N313-Y315 PolarHBondContact O-N 3.48Å; N313-N319 PolarHBondContact O-ND2 2.82Å; N313-S348 PolarHBondContact ND2-OG 2.86Å
314	N	91.8	Very high	92.9	Very high	137 Å²	137	45.1 Å²	45.1	73%	0.733	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-75.1	-15.2	179.3	-61.9	-19.3	0	0	0	112.8	V311 L312	V311-N314 WeakPolarHBondContact O-CB 3.44Å; V311-N314 PolarHBondContact O-N 2.9Å; V311-N314 VanDerWaalsContact O-N 3.14Å; L312-N314 PolarHBondContact O-N 3.23Å
315	Y	92.8	Very high	92.8	Very high	38 Å²	38	45.1 Å²	45.1	15%	0.149	25%	0.248	C	C	.	.			trans	-93.6	107.8	-178.6	-63.6	-97.7	0	0	0	110.2	E214 I217 V311 L312 N313 D317 I318 N319	E214-Y315 HydrophobicContact CG-CE1 4.44Å; I217-Y315 HydrophobicContact CB-CE1 4.32Å; I217-Y315 HydrophobicContact CG2-CD1 3.77Å; I217-Y315 HydrophobicContact CG2-CD2 4.29Å; I217-Y315 HydrophobicContact CG2-CE1 3.66Å; I217-Y315 HydrophobicContact CG2-CE2 4.2Å; I217-Y315 HydrophobicContact CG2-CG 4.08Å; V311-Y315 HydrophobicContact CG1-CE2 4.26Å; V311-Y315 WeakPolarHBondContact O-CD2 3.45Å; L312-Y315 PolarHBondContact O-N 3.5Å; L312-Y315 VanDerWaalsContact O-N 3.16Å; N313-Y315 VanDerWaalsContact C-N 3.26Å; N313-Y315 PolarHBondContact O-N 3.48Å; Y315-D317 PolarHBondContact O-N 3.29Å; Y315-I318 HydrophobicContact CD2-CD1 4.14Å; Y315-I318 HydrophobicContact CG-CD1 4.01Å; Y315-I318 HydrophobicContact CG-CG1 4.41Å; Y315-I318 PolarHBondContact O-N 3.33Å; Y315-I318 VanDerWaalsContact O-N 3.12Å; Y315-N319 PolarHBondContact O-N 3.12Å; Y315-N319 PolarHBondContact O-ND2 2.95Å
316	E	93.1	Very high	92.6	Very high	131 Å²	131	46.4 Å²	46.4	61%	0.612	25%	0.253	S	S	*	.	H	α-helix	trans	-55.9	-39.7	179.5	-165.7	-170.2	147.1	0	0	112.2	I318 N319 K320	E316-I318 PolarHBondContact O-N 3.39Å; E316-N319 PolarHBondContact O-N 3.03Å; E316-K320 WeakPolarHBondContact O-CG 3.39Å; E316-K320 PolarHBondContact O-N 3.36Å; E316-K320 WeakPolarHBondContact OE1-CE 3.48Å; E316-K320 IonicContact OE1-NZ 3.84Å; E316-K320 PolarHBondContact OE1-NZ 2.82Å
317	D	92.9	Very high	92.4	Very high	64 Å²	64	50.5 Å²	50.5	34%	0.342	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-35.5	179.7	-71.1	-20.4	0	0	0	113	C221 L225 Y315 K320 L321	C221-D317 HydrophobicContact CB-CB 4.14Å; L225-D317 HydrophobicContact CD1-CB 3.89Å; Y315-D317 PolarHBondContact O-N 3.29Å; D317-K320 PolarHBondContact O-N 3.41Å; D317-K320 IonicContact OD1-NZ 3.85Å; D317-L321 VanDerWaalsContact O-CG 3.3Å; D317-L321 WeakPolarHBondContact O-CG 3.23Å; D317-L321 PolarHBondContact O-N 2.95Å
318	I	94.3	Very high	92.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-45.1	173.8	-64.4	-175.1	0	0	0	109.8	I217 C221 L312 Y315 E316 K320 L321 I322	I217-I318 HydrophobicContact CG2-CD1 3.67Å; I217-I318 HydrophobicContact CG2-CG1 4.47Å; C221-I318 VanDerWaalsContact SG-CG1 3.52Å; L312-I318 HydrophobicContact CB-CD1 4.1Å; L312-I318 HydrophobicContact CD2-CD1 3.67Å; L312-I318 HydrophobicContact CG-CD1 4.4Å; Y315-I318 HydrophobicContact CD2-CD1 4.14Å; Y315-I318 HydrophobicContact CG-CD1 4.01Å; Y315-I318 HydrophobicContact CG-CG1 4.41Å; Y315-I318 PolarHBondContact O-N 3.33Å; Y315-I318 VanDerWaalsContact O-N 3.12Å; E316-I318 PolarHBondContact O-N 3.39Å; I318-K320 VanDerWaalsContact C-N 3.28Å; I318-K320 PolarHBondContact O-N 3.5Å; I318-L321 PolarHBondContact O-N 3.46Å; I318-L321 VanDerWaalsContact O-N 3.12Å; I318-I322 HydrophobicContact CG2-CD1 3.61Å; I318-I322 HydrophobicContact CG2-CG1 4.11Å; I318-I322 VanDerWaalsContact O-CG1 3.3Å; I318-I322 WeakPolarHBondContact O-CG1 3.5Å; I318-I322 PolarHBondContact O-N 3.36Å
319	N	93.8	Very high	92	Very high	61 Å²	61	48.7 Å²	48.7	33%	0.326	27%	0.274	S	S	.	.	H	α-helix	trans	-61.4	-37.6	178.7	-67.8	-34.2	0	0	0	111.9	N313 Y315 E316 S323	N313-N319 PolarHBondContact O-ND2 2.82Å; Y315-N319 PolarHBondContact O-N 3.12Å; Y315-N319 PolarHBondContact O-ND2 2.95Å; E316-N319 PolarHBondContact O-N 3.03Å; N319-S323 WeakPolarHBondContact O-CB 3.42Å; N319-S323 PolarHBondContact O-N 3.07Å; N319-S323 PolarHBondContact O-OG 3.22Å
320	K	92.8	Very high	91.7	Very high	91 Å²	91	48.8 Å²	48.8	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-49.4	171	-71.3	171	-174.9	158.5	0	111.5	E316 D317 I318 I322 S323 L324	E316-K320 WeakPolarHBondContact O-CG 3.39Å; E316-K320 PolarHBondContact O-N 3.36Å; E316-K320 WeakPolarHBondContact OE1-CE 3.48Å; E316-K320 IonicContact OE1-NZ 3.84Å; E316-K320 PolarHBondContact OE1-NZ 2.82Å; D317-K320 PolarHBondContact O-N 3.41Å; D317-K320 IonicContact OD1-NZ 3.85Å; I318-K320 VanDerWaalsContact C-N 3.28Å; I318-K320 PolarHBondContact O-N 3.5Å; K320-I322 PolarHBondContact O-N 2.96Å; K320-S323 PolarHBondContact O-N 2.95Å; K320-L324 VanDerWaalsContact O-CG 3.32Å; K320-L324 WeakPolarHBondContact O-CG 3.41Å; K320-L324 PolarHBondContact O-N 3.37Å
321	L	93.6	Very high	91.7	Very high	1 Å²	1	48 Å²	48	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-43.7	178.8	-72.4	170.3	0	0	0	112.4	L225 D317 I318 S323 L324 W325	L225-L321 HydrophobicContact CD2-CD2 3.99Å; L225-L321 HydrophobicContact CD2-CG 4.29Å; D317-L321 VanDerWaalsContact O-CG 3.3Å; D317-L321 WeakPolarHBondContact O-CG 3.23Å; D317-L321 PolarHBondContact O-N 2.95Å; I318-L321 PolarHBondContact O-N 3.46Å; I318-L321 VanDerWaalsContact O-N 3.12Å; L321-S323 VanDerWaalsContact C-N 3.35Å; L321-S323 PolarHBondContact O-N 3.28Å; L321-L324 WeakPolarHBondContact O-CB 3.21Å; L321-L324 PolarHBondContact O-N 2.7Å; L321-W325 HydrophobicContact CB-CD2 4.44Å; L321-W325 HydrophobicContact CB-CE3 4.42Å; L321-W325 HydrophobicContact CB-CH2 3.99Å; L321-W325 HydrophobicContact CB-CZ2 4.03Å; L321-W325 HydrophobicContact CB-CZ3 4.2Å; L321-W325 HydrophobicContact CD1-CH2 4.31Å; L321-W325 HydrophobicContact CD1-CZ2 4.4Å; L321-W325 HydrophobicContact CD2-CZ2 4.18Å; L321-W325 HydrophobicContact CG-CZ2 4.44Å; L321-W325 WeakPolarHBondContact O-CB 3.36Å; L321-W325 VanDerWaalsContact O-CD2 3.29Å; L321-W325 PolarHBondContact O-N 2.98Å
322	I	93.8	Very high	91.7	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-47.4	175.8	-69	166.6	0	0	0	110.3	I318 K320 L324 W325 K326 I340 D341 L344	I318-I322 HydrophobicContact CG2-CD1 3.61Å; I318-I322 HydrophobicContact CG2-CG1 4.11Å; I318-I322 VanDerWaalsContact O-CG1 3.3Å; I318-I322 WeakPolarHBondContact O-CG1 3.5Å; I318-I322 PolarHBondContact O-N 3.36Å; K320-I322 PolarHBondContact O-N 2.96Å; I322-L324 VanDerWaalsContact C-N 3.31Å; I322-L324 PolarHBondContact O-N 3.39Å; I322-W325 PolarHBondContact O-N 2.88Å; I322-K326 HydrophobicContact CG2-CD 4.02Å; I322-K326 HydrophobicContact CG2-CG 4.39Å; I322-K326 WeakPolarHBondContact O-CG 3.36Å; I322-K326 PolarHBondContact O-N 3.29Å; I322-I340 HydrophobicContact CD1-CB 4.43Å; I322-I340 HydrophobicContact CD1-CG2 3.47Å; I322-I340 VanDerWaalsContact CD1-CG2 3.47Å; I322-I340 HydrophobicContact CG1-CB 4.4Å; I322-I340 HydrophobicContact CG1-CG2 3.85Å; I322-D341 HydrophobicContact CG2-CB 3.82Å; I322-L344 HydrophobicContact CD1-CD1 3.89Å
323	S	92.3	Very high	91.7	Very high	76 Å²	76	48.2 Å²	48.2	53%	0.531	27%	0.265	S	S	.	.	H	α-helix	trans	-60.2	-42	179.2	-60.2	0	0	0	0	111.6	N319 K320 L321	N319-S323 WeakPolarHBondContact O-CB 3.42Å; N319-S323 PolarHBondContact O-N 3.07Å; N319-S323 PolarHBondContact O-OG 3.22Å; K320-S323 PolarHBondContact O-N 2.95Å; L321-S323 VanDerWaalsContact C-N 3.35Å; L321-S323 PolarHBondContact O-N 3.28Å
324	L	92.2	Very high	91.8	Very high	29 Å²	29	46.8 Å²	46.8	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-44.8	174.5	-72.4	167.5	0	0	0	112.4	L228 L283 K320 L321 I322 V327 S328	L228-L324 HydrophobicContact CD2-CD1 4.17Å; L283-L324 HydrophobicContact CD2-CD2 3.37Å; L283-L324 HydrophobicContact CG-CD2 4.22Å; K320-L324 VanDerWaalsContact O-CG 3.32Å; K320-L324 WeakPolarHBondContact O-CG 3.41Å; K320-L324 PolarHBondContact O-N 3.37Å; L321-L324 WeakPolarHBondContact O-CB 3.21Å; L321-L324 PolarHBondContact O-N 2.7Å; I322-L324 VanDerWaalsContact C-N 3.31Å; I322-L324 PolarHBondContact O-N 3.39Å; L324-V327 WeakPolarHBondContact O-CG2 3.32Å; L324-V327 PolarHBondContact O-N 3.22Å; L324-S328 PolarHBondContact O-N 3.41Å
325	W	93	Very high	91.9	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-39.1	-178	-68.2	-23.4	0	0	0	112.7	H293 V296 A297 L300 L321 I322 V327 S328 L333 N334 I340	H293-W325 AromaticContact CG-NE1 3.8Å; H293-W325 AromaticContact ND1-CE2 3.8Å; H293-W325 AromaticContact ND1-CZ2 3.87Å; H293-W325 AromaticContact ND1-NE1 3.14Å; H293-W325 PolarHBondContact ND1-NE1 3.46Å; H293-W325 VanDerWaalsContact ND1-NE1 3.14Å; V296-W325 HydrophobicContact CG1-CH2 4.13Å; A297-W325 HydrophobicContact CB-CD2 3.92Å; A297-W325 HydrophobicContact CB-CE3 3.76Å; A297-W325 HydrophobicContact CB-CH2 3.84Å; A297-W325 HydrophobicContact CB-CZ2 3.98Å; A297-W325 HydrophobicContact CB-CZ3 3.73Å; L300-W325 HydrophobicContact CD1-CH2 3.92Å; L300-W325 HydrophobicContact CD1-CZ3 3.92Å; L321-W325 HydrophobicContact CB-CD2 4.44Å; L321-W325 HydrophobicContact CB-CE3 4.42Å; L321-W325 HydrophobicContact CB-CH2 3.99Å; L321-W325 HydrophobicContact CB-CZ2 4.03Å; L321-W325 HydrophobicContact CB-CZ3 4.2Å; L321-W325 HydrophobicContact CD1-CH2 4.31Å; L321-W325 HydrophobicContact CD1-CZ2 4.4Å; L321-W325 HydrophobicContact CD2-CZ2 4.18Å; L321-W325 HydrophobicContact CG-CZ2 4.44Å; L321-W325 WeakPolarHBondContact O-CB 3.36Å; L321-W325 VanDerWaalsContact O-CD2 3.29Å; L321-W325 PolarHBondContact O-N 2.98Å; I322-W325 PolarHBondContact O-N 2.88Å; W325-V327 PolarHBondContact O-N 3.47Å; W325-S328 WeakPolarHBondContact O-CB 3.36Å; W325-S328 PolarHBondContact O-N 2.82Å; W325-L333 HydrophobicContact CB-CB 4.24Å; W325-L333 HydrophobicContact CG-CB 4.33Å; W325-L333 HydrophobicContact CG-CD2 4.23Å; W325-L333 CarbonylContact O-C 3.58Å; W325-N334 VanDerWaalsContact O-CA 3.26Å; W325-N334 WeakPolarHBondContact O-CA 3.44Å; W325-N334 PolarHBondContact O-N 3.04Å; W325-I340 HydrophobicContact CE3-CD1 4.17Å; W325-I340 HydrophobicContact CZ3-CD1 3.98Å
326	K	91	Very high	92	Very high	39 Å²	39	39.1 Å²	39.1	17%	0.17	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-30.2	177.2	-76.7	178.9	64.9	179.1	0	113.8	I322 N334 D341	I322-K326 HydrophobicContact CG2-CD 4.02Å; I322-K326 HydrophobicContact CG2-CG 4.39Å; I322-K326 WeakPolarHBondContact O-CG 3.36Å; I322-K326 PolarHBondContact O-N 3.29Å; K326-N334 PolarHBondContact O-ND2 2.98Å; K326-D341 HydrophobicContact CD-CB 3.86Å; K326-D341 IonicContact NZ-OD2 3.88Å; K326-D341 PolarHBondContact NZ-OD2 2.9Å
327	V	89	Confident	92	Very high	112 Å²	112	32.9 Å²	32.9	68%	0.679	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	4.1	177.5	-58.3	0	0	0	0	112.9	L324 W325	L324-V327 WeakPolarHBondContact O-CG2 3.32Å; L324-V327 PolarHBondContact O-N 3.22Å; W325-V327 PolarHBondContact O-N 3.47Å
328	S	88.4	Confident	92.1	Very high	10 Å²	10	30.8 Å²	30.8	7%	0.07	18%	0.18	C	C	.	.			trans	-66.8	137.8	-179.8	-176.2	0	0	0	0	111.4	L324 W325 S330	L324-S328 PolarHBondContact O-N 3.41Å; W325-S328 WeakPolarHBondContact O-CB 3.36Å; W325-S328 PolarHBondContact O-N 2.82Å; S328-S330 PolarHBondContact O-N 3.37Å; S328-S330 PolarHBondContact OG-N 2.88Å; S328-S330 VanDerWaalsContact OG-N 3.11Å
329	A	86.7	Confident	92.1	Very high	86 Å²	86	31.1 Å²	31.1	71%	0.711	18%	0.181	S	C	*	.	S	Bend	trans	-66	-15.1	169.2	0	0	0	0	0	112.6	L331 K416	A329-L331 PolarHBondContact O-N 3.27Å; A329-K416 PolarHBondContact O-NZ 2.92Å
330	S	88.3	Confident	92.2	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.021	17%	0.166	C	C	.	.	S	Bend	trans	-77.3	118.1	173.8	-169.5	0	0	0	0	110.1	E289 S328 H332 L333 N334	E289-S330 WeakPolarHBondContact OE1-CB 3.44Å; E289-S330 PolarHBondContact OE1-OG 3.29Å; S328-S330 PolarHBondContact O-N 3.37Å; S328-S330 PolarHBondContact OG-N 2.88Å; S328-S330 VanDerWaalsContact OG-N 3.11Å; S330-H332 PolarHBondContact O-N 2.82Å; S330-L333 PolarHBondContact O-N 2.71Å; S330-N334 WeakPolarHBondContact O-CB 3.41Å; S330-N334 PolarHBondContact O-N 3.14Å
331	L	90.5	Very high	92.2	Very high	15 Å²	15	25.3 Å²	25.3	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-55	-37.4	178.1	179.9	68.4	0	0	0	111.8	A329 L335 F397 K416 C417	A329-L331 PolarHBondContact O-N 3.27Å; L331-L335 HydrophobicContact CD1-CD1 3.89Å; L331-L335 HydrophobicContact CD1-CG 3.96Å; L331-L335 HydrophobicContact CG-CD1 3.96Å; L331-L335 HydrophobicContact CG-CG 4.3Å; L331-L335 WeakPolarHBondContact O-CB 2.93Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.34Å; L331-L335 PolarHBondContact O-N 2.82Å; L331-F397 HydrophobicContact CD2-CD1 4.44Å; L331-F397 HydrophobicContact CG-CD1 4.39Å; L331-K416 HydrophobicContact CB-CB 4.19Å; L331-K416 HydrophobicContact CB-CD 4.25Å; L331-K416 HydrophobicContact CD2-CB 4.15Å; L331-C417 HydrophobicContact CD1-CB 3.95Å; L331-C417 HydrophobicContact CD2-CB 3.77Å
332	H	91.6	Very high	92.2	Very high	64 Å²	64	26.3 Å²	26.3	30%	0.296	16%	0.159	S	C	.	.	H	α-helix	trans	-62.3	-53.6	178.6	-67.2	88.9	0	0	0	111.5	L294 S330 N334 L335 F336 F397	L294-H332 HydrophobicContact CD2-CB 3.41Å; L294-H332 VanDerWaalsContact CD2-CB 3.41Å; S330-H332 PolarHBondContact O-N 2.82Å; H332-N334 VanDerWaalsContact C-N 3.35Å; H332-N334 PolarHBondContact O-N 2.7Å; H332-L335 PolarHBondContact O-N 3.08Å; H332-F336 HydrophobicContact CB-CD2 4.4Å; H332-F336 HydrophobicContact CB-CE2 4.1Å; H332-F336 WeakPolarHBondContact O-CB 3.36Å; H332-F336 WeakPolarHBondContact O-CD2 3.25Å; H332-F336 WeakPolarHBondContact O-CG 3.42Å; H332-F336 PolarHBondContact O-N 2.84Å; H332-F397 HydrophobicContact CB-CD1 4.34Å; H332-F397 HydrophobicContact CB-CE1 4.28Å; H332-F397 AromaticContact CD2-CD1 3.39Å; H332-F397 WeakPolarHBondContact CD2-CD1 3.41Å; H332-F397 AromaticContact CD2-CD2 3.44Å; H332-F397 VanDerWaalsContact CD2-CD2 3.44Å; H332-F397 WeakPolarHBondContact CD2-CD2 3.41Å; H332-F397 AromaticContact CD2-CE1 3.7Å; H332-F397 AromaticContact CD2-CE2 3.77Å; H332-F397 AromaticContact CD2-CG 3.25Å; H332-F397 WeakPolarHBondContact CD2-CG 3.22Å; H332-F397 AromaticContact CD2-CZ 3.88Å; H332-F397 AromaticContact CE1-CG 3.87Å; H332-F397 AromaticContact CG-CD1 3.73Å; H332-F397 AromaticContact CG-CG 3.98Å; H332-F397 WeakPolarHBondContact NE2-CB 3.34Å; H332-F397 AromaticContact NE2-CD1 3.77Å; H332-F397 AromaticContact NE2-CD2 3.45Å; H332-F397 WeakPolarHBondContact NE2-CD2 3.32Å; H332-F397 AromaticContact NE2-CG 3.19Å; H332-F397 WeakPolarHBondContact NE2-CG 3.39Å
333	L	92.6	Very high	92.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-40.2	179.7	-67.8	-179.3	0	0	0	111.5	L288 H293 L294 A297 W325 S330 F336 G337	L288-L333 HydrophobicContact CB-CD1 4.24Å; L288-L333 HydrophobicContact CD2-CD1 4.12Å; L288-L333 WeakPolarHBondContact O-CD1 3.32Å; H293-L333 HydrophobicContact CB-CD1 4.29Å; H293-L333 HydrophobicContact CB-CD2 4.04Å; L294-L333 HydrophobicContact CD2-CD2 3.83Å; L294-L333 HydrophobicContact CD2-CG 3.84Å; L294-L333 HydrophobicContact CG-CD2 4.36Å; A297-L333 HydrophobicContact CB-CD2 3.84Å; W325-L333 HydrophobicContact CB-CB 4.24Å; W325-L333 HydrophobicContact CG-CB 4.33Å; W325-L333 HydrophobicContact CG-CD2 4.23Å; W325-L333 CarbonylContact O-C 3.58Å; S330-L333 PolarHBondContact O-N 2.71Å; L333-F336 PolarHBondContact O-N 2.91Å; L333-G337 PolarHBondContact O-N 3.3Å
334	N	92.8	Very high	92.3	Very high	19 Å²	19	22.6 Å²	22.6	10%	0.102	13%	0.134	C	C	.	.	H	α-helix	trans	-56.5	-53.5	175	177.4	-92.3	0	0	0	111	W325 K326 S330 H332 F336 G337 S338	W325-N334 VanDerWaalsContact O-CA 3.26Å; W325-N334 WeakPolarHBondContact O-CA 3.44Å; W325-N334 PolarHBondContact O-N 3.04Å; K326-N334 PolarHBondContact O-ND2 2.98Å; S330-N334 WeakPolarHBondContact O-CB 3.41Å; S330-N334 PolarHBondContact O-N 3.14Å; H332-N334 VanDerWaalsContact C-N 3.35Å; H332-N334 PolarHBondContact O-N 2.7Å; N334-F336 PolarHBondContact O-N 2.76Å; N334-G337 PolarHBondContact O-N 2.97Å; N334-S338 WeakPolarHBondContact O-CB 3.39Å; N334-S338 PolarHBondContact O-N 2.97Å; N334-S338 PolarHBondContact O-OG 3.42Å
335	L	93.5	Very high	92.2	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-36.3	-179.4	-67.5	-177.7	0	0	0	112.9	L331 H332 K339 Y370 N371 L372 V396 F397	L331-L335 HydrophobicContact CD1-CD1 3.89Å; L331-L335 HydrophobicContact CD1-CG 3.96Å; L331-L335 HydrophobicContact CG-CD1 3.96Å; L331-L335 HydrophobicContact CG-CG 4.3Å; L331-L335 WeakPolarHBondContact O-CB 2.93Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.34Å; L331-L335 PolarHBondContact O-N 2.82Å; H332-L335 PolarHBondContact O-N 3.08Å; L335-K339 WeakPolarHBondContact O-CB 2.79Å; L335-K339 PolarHBondContact O-N 3.19Å; L335-Y370 HydrophobicContact CB-CD1 4.19Å; L335-N371 WeakPolarHBondContact CD2-O 3.21Å; L335-L372 HydrophobicContact CD1-CD2 3.8Å; L335-L372 HydrophobicContact CD2-CD2 4.05Å; L335-V396 HydrophobicContact CD1-CG1 4.38Å; L335-F397 HydrophobicContact CB-CE1 4.21Å; L335-F397 HydrophobicContact CD1-CD1 4.1Å; L335-F397 HydrophobicContact CD1-CE1 3.8Å
336	F	95.1	Very high	92	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-66.7	-47.9	174	-67.6	-39.8	0	0	0	111.5	A297 N298 A301 H332 L333 N334 S338 K339 I340 Y370 F397	A297-F336 HydrophobicContact CB-CB 3.82Å; A297-F336 HydrophobicContact CB-CD2 3.93Å; A297-F336 HydrophobicContact CB-CG 4.22Å; N298-F336 HydrophobicContact CB-CD2 4.4Å; N298-F336 HydrophobicContact CB-CE1 4.15Å; N298-F336 HydrophobicContact CB-CE2 3.84Å; N298-F336 HydrophobicContact CB-CZ 3.71Å; A301-F336 HydrophobicContact CB-CB 4.21Å; A301-F336 HydrophobicContact CB-CD1 3.76Å; A301-F336 HydrophobicContact CB-CG 4.29Å; H332-F336 HydrophobicContact CB-CD2 4.4Å; H332-F336 HydrophobicContact CB-CE2 4.1Å; H332-F336 WeakPolarHBondContact O-CB 3.36Å; H332-F336 WeakPolarHBondContact O-CD2 3.25Å; H332-F336 WeakPolarHBondContact O-CG 3.42Å; H332-F336 PolarHBondContact O-N 2.84Å; L333-F336 PolarHBondContact O-N 2.91Å; N334-F336 PolarHBondContact O-N 2.76Å; F336-S338 PolarHBondContact O-N 3.33Å; F336-K339 PolarHBondContact O-N 2.94Å; F336-I340 WeakPolarHBondContact O-CD1 3.21Å; F336-I340 WeakPolarHBondContact O-CG1 3.14Å; F336-I340 PolarHBondContact O-N 3.46Å; F336-Y370 HydrophobicContact CD1-CE1 4.13Å; F336-Y370 AromaticContact CE1-CE1 3.87Å; F336-Y370 HydrophobicContact CE1-CE1 3.87Å; F336-F397 AromaticContact CE1-CZ 3.93Å; F336-F397 HydrophobicContact CE1-CZ 3.93Å; F336-F397 HydrophobicContact CZ-CE2 4.36Å; F336-F397 AromaticContact CZ-CZ 3.85Å; F336-F397 HydrophobicContact CZ-CZ 3.85Å
337	G	94.1	Very high	92	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.7	-47.4	177.6	0	0	0	0	0	111.9	L333 N334 I340 D341	L333-G337 PolarHBondContact O-N 3.3Å; N334-G337 PolarHBondContact O-N 2.97Å; G337-I340 PolarHBondContact O-N 3.3Å; G337-D341 WeakPolarHBondContact O-CB 3.42Å; G337-D341 PolarHBondContact O-N 3.45Å
338	S	93.8	Very high	91.9	Very high	21 Å²	21	20 Å²	20	15%	0.147	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-38.1	176.4	-67.1	0	0	0	0	112.4	N334 F336 H342 N376	N334-S338 WeakPolarHBondContact O-CB 3.39Å; N334-S338 PolarHBondContact O-N 2.97Å; N334-S338 PolarHBondContact O-OG 3.42Å; F336-S338 PolarHBondContact O-N 3.33Å; S338-H342 VanDerWaalsContact O-CB 3.23Å; S338-H342 WeakPolarHBondContact O-CB 3.38Å; S338-H342 PolarHBondContact O-N 3.41Å; S338-N376 PolarHBondContact OG-OD1 3.39Å
339	K	94.6	Very high	91.7	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-46.1	174.9	-175.8	-179.7	-57.2	-168.6	0	111.9	A301 L335 F336 N343 C366 P367 V369 Y370	A301-K339 HydrophobicContact CB-CD 4.22Å; L335-K339 WeakPolarHBondContact O-CB 2.79Å; L335-K339 PolarHBondContact O-N 3.19Å; F336-K339 PolarHBondContact O-N 2.94Å; K339-N343 WeakPolarHBondContact O-CB 3.16Å; K339-N343 PolarHBondContact O-N 3.02Å; K339-C366 PolarHBondContact NZ-O 3.31Å; K339-P367 PolarHBondContact NZ-O 3.45Å; K339-V369 WeakPolarHBondContact CE-O 3.35Å; K339-V369 PolarHBondContact NZ-O 2.94Å; K339-Y370 VanDerWaalsContact CE-CD1 3.47Å
340	I	95.5	Very high	91.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.5	-53.9	178.6	-63.5	159.6	0	0	0	109.5	L300 A301 I322 W325 F336 G337 H342 N343 L344	L300-I340 HydrophobicContact CB-CD1 3.68Å; L300-I340 HydrophobicContact CB-CG1 4.3Å; A301-I340 HydrophobicContact CB-CD1 4.25Å; A301-I340 HydrophobicContact CB-CG1 3.91Å; I322-I340 HydrophobicContact CD1-CB 4.43Å; I322-I340 HydrophobicContact CD1-CG2 3.47Å; I322-I340 VanDerWaalsContact CD1-CG2 3.47Å; I322-I340 HydrophobicContact CG1-CB 4.4Å; I322-I340 HydrophobicContact CG1-CG2 3.85Å; W325-I340 HydrophobicContact CE3-CD1 4.17Å; W325-I340 HydrophobicContact CZ3-CD1 3.98Å; F336-I340 WeakPolarHBondContact O-CD1 3.21Å; F336-I340 WeakPolarHBondContact O-CG1 3.14Å; F336-I340 PolarHBondContact O-N 3.46Å; G337-I340 PolarHBondContact O-N 3.3Å; I340-H342 VanDerWaalsContact C-N 3.33Å; I340-H342 PolarHBondContact O-N 2.92Å; I340-N343 PolarHBondContact O-N 3.37Å; I340-L344 HydrophobicContact CG2-CD1 3.64Å; I340-L344 HydrophobicContact CG2-CG 4.16Å; I340-L344 WeakPolarHBondContact O-CB 3.38Å; I340-L344 VanDerWaalsContact O-CG 3.24Å; I340-L344 WeakPolarHBondContact O-CG 3.33Å; I340-L344 PolarHBondContact O-N 3.4Å
341	D	94	Very high	91	Very high	30 Å²	30	27.4 Å²	27.4	16%	0.16	14%	0.142	C	C	.	.	H	α-helix	trans	-56.2	-45.6	-179.9	-178.2	58.7	0	0	0	112.3	I322 K326 G337 K345	I322-D341 HydrophobicContact CG2-CB 3.82Å; K326-D341 HydrophobicContact CD-CB 3.86Å; K326-D341 IonicContact NZ-OD2 3.88Å; K326-D341 PolarHBondContact NZ-OD2 2.9Å; G337-D341 WeakPolarHBondContact O-CB 3.42Å; G337-D341 PolarHBondContact O-N 3.45Å; D341-K345 WeakPolarHBondContact O-CB 3.32Å; D341-K345 WeakPolarHBondContact O-CD 3.47Å; D341-K345 VanDerWaalsContact O-CG 3.25Å; D341-K345 WeakPolarHBondContact O-CG 3.42Å; D341-K345 PolarHBondContact O-N 2.98Å; D341-K345 WeakPolarHBondContact OD1-CE 3.31Å; D341-K345 IonicContact OD1-NZ 3.46Å; D341-K345 PolarHBondContact OD1-NZ 3.05Å; D341-K345 WeakPolarHBondContact OD2-CE 3.09Å; D341-K345 IonicContact OD2-NZ 2.75Å; D341-K345 PolarHBondContact OD2-NZ 3.42Å
342	H	93.4	Very high	90.1	Very high	23 Å²	23	32.6 Å²	32.6	11%	0.106	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-56.3	177.5	177.8	89.4	0	0	0	111.7	S338 I340 L344 K345 I346 P363 Y365	S338-H342 VanDerWaalsContact O-CB 3.23Å; S338-H342 WeakPolarHBondContact O-CB 3.38Å; S338-H342 PolarHBondContact O-N 3.41Å; I340-H342 VanDerWaalsContact C-N 3.33Å; I340-H342 PolarHBondContact O-N 2.92Å; H342-L344 VanDerWaalsContact C-N 3.31Å; H342-L344 PolarHBondContact O-N 3Å; H342-K345 PolarHBondContact O-N 2.94Å; H342-I346 WeakPolarHBondContact O-CG1 3.39Å; H342-I346 PolarHBondContact O-N 3.46Å; H342-P363 PolarHBondContact NE2-O 3.44Å; H342-Y365 AromaticContact CD2-CD2 3.41Å; H342-Y365 VanDerWaalsContact CD2-CD2 3.41Å; H342-Y365 WeakPolarHBondContact CD2-CD2 3.5Å; H342-Y365 AromaticContact CD2-CE2 3.5Å; H342-Y365 VanDerWaalsContact CD2-CE2 3.5Å; H342-Y365 WeakPolarHBondContact CD2-CE2 3.44Å; H342-Y365 AromaticContact CE1-CE2 3.82Å; H342-Y365 AromaticContact CG-CD2 3.95Å; H342-Y365 AromaticContact CG-CE2 3.84Å; H342-Y365 AromaticContact NE2-CD2 3.8Å; H342-Y365 AromaticContact NE2-CE2 3.48Å; H342-Y365 WeakPolarHBondContact NE2-CE2 3.16Å
343	N	94.3	Very high	89	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-40.9	-176.2	-73.3	-11.8	0	0	0	111.7	S304 K339 I340 I346 H347 Y365	S304-N343 WeakPolarHBondContact O-CB 3.28Å; S304-N343 PolarHBondContact OG-ND2 2.72Å; K339-N343 WeakPolarHBondContact O-CB 3.16Å; K339-N343 PolarHBondContact O-N 3.02Å; I340-N343 PolarHBondContact O-N 3.37Å; N343-I346 PolarHBondContact O-N 2.92Å; N343-H347 PolarHBondContact O-CD2 3.37Å; N343-H347 PolarHBondContact O-N 3.24Å; N343-Y365 PolarHBondContact ND2-O 3.43Å; N343-Y365 PolarHBondContact OD1-N 2.93Å
344	L	93.4	Very high	87.3	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-43.3	177.6	-69.4	-179.7	0	0	0	112.1	S309 L312 I322 I340 H342 I346 H347 S348	S309-L344 WeakPolarHBondContact O-CD2 3.3Å; L312-L344 HydrophobicContact CB-CD1 4.31Å; L312-L344 HydrophobicContact CB-CD2 4.23Å; L312-L344 HydrophobicContact CD1-CD2 4.41Å; I322-L344 HydrophobicContact CD1-CD1 3.89Å; I340-L344 HydrophobicContact CG2-CD1 3.64Å; I340-L344 HydrophobicContact CG2-CG 4.16Å; I340-L344 WeakPolarHBondContact O-CB 3.38Å; I340-L344 VanDerWaalsContact O-CG 3.24Å; I340-L344 WeakPolarHBondContact O-CG 3.33Å; I340-L344 PolarHBondContact O-N 3.4Å; H342-L344 VanDerWaalsContact C-N 3.31Å; H342-L344 PolarHBondContact O-N 3Å; L344-I346 VanDerWaalsContact C-N 3.32Å; L344-I346 PolarHBondContact O-N 3.45Å; L344-H347 PolarHBondContact O-N 3.27Å; L344-S348 PolarHBondContact O-N 3.39Å; L344-S348 PolarHBondContact O-OG 3.36Å; L344-S348 VanDerWaalsContact O-OG 3.13Å
345	K	91	Very high	85.4	Confident	84 Å²	84	37 Å²	37	37%	0.365	22%	0.219	S	C	.	.	H	α-helix	trans	-60.4	-41.9	175.2	-77.2	169.9	176	168.9	0	112.1	D341 H342 S348 K349 I378	D341-K345 WeakPolarHBondContact O-CB 3.32Å; D341-K345 WeakPolarHBondContact O-CD 3.47Å; D341-K345 VanDerWaalsContact O-CG 3.25Å; D341-K345 WeakPolarHBondContact O-CG 3.42Å; D341-K345 PolarHBondContact O-N 2.98Å; D341-K345 WeakPolarHBondContact OD1-CE 3.31Å; D341-K345 IonicContact OD1-NZ 3.46Å; D341-K345 PolarHBondContact OD1-NZ 3.05Å; D341-K345 WeakPolarHBondContact OD2-CE 3.09Å; D341-K345 IonicContact OD2-NZ 2.75Å; D341-K345 PolarHBondContact OD2-NZ 3.42Å; H342-K345 PolarHBondContact O-N 2.94Å; K345-S348 PolarHBondContact O-N 3.31Å; K345-K349 WeakPolarHBondContact O-CG 3.45Å; K345-K349 PolarHBondContact O-N 3.16Å; K345-I378 HydrophobicContact CB-CD1 4.39Å; K345-I378 HydrophobicContact CD-CD1 4.4Å
346	I	89.2	Confident	83.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-47.9	176.9	-64.8	-49.1	0	0	0	110.8	H342 N343 L344 S348 K349 I350 Y362 I364 I378	H342-I346 WeakPolarHBondContact O-CG1 3.39Å; H342-I346 PolarHBondContact O-N 3.46Å; N343-I346 PolarHBondContact O-N 2.92Å; L344-I346 VanDerWaalsContact C-N 3.32Å; L344-I346 PolarHBondContact O-N 3.45Å; I346-S348 VanDerWaalsContact C-N 3.31Å; I346-S348 PolarHBondContact O-N 3.47Å; I346-K349 HydrophobicContact CD1-CD 4.48Å; I346-K349 PolarHBondContact O-N 2.67Å; I346-I350 HydrophobicContact CG2-CD1 3.79Å; I346-I350 HydrophobicContact CG2-CG1 4.47Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.22Å; I346-I350 PolarHBondContact O-N 2.62Å; I346-Y362 HydrophobicContact CD1-CD1 3.93Å; I346-Y362 HydrophobicContact CD1-CG 4.12Å; I346-Y362 HydrophobicContact CG2-CD2 4.45Å; I346-Y362 HydrophobicContact CG2-CG 4.02Å; I346-I364 HydrophobicContact CB-CD1 3.82Å; I346-I364 HydrophobicContact CG1-CD1 4.48Å; I346-I364 HydrophobicContact CG2-CD1 3.48Å; I346-I364 VanDerWaalsContact CG2-CD1 3.48Å; I346-I364 HydrophobicContact CG2-CG1 4.43Å; I346-I378 HydrophobicContact CD1-CD1 4.37Å
347	H	90.4	Very high	80.9	Confident	11 Å²	11	46.7 Å²	46.7	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-35.7	178.6	-67.9	-48.5	0	0	0	112.7	S304 Q305 H306 S309 N343 L344 I350 T351	S304-H347 PolarHBondContact O-CD2 3.34Å; S304-H347 PolarHBondContact O-NE2 3.23Å; S304-H347 VanDerWaalsContact O-NE2 3.1Å; Q305-H347 PolarHBondContact O-NE2 3.11Å; H306-H347 PolarHBondContact O-NE2 3.2Å; S309-H347 PolarHBondContact OG-CD2 2.97Å; N343-H347 PolarHBondContact O-CD2 3.37Å; N343-H347 PolarHBondContact O-N 3.24Å; L344-H347 PolarHBondContact O-N 3.27Å; H347-I350 PolarHBondContact O-N 3.42Å; H347-T351 WeakPolarHBondContact O-CB 3.43Å; H347-T351 PolarHBondContact O-N 2.91Å; H347-T351 PolarHBondContact O-OG1 2.96Å
348	S	86.4	Confident	78.5	Confident	31 Å²	31	52.4 Å²	52.4	22%	0.217	32%	0.319	C	S	.	.	H	α-helix	trans	-64.2	-47.5	172.2	-62.2	0	0	0	0	112.1	N313 L344 K345 I346 I350 T351 D352	N313-S348 PolarHBondContact ND2-OG 2.86Å; L344-S348 PolarHBondContact O-N 3.39Å; L344-S348 PolarHBondContact O-OG 3.36Å; L344-S348 VanDerWaalsContact O-OG 3.13Å; K345-S348 PolarHBondContact O-N 3.31Å; I346-S348 VanDerWaalsContact C-N 3.31Å; I346-S348 PolarHBondContact O-N 3.47Å; S348-I350 PolarHBondContact O-N 3.41Å; S348-T351 PolarHBondContact O-N 3.24Å; S348-D352 WeakPolarHBondContact O-CB 3.5Å; S348-D352 VanDerWaalsContact O-CG 3.31Å; S348-D352 PolarHBondContact O-N 3.06Å
349	K	83.5	Confident	76.2	Confident	63 Å²	63	58.9 Å²	58.9	27%	0.274	35%	0.351	S	S	.	.	H	α-helix	trans	-56	-39.6	176.9	-76.9	-178.2	177.8	-172.4	0	112.5	K345 I346 S354 E380	K345-K349 WeakPolarHBondContact O-CG 3.45Å; K345-K349 PolarHBondContact O-N 3.16Å; I346-K349 HydrophobicContact CD1-CD 4.48Å; I346-K349 PolarHBondContact O-N 2.67Å; K349-S354 PolarHBondContact O-OG 2.76Å; K349-E380 IonicContact NZ-OE1 3.88Å; K349-E380 PolarHBondContact NZ-OE1 2.93Å
350	I	81.5	Confident	74.2	Confident	91 Å²	91	63.4 Å²	63.4	47%	0.467	38%	0.376	S	S	.	.	H	α-helix	trans	-67.8	-42.2	177	-66.1	166.4	0	0	0	110.7	I346 H347 S348 Y362	I346-I350 HydrophobicContact CG2-CD1 3.79Å; I346-I350 HydrophobicContact CG2-CG1 4.47Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.22Å; I346-I350 PolarHBondContact O-N 2.62Å; H347-I350 PolarHBondContact O-N 3.42Å; S348-I350 PolarHBondContact O-N 3.41Å; I350-Y362 HydrophobicContact CG1-CD2 4.28Å
351	T	78.9	Confident	73	Confident	100 Å²	100	67.3 Å²	67.3	61%	0.613	40%	0.403	S	S	*	.	H	α-helix	trans	-71.2	-38.1	-177.6	-53.8	0	0	0	0	112.4	H347 S348 G353	H347-T351 WeakPolarHBondContact O-CB 3.43Å; H347-T351 PolarHBondContact O-N 2.91Å; H347-T351 PolarHBondContact O-OG1 2.96Å; S348-T351 PolarHBondContact O-N 3.24Å; T351-G353 PolarHBondContact O-N 2.98Å
352	D	73.1	Confident	72.4	Confident	125 Å²	125	67.9 Å²	67.9	67%	0.668	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	1	-176.9	-68.8	-23.8	0	0	0	113.5	S348 S354	S348-D352 WeakPolarHBondContact O-CB 3.5Å; S348-D352 VanDerWaalsContact O-CG 3.31Å; S348-D352 PolarHBondContact O-N 3.06Å; D352-S354 PolarHBondContact O-N 2.97Å
353	G	67.4	Low	72.3	Confident	58 Å²	58	67.5 Å²	67.5	60%	0.598	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	5.7	179.9	0	0	0	0	0	114.2	T351 C355	T351-G353 PolarHBondContact O-N 2.98Å; G353-C355 PolarHBondContact O-N 2.94Å; G353-C355 VanDerWaalsContact O-N 3.12Å
354	S	57.6	Low	72.3	Confident	81 Å²	81	68.5 Å²	68.5	57%	0.566	41%	0.408	S	S	*	.			trans	-65.1	-12.9	178.4	71.2	0	0	0	0	113.1	K349 D352 S356	K349-S354 PolarHBondContact O-OG 2.76Å; D352-S354 PolarHBondContact O-N 2.97Å; S354-S356 PolarHBondContact O-N 3.13Å
355	C	53	Low	72.3	Confident	37 Å²	37	68.6 Å²	68.6	25%	0.25	41%	0.408	C	S	.	.			trans	-90.7	74.9	174.8	-60	0	0	0	0	110.1	G353 D357 Y362	G353-C355 PolarHBondContact O-N 2.94Å; G353-C355 VanDerWaalsContact O-N 3.12Å; C355-D357 PolarHBondContact O-N 3.07Å; C355-Y362 HydrophobicContact CB-CE2 4.3Å; C355-Y362 WeakPolarHBondContact SG-CE2 3.43Å; C355-Y362 PolarHBondContact SG-OH 3.06Å
356	S	46.7	Very low	72.5	Confident	107 Å²	107	64.7 Å²	64.7	75%	0.748	39%	0.391	S	S	*	.			trans	-69.8	-11.3	166.9	52.7	0	0	0	0	112.8	S354 S358	S354-S356 PolarHBondContact O-N 3.13Å; S356-S358 PolarHBondContact O-N 3.12Å
357	D	46.8	Very low	72.7	Confident	108 Å²	108	64.9 Å²	64.9	58%	0.578	39%	0.392	S	S	*	.			trans	-89.1	84.1	174.4	-73.7	-12.9	0	0	0	110.4	C355 L359 N360	C355-D357 PolarHBondContact O-N 3.07Å; D357-L359 PolarHBondContact O-N 3.07Å; D357-N360 PolarHBondContact O-N 3.27Å
358	S	43.1	Very low	72.9	Confident	121 Å²	121	64.5 Å²	64.5	85%	0.846	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	4.7	172	59.3	0	0	0	0	115.7	S356	S356-S358 PolarHBondContact O-N 3.12Å
359	L	46.4	Very low	73.3	Confident	157 Å²	157	63 Å²	63	82%	0.822	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-19.8	-175.5	-87.8	137.9	0	0	0	114.4	D357	D357-L359 PolarHBondContact O-N 3.07Å
360	N	52.4	Low	73.9	Confident	102 Å²	102	60.5 Å²	60.5	55%	0.545	37%	0.369	S	S	.	.			trans	-102.9	102.1	178.7	-76.1	-12.9	0	0	0	110	D357	D357-N360 PolarHBondContact O-N 3.27Å
361	S	70.3	Confident	74.5	Confident	82 Å²	82	58 Å²	58	57%	0.573	36%	0.357	S	S	*	.			trans	-61.8	155.4	161.4	159.9	0	0	0	0	108.6	E472	S361-E472 VanDerWaalsContact CA-OE1 3.29Å; S361-E472 WeakPolarHBondContact CA-OE1 3.33Å; S361-E472 WeakPolarHBondContact CB-OE1 3.41Å; S361-E472 PolarHBondContact OG-OE1 3.14Å
362	Y	82.6	Confident	75.3	Confident	41 Å²	41	53.2 Å²	53.2	16%	0.161	33%	0.328	C	S	.	.			trans	-114.3	143.1	176.7	-68.8	-79.9	0	0	0	109.7	I346 I350 C355 I364 E472	I346-Y362 HydrophobicContact CD1-CD1 3.93Å; I346-Y362 HydrophobicContact CD1-CG 4.12Å; I346-Y362 HydrophobicContact CG2-CD2 4.45Å; I346-Y362 HydrophobicContact CG2-CG 4.02Å; I350-Y362 HydrophobicContact CG1-CD2 4.28Å; C355-Y362 HydrophobicContact CB-CE2 4.3Å; C355-Y362 WeakPolarHBondContact SG-CE2 3.43Å; C355-Y362 PolarHBondContact SG-OH 3.06Å; Y362-I364 PolarHBondContact O-N 3.25Å; Y362-E472 PolarHBondContact N-OE1 3.12Å
363	P	90.7	Very high	76.1	Confident	16 Å²	16	48 Å²	48	10%	0.104	30%	0.299	C	S	.	.			trans	-71.2	122.1	-177.2	28.5	-33.1	0	0	0	111	H342 E472	H342-P363 PolarHBondContact NE2-O 3.44Å; P363-E472 HydrophobicContact CB-CG 4.13Å; P363-E472 WeakPolarHBondContact CD-OE2 3.38Å
364	I	93.2	Very high	76.6	Confident	20 Å²	20	49.5 Å²	49.5	10%	0.103	29%	0.294	C	S	.	.			trans	-105.6	125.2	170.4	-63	-62.4	0	0	0	109.2	Q305 I346 Y362 K470 A471	Q305-I364 HydrophobicContact CB-CG2 4.11Å; I346-I364 HydrophobicContact CB-CD1 3.82Å; I346-I364 HydrophobicContact CG1-CD1 4.48Å; I346-I364 HydrophobicContact CG2-CD1 3.48Å; I346-I364 VanDerWaalsContact CG2-CD1 3.48Å; I346-I364 HydrophobicContact CG2-CG1 4.43Å; Y362-I364 PolarHBondContact O-N 3.25Å; I364-K470 PolarHBondContact N-O 2.96Å; I364-K470 CarbonylContact O-C 3.57Å; I364-A471 WeakPolarHBondContact O-CA 3.43Å; I364-A471 PolarHBondContact O-N 3.39Å
365	Y	94.9	Very high	77.1	Confident	6 Å²	6	48.2 Å²	48.2	2%	0.024	29%	0.285	C	S	.	.			trans	-91.5	109.8	179.4	-63	-62.7	0	0	0	111	H342 N343 V369 N371 A471	H342-Y365 AromaticContact CD2-CD2 3.41Å; H342-Y365 VanDerWaalsContact CD2-CD2 3.41Å; H342-Y365 WeakPolarHBondContact CD2-CD2 3.5Å; H342-Y365 AromaticContact CD2-CE2 3.5Å; H342-Y365 VanDerWaalsContact CD2-CE2 3.5Å; H342-Y365 WeakPolarHBondContact CD2-CE2 3.44Å; H342-Y365 AromaticContact CE1-CE2 3.82Å; H342-Y365 AromaticContact CG-CD2 3.95Å; H342-Y365 AromaticContact CG-CE2 3.84Å; H342-Y365 AromaticContact NE2-CD2 3.8Å; H342-Y365 AromaticContact NE2-CE2 3.48Å; H342-Y365 WeakPolarHBondContact NE2-CE2 3.16Å; N343-Y365 PolarHBondContact ND2-O 3.43Å; N343-Y365 PolarHBondContact OD1-N 2.93Å; Y365-V369 HydrophobicContact CD1-CG1 3.97Å; Y365-N371 HydrophobicContact CD2-CB 4.44Å; Y365-N371 HydrophobicContact CE1-CB 4.13Å; Y365-N371 HydrophobicContact CE2-CB 3.83Å; Y365-N371 PolarHBondContact OH-ND2 3.28Å; Y365-N371 VanDerWaalsContact OH-ND2 3.14Å; Y365-A471 HydrophobicContact CD1-CB 3.96Å; Y365-A471 HydrophobicContact CE1-CB 4.11Å
366	C	94.8	Very high	77.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.007	29%	0.291	C	S	.	.			trans	-77.8	174	177.4	-72.8	0	0	0	0	112.9	Q305 K339 D368 V369 Q467 K470	Q305-C366 PolarHBondContact OE1-SG 3.17Å; K339-C366 PolarHBondContact NZ-O 3.31Å; C366-D368 VanDerWaalsContact C-N 3.29Å; C366-D368 PolarHBondContact O-N 3.42Å; C366-D368 VanDerWaalsContact O-N 3.11Å; C366-V369 PolarHBondContact O-N 3.29Å; C366-V369 VanDerWaalsContact O-N 3.08Å; C366-V369 VanDerWaalsContact O-O 3.09Å; C366-Q467 HydrophobicContact CB-CB 3.67Å; C366-Q467 HydrophobicContact CB-CG 3.43Å; C366-Q467 VanDerWaalsContact CB-CG 3.43Å; C366-K470 VanDerWaalsContact SG-CD 3.6Å
367	P	93	Very high	77.9	Confident	4 Å²	4	51 Å²	51	3%	0.026	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-41.5	-172.2	-35.6	39.8	0	0	0	115.7	K199 N302 Q305 K339 Y370	K199-P367 HydrophobicContact CG-CB 4.24Å; K199-P367 HydrophobicContact CG-CG 4.44Å; N302-P367 HydrophobicContact CB-CG 4.13Å; N302-P367 VanDerWaalsContact OD1-CB 3.23Å; N302-P367 WeakPolarHBondContact OD1-CB 3.3Å; N302-P367 WeakPolarHBondContact OD1-CG 3.46Å; Q305-P367 VanDerWaalsContact NE2-CD 3.31Å; K339-P367 PolarHBondContact NZ-O 3.45Å; P367-Y370 WeakPolarHBondContact O-CE2 3.39Å; P367-Y370 PolarHBondContact O-OH 3.4Å; P367-Y370 VanDerWaalsContact O-OH 3.04Å
368	D	94.2	Very high	78.6	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	0.8	-173.4	-57.3	-36.6	0	0	0	112.8	K199 C366 V435 D436 R460 Q467	K199-D368 IonicContact NZ-OD1 3.34Å; K199-D368 PolarHBondContact NZ-OD1 2.85Å; C366-D368 VanDerWaalsContact C-N 3.29Å; C366-D368 PolarHBondContact O-N 3.42Å; C366-D368 VanDerWaalsContact O-N 3.11Å; D368-V435 CarbonylContact O-C 3.55Å; D368-V435 VanDerWaalsContact O-CA 3.31Å; D368-V435 WeakPolarHBondContact O-CA 3.46Å; D368-D436 WeakPolarHBondContact CB-O 3.49Å; D368-D436 PolarHBondContact O-N 3.29Å; D368-R460 IonicContact OD2-NH2 3.98Å; D368-Q467 PolarHBondContact OD2-NE2 2.94Å
369	V	96	Very high	79.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.3	-177.6	-176.3	0	0	0	0	110.6	K339 Y365 C366 I433 Q467 L468 A471	K339-V369 WeakPolarHBondContact CE-O 3.35Å; K339-V369 PolarHBondContact NZ-O 2.94Å; Y365-V369 HydrophobicContact CD1-CG1 3.97Å; C366-V369 PolarHBondContact O-N 3.29Å; C366-V369 VanDerWaalsContact O-N 3.08Å; C366-V369 VanDerWaalsContact O-O 3.09Å; V369-I433 HydrophobicContact CG1-CG2 3.56Å; V369-Q467 HydrophobicContact CG2-CB 3.69Å; V369-L468 HydrophobicContact CG1-CD2 4.4Å; V369-L468 HydrophobicContact CG2-CD2 4.13Å; V369-A471 HydrophobicContact CG1-CB 4.08Å
370	Y	95.7	Very high	80.5	Confident	10 Å²	10	43.1 Å²	43.1	4%	0.039	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.6	-175.3	-61.4	-94.9	0	0	0	110.7	L335 F336 K339 P367 V396 F397 I433 G434 D436	L335-Y370 HydrophobicContact CB-CD1 4.19Å; F336-Y370 HydrophobicContact CD1-CE1 4.13Å; F336-Y370 AromaticContact CE1-CE1 3.87Å; F336-Y370 HydrophobicContact CE1-CE1 3.87Å; K339-Y370 VanDerWaalsContact CE-CD1 3.47Å; P367-Y370 WeakPolarHBondContact O-CE2 3.39Å; P367-Y370 PolarHBondContact O-OH 3.4Å; P367-Y370 VanDerWaalsContact O-OH 3.04Å; Y370-V396 HydrophobicContact CD2-CB 4.4Å; Y370-V396 HydrophobicContact CD2-CG2 4.03Å; Y370-F397 HydrophobicContact CD1-CZ 4.3Å; Y370-F397 HydrophobicContact CE1-CE1 4.29Å; Y370-F397 HydrophobicContact CE1-CE2 4.42Å; Y370-F397 AromaticContact CE1-CZ 3.58Å; Y370-F397 HydrophobicContact CE1-CZ 3.58Å; Y370-F397 HydrophobicContact CE2-CZ 4.49Å; Y370-F397 AromaticContact CZ-CZ 3.7Å; Y370-I433 CarbonylContact O-C 3.43Å; Y370-I433 VanDerWaalsContact O-CA 3.3Å; Y370-I433 WeakPolarHBondContact O-CA 3.45Å; Y370-G434 PolarHBondContact N-O 2.88Å; Y370-G434 PolarHBondContact O-N 3.4Å; Y370-D436 HydrophobicContact CE2-CB 4.19Å
371	N	94.4	Very high	81.9	Confident	39 Å²	39	44.4 Å²	44.4	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.9	166.7	-171.1	-15.2	0	0	0	109.1	L335 Y365 N373 I432	L335-N371 WeakPolarHBondContact CD2-O 3.21Å; Y365-N371 HydrophobicContact CD2-CB 4.44Å; Y365-N371 HydrophobicContact CE1-CB 4.13Å; Y365-N371 HydrophobicContact CE2-CB 3.83Å; Y365-N371 PolarHBondContact OH-ND2 3.28Å; Y365-N371 VanDerWaalsContact OH-ND2 3.14Å; N371-N373 WeakPolarHBondContact OD1-CB 3.27Å; N371-N373 PolarHBondContact OD1-N 3.32Å; N371-N373 PolarHBondContact OD1-OD1 2.94Å; N371-N373 VanDerWaalsContact OD1-OD1 3.05Å; N371-I432 PolarHBondContact OD1-O 2.92Å
372	L	94.5	Very high	82.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.			trans	-112.2	9.6	-178.9	-56.6	-178.5	0	0	0	112.7	L335 V396 P419 R420 I432	L335-L372 HydrophobicContact CD1-CD2 3.8Å; L335-L372 HydrophobicContact CD2-CD2 4.05Å; L372-V396 HydrophobicContact CD1-CG1 4.28Å; L372-V396 HydrophobicContact CD2-CG1 3.78Å; L372-P419 HydrophobicContact CD1-CB 4.42Å; L372-R420 HydrophobicContact CB-CB 4.41Å; L372-R420 WeakPolarHBondContact O-CA 3.35Å; L372-R420 VanDerWaalsContact O-CB 3.26Å; L372-R420 WeakPolarHBondContact O-CB 3.35Å; L372-R420 VanDerWaalsContact O-CG 3.27Å; L372-R420 WeakPolarHBondContact O-CG 3.37Å; L372-I432 HydrophobicContact CB-CB 4.21Å; L372-I432 HydrophobicContact CB-CG2 3.86Å; L372-I432 HydrophobicContact CD1-CG2 4.26Å; L372-I432 PolarHBondContact N-O 2.87Å
373	N	91	Very high	83.2	Confident	14 Å²	14	42.4 Å²	42.4	8%	0.075	23%	0.226	C	C	.	.			trans	-68.7	143.8	170.7	-69.3	93.8	0	0	0	110.5	N371 S375 A430 R431 I432	N371-N373 WeakPolarHBondContact OD1-CB 3.27Å; N371-N373 PolarHBondContact OD1-N 3.32Å; N371-N373 PolarHBondContact OD1-OD1 2.94Å; N371-N373 VanDerWaalsContact OD1-OD1 3.05Å; N373-S375 VanDerWaalsContact C-N 3.32Å; N373-S375 PolarHBondContact O-N 2.84Å; N373-A430 PolarHBondContact ND2-O 3Å; N373-R431 WeakPolarHBondContact OD1-CA 3.46Å; N373-I432 PolarHBondContact OD1-N 3.03Å
374	D	77.3	Confident	83.4	Confident	91 Å²	91	41.6 Å²	41.6	49%	0.487	22%	0.221	S	C	.	.	S	Bend	trans	-71.7	-26.6	-178.6	-166.8	32.3	0	0	0	112.6	N376 R420	D374-N376 PolarHBondContact O-N 3.47Å; D374-R420 IonicContact OD1-CZ 3.06Å; D374-R420 IonicContact OD1-NH1 3.95Å; D374-R420 PolarHBondContact OD1-NH1 3.49Å; D374-R420 IonicContact OD1-NH2 2.83Å; D374-R420 PolarHBondContact OD1-NH2 3.37Å
375	S	68	Low	83.5	Confident	54 Å²	54	40.7 Å²	40.7	38%	0.378	22%	0.216	S	C	.	.			trans	-79	119.9	176.6	60.6	0	0	0	0	111.6	N373 D377	N373-S375 VanDerWaalsContact C-N 3.32Å; N373-S375 PolarHBondContact O-N 2.84Å; S375-D377 PolarHBondContact O-N 3.26Å
376	N	58.3	Low	83.7	Confident	70 Å²	70	40.4 Å²	40.4	37%	0.374	22%	0.215	S	C	.	.			trans	-74	-3.9	168.5	-73.1	-38	0	0	0	113.1	S338 D374	S338-N376 PolarHBondContact OG-OD1 3.39Å; D374-N376 PolarHBondContact O-N 3.47Å
377	D	59	Low	83.8	Confident	132 Å²	132	40.3 Å²	40.3	71%	0.706	22%	0.215	S	C	*	.	S	Bend	trans	-72.8	137.5	175.1	-69	-29.1	0	0	0	109.7	S375 N379	S375-D377 PolarHBondContact O-N 3.26Å; D377-N379 PolarHBondContact O-N 3.47Å
378	I	60.1	Low	84.1	Confident	53 Å²	53	40.1 Å²	40.1	27%	0.272	21%	0.214	S	C	.	.			trans	-70.3	79	174.6	-52.3	171.6	0	0	0	106.5	K345 I346 E380	K345-I378 HydrophobicContact CB-CD1 4.39Å; K345-I378 HydrophobicContact CD-CD1 4.4Å; I346-I378 HydrophobicContact CD1-CD1 4.37Å; I378-E380 HydrophobicContact CG2-CG 3.64Å; I378-E380 PolarHBondContact O-N 3.07Å
379	N	65.4	Low	84.3	Confident	73 Å²	73	40 Å²	40	39%	0.39	21%	0.213	S	C	.	.			trans	-77.3	107.7	167.7	-168.1	-0.9	0	0	0	106.9	D377 N381 Y382	D377-N379 PolarHBondContact O-N 3.47Å; N379-N381 VanDerWaalsContact C-N 3.32Å; N379-N381 PolarHBondContact OD1-N 3.14Å; N379-Y382 HydrophobicContact CB-CE1 4.37Å; N379-Y382 HydrophobicContact CB-CE2 4.24Å; N379-Y382 WeakPolarHBondContact O-CD2 3.32Å; N379-Y382 WeakPolarHBondContact O-CE2 3.24Å
380	E	65.2	Low	84.2	Confident	94 Å²	94	40 Å²	40	44%	0.439	21%	0.213	S	C	.	.			trans	-84.3	-14.1	-178.3	-61.2	-178.8	178.6	0	0	111.3	K349 I378 Y382	K349-E380 IonicContact NZ-OE1 3.88Å; K349-E380 PolarHBondContact NZ-OE1 2.93Å; I378-E380 HydrophobicContact CG2-CG 3.64Å; I378-E380 PolarHBondContact O-N 3.07Å; E380-Y382 PolarHBondContact O-N 3.36Å
381	N	80.7	Confident	84	Confident	130 Å²	130	39.6 Å²	39.6	70%	0.695	21%	0.211	S	C	*	.			trans	-106.8	69.1	-169.8	-159.1	22.8	0	0	0	112.5	N379	N379-N381 VanDerWaalsContact C-N 3.32Å; N379-N381 PolarHBondContact OD1-N 3.14Å
382	Y	89.5	Confident	83.5	Confident	15 Å²	15	40.7 Å²	40.7	6%	0.059	22%	0.216	C	C	.	.			trans	-95.1	136.6	169.6	-62.8	-72	0	0	0	111.1	N379 E380 Q429 A430 R431 R476	N379-Y382 HydrophobicContact CB-CE1 4.37Å; N379-Y382 HydrophobicContact CB-CE2 4.24Å; N379-Y382 WeakPolarHBondContact O-CD2 3.32Å; N379-Y382 WeakPolarHBondContact O-CE2 3.24Å; E380-Y382 PolarHBondContact O-N 3.36Å; Y382-Q429 CarbonylContact C-O 3.56Å; Y382-Q429 WeakPolarHBondContact CA-O 3.32Å; Y382-A430 VanDerWaalsContact CD1-C 3.47Å; Y382-R431 HydrophobicContact CD1-CB 4.08Å; Y382-R431 HydrophobicContact CD2-CB 3.57Å; Y382-R431 HydrophobicContact CD2-CG 3.8Å; Y382-R431 HydrophobicContact CE1-CB 4.46Å; Y382-R431 HydrophobicContact CE2-CB 3.98Å; Y382-R431 HydrophobicContact CE2-CG 3.79Å; Y382-R431 HydrophobicContact CG-CB 3.6Å; Y382-R431 HydrophobicContact CG-CG 4.33Å; Y382-R476 WeakPolarHBondContact O-CD 3.32Å; Y382-R476 PolarHBondContact O-NE 3.38Å
383	D	91.5	Very high	82.8	Confident	65 Å²	65	44.5 Å²	44.5	35%	0.348	24%	0.236	S	C	.	.	S	Bend	trans	-75.1	-31.8	-179.3	-67.3	-28.1	0	0	0	112.1	Q429 P477 L768	D383-Q429 HydrophobicContact CB-CB 4.41Å; D383-Q429 HydrophobicContact CB-CG 4.33Å; D383-Q429 PolarHBondContact N-O 3.14Å; D383-Q429 WeakPolarHBondContact OD2-CB 3.2Å; D383-P477 WeakPolarHBondContact O-CD 3.44Å; D383-L768 HydrophobicContact CB-CD1 4.46Å; D383-L768 WeakPolarHBondContact OD2-CD1 3.49Å; D383-L768 VanDerWaalsContact OD2-CD2 3.25Å; D383-L768 WeakPolarHBondContact OD2-CD2 3.5Å
384	F	94.7	Very high	82.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	163.3	-178.8	60	-86.3	0	0	0	112.5	I386 F427 Q429 A430 R431 P477 I479 I759 L764 L768	F384-I386 HydrophobicContact CD2-CG1 4.01Å; F384-I386 HydrophobicContact CE2-CD1 3.89Å; F384-I386 HydrophobicContact CE2-CG1 3.75Å; F384-F427 HydrophobicContact CZ-CD1 4.33Å; F384-Q429 HydrophobicContact CD1-CG 4.4Å; F384-Q429 HydrophobicContact CE1-CG 3.65Å; F384-Q429 HydrophobicContact CZ-CG 4.34Å; F384-A430 HydrophobicContact CD2-CB 3.92Å; F384-A430 HydrophobicContact CE1-CB 4.29Å; F384-A430 HydrophobicContact CE2-CB 3.42Å; F384-A430 VanDerWaalsContact CE2-CB 3.42Å; F384-A430 HydrophobicContact CZ-CB 3.63Å; F384-A430 WeakPolarHBondContact O-CA 3.09Å; F384-R431 PolarHBondContact O-N 3.12Å; F384-P477 CarbonylContact C-O 3.6Å; F384-P477 WeakPolarHBondContact CA-O 3.27Å; F384-P477 HydrophobicContact CB-CB 4.03Å; F384-P477 WeakPolarHBondContact CB-O 3.45Å; F384-I479 HydrophobicContact CD2-CD1 3.83Å; F384-I479 HydrophobicContact CE2-CD1 3.83Å; F384-I759 HydrophobicContact CE2-CG2 4.5Å; F384-L764 HydrophobicContact CB-CD1 4.1Å; F384-L764 HydrophobicContact CD1-CD1 3.3Å; F384-L764 HydrophobicContact CD2-CD1 4.13Å; F384-L764 HydrophobicContact CE1-CD1 3.59Å; F384-L764 HydrophobicContact CE2-CD1 4.34Å; F384-L764 HydrophobicContact CG-CD1 3.6Å; F384-L764 HydrophobicContact CZ-CD1 4.11Å; F384-L768 HydrophobicContact CE1-CD1 4.48Å
385	D	96	Very high	83.2	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.4	176.9	-68.8	-27.7	0	0	0	110.7	I387 R431 R476 P477 I479	D385-I387 HydrophobicContact CB-CD1 4.43Å; D385-I387 HydrophobicContact CB-CG1 4.2Å; D385-R431 CarbonylContact C-O 3.56Å; D385-R431 WeakPolarHBondContact CA-O 3.35Å; D385-R431 VanDerWaalsContact CG-NH2 3.31Å; D385-R431 WeakPolarHBondContact OD1-CB 3.49Å; D385-R431 IonicContact OD1-CZ 2.81Å; D385-R431 VanDerWaalsContact OD1-CZ 3.26Å; D385-R431 IonicContact OD1-NE 2.73Å; D385-R431 PolarHBondContact OD1-NE 3.39Å; D385-R431 IonicContact OD1-NH2 4Å; D385-R431 PolarHBondContact OD1-NH2 3.44Å; D385-R431 VanDerWaalsContact OD1-NH2 3.08Å; D385-R431 IonicContact OD2-CZ 2.68Å; D385-R431 IonicContact OD2-NE 3.28Å; D385-R431 IonicContact OD2-NH2 3.18Å; D385-R431 PolarHBondContact OD2-NH2 3.38Å; D385-R476 HydrophobicContact CB-CG 4.37Å; D385-R476 VanDerWaalsContact OD1-CD 3.22Å; D385-R476 WeakPolarHBondContact OD1-CD 3.07Å; D385-R476 IonicContact OD1-CZ 2.78Å; D385-R476 IonicContact OD1-NE 2.89Å; D385-R476 IonicContact OD1-NH1 3.42Å; D385-R476 PolarHBondContact OD1-NH1 3.43Å; D385-R476 IonicContact OD2-NH1 3.16Å; D385-P477 PolarHBondContact N-O 3.2Å; D385-I479 PolarHBondContact O-N 3.4Å
386	I	97.5	Very high	84.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.7	165.9	-55.8	173.2	0	0	0	108.2	F384 F388 L423 A430 R431 I432 I433 I479 I481 I759	F384-I386 HydrophobicContact CD2-CG1 4.01Å; F384-I386 HydrophobicContact CE2-CD1 3.89Å; F384-I386 HydrophobicContact CE2-CG1 3.75Å; I386-F388 HydrophobicContact CG2-CD2 4.18Å; I386-F388 HydrophobicContact CG2-CE2 3.61Å; I386-F388 HydrophobicContact CG2-CZ 4.34Å; I386-L423 HydrophobicContact CD1-CD2 3.94Å; I386-L423 HydrophobicContact CD1-CG 4.36Å; I386-L423 HydrophobicContact CG2-CD2 4.17Å; I386-A430 HydrophobicContact CD1-CB 3.76Å; I386-A430 HydrophobicContact CG1-CB 4.06Å; I386-R431 PolarHBondContact N-O 2.67Å; I386-I432 WeakPolarHBondContact O-CA 3.47Å; I386-I433 PolarHBondContact O-N 3.14Å; I386-I479 CarbonylContact C-O 3.53Å; I386-I479 WeakPolarHBondContact CA-O 3.2Å; I386-I479 HydrophobicContact CG1-CB 4.46Å; I386-I479 HydrophobicContact CG1-CD1 4.39Å; I386-I481 HydrophobicContact CG2-CD1 3.57Å; I386-I481 HydrophobicContact CG2-CG1 4.2Å; I386-I759 HydrophobicContact CD1-CD1 4.15Å
387	I	98.2	Very high	85.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.2	-171.4	-50.1	-179.1	0	0	0	110.9	D385 V389 I433 V435 V473 I478 I479 W480 I481	D385-I387 HydrophobicContact CB-CD1 4.43Å; D385-I387 HydrophobicContact CB-CG1 4.2Å; I387-V389 HydrophobicContact CG2-CG2 4.1Å; I387-I433 CarbonylContact C-O 3.56Å; I387-I433 WeakPolarHBondContact CA-O 3.03Å; I387-I433 HydrophobicContact CG1-CB 4.44Å; I387-I433 HydrophobicContact CG2-CG2 4.37Å; I387-V435 HydrophobicContact CG2-CG2 3.66Å; I387-V473 HydrophobicContact CD1-CB 4.4Å; I387-V473 HydrophobicContact CD1-CG1 3.33Å; I387-V473 HydrophobicContact CD1-CG2 4.18Å; I387-I478 HydrophobicContact CD1-CG2 3.52Å; I387-I478 HydrophobicContact CG1-CG2 4.01Å; I387-I479 PolarHBondContact N-O 3.17Å; I387-W480 HydrophobicContact CB-CD2 4.46Å; I387-W480 HydrophobicContact CB-CE3 3.81Å; I387-W480 HydrophobicContact CB-CZ3 4Å; I387-W480 HydrophobicContact CD1-CE3 4.34Å; I387-W480 HydrophobicContact CD1-CH2 3.97Å; I387-W480 HydrophobicContact CD1-CZ2 4.27Å; I387-W480 HydrophobicContact CD1-CZ3 4Å; I387-W480 HydrophobicContact CG2-CE3 3.84Å; I387-W480 HydrophobicContact CG2-CZ3 3.62Å; I387-I481 PolarHBondContact O-N 3.38Å
388	F	98.4	Very high	87.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.1	178.4	-76.9	-93.7	0	0	0	111.4	I386 W400 W418 P419 L423 I432 I433 V435 I481	I386-F388 HydrophobicContact CG2-CD2 4.18Å; I386-F388 HydrophobicContact CG2-CE2 3.61Å; I386-F388 HydrophobicContact CG2-CZ 4.34Å; F388-W400 HydrophobicContact CB-CD2 4.35Å; F388-W400 HydrophobicContact CB-CZ2 3.87Å; F388-W400 AromaticContact CD1-CD2 3.68Å; F388-W400 HydrophobicContact CD1-CD2 3.68Å; F388-W400 AromaticContact CD1-CE2 3.83Å; F388-W400 AromaticContact CD1-CE3 3.7Å; F388-W400 HydrophobicContact CD1-CE3 3.7Å; F388-W400 HydrophobicContact CD1-CG 4.28Å; F388-W400 AromaticContact CD1-CH2 3.99Å; F388-W400 HydrophobicContact CD1-CH2 3.99Å; F388-W400 AromaticContact CD1-CZ2 3.99Å; F388-W400 HydrophobicContact CD1-CZ2 3.99Å; F388-W400 AromaticContact CD1-CZ3 3.86Å; F388-W400 HydrophobicContact CD1-CZ3 3.86Å; F388-W400 HydrophobicContact CE1-CD2 4.48Å; F388-W400 HydrophobicContact CE1-CE3 4.19Å; F388-W400 HydrophobicContact CE1-CZ3 4.4Å; F388-W400 HydrophobicContact CG-CD2 4.41Å; F388-W400 HydrophobicContact CG-CZ2 4.46Å; F388-W418 AromaticContact CE1-CH2 3.4Å; F388-W418 HydrophobicContact CE1-CH2 3.4Å; F388-W418 AromaticContact CE1-CZ2 3.68Å; F388-W418 HydrophobicContact CE1-CZ2 3.68Å; F388-W418 HydrophobicContact CE1-CZ3 4.19Å; F388-W418 AromaticContact CZ-CH2 3.62Å; F388-W418 HydrophobicContact CZ-CH2 3.62Å; F388-W418 HydrophobicContact CZ-CZ2 4.31Å; F388-W418 AromaticContact CZ-CZ3 3.99Å; F388-W418 HydrophobicContact CZ-CZ3 3.99Å; F388-P419 HydrophobicContact CD1-CG 3.98Å; F388-P419 HydrophobicContact CD2-CB 4.11Å; F388-P419 HydrophobicContact CD2-CG 4.36Å; F388-P419 HydrophobicContact CE1-CB 4.13Å; F388-P419 HydrophobicContact CE1-CG 3.59Å; F388-P419 HydrophobicContact CE2-CB 3.61Å; F388-P419 HydrophobicContact CE2-CG 4.02Å; F388-P419 HydrophobicContact CG-CG 4.33Å; F388-P419 HydrophobicContact CZ-CB 3.61Å; F388-P419 HydrophobicContact CZ-CG 3.6Å; F388-L423 HydrophobicContact CE2-CD2 3.79Å; F388-L423 HydrophobicContact CZ-CD2 3.67Å; F388-I432 HydrophobicContact CD2-CG2 3.88Å; F388-I432 HydrophobicContact CE2-CG2 3.76Å; F388-I433 PolarHBondContact N-O 3.04Å; F388-V435 PolarHBondContact O-N 3.48Å; F388-I481 CarbonylContact C-O 3.52Å; F388-I481 VanDerWaalsContact CA-O 3.27Å; F388-I481 WeakPolarHBondContact CA-O 3.39Å; F388-I481 HydrophobicContact CD1-CB 3.93Å; F388-I481 HydrophobicContact CD1-CG2 3.84Å; F388-I481 HydrophobicContact CE1-CB 3.87Å; F388-I481 HydrophobicContact CE1-CD1 3.79Å; F388-I481 HydrophobicContact CE1-CG1 4.44Å; F388-I481 HydrophobicContact CE1-CG2 3.61Å; F388-I481 HydrophobicContact CE2-CD1 3.91Å; F388-I481 HydrophobicContact CG-CB 4.4Å; F388-I481 HydrophobicContact CZ-CB 4.29Å; F388-I481 HydrophobicContact CZ-CD1 3.41Å; F388-I481 VanDerWaalsContact CZ-CD1 3.41Å; F388-I481 HydrophobicContact CZ-CG1 4.41Å; F388-I481 HydrophobicContact CZ-CG2 4.36Å
389	V	97.9	Very high	88.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.5	-176.3	-172.3	0	0	0	0	110.7	I387 V435 T437 W480 I481 T482 H483 V490	I387-V389 HydrophobicContact CG2-CG2 4.1Å; V389-V435 HydrophobicContact CG2-CB 4.28Å; V389-V435 HydrophobicContact CG2-CG2 4.44Å; V389-T437 HydrophobicContact CG1-CG2 3.34Å; V389-W480 HydrophobicContact CG2-CE3 3.77Å; V389-W480 HydrophobicContact CG2-CZ3 3.89Å; V389-I481 PolarHBondContact N-O 3Å; V389-T482 HydrophobicContact CB-CG2 4.21Å; V389-T482 WeakPolarHBondContact O-CA 3.25Å; V389-H483 PolarHBondContact O-N 3.08Å; V389-V490 HydrophobicContact CB-CG2 4.12Å; V389-V490 HydrophobicContact CG1-CG2 4.18Å; V389-V490 HydrophobicContact CG2-CG2 3.78Å
390	N	95.1	Very high	90.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.			trans	-80.5	158.1	-176	64.5	-93.3	0	0	0	113.5	G394 S395 T399 W400 V435 D436 T437 G486	N390-G394 WeakPolarHBondContact ND2-CA 3.46Å; N390-G394 PolarHBondContact ND2-O 3.16Å; N390-G394 VanDerWaalsContact ND2-O 3.12Å; N390-S395 PolarHBondContact ND2-N 3.4Å; N390-T399 HydrophobicContact CB-CG2 3.94Å; N390-W400 HydrophobicContact CB-CZ2 4.27Å; N390-V435 PolarHBondContact OD1-O 3.19Å; N390-D436 WeakPolarHBondContact OD1-CA 3.29Å; N390-T437 PolarHBondContact ND2-OG1 3.21Å; N390-T437 VanDerWaalsContact ND2-OG1 3.14Å; N390-T437 WeakPolarHBondContact O-CG2 3.36Å; N390-T437 PolarHBondContact O-OG1 3.1Å; N390-T437 PolarHBondContact OD1-N 2.84Å; N390-G486 WeakPolarHBondContact O-CA 3.44Å
391	G	90.3	Very high	91.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.121	C	C	.	.			trans	-80.1	-170	175.2	0	0	0	0	0	115.1	G394 H483	G391-G394 WeakPolarHBondContact O-CA 3.31Å; G391-G394 PolarHBondContact O-N 3.14Å; G391-H483 WeakPolarHBondContact CA-O 3.41Å; G391-H483 PolarHBondContact N-O 3.19Å
392	M	84.7	Confident	92.4	Very high	62 Å²	62	18.6 Å²	18.6	31%	0.305	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	137.3	175	-173.2	166.8	65	0	0	111	G394 L439 P441 A485 A671 L674	M392-G394 PolarHBondContact O-N 3.39Å; M392-G394 VanDerWaalsContact O-N 3.14Å; M392-L439 HydrophobicContact CB-CB 4.3Å; M392-L439 HydrophobicContact CG-CB 4.49Å; M392-P441 HydrophobicContact CE-CB 3.92Å; M392-P441 HydrophobicContact CE-CG 4.34Å; M392-P441 HydrophobicContact CG-CB 4.15Å; M392-P441 HydrophobicContact CG-CG 3.91Å; M392-P441 WeakPolarHBondContact SD-CA 3.37Å; M392-P441 HydrophobicContact SD-CB 3.49Å; M392-P441 WeakPolarHBondContact SD-CB 3.43Å; M392-P441 HydrophobicContact SD-CG 3.94Å; M392-A485 HydrophobicContact CB-CB 4.2Å; M392-A671 HydrophobicContact SD-CB 4.13Å; M392-L674 HydrophobicContact SD-CD1 4.4Å
393	L	80	Confident	92.5	Very high	81 Å²	81	19.8 Å²	19.8	42%	0.424	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	17.7	-168.7	-57.4	174.8	0	0	0	114	Y398 L439 P441	L393-Y398 VanDerWaalsContact C-OH 3.26Å; L393-Y398 WeakPolarHBondContact O-CE2 3.44Å; L393-Y398 PolarHBondContact O-OH 3.35Å; L393-L439 PolarHBondContact N-O 2.87Å; L393-P441 HydrophobicContact CD1-CG 3.74Å; L393-P441 HydrophobicContact CD2-CG 3.72Å; L393-P441 HydrophobicContact CG-CG 3.59Å
394	G	85.6	Confident	92.5	Very high	5 Å²	5	18.1 Å²	18.1	5%	0.052	9%	0.086	C	C	.	.			trans	-92.9	170.7	172.4	0	0	0	0	0	112.5	N390 G391 M392 Y398 T399	N390-G394 WeakPolarHBondContact ND2-CA 3.46Å; N390-G394 PolarHBondContact ND2-O 3.16Å; N390-G394 VanDerWaalsContact ND2-O 3.12Å; G391-G394 WeakPolarHBondContact O-CA 3.31Å; G391-G394 PolarHBondContact O-N 3.14Å; M392-G394 PolarHBondContact O-N 3.39Å; M392-G394 VanDerWaalsContact O-N 3.14Å; G394-Y398 WeakPolarHBondContact CA-OH 3.4Å; G394-Y398 PolarHBondContact O-OH 3.07Å; G394-T399 WeakPolarHBondContact CA-OG1 3.37Å
395	S	90.5	Very high	92.1	Very high	6 Å²	6	19.8 Å²	19.8	4%	0.042	10%	0.098	C	C	.	.			trans	-163.1	158.2	165.1	-176.1	0	0	0	0	109	N390 F397 Y398 T399 D436	N390-S395 PolarHBondContact ND2-N 3.4Å; S395-F397 PolarHBondContact O-N 3.3Å; S395-F397 VanDerWaalsContact O-N 3.12Å; S395-F397 VanDerWaalsContact OG-CD2 3.27Å; S395-F397 WeakPolarHBondContact OG-CD2 3.18Å; S395-Y398 VanDerWaalsContact N-CZ 3.29Å; S395-Y398 PolarHBondContact N-OH 3.36Å; S395-Y398 PolarHBondContact O-N 3.4Å; S395-T399 PolarHBondContact N-OG1 3.16Å; S395-T399 VanDerWaalsContact N-OG1 3.14Å; S395-T399 VanDerWaalsContact O-CB 3.28Å; S395-T399 WeakPolarHBondContact O-CB 3.21Å; S395-T399 PolarHBondContact O-N 3.33Å; S395-T399 PolarHBondContact O-OG1 3.01Å; S395-D436 WeakPolarHBondContact CB-OD2 3.35Å; S395-D436 PolarHBondContact OG-OD2 3.5Å
396	V	92.7	Very high	91.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-50.2	-36.8	173.3	175.4	0	0	0	0	111.9	L335 Y370 L372 Y398 D436	L335-V396 HydrophobicContact CD1-CG1 4.38Å; Y370-V396 HydrophobicContact CD2-CB 4.4Å; Y370-V396 HydrophobicContact CD2-CG2 4.03Å; L372-V396 HydrophobicContact CD1-CG1 4.28Å; L372-V396 HydrophobicContact CD2-CG1 3.78Å; V396-Y398 VanDerWaalsContact C-N 3.3Å; V396-Y398 PolarHBondContact O-N 3.01Å; V396-D436 HydrophobicContact CG2-CB 4.27Å
397	F	90.1	Very high	91	Very high	21 Å²	21	25 Å²	25	9%	0.092	13%	0.125	C	C	.	.	H	α-helix	trans	-75.2	-10.4	-173.6	-53.3	-71.9	0	0	0	115.6	L331 H332 L335 F336 Y370 S395	L331-F397 HydrophobicContact CD2-CD1 4.44Å; L331-F397 HydrophobicContact CG-CD1 4.39Å; H332-F397 HydrophobicContact CB-CD1 4.34Å; H332-F397 HydrophobicContact CB-CE1 4.28Å; H332-F397 AromaticContact CD2-CD1 3.39Å; H332-F397 WeakPolarHBondContact CD2-CD1 3.41Å; H332-F397 AromaticContact CD2-CD2 3.44Å; H332-F397 VanDerWaalsContact CD2-CD2 3.44Å; H332-F397 WeakPolarHBondContact CD2-CD2 3.41Å; H332-F397 AromaticContact CD2-CE1 3.7Å; H332-F397 AromaticContact CD2-CE2 3.77Å; H332-F397 AromaticContact CD2-CG 3.25Å; H332-F397 WeakPolarHBondContact CD2-CG 3.22Å; H332-F397 AromaticContact CD2-CZ 3.88Å; H332-F397 AromaticContact CE1-CG 3.87Å; H332-F397 AromaticContact CG-CD1 3.73Å; H332-F397 AromaticContact CG-CG 3.98Å; H332-F397 WeakPolarHBondContact NE2-CB 3.34Å; H332-F397 AromaticContact NE2-CD1 3.77Å; H332-F397 AromaticContact NE2-CD2 3.45Å; H332-F397 WeakPolarHBondContact NE2-CD2 3.32Å; H332-F397 AromaticContact NE2-CG 3.19Å; H332-F397 WeakPolarHBondContact NE2-CG 3.39Å; L335-F397 HydrophobicContact CB-CE1 4.21Å; L335-F397 HydrophobicContact CD1-CD1 4.1Å; L335-F397 HydrophobicContact CD1-CE1 3.8Å; F336-F397 AromaticContact CE1-CZ 3.93Å; F336-F397 HydrophobicContact CE1-CZ 3.93Å; F336-F397 HydrophobicContact CZ-CE2 4.36Å; F336-F397 AromaticContact CZ-CZ 3.85Å; F336-F397 HydrophobicContact CZ-CZ 3.85Å; Y370-F397 HydrophobicContact CD1-CZ 4.3Å; Y370-F397 HydrophobicContact CE1-CE1 4.29Å; Y370-F397 HydrophobicContact CE1-CE2 4.42Å; Y370-F397 AromaticContact CE1-CZ 3.58Å; Y370-F397 HydrophobicContact CE1-CZ 3.58Å; Y370-F397 HydrophobicContact CE2-CZ 4.49Å; Y370-F397 AromaticContact CZ-CZ 3.7Å; S395-F397 PolarHBondContact O-N 3.3Å; S395-F397 VanDerWaalsContact O-N 3.12Å; S395-F397 VanDerWaalsContact OG-CD2 3.27Å; S395-F397 WeakPolarHBondContact OG-CD2 3.18Å
398	Y	89.7	Confident	90.2	Very high	83 Å²	83	30 Å²	30	33%	0.325	16%	0.156	S	C	.	.	H	α-helix	trans	-147.8	-18.5	-177.3	61.7	-100.8	0	0	0	115.2	L393 G394 S395 V396 W400 R401	L393-Y398 VanDerWaalsContact C-OH 3.26Å; L393-Y398 WeakPolarHBondContact O-CE2 3.44Å; L393-Y398 PolarHBondContact O-OH 3.35Å; G394-Y398 WeakPolarHBondContact CA-OH 3.4Å; G394-Y398 PolarHBondContact O-OH 3.07Å; S395-Y398 VanDerWaalsContact N-CZ 3.29Å; S395-Y398 PolarHBondContact N-OH 3.36Å; S395-Y398 PolarHBondContact O-N 3.4Å; V396-Y398 VanDerWaalsContact C-N 3.3Å; V396-Y398 PolarHBondContact O-N 3.01Å; Y398-W400 VanDerWaalsContact C-N 3.26Å; Y398-W400 PolarHBondContact O-N 2.8Å; Y398-R401 WeakPolarHBondContact O-CD 3.3Å; Y398-R401 VanDerWaalsContact O-CG 3.32Å; Y398-R401 WeakPolarHBondContact O-CG 3.4Å; Y398-R401 PolarHBondContact O-NH1 2.77Å
399	T	93.5	Very high	89.3	Confident	6 Å²	6	35.2 Å²	35.2	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-32.5	175	-63.8	0	0	0	0	111.4	N390 G394 S395 H483 S742	N390-T399 HydrophobicContact CB-CG2 3.94Å; G394-T399 WeakPolarHBondContact CA-OG1 3.37Å; S395-T399 PolarHBondContact N-OG1 3.16Å; S395-T399 VanDerWaalsContact N-OG1 3.14Å; S395-T399 VanDerWaalsContact O-CB 3.28Å; S395-T399 WeakPolarHBondContact O-CB 3.21Å; S395-T399 PolarHBondContact O-N 3.33Å; S395-T399 PolarHBondContact O-OG1 3.01Å; T399-H483 HydrophobicContact CG2-CB 4.17Å; T399-S742 PolarHBondContact O-OG 2.82Å
400	W	95.9	Very high	88.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	27.7	-172.6	-42.6	117.9	0	0	0	113.9	F388 N390 Y398 C417 W418 P419 I481 H483 M645	F388-W400 HydrophobicContact CB-CD2 4.35Å; F388-W400 HydrophobicContact CB-CZ2 3.87Å; F388-W400 AromaticContact CD1-CD2 3.68Å; F388-W400 HydrophobicContact CD1-CD2 3.68Å; F388-W400 AromaticContact CD1-CE2 3.83Å; F388-W400 AromaticContact CD1-CE3 3.7Å; F388-W400 HydrophobicContact CD1-CE3 3.7Å; F388-W400 HydrophobicContact CD1-CG 4.28Å; F388-W400 AromaticContact CD1-CH2 3.99Å; F388-W400 HydrophobicContact CD1-CH2 3.99Å; F388-W400 AromaticContact CD1-CZ2 3.99Å; F388-W400 HydrophobicContact CD1-CZ2 3.99Å; F388-W400 AromaticContact CD1-CZ3 3.86Å; F388-W400 HydrophobicContact CD1-CZ3 3.86Å; F388-W400 HydrophobicContact CE1-CD2 4.48Å; F388-W400 HydrophobicContact CE1-CE3 4.19Å; F388-W400 HydrophobicContact CE1-CZ3 4.4Å; F388-W400 HydrophobicContact CG-CD2 4.41Å; F388-W400 HydrophobicContact CG-CZ2 4.46Å; N390-W400 HydrophobicContact CB-CZ2 4.27Å; Y398-W400 VanDerWaalsContact C-N 3.26Å; Y398-W400 PolarHBondContact O-N 2.8Å; W400-C417 CarbonylContact O-C 3.53Å; W400-C417 WeakPolarHBondContact O-CA 3.2Å; W400-W418 HydrophobicContact CE3-CZ2 4.29Å; W400-W418 PolarHBondContact O-N 2.82Å; W400-W418 PolarHBondContact O-NE1 3.05Å; W400-P419 HydrophobicContact CB-CG 3.71Å; W400-P419 HydrophobicContact CG-CG 4.26Å; W400-P419 WeakPolarHBondContact O-CD 3.4Å; W400-I481 HydrophobicContact CZ3-CG2 4.49Å; W400-H483 HydrophobicContact CH2-CB 3.75Å; W400-H483 HydrophobicContact CZ3-CB 4.19Å; W400-M645 HydrophobicContact CZ3-SD 4.28Å
401	R	94.2	Very high	87.9	Confident	38 Å²	38	42.4 Å²	42.4	14%	0.143	23%	0.226	C	C	.	.	S	Bend	trans	-88.2	163.9	175.7	72.3	-171.4	-170.1	-104.7	10.6	111.3	Y398 D404 Y414 K416 K743	Y398-R401 WeakPolarHBondContact O-CD 3.3Å; Y398-R401 VanDerWaalsContact O-CG 3.32Å; Y398-R401 WeakPolarHBondContact O-CG 3.4Å; Y398-R401 PolarHBondContact O-NH1 2.77Å; R401-D404 IonicContact CZ-OD1 2.71Å; R401-D404 VanDerWaalsContact CZ-OD1 3.23Å; R401-D404 IonicContact CZ-OD2 3.08Å; R401-D404 IonicContact NE-OD1 2.65Å; R401-D404 PolarHBondContact NE-OD1 3.4Å; R401-D404 IonicContact NE-OD2 3.56Å; R401-D404 VanDerWaalsContact NH2-CG 3.27Å; R401-D404 IonicContact NH2-OD1 3.04Å; R401-D404 PolarHBondContact NH2-OD1 3.39Å; R401-D404 IonicContact NH2-OD2 3.91Å; R401-D404 PolarHBondContact NH2-OD2 3.4Å; R401-Y414 WeakPolarHBondContact CB-OH 3.44Å; R401-Y414 VanDerWaalsContact CD-OH 3.31Å; R401-Y414 WeakPolarHBondContact CD-OH 3.35Å; R401-Y414 WeakPolarHBondContact CG-OH 3.42Å; R401-K416 WeakPolarHBondContact CA-O 3.4Å; R401-K416 VanDerWaalsContact CB-O 3.28Å; R401-K416 WeakPolarHBondContact CB-O 3.26Å; R401-K743 HydrophobicContact CG-CD 4Å; R401-K743 HydrophobicContact CG-CG 4.38Å; R401-K743 VanDerWaalsContact CZ-CE 3.44Å; R401-K743 VanDerWaalsContact CZ-NZ 3.3Å; R401-K743 VanDerWaalsContact NH1-CE 3.27Å; R401-K743 VanDerWaalsContact O-CA 3.31Å; R401-K743 WeakPolarHBondContact O-CA 3.49Å; R401-K743 VanDerWaalsContact O-CB 3.25Å; R401-K743 WeakPolarHBondContact O-CB 3.32Å; R401-K743 WeakPolarHBondContact O-CG 3.33Å
402	Q	94.2	Very high	87.4	Confident	7 Å²	7	47 Å²	47	3%	0.033	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68	155.4	170.8	-179.9	175	25.4	0	0	111.4	D404 M406 Y414 T415 W422 P744 M745	Q402-D404 PolarHBondContact O-N 3.48Å; Q402-M406 HydrophobicContact CG-CB 3.97Å; Q402-M406 HydrophobicContact CG-CG 3.9Å; Q402-Y414 HydrophobicContact CB-CD2 4.18Å; Q402-Y414 HydrophobicContact CB-CE2 3.85Å; Q402-Y414 HydrophobicContact CG-CD2 4.42Å; Q402-Y414 HydrophobicContact CG-CE2 4.37Å; Q402-Y414 WeakPolarHBondContact O-CE2 3.18Å; Q402-Y414 PolarHBondContact O-OH 2.98Å; Q402-T415 HydrophobicContact CB-CG2 3.49Å; Q402-T415 VanDerWaalsContact CB-CG2 3.49Å; Q402-T415 HydrophobicContact CG-CG2 4.32Å; Q402-T415 PolarHBondContact N-O 2.88Å; Q402-T415 VanDerWaalsContact N-O 3.08Å; Q402-W422 HydrophobicContact CB-CH2 4.34Å; Q402-W422 HydrophobicContact CG-CH2 4.07Å; Q402-W422 HydrophobicContact CG-CZ2 4.37Å; Q402-P744 WeakPolarHBondContact CG-O 3.28Å; Q402-M745 PolarHBondContact NE2-O 2.91Å
403	H	92.6	Very high	87.3	Confident	41 Å²	41	51 Å²	51	19%	0.19	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-49.7	132.3	178.9	-164.7	-83.2	0	0	0	112.4	S405 M406 Y740 P744 M745	H403-S405 WeakPolarHBondContact ND1-CB 3.5Å; H403-S405 PolarHBondContact ND1-N 3.5Å; H403-S405 PolarHBondContact ND1-OG 2.9Å; H403-S405 PolarHBondContact O-N 3.01Å; H403-M406 WeakPolarHBondContact O-CB 3.38Å; H403-M406 PolarHBondContact O-N 3.22Å; H403-Y740 AromaticContact CD2-CD1 3.28Å; H403-Y740 WeakPolarHBondContact CD2-CD1 3.3Å; H403-Y740 AromaticContact CD2-CG 3.7Å; H403-Y740 AromaticContact CG-CD1 3.98Å; H403-Y740 AromaticContact NE2-CD1 3.33Å; H403-Y740 VanDerWaalsContact NE2-CD1 3.33Å; H403-Y740 WeakPolarHBondContact NE2-CD1 3.4Å; H403-Y740 AromaticContact NE2-CE1 3.82Å; H403-Y740 AromaticContact NE2-CG 3.49Å; H403-P744 PolarHBondContact N-O 3.25Å; H403-M745 HydrophobicContact CB-CB 4.46Å; H403-M745 HydrophobicContact CB-CG 3.86Å
404	D	89.8	Confident	87.7	Confident	30 Å²	30	49 Å²	49	16%	0.16	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-23.3	-171.1	-66.9	0.3	0	0	0	113.4	R401 Q402 M406 L407 Y740	R401-D404 IonicContact CZ-OD1 2.71Å; R401-D404 VanDerWaalsContact CZ-OD1 3.23Å; R401-D404 IonicContact CZ-OD2 3.08Å; R401-D404 IonicContact NE-OD1 2.65Å; R401-D404 PolarHBondContact NE-OD1 3.4Å; R401-D404 IonicContact NE-OD2 3.56Å; R401-D404 VanDerWaalsContact NH2-CG 3.27Å; R401-D404 IonicContact NH2-OD1 3.04Å; R401-D404 PolarHBondContact NH2-OD1 3.39Å; R401-D404 IonicContact NH2-OD2 3.91Å; R401-D404 PolarHBondContact NH2-OD2 3.4Å; Q402-D404 PolarHBondContact O-N 3.48Å; D404-M406 PolarHBondContact O-N 2.78Å; D404-L407 VanDerWaalsContact O-CB 3.26Å; D404-L407 WeakPolarHBondContact O-CB 3.17Å; D404-L407 PolarHBondContact O-N 3.31Å; D404-L407 VanDerWaalsContact O-N 3.09Å; D404-Y740 HydrophobicContact CB-CE1 4.07Å; D404-Y740 PolarHBondContact OD2-OH 2.82Å
405	S	87.4	Confident	88	Confident	35 Å²	35	49 Å²	49	25%	0.245	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-22.2	173.1	65.5	0	0	0	0	113.6	H403 L407 T408 N409	H403-S405 WeakPolarHBondContact ND1-CB 3.5Å; H403-S405 PolarHBondContact ND1-N 3.5Å; H403-S405 PolarHBondContact ND1-OG 2.9Å; H403-S405 PolarHBondContact O-N 3.01Å; S405-L407 VanDerWaalsContact C-N 3.32Å; S405-T408 PolarHBondContact O-OG1 2.8Å; S405-N409 WeakPolarHBondContact O-CB 3.5Å; S405-N409 PolarHBondContact O-N 2.77Å; S405-N409 PolarHBondContact O-ND2 2.79Å; S405-N409 PolarHBondContact O-OD1 2.82Å
406	M	88.1	Confident	88	Confident	30 Å²	30	52.7 Å²	52.7	15%	0.148	27%	0.273	C	S	.	.	H	α-helix	trans	-76.5	-26.3	175.8	-63.2	-62.8	-87.3	0	0	111.2	Q402 H403 D404 T408 N409 N410 Y414 M745	Q402-M406 HydrophobicContact CG-CB 3.97Å; Q402-M406 HydrophobicContact CG-CG 3.9Å; H403-M406 WeakPolarHBondContact O-CB 3.38Å; H403-M406 PolarHBondContact O-N 3.22Å; D404-M406 PolarHBondContact O-N 2.78Å; M406-T408 VanDerWaalsContact C-N 3.29Å; M406-T408 PolarHBondContact O-N 3.28Å; M406-N409 PolarHBondContact O-N 3.42Å; M406-N410 CarbonylContact O-C 3.59Å; M406-N410 VanDerWaalsContact O-C 3.23Å; M406-N410 PolarHBondContact O-N 2.76Å; M406-Y414 HydrophobicContact CB-CD2 4.04Å; M406-M745 WeakPolarHBondContact CG-O 3.26Å
407	L	82.8	Confident	88.1	Confident	80 Å²	80	52.7 Å²	52.7	42%	0.419	27%	0.273	S	S	.	.	H	α-helix	trans	-64.3	-37.8	173.1	-168.6	70.2	0	0	0	110.9	D404 S405 P411 Y414	D404-L407 VanDerWaalsContact O-CB 3.26Å; D404-L407 WeakPolarHBondContact O-CB 3.17Å; D404-L407 PolarHBondContact O-N 3.31Å; D404-L407 VanDerWaalsContact O-N 3.09Å; S405-L407 VanDerWaalsContact C-N 3.32Å; L407-P411 WeakPolarHBondContact O-CB 3.4Å; L407-Y414 HydrophobicContact CB-CD2 3.99Å; L407-Y414 HydrophobicContact CB-CE2 4.08Å; L407-Y414 HydrophobicContact CB-CG 4.38Å; L407-Y414 HydrophobicContact CD1-CD1 3.72Å; L407-Y414 HydrophobicContact CD1-CD2 4.24Å; L407-Y414 HydrophobicContact CD1-CE1 4.11Å; L407-Y414 HydrophobicContact CD1-CG 3.79Å
408	T	80.4	Confident	88.4	Confident	105 Å²	105	51.8 Å²	51.8	64%	0.644	27%	0.269	S	S	*	.	H	α-helix	trans	-76.1	-34.5	177.1	57.9	0	0	0	0	112.9	S405 M406	S405-T408 PolarHBondContact O-OG1 2.8Å; M406-T408 VanDerWaalsContact C-N 3.29Å; M406-T408 PolarHBondContact O-N 3.28Å
409	N	80.9	Confident	88.7	Confident	108 Å²	108	47.8 Å²	47.8	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-89	-43.9	-171.9	-65.1	-6.7	0	0	0	112.6	S405 M406	S405-N409 WeakPolarHBondContact O-CB 3.5Å; S405-N409 PolarHBondContact O-N 2.77Å; S405-N409 PolarHBondContact O-ND2 2.79Å; S405-N409 PolarHBondContact O-OD1 2.82Å; M406-N409 PolarHBondContact O-N 3.42Å
410	N	82.2	Confident	88.7	Confident	75 Å²	75	49.5 Å²	49.5	40%	0.401	26%	0.259	S	S	.	.			trans	-143.3	69.5	-175.1	-74.8	-28.3	0	0	0	110.5	M406 T412 Q413 Y414	M406-N410 CarbonylContact O-C 3.59Å; M406-N410 VanDerWaalsContact O-C 3.23Å; M406-N410 PolarHBondContact O-N 2.76Å; N410-T412 PolarHBondContact O-N 3.06Å; N410-T412 VanDerWaalsContact O-N 3.12Å; N410-Q413 HydrophobicContact CB-CB 4.46Å; N410-Q413 PolarHBondContact O-N 3.27Å; N410-Q413 VanDerWaalsContact O-N 3.08Å; N410-Y414 PolarHBondContact O-N 2.95Å
411	P	80.2	Confident	88.5	Confident	76 Å²	76	52.3 Å²	52.3	49%	0.494	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-58.8	-28.8	-176	22.3	-33.3	0	0	0	113.3	L407 Q413 Y414	L407-P411 WeakPolarHBondContact O-CB 3.4Å; P411-Q413 VanDerWaalsContact C-N 3.31Å; P411-Q413 PolarHBondContact O-N 3.2Å; P411-Y414 WeakPolarHBondContact O-CB 3.44Å; P411-Y414 PolarHBondContact O-N 3Å
412	T	80.3	Confident	88.5	Confident	99 Å²	99	52.4 Å²	52.4	61%	0.607	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-71	-22.8	179.9	54.3	0	0	0	0	114	N410	N410-T412 PolarHBondContact O-N 3.06Å; N410-T412 VanDerWaalsContact O-N 3.12Å
413	Q	81.9	Confident	88.5	Confident	144 Å²	144	52.1 Å²	52.1	67%	0.673	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-106.8	5.6	179	-65	-178	-7.9	0	0	112.3	N410 P411 T415	N410-Q413 HydrophobicContact CB-CB 4.46Å; N410-Q413 PolarHBondContact O-N 3.27Å; N410-Q413 VanDerWaalsContact O-N 3.08Å; P411-Q413 VanDerWaalsContact C-N 3.31Å; P411-Q413 PolarHBondContact O-N 3.2Å; Q413-T415 PolarHBondContact O-N 3.41Å
414	Y	89.6	Confident	88.5	Confident	40 Å²	40	50.8 Å²	50.8	16%	0.157	27%	0.269	C	S	.	.			trans	-72.2	125.1	-176.2	-179.2	-98.5	0	0	0	111.6	R401 Q402 M406 L407 N410 P411 K416	R401-Y414 WeakPolarHBondContact CB-OH 3.44Å; R401-Y414 VanDerWaalsContact CD-OH 3.31Å; R401-Y414 WeakPolarHBondContact CD-OH 3.35Å; R401-Y414 WeakPolarHBondContact CG-OH 3.42Å; Q402-Y414 HydrophobicContact CB-CD2 4.18Å; Q402-Y414 HydrophobicContact CB-CE2 3.85Å; Q402-Y414 HydrophobicContact CG-CD2 4.42Å; Q402-Y414 HydrophobicContact CG-CE2 4.37Å; Q402-Y414 WeakPolarHBondContact O-CE2 3.18Å; Q402-Y414 PolarHBondContact O-OH 2.98Å; M406-Y414 HydrophobicContact CB-CD2 4.04Å; L407-Y414 HydrophobicContact CB-CD2 3.99Å; L407-Y414 HydrophobicContact CB-CE2 4.08Å; L407-Y414 HydrophobicContact CB-CG 4.38Å; L407-Y414 HydrophobicContact CD1-CD1 3.72Å; L407-Y414 HydrophobicContact CD1-CD2 4.24Å; L407-Y414 HydrophobicContact CD1-CE1 4.11Å; L407-Y414 HydrophobicContact CD1-CG 3.79Å; N410-Y414 PolarHBondContact O-N 2.95Å; P411-Y414 WeakPolarHBondContact O-CB 3.44Å; P411-Y414 PolarHBondContact O-N 3Å; Y414-K416 HydrophobicContact CD1-CG 4.32Å; Y414-K416 HydrophobicContact CE1-CG 4.19Å
415	T	90.9	Very high	88.5	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.031	29%	0.286	C	S	.	.			trans	-90	127	170.6	171.4	0	0	0	0	111.9	Q402 Q413 C417 W418 D421 W422	Q402-T415 HydrophobicContact CB-CG2 3.49Å; Q402-T415 VanDerWaalsContact CB-CG2 3.49Å; Q402-T415 HydrophobicContact CG-CG2 4.32Å; Q402-T415 PolarHBondContact N-O 2.88Å; Q402-T415 VanDerWaalsContact N-O 3.08Å; Q413-T415 PolarHBondContact O-N 3.41Å; T415-C417 VanDerWaalsContact C-N 3.33Å; T415-C417 PolarHBondContact OG1-N 2.84Å; T415-C417 VanDerWaalsContact OG1-N 3.12Å; T415-C417 PolarHBondContact OG1-O 2.83Å; T415-W418 HydrophobicContact CG2-CB 3.9Å; T415-W418 PolarHBondContact OG1-N 2.81Å; T415-D421 VanDerWaalsContact CB-OD2 3.25Å; T415-D421 WeakPolarHBondContact CB-OD2 3.34Å; T415-D421 PolarHBondContact OG1-OD2 3.46Å; T415-W422 HydrophobicContact CG2-CD2 4.42Å; T415-W422 HydrophobicContact CG2-CH2 3.95Å; T415-W422 HydrophobicContact CG2-CZ2 3.27Å
416	K	91.4	Very high	88.7	Confident	84 Å²	84	58.3 Å²	58.3	37%	0.365	29%	0.294	S	S	.	.	S	Bend	trans	-75.7	-21.7	172.3	-63	-176.9	-178.8	-178	0	112.3	A329 L331 R401 Y414	A329-K416 PolarHBondContact O-NZ 2.92Å; L331-K416 HydrophobicContact CB-CB 4.19Å; L331-K416 HydrophobicContact CB-CD 4.25Å; L331-K416 HydrophobicContact CD2-CB 4.15Å; R401-K416 WeakPolarHBondContact CA-O 3.4Å; R401-K416 VanDerWaalsContact CB-O 3.28Å; R401-K416 WeakPolarHBondContact CB-O 3.26Å; Y414-K416 HydrophobicContact CD1-CG 4.32Å; Y414-K416 HydrophobicContact CE1-CG 4.19Å
417	C	94.5	Very high	88.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.			trans	-150.6	91.6	-179.4	-168.6	0	0	0	0	110	L331 W400 T415 P419 R420 D421	L331-C417 HydrophobicContact CD1-CB 3.95Å; L331-C417 HydrophobicContact CD2-CB 3.77Å; W400-C417 CarbonylContact O-C 3.53Å; W400-C417 WeakPolarHBondContact O-CA 3.2Å; T415-C417 VanDerWaalsContact C-N 3.33Å; T415-C417 PolarHBondContact OG1-N 2.84Å; T415-C417 VanDerWaalsContact OG1-N 3.12Å; T415-C417 PolarHBondContact OG1-O 2.83Å; C417-P419 VanDerWaalsContact C-N 3.33Å; C417-R420 HydrophobicContact CB-CB 3.95Å; C417-R420 WeakPolarHBondContact O-CB 3.38Å; C417-R420 PolarHBondContact O-N 2.81Å; C417-R420 VanDerWaalsContact O-N 3.07Å; C417-D421 PolarHBondContact O-N 2.86Å
418	W	95.7	Very high	89.3	Confident	1 Å²	1	57 Å²	57	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-29.7	-177.3	69.9	-103.1	0	0	0	114.1	F388 W400 T415 R420 D421 W422 L423 S742 P744 Y752 I755	F388-W418 AromaticContact CE1-CH2 3.4Å; F388-W418 HydrophobicContact CE1-CH2 3.4Å; F388-W418 AromaticContact CE1-CZ2 3.68Å; F388-W418 HydrophobicContact CE1-CZ2 3.68Å; F388-W418 HydrophobicContact CE1-CZ3 4.19Å; F388-W418 AromaticContact CZ-CH2 3.62Å; F388-W418 HydrophobicContact CZ-CH2 3.62Å; F388-W418 HydrophobicContact CZ-CZ2 4.31Å; F388-W418 AromaticContact CZ-CZ3 3.99Å; F388-W418 HydrophobicContact CZ-CZ3 3.99Å; W400-W418 HydrophobicContact CE3-CZ2 4.29Å; W400-W418 PolarHBondContact O-N 2.82Å; W400-W418 PolarHBondContact O-NE1 3.05Å; T415-W418 HydrophobicContact CG2-CB 3.9Å; T415-W418 PolarHBondContact OG1-N 2.81Å; W418-R420 VanDerWaalsContact C-N 3.29Å; W418-R420 PolarHBondContact O-N 2.93Å; W418-D421 PolarHBondContact O-N 3.1Å; W418-W422 HydrophobicContact CB-CD2 3.83Å; W418-W422 HydrophobicContact CB-CE3 3.58Å; W418-W422 HydrophobicContact CB-CG 4.47Å; W418-W422 HydrophobicContact CB-CH2 4.21Å; W418-W422 HydrophobicContact CB-CZ2 4.48Å; W418-W422 HydrophobicContact CB-CZ3 3.78Å; W418-W422 HydrophobicContact CG-CE3 4.32Å; W418-W422 HydrophobicContact CG-CZ3 4.38Å; W418-W422 WeakPolarHBondContact O-CB 3.48Å; W418-W422 PolarHBondContact O-N 3.22Å; W418-L423 HydrophobicContact CZ3-CB 4.44Å; W418-L423 HydrophobicContact CZ3-CD2 4.4Å; W418-L423 PolarHBondContact O-N 3.48Å; W418-S742 PolarHBondContact NE1-O 2.92Å; W418-P744 HydrophobicContact CB-CG 4.46Å; W418-P744 HydrophobicContact CD2-CG 3.96Å; W418-P744 HydrophobicContact CG-CG 3.79Å; W418-Y752 AromaticContact CE3-CD2 3.73Å; W418-Y752 HydrophobicContact CE3-CD2 3.73Å; W418-Y752 AromaticContact CE3-CE2 3.93Å; W418-Y752 HydrophobicContact CE3-CE2 3.93Å; W418-Y752 AromaticContact CZ3-CD2 3.77Å; W418-Y752 HydrophobicContact CZ3-CD2 3.77Å; W418-Y752 HydrophobicContact CZ3-CE2 4.02Å; W418-I755 HydrophobicContact CH2-CD1 3.92Å; W418-I755 HydrophobicContact CZ2-CD1 4.45Å
419	P	95.8	Very high	89.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.273	C	S	.	.	I	π-helix	trans	-63	-38.6	173	-25.2	36.8	0	0	0	112.3	L372 F388 W400 C417 L423 S424 I432	L372-P419 HydrophobicContact CD1-CB 4.42Å; F388-P419 HydrophobicContact CD1-CG 3.98Å; F388-P419 HydrophobicContact CD2-CB 4.11Å; F388-P419 HydrophobicContact CD2-CG 4.36Å; F388-P419 HydrophobicContact CE1-CB 4.13Å; F388-P419 HydrophobicContact CE1-CG 3.59Å; F388-P419 HydrophobicContact CE2-CB 3.61Å; F388-P419 HydrophobicContact CE2-CG 4.02Å; F388-P419 HydrophobicContact CG-CG 4.33Å; F388-P419 HydrophobicContact CZ-CB 3.61Å; F388-P419 HydrophobicContact CZ-CG 3.6Å; W400-P419 HydrophobicContact CB-CG 3.71Å; W400-P419 HydrophobicContact CG-CG 4.26Å; W400-P419 WeakPolarHBondContact O-CD 3.4Å; C417-P419 VanDerWaalsContact C-N 3.33Å; P419-L423 VanDerWaalsContact O-CB 3.3Å; P419-L423 WeakPolarHBondContact O-CB 3.42Å; P419-L423 PolarHBondContact O-N 3.49Å; P419-S424 PolarHBondContact O-N 3.1Å; P419-S424 VanDerWaalsContact O-N 3.11Å; P419-I432 HydrophobicContact CB-CG2 4.14Å; P419-I432 WeakPolarHBondContact O-CD1 3.45Å
420	R	93.6	Very high	90.3	Very high	42 Å²	42	49.3 Å²	49.3	16%	0.158	25%	0.245	C	C	.	.	I	π-helix	trans	-68.7	-48.6	175.8	178.1	-175	-178.7	-68.4	-11.3	110.9	L372 D374 C417 W418 S424	L372-R420 HydrophobicContact CB-CB 4.41Å; L372-R420 WeakPolarHBondContact O-CA 3.35Å; L372-R420 VanDerWaalsContact O-CB 3.26Å; L372-R420 WeakPolarHBondContact O-CB 3.35Å; L372-R420 VanDerWaalsContact O-CG 3.27Å; L372-R420 WeakPolarHBondContact O-CG 3.37Å; D374-R420 IonicContact OD1-CZ 3.06Å; D374-R420 IonicContact OD1-NH1 3.95Å; D374-R420 PolarHBondContact OD1-NH1 3.49Å; D374-R420 IonicContact OD1-NH2 2.83Å; D374-R420 PolarHBondContact OD1-NH2 3.37Å; C417-R420 HydrophobicContact CB-CB 3.95Å; C417-R420 WeakPolarHBondContact O-CB 3.38Å; C417-R420 PolarHBondContact O-N 2.81Å; C417-R420 VanDerWaalsContact O-N 3.07Å; W418-R420 VanDerWaalsContact C-N 3.29Å; W418-R420 PolarHBondContact O-N 2.93Å; R420-S424 VanDerWaalsContact O-CB 3.28Å; R420-S424 WeakPolarHBondContact O-CB 3.35Å; R420-S424 PolarHBondContact O-OG 2.97Å
421	D	92.6	Very high	90.8	Very high	58 Å²	58	45.9 Å²	45.9	31%	0.31	23%	0.227	S	C	.	.	I	π-helix	trans	-87.7	-26.1	-167.1	-58.4	-18.2	0	0	0	113.4	T415 C417 W418	T415-D421 VanDerWaalsContact CB-OD2 3.25Å; T415-D421 WeakPolarHBondContact CB-OD2 3.34Å; T415-D421 PolarHBondContact OG1-OD2 3.46Å; C417-D421 PolarHBondContact O-N 2.86Å; W418-D421 PolarHBondContact O-N 3.1Å
422	W	94.6	Very high	91.6	Very high	41 Å²	41	42.3 Å²	42.3	16%	0.155	20%	0.203	C	C	.	.	I	π-helix	trans	-112.1	-47.5	-177.8	-54	-18.3	0	0	0	112.8	Q402 T415 W418 R426 P744 P747 Y752	Q402-W422 HydrophobicContact CB-CH2 4.34Å; Q402-W422 HydrophobicContact CG-CH2 4.07Å; Q402-W422 HydrophobicContact CG-CZ2 4.37Å; T415-W422 HydrophobicContact CG2-CD2 4.42Å; T415-W422 HydrophobicContact CG2-CH2 3.95Å; T415-W422 HydrophobicContact CG2-CZ2 3.27Å; W418-W422 HydrophobicContact CB-CD2 3.83Å; W418-W422 HydrophobicContact CB-CE3 3.58Å; W418-W422 HydrophobicContact CB-CG 4.47Å; W418-W422 HydrophobicContact CB-CH2 4.21Å; W418-W422 HydrophobicContact CB-CZ2 4.48Å; W418-W422 HydrophobicContact CB-CZ3 3.78Å; W418-W422 HydrophobicContact CG-CE3 4.32Å; W418-W422 HydrophobicContact CG-CZ3 4.38Å; W418-W422 WeakPolarHBondContact O-CB 3.48Å; W418-W422 PolarHBondContact O-N 3.22Å; W422-R426 PolarHBondContact O-N 3.16Å; W422-P744 HydrophobicContact CE3-CG 4.41Å; W422-P744 HydrophobicContact CH2-CG 4.37Å; W422-P744 HydrophobicContact CZ3-CB 3.94Å; W422-P744 HydrophobicContact CZ3-CG 3.59Å; W422-P747 HydrophobicContact CD2-CG 3.88Å; W422-P747 HydrophobicContact CE3-CG 4.09Å; W422-P747 HydrophobicContact CG-CG 4.27Å; W422-P747 HydrophobicContact CZ2-CG 4.34Å; W422-P747 HydrophobicContact CZ3-CG 4.44Å; W422-Y752 HydrophobicContact CB-CE2 3.92Å; W422-Y752 AromaticContact CE3-CD2 4Å; W422-Y752 HydrophobicContact CE3-CD2 4Å; W422-Y752 HydrophobicContact CE3-CE2 4.09Å; W422-Y752 HydrophobicContact CE3-CG 4.38Å
423	L	93.9	Very high	92.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-74.4	-37.2	-172.5	-165.5	70.2	0	0	0	112.2	I386 F388 W418 P419 H425 R426 F427 I432 Y752 V756 I759	I386-L423 HydrophobicContact CD1-CD2 3.94Å; I386-L423 HydrophobicContact CD1-CG 4.36Å; I386-L423 HydrophobicContact CG2-CD2 4.17Å; F388-L423 HydrophobicContact CE2-CD2 3.79Å; F388-L423 HydrophobicContact CZ-CD2 3.67Å; W418-L423 HydrophobicContact CZ3-CB 4.44Å; W418-L423 HydrophobicContact CZ3-CD2 4.4Å; W418-L423 PolarHBondContact O-N 3.48Å; P419-L423 VanDerWaalsContact O-CB 3.3Å; P419-L423 WeakPolarHBondContact O-CB 3.42Å; P419-L423 PolarHBondContact O-N 3.49Å; L423-H425 VanDerWaalsContact C-N 3.28Å; L423-H425 PolarHBondContact O-N 3.37Å; L423-R426 PolarHBondContact O-N 3.05Å; L423-R426 VanDerWaalsContact O-N 3.14Å; L423-F427 HydrophobicContact CD1-CD2 3.48Å; L423-F427 VanDerWaalsContact CD1-CD2 3.48Å; L423-F427 HydrophobicContact CD1-CE2 3.45Å; L423-F427 VanDerWaalsContact CD1-CE2 3.45Å; L423-F427 HydrophobicContact CG-CD2 3.95Å; L423-F427 HydrophobicContact CG-CE2 4.4Å; L423-F427 PolarHBondContact O-N 3.12Å; L423-I432 HydrophobicContact CB-CD1 3.94Å; L423-I432 HydrophobicContact CD2-CD1 4.16Å; L423-I432 HydrophobicContact CG-CD1 4.04Å; L423-Y752 HydrophobicContact CD1-CE2 4.42Å; L423-V756 HydrophobicContact CD1-CG2 4.2Å; L423-I759 HydrophobicContact CD1-CD1 4.37Å
424	S	91.1	Very high	93.1	Very high	13 Å²	13	30.7 Å²	30.7	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-36.9	177.2	78.8	0	0	0	0	112.3	P419 R420 F427 P428 I432	P419-S424 PolarHBondContact O-N 3.1Å; P419-S424 VanDerWaalsContact O-N 3.11Å; R420-S424 VanDerWaalsContact O-CB 3.28Å; R420-S424 WeakPolarHBondContact O-CB 3.35Å; R420-S424 PolarHBondContact O-OG 2.97Å; S424-F427 CarbonylContact O-C 3.59Å; S424-P428 WeakPolarHBondContact O-CA 3.34Å; S424-I432 VanDerWaalsContact CA-CD1 3.47Å; S424-I432 VanDerWaalsContact N-CD1 3.31Å
425	H	90.5	Very high	93.5	Very high	112 Å²	112	28.8 Å²	28.8	52%	0.519	14%	0.135	S	C	.	.	H	α-helix	trans	-71.2	-35.9	175.6	-173.5	72.8	0	0	0	112.1	L423	L423-H425 VanDerWaalsContact C-N 3.28Å; L423-H425 PolarHBondContact O-N 3.37Å
426	R	92.2	Very high	93.5	Very high	112 Å²	112	29.5 Å²	29.5	42%	0.423	14%	0.138	S	C	.	.	H	α-helix	trans	-71.8	-36	178.6	-174.8	65.7	-173.4	130.1	-11.1	112.5	W422 L423 V756 E760	W422-R426 PolarHBondContact O-N 3.16Å; L423-R426 PolarHBondContact O-N 3.05Å; L423-R426 VanDerWaalsContact O-N 3.14Å; R426-V756 HydrophobicContact CG-CG1 4.25Å; R426-E760 IonicContact CZ-OE1 2.85Å; R426-E760 IonicContact NE-OE1 3.15Å; R426-E760 PolarHBondContact NE-OE1 3.2Å; R426-E760 IonicContact NH2-OE1 2.82Å; R426-E760 PolarHBondContact NH2-OE1 3.22Å; R426-E760 IonicContact NH2-OE2 3.87Å
427	F	92	Very high	93.3	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.031	12%	0.121	C	C	.	.			trans	-126.4	70.4	-178.4	-57.6	-80.6	0	0	0	111.1	F384 L423 S424 Q429 A430 V756 I759 E760	F384-F427 HydrophobicContact CZ-CD1 4.33Å; L423-F427 HydrophobicContact CD1-CD2 3.48Å; L423-F427 VanDerWaalsContact CD1-CD2 3.48Å; L423-F427 HydrophobicContact CD1-CE2 3.45Å; L423-F427 VanDerWaalsContact CD1-CE2 3.45Å; L423-F427 HydrophobicContact CG-CD2 3.95Å; L423-F427 HydrophobicContact CG-CE2 4.4Å; L423-F427 PolarHBondContact O-N 3.12Å; S424-F427 CarbonylContact O-C 3.59Å; F427-Q429 PolarHBondContact O-N 3.44Å; F427-Q429 VanDerWaalsContact O-N 3.17Å; F427-A430 HydrophobicContact CB-CB 3.81Å; F427-A430 WeakPolarHBondContact O-CB 3.49Å; F427-A430 PolarHBondContact O-N 3.24Å; F427-V756 HydrophobicContact CE2-CG1 4.43Å; F427-V756 HydrophobicContact CE2-CG2 4.44Å; F427-V756 HydrophobicContact CZ-CG1 4.27Å; F427-I759 HydrophobicContact CD1-CG2 4.1Å; F427-I759 HydrophobicContact CE1-CB 4.28Å; F427-I759 HydrophobicContact CE1-CG2 3.53Å; F427-I759 HydrophobicContact CE2-CB 4.37Å; F427-I759 HydrophobicContact CE2-CD1 4.27Å; F427-I759 HydrophobicContact CE2-CG2 4.12Å; F427-I759 HydrophobicContact CZ-CB 3.82Å; F427-I759 HydrophobicContact CZ-CG2 3.54Å; F427-E760 HydrophobicContact CE1-CG 3.93Å; F427-E760 HydrophobicContact CZ-CG 3.86Å
428	P	90	Very high	92.5	Very high	75 Å²	75	26.3 Å²	26.3	49%	0.487	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.2	-177.8	25.3	-35.7	0	0	0	114	S424 A430	S424-P428 WeakPolarHBondContact O-CA 3.34Å; P428-A430 VanDerWaalsContact C-N 3.28Å
429	Q	89.8	Confident	91.6	Very high	52 Å²	52	26.4 Å²	26.4	24%	0.243	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.9	175.2	72.7	-86.1	34.3	0	0	113.9	Y382 D383 F384 F427 L768	Y382-Q429 CarbonylContact C-O 3.56Å; Y382-Q429 WeakPolarHBondContact CA-O 3.32Å; D383-Q429 HydrophobicContact CB-CB 4.41Å; D383-Q429 HydrophobicContact CB-CG 4.33Å; D383-Q429 PolarHBondContact N-O 3.14Å; D383-Q429 WeakPolarHBondContact OD2-CB 3.2Å; F384-Q429 HydrophobicContact CD1-CG 4.4Å; F384-Q429 HydrophobicContact CE1-CG 3.65Å; F384-Q429 HydrophobicContact CZ-CG 4.34Å; F427-Q429 PolarHBondContact O-N 3.44Å; F427-Q429 VanDerWaalsContact O-N 3.17Å; Q429-L768 HydrophobicContact CG-CD1 4.02Å
430	A	92.8	Very high	90.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.5	-179.3	0	0	0	0	0	111.2	N373 Y382 F384 I386 F427 P428	N373-A430 PolarHBondContact ND2-O 3Å; Y382-A430 VanDerWaalsContact CD1-C 3.47Å; F384-A430 HydrophobicContact CD2-CB 3.92Å; F384-A430 HydrophobicContact CE1-CB 4.29Å; F384-A430 HydrophobicContact CE2-CB 3.42Å; F384-A430 VanDerWaalsContact CE2-CB 3.42Å; F384-A430 HydrophobicContact CZ-CB 3.63Å; F384-A430 WeakPolarHBondContact O-CA 3.09Å; I386-A430 HydrophobicContact CD1-CB 3.76Å; I386-A430 HydrophobicContact CG1-CB 4.06Å; F427-A430 HydrophobicContact CB-CB 3.81Å; F427-A430 WeakPolarHBondContact O-CB 3.49Å; F427-A430 PolarHBondContact O-N 3.24Å; P428-A430 VanDerWaalsContact C-N 3.28Å
431	R	94.3	Very high	89.1	Confident	3 Å²	3	27.1 Å²	27.1	1%	0.011	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.2	165.7	-166.2	170.8	62.1	161.1	4	108.8	N373 Y382 F384 D385 I386 I433 A471	N373-R431 WeakPolarHBondContact OD1-CA 3.46Å; Y382-R431 HydrophobicContact CD1-CB 4.08Å; Y382-R431 HydrophobicContact CD2-CB 3.57Å; Y382-R431 HydrophobicContact CD2-CG 3.8Å; Y382-R431 HydrophobicContact CE1-CB 4.46Å; Y382-R431 HydrophobicContact CE2-CB 3.98Å; Y382-R431 HydrophobicContact CE2-CG 3.79Å; Y382-R431 HydrophobicContact CG-CB 3.6Å; Y382-R431 HydrophobicContact CG-CG 4.33Å; F384-R431 PolarHBondContact O-N 3.12Å; D385-R431 CarbonylContact C-O 3.56Å; D385-R431 WeakPolarHBondContact CA-O 3.35Å; D385-R431 VanDerWaalsContact CG-NH2 3.31Å; D385-R431 WeakPolarHBondContact OD1-CB 3.49Å; D385-R431 IonicContact OD1-CZ 2.81Å; D385-R431 VanDerWaalsContact OD1-CZ 3.26Å; D385-R431 IonicContact OD1-NE 2.73Å; D385-R431 PolarHBondContact OD1-NE 3.39Å; D385-R431 IonicContact OD1-NH2 4Å; D385-R431 PolarHBondContact OD1-NH2 3.44Å; D385-R431 VanDerWaalsContact OD1-NH2 3.08Å; D385-R431 IonicContact OD2-CZ 2.68Å; D385-R431 IonicContact OD2-NE 3.28Å; D385-R431 IonicContact OD2-NH2 3.18Å; D385-R431 PolarHBondContact OD2-NH2 3.38Å; I386-R431 PolarHBondContact N-O 2.67Å; R431-I433 HydrophobicContact CG-CD1 4.43Å; R431-I433 HydrophobicContact CG-CG1 4.25Å; R431-A471 VanDerWaalsContact CZ-O 3.3Å; R431-A471 PolarHBondContact NH1-O 3.04Å; R431-A471 PolarHBondContact NH2-O 3.05Å
432	I	95.7	Very high	87.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120	-179.4	-52.9	-173.1	0	0	0	108.8	N371 L372 N373 I386 F388 P419 L423 S424	N371-I432 PolarHBondContact OD1-O 2.92Å; L372-I432 HydrophobicContact CB-CB 4.21Å; L372-I432 HydrophobicContact CB-CG2 3.86Å; L372-I432 HydrophobicContact CD1-CG2 4.26Å; L372-I432 PolarHBondContact N-O 2.87Å; N373-I432 PolarHBondContact OD1-N 3.03Å; I386-I432 WeakPolarHBondContact O-CA 3.47Å; F388-I432 HydrophobicContact CD2-CG2 3.88Å; F388-I432 HydrophobicContact CE2-CG2 3.76Å; P419-I432 HydrophobicContact CB-CG2 4.14Å; P419-I432 WeakPolarHBondContact O-CD1 3.45Å; L423-I432 HydrophobicContact CB-CD1 3.94Å; L423-I432 HydrophobicContact CD2-CD1 4.16Å; L423-I432 HydrophobicContact CG-CD1 4.04Å; S424-I432 VanDerWaalsContact CA-CD1 3.47Å; S424-I432 VanDerWaalsContact N-CD1 3.31Å
433	I	96.9	Very high	86.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.4	-177.7	-66.3	176.7	0	0	0	109.9	V369 Y370 I386 I387 F388 R431 V435 V473	V369-I433 HydrophobicContact CG1-CG2 3.56Å; Y370-I433 CarbonylContact O-C 3.43Å; Y370-I433 VanDerWaalsContact O-CA 3.3Å; Y370-I433 WeakPolarHBondContact O-CA 3.45Å; I386-I433 PolarHBondContact O-N 3.14Å; I387-I433 CarbonylContact C-O 3.56Å; I387-I433 WeakPolarHBondContact CA-O 3.03Å; I387-I433 HydrophobicContact CG1-CB 4.44Å; I387-I433 HydrophobicContact CG2-CG2 4.37Å; F388-I433 PolarHBondContact N-O 3.04Å; R431-I433 HydrophobicContact CG-CD1 4.43Å; R431-I433 HydrophobicContact CG-CG1 4.25Å; I433-V435 HydrophobicContact CG2-CG2 4.31Å; I433-V473 HydrophobicContact CD1-CG2 3.62Å
434	G	97.3	Very high	84.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.6	167.5	0	0	0	0	0	111.5	Y370	Y370-G434 PolarHBondContact N-O 2.88Å; Y370-G434 PolarHBondContact O-N 3.4Å
435	V	97.2	Very high	82.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.2	176.3	178.9	0	0	0	0	109.9	D368 I387 F388 V389 N390 I433 T437 I464 L468	D368-V435 CarbonylContact O-C 3.55Å; D368-V435 VanDerWaalsContact O-CA 3.31Å; D368-V435 WeakPolarHBondContact O-CA 3.46Å; I387-V435 HydrophobicContact CG2-CG2 3.66Å; F388-V435 PolarHBondContact O-N 3.48Å; V389-V435 HydrophobicContact CG2-CB 4.28Å; V389-V435 HydrophobicContact CG2-CG2 4.44Å; N390-V435 PolarHBondContact OD1-O 3.19Å; I433-V435 HydrophobicContact CG2-CG2 4.31Å; V435-T437 PolarHBondContact O-N 3.29Å; V435-I464 HydrophobicContact CG1-CD1 4.15Å; V435-I464 HydrophobicContact CG1-CG1 4.43Å; V435-I464 HydrophobicContact CG1-CG2 3.7Å; V435-L468 HydrophobicContact CG2-CD2 3.83Å
436	D	92.5	Very high	80.8	Confident	20 Å²	20	35.7 Å²	35.7	11%	0.107	18%	0.178	C	C	.	.			trans	-85.6	97.9	172.1	-165.7	-15.9	0	0	0	111.2	D368 Y370 N390 S395 V396 S438	D368-D436 WeakPolarHBondContact CB-O 3.49Å; D368-D436 PolarHBondContact O-N 3.29Å; Y370-D436 HydrophobicContact CE2-CB 4.19Å; N390-D436 WeakPolarHBondContact OD1-CA 3.29Å; S395-D436 WeakPolarHBondContact CB-OD2 3.35Å; S395-D436 PolarHBondContact OG-OD2 3.5Å; V396-D436 HydrophobicContact CG2-CB 4.27Å; D436-S438 PolarHBondContact O-N 3.4Å; D436-S438 VanDerWaalsContact O-N 3.12Å; D436-S438 PolarHBondContact OD1-N 3.47Å; D436-S438 VanDerWaalsContact OD1-N 3.14Å
437	T	86.2	Confident	79.1	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.			trans	-64.3	-21.6	-175.2	63.8	0	0	0	0	113.6	V389 N390 V435 L439 R460 I464 L489	V389-T437 HydrophobicContact CG1-CG2 3.34Å; N390-T437 PolarHBondContact ND2-OG1 3.21Å; N390-T437 VanDerWaalsContact ND2-OG1 3.14Å; N390-T437 WeakPolarHBondContact O-CG2 3.36Å; N390-T437 PolarHBondContact O-OG1 3.1Å; N390-T437 PolarHBondContact OD1-N 2.84Å; V435-T437 PolarHBondContact O-N 3.29Å; T437-L439 PolarHBondContact O-N 3.23Å; T437-L439 VanDerWaalsContact O-N 3.13Å; T437-R460 PolarHBondContact O-NH2 3.27Å; T437-I464 HydrophobicContact CG2-CD1 4.4Å; T437-L489 HydrophobicContact CG2-CD2 3.44Å; T437-L489 VanDerWaalsContact CG2-CD2 3.44Å
438	S	77.6	Confident	77.3	Confident	16 Å²	16	31.2 Å²	31.2	11%	0.112	16%	0.164	C	C	.	.			trans	51.1	28.4	-175	-61.6	0	0	0	0	114.5	D436 K440	D436-S438 PolarHBondContact O-N 3.4Å; D436-S438 VanDerWaalsContact O-N 3.12Å; D436-S438 PolarHBondContact OD1-N 3.47Å; D436-S438 VanDerWaalsContact OD1-N 3.14Å; S438-K440 PolarHBondContact O-N 3.32Å
439	L	77.1	Confident	75.6	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	15%	0.151	C	C	.	.			trans	-71	121.7	174.6	-61.8	175.3	0	0	0	109.7	M392 L393 T437 L457 R460 A485 L489 E670	M392-L439 HydrophobicContact CB-CB 4.3Å; M392-L439 HydrophobicContact CG-CB 4.49Å; L393-L439 PolarHBondContact N-O 2.87Å; T437-L439 PolarHBondContact O-N 3.23Å; T437-L439 VanDerWaalsContact O-N 3.13Å; L439-L457 HydrophobicContact CD1-CD2 4.42Å; L439-L457 HydrophobicContact CD2-CD2 4.02Å; L439-R460 HydrophobicContact CD2-CG 4.44Å; L439-A485 HydrophobicContact CD1-CB 3.93Å; L439-L489 HydrophobicContact CD1-CD2 4.41Å; L439-E670 WeakPolarHBondContact CA-OE1 3.45Å; L439-E670 HydrophobicContact CD2-CB 4.3Å; L439-E670 HydrophobicContact CD2-CG 4.41Å; L439-E670 WeakPolarHBondContact CD2-OE2 3.42Å
440	K	72	Confident	73.8	Confident	49 Å²	49	28.3 Å²	28.3	21%	0.213	15%	0.147	C	C	.	.			trans	-119.6	131.7	-179	-55.3	-60.3	-178.5	-170.2	0	109.8	S438 F442 H445 I447 T668 E670	S438-K440 PolarHBondContact O-N 3.32Å; K440-F442 PolarHBondContact O-N 2.7Å; K440-H445 HydrophobicContact CB-CB 3.9Å; K440-H445 HydrophobicContact CD-CB 4.26Å; K440-H445 HydrophobicContact CG-CB 4Å; K440-I447 HydrophobicContact CG-CG1 4.39Å; K440-T668 WeakPolarHBondContact O-CB 3.34Å; K440-T668 WeakPolarHBondContact O-CG2 3.16Å; K440-T668 PolarHBondContact O-OG1 3.44Å; K440-E670 PolarHBondContact N-OE1 3.05Å; K440-E670 VanDerWaalsContact O-OE1 3.05Å
441	P	64.8	Low	72.2	Confident	8 Å²	8	29.3 Å²	29.3	5%	0.052	15%	0.152	C	C	.	.	S	Bend	trans	-69.7	-36	-175.8	8.5	-9.1	0	0	0	113.3	M392 L393 H445 L667 T668 A671	M392-P441 HydrophobicContact CE-CB 3.92Å; M392-P441 HydrophobicContact CE-CG 4.34Å; M392-P441 HydrophobicContact CG-CB 4.15Å; M392-P441 HydrophobicContact CG-CG 3.91Å; M392-P441 WeakPolarHBondContact SD-CA 3.37Å; M392-P441 HydrophobicContact SD-CB 3.49Å; M392-P441 WeakPolarHBondContact SD-CB 3.43Å; M392-P441 HydrophobicContact SD-CG 3.94Å; L393-P441 HydrophobicContact CD1-CG 3.74Å; L393-P441 HydrophobicContact CD2-CG 3.72Å; L393-P441 HydrophobicContact CG-CG 3.59Å; P441-H445 VanDerWaalsContact CD-CE1 3.49Å; P441-H445 WeakPolarHBondContact CD-CE1 3.28Å; P441-L667 CarbonylContact O-C 3.53Å; P441-L667 VanDerWaalsContact O-CA 3.28Å; P441-L667 WeakPolarHBondContact O-CA 3.32Å; P441-L667 WeakPolarHBondContact O-CD2 3.41Å; P441-T668 PolarHBondContact O-N 3.09Å; P441-T668 PolarHBondContact O-OG1 3.27Å; P441-A671 WeakPolarHBondContact O-CB 3.34Å
442	F	65.2	Low	70.2	Confident	47 Å²	47	34 Å²	34	21%	0.206	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-119	146.4	-171.9	-53	-67.7	0	0	0	112.8	K440 W444 H445 L658 A666 L667 T668	K440-F442 PolarHBondContact O-N 2.7Å; F442-W444 HydrophobicContact CB-CD2 3.8Å; F442-W444 HydrophobicContact CB-CG 4.09Å; F442-W444 HydrophobicContact CB-CH2 4.48Å; F442-W444 HydrophobicContact CB-CZ2 3.7Å; F442-W444 VanDerWaalsContact CB-NE1 3.34Å; F442-W444 HydrophobicContact CD1-CH2 4.14Å; F442-W444 AromaticContact CD1-CZ2 3.73Å; F442-W444 HydrophobicContact CD1-CZ2 3.73Å; F442-W444 AromaticContact CD2-CE2 3.88Å; F442-W444 AromaticContact CD2-CZ2 3.72Å; F442-W444 HydrophobicContact CD2-CZ2 3.72Å; F442-W444 AromaticContact CD2-NE1 3.7Å; F442-W444 HydrophobicContact CE1-CZ2 4.28Å; F442-W444 HydrophobicContact CE2-CZ2 4.33Å; F442-W444 HydrophobicContact CG-CD2 4.48Å; F442-W444 AromaticContact CG-CE2 3.59Å; F442-W444 HydrophobicContact CG-CH2 4.26Å; F442-W444 AromaticContact CG-CZ2 3.44Å; F442-W444 HydrophobicContact CG-CZ2 3.44Å; F442-W444 VanDerWaalsContact CG-CZ2 3.44Å; F442-W444 AromaticContact CG-NE1 3.74Å; F442-W444 PolarHBondContact O-N 3.38Å; F442-H445 WeakPolarHBondContact CB-ND1 3.38Å; F442-H445 AromaticContact CD2-CE1 3.39Å; F442-H445 WeakPolarHBondContact CD2-CE1 3.1Å; F442-H445 AromaticContact CG-CE1 3.89Å; F442-H445 PolarHBondContact N-CE1 3.39Å; F442-H445 PolarHBondContact N-ND1 3.45Å; F442-H445 VanDerWaalsContact N-ND1 3.19Å; F442-H445 PolarHBondContact O-N 2.99Å; F442-H445 PolarHBondContact O-ND1 3.04Å; F442-L658 HydrophobicContact CZ-CD1 4.36Å; F442-A666 CarbonylContact C-O 3.54Å; F442-A666 WeakPolarHBondContact CA-O 3.46Å; F442-A666 WeakPolarHBondContact CB-O 3.4Å; F442-A666 HydrophobicContact CD1-CB 4Å; F442-L667 HydrophobicContact CD1-CD2 3.7Å; F442-L667 HydrophobicContact CE1-CD2 3.47Å; F442-L667 VanDerWaalsContact CE1-CD2 3.47Å; F442-L667 HydrophobicContact CE1-CG 4.45Å; F442-L667 HydrophobicContact CZ-CD2 4.41Å; F442-T668 VanDerWaalsContact C-CG2 3.49Å
443	V	60	Low	67.8	Low	62 Å²	62	38.9 Å²	38.9	38%	0.376	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.3	-177.6	-169.2	0	0	0	0	112.5	A666 L667 T668	V443-A666 PolarHBondContact N-O 3.39Å; V443-L667 VanDerWaalsContact CG2-O 3.31Å; V443-L667 WeakPolarHBondContact CG2-O 2.99Å; V443-T668 HydrophobicContact CG2-CG2 4.24Å
444	W	55	Low	65.9	Low	168 Å²	168	43.8 Å²	43.8	64%	0.636	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.5	177.6	56.7	62.6	0	0	0	114.7	F442 A666	F442-W444 HydrophobicContact CB-CD2 3.8Å; F442-W444 HydrophobicContact CB-CG 4.09Å; F442-W444 HydrophobicContact CB-CH2 4.48Å; F442-W444 HydrophobicContact CB-CZ2 3.7Å; F442-W444 VanDerWaalsContact CB-NE1 3.34Å; F442-W444 HydrophobicContact CD1-CH2 4.14Å; F442-W444 AromaticContact CD1-CZ2 3.73Å; F442-W444 HydrophobicContact CD1-CZ2 3.73Å; F442-W444 AromaticContact CD2-CE2 3.88Å; F442-W444 AromaticContact CD2-CZ2 3.72Å; F442-W444 HydrophobicContact CD2-CZ2 3.72Å; F442-W444 AromaticContact CD2-NE1 3.7Å; F442-W444 HydrophobicContact CE1-CZ2 4.28Å; F442-W444 HydrophobicContact CE2-CZ2 4.33Å; F442-W444 HydrophobicContact CG-CD2 4.48Å; F442-W444 AromaticContact CG-CE2 3.59Å; F442-W444 HydrophobicContact CG-CH2 4.26Å; F442-W444 AromaticContact CG-CZ2 3.44Å; F442-W444 HydrophobicContact CG-CZ2 3.44Å; F442-W444 VanDerWaalsContact CG-CZ2 3.44Å; F442-W444 AromaticContact CG-NE1 3.74Å; F442-W444 PolarHBondContact O-N 3.38Å; W444-A666 HydrophobicContact CE3-CB 4.11Å; W444-A666 HydrophobicContact CH2-CB 3.35Å; W444-A666 HydrophobicContact CZ2-CB 4.3Å; W444-A666 HydrophobicContact CZ3-CB 3.23Å
445	H	55.7	Low	64.5	Low	23 Å²	23	44.2 Å²	44.2	11%	0.106	22%	0.218	C	C	.	.	S	Bend	trans	-62.8	156.8	169.6	-67.2	97.3	0	0	0	110.2	K440 P441 F442 I447	K440-H445 HydrophobicContact CB-CB 3.9Å; K440-H445 HydrophobicContact CD-CB 4.26Å; K440-H445 HydrophobicContact CG-CB 4Å; P441-H445 VanDerWaalsContact CD-CE1 3.49Å; P441-H445 WeakPolarHBondContact CD-CE1 3.28Å; F442-H445 WeakPolarHBondContact CB-ND1 3.38Å; F442-H445 AromaticContact CD2-CE1 3.39Å; F442-H445 WeakPolarHBondContact CD2-CE1 3.1Å; F442-H445 AromaticContact CG-CE1 3.89Å; F442-H445 PolarHBondContact N-CE1 3.39Å; F442-H445 PolarHBondContact N-ND1 3.45Å; F442-H445 VanDerWaalsContact N-ND1 3.19Å; F442-H445 PolarHBondContact O-N 2.99Å; F442-H445 PolarHBondContact O-ND1 3.04Å; H445-I447 HydrophobicContact CB-CG1 4.41Å; H445-I447 WeakPolarHBondContact O-CG1 3.5Å; H445-I447 PolarHBondContact O-N 3.16Å
446	S	53.3	Low	63.5	Low	103 Å²	103	45.4 Å²	45.4	72%	0.72	23%	0.226	S	C	*	.			trans	-61.7	88.3	172.1	-59.1	0	0	0	0	109.9
447	I	55.1	Low	63	Low	14 Å²	14	44.5 Å²	44.5	7%	0.072	22%	0.221	C	C	.	.			trans	-102.1	127.7	178	-68.3	165.7	0	0	0	106.4	K440 H445 Q451 K452 R455 T668	K440-I447 HydrophobicContact CG-CG1 4.39Å; H445-I447 HydrophobicContact CB-CG1 4.41Å; H445-I447 WeakPolarHBondContact O-CG1 3.5Å; H445-I447 PolarHBondContact O-N 3.16Å; I447-Q451 HydrophobicContact CG2-CB 4.32Å; I447-K452 HydrophobicContact CB-CG 4.3Å; I447-K452 HydrophobicContact CG2-CG 3.59Å; I447-R455 VanDerWaalsContact CD1-CZ 3.46Å; I447-R455 VanDerWaalsContact CG1-NH1 3.35Å; I447-T668 HydrophobicContact CD1-CG2 4.09Å
448	C	54	Low	62.9	Low	12 Å²	12	46.2 Å²	46.2	8%	0.081	23%	0.23	C	C	.	.			trans	-48.2	126.8	172.9	169.3	0	0	0	0	109	S196 L450 Q451 K452	S196-C448 PolarHBondContact O-SG 3.1Å; C448-L450 PolarHBondContact O-N 2.97Å; C448-L450 VanDerWaalsContact O-N 3.15Å; C448-L450 PolarHBondContact SG-N 2.97Å; C448-Q451 HydrophobicContact CB-CB 4.08Å; C448-Q451 HydrophobicContact CB-CG 3.96Å; C448-Q451 WeakPolarHBondContact O-CA 3.35Å; C448-Q451 PolarHBondContact O-N 3.13Å; C448-K452 PolarHBondContact O-N 2.8Å
449	P	54.7	Low	63.2	Low	33 Å²	33	50 Å²	50	21%	0.214	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-50.5	-40.9	-179.7	-29	35.2	0	0	0	112.4	Y167 Q451 K452	Y167-P449 HydrophobicContact CE1-CB 4.11Å; Y167-P449 PolarHBondContact OH-O 3.08Å; P449-Q451 VanDerWaalsContact C-N 3.27Å; P449-Q451 PolarHBondContact O-N 3.27Å; P449-K452 PolarHBondContact O-N 3.19Å
450	L	52.6	Low	63.6	Low	32 Å²	32	49.9 Å²	49.9	17%	0.168	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.2	-30.1	176.7	-63.9	172.9	0	0	0	113.4	T162 Y197 D200 C448	T162-L450 HydrophobicContact CG2-CD2 3.93Å; Y197-L450 HydrophobicContact CD1-CD1 3.63Å; Y197-L450 HydrophobicContact CD1-CD2 4.43Å; Y197-L450 HydrophobicContact CD1-CG 3.93Å; Y197-L450 HydrophobicContact CE1-CD1 4.18Å; Y197-L450 HydrophobicContact CE1-CD2 4.2Å; Y197-L450 HydrophobicContact CE1-CG 3.96Å; D200-L450 HydrophobicContact CB-CD1 3.78Å; C448-L450 PolarHBondContact O-N 2.97Å; C448-L450 VanDerWaalsContact O-N 3.15Å; C448-L450 PolarHBondContact SG-N 2.97Å
451	Q	58.7	Low	64.6	Low	22 Å²	22	47.5 Å²	47.5	10%	0.103	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-86.5	-10.6	-178.4	-69.8	-178.6	-4.6	0	0	114	I447 C448 P449 L453 R454 R455	I447-Q451 HydrophobicContact CG2-CB 4.32Å; C448-Q451 HydrophobicContact CB-CB 4.08Å; C448-Q451 HydrophobicContact CB-CG 3.96Å; C448-Q451 WeakPolarHBondContact O-CA 3.35Å; C448-Q451 PolarHBondContact O-N 3.13Å; P449-Q451 VanDerWaalsContact C-N 3.27Å; P449-Q451 PolarHBondContact O-N 3.27Å; Q451-L453 PolarHBondContact O-N 3.38Å; Q451-R454 PolarHBondContact O-N 3.1Å; Q451-R455 WeakPolarHBondContact O-CG 3.3Å
452	K	53.3	Low	65.8	Low	102 Å²	102	48.5 Å²	48.5	44%	0.443	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-57.5	-22.4	178.3	-74.7	-169.4	175.5	-174.6	0	112.9	I447 C448 P449	I447-K452 HydrophobicContact CB-CG 4.3Å; I447-K452 HydrophobicContact CG2-CG 3.59Å; C448-K452 PolarHBondContact O-N 2.8Å; P449-K452 PolarHBondContact O-N 3.19Å
453	L	45.6	Very low	66.9	Low	102 Å²	102	47.7 Å²	47.7	53%	0.534	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-95.1	-7.2	178.4	-68.4	155.5	0	0	0	114.3	Y167 Q451	Y167-L453 HydrophobicContact CE2-CD1 4.33Å; Q451-L453 PolarHBondContact O-N 3.38Å
454	R	56.3	Low	68.4	Low	103 Å²	103	44.8 Å²	44.8	39%	0.389	22%	0.22	S	C	.	.			trans	-118.8	27.6	-172.7	-64.8	-170.6	178.2	167.7	3	114.6	Q451 T456 K459	Q451-R454 PolarHBondContact O-N 3.1Å; R454-T456 PolarHBondContact O-N 2.87Å; R454-K459 HydrophobicContact CB-CB 4.43Å; R454-K459 HydrophobicContact CB-CD 4.24Å; R454-K459 HydrophobicContact CG-CD 4.4Å
455	R	66.6	Low	70.3	Confident	8 Å²	8	37 Å²	37	3%	0.03	19%	0.19	C	C	.	.			trans	-89	15.7	-168.3	-58	-158.8	74.4	75.5	-1	116.1	I447 Q451 P669 E670	I447-R455 VanDerWaalsContact CD1-CZ 3.46Å; I447-R455 VanDerWaalsContact CG1-NH1 3.35Å; Q451-R455 WeakPolarHBondContact O-CG 3.3Å; R455-P669 HydrophobicContact CB-CB 4.46Å; R455-P669 HydrophobicContact CB-CG 4.12Å; R455-E670 IonicContact CZ-OE1 2.62Å; R455-E670 IonicContact NE-OE1 2.89Å; R455-E670 IonicContact NH2-OE1 3.08Å; R455-E670 PolarHBondContact NH2-OE1 2.94Å; R455-E670 IonicContact NH2-OE2 3.81Å; R455-E670 WeakPolarHBondContact O-CB 3.22Å; R455-E670 PolarHBondContact O-N 2.73Å
456	T	76.9	Confident	72	Confident	26 Å²	26	39.3 Å²	39.3	16%	0.16	20%	0.2	C	C	.	.	S	Bend	trans	-85	149.1	173	58.4	0	0	0	0	109.1	R454 D458 K459 R460 P669	R454-T456 PolarHBondContact O-N 2.87Å; T456-D458 WeakPolarHBondContact CB-OD1 3.39Å; T456-D458 PolarHBondContact O-N 3.25Å; T456-D458 PolarHBondContact OG1-OD1 3.41Å; T456-D458 PolarHBondContact OG1-OD2 3.19Å; T456-K459 PolarHBondContact O-N 2.93Å; T456-K459 WeakPolarHBondContact OG1-CG 3.19Å; T456-R460 WeakPolarHBondContact O-CG 3.47Å; T456-R460 PolarHBondContact O-N 3.48Å; T456-P669 HydrophobicContact CG2-CB 4.1Å
457	L	82	Confident	74	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-35.8	-176.2	-76.8	169	0	0	0	112.7	L439 R460 A461 I488 L489 E670 Q673 L674 Y680	L439-L457 HydrophobicContact CD1-CD2 4.42Å; L439-L457 HydrophobicContact CD2-CD2 4.02Å; L457-R460 PolarHBondContact O-N 3.38Å; L457-A461 VanDerWaalsContact O-CB 3.26Å; L457-A461 WeakPolarHBondContact O-CB 3.45Å; L457-A461 PolarHBondContact O-N 3.2Å; L457-I488 HydrophobicContact CD1-CG2 4.08Å; L457-L489 HydrophobicContact CD2-CD1 4.19Å; L457-E670 HydrophobicContact CD2-CB 4.16Å; L457-E670 HydrophobicContact CG-CB 4.13Å; L457-Q673 HydrophobicContact CD1-CB 3.89Å; L457-L674 HydrophobicContact CD1-CD2 4.35Å; L457-Y680 HydrophobicContact CD1-CE1 3.81Å
458	D	84.2	Confident	75.9	Confident	35 Å²	35	34.8 Å²	34.8	19%	0.187	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-48.6	175.8	58	-61	0	0	0	112	T456 R460 A461 V462 L496	T456-D458 WeakPolarHBondContact CB-OD1 3.39Å; T456-D458 PolarHBondContact O-N 3.25Å; T456-D458 PolarHBondContact OG1-OD1 3.41Å; T456-D458 PolarHBondContact OG1-OD2 3.19Å; D458-R460 VanDerWaalsContact C-N 3.33Å; D458-R460 PolarHBondContact O-N 2.82Å; D458-A461 WeakPolarHBondContact O-CB 3.35Å; D458-A461 PolarHBondContact O-N 3.46Å; D458-V462 WeakPolarHBondContact O-CG2 3.42Å; D458-V462 PolarHBondContact O-N 3.39Å; D458-L496 HydrophobicContact CB-CD1 4.36Å
459	K	84	Confident	77.8	Confident	95 Å²	95	37.5 Å²	37.5	41%	0.413	18%	0.177	S	C	.	.	H	α-helix	trans	-63.7	-40.9	177.1	-71.1	-179.2	-177.5	176.9	0	111.5	R454 T456 V462 D463	R454-K459 HydrophobicContact CB-CB 4.43Å; R454-K459 HydrophobicContact CB-CD 4.24Å; R454-K459 HydrophobicContact CG-CD 4.4Å; T456-K459 PolarHBondContact O-N 2.93Å; T456-K459 WeakPolarHBondContact OG1-CG 3.19Å; K459-V462 PolarHBondContact O-N 3.09Å; K459-D463 PolarHBondContact O-N 3.11Å
460	R	86.4	Confident	79.6	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-39.5	174.7	-65.7	-59.6	-64	153	1.9	111.7	D368 T437 L439 T456 L457 D458 D463 I464 L489	D368-R460 IonicContact OD2-NH2 3.98Å; T437-R460 PolarHBondContact O-NH2 3.27Å; L439-R460 HydrophobicContact CD2-CG 4.44Å; T456-R460 WeakPolarHBondContact O-CG 3.47Å; T456-R460 PolarHBondContact O-N 3.48Å; L457-R460 PolarHBondContact O-N 3.38Å; D458-R460 VanDerWaalsContact C-N 3.33Å; D458-R460 PolarHBondContact O-N 2.82Å; R460-D463 IonicContact NH1-OD2 3.94Å; R460-D463 PolarHBondContact O-N 3.23Å; R460-I464 WeakPolarHBondContact O-CG1 3.4Å; R460-I464 PolarHBondContact O-N 3.16Å; R460-L489 HydrophobicContact CB-CD1 4.18Å
461	A	91.3	Very high	81.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-47.3	174.4	0	0	0	0	0	110.8	L457 D458 I464 M465 L489 E492 M493 L496	L457-A461 VanDerWaalsContact O-CB 3.26Å; L457-A461 WeakPolarHBondContact O-CB 3.45Å; L457-A461 PolarHBondContact O-N 3.2Å; D458-A461 WeakPolarHBondContact O-CB 3.35Å; D458-A461 PolarHBondContact O-N 3.46Å; A461-I464 PolarHBondContact O-N 3.15Å; A461-M465 WeakPolarHBondContact O-CB 3.49Å; A461-M465 VanDerWaalsContact O-CG 3.25Å; A461-M465 WeakPolarHBondContact O-CG 3.49Å; A461-M465 PolarHBondContact O-N 3.48Å; A461-L489 HydrophobicContact CB-CD1 4.02Å; A461-E492 HydrophobicContact CB-CB 4.29Å; A461-E492 HydrophobicContact CB-CG 3.93Å; A461-M493 HydrophobicContact CB-CB 4.48Å; A461-M493 HydrophobicContact CB-CG 3.56Å; A461-L496 HydrophobicContact CB-CD1 3.89Å
462	V	90.4	Very high	83.1	Confident	28 Å²	28	39.5 Å²	39.5	17%	0.17	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-47	175.5	173.5	0	0	0	0	112	D458 K459 I464 M465 K466 L496	D458-V462 WeakPolarHBondContact O-CG2 3.42Å; D458-V462 PolarHBondContact O-N 3.39Å; K459-V462 PolarHBondContact O-N 3.09Å; V462-I464 VanDerWaalsContact C-N 3.32Å; V462-I464 PolarHBondContact O-N 3.14Å; V462-M465 HydrophobicContact CG2-CE 4.09Å; V462-M465 PolarHBondContact O-N 3.06Å; V462-K466 HydrophobicContact CG1-CD 4.36Å; V462-K466 WeakPolarHBondContact O-CG 3.36Å; V462-K466 PolarHBondContact O-N 3.48Å; V462-L496 HydrophobicContact CG2-CD1 3.95Å
463	D	88	Confident	85.1	Confident	31 Å²	31	34.6 Å²	34.6	17%	0.166	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-42.6	178.6	-75.8	-16.5	0	0	0	111.6	K459 R460 Q467	K459-D463 PolarHBondContact O-N 3.11Å; R460-D463 IonicContact NH1-OD2 3.94Å; R460-D463 PolarHBondContact O-N 3.23Å; D463-Q467 WeakPolarHBondContact O-CG 3.47Å; D463-Q467 PolarHBondContact O-N 3.26Å
464	I	92.7	Very high	87.3	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-72.6	-42.3	178.6	-69	170.1	0	0	0	111	V435 T437 R460 A461 V462 K466 Q467 L468 L489 M493	V435-I464 HydrophobicContact CG1-CD1 4.15Å; V435-I464 HydrophobicContact CG1-CG1 4.43Å; V435-I464 HydrophobicContact CG1-CG2 3.7Å; T437-I464 HydrophobicContact CG2-CD1 4.4Å; R460-I464 WeakPolarHBondContact O-CG1 3.4Å; R460-I464 PolarHBondContact O-N 3.16Å; A461-I464 PolarHBondContact O-N 3.15Å; V462-I464 VanDerWaalsContact C-N 3.32Å; V462-I464 PolarHBondContact O-N 3.14Å; I464-K466 VanDerWaalsContact C-N 3.28Å; I464-K466 PolarHBondContact O-N 3.14Å; I464-Q467 WeakPolarHBondContact O-CB 3.49Å; I464-Q467 PolarHBondContact O-N 3.35Å; I464-L468 HydrophobicContact CG2-CD1 3.79Å; I464-L468 HydrophobicContact CG2-CG 4.01Å; I464-L468 WeakPolarHBondContact O-CG 3.39Å; I464-L468 PolarHBondContact O-N 3.39Å; I464-L489 HydrophobicContact CD1-CD2 3.49Å; I464-L489 VanDerWaalsContact CD1-CD2 3.49Å; I464-L489 HydrophobicContact CD1-CG 4.44Å; I464-M493 HydrophobicContact CB-SD 4.06Å; I464-M493 HydrophobicContact CG2-CE 4.48Å; I464-M493 HydrophobicContact CG2-SD 3.62Å
465	M	94.4	Very high	88.9	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.015	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-39.4	176.5	-75.8	-170.4	-60.6	0	0	112.1	A461 V462 Q467 L468 K469 M493 L496 A497 Y632 L635	A461-M465 WeakPolarHBondContact O-CB 3.49Å; A461-M465 VanDerWaalsContact O-CG 3.25Å; A461-M465 WeakPolarHBondContact O-CG 3.49Å; A461-M465 PolarHBondContact O-N 3.48Å; V462-M465 HydrophobicContact CG2-CE 4.09Å; V462-M465 PolarHBondContact O-N 3.06Å; M465-Q467 VanDerWaalsContact C-N 3.34Å; M465-Q467 PolarHBondContact O-N 3.42Å; M465-L468 PolarHBondContact O-N 2.93Å; M465-K469 WeakPolarHBondContact O-CB 3.44Å; M465-K469 PolarHBondContact O-N 3.02Å; M465-M493 HydrophobicContact CG-CB 3.91Å; M465-M493 HydrophobicContact CG-CG 3.74Å; M465-M493 HydrophobicContact CG-SD 3.95Å; M465-M493 HydrophobicContact SD-CB 3.93Å; M465-M493 HydrophobicContact SD-CG 4.28Å; M465-L496 HydrophobicContact CE-CB 3.71Å; M465-L496 HydrophobicContact CE-CD1 4.09Å; M465-A497 HydrophobicContact SD-CB 4.13Å; M465-Y632 HydrophobicContact CB-CD1 3.95Å; M465-Y632 HydrophobicContact CB-CE1 3.95Å; M465-Y632 HydrophobicContact SD-CG 4.42Å; M465-L635 HydrophobicContact CB-CD1 4.11Å; M465-L635 HydrophobicContact CG-CD1 3.83Å; M465-L635 HydrophobicContact SD-CD1 4.15Å
466	K	92.6	Very high	90.1	Very high	72 Å²	72	30.1 Å²	30.1	31%	0.313	15%	0.148	S	C	.	.	H	α-helix	trans	-57.3	-46.5	172.5	-76.7	177.7	-174.3	-158	0	111.8	V462 I464 K470 D628 Y632	V462-K466 HydrophobicContact CG1-CD 4.36Å; V462-K466 WeakPolarHBondContact O-CG 3.36Å; V462-K466 PolarHBondContact O-N 3.48Å; I464-K466 VanDerWaalsContact C-N 3.28Å; I464-K466 PolarHBondContact O-N 3.14Å; K466-K470 PolarHBondContact O-N 2.98Å; K466-D628 VanDerWaalsContact CE-OD2 3.26Å; K466-D628 WeakPolarHBondContact CE-OD2 3.3Å; K466-D628 IonicContact NZ-OD2 3.74Å; K466-D628 PolarHBondContact NZ-OD2 3.48Å; K466-Y632 WeakPolarHBondContact CG-OH 3.46Å
467	Q	94.4	Very high	91	Very high	23 Å²	23	30.9 Å²	30.9	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-41.9	179.2	-67	-174.8	62.5	0	0	112.3	C366 D368 V369 D463 I464 M465 K470 A471	C366-Q467 HydrophobicContact CB-CB 3.67Å; C366-Q467 HydrophobicContact CB-CG 3.43Å; C366-Q467 VanDerWaalsContact CB-CG 3.43Å; D368-Q467 PolarHBondContact OD2-NE2 2.94Å; V369-Q467 HydrophobicContact CG2-CB 3.69Å; D463-Q467 WeakPolarHBondContact O-CG 3.47Å; D463-Q467 PolarHBondContact O-N 3.26Å; I464-Q467 WeakPolarHBondContact O-CB 3.49Å; I464-Q467 PolarHBondContact O-N 3.35Å; M465-Q467 VanDerWaalsContact C-N 3.34Å; M465-Q467 PolarHBondContact O-N 3.42Å; Q467-K470 PolarHBondContact O-N 2.76Å; Q467-A471 PolarHBondContact O-N 3.39Å
468	L	95.5	Very high	91.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-41.6	176.2	-72.4	177.1	0	0	0	111.7	V369 V435 I464 M465 K470 A471 E472 V473 W480 M493	V369-L468 HydrophobicContact CG1-CD2 4.4Å; V369-L468 HydrophobicContact CG2-CD2 4.13Å; V435-L468 HydrophobicContact CG2-CD2 3.83Å; I464-L468 HydrophobicContact CG2-CD1 3.79Å; I464-L468 HydrophobicContact CG2-CG 4.01Å; I464-L468 WeakPolarHBondContact O-CG 3.39Å; I464-L468 PolarHBondContact O-N 3.39Å; M465-L468 PolarHBondContact O-N 2.93Å; L468-K470 VanDerWaalsContact C-N 3.34Å; L468-K470 PolarHBondContact O-N 3.03Å; L468-A471 CarbonylContact O-C 3.41Å; L468-A471 WeakPolarHBondContact O-CA 3.16Å; L468-A471 PolarHBondContact O-N 3.39Å; L468-A471 VanDerWaalsContact O-N 3.12Å; L468-E472 PolarHBondContact O-N 3.4Å; L468-V473 HydrophobicContact CB-CB 3.98Å; L468-V473 HydrophobicContact CB-CG1 4.41Å; L468-V473 HydrophobicContact CB-CG2 4.28Å; L468-V473 HydrophobicContact CD2-CB 4.41Å; L468-V473 HydrophobicContact CD2-CG2 3.94Å; L468-V473 VanDerWaalsContact O-CB 3.28Å; L468-V473 WeakPolarHBondContact O-CB 3.42Å; L468-V473 PolarHBondContact O-N 3.35Å; L468-W480 HydrophobicContact CD1-CH2 3.69Å; L468-W480 HydrophobicContact CD1-CZ3 4.17Å; L468-M493 HydrophobicContact CD1-SD 4.22Å
469	K	93.4	Very high	92.4	Very high	68 Å²	68	29.1 Å²	29.1	30%	0.296	15%	0.145	S	C	.	.	H	α-helix	trans	-62.4	-40.5	176.1	-175.3	63.6	175.5	-178.7	0	112	M465 A471 E472 V630 Y632	M465-K469 WeakPolarHBondContact O-CB 3.44Å; M465-K469 PolarHBondContact O-N 3.02Å; K469-A471 VanDerWaalsContact C-N 3.28Å; K469-A471 PolarHBondContact O-N 3.1Å; K469-E472 WeakPolarHBondContact O-CA 3.49Å; K469-E472 PolarHBondContact O-N 3.17Å; K469-V630 HydrophobicContact CG-CG1 4.04Å; K469-Y632 HydrophobicContact CB-CD1 4.4Å; K469-Y632 HydrophobicContact CB-CE1 3.97Å; K469-Y632 HydrophobicContact CG-CE1 4.39Å
470	K	92.3	Very high	93.1	Very high	103 Å²	103	24.7 Å²	24.7	45%	0.448	13%	0.125	S	C	.	.	H	α-helix	trans	-64.7	-31.2	173.1	-76.5	-172.2	171.9	-168.5	0	113.1	I364 C366 K466 Q467 L468 E472	I364-K470 PolarHBondContact N-O 2.96Å; I364-K470 CarbonylContact O-C 3.57Å; C366-K470 VanDerWaalsContact SG-CD 3.6Å; K466-K470 PolarHBondContact O-N 2.98Å; Q467-K470 PolarHBondContact O-N 2.76Å; L468-K470 VanDerWaalsContact C-N 3.34Å; L468-K470 PolarHBondContact O-N 3.03Å; K470-E472 PolarHBondContact O-N 3.36Å
471	A	93.2	Very high	93.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	10.9	170.1	0	0	0	0	0	112.9	I364 Y365 V369 R431 Q467 L468 K469 V473	I364-A471 WeakPolarHBondContact O-CA 3.43Å; I364-A471 PolarHBondContact O-N 3.39Å; Y365-A471 HydrophobicContact CD1-CB 3.96Å; Y365-A471 HydrophobicContact CE1-CB 4.11Å; V369-A471 HydrophobicContact CG1-CB 4.08Å; R431-A471 VanDerWaalsContact CZ-O 3.3Å; R431-A471 PolarHBondContact NH1-O 3.04Å; R431-A471 PolarHBondContact NH2-O 3.05Å; Q467-A471 PolarHBondContact O-N 3.39Å; L468-A471 CarbonylContact O-C 3.41Å; L468-A471 WeakPolarHBondContact O-CA 3.16Å; L468-A471 PolarHBondContact O-N 3.39Å; L468-A471 VanDerWaalsContact O-N 3.12Å; K469-A471 VanDerWaalsContact C-N 3.28Å; K469-A471 PolarHBondContact O-N 3.1Å; A471-V473 HydrophobicContact CB-CG2 4.38Å; A471-V473 PolarHBondContact O-N 2.78Å
472	E	92.4	Very high	94	Very high	26 Å²	26	24.6 Å²	24.6	12%	0.121	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	25.4	180	-51.6	-166.6	128.7	0	0	115.1	S361 Y362 P363 L468 K469 K470 G474 C475	S361-E472 VanDerWaalsContact CA-OE1 3.29Å; S361-E472 WeakPolarHBondContact CA-OE1 3.33Å; S361-E472 WeakPolarHBondContact CB-OE1 3.41Å; S361-E472 PolarHBondContact OG-OE1 3.14Å; Y362-E472 PolarHBondContact N-OE1 3.12Å; P363-E472 HydrophobicContact CB-CG 4.13Å; P363-E472 WeakPolarHBondContact CD-OE2 3.38Å; L468-E472 PolarHBondContact O-N 3.4Å; K469-E472 WeakPolarHBondContact O-CA 3.49Å; K469-E472 PolarHBondContact O-N 3.17Å; K470-E472 PolarHBondContact O-N 3.36Å; E472-G474 PolarHBondContact O-N 3.06Å; E472-C475 PolarHBondContact O-N 3.21Å
473	V	93.8	Very high	94.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	135.5	170.4	177.6	0	0	0	0	108.7	I387 I433 L468 A471 I478 L635	I387-V473 HydrophobicContact CD1-CB 4.4Å; I387-V473 HydrophobicContact CD1-CG1 3.33Å; I387-V473 HydrophobicContact CD1-CG2 4.18Å; I433-V473 HydrophobicContact CD1-CG2 3.62Å; L468-V473 HydrophobicContact CB-CB 3.98Å; L468-V473 HydrophobicContact CB-CG1 4.41Å; L468-V473 HydrophobicContact CB-CG2 4.28Å; L468-V473 HydrophobicContact CD2-CB 4.41Å; L468-V473 HydrophobicContact CD2-CG2 3.94Å; L468-V473 VanDerWaalsContact O-CB 3.28Å; L468-V473 WeakPolarHBondContact O-CB 3.42Å; L468-V473 PolarHBondContact O-N 3.35Å; A471-V473 HydrophobicContact CB-CG2 4.38Å; A471-V473 PolarHBondContact O-N 2.78Å; V473-I478 HydrophobicContact CG1-CD1 3.77Å; V473-I478 HydrophobicContact CG1-CG1 4.34Å; V473-L635 HydrophobicContact CB-CD2 4.18Å; V473-L635 HydrophobicContact CG1-CD2 3.6Å; V473-L635 WeakPolarHBondContact O-CD2 3.34Å
474	G	91.9	Very high	94.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	4.1	-172.9	0	0	0	0	0	113.9	E472 T634 N638	E472-G474 PolarHBondContact O-N 3.06Å; G474-T634 VanDerWaalsContact O-CB 3.24Å; G474-T634 WeakPolarHBondContact O-CB 3.43Å; G474-T634 PolarHBondContact O-OG1 3.14Å; G474-N638 PolarHBondContact O-ND2 2.91Å
475	C	90	Very high	94.4	Very high	84 Å²	84	23.2 Å²	23.2	57%	0.568	12%	0.117	S	C	*	.	S	Bend	trans	-85.4	-17.9	165.5	-61.9	0	0	0	0	112.5	E472	E472-C475 PolarHBondContact O-N 3.21Å
476	R	92.3	Very high	94.4	Very high	33 Å²	33	23.1 Å²	23.1	13%	0.125	12%	0.117	C	C	.	.	S	Bend	trans	-133.4	164	179.4	60.6	179.3	76	78.7	-0.1	111.1	Y382 D385 I478	Y382-R476 WeakPolarHBondContact O-CD 3.32Å; Y382-R476 PolarHBondContact O-NE 3.38Å; D385-R476 HydrophobicContact CB-CG 4.37Å; D385-R476 VanDerWaalsContact OD1-CD 3.22Å; D385-R476 WeakPolarHBondContact OD1-CD 3.07Å; D385-R476 IonicContact OD1-CZ 2.78Å; D385-R476 IonicContact OD1-NE 2.89Å; D385-R476 IonicContact OD1-NH1 3.42Å; D385-R476 PolarHBondContact OD1-NH1 3.43Å; D385-R476 IonicContact OD2-NH1 3.16Å; R476-I478 WeakPolarHBondContact O-CG1 3.19Å
477	P	96.1	Very high	94.6	Very high	42 Å²	42	19.7 Å²	19.7	27%	0.273	10%	0.102	S	C	.	.			trans	-51	140.2	175.3	-28.7	36	0	0	0	112.8	D383 F384 D385 N638 Q640 L764	D383-P477 WeakPolarHBondContact O-CD 3.44Å; F384-P477 CarbonylContact C-O 3.6Å; F384-P477 WeakPolarHBondContact CA-O 3.27Å; F384-P477 HydrophobicContact CB-CB 4.03Å; F384-P477 WeakPolarHBondContact CB-O 3.45Å; D385-P477 PolarHBondContact N-O 3.2Å; P477-N638 CarbonylContact C-O 3.36Å; P477-N638 WeakPolarHBondContact CA-O 3.33Å; P477-Q640 HydrophobicContact CB-CG 3.87Å; P477-L764 HydrophobicContact CB-CD2 4.23Å
478	I	97.4	Very high	94.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.9	-174.7	-50.1	171.5	0	0	0	110.8	I387 V473 R476 W480 L635 N638 Q640 A641	I387-I478 HydrophobicContact CD1-CG2 3.52Å; I387-I478 HydrophobicContact CG1-CG2 4.01Å; V473-I478 HydrophobicContact CG1-CD1 3.77Å; V473-I478 HydrophobicContact CG1-CG1 4.34Å; R476-I478 WeakPolarHBondContact O-CG1 3.19Å; I478-W480 HydrophobicContact CD1-CZ2 4.46Å; I478-W480 HydrophobicContact CG2-CD2 4.08Å; I478-W480 HydrophobicContact CG2-CG 4.27Å; I478-W480 HydrophobicContact CG2-CZ2 4.01Å; I478-L635 HydrophobicContact CD1-CD2 3.98Å; I478-N638 PolarHBondContact N-O 3.41Å; I478-Q640 PolarHBondContact O-N 2.82Å; I478-A641 PolarHBondContact O-N 2.86Å
479	I	98.2	Very high	94.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.2	168	-56.4	171	0	0	0	108	F384 D385 I386 I387 A641 I759 L762 L764	F384-I479 HydrophobicContact CD2-CD1 3.83Å; F384-I479 HydrophobicContact CE2-CD1 3.83Å; D385-I479 PolarHBondContact O-N 3.4Å; I386-I479 CarbonylContact C-O 3.53Å; I386-I479 WeakPolarHBondContact CA-O 3.2Å; I386-I479 HydrophobicContact CG1-CB 4.46Å; I386-I479 HydrophobicContact CG1-CD1 4.39Å; I387-I479 PolarHBondContact N-O 3.17Å; I479-A641 WeakPolarHBondContact CA-O 3.39Å; I479-A641 HydrophobicContact CG1-CB 4.41Å; I479-A641 HydrophobicContact CG2-CB 4.21Å; I479-I759 HydrophobicContact CD1-CG1 4.34Å; I479-I759 HydrophobicContact CD1-CG2 3.98Å; I479-I759 HydrophobicContact CG2-CG1 4.44Å; I479-L762 HydrophobicContact CD1-CD1 3.41Å; I479-L762 VanDerWaalsContact CD1-CD1 3.41Å; I479-L762 HydrophobicContact CG1-CD1 3.79Å; I479-L764 HydrophobicContact CD1-CD2 4.43Å
480	W	98.5	Very high	94.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.008	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.4	177.2	-61.2	91.6	0	0	0	110.7	I387 V389 L468 I478 T482 V490 M493 T639 A641 V642 V643	I387-W480 HydrophobicContact CB-CD2 4.46Å; I387-W480 HydrophobicContact CB-CE3 3.81Å; I387-W480 HydrophobicContact CB-CZ3 4Å; I387-W480 HydrophobicContact CD1-CE3 4.34Å; I387-W480 HydrophobicContact CD1-CH2 3.97Å; I387-W480 HydrophobicContact CD1-CZ2 4.27Å; I387-W480 HydrophobicContact CD1-CZ3 4Å; I387-W480 HydrophobicContact CG2-CE3 3.84Å; I387-W480 HydrophobicContact CG2-CZ3 3.62Å; V389-W480 HydrophobicContact CG2-CE3 3.77Å; V389-W480 HydrophobicContact CG2-CZ3 3.89Å; L468-W480 HydrophobicContact CD1-CH2 3.69Å; L468-W480 HydrophobicContact CD1-CZ3 4.17Å; I478-W480 HydrophobicContact CD1-CZ2 4.46Å; I478-W480 HydrophobicContact CG2-CD2 4.08Å; I478-W480 HydrophobicContact CG2-CG 4.27Å; I478-W480 HydrophobicContact CG2-CZ2 4.01Å; W480-T482 HydrophobicContact CB-CG2 4.2Å; W480-V490 HydrophobicContact CB-CG1 4.24Å; W480-V490 HydrophobicContact CD2-CG1 3.83Å; W480-V490 HydrophobicContact CD2-CG2 4.16Å; W480-V490 HydrophobicContact CE3-CG1 4.17Å; W480-V490 HydrophobicContact CE3-CG2 3.63Å; W480-V490 HydrophobicContact CG-CG1 3.86Å; W480-V490 HydrophobicContact CZ3-CG2 4.03Å; W480-M493 HydrophobicContact CH2-CE 3.94Å; W480-M493 HydrophobicContact CZ3-CE 3.82Å; W480-T639 PolarHBondContact NE1-OG1 2.78Å; W480-A641 PolarHBondContact N-O 2.83Å; W480-V642 HydrophobicContact CB-CB 4.42Å; W480-V642 HydrophobicContact CB-CG1 4.08Å; W480-V642 HydrophobicContact CB-CG2 4.22Å; W480-V642 HydrophobicContact CG-CG2 4.43Å; W480-V642 CarbonylContact O-C 3.38Å; W480-V642 WeakPolarHBondContact O-CA 3.31Å; W480-V643 PolarHBondContact O-N 3.39Å
481	I	98.3	Very high	94.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.7	169.5	-59.4	172.8	0	0	0	108	I386 I387 F388 V389 W400 V643 M645 I755 I759	I386-I481 HydrophobicContact CG2-CD1 3.57Å; I386-I481 HydrophobicContact CG2-CG1 4.2Å; I387-I481 PolarHBondContact O-N 3.38Å; F388-I481 CarbonylContact C-O 3.52Å; F388-I481 VanDerWaalsContact CA-O 3.27Å; F388-I481 WeakPolarHBondContact CA-O 3.39Å; F388-I481 HydrophobicContact CD1-CB 3.93Å; F388-I481 HydrophobicContact CD1-CG2 3.84Å; F388-I481 HydrophobicContact CE1-CB 3.87Å; F388-I481 HydrophobicContact CE1-CD1 3.79Å; F388-I481 HydrophobicContact CE1-CG1 4.44Å; F388-I481 HydrophobicContact CE1-CG2 3.61Å; F388-I481 HydrophobicContact CE2-CD1 3.91Å; F388-I481 HydrophobicContact CG-CB 4.4Å; F388-I481 HydrophobicContact CZ-CB 4.29Å; F388-I481 HydrophobicContact CZ-CD1 3.41Å; F388-I481 VanDerWaalsContact CZ-CD1 3.41Å; F388-I481 HydrophobicContact CZ-CG1 4.41Å; F388-I481 HydrophobicContact CZ-CG2 4.36Å; V389-I481 PolarHBondContact N-O 3Å; W400-I481 HydrophobicContact CZ3-CG2 4.49Å; I481-V643 HydrophobicContact CB-CB 4.45Å; I481-V643 HydrophobicContact CG1-CB 4.13Å; I481-V643 HydrophobicContact CG1-CG2 4.08Å; I481-V643 HydrophobicContact CG2-CB 4.39Å; I481-V643 HydrophobicContact CG2-CG1 4.49Å; I481-M645 HydrophobicContact CG2-SD 4.27Å; I481-I755 HydrophobicContact CD1-CG2 3.75Å; I481-I755 HydrophobicContact CG2-CD1 4.47Å; I481-I759 HydrophobicContact CD1-CD1 4.41Å
482	T	98	Very high	95	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.3	-166.7	69.9	0	0	0	0	111.2	V389 W480 G487 V490 V643 F644 M645	V389-T482 HydrophobicContact CB-CG2 4.21Å; V389-T482 WeakPolarHBondContact O-CA 3.25Å; W480-T482 HydrophobicContact CB-CG2 4.2Å; T482-G487 WeakPolarHBondContact OG1-CA 3.26Å; T482-V490 HydrophobicContact CG2-CB 4.11Å; T482-V490 HydrophobicContact CG2-CG2 3.59Å; T482-V643 PolarHBondContact N-O 2.89Å; T482-V643 PolarHBondContact OG1-O 3.37Å; T482-F644 VanDerWaalsContact OG1-CD1 3.26Å; T482-F644 WeakPolarHBondContact OG1-CD1 3.28Å; T482-M645 VanDerWaalsContact O-CB 3.28Å; T482-M645 WeakPolarHBondContact O-CB 3.5Å; T482-M645 WeakPolarHBondContact O-CG 3.38Å; T482-M645 PolarHBondContact O-N 2.81Å
483	H	95.8	Very high	95.1	Very high	15 Å²	15	9.8 Å²	9.8	7%	0.069	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.1	173.7	177.5	-110.1	0	0	0	110.7	V389 G391 T399 W400 A485 G486 M645 H738	V389-H483 PolarHBondContact O-N 3.08Å; G391-H483 WeakPolarHBondContact CA-O 3.41Å; G391-H483 PolarHBondContact N-O 3.19Å; T399-H483 HydrophobicContact CG2-CB 4.17Å; W400-H483 HydrophobicContact CH2-CB 3.75Å; W400-H483 HydrophobicContact CZ3-CB 4.19Å; H483-A485 PolarHBondContact O-N 2.85Å; H483-G486 WeakPolarHBondContact O-CA 3.47Å; H483-G486 PolarHBondContact O-N 3.18Å; H483-M645 WeakPolarHBondContact CA-O 3.48Å; H483-H738 PolarHBondContact CE1-O 3.13Å; H483-H738 PolarHBondContact NE2-O 3.49Å
484	S	93.2	Very high	95.2	Very high	15 Å²	15	9.8 Å²	9.8	11%	0.105	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	-131.6	172.5	-171.6	0	0	0	0	112.6	G486 G487 M645 S646 T647 H738	S484-G486 PolarHBondContact O-N 3.12Å; S484-G487 PolarHBondContact O-N 2.84Å; S484-M645 PolarHBondContact N-O 2.96Å; S484-S646 WeakPolarHBondContact CA-O 2.95Å; S484-T647 PolarHBondContact O-OG1 3.01Å; S484-H738 VanDerWaalsContact CB-NE2 3.25Å; S484-H738 WeakPolarHBondContact CB-NE2 3.49Å; S484-H738 PolarHBondContact OG-CE1 3.4Å; S484-H738 PolarHBondContact OG-NE2 2.82Å
485	A	91.5	Very high	95.4	Very high	1 Å²	1	11 Å²	11	1%	0.008	6%	0.063	C	C	.	.	H	α-helix	trans	-56.1	-19.6	178.1	0	0	0	0	0	114.5	M392 L439 H483 G487 I488 L489 L674	M392-A485 HydrophobicContact CB-CB 4.2Å; L439-A485 HydrophobicContact CD1-CB 3.93Å; H483-A485 PolarHBondContact O-N 2.85Å; A485-G487 PolarHBondContact O-N 2.88Å; A485-I488 WeakPolarHBondContact O-CB 3.36Å; A485-I488 PolarHBondContact O-N 2.95Å; A485-L489 PolarHBondContact O-N 3.44Å; A485-L489 VanDerWaalsContact O-N 3.07Å; A485-L674 HydrophobicContact CB-CD1 3.71Å; A485-L674 HydrophobicContact CB-CD2 4.38Å
486	G	94.5	Very high	95.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62	-32.2	174.8	0	0	0	0	0	112.4	N390 H483 S484 L489 V490	N390-G486 WeakPolarHBondContact O-CA 3.44Å; H483-G486 WeakPolarHBondContact O-CA 3.47Å; H483-G486 PolarHBondContact O-N 3.18Å; S484-G486 PolarHBondContact O-N 3.12Å; G486-L489 WeakPolarHBondContact O-CB 3.42Å; G486-L489 PolarHBondContact O-N 2.79Å; G486-V490 WeakPolarHBondContact O-CG2 3.38Å; G486-V490 PolarHBondContact O-N 3.11Å
487	G	95.8	Very high	95.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-67	-38.6	174.5	0	0	0	0	0	112.6	T482 S484 A485 L489 V490 K491	T482-G487 WeakPolarHBondContact OG1-CA 3.26Å; S484-G487 PolarHBondContact O-N 2.84Å; A485-G487 PolarHBondContact O-N 2.88Å; G487-L489 VanDerWaalsContact C-N 3.34Å; G487-V490 PolarHBondContact O-N 3.3Å; G487-K491 WeakPolarHBondContact O-CG 3.36Å; G487-K491 PolarHBondContact O-N 2.87Å
488	I	94.3	Very high	95.3	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-65	-41.8	174.9	-55.8	-55.1	0	0	0	110.6	L457 A485 V490 K491 E492 T647 L674 L681 L684	L457-I488 HydrophobicContact CD1-CG2 4.08Å; A485-I488 WeakPolarHBondContact O-CB 3.36Å; A485-I488 PolarHBondContact O-N 2.95Å; I488-V490 VanDerWaalsContact C-N 3.34Å; I488-V490 PolarHBondContact O-N 3.2Å; I488-K491 PolarHBondContact O-N 3.19Å; I488-E492 PolarHBondContact O-N 2.56Å; I488-T647 HydrophobicContact CD1-CG2 3.67Å; I488-T647 HydrophobicContact CG1-CG2 4.03Å; I488-L674 HydrophobicContact CB-CD2 4.27Å; I488-L674 HydrophobicContact CG1-CD2 4.04Å; I488-L674 HydrophobicContact CG2-CD2 4.17Å; I488-L681 HydrophobicContact CD1-CD2 4.31Å; I488-L681 HydrophobicContact CG1-CD2 4.45Å; I488-L681 HydrophobicContact CG2-CD2 3.6Å; I488-L684 HydrophobicContact CG2-CD2 3.91Å
489	L	94.4	Very high	94.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.9	-41	176.3	-171.8	65	0	0	0	112.1	T437 L439 L457 R460 A461 I464 A485 G486 G487 E492 M493	T437-L489 HydrophobicContact CG2-CD2 3.44Å; T437-L489 VanDerWaalsContact CG2-CD2 3.44Å; L439-L489 HydrophobicContact CD1-CD2 4.41Å; L457-L489 HydrophobicContact CD2-CD1 4.19Å; R460-L489 HydrophobicContact CB-CD1 4.18Å; A461-L489 HydrophobicContact CB-CD1 4.02Å; I464-L489 HydrophobicContact CD1-CD2 3.49Å; I464-L489 VanDerWaalsContact CD1-CD2 3.49Å; I464-L489 HydrophobicContact CD1-CG 4.44Å; A485-L489 PolarHBondContact O-N 3.44Å; A485-L489 VanDerWaalsContact O-N 3.07Å; G486-L489 WeakPolarHBondContact O-CB 3.42Å; G486-L489 PolarHBondContact O-N 2.79Å; G487-L489 VanDerWaalsContact C-N 3.34Å; L489-E492 PolarHBondContact O-N 3.45Å; L489-M493 WeakPolarHBondContact O-CG 3.28Å; L489-M493 PolarHBondContact O-N 3.24Å
490	V	97	Very high	92.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-42.9	174.6	169.5	0	0	0	0	111.8	V389 W480 T482 G486 G487 I488 E492 M493 L494	V389-V490 HydrophobicContact CB-CG2 4.12Å; V389-V490 HydrophobicContact CG1-CG2 4.18Å; V389-V490 HydrophobicContact CG2-CG2 3.78Å; W480-V490 HydrophobicContact CB-CG1 4.24Å; W480-V490 HydrophobicContact CD2-CG1 3.83Å; W480-V490 HydrophobicContact CD2-CG2 4.16Å; W480-V490 HydrophobicContact CE3-CG1 4.17Å; W480-V490 HydrophobicContact CE3-CG2 3.63Å; W480-V490 HydrophobicContact CG-CG1 3.86Å; W480-V490 HydrophobicContact CZ3-CG2 4.03Å; T482-V490 HydrophobicContact CG2-CB 4.11Å; T482-V490 HydrophobicContact CG2-CG2 3.59Å; G486-V490 WeakPolarHBondContact O-CG2 3.38Å; G486-V490 PolarHBondContact O-N 3.11Å; G487-V490 PolarHBondContact O-N 3.3Å; I488-V490 VanDerWaalsContact C-N 3.34Å; I488-V490 PolarHBondContact O-N 3.2Å; V490-E492 PolarHBondContact O-N 3.11Å; V490-M493 HydrophobicContact CB-CE 4.21Å; V490-M493 HydrophobicContact CG2-CE 3.6Å; V490-M493 PolarHBondContact O-N 3.03Å; V490-L494 HydrophobicContact CG1-CD1 3.81Å; V490-L494 HydrophobicContact CG1-CG 4.33Å; V490-L494 VanDerWaalsContact O-CG 3.28Å; V490-L494 WeakPolarHBondContact O-CG 3.27Å; V490-L494 PolarHBondContact O-N 3.41Å
491	K	96.6	Very high	90.2	Very high	1 Å²	1	17 Å²	17	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-56.4	-43.8	173.8	-66.3	-170.8	178.4	-170.3	0	111.1	G487 I488 L494 R495 F644 H649 L684 H685 F688	G487-K491 WeakPolarHBondContact O-CG 3.36Å; G487-K491 PolarHBondContact O-N 2.87Å; I488-K491 PolarHBondContact O-N 3.19Å; K491-L494 PolarHBondContact O-N 3.39Å; K491-R495 PolarHBondContact O-N 3.29Å; K491-F644 HydrophobicContact CG-CE1 4.39Å; K491-F644 HydrophobicContact CG-CZ 4.16Å; K491-H649 WeakPolarHBondContact CE-ND1 3.39Å; K491-H649 PolarHBondContact NZ-CE1 2.9Å; K491-H649 PolarHBondContact NZ-ND1 2.74Å; K491-L684 HydrophobicContact CB-CD1 3.86Å; K491-L684 HydrophobicContact CB-CD2 4Å; K491-L684 HydrophobicContact CB-CG 3.87Å; K491-H685 PolarHBondContact NZ-ND1 2.83Å; K491-H685 VanDerWaalsContact NZ-ND1 3.13Å; K491-F688 HydrophobicContact CB-CB 4.47Å; K491-F688 HydrophobicContact CB-CD2 4.09Å; K491-F688 HydrophobicContact CB-CG 4.4Å; K491-F688 HydrophobicContact CD-CB 3.82Å; K491-F688 HydrophobicContact CD-CD1 4.02Å; K491-F688 HydrophobicContact CD-CD2 4.14Å; K491-F688 HydrophobicContact CD-CG 3.7Å; K491-F688 HydrophobicContact CG-CB 4.14Å; K491-F688 HydrophobicContact CG-CD1 4.27Å; K491-F688 HydrophobicContact CG-CD2 3.59Å; K491-F688 HydrophobicContact CG-CE2 4.01Å; K491-F688 HydrophobicContact CG-CG 3.72Å
492	E	94.5	Very high	87.2	Confident	6 Å²	6	25 Å²	25	3%	0.028	15%	0.145	C	C	.	.	H	α-helix	trans	-67.7	-42	180	-174	63.7	172	0	0	112.8	A461 I488 L489 V490 L494 R495 L496 Y680 L684	A461-E492 HydrophobicContact CB-CB 4.29Å; A461-E492 HydrophobicContact CB-CG 3.93Å; I488-E492 PolarHBondContact O-N 2.56Å; L489-E492 PolarHBondContact O-N 3.45Å; V490-E492 PolarHBondContact O-N 3.11Å; E492-L494 VanDerWaalsContact C-N 3.32Å; E492-L494 PolarHBondContact O-N 3.36Å; E492-R495 VanDerWaalsContact CD-NH2 3.26Å; E492-R495 PolarHBondContact O-N 2.68Å; E492-R495 IonicContact OE1-CZ 3.78Å; E492-R495 IonicContact OE1-NE 3.82Å; E492-R495 IonicContact OE1-NH2 2.73Å; E492-R495 PolarHBondContact OE1-NH2 3.17Å; E492-R495 IonicContact OE2-CZ 3.58Å; E492-R495 IonicContact OE2-NE 3.28Å; E492-R495 PolarHBondContact OE2-NE 3.5Å; E492-R495 IonicContact OE2-NH2 2.7Å; E492-R495 PolarHBondContact OE2-NH2 3.14Å; E492-L496 HydrophobicContact CG-CD1 4.04Å; E492-L496 HydrophobicContact CG-CG 4.42Å; E492-L496 WeakPolarHBondContact O-CG 3.46Å; E492-L496 PolarHBondContact O-N 3.18Å; E492-Y680 VanDerWaalsContact CD-OH 3.24Å; E492-Y680 WeakPolarHBondContact CG-OH 3.38Å; E492-Y680 PolarHBondContact OE2-OH 2.82Å; E492-L684 HydrophobicContact CB-CD2 4.3Å; E492-L684 WeakPolarHBondContact OE2-CD1 3.44Å
493	M	95.5	Very high	84.2	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-45.8	172.9	-72	-171.2	-65.2	0	0	111.4	A461 I464 M465 L468 W480 L489 V490 R495 L496 A497	A461-M493 HydrophobicContact CB-CB 4.48Å; A461-M493 HydrophobicContact CB-CG 3.56Å; I464-M493 HydrophobicContact CB-SD 4.06Å; I464-M493 HydrophobicContact CG2-CE 4.48Å; I464-M493 HydrophobicContact CG2-SD 3.62Å; M465-M493 HydrophobicContact CG-CB 3.91Å; M465-M493 HydrophobicContact CG-CG 3.74Å; M465-M493 HydrophobicContact CG-SD 3.95Å; M465-M493 HydrophobicContact SD-CB 3.93Å; M465-M493 HydrophobicContact SD-CG 4.28Å; L468-M493 HydrophobicContact CD1-SD 4.22Å; W480-M493 HydrophobicContact CH2-CE 3.94Å; W480-M493 HydrophobicContact CZ3-CE 3.82Å; L489-M493 WeakPolarHBondContact O-CG 3.28Å; L489-M493 PolarHBondContact O-N 3.24Å; V490-M493 HydrophobicContact CB-CE 4.21Å; V490-M493 HydrophobicContact CG2-CE 3.6Å; V490-M493 PolarHBondContact O-N 3.03Å; M493-R495 PolarHBondContact O-N 3.08Å; M493-L496 PolarHBondContact O-N 2.93Å; M493-A497 WeakPolarHBondContact O-CB 3.42Å; M493-A497 PolarHBondContact O-N 3.38Å
494	L	96.4	Very high	81	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-37.9	179.2	-65.8	168.2	0	0	0	112	V490 K491 E492 N498 A636 T639 W687 F688 W691	V490-L494 HydrophobicContact CG1-CD1 3.81Å; V490-L494 HydrophobicContact CG1-CG 4.33Å; V490-L494 VanDerWaalsContact O-CG 3.28Å; V490-L494 WeakPolarHBondContact O-CG 3.27Å; V490-L494 PolarHBondContact O-N 3.41Å; K491-L494 PolarHBondContact O-N 3.39Å; E492-L494 VanDerWaalsContact C-N 3.32Å; E492-L494 PolarHBondContact O-N 3.36Å; L494-N498 WeakPolarHBondContact O-CB 3.01Å; L494-N498 PolarHBondContact O-N 3.49Å; L494-N498 VanDerWaalsContact O-N 3.08Å; L494-A636 HydrophobicContact CD2-CB 4.5Å; L494-T639 HydrophobicContact CD1-CG2 4.45Å; L494-T639 HydrophobicContact CD2-CG2 4.32Å; L494-T639 WeakPolarHBondContact CD2-OG1 3.5Å; L494-W687 VanDerWaalsContact C-CH2 3.48Å; L494-W687 HydrophobicContact CB-CH2 4.19Å; L494-W687 HydrophobicContact CB-CZ3 4.32Å; L494-F688 HydrophobicContact CD1-CD2 4.48Å; L494-F688 HydrophobicContact CD1-CE2 3.84Å; L494-W691 HydrophobicContact CB-CH2 4.35Å; L494-W691 HydrophobicContact CB-CZ3 4.48Å; L494-W691 HydrophobicContact CD1-CH2 3.84Å; L494-W691 HydrophobicContact CD1-CZ3 3.75Å; L494-W691 HydrophobicContact CD2-CH2 3.89Å; L494-W691 HydrophobicContact CD2-CZ2 4.27Å; L494-W691 HydrophobicContact CG-CH2 4.24Å
495	R	95	Very high	78.2	Confident	27 Å²	27	39 Å²	39	10%	0.102	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-49.4	175.5	-173.3	167.7	68.7	163.7	3.7	112.5	K491 E492 M493 N498 S499 Y680 D683 L684 W687	K491-R495 PolarHBondContact O-N 3.29Å; E492-R495 VanDerWaalsContact CD-NH2 3.26Å; E492-R495 PolarHBondContact O-N 2.68Å; E492-R495 IonicContact OE1-CZ 3.78Å; E492-R495 IonicContact OE1-NE 3.82Å; E492-R495 IonicContact OE1-NH2 2.73Å; E492-R495 PolarHBondContact OE1-NH2 3.17Å; E492-R495 IonicContact OE2-CZ 3.58Å; E492-R495 IonicContact OE2-NE 3.28Å; E492-R495 PolarHBondContact OE2-NE 3.5Å; E492-R495 IonicContact OE2-NH2 2.7Å; E492-R495 PolarHBondContact OE2-NH2 3.14Å; M493-R495 PolarHBondContact O-N 3.08Å; R495-N498 PolarHBondContact O-N 3.12Å; R495-S499 PolarHBondContact O-N 3.37Å; R495-S499 PolarHBondContact O-OG 3.17Å; R495-Y680 VanDerWaalsContact NH2-CE2 3.31Å; R495-D683 IonicContact CZ-OD2 3.54Å; R495-D683 IonicContact NH1-OD2 2.73Å; R495-D683 PolarHBondContact NH1-OD2 2.87Å; R495-L684 HydrophobicContact CB-CD1 4.21Å; R495-W687 VanDerWaalsContact CA-CZ2 3.47Å; R495-W687 HydrophobicContact CB-CD2 3.96Å; R495-W687 HydrophobicContact CB-CE3 3.64Å; R495-W687 HydrophobicContact CB-CH2 3.77Å; R495-W687 HydrophobicContact CB-CZ2 4.01Å; R495-W687 HydrophobicContact CB-CZ3 3.54Å; R495-W687 HydrophobicContact CG-CD2 3.71Å; R495-W687 HydrophobicContact CG-CE3 3.92Å; R495-W687 HydrophobicContact CG-CG 4.25Å; R495-W687 HydrophobicContact CG-CH2 4.37Å; R495-W687 HydrophobicContact CG-CZ2 4.11Å; R495-W687 HydrophobicContact CG-CZ3 4.24Å; R495-W687 VanDerWaalsContact N-CH2 3.27Å
496	L	93.2	Very high	75.5	Confident	31 Å²	31	47.5 Å²	47.5	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-44.5	178.4	-66.3	173.9	0	0	0	110.9	D458 A461 V462 M465 E492 M493 N498 S499 V500	D458-L496 HydrophobicContact CB-CD1 4.36Å; A461-L496 HydrophobicContact CB-CD1 3.89Å; V462-L496 HydrophobicContact CG2-CD1 3.95Å; M465-L496 HydrophobicContact CE-CB 3.71Å; M465-L496 HydrophobicContact CE-CD1 4.09Å; E492-L496 HydrophobicContact CG-CD1 4.04Å; E492-L496 HydrophobicContact CG-CG 4.42Å; E492-L496 WeakPolarHBondContact O-CG 3.46Å; E492-L496 PolarHBondContact O-N 3.18Å; M493-L496 PolarHBondContact O-N 2.93Å; L496-N498 PolarHBondContact O-N 3.34Å; L496-S499 PolarHBondContact O-N 3.06Å; L496-S499 VanDerWaalsContact O-N 3.08Å; L496-V500 WeakPolarHBondContact O-CG2 3.34Å
497	A	92.9	Very high	72.5	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-57.8	-34	177.2	0	0	0	0	0	113.3	M465 M493 Y632 R633 L635 A636	M465-A497 HydrophobicContact SD-CB 4.13Å; M493-A497 WeakPolarHBondContact O-CB 3.42Å; M493-A497 PolarHBondContact O-N 3.38Å; A497-Y632 WeakPolarHBondContact CB-O 3.48Å; A497-R633 WeakPolarHBondContact O-CA 3.32Å; A497-L635 HydrophobicContact CB-CB 4.25Å; A497-A636 HydrophobicContact CB-CB 4.06Å
498	N	90.2	Very high	69.8	Low	57 Å²	57	61.1 Å²	61.1	31%	0.305	37%	0.369	S	S	.	.	H	α-helix	trans	-80.1	-19.2	179.1	-163.4	69.7	0	0	0	113.8	L494 R495 L496 A636 W687	L494-N498 WeakPolarHBondContact O-CB 3.01Å; L494-N498 PolarHBondContact O-N 3.49Å; L494-N498 VanDerWaalsContact O-N 3.08Å; R495-N498 PolarHBondContact O-N 3.12Å; L496-N498 PolarHBondContact O-N 3.34Å; N498-A636 HydrophobicContact CB-CB 4.33Å; N498-W687 HydrophobicContact CB-CZ2 4.11Å
499	S	81.3	Confident	67.1	Low	78 Å²	78	69.7 Å²	69.7	55%	0.545	41%	0.407	S	S	.	.	H	α-helix	trans	-87.1	-14.6	-170.6	-59.2	0	0	0	0	114.5	R495 L496 S501	R495-S499 PolarHBondContact O-N 3.37Å; R495-S499 PolarHBondContact O-OG 3.17Å; L496-S499 PolarHBondContact O-N 3.06Å; L496-S499 VanDerWaalsContact O-N 3.08Å; S499-S501 PolarHBondContact O-N 2.96Å
500	V	63.1	Low	64.2	Low	55 Å²	55	76.4 Å²	76.4	33%	0.333	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	25.6	-168.8	-174.5	0	0	0	0	113.9	L496 I627	L496-V500 WeakPolarHBondContact O-CG2 3.34Å; V500-I627 HydrophobicContact CG2-CG2 4.19Å
501	S	42	Very low	61.3	Low	64 Å²	64	83.9 Å²	83.9	45%	0.448	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	3.4	-170.9	-161.7	0	0	0	0	116.9	S499 R633	S499-S501 PolarHBondContact O-N 2.96Å; S501-R633 PolarHBondContact OG-NH1 2.95Å
502	N	36.7	Very low	58.5	Low	168 Å²	168	92.4 Å²	92.4	90%	0.898	52%	0.522	S	S	*	.	S	Bend	trans	-119.1	43.8	-171.5	-70.3	-2.9	0	0	0	114.7
503	G	33.6	Very low	55.8	Low	59 Å²	59	98.1 Å²	98.1	61%	0.608	56%	0.563	S	S	*	*	S	Bend	trans	-151.7	120.2	172.3	0	0	0	0	0	111.9
504	T	29.8	Very low	53	Low	149 Å²	149	107 Å²	107	91%	0.914	60%	0.604	S	S	*	*			trans	70.2	84.2	167.2	65.4	0	0	0	0	118.3
505	S	34.1	Very low	49.8	Very low	117 Å²	117	112.5 Å²	112.5	82%	0.818	64%	0.64	S	S	*	*			trans	-130.1	102.1	145.1	-49.6	0	0	0	0	108.8
506	E	34.2	Very low	46.9	Very low	179 Å²	179	119.2 Å²	119.2	84%	0.836	68%	0.676	S	S	*	*			trans	62.2	107.7	138.4	-60	-176.2	167.9	0	0	120.7	S508	E506-S508 PolarHBondContact O-N 2.99Å
507	D	32.6	Very low	43.8	Very low	169 Å²	169	123.7 Å²	123.7	90%	0.904	71%	0.705	S	S	*	*			trans	-20.5	107.9	133.1	-70.1	-54.3	0	0	0	114.2
508	S	37.4	Very low	40.9	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	74%	0.742	S	S	*	*			trans	-135.4	105.8	151.6	45.1	0	0	0	0	108.8	E506	E506-S508 PolarHBondContact O-N 2.99Å
509	K	37.7	Very low	38.1	Very low	182 Å²	182	132.1 Å²	132.1	79%	0.791	76%	0.763	S	S	*	*			trans	-69.9	145.5	170.2	-75.2	174.7	175.5	170.2	0	109.9
510	N	35	Very low	35.6	Very low	140 Å²	140	133.5 Å²	133.5	75%	0.749	77%	0.772	S	S	*	*			trans	77.2	103.5	158	-52.6	-16.2	0	0	0	116.9
511	D	34.8	Very low	34.1	Very low	157 Å²	157	137.1 Å²	137.1	84%	0.84	80%	0.795	S	S	*	*				-173.9	152	95.1	-102.4	-22.7	0	0	0	112.6
512	H	37.6	Very low	33.5	Very low	181 Å²	181	144.9 Å²	144.9	84%	0.838	82%	0.815	S	S	*	*			trans	-72.4	129.1	-170.5	-67.7	-86.7	0	0	0	114.3
513	S	39.5	Very low	33.2	Very low	126 Å²	126	144.2 Å²	144.2	88%	0.881	81%	0.811	S	S	*	*			trans	-171.5	133.7	137.7	10.6	0	0	0	0	111.6
514	E	35.1	Very low	32.9	Very low	190 Å²	190	149.7 Å²	149.7	89%	0.888	82%	0.818	S	S	*	*			trans	-70.2	162.8	-174.9	-91.5	-166.6	156.4	0	0	115.7
515	P	31	Very low	32.9	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	81%	0.807	S	S	*	*			trans	-99.5	153.9	-159.1	38	-31.7	0	0	0	114.5
516	I	33.6	Very low	32.8	Very low	168 Å²	168	149 Å²	149	86%	0.862	81%	0.805	S	S	*	*			trans	-116.6	120.6	163.6	-63.1	176.3	0	0	0	109.6
517	T	27.4	Very low	32.8	Very low	126 Å²	126	146.5 Å²	146.5	77%	0.773	80%	0.797	S	S	*	*			trans	-65.9	130.2	174.2	42	0	0	0	0	113.9
518	T	31.7	Very low	32.7	Very low	129 Å²	129	142.6 Å²	142.6	79%	0.791	78%	0.782	S	S	*	*			trans	-159.5	105.4	142.4	46	0	0	0	0	112.4
519	S	31	Very low	32.4	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	78%	0.779	S	S	*	*			trans	38.5	124.7	135.1	62.5	0	0	0	0	123.2
520	S	29.4	Very low	32	Very low	107 Å²	107	140 Å²	140	75%	0.748	77%	0.772	S	S	*	*			trans	80.1	91.2	132.7	71.4	0	0	0	0	120.9
521	T	32.7	Very low	31.8	Very low	132 Å²	132	142 Å²	142	81%	0.81	77%	0.771	S	S	*	*			trans	-151.5	121.6	130	22.6	0	0	0	0	107.9	D523	T521-D523 PolarHBondContact O-N 3.45Å
522	R	29.3	Very low	31.5	Very low	227 Å²	227	139.8 Å²	139.8	86%	0.857	76%	0.762	S	S	*	*			trans	-74.4	112.1	179.7	-75.2	178.5	173.3	121.6	-2.9	109.3	F524	R522-F524 HydrophobicContact CB-CD2 4.47Å; R522-F524 HydrophobicContact CB-CE2 4.3Å; R522-F524 PolarHBondContact O-N 2.85Å
523	D	29.8	Very low	31	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	76%	0.763	S	S	*	*			trans	-73.5	107.3	167.3	-69.2	-40	0	0	0	109.9	T521 A525	T521-D523 PolarHBondContact O-N 3.45Å; D523-A525 VanDerWaalsContact C-N 3.34Å; D523-A525 PolarHBondContact O-N 3.29Å
524	F	27.4	Very low	30.4	Very low	174 Å²	174	141.4 Å²	141.4	76%	0.763	77%	0.766	S	S	*	*			trans	-86.7	77.6	166.8	-83	-86.3	0	0	0	109.2	R522	R522-F524 HydrophobicContact CB-CD2 4.47Å; R522-F524 HydrophobicContact CB-CE2 4.3Å; R522-F524 PolarHBondContact O-N 2.85Å
525	A	30.1	Very low	30	Very low	82 Å²	82	137.4 Å²	137.4	68%	0.678	76%	0.76	S	S	*	*			trans	-102	84.1	161.8	0	0	0	0	0	108.1	D523 I527	D523-A525 VanDerWaalsContact C-N 3.34Å; D523-A525 PolarHBondContact O-N 3.29Å; A525-I527 PolarHBondContact O-N 3.04Å; A525-I527 VanDerWaalsContact O-N 3.11Å
526	H	32.3	Very low	30	Very low	169 Å²	169	138.7 Å²	138.7	78%	0.782	77%	0.765	S	S	*	*			trans	-72.6	104.2	165.5	-93	-69	0	0	0	108.5	S528	H526-S528 PolarHBondContact O-N 3.38Å
527	I	33.2	Very low	29.8	Very low	128 Å²	128	138.1 Å²	138.1	66%	0.656	76%	0.763	S	S	*	*			trans	-57.8	112.9	168.2	-62.2	165.1	0	0	0	107.9	A525 N529	A525-I527 PolarHBondContact O-N 3.04Å; A525-I527 VanDerWaalsContact O-N 3.11Å; I527-N529 HydrophobicContact CG2-CB 4.19Å; I527-N529 WeakPolarHBondContact CG2-OD1 3.49Å; I527-N529 PolarHBondContact O-N 2.93Å
528	S	31.4	Very low	30	Very low	86 Å²	86	138 Å²	138	60%	0.601	77%	0.768	S	S	*	*			trans	-72.5	76	163.8	-79.3	0	0	0	0	109.2	H526 T530	H526-S528 PolarHBondContact O-N 3.38Å; S528-T530 VanDerWaalsContact C-N 3.27Å; S528-T530 PolarHBondContact O-N 2.95Å; S528-T530 VanDerWaalsContact O-N 3.12Å
529	N	30.1	Very low	30	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	76%	0.763	S	S	*	*			trans	-77.5	79.6	163.6	-83.5	-14.7	0	0	0	108.4	I527	I527-N529 HydrophobicContact CG2-CB 4.19Å; I527-N529 WeakPolarHBondContact CG2-OD1 3.49Å; I527-N529 PolarHBondContact O-N 2.93Å
530	T	29.9	Very low	30.1	Very low	107 Å²	107	138.9 Å²	138.9	66%	0.656	77%	0.769	S	S	*	*			trans	-142.3	115.1	152.9	46.1	0	0	0	0	107.2	S528	S528-T530 VanDerWaalsContact C-N 3.27Å; S528-T530 PolarHBondContact O-N 2.95Å; S528-T530 VanDerWaalsContact O-N 3.12Å
531	Y	29.7	Very low	30.1	Very low	182 Å²	182	140.8 Å²	140.8	71%	0.714	77%	0.771	S	S	*	*	S	Bend	trans	142.5	48.4	160.8	-73.3	-62.3	0	0	0	112.7
532	T	29	Very low	30.2	Very low	109 Å²	109	144 Å²	144	67%	0.669	78%	0.777	S	S	*	*			trans	-143.5	106	155.2	45.2	0	0	0	0	105.3
533	D	27.5	Very low	30.2	Very low	160 Å²	160	138 Å²	138	86%	0.856	77%	0.769	S	S	*	*			trans	170.2	81.6	153.5	-86	-15.6	0	0	0	108.6
534	L	27.3	Very low	30.4	Very low	181 Å²	181	137.1 Å²	137.1	95%	0.948	77%	0.769	S	S	*	*			trans	-168.1	65.1	157.5	-110.1	138.9	0	0	0	110.4
535	S	27.3	Very low	30.6	Very low	107 Å²	107	134.2 Å²	134.2	75%	0.748	77%	0.77	S	S	*	*			trans	-166	132.1	150.4	57.2	0	0	0	0	111
536	V	31	Very low	30.5	Very low	142 Å²	142	139.5 Å²	139.5	86%	0.861	78%	0.781	S	S	*	*			trans	104.3	113.1	157.8	-164.9	0	0	0	0	116.4
537	L	27.5	Very low	30.5	Very low	157 Å²	157	136.7 Å²	136.7	82%	0.822	78%	0.78	S	S	*	*			trans	-58.9	171	172.1	-71.4	141.9	0	0	0	114.2
538	S	33.5	Very low	30.3	Very low	124 Å²	124	135.8 Å²	135.8	87%	0.867	79%	0.786	S	S	*	*			trans	77.1	131.1	168	75.3	0	0	0	0	113.9
539	G	31.6	Very low	30.1	Very low	67 Å²	67	140.2 Å²	140.2	69%	0.691	80%	0.801	S	S	*	*			cis	158	139.3	8.9	0	0	0	0	0	105.2
540	E	33.2	Very low	30.3	Very low	184 Å²	184	138.3 Å²	138.3	86%	0.86	80%	0.799	S	S	*	*			trans	78.3	102.1	163.7	-55.4	-172.5	155.8	0	0	120.4
541	N	28.5	Very low	30.3	Very low	148 Å²	148	143.2 Å²	143.2	79%	0.791	81%	0.811	S	S	*	*				38.8	112.6	120.9	-59.5	-21.8	0	0	0	120.3
542	Q	35.7	Very low	30.4	Very low	200 Å²	200	141.2 Å²	141.2	94%	0.935	82%	0.818	S	S	*	*				-169.4	159.2	122.8	-104.3	167.1	32.3	0	0	112.2
543	S	29.3	Very low	30.2	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	82%	0.82	S	S	*	*			trans	-121	164.8	-141.3	50.4	0	0	0	0	114.3
544	V	32.3	Very low	30.3	Very low	135 Å²	135	140.8 Å²	140.8	82%	0.818	82%	0.818	S	S	*	*			trans	80.8	136.3	155.2	-169.7	0	0	0	0	114.9
545	S	32.5	Very low	30.3	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	80%	0.804	S	S	*	*			cis	-163.5	160	14.8	27.4	0	0	0	0	111.6
546	Q	27.1	Very low	30.2	Very low	193 Å²	193	136.6 Å²	136.6	90%	0.902	80%	0.803	S	S	*	*			trans	-82.2	153.4	-175.3	-62.3	164	-40.7	0	0	116.2
547	S	33.5	Very low	30	Very low	110 Å²	110	138.2 Å²	138.2	77%	0.769	80%	0.798	S	S	*	*			trans	-173	99.9	137.4	48	0	0	0	0	110.2
548	S	28.2	Very low	29.9	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	80%	0.796	S	S	*	*				71.6	94.2	100	70.8	0	0	0	0	116.9
549	L	28.6	Very low	29.5	Very low	178 Å²	178	143.7 Å²	143.7	93%	0.932	79%	0.79	S	S	*	*			trans	-155.5	158.7	141.3	-147.3	65	0	0	0	111.3
550	S	33	Very low	29.2	Very low	99 Å²	99	145.8 Å²	145.8	69%	0.692	79%	0.794	S	S	*	*			trans	-84.5	131.7	-143.9	49.7	0	0	0	0	118.6
551	K	30.1	Very low	28.8	Very low	209 Å²	209	144.3 Å²	144.3	91%	0.909	79%	0.786	S	S	*	*			trans	24.8	100.8	139.4	-65.6	-178.5	177.6	-179.9	0	119.5
552	V	30.9	Very low	28.9	Very low	140 Å²	140	146.3 Å²	146.3	85%	0.848	79%	0.791	S	S	*	*			trans	-139.5	129.5	136.4	180	0	0	0	0	106.3	P554	V552-P554 WeakPolarHBondContact O-CD 3.27Å
553	D	26.5	Very low	28.6	Very low	133 Å²	133	141 Å²	141	71%	0.711	77%	0.772	S	S	*	*			trans	-80.8	124.8	-165.9	-164.2	-3.5	0	0	0	112.8	S555	D553-S555 PolarHBondContact OD1-N 2.95Å
554	P	28.9	Very low	28.6	Very low	127 Å²	127	142.5 Å²	142.5	83%	0.825	77%	0.773	S	S	*	*			trans	-117.1	69.1	162	35.6	-19.2	0	0	0	109.7	V552 C556	V552-P554 WeakPolarHBondContact O-CD 3.27Å; P554-C556 PolarHBondContact O-N 2.89Å
555	S	27.4	Very low	28.6	Very low	94 Å²	94	145.5 Å²	145.5	66%	0.657	78%	0.778	S	S	*	*			trans	-84.5	96	168.8	80.4	0	0	0	0	110.7	D553	D553-S555 PolarHBondContact OD1-N 2.95Å
556	C	24.7	Very low	28.5	Very low	106 Å²	106	143.1 Å²	143.1	72%	0.716	75%	0.754	S	S	*	*			trans	-141.3	69.3	149.1	-131	0	0	0	0	108.8	P554	P554-C556 PolarHBondContact O-N 2.89Å
557	K	27.9	Very low	28.6	Very low	177 Å²	177	138.3 Å²	138.3	77%	0.77	73%	0.734	S	S	*	*			trans	-67.5	125.1	160	-101.1	178	173.4	178.1	0	107.3	Y559	K557-Y559 VanDerWaalsContact C-N 3.3Å; K557-Y559 HydrophobicContact CB-CD2 4.28Å; K557-Y559 PolarHBondContact O-N 3.29Å
558	W	25.2	Very low	28.4	Very low	205 Å²	205	142 Å²	142	78%	0.777	74%	0.74	S	S	*	*			trans	-66.1	95.3	164.7	-73.7	92.7	0	0	0	108.7	C560 N679	W558-C560 PolarHBondContact O-N 3.42Å; W558-N679 HydrophobicContact CZ2-CB 3.97Å; W558-N679 WeakPolarHBondContact CZ2-ND2 3.49Å
559	Y	24.2	Very low	28.5	Very low	190 Å²	190	144.2 Å²	144.2	75%	0.745	74%	0.743	S	S	*	*			trans	-76	105.6	162.3	-98.9	-91.1	0	0	0	107.8	K557 H561	K557-Y559 VanDerWaalsContact C-N 3.3Å; K557-Y559 HydrophobicContact CB-CD2 4.28Å; K557-Y559 PolarHBondContact O-N 3.29Å; Y559-H561 PolarHBondContact O-N 3.07Å
560	C	26.1	Very low	28.6	Very low	112 Å²	112	143.6 Å²	143.6	76%	0.757	74%	0.74	S	S	*	*			trans	-66.1	118.7	144.5	-74.6	0	0	0	0	105.7	W558 E562	W558-C560 PolarHBondContact O-N 3.42Å; C560-E562 PolarHBondContact O-N 2.94Å
561	H	25	Very low	28.6	Very low	153 Å²	153	143.1 Å²	143.1	71%	0.708	74%	0.736	S	S	*	*			trans	-63.5	110.1	173.5	-146	-83.9	0	0	0	108	Y559 T563	Y559-H561 PolarHBondContact O-N 3.07Å; H561-T563 WeakPolarHBondContact ND1-CG2 3.27Å; H561-T563 PolarHBondContact ND1-OG1 3.05Å; H561-T563 PolarHBondContact O-N 2.87Å
562	E	29	Very low	28.5	Very low	190 Å²	190	140.7 Å²	140.7	89%	0.888	73%	0.733	S	S	*	*			trans	-72.6	75.8	170.4	-74.7	178.7	158.8	0	0	108.8	C560	C560-E562 PolarHBondContact O-N 2.94Å
563	T	30	Very low	28.5	Very low	88 Å²	88	142.7 Å²	142.7	54%	0.54	74%	0.735	S	S	.	*			trans	-144.4	75.3	168.3	50.9	0	0	0	0	108.2	H561	H561-T563 WeakPolarHBondContact ND1-CG2 3.27Å; H561-T563 PolarHBondContact ND1-OG1 3.05Å; H561-T563 PolarHBondContact O-N 2.87Å
564	D	29.8	Very low	28.9	Very low	132 Å²	132	141.2 Å²	141.2	71%	0.706	74%	0.735	S	S	*	*	S	Bend	trans	-154.3	12.8	156	-84.8	-30.9	0	0	0	110.8
565	Q	31.1	Very low	28.9	Very low	198 Å²	198	142.6 Å²	142.6	93%	0.925	74%	0.736	S	S	*	*			trans	-101.2	87	167.2	-76.6	-172.4	3.5	0	0	108.7
566	E	31.1	Very low	29.3	Very low	61 Å²	61	143.4 Å²	143.4	29%	0.285	74%	0.739	S	S	.	*			trans	-93.3	133.1	160.3	-81.5	-169.6	179.5	0	0	109.1	F17 I20	F17-E566 WeakPolarHBondContact CA-OE2 3.26Å; F17-E566 HydrophobicContact CD2-CB 3.58Å; F17-E566 WeakPolarHBondContact CD2-O 3.4Å; F17-E566 HydrophobicContact CE2-CB 4.23Å; F17-E566 WeakPolarHBondContact CE2-O 3.28Å; F17-E566 PolarHBondContact N-OE2 2.93Å; I20-E566 HydrophobicContact CD1-CB 4.29Å; I20-E566 HydrophobicContact CD1-CG 3.88Å; I20-E566 WeakPolarHBondContact CD1-OE2 3.21Å
567	N	28.7	Very low	29.4	Very low	92 Å²	92	143.3 Å²	143.3	49%	0.492	74%	0.74	S	S	.	*			trans	56.2	102.2	145.1	-58.4	-31.8	0	0	0	120.3	F17	F17-N567 HydrophobicContact CB-CB 4.11Å; F17-N567 HydrophobicContact CD2-CB 4.14Å; F17-N567 HydrophobicContact CG-CB 4.12Å
568	E	30.3	Very low	29.5	Very low	189 Å²	189	143.7 Å²	143.7	88%	0.883	74%	0.741	S	S	*	*				-153.8	102.6	105	-106.3	178	-161.9	0	0	110.2
569	N	30.1	Very low	29.7	Very low	156 Å²	156	139.8 Å²	139.8	83%	0.834	74%	0.735	S	S	*	*			trans	-79.9	121.8	159.8	-79.1	-41.7	0	0	0	107.8
570	L	31.6	Very low	29.7	Very low	165 Å²	165	134.8 Å²	134.8	86%	0.864	73%	0.728	S	S	*	*			trans	-128.9	92	153.2	-155.8	71	0	0	0	109.2
571	S	32.5	Very low	29.7	Very low	88 Å²	88	138.8 Å²	138.8	62%	0.615	73%	0.732	S	S	*	*			trans	31	111.4	142.4	57.2	0	0	0	0	119.9
572	N	28.3	Very low	29.9	Very low	158 Å²	158	136.5 Å²	136.5	85%	0.845	73%	0.729	S	S	*	*				22.2	113.6	114	-65.4	-12.5	0	0	0	117.8
573	M	31	Very low	30	Very low	182 Å²	182	135.4 Å²	135.4	90%	0.897	72%	0.724	S	S	*	*				-175.3	101.3	126.4	-104.1	-162.5	167.9	0	0	107.7
574	S	34.1	Very low	30	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	74%	0.735	S	S	*	*				84.2	105.3	96.7	62.5	0	0	0	0	114
575	D	29.1	Very low	30.3	Very low	156 Å²	156	140.5 Å²	140.5	83%	0.834	74%	0.739	S	S	*	*			trans	-23.8	171.9	143.5	-92.6	-30.6	0	0	0	116.5
576	P	35.5	Very low	30.3	Very low	112 Å²	112	138.1 Å²	138.1	73%	0.727	73%	0.732	S	S	*	*			cis	-142.9	179.3	12.4	21.5	6.8	0	0	0	116.7
577	S	27.3	Very low	30.5	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	75%	0.75	S	S	*	*			trans	-31.5	145.3	164.4	51.1	0	0	0	0	120.5
578	F	28.9	Very low	30.7	Very low	184 Å²	184	141.9 Å²	141.9	81%	0.807	77%	0.765	S	S	*	*			trans	176.2	138.7	130.1	-125	-138.7	0	0	0	114.2
579	I	30.8	Very low	30.9	Very low	124 Å²	124	139 Å²	139	64%	0.636	76%	0.761	S	S	*	*			trans	61.8	107	144.7	-66.7	-173.7	0	0	0	118
580	S	24.5	Very low	31	Very low	85 Å²	85	136.7 Å²	136.7	59%	0.594	75%	0.754	S	S	*	*				77.5	131.4	71.4	91.1	0	0	0	0	116.5
581	F	25.4	Very low	31.1	Very low	196 Å²	196	134.5 Å²	134.5	86%	0.86	74%	0.743	S	S	*	*			trans	67.7	150.8	163.4	-73.1	-94.5	0	0	0	117.4
582	V	28.7	Very low	31.1	Very low	104 Å²	104	137.8 Å²	137.8	63%	0.63	75%	0.747	S	S	*	*			cis	-172.3	162.9	-24.4	131.3	0	0	0	0	104
583	E	30.6	Very low	31.3	Very low	168 Å²	168	136.8 Å²	136.8	79%	0.785	74%	0.741	S	S	*	*			trans	88	99.7	159.5	-90.7	163.7	-156.2	0	0	121.2
584	D	30.6	Very low	31.2	Very low	144 Å²	144	132.7 Å²	132.7	77%	0.77	73%	0.73	S	S	*	*				24.8	130.3	119.2	-69.8	-22	0	0	0	120.3
585	K	35.7	Very low	31	Very low	182 Å²	182	135.9 Å²	135.9	79%	0.791	73%	0.734	S	S	*	*				178.1	124.5	106.5	-94.8	164.8	-173.9	169.7	0	113.1
586	N	31.2	Very low	31.1	Very low	148 Å²	148	135 Å²	135	79%	0.791	73%	0.729	S	S	*	*			trans	53.8	123.2	132.6	-59.1	-17.5	0	0	0	120.2
587	A	34.9	Very low	30.8	Very low	78 Å²	78	141 Å²	141	65%	0.645	74%	0.737	S	S	*	*				171.2	126.5	99.1	0	0	0	0	0	113.4
588	N	34.1	Very low	30.8	Very low	154 Å²	154	144.3 Å²	144.3	82%	0.824	74%	0.743	S	S	*	*			trans	73.2	126.2	134.8	-59	-9.1	0	0	0	117.3
589	V	33.5	Very low	30.5	Very low	129 Å²	129	140.7 Å²	140.7	78%	0.782	74%	0.74	S	S	*	*			cis	-163.6	151.7	24.3	171.8	0	0	0	0	108.4
590	P	33.7	Very low	30.4	Very low	108 Å²	108	145.9 Å²	145.9	70%	0.701	75%	0.753	S	S	*	*			trans	-104.2	-172.5	-178	40.4	-31.6	0	0	0	114.3
591	D	32.3	Very low	30.4	Very low	118 Å²	118	147.1 Å²	147.1	63%	0.631	76%	0.762	S	S	*	*			trans	100.3	111.9	151.2	-92.9	-4.1	0	0	0	121
592	K	34.1	Very low	30.6	Very low	158 Å²	158	143.6 Å²	143.6	69%	0.687	76%	0.761	S	S	*	*				91.7	135.2	117.5	-80.5	171.8	-172.1	150.1	0	122.7
593	N	32.4	Very low	30.5	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	77%	0.765	S	S	*	*			trans	85.3	97.2	150.9	-60.3	-8.3	0	0	0	116.3
594	S	28.4	Very low	30.3	Very low	96 Å²	96	142 Å²	142	67%	0.671	77%	0.772	S	S	*	*				71.1	104.1	80.6	72.8	0	0	0	0	113
595	E	30.4	Very low	30.2	Very low	168 Å²	168	139.5 Å²	139.5	79%	0.785	77%	0.765	S	S	*	*				165.4	130.9	122.7	-89.6	177.3	-173.5	0	0	112.2
596	N	30.5	Very low	29.9	Very low	138 Å²	138	138 Å²	138	74%	0.738	77%	0.767	S	S	*	*			trans	66.9	98.4	147.8	-61.8	-26.1	0	0	0	121.2
597	R	29.5	Very low	29.8	Very low	237 Å²	237	137.3 Å²	137.3	89%	0.894	77%	0.767	S	S	*	*				-179.7	116	111.2	-103.6	176.4	-165.7	176.2	5.4	115.2
598	M	27.4	Very low	29.5	Very low	174 Å²	174	140.6 Å²	140.6	86%	0.857	77%	0.773	S	S	*	*			trans	50.3	124	140	-70.4	175.2	86.7	0	0	123
599	C	22.4	Very low	29.1	Very low	108 Å²	108	138.6 Å²	138.6	73%	0.73	77%	0.771	S	S	*	*			trans	-77.4	161.4	177.8	-52.5	0	0	0	0	115
600	Y	27.6	Very low	28.9	Very low	234 Å²	234	141.3 Å²	141.3	92%	0.918	77%	0.772	S	S	*	*				-155.1	109.7	115.4	-87.7	-70.3	0	0	0	110.3
601	S	24	Very low	28.5	Very low	111 Å²	111	142.2 Å²	142.2	78%	0.776	78%	0.778	S	S	*	*			trans	-127.1	130.2	159.1	60.6	0	0	0	0	107.1
602	S	30.9	Very low	28.5	Very low	121 Å²	121	144.3 Å²	144.3	85%	0.846	79%	0.788	S	S	*	*			trans	-129.5	101.5	162.3	52.7	0	0	0	0	109.7
603	S	27.1	Very low	28.1	Very low	101 Å²	101	141.5 Å²	141.5	71%	0.706	79%	0.788	S	S	*	*			trans	-74.7	134.7	151.3	54.8	0	0	0	0	108.6
604	C	26.5	Very low	28	Very low	139 Å²	139	142 Å²	142	94%	0.939	79%	0.79	S	S	*	*			trans	-114.8	97.2	152.6	-87	0	0	0	0	107.4
605	S	28.3	Very low	27.9	Very low	90 Å²	90	142.2 Å²	142.2	63%	0.629	79%	0.792	S	S	*	*			trans	-101.3	144.2	158.2	-53.2	0	0	0	0	106.8
606	D	28.2	Very low	27.7	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	79%	0.792	S	S	*	*			trans	73	112.4	163	-52	-31.9	0	0	0	117.6
607	V	30.5	Very low	27.6	Very low	132 Å²	132	142.9 Å²	142.9	80%	0.8	80%	0.8	S	S	*	*				179.4	106.9	119.6	167.2	0	0	0	0	107
608	L	27.4	Very low	27.5	Very low	148 Å²	148	139.8 Å²	139.8	78%	0.775	80%	0.8	S	S	*	*				157.2	97.8	116.9	-147.7	78.2	0	0	0	110.5	K610	L608-K610 PolarHBondContact O-N 3.43Å
609	S	25.7	Very low	27.6	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	80%	0.799	S	S	*	*			trans	-59.1	122.8	159.6	50.5	0	0	0	0	111.5
610	K	30.4	Very low	27.9	Very low	186 Å²	186	138.7 Å²	138.7	81%	0.809	80%	0.801	S	S	*	*			trans	-158.4	122.4	147.8	-105.8	175.6	-172.8	-179.7	0	108.8	L608	L608-K610 PolarHBondContact O-N 3.43Å
611	P	25.3	Very low	28.1	Very low	127 Å²	127	136.1 Å²	136.1	83%	0.825	80%	0.802	S	S	*	*			trans	-84.8	127.9	179.7	33	-28.5	0	0	0	109.4
612	I	31.2	Very low	28.4	Very low	161 Å²	161	135.4 Å²	135.4	83%	0.826	80%	0.797	S	S	*	*			trans	-113.3	102.3	161	-62	177.2	0	0	0	106.5
613	S	26.3	Very low	28.3	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	79%	0.792	S	S	*	*			trans	-60.4	121.7	161.8	48.1	0	0	0	0	109.9
614	N	30.4	Very low	28.6	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	79%	0.788	S	S	*	*			trans	170.3	87.7	149.1	-83.7	-12.3	0	0	0	106.3
615	S	26.7	Very low	29.2	Very low	101 Å²	101	133.6 Å²	133.6	71%	0.706	78%	0.775	S	S	*	*				93.5	100.7	92.9	69.5	0	0	0	0	112.5
616	S	26.2	Very low	29.8	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	77%	0.774	S	S	*	*			trans	60	83	143.8	66.8	0	0	0	0	119.7
617	F	28.6	Very low	30.7	Very low	209 Å²	209	129.6 Å²	129.6	92%	0.917	76%	0.756	S	S	*	*			trans	-162.1	50.3	140.7	-146.6	-101.9	0	0	0	112.7
618	L	26.8	Very low	31.6	Very low	172 Å²	172	126.9 Å²	126.9	90%	0.901	74%	0.737	S	S	*	*			trans	-146.2	81.1	174	-83.2	177.7	0	0	0	111.6
619	T	28.8	Very low	32.7	Very low	133 Å²	133	125.9 Å²	125.9	82%	0.816	74%	0.739	S	S	*	*			trans	-158.7	111.6	158.7	46.5	0	0	0	0	103
620	T	29.8	Very low	34.5	Very low	127 Å²	127	123.1 Å²	123.1	78%	0.779	72%	0.717	S	S	*	*				-164.6	125.5	59.3	39.5	0	0	0	0	109.1
621	L	30.4	Very low	36.7	Very low	180 Å²	180	118.5 Å²	118.5	94%	0.942	70%	0.701	S	S	*	*			trans	-81.2	110.3	163.1	-86	136.8	0	0	0	108.4
622	S	31	Very low	39.7	Very low	95 Å²	95	112.7 Å²	112.7	66%	0.664	66%	0.663	S	S	*	*			trans	-141.5	118.5	161	55.1	0	0	0	0	108.7	S624	S622-S624 PolarHBondContact O-N 2.88Å
623	D	28.3	Very low	42.6	Very low	141 Å²	141	111.1 Å²	111.1	75%	0.754	65%	0.647	S	S	*	*			trans	-43.4	136.8	154.2	-85.8	-39.7	0	0	0	109.2
624	S	34.1	Very low	45.7	Very low	88 Å²	88	108.4 Å²	108.4	62%	0.615	63%	0.626	S	S	*	*	S	Bend	trans	161	154.1	137.6	50	0	0	0	0	111.6	S622 A626	S622-S624 PolarHBondContact O-N 2.88Å; S624-A626 PolarHBondContact O-N 2.7Å
625	S	38.4	Very low	48.8	Very low	95 Å²	95	101.6 Å²	101.6	66%	0.664	59%	0.59	S	S	*	*			trans	-45.1	23.3	161.4	45.1	0	0	0	0	117.5	I627	S625-I627 PolarHBondContact O-N 3.24Å
626	A	40.8	Very low	52	Low	73 Å²	73	96.8 Å²	96.8	60%	0.603	56%	0.556	S	S	*	*			trans	-72.4	111.9	168.6	0	0	0	0	0	108.5	S624 D628	S624-A626 PolarHBondContact O-N 2.7Å; A626-D628 PolarHBondContact O-N 3.36Å; A626-D628 VanDerWaalsContact O-N 3.16Å
627	I	48.1	Very low	55.2	Low	85 Å²	85	94.3 Å²	94.3	44%	0.436	54%	0.539	S	S	.	.			trans	-52.7	121.6	165.2	-63.1	169.6	0	0	0	105.9	V500 S625 Y632	V500-I627 HydrophobicContact CG2-CG2 4.19Å; S625-I627 PolarHBondContact O-N 3.24Å; I627-Y632 HydrophobicContact CG2-CE2 4.49Å
628	D	48.5	Very low	58.4	Low	75 Å²	75	86.6 Å²	86.6	40%	0.401	51%	0.507	S	S	.	.			trans	-45.1	139.7	172.7	-83.1	-43.6	0	0	0	108.2	K466 A626 V630	K466-D628 VanDerWaalsContact CE-OD2 3.26Å; K466-D628 WeakPolarHBondContact CE-OD2 3.3Å; K466-D628 IonicContact NZ-OD2 3.74Å; K466-D628 PolarHBondContact NZ-OD2 3.48Å; A626-D628 PolarHBondContact O-N 3.36Å; A626-D628 VanDerWaalsContact O-N 3.16Å; D628-V630 HydrophobicContact CB-CB 4.34Å; D628-V630 HydrophobicContact CB-CG2 3.92Å; D628-V630 PolarHBondContact O-N 3.08Å
629	P	51.9	Low	61.7	Low	126 Å²	126	78.6 Å²	78.6	82%	0.818	47%	0.466	S	S	*	.	S	Bend	trans	-63.8	11.2	-179.5	27.2	-35	0	0	0	113.8	N631	P629-N631 PolarHBondContact O-N 3.32Å
630	V	63	Low	65	Low	54 Å²	54	75.4 Å²	75.4	33%	0.327	44%	0.441	S	S	.	.			trans	-61.3	115	173.1	178.9	0	0	0	0	109.1	K469 D628 Y632	K469-V630 HydrophobicContact CG-CG1 4.04Å; D628-V630 HydrophobicContact CB-CB 4.34Å; D628-V630 HydrophobicContact CB-CG2 3.92Å; D628-V630 PolarHBondContact O-N 3.08Å; V630-Y632 HydrophobicContact CB-CE1 4.45Å; V630-Y632 HydrophobicContact CB-CE2 3.95Å; V630-Y632 HydrophobicContact CG1-CD1 4.33Å; V630-Y632 HydrophobicContact CG1-CE1 3.72Å; V630-Y632 HydrophobicContact CG1-CE2 4.08Å; V630-Y632 WeakPolarHBondContact O-CD2 3.27Å; V630-Y632 VanDerWaalsContact O-CE2 3.23Å; V630-Y632 WeakPolarHBondContact O-CE2 3.39Å; V630-Y632 PolarHBondContact O-N 3.44Å; V630-Y632 VanDerWaalsContact O-N 3.13Å
631	N	76	Confident	68.2	Low	90 Å²	90	69.4 Å²	69.4	48%	0.481	40%	0.404	S	S	.	.			trans	-71.4	106.3	178.1	-172.8	-14.6	0	0	0	110.8	P629 R633	P629-N631 PolarHBondContact O-N 3.32Å; N631-R633 WeakPolarHBondContact OD1-CB 3.35Å; N631-R633 PolarHBondContact OD1-N 3.49Å
632	Y	89	Confident	71.4	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.016	36%	0.359	C	S	.	.			trans	-90.7	-0.2	174.7	-62.7	-70.3	0	0	0	113.5	M465 K466 K469 A497 I627 V630 T634 L635	M465-Y632 HydrophobicContact CB-CD1 3.95Å; M465-Y632 HydrophobicContact CB-CE1 3.95Å; M465-Y632 HydrophobicContact SD-CG 4.42Å; K466-Y632 WeakPolarHBondContact CG-OH 3.46Å; K469-Y632 HydrophobicContact CB-CD1 4.4Å; K469-Y632 HydrophobicContact CB-CE1 3.97Å; K469-Y632 HydrophobicContact CG-CE1 4.39Å; A497-Y632 WeakPolarHBondContact CB-O 3.48Å; I627-Y632 HydrophobicContact CG2-CE2 4.49Å; V630-Y632 HydrophobicContact CB-CE1 4.45Å; V630-Y632 HydrophobicContact CB-CE2 3.95Å; V630-Y632 HydrophobicContact CG1-CD1 4.33Å; V630-Y632 HydrophobicContact CG1-CE1 3.72Å; V630-Y632 HydrophobicContact CG1-CE2 4.08Å; V630-Y632 WeakPolarHBondContact O-CD2 3.27Å; V630-Y632 VanDerWaalsContact O-CE2 3.23Å; V630-Y632 WeakPolarHBondContact O-CE2 3.39Å; V630-Y632 PolarHBondContact O-N 3.44Å; V630-Y632 VanDerWaalsContact O-N 3.13Å; Y632-T634 PolarHBondContact O-N 3.49Å; Y632-L635 HydrophobicContact CD1-CD1 3.98Å; Y632-L635 VanDerWaalsContact O-CB 3.29Å; Y632-L635 WeakPolarHBondContact O-CB 3.4Å; Y632-L635 PolarHBondContact O-N 3.3Å
633	R	91.2	Very high	74.6	Confident	128 Å²	128	56.3 Å²	56.3	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-54.8	-31.5	-175.9	-170.8	175.2	179.9	172.2	-1.9	112.4	A497 S501 N631 L635 A636 S637	A497-R633 WeakPolarHBondContact O-CA 3.32Å; S501-R633 PolarHBondContact OG-NH1 2.95Å; N631-R633 WeakPolarHBondContact OD1-CB 3.35Å; N631-R633 PolarHBondContact OD1-N 3.49Å; R633-L635 PolarHBondContact O-N 3.49Å; R633-A636 PolarHBondContact O-N 2.84Å; R633-A636 VanDerWaalsContact O-N 3.11Å; R633-S637 PolarHBondContact O-N 3.34Å; R633-S637 PolarHBondContact O-OG 2.76Å
634	T	92.4	Very high	77.9	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.258	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-27.7	178.2	68.5	0	0	0	0	113.2	G474 Y632 S637 N638	G474-T634 VanDerWaalsContact O-CB 3.24Å; G474-T634 WeakPolarHBondContact O-CB 3.43Å; G474-T634 PolarHBondContact O-OG1 3.14Å; Y632-T634 PolarHBondContact O-N 3.49Å; T634-S637 WeakPolarHBondContact CA-OG 3.29Å; T634-N638 WeakPolarHBondContact O-CB 3.5Å; T634-N638 PolarHBondContact O-N 2.87Å; T634-N638 PolarHBondContact O-ND2 2.96Å
635	L	94.3	Very high	80.8	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-46.3	171.9	-67.4	174.2	0	0	0	111	M465 V473 I478 A497 Y632 R633 T639	M465-L635 HydrophobicContact CB-CD1 4.11Å; M465-L635 HydrophobicContact CG-CD1 3.83Å; M465-L635 HydrophobicContact SD-CD1 4.15Å; V473-L635 HydrophobicContact CB-CD2 4.18Å; V473-L635 HydrophobicContact CG1-CD2 3.6Å; V473-L635 WeakPolarHBondContact O-CD2 3.34Å; I478-L635 HydrophobicContact CD1-CD2 3.98Å; A497-L635 HydrophobicContact CB-CB 4.25Å; Y632-L635 HydrophobicContact CD1-CD1 3.98Å; Y632-L635 VanDerWaalsContact O-CB 3.29Å; Y632-L635 WeakPolarHBondContact O-CB 3.4Å; Y632-L635 PolarHBondContact O-N 3.3Å; R633-L635 PolarHBondContact O-N 3.49Å; L635-T639 PolarHBondContact O-N 3.05Å; L635-T639 PolarHBondContact O-OG1 3.42Å
636	A	94.8	Very high	83.4	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-49.5	178	0	0	0	0	0	111.2	L494 A497 N498 R633 N638 T639 W691	L494-A636 HydrophobicContact CD2-CB 4.5Å; A497-A636 HydrophobicContact CB-CB 4.06Å; N498-A636 HydrophobicContact CB-CB 4.33Å; R633-A636 PolarHBondContact O-N 2.84Å; R633-A636 VanDerWaalsContact O-N 3.11Å; A636-N638 VanDerWaalsContact C-N 3.33Å; A636-N638 PolarHBondContact O-N 3.48Å; A636-T639 PolarHBondContact O-N 2.9Å; A636-W691 HydrophobicContact CB-CZ2 3.99Å; A636-W691 WeakPolarHBondContact O-CZ2 3.43Å
637	S	93.7	Very high	85.9	Confident	59 Å²	59	38 Å²	38	41%	0.413	21%	0.206	S	C	.	.	H	α-helix	trans	-66.9	-31.3	-175.3	69.7	0	0	0	0	113.7	R633 T634	R633-S637 PolarHBondContact O-N 3.34Å; R633-S637 PolarHBondContact O-OG 2.76Å; T634-S637 WeakPolarHBondContact CA-OG 3.29Å
638	N	95	Very high	87.9	Confident	47 Å²	47	34.3 Å²	34.3	25%	0.251	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.3	-179.7	-65.4	-21.1	0	0	0	113.2	G474 P477 I478 T634 A636 Q640	G474-N638 PolarHBondContact O-ND2 2.91Å; P477-N638 CarbonylContact C-O 3.36Å; P477-N638 WeakPolarHBondContact CA-O 3.33Å; I478-N638 PolarHBondContact N-O 3.41Å; T634-N638 WeakPolarHBondContact O-CB 3.5Å; T634-N638 PolarHBondContact O-N 2.87Å; T634-N638 PolarHBondContact O-ND2 2.96Å; A636-N638 VanDerWaalsContact C-N 3.33Å; A636-N638 PolarHBondContact O-N 3.48Å; N638-Q640 PolarHBondContact O-N 2.89Å
639	T	97	Very high	89.9	Confident	4 Å²	4	31.1 Å²	31.1	3%	0.025	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	118.9	172.8	-70.5	0	0	0	0	110.4	W480 L494 L635 A636 V642 W691 V697	W480-T639 PolarHBondContact NE1-OG1 2.78Å; L494-T639 HydrophobicContact CD1-CG2 4.45Å; L494-T639 HydrophobicContact CD2-CG2 4.32Å; L494-T639 WeakPolarHBondContact CD2-OG1 3.5Å; L635-T639 PolarHBondContact O-N 3.05Å; L635-T639 PolarHBondContact O-OG1 3.42Å; A636-T639 PolarHBondContact O-N 2.9Å; T639-V642 HydrophobicContact CG2-CG2 4.13Å; T639-W691 HydrophobicContact CG2-CH2 4Å; T639-V697 HydrophobicContact CG2-CG1 4.21Å; T639-V697 HydrophobicContact CG2-CG2 4.42Å
640	Q	96.3	Very high	91.5	Very high	66 Å²	66	26.9 Å²	26.9	31%	0.308	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-33	-179.3	-65	-58.5	-47.3	0	0	112.6	P477 I478 N638 V697 Q698 L764	P477-Q640 HydrophobicContact CB-CG 3.87Å; I478-Q640 PolarHBondContact O-N 2.82Å; N638-Q640 PolarHBondContact O-N 2.89Å; Q640-V697 WeakPolarHBondContact O-CA 3.12Å; Q640-Q698 PolarHBondContact O-N 3.27Å; Q640-L764 HydrophobicContact CB-CD2 4.14Å; Q640-L764 HydrophobicContact CG-CD2 4.08Å
641	A	97.6	Very high	92.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	151	-175	0	0	0	0	0	113	I478 I479 W480 Q698 F758 L762	I478-A641 PolarHBondContact O-N 2.86Å; I479-A641 WeakPolarHBondContact CA-O 3.39Å; I479-A641 HydrophobicContact CG1-CB 4.41Å; I479-A641 HydrophobicContact CG2-CB 4.21Å; W480-A641 PolarHBondContact N-O 2.83Å; A641-Q698 CarbonylContact C-O 3.46Å; A641-Q698 WeakPolarHBondContact CA-O 3.37Å; A641-Q698 HydrophobicContact CB-CB 4.33Å; A641-F758 HydrophobicContact CB-CE1 3.79Å; A641-F758 HydrophobicContact CB-CZ 3.91Å; A641-L762 HydrophobicContact CB-CD1 3.79Å; A641-L762 HydrophobicContact CB-CD2 3.91Å
642	V	98	Very high	91.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.6	174.9	-173.2	0	0	0	0	110.4	W480 T639 F644 F688 V697 Q698 I699 L700	W480-V642 HydrophobicContact CB-CB 4.42Å; W480-V642 HydrophobicContact CB-CG1 4.08Å; W480-V642 HydrophobicContact CB-CG2 4.22Å; W480-V642 HydrophobicContact CG-CG2 4.43Å; W480-V642 CarbonylContact O-C 3.38Å; W480-V642 WeakPolarHBondContact O-CA 3.31Å; T639-V642 HydrophobicContact CG2-CG2 4.13Å; V642-F644 HydrophobicContact CB-CE2 4.13Å; V642-F644 HydrophobicContact CB-CZ 4.22Å; V642-F644 HydrophobicContact CG1-CD1 4.06Å; V642-F644 HydrophobicContact CG1-CD2 4.07Å; V642-F644 HydrophobicContact CG1-CE1 3.59Å; V642-F644 HydrophobicContact CG1-CE2 3.58Å; V642-F644 HydrophobicContact CG1-CG 4.29Å; V642-F644 HydrophobicContact CG1-CZ 3.33Å; V642-F688 HydrophobicContact CG2-CZ 4.27Å; V642-V697 HydrophobicContact CG2-CG1 4.01Å; V642-Q698 PolarHBondContact N-O 2.94Å; V642-I699 WeakPolarHBondContact O-CA 3.24Å; V642-L700 PolarHBondContact O-N 3.3Å
643	V	97.9	Very high	90.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.8	171.9	-176.9	0	0	0	0	108.8	W480 I481 T482 M645 L700 M702 I755 F758	W480-V643 PolarHBondContact O-N 3.39Å; I481-V643 HydrophobicContact CB-CB 4.45Å; I481-V643 HydrophobicContact CG1-CB 4.13Å; I481-V643 HydrophobicContact CG1-CG2 4.08Å; I481-V643 HydrophobicContact CG2-CB 4.39Å; I481-V643 HydrophobicContact CG2-CG1 4.49Å; T482-V643 PolarHBondContact N-O 2.89Å; T482-V643 PolarHBondContact OG1-O 3.37Å; V643-M645 HydrophobicContact CG1-CG 4.34Å; V643-L700 CarbonylContact C-O 3.6Å; V643-L700 VanDerWaalsContact CA-O 3.27Å; V643-L700 WeakPolarHBondContact CA-O 3.46Å; V643-L700 HydrophobicContact CG1-CB 4.36Å; V643-L700 HydrophobicContact CG1-CD2 4.01Å; V643-L700 HydrophobicContact CG1-CG 4.24Å; V643-L700 HydrophobicContact CG2-CB 4.22Å; V643-L700 HydrophobicContact CG2-CD2 4.31Å; V643-M702 HydrophobicContact CG1-CE 3.13Å; V643-I755 HydrophobicContact CG1-CG1 4.32Å; V643-F758 HydrophobicContact CG2-CD1 3.66Å; V643-F758 HydrophobicContact CG2-CE1 3.63Å
644	F	97.1	Very high	89.3	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.9	177.4	-67.9	-64.8	0	0	0	110.5	T482 K491 V642 T647 H649 F688 I699 L700 S701 M702 M728	T482-F644 VanDerWaalsContact OG1-CD1 3.26Å; T482-F644 WeakPolarHBondContact OG1-CD1 3.28Å; K491-F644 HydrophobicContact CG-CE1 4.39Å; K491-F644 HydrophobicContact CG-CZ 4.16Å; V642-F644 HydrophobicContact CB-CE2 4.13Å; V642-F644 HydrophobicContact CB-CZ 4.22Å; V642-F644 HydrophobicContact CG1-CD1 4.06Å; V642-F644 HydrophobicContact CG1-CD2 4.07Å; V642-F644 HydrophobicContact CG1-CE1 3.59Å; V642-F644 HydrophobicContact CG1-CE2 3.58Å; V642-F644 HydrophobicContact CG1-CG 4.29Å; V642-F644 HydrophobicContact CG1-CZ 3.33Å; F644-T647 HydrophobicContact CD1-CG2 4Å; F644-T647 WeakPolarHBondContact CD1-OG1 3.49Å; F644-T647 HydrophobicContact CE1-CG2 4.49Å; F644-H649 AromaticContact CD1-CE1 3.71Å; F644-H649 AromaticContact CD2-CE1 3.67Å; F644-H649 AromaticContact CD2-NE2 3.89Å; F644-H649 AromaticContact CE1-CE1 4Å; F644-H649 AromaticContact CE2-CE1 3.97Å; F644-H649 AromaticContact CG-CE1 3.54Å; F644-H649 AromaticContact CG-NE2 3.9Å; F644-F688 AromaticContact CE2-CE1 3.71Å; F644-F688 HydrophobicContact CE2-CE1 3.71Å; F644-F688 AromaticContact CE2-CZ 3.82Å; F644-F688 HydrophobicContact CE2-CZ 3.82Å; F644-F688 AromaticContact CZ-CE1 3.8Å; F644-F688 HydrophobicContact CZ-CE1 3.8Å; F644-F688 HydrophobicContact CZ-CE2 4.35Å; F644-F688 AromaticContact CZ-CZ 3.63Å; F644-F688 HydrophobicContact CZ-CZ 3.63Å; F644-I699 HydrophobicContact CD2-CG2 3.81Å; F644-I699 HydrophobicContact CE2-CG2 4.02Å; F644-L700 PolarHBondContact N-O 2.96Å; F644-S701 CarbonylContact O-C 3.56Å; F644-M702 PolarHBondContact O-N 3.37Å; F644-M728 HydrophobicContact CD2-CE 3.82Å; F644-M728 HydrophobicContact CE2-CE 3.46Å; F644-M728 VanDerWaalsContact CE2-CE 3.46Å; F644-M728 HydrophobicContact CZ-CE 4.36Å
645	M	95.8	Very high	88.1	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.7	174.5	-53.7	-179.2	82.2	0	0	109.6	W400 I481 T482 H483 S484 V643 T647 M702 I741 I755	W400-M645 HydrophobicContact CZ3-SD 4.28Å; I481-M645 HydrophobicContact CG2-SD 4.27Å; T482-M645 VanDerWaalsContact O-CB 3.28Å; T482-M645 WeakPolarHBondContact O-CB 3.5Å; T482-M645 WeakPolarHBondContact O-CG 3.38Å; T482-M645 PolarHBondContact O-N 2.81Å; H483-M645 WeakPolarHBondContact CA-O 3.48Å; S484-M645 PolarHBondContact N-O 2.96Å; V643-M645 HydrophobicContact CG1-CG 4.34Å; M645-T647 VanDerWaalsContact C-N 3.27Å; M645-T647 PolarHBondContact O-N 3.16Å; M645-M702 HydrophobicContact CE-CE 3.82Å; M645-M702 HydrophobicContact CE-SD 4.01Å; M645-M702 HydrophobicContact CG-CE 3.45Å; M645-M702 VanDerWaalsContact CG-CE 3.45Å; M645-M702 HydrophobicContact CG-SD 4.43Å; M645-M702 HydrophobicContact SD-CE 3.97Å; M645-I741 HydrophobicContact CB-CG2 4.49Å; M645-I741 HydrophobicContact CE-CG1 4.36Å; M645-I741 WeakPolarHBondContact CE-O 3.13Å; M645-I755 HydrophobicContact CE-CD1 4.36Å; M645-I755 HydrophobicContact SD-CD1 4.32Å
646	S	93.8	Very high	86.9	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	46.4	46.2	-177.1	-64.8	0	0	0	0	113.5	S484 M702 E704 V719 H738 I741	S484-S646 WeakPolarHBondContact CA-O 2.95Å; S646-M702 PolarHBondContact N-O 3.35Å; S646-E704 WeakPolarHBondContact CB-OE2 3.43Å; S646-E704 WeakPolarHBondContact OG-CB 3.2Å; S646-E704 PolarHBondContact OG-OE2 3.08Å; S646-V719 VanDerWaalsContact O-CG2 3.3Å; S646-V719 WeakPolarHBondContact O-CG2 3.31Å; S646-H738 WeakPolarHBondContact CB-ND1 3.37Å; S646-H738 PolarHBondContact O-CE1 3.16Å; S646-H738 VanDerWaalsContact O-CE1 3.3Å; S646-I741 VanDerWaalsContact OG-CD1 3.23Å; S646-I741 WeakPolarHBondContact OG-CD1 3.3Å
647	T	93.1	Very high	85.5	Confident	6 Å²	6	29.9 Å²	29.9	4%	0.037	16%	0.164	C	C	.	.			trans	-83.6	122.4	179.7	-62.3	0	0	0	0	110.3	S484 I488 F644 M645 H649	S484-T647 PolarHBondContact O-OG1 3.01Å; I488-T647 HydrophobicContact CD1-CG2 3.67Å; I488-T647 HydrophobicContact CG1-CG2 4.03Å; F644-T647 HydrophobicContact CD1-CG2 4Å; F644-T647 WeakPolarHBondContact CD1-OG1 3.49Å; F644-T647 HydrophobicContact CE1-CG2 4.49Å; M645-T647 VanDerWaalsContact C-N 3.27Å; M645-T647 PolarHBondContact O-N 3.16Å; T647-H649 VanDerWaalsContact C-N 3.29Å; T647-H649 WeakPolarHBondContact CG2-ND1 3.36Å; T647-H649 PolarHBondContact O-N 2.91Å
648	P	90	Very high	84.4	Confident	9 Å²	9	29.8 Å²	29.8	6%	0.058	16%	0.159	C	C	.	.			trans	-77	75.7	-179.5	31.6	-34.8	0	0	0	111.1	R650 G651 V719	P648-R650 PolarHBondContact O-N 3.49Å; P648-R650 VanDerWaalsContact O-N 3.1Å; P648-G651 PolarHBondContact O-N 3.09Å; P648-V719 HydrophobicContact CB-CG1 4.49Å; P648-V719 HydrophobicContact CB-CG2 3.87Å; P648-V719 HydrophobicContact CG-CG2 4.4Å
649	H	89.1	Confident	83.3	Confident	8 Å²	8	28.3 Å²	28.3	4%	0.037	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.4	-172.8	-68.5	-43.8	0	0	0	114.5	K491 F644 T647 D725	K491-H649 WeakPolarHBondContact CE-ND1 3.39Å; K491-H649 PolarHBondContact NZ-CE1 2.9Å; K491-H649 PolarHBondContact NZ-ND1 2.74Å; F644-H649 AromaticContact CD1-CE1 3.71Å; F644-H649 AromaticContact CD2-CE1 3.67Å; F644-H649 AromaticContact CD2-NE2 3.89Å; F644-H649 AromaticContact CE1-CE1 4Å; F644-H649 AromaticContact CE2-CE1 3.97Å; F644-H649 AromaticContact CG-CE1 3.54Å; F644-H649 AromaticContact CG-NE2 3.9Å; T647-H649 VanDerWaalsContact C-N 3.29Å; T647-H649 WeakPolarHBondContact CG2-ND1 3.36Å; T647-H649 PolarHBondContact O-N 2.91Å; H649-D725 IonicContact CD2-OD1 2.69Å; H649-D725 IonicContact CD2-OD2 2.99Å
650	R	85.3	Confident	82.4	Confident	37 Å²	37	35.7 Å²	35.7	14%	0.14	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	18.2	176.7	-60	177.6	-177.8	73.5	6.2	112.5	P648 K676 D677 L682 H685 D722 D725	P648-R650 PolarHBondContact O-N 3.49Å; P648-R650 VanDerWaalsContact O-N 3.1Å; R650-K676 WeakPolarHBondContact O-CA 3.36Å; R650-D677 PolarHBondContact O-N 2.95Å; R650-L682 HydrophobicContact CB-CD2 4.19Å; R650-L682 HydrophobicContact CG-CD2 3.98Å; R650-H685 VanDerWaalsContact CZ-CD2 3.48Å; R650-H685 PolarHBondContact NH2-CD2 3.3Å; R650-H685 PolarHBondContact NH2-NE2 2.95Å; R650-D722 VanDerWaalsContact CD-OD2 3.28Å; R650-D722 WeakPolarHBondContact CD-OD2 3.47Å; R650-D722 IonicContact CZ-OD2 3.7Å; R650-D722 VanDerWaalsContact CZ-OD2 3.28Å; R650-D722 IonicContact NE-OD2 2.72Å; R650-D722 PolarHBondContact NE-OD2 3.46Å; R650-D722 IonicContact NH1-OD2 3.23Å; R650-D722 PolarHBondContact NH1-OD2 3.36Å; R650-D725 IonicContact NH1-OD1 3.74Å; R650-D725 PolarHBondContact NH1-OD1 3.34Å
651	G	75.8	Confident	81	Confident	13 Å²	13	40.7 Å²	40.7	13%	0.134	19%	0.193	C	C	.	.			trans	83.4	173.6	-179.7	0	0	0	0	0	113.9	P648 L674	P648-G651 PolarHBondContact O-N 3.09Å; G651-L674 WeakPolarHBondContact CA-O 3.39Å
652	N	70.4	Confident	79.8	Confident	20 Å²	20	44.2 Å²	44.2	11%	0.107	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-97	110.3	-171.6	-176.9	-19.3	0	0	0	111	S654 V655 L674 I718	N652-S654 VanDerWaalsContact C-N 3.33Å; N652-S654 WeakPolarHBondContact OD1-CA 3.38Å; N652-S654 WeakPolarHBondContact OD1-CB 3.5Å; N652-S654 PolarHBondContact OD1-N 3.27Å; N652-V655 HydrophobicContact CB-CG2 3.88Å; N652-V655 VanDerWaalsContact CG-CG2 3.5Å; N652-V655 PolarHBondContact OD1-N 2.85Å; N652-L674 PolarHBondContact N-O 2.94Å; N652-I718 WeakPolarHBondContact ND2-CG2 3.03Å; N652-I718 PolarHBondContact OD1-O 3.45Å
653	Q	64.9	Low	78.6	Confident	113 Å²	113	49.7 Å²	49.7	53%	0.528	24%	0.24	S	C	.	.	S	Bend	trans	-68.4	-35.9	175.4	-163.6	164.5	-15.3	0	0	112.2	V655 H656 K676	Q653-V655 PolarHBondContact O-N 2.85Å; Q653-H656 VanDerWaalsContact O-CB 3.24Å; Q653-H656 WeakPolarHBondContact O-CB 3.3Å; Q653-H656 PolarHBondContact O-N 2.76Å; Q653-H656 VanDerWaalsContact O-N 3.14Å; Q653-K676 HydrophobicContact CB-CD 3.54Å; Q653-K676 HydrophobicContact CG-CD 3.73Å
654	S	63.6	Low	77.5	Confident	36 Å²	36	53.4 Å²	53.4	25%	0.252	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12	-162.8	-46.6	0	0	0	0	113.4	N652 W714 L717	N652-S654 VanDerWaalsContact C-N 3.33Å; N652-S654 WeakPolarHBondContact OD1-CA 3.38Å; N652-S654 WeakPolarHBondContact OD1-CB 3.5Å; N652-S654 PolarHBondContact OD1-N 3.27Å; S654-W714 WeakPolarHBondContact O-CZ2 3.2Å; S654-L717 WeakPolarHBondContact CB-O 3.44Å; S654-L717 PolarHBondContact OG-O 3.22Å
655	V	67.3	Low	76.2	Confident	24 Å²	24	62.8 Å²	62.8	15%	0.145	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	19.2	173.7	-59.5	0	0	0	0	112.9	N652 Q653 T657 L658 Y659 W714	N652-V655 HydrophobicContact CB-CG2 3.88Å; N652-V655 VanDerWaalsContact CG-CG2 3.5Å; N652-V655 PolarHBondContact OD1-N 2.85Å; Q653-V655 PolarHBondContact O-N 2.85Å; V655-T657 PolarHBondContact O-N 2.77Å; V655-L658 HydrophobicContact CB-CD1 4.09Å; V655-L658 HydrophobicContact CB-CG 4.4Å; V655-L658 HydrophobicContact CG1-CD1 4.4Å; V655-L658 WeakPolarHBondContact O-CB 3.28Å; V655-L658 PolarHBondContact O-N 3.47Å; V655-Y659 HydrophobicContact CG2-CD2 4.39Å; V655-Y659 HydrophobicContact CG2-CE2 3.47Å; V655-Y659 VanDerWaalsContact CG2-CE2 3.47Å; V655-Y659 WeakPolarHBondContact CG2-OH 3.37Å; V655-W714 HydrophobicContact CG1-CH2 4.19Å
656	H	68	Low	75.1	Confident	81 Å²	81	63.5 Å²	63.5	38%	0.375	30%	0.296	S	S	.	.	H	α-helix	trans	-51	-34.5	-178	-178.3	-99.2	0	0	0	114.2	Q653 L658 Y659 R660	Q653-H656 VanDerWaalsContact O-CB 3.24Å; Q653-H656 WeakPolarHBondContact O-CB 3.3Å; Q653-H656 PolarHBondContact O-N 2.76Å; Q653-H656 VanDerWaalsContact O-N 3.14Å; H656-L658 VanDerWaalsContact C-N 3.26Å; H656-L658 PolarHBondContact O-N 2.76Å; H656-Y659 PolarHBondContact O-N 3.47Å; H656-Y659 VanDerWaalsContact O-N 3.14Å; H656-R660 VanDerWaalsContact CE1-CZ 3.45Å; H656-R660 PolarHBondContact CE1-NE 2.82Å; H656-R660 VanDerWaalsContact CE1-NE 3.32Å; H656-R660 PolarHBondContact CE1-NH2 2.97Å
657	T	65.9	Low	74.1	Confident	98 Å²	98	64 Å²	64	60%	0.601	30%	0.298	S	S	*	.	H	α-helix	trans	-60.3	-33	175.6	-51.6	0	0	0	0	113	V655 Y659 R660	V655-T657 PolarHBondContact O-N 2.77Å; T657-Y659 VanDerWaalsContact C-N 3.31Å; T657-Y659 PolarHBondContact O-N 2.88Å; T657-R660 PolarHBondContact O-N 3.31Å
658	L	70.8	Confident	73	Confident	57 Å²	57	63.7 Å²	63.7	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-71.3	-26.6	178.3	-62.2	-177.2	0	0	0	112.5	F442 V655 H656 R660 F663 R664 L667	F442-L658 HydrophobicContact CZ-CD1 4.36Å; V655-L658 HydrophobicContact CB-CD1 4.09Å; V655-L658 HydrophobicContact CB-CG 4.4Å; V655-L658 HydrophobicContact CG1-CD1 4.4Å; V655-L658 WeakPolarHBondContact O-CB 3.28Å; V655-L658 PolarHBondContact O-N 3.47Å; H656-L658 VanDerWaalsContact C-N 3.26Å; H656-L658 PolarHBondContact O-N 2.76Å; L658-R660 VanDerWaalsContact C-N 3.29Å; L658-R660 PolarHBondContact O-N 2.76Å; L658-F663 CarbonylContact O-C 3.51Å; L658-R664 WeakPolarHBondContact O-CA 3.28Å; L658-R664 PolarHBondContact O-N 3.29Å; L658-L667 HydrophobicContact CB-CD1 4.37Å; L658-L667 WeakPolarHBondContact O-CD1 3.34Å
659	Y	71.9	Confident	72.3	Confident	16 Å²	16	66 Å²	66	6%	0.063	31%	0.311	C	S	.	.	H	α-helix	trans	-80.4	-9.6	179.7	-58.9	-54.6	0	0	0	113.6	V655 H656 T657 R664 L667 A671 L674 E675	V655-Y659 HydrophobicContact CG2-CD2 4.39Å; V655-Y659 HydrophobicContact CG2-CE2 3.47Å; V655-Y659 VanDerWaalsContact CG2-CE2 3.47Å; V655-Y659 WeakPolarHBondContact CG2-OH 3.37Å; H656-Y659 PolarHBondContact O-N 3.47Å; H656-Y659 VanDerWaalsContact O-N 3.14Å; T657-Y659 VanDerWaalsContact C-N 3.31Å; T657-Y659 PolarHBondContact O-N 2.88Å; Y659-R664 WeakPolarHBondContact O-CB 3.36Å; Y659-R664 WeakPolarHBondContact O-CD 3.4Å; Y659-R664 WeakPolarHBondContact O-CG 3.28Å; Y659-R664 PolarHBondContact O-NH1 3.27Å; Y659-R664 VanDerWaalsContact O-NH1 3.16Å; Y659-L667 HydrophobicContact CD1-CD1 3.52Å; Y659-L667 HydrophobicContact CE1-CD1 3.85Å; Y659-A671 WeakPolarHBondContact CE1-O 3.25Å; Y659-L674 PolarHBondContact OH-O 3.23Å; Y659-E675 WeakPolarHBondContact CB-OE1 3.34Å; Y659-E675 HydrophobicContact CD1-CB 4.04Å; Y659-E675 HydrophobicContact CD1-CG 4.34Å; Y659-E675 HydrophobicContact CD2-CB 4.02Å; Y659-E675 HydrophobicContact CD2-CG 3.73Å; Y659-E675 HydrophobicContact CE1-CB 4.13Å; Y659-E675 HydrophobicContact CE2-CB 4.08Å; Y659-E675 HydrophobicContact CE2-CG 4.21Å; Y659-E675 HydrophobicContact CG-CB 4.01Å; Y659-E675 HydrophobicContact CG-CG 3.82Å
660	R	77	Confident	71.7	Confident	159 Å²	159	65.7 Å²	65.7	60%	0.6	31%	0.31	S	S	*	.	S	Bend	trans	-89.5	153.5	174.9	-70.2	-175.5	165.8	175.3	-6.3	112	H656 T657 L658 F663 R664	H656-R660 VanDerWaalsContact CE1-CZ 3.45Å; H656-R660 PolarHBondContact CE1-NE 2.82Å; H656-R660 VanDerWaalsContact CE1-NE 3.32Å; H656-R660 PolarHBondContact CE1-NH2 2.97Å; T657-R660 PolarHBondContact O-N 3.31Å; L658-R660 VanDerWaalsContact C-N 3.29Å; L658-R660 PolarHBondContact O-N 2.76Å; R660-F663 PolarHBondContact O-N 2.77Å; R660-F663 VanDerWaalsContact O-N 3.08Å; R660-R664 PolarHBondContact O-N 2.96Å
661	R	67.3	Low	71.3	Confident	171 Å²	171	64 Å²	64	65%	0.645	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	146.2	171.1	-75.8	-173.3	172.8	129.4	1.9	110.4
662	P	72.9	Confident	71.2	Confident	75 Å²	75	65.4 Å²	65.4	49%	0.487	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83.8	-8.9	0.5	33.7	-35.2	0	0	0	114.3	R664 W665	P662-R664 VanDerWaalsContact C-N 3.3Å; P662-R664 PolarHBondContact O-N 3.45Å; P662-W665 PolarHBondContact O-N 3.31Å
663	F	72.8	Confident	71.6	Confident	115 Å²	115	65.8 Å²	65.8	50%	0.504	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-63.8	-30.2	-172.9	-60.2	-67.6	0	0	0	114.1	L658 R660 W665 A666	L658-F663 CarbonylContact O-C 3.51Å; R660-F663 PolarHBondContact O-N 2.77Å; R660-F663 VanDerWaalsContact O-N 3.08Å; F663-W665 PolarHBondContact O-N 2.95Å; F663-W665 VanDerWaalsContact O-N 3.1Å; F663-A666 VanDerWaalsContact O-CB 3.29Å; F663-A666 WeakPolarHBondContact O-CB 3.45Å; F663-A666 PolarHBondContact O-N 2.9Å
664	R	75.3	Confident	72.3	Confident	77 Å²	77	60.9 Å²	60.9	29%	0.291	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-52.9	-33.8	178	-166.6	-176.4	-177.5	83.2	-7.5	113.4	L658 Y659 R660 P662 A666 L667 I672 E675	L658-R664 WeakPolarHBondContact O-CA 3.28Å; L658-R664 PolarHBondContact O-N 3.29Å; Y659-R664 WeakPolarHBondContact O-CB 3.36Å; Y659-R664 WeakPolarHBondContact O-CD 3.4Å; Y659-R664 WeakPolarHBondContact O-CG 3.28Å; Y659-R664 PolarHBondContact O-NH1 3.27Å; Y659-R664 VanDerWaalsContact O-NH1 3.16Å; R660-R664 PolarHBondContact O-N 2.96Å; P662-R664 VanDerWaalsContact C-N 3.3Å; P662-R664 PolarHBondContact O-N 3.45Å; R664-A666 PolarHBondContact O-N 3.07Å; R664-L667 WeakPolarHBondContact O-CB 3.46Å; R664-L667 PolarHBondContact O-N 3.12Å; R664-L667 VanDerWaalsContact O-N 3.08Å; R664-I672 HydrophobicContact CG-CD1 4.24Å; R664-I672 HydrophobicContact CG-CG1 4.4Å; R664-E675 IonicContact CZ-OE2 3.71Å; R664-E675 IonicContact NH1-OE1 2.68Å; R664-E675 IonicContact NH1-OE2 3.23Å; R664-E675 PolarHBondContact NH1-OE2 2.94Å; R664-E675 IonicContact NH2-OE2 3.07Å; R664-E675 PolarHBondContact NH2-OE2 2.5Å
665	W	69.9	Low	72.9	Confident	200 Å²	200	61.4 Å²	61.4	76%	0.758	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-67.3	-21.1	-179.2	-72	8.9	0	0	0	113.5	P662 F663 L667	P662-W665 PolarHBondContact O-N 3.31Å; F663-W665 PolarHBondContact O-N 2.95Å; F663-W665 VanDerWaalsContact O-N 3.1Å; W665-L667 VanDerWaalsContact C-N 3.33Å
666	A	72	Confident	73.1	Confident	16 Å²	16	63.6 Å²	63.6	13%	0.132	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-78.3	-19.7	174.5	0	0	0	0	0	112.9	F442 V443 W444 F663 R664	F442-A666 CarbonylContact C-O 3.54Å; F442-A666 WeakPolarHBondContact CA-O 3.46Å; F442-A666 WeakPolarHBondContact CB-O 3.4Å; F442-A666 HydrophobicContact CD1-CB 4Å; V443-A666 PolarHBondContact N-O 3.39Å; W444-A666 HydrophobicContact CE3-CB 4.11Å; W444-A666 HydrophobicContact CH2-CB 3.35Å; W444-A666 HydrophobicContact CZ2-CB 4.3Å; W444-A666 HydrophobicContact CZ3-CB 3.23Å; F663-A666 VanDerWaalsContact O-CB 3.29Å; F663-A666 WeakPolarHBondContact O-CB 3.45Å; F663-A666 PolarHBondContact O-N 2.9Å; R664-A666 PolarHBondContact O-N 3.07Å
667	L	72.2	Confident	73.3	Confident	12 Å²	12	63.7 Å²	63.7	6%	0.063	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-81.1	146.6	-173	-65.9	174.2	0	0	0	111.9	P441 F442 V443 L658 Y659 R664 W665 A671 I672	P441-L667 CarbonylContact O-C 3.53Å; P441-L667 VanDerWaalsContact O-CA 3.28Å; P441-L667 WeakPolarHBondContact O-CA 3.32Å; P441-L667 WeakPolarHBondContact O-CD2 3.41Å; F442-L667 HydrophobicContact CD1-CD2 3.7Å; F442-L667 HydrophobicContact CE1-CD2 3.47Å; F442-L667 VanDerWaalsContact CE1-CD2 3.47Å; F442-L667 HydrophobicContact CE1-CG 4.45Å; F442-L667 HydrophobicContact CZ-CD2 4.41Å; V443-L667 VanDerWaalsContact CG2-O 3.31Å; V443-L667 WeakPolarHBondContact CG2-O 2.99Å; L658-L667 HydrophobicContact CB-CD1 4.37Å; L658-L667 WeakPolarHBondContact O-CD1 3.34Å; Y659-L667 HydrophobicContact CD1-CD1 3.52Å; Y659-L667 HydrophobicContact CE1-CD1 3.85Å; R664-L667 WeakPolarHBondContact O-CB 3.46Å; R664-L667 PolarHBondContact O-N 3.12Å; R664-L667 VanDerWaalsContact O-N 3.08Å; W665-L667 VanDerWaalsContact C-N 3.33Å; L667-A671 HydrophobicContact CB-CB 4.31Å; L667-A671 HydrophobicContact CD2-CB 4.2Å; L667-I672 HydrophobicContact CB-CD1 4.23Å; L667-I672 HydrophobicContact CB-CG1 3.74Å; L667-I672 HydrophobicContact CD1-CG1 4.28Å
668	T	71.5	Confident	74	Confident	0 Å²	0	60 Å²	60	0%	0	27%	0.274	C	S	.	.			trans	-74.9	157	170.3	57.6	0	0	0	0	110.9	K440 P441 F442 V443 I447 E670 A671 I672	K440-T668 WeakPolarHBondContact O-CB 3.34Å; K440-T668 WeakPolarHBondContact O-CG2 3.16Å; K440-T668 PolarHBondContact O-OG1 3.44Å; P441-T668 PolarHBondContact O-N 3.09Å; P441-T668 PolarHBondContact O-OG1 3.27Å; F442-T668 VanDerWaalsContact C-CG2 3.49Å; V443-T668 HydrophobicContact CG2-CG2 4.24Å; I447-T668 HydrophobicContact CD1-CG2 4.09Å; T668-E670 VanDerWaalsContact C-N 3.35Å; T668-E670 PolarHBondContact O-N 3.25Å; T668-E670 WeakPolarHBondContact OG1-CG 3.35Å; T668-A671 WeakPolarHBondContact O-CB 3.43Å; T668-A671 PolarHBondContact O-N 3.04Å; T668-A671 VanDerWaalsContact OG1-CB 3.3Å; T668-A671 WeakPolarHBondContact OG1-CB 3.31Å; T668-A671 PolarHBondContact OG1-N 3.2Å; T668-I672 WeakPolarHBondContact O-CG1 3.36Å; T668-I672 PolarHBondContact O-N 2.86Å
669	P	74.3	Confident	74.7	Confident	58 Å²	58	61.3 Å²	61.3	38%	0.377	28%	0.281	S	S	.	.	H	α-helix	trans	-53.7	-46.3	175.8	-27.6	34.5	0	0	0	113.7	R455 T456 A671 I672 Q673	R455-P669 HydrophobicContact CB-CB 4.46Å; R455-P669 HydrophobicContact CB-CG 4.12Å; T456-P669 HydrophobicContact CG2-CB 4.1Å; P669-A671 VanDerWaalsContact C-N 3.31Å; P669-A671 PolarHBondContact O-N 3.16Å; P669-I672 WeakPolarHBondContact O-CB 3.37Å; P669-I672 PolarHBondContact O-N 3.37Å; P669-I672 VanDerWaalsContact O-N 3.16Å; P669-Q673 WeakPolarHBondContact O-CG 3.48Å; P669-Q673 PolarHBondContact O-N 3.25Å
670	E	76	Confident	75.3	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-55.6	-40.2	172	54.9	-164	-156.9	0	0	113.2	L439 K440 R455 L457 T668 Q673 L674	L439-E670 WeakPolarHBondContact CA-OE1 3.45Å; L439-E670 HydrophobicContact CD2-CB 4.3Å; L439-E670 HydrophobicContact CD2-CG 4.41Å; L439-E670 WeakPolarHBondContact CD2-OE2 3.42Å; K440-E670 PolarHBondContact N-OE1 3.05Å; K440-E670 VanDerWaalsContact O-OE1 3.05Å; R455-E670 IonicContact CZ-OE1 2.62Å; R455-E670 IonicContact NE-OE1 2.89Å; R455-E670 IonicContact NH2-OE1 3.08Å; R455-E670 PolarHBondContact NH2-OE1 2.94Å; R455-E670 IonicContact NH2-OE2 3.81Å; R455-E670 WeakPolarHBondContact O-CB 3.22Å; R455-E670 PolarHBondContact O-N 2.73Å; L457-E670 HydrophobicContact CD2-CB 4.16Å; L457-E670 HydrophobicContact CG-CB 4.13Å; T668-E670 VanDerWaalsContact C-N 3.35Å; T668-E670 PolarHBondContact O-N 3.25Å; T668-E670 WeakPolarHBondContact OG1-CG 3.35Å; E670-Q673 PolarHBondContact O-N 3.31Å; E670-L674 WeakPolarHBondContact O-CG 3.46Å; E670-L674 PolarHBondContact O-N 2.99Å
671	A	77.4	Confident	75.8	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-70.6	-37.7	177.2	0	0	0	0	0	111.7	M392 P441 Y659 L667 T668 P669 Q673 L674	M392-A671 HydrophobicContact SD-CB 4.13Å; P441-A671 WeakPolarHBondContact O-CB 3.34Å; Y659-A671 WeakPolarHBondContact CE1-O 3.25Å; L667-A671 HydrophobicContact CB-CB 4.31Å; L667-A671 HydrophobicContact CD2-CB 4.2Å; T668-A671 WeakPolarHBondContact O-CB 3.43Å; T668-A671 PolarHBondContact O-N 3.04Å; T668-A671 VanDerWaalsContact OG1-CB 3.3Å; T668-A671 WeakPolarHBondContact OG1-CB 3.31Å; T668-A671 PolarHBondContact OG1-N 3.2Å; P669-A671 VanDerWaalsContact C-N 3.31Å; P669-A671 PolarHBondContact O-N 3.16Å; A671-Q673 VanDerWaalsContact C-N 3.33Å; A671-L674 WeakPolarHBondContact O-CB 3.13Å; A671-L674 PolarHBondContact O-N 2.76Å; A671-L674 VanDerWaalsContact O-N 3.15Å
672	I	73.9	Confident	76.8	Confident	42 Å²	42	49.7 Å²	49.7	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-39.6	174.5	-69.8	169.2	0	0	0	111	R664 L667 T668 P669 L674 E675	R664-I672 HydrophobicContact CG-CD1 4.24Å; R664-I672 HydrophobicContact CG-CG1 4.4Å; L667-I672 HydrophobicContact CB-CD1 4.23Å; L667-I672 HydrophobicContact CB-CG1 3.74Å; L667-I672 HydrophobicContact CD1-CG1 4.28Å; T668-I672 WeakPolarHBondContact O-CG1 3.36Å; T668-I672 PolarHBondContact O-N 2.86Å; P669-I672 WeakPolarHBondContact O-CB 3.37Å; P669-I672 PolarHBondContact O-N 3.37Å; P669-I672 VanDerWaalsContact O-N 3.16Å; I672-L674 PolarHBondContact O-N 2.93Å; I672-L674 VanDerWaalsContact O-N 3.16Å; I672-E675 WeakPolarHBondContact O-CB 3.19Å; I672-E675 PolarHBondContact O-N 3.06Å
673	Q	77.9	Confident	77.7	Confident	27 Å²	27	49.5 Å²	49.5	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-19	176.3	-72.3	174.4	-56.3	0	0	112.9	L457 P669 E670 A671 E675 S678 Y680 L681	L457-Q673 HydrophobicContact CD1-CB 3.89Å; P669-Q673 WeakPolarHBondContact O-CG 3.48Å; P669-Q673 PolarHBondContact O-N 3.25Å; E670-Q673 PolarHBondContact O-N 3.31Å; A671-Q673 VanDerWaalsContact C-N 3.33Å; Q673-E675 VanDerWaalsContact C-N 3.27Å; Q673-E675 PolarHBondContact O-N 2.62Å; Q673-S678 PolarHBondContact O-OG 3.24Å; Q673-Y680 HydrophobicContact CB-CD1 4.25Å; Q673-Y680 HydrophobicContact CB-CE1 4.41Å; Q673-L681 WeakPolarHBondContact O-CG 3.41Å
674	L	79.7	Confident	78.6	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.052	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.7	175.5	-62.5	172.9	0	0	0	114	M392 L457 A485 I488 G651 N652 Y659 E670 A671 I672 L681	M392-L674 HydrophobicContact SD-CD1 4.4Å; L457-L674 HydrophobicContact CD1-CD2 4.35Å; A485-L674 HydrophobicContact CB-CD1 3.71Å; A485-L674 HydrophobicContact CB-CD2 4.38Å; I488-L674 HydrophobicContact CB-CD2 4.27Å; I488-L674 HydrophobicContact CG1-CD2 4.04Å; I488-L674 HydrophobicContact CG2-CD2 4.17Å; G651-L674 WeakPolarHBondContact CA-O 3.39Å; N652-L674 PolarHBondContact N-O 2.94Å; Y659-L674 PolarHBondContact OH-O 3.23Å; E670-L674 WeakPolarHBondContact O-CG 3.46Å; E670-L674 PolarHBondContact O-N 2.99Å; A671-L674 WeakPolarHBondContact O-CB 3.13Å; A671-L674 PolarHBondContact O-N 2.76Å; A671-L674 VanDerWaalsContact O-N 3.15Å; I672-L674 PolarHBondContact O-N 2.93Å; I672-L674 VanDerWaalsContact O-N 3.16Å; L674-L681 HydrophobicContact CD2-CD2 4.47Å
675	E	77.2	Confident	79.4	Confident	47 Å²	47	40.6 Å²	40.6	22%	0.22	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-58.5	137.4	173.5	-177.4	166.2	-160.8	0	0	111.2	Y659 R664 I672 Q673 D677 S678 L681	Y659-E675 WeakPolarHBondContact CB-OE1 3.34Å; Y659-E675 HydrophobicContact CD1-CB 4.04Å; Y659-E675 HydrophobicContact CD1-CG 4.34Å; Y659-E675 HydrophobicContact CD2-CB 4.02Å; Y659-E675 HydrophobicContact CD2-CG 3.73Å; Y659-E675 HydrophobicContact CE1-CB 4.13Å; Y659-E675 HydrophobicContact CE2-CB 4.08Å; Y659-E675 HydrophobicContact CE2-CG 4.21Å; Y659-E675 HydrophobicContact CG-CB 4.01Å; Y659-E675 HydrophobicContact CG-CG 3.82Å; R664-E675 IonicContact CZ-OE2 3.71Å; R664-E675 IonicContact NH1-OE1 2.68Å; R664-E675 IonicContact NH1-OE2 3.23Å; R664-E675 PolarHBondContact NH1-OE2 2.94Å; R664-E675 IonicContact NH2-OE2 3.07Å; R664-E675 PolarHBondContact NH2-OE2 2.5Å; I672-E675 WeakPolarHBondContact O-CB 3.19Å; I672-E675 PolarHBondContact O-N 3.06Å; Q673-E675 VanDerWaalsContact C-N 3.27Å; Q673-E675 PolarHBondContact O-N 2.62Å; E675-D677 PolarHBondContact O-N 2.89Å; E675-S678 WeakPolarHBondContact O-CB 3.31Å; E675-S678 PolarHBondContact O-N 3.43Å; E675-S678 PolarHBondContact O-OG 2.78Å; E675-L681 WeakPolarHBondContact O-CD1 3.23Å
676	K	72.1	Confident	80.5	Confident	71 Å²	71	35.2 Å²	35.2	31%	0.309	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	138.5	-178.8	177.4	171.2	-175	-160.9	0	111.2	R650 Q653 S678	R650-K676 WeakPolarHBondContact O-CA 3.36Å; Q653-K676 HydrophobicContact CB-CD 3.54Å; Q653-K676 HydrophobicContact CG-CD 3.73Å; K676-S678 PolarHBondContact O-N 3.49Å; K676-S678 VanDerWaalsContact O-N 3.11Å
677	D	71.8	Confident	81.5	Confident	82 Å²	82	37.1 Å²	37.1	44%	0.439	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	25	177.3	-57.3	-37.8	0	0	0	112.9	R650 E675 N679 L682	R650-D677 PolarHBondContact O-N 2.95Å; E675-D677 PolarHBondContact O-N 2.89Å; D677-N679 PolarHBondContact O-N 2.83Å; D677-L682 HydrophobicContact CB-CD1 4.22Å
678	S	81.3	Confident	82.6	Confident	22 Å²	22	36.5 Å²	36.5	15%	0.154	19%	0.19	C	C	.	.			trans	-61.9	136.1	170	77.2	0	0	0	0	109.1	Q673 E675 K676 Y680 L681 L682	Q673-S678 PolarHBondContact O-OG 3.24Å; E675-S678 WeakPolarHBondContact O-CB 3.31Å; E675-S678 PolarHBondContact O-N 3.43Å; E675-S678 PolarHBondContact O-OG 2.78Å; K676-S678 PolarHBondContact O-N 3.49Å; K676-S678 VanDerWaalsContact O-N 3.11Å; S678-Y680 PolarHBondContact O-N 3.47Å; S678-L681 PolarHBondContact O-N 3.48Å; S678-L681 WeakPolarHBondContact OG-CG 3.29Å; S678-L681 PolarHBondContact OG-N 3.43Å; S678-L682 PolarHBondContact O-N 3.47Å
679	N	83.9	Confident	83.7	Confident	84 Å²	84	38.5 Å²	38.5	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-52.6	-35.2	178.7	-70.2	-29.9	0	0	0	111.4	W558 D677 D683	W558-N679 HydrophobicContact CZ2-CB 3.97Å; W558-N679 WeakPolarHBondContact CZ2-ND2 3.49Å; D677-N679 PolarHBondContact O-N 2.83Å; N679-D683 WeakPolarHBondContact O-CB 3.24Å; N679-D683 PolarHBondContact O-N 2.8Å
680	Y	85.2	Confident	84.6	Confident	43 Å²	43	40.8 Å²	40.8	17%	0.169	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-50.1	174.8	171.6	-95.8	0	0	0	113.1	L457 E492 R495 Q673 S678 L684	L457-Y680 HydrophobicContact CD1-CE1 3.81Å; E492-Y680 VanDerWaalsContact CD-OH 3.24Å; E492-Y680 WeakPolarHBondContact CG-OH 3.38Å; E492-Y680 PolarHBondContact OE2-OH 2.82Å; R495-Y680 VanDerWaalsContact NH2-CE2 3.31Å; Q673-Y680 HydrophobicContact CB-CD1 4.25Å; Q673-Y680 HydrophobicContact CB-CE1 4.41Å; S678-Y680 PolarHBondContact O-N 3.47Å; Y680-L684 HydrophobicContact CE1-CD2 4.16Å; Y680-L684 WeakPolarHBondContact O-CB 2.89Å; Y680-L684 PolarHBondContact O-N 3.32Å
681	L	87.7	Confident	85.5	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-70.4	-39.7	-178.6	-72.2	-179.8	0	0	0	112.4	I488 Q673 L674 E675 S678 L684 H685	I488-L681 HydrophobicContact CD1-CD2 4.31Å; I488-L681 HydrophobicContact CG1-CD2 4.45Å; I488-L681 HydrophobicContact CG2-CD2 3.6Å; Q673-L681 WeakPolarHBondContact O-CG 3.41Å; L674-L681 HydrophobicContact CD2-CD2 4.47Å; E675-L681 WeakPolarHBondContact O-CD1 3.23Å; S678-L681 PolarHBondContact O-N 3.48Å; S678-L681 WeakPolarHBondContact OG-CG 3.29Å; S678-L681 PolarHBondContact OG-N 3.43Å; L681-L684 PolarHBondContact O-N 2.83Å; L681-H685 WeakPolarHBondContact O-CB 3.48Å; L681-H685 PolarHBondContact O-N 3.27Å
682	L	88.8	Confident	86.4	Confident	57 Å²	57	41.2 Å²	41.2	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-64.7	-46	178.7	-65.7	178.8	0	0	0	110.8	R650 D677 S678 H685 V686	R650-L682 HydrophobicContact CB-CD2 4.19Å; R650-L682 HydrophobicContact CG-CD2 3.98Å; D677-L682 HydrophobicContact CB-CD1 4.22Å; S678-L682 PolarHBondContact O-N 3.47Å; L682-H685 PolarHBondContact O-N 3.49Å; L682-V686 VanDerWaalsContact O-CG2 3.32Å; L682-V686 WeakPolarHBondContact O-CG2 3.45Å; L682-V686 PolarHBondContact O-N 3.19Å
683	D	90.9	Very high	87.3	Confident	71 Å²	71	48.2 Å²	48.2	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-58.7	-51	173.5	175.6	60.8	0	0	0	111.6	R495 N679 H685 V686 W687	R495-D683 IonicContact CZ-OD2 3.54Å; R495-D683 IonicContact NH1-OD2 2.73Å; R495-D683 PolarHBondContact NH1-OD2 2.87Å; N679-D683 WeakPolarHBondContact O-CB 3.24Å; N679-D683 PolarHBondContact O-N 2.8Å; D683-H685 VanDerWaalsContact C-N 3.27Å; D683-H685 PolarHBondContact O-N 3.26Å; D683-V686 PolarHBondContact O-N 3.5Å; D683-W687 WeakPolarHBondContact O-CB 3.37Å; D683-W687 PolarHBondContact O-N 2.85Å
684	L	92.1	Very high	88.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-39.4	178.1	179.6	59	0	0	0	112.1	I488 K491 E492 R495 Y680 L681 W687 F688	I488-L684 HydrophobicContact CG2-CD2 3.91Å; K491-L684 HydrophobicContact CB-CD1 3.86Å; K491-L684 HydrophobicContact CB-CD2 4Å; K491-L684 HydrophobicContact CB-CG 3.87Å; E492-L684 HydrophobicContact CB-CD2 4.3Å; E492-L684 WeakPolarHBondContact OE2-CD1 3.44Å; R495-L684 HydrophobicContact CB-CD1 4.21Å; Y680-L684 HydrophobicContact CE1-CD2 4.16Å; Y680-L684 WeakPolarHBondContact O-CB 2.89Å; Y680-L684 PolarHBondContact O-N 3.32Å; L681-L684 PolarHBondContact O-N 2.83Å; L684-W687 HydrophobicContact CD1-CE3 4.37Å; L684-F688 VanDerWaalsContact O-CB 3.24Å; L684-F688 WeakPolarHBondContact O-CB 3.46Å; L684-F688 PolarHBondContact O-N 3.46Å
685	H	92.2	Very high	88.7	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.019	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-44.3	179.6	-178.2	27.6	0	0	0	112.6	K491 R650 L681 L682 D683 F688 N689 M728	K491-H685 PolarHBondContact NZ-ND1 2.83Å; K491-H685 VanDerWaalsContact NZ-ND1 3.13Å; R650-H685 VanDerWaalsContact CZ-CD2 3.48Å; R650-H685 PolarHBondContact NH2-CD2 3.3Å; R650-H685 PolarHBondContact NH2-NE2 2.95Å; L681-H685 WeakPolarHBondContact O-CB 3.48Å; L681-H685 PolarHBondContact O-N 3.27Å; L682-H685 PolarHBondContact O-N 3.49Å; D683-H685 VanDerWaalsContact C-N 3.27Å; D683-H685 PolarHBondContact O-N 3.26Å; H685-F688 PolarHBondContact O-N 3.48Å; H685-N689 VanDerWaalsContact CE1-CG 3.5Å; H685-N689 PolarHBondContact CE1-ND2 3.09Å; H685-N689 PolarHBondContact CE1-OD1 3.21Å; H685-N689 PolarHBondContact ND1-OD1 2.97Å; H685-N689 VanDerWaalsContact O-CG 3.32Å; H685-N689 PolarHBondContact O-N 3.14Å; H685-N689 PolarHBondContact O-OD1 3.23Å; H685-M728 PolarHBondContact CE1-SD 3.04Å
686	V	92	Very high	89.5	Confident	87 Å²	87	62.3 Å²	62.3	53%	0.527	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-48.5	176	170.2	0	0	0	0	110	L682 D683 F688 N689 L690	L682-V686 VanDerWaalsContact O-CG2 3.32Å; L682-V686 WeakPolarHBondContact O-CG2 3.45Å; L682-V686 PolarHBondContact O-N 3.19Å; D683-V686 PolarHBondContact O-N 3.5Å; V686-F688 VanDerWaalsContact C-N 3.33Å; V686-F688 PolarHBondContact O-N 3.21Å; V686-N689 PolarHBondContact O-N 2.94Å; V686-L690 HydrophobicContact CG1-CD1 4.23Å; V686-L690 PolarHBondContact O-N 2.87Å; V686-L690 VanDerWaalsContact O-N 3.16Å
687	W	94.4	Very high	90.6	Very high	55 Å²	55	59.5 Å²	59.5	21%	0.208	29%	0.291	C	S	.	.	H	α-helix	trans	-54.7	-49.6	175.2	175.9	87.9	0	0	0	111.3	L494 R495 N498 D683 L684 N689 L690 W691	L494-W687 VanDerWaalsContact C-CH2 3.48Å; L494-W687 HydrophobicContact CB-CH2 4.19Å; L494-W687 HydrophobicContact CB-CZ3 4.32Å; R495-W687 VanDerWaalsContact CA-CZ2 3.47Å; R495-W687 HydrophobicContact CB-CD2 3.96Å; R495-W687 HydrophobicContact CB-CE3 3.64Å; R495-W687 HydrophobicContact CB-CH2 3.77Å; R495-W687 HydrophobicContact CB-CZ2 4.01Å; R495-W687 HydrophobicContact CB-CZ3 3.54Å; R495-W687 HydrophobicContact CG-CD2 3.71Å; R495-W687 HydrophobicContact CG-CE3 3.92Å; R495-W687 HydrophobicContact CG-CG 4.25Å; R495-W687 HydrophobicContact CG-CH2 4.37Å; R495-W687 HydrophobicContact CG-CZ2 4.11Å; R495-W687 HydrophobicContact CG-CZ3 4.24Å; R495-W687 VanDerWaalsContact N-CH2 3.27Å; N498-W687 HydrophobicContact CB-CZ2 4.11Å; D683-W687 WeakPolarHBondContact O-CB 3.37Å; D683-W687 PolarHBondContact O-N 2.85Å; L684-W687 HydrophobicContact CD1-CE3 4.37Å; W687-N689 VanDerWaalsContact C-N 3.35Å; W687-N689 PolarHBondContact O-N 3.31Å; W687-L690 PolarHBondContact O-N 2.71Å; W687-W691 HydrophobicContact CD2-CB 4.4Å; W687-W691 HydrophobicContact CE3-CB 4.46Å; W687-W691 HydrophobicContact CH2-CB 3.82Å; W687-W691 AromaticContact CH2-CD1 3.74Å; W687-W691 AromaticContact CH2-CD2 3.79Å; W687-W691 HydrophobicContact CH2-CD2 3.79Å; W687-W691 HydrophobicContact CH2-CE3 4.38Å; W687-W691 AromaticContact CH2-CG 3.48Å; W687-W691 HydrophobicContact CH2-CG 3.48Å; W687-W691 VanDerWaalsContact CH2-CG 3.48Å; W687-W691 HydrophobicContact CZ2-CB 3.79Å; W687-W691 AromaticContact CZ2-CD1 3.57Å; W687-W691 HydrophobicContact CZ2-CD2 4.39Å; W687-W691 AromaticContact CZ2-CG 3.63Å; W687-W691 HydrophobicContact CZ2-CG 3.63Å; W687-W691 HydrophobicContact CZ3-CB 4.2Å; W687-W691 HydrophobicContact CZ3-CD2 4.4Å; W687-W691 HydrophobicContact CZ3-CG 4.21Å; W687-W691 VanDerWaalsContact O-CB 3.3Å; W687-W691 WeakPolarHBondContact O-CB 3.44Å; W687-W691 PolarHBondContact O-N 3.31Å
688	F	95.3	Very high	91.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-40.7	-177.7	178.1	-94.6	0	0	0	112.3	K491 L494 V642 F644 L684 H685 V686 W691 A692 I699 M728	K491-F688 HydrophobicContact CB-CB 4.47Å; K491-F688 HydrophobicContact CB-CD2 4.09Å; K491-F688 HydrophobicContact CB-CG 4.4Å; K491-F688 HydrophobicContact CD-CB 3.82Å; K491-F688 HydrophobicContact CD-CD1 4.02Å; K491-F688 HydrophobicContact CD-CD2 4.14Å; K491-F688 HydrophobicContact CD-CG 3.7Å; K491-F688 HydrophobicContact CG-CB 4.14Å; K491-F688 HydrophobicContact CG-CD1 4.27Å; K491-F688 HydrophobicContact CG-CD2 3.59Å; K491-F688 HydrophobicContact CG-CE2 4.01Å; K491-F688 HydrophobicContact CG-CG 3.72Å; L494-F688 HydrophobicContact CD1-CD2 4.48Å; L494-F688 HydrophobicContact CD1-CE2 3.84Å; V642-F688 HydrophobicContact CG2-CZ 4.27Å; F644-F688 AromaticContact CE2-CE1 3.71Å; F644-F688 HydrophobicContact CE2-CE1 3.71Å; F644-F688 AromaticContact CE2-CZ 3.82Å; F644-F688 HydrophobicContact CE2-CZ 3.82Å; F644-F688 AromaticContact CZ-CE1 3.8Å; F644-F688 HydrophobicContact CZ-CE1 3.8Å; F644-F688 HydrophobicContact CZ-CE2 4.35Å; F644-F688 AromaticContact CZ-CZ 3.63Å; F644-F688 HydrophobicContact CZ-CZ 3.63Å; L684-F688 VanDerWaalsContact O-CB 3.24Å; L684-F688 WeakPolarHBondContact O-CB 3.46Å; L684-F688 PolarHBondContact O-N 3.46Å; H685-F688 PolarHBondContact O-N 3.48Å; V686-F688 VanDerWaalsContact C-N 3.33Å; V686-F688 PolarHBondContact O-N 3.21Å; F688-W691 HydrophobicContact CD2-CE3 4.08Å; F688-W691 HydrophobicContact CD2-CZ3 4.39Å; F688-W691 HydrophobicContact CE2-CE3 4.04Å; F688-W691 AromaticContact CE2-CZ3 3.92Å; F688-W691 HydrophobicContact CE2-CZ3 3.92Å; F688-W691 PolarHBondContact O-N 2.68Å; F688-A692 HydrophobicContact CE1-CB 4.2Å; F688-A692 HydrophobicContact CZ-CB 4.32Å; F688-A692 WeakPolarHBondContact O-CB 3.15Å; F688-A692 PolarHBondContact O-N 2.98Å; F688-I699 HydrophobicContact CE1-CD1 3.66Å; F688-I699 HydrophobicContact CZ-CD1 4.15Å; F688-M728 HydrophobicContact CD1-CE 3.99Å; F688-M728 HydrophobicContact CE1-CE 3.65Å
689	N	93.3	Very high	92.5	Very high	41 Å²	41	58.7 Å²	58.7	22%	0.219	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-44.9	179.5	-72.2	1.8	0	0	0	111.3	H685 V686 W687 Y693 M728	H685-N689 VanDerWaalsContact CE1-CG 3.5Å; H685-N689 PolarHBondContact CE1-ND2 3.09Å; H685-N689 PolarHBondContact CE1-OD1 3.21Å; H685-N689 PolarHBondContact ND1-OD1 2.97Å; H685-N689 VanDerWaalsContact O-CG 3.32Å; H685-N689 PolarHBondContact O-N 3.14Å; H685-N689 PolarHBondContact O-OD1 3.23Å; V686-N689 PolarHBondContact O-N 2.94Å; W687-N689 VanDerWaalsContact C-N 3.35Å; W687-N689 PolarHBondContact O-N 3.31Å; N689-Y693 VanDerWaalsContact O-CB 3.32Å; N689-Y693 WeakPolarHBondContact O-CB 3.38Å; N689-Y693 PolarHBondContact O-N 2.89Å; N689-M728 WeakPolarHBondContact OD1-CG 3.17Å
690	L	93.8	Very high	93.1	Very high	106 Å²	106	54.7 Å²	54.7	56%	0.555	26%	0.261	S	S	*	.	H	α-helix	trans	-63.2	-45.6	176	-68.6	173.1	0	0	0	111.2	V686 W687 Y693 N694	V686-L690 HydrophobicContact CG1-CD1 4.23Å; V686-L690 PolarHBondContact O-N 2.87Å; V686-L690 VanDerWaalsContact O-N 3.16Å; W687-L690 PolarHBondContact O-N 2.71Å; L690-Y693 PolarHBondContact O-N 2.91Å; L690-N694 WeakPolarHBondContact O-CB 3.09Å; L690-N694 PolarHBondContact O-N 2.68Å; L690-N694 PolarHBondContact O-ND2 2.72Å
691	W	95.6	Very high	93.6	Very high	9 Å²	9	52.9 Å²	52.9	3%	0.034	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-49	178.5	175.2	85.6	0	0	0	111.7	L494 A636 T639 W687 F688 Y693 N694 H695 V697	L494-W691 HydrophobicContact CB-CH2 4.35Å; L494-W691 HydrophobicContact CB-CZ3 4.48Å; L494-W691 HydrophobicContact CD1-CH2 3.84Å; L494-W691 HydrophobicContact CD1-CZ3 3.75Å; L494-W691 HydrophobicContact CD2-CH2 3.89Å; L494-W691 HydrophobicContact CD2-CZ2 4.27Å; L494-W691 HydrophobicContact CG-CH2 4.24Å; A636-W691 HydrophobicContact CB-CZ2 3.99Å; A636-W691 WeakPolarHBondContact O-CZ2 3.43Å; T639-W691 HydrophobicContact CG2-CH2 4Å; W687-W691 HydrophobicContact CD2-CB 4.4Å; W687-W691 HydrophobicContact CE3-CB 4.46Å; W687-W691 HydrophobicContact CH2-CB 3.82Å; W687-W691 AromaticContact CH2-CD1 3.74Å; W687-W691 AromaticContact CH2-CD2 3.79Å; W687-W691 HydrophobicContact CH2-CD2 3.79Å; W687-W691 HydrophobicContact CH2-CE3 4.38Å; W687-W691 AromaticContact CH2-CG 3.48Å; W687-W691 HydrophobicContact CH2-CG 3.48Å; W687-W691 VanDerWaalsContact CH2-CG 3.48Å; W687-W691 HydrophobicContact CZ2-CB 3.79Å; W687-W691 AromaticContact CZ2-CD1 3.57Å; W687-W691 HydrophobicContact CZ2-CD2 4.39Å; W687-W691 AromaticContact CZ2-CG 3.63Å; W687-W691 HydrophobicContact CZ2-CG 3.63Å; W687-W691 HydrophobicContact CZ3-CB 4.2Å; W687-W691 HydrophobicContact CZ3-CD2 4.4Å; W687-W691 HydrophobicContact CZ3-CG 4.21Å; W687-W691 VanDerWaalsContact O-CB 3.3Å; W687-W691 WeakPolarHBondContact O-CB 3.44Å; W687-W691 PolarHBondContact O-N 3.31Å; F688-W691 HydrophobicContact CD2-CE3 4.08Å; F688-W691 HydrophobicContact CD2-CZ3 4.39Å; F688-W691 HydrophobicContact CE2-CE3 4.04Å; F688-W691 AromaticContact CE2-CZ3 3.92Å; F688-W691 HydrophobicContact CE2-CZ3 3.92Å; F688-W691 PolarHBondContact O-N 2.68Å; W691-Y693 PolarHBondContact O-N 3.39Å; W691-N694 PolarHBondContact O-N 2.87Å; W691-H695 AromaticContact CD1-CE1 3.3Å; W691-H695 AromaticContact CD1-ND1 3.4Å; W691-H695 AromaticContact CE2-ND1 3.82Å; W691-H695 AromaticContact CG-ND1 3.84Å; W691-H695 AromaticContact NE1-CE1 3.23Å; W691-H695 PolarHBondContact NE1-CE1 3.35Å; W691-H695 AromaticContact NE1-CG 3.87Å; W691-H695 AromaticContact NE1-ND1 3.37Å; W691-H695 PolarHBondContact NE1-ND1 3.19Å; W691-H695 AromaticContact NE1-NE2 3.65Å; W691-H695 WeakPolarHBondContact O-CB 3Å; W691-H695 PolarHBondContact O-N 3.34Å; W691-H695 PolarHBondContact O-ND1 2.84Å; W691-V697 HydrophobicContact CH2-CG2 3.79Å; W691-V697 HydrophobicContact CZ3-CB 4.47Å; W691-V697 HydrophobicContact CZ3-CG2 3.79Å
692	A	95.4	Very high	93.9	Very high	4 Å²	4	53 Å²	53	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-40.6	-179.1	0	0	0	0	0	112	F688 H695 K696 V697 I699	F688-A692 HydrophobicContact CE1-CB 4.2Å; F688-A692 HydrophobicContact CZ-CB 4.32Å; F688-A692 WeakPolarHBondContact O-CB 3.15Å; F688-A692 PolarHBondContact O-N 2.98Å; A692-H695 PolarHBondContact O-N 2.99Å; A692-K696 PolarHBondContact O-N 2.96Å; A692-V697 HydrophobicContact CB-CB 4.11Å; A692-V697 PolarHBondContact O-N 3.18Å; A692-I699 HydrophobicContact CB-CD1 3.82Å
693	Y	93.5	Very high	94.2	Very high	190 Å²	190	50.7 Å²	50.7	75%	0.745	24%	0.244	S	C	*	.	H	α-helix	trans	-60.1	-50.1	174	178.6	-97.6	0	0	0	111.5	N689 L690 W691 H695 K696	N689-Y693 VanDerWaalsContact O-CB 3.32Å; N689-Y693 WeakPolarHBondContact O-CB 3.38Å; N689-Y693 PolarHBondContact O-N 2.89Å; L690-Y693 PolarHBondContact O-N 2.91Å; W691-Y693 PolarHBondContact O-N 3.39Å; Y693-H695 VanDerWaalsContact C-N 3.31Å; Y693-H695 PolarHBondContact O-N 2.72Å; Y693-K696 PolarHBondContact O-N 2.92Å
694	N	93.9	Very high	94.2	Very high	114 Å²	114	47.6 Å²	47.6	61%	0.61	23%	0.228	S	C	*	.	H	α-helix	trans	-64.8	-34.1	-178.7	-70.8	-16.8	0	0	0	112.9	L690 W691	L690-N694 WeakPolarHBondContact O-CB 3.09Å; L690-N694 PolarHBondContact O-N 2.68Å; L690-N694 PolarHBondContact O-ND2 2.72Å; W691-N694 PolarHBondContact O-N 2.87Å
695	H	93.3	Very high	94.2	Very high	83 Å²	83	50.5 Å²	50.5	38%	0.384	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.2	179.7	-65.9	77	0	0	0	113.3	W691 A692 Y693 V697	W691-H695 AromaticContact CD1-CE1 3.3Å; W691-H695 AromaticContact CD1-ND1 3.4Å; W691-H695 AromaticContact CE2-ND1 3.82Å; W691-H695 AromaticContact CG-ND1 3.84Å; W691-H695 AromaticContact NE1-CE1 3.23Å; W691-H695 PolarHBondContact NE1-CE1 3.35Å; W691-H695 AromaticContact NE1-CG 3.87Å; W691-H695 AromaticContact NE1-ND1 3.37Å; W691-H695 PolarHBondContact NE1-ND1 3.19Å; W691-H695 AromaticContact NE1-NE2 3.65Å; W691-H695 WeakPolarHBondContact O-CB 3Å; W691-H695 PolarHBondContact O-N 3.34Å; W691-H695 PolarHBondContact O-ND1 2.84Å; A692-H695 PolarHBondContact O-N 2.99Å; Y693-H695 VanDerWaalsContact C-N 3.31Å; Y693-H695 PolarHBondContact O-N 2.72Å; H695-V697 HydrophobicContact CB-CG2 3.91Å; H695-V697 PolarHBondContact O-N 3.13Å
696	K	93.8	Very high	94.1	Very high	183 Å²	183	56.7 Å²	56.7	80%	0.796	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	34.3	-177.9	-56	177.7	-178.6	175.3	0	113.2	A692 Y693 Q698	A692-K696 PolarHBondContact O-N 2.96Å; Y693-K696 PolarHBondContact O-N 2.92Å; K696-Q698 PolarHBondContact O-N 3.45Å
697	V	95.5	Very high	94	Very high	12 Å²	12	56.3 Å²	56.3	7%	0.073	27%	0.269	C	S	.	.			trans	-70.1	125.3	178.1	176.6	0	0	0	0	108.9	T639 Q640 V642 W691 A692 H695 I699	T639-V697 HydrophobicContact CG2-CG1 4.21Å; T639-V697 HydrophobicContact CG2-CG2 4.42Å; Q640-V697 WeakPolarHBondContact O-CA 3.12Å; V642-V697 HydrophobicContact CG2-CG1 4.01Å; W691-V697 HydrophobicContact CH2-CG2 3.79Å; W691-V697 HydrophobicContact CZ3-CB 4.47Å; W691-V697 HydrophobicContact CZ3-CG2 3.79Å; A692-V697 HydrophobicContact CB-CB 4.11Å; A692-V697 PolarHBondContact O-N 3.18Å; H695-V697 HydrophobicContact CB-CG2 3.91Å; H695-V697 PolarHBondContact O-N 3.13Å; V697-I699 HydrophobicContact CG1-CG1 4.48Å
698	Q	95.9	Very high	93.7	Very high	78 Å²	78	53.7 Å²	53.7	36%	0.364	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.3	177.6	-65.2	-172.4	57.6	0	0	110.4	Q640 A641 V642 K696 F758 L762	Q640-Q698 PolarHBondContact O-N 3.27Å; A641-Q698 CarbonylContact C-O 3.46Å; A641-Q698 WeakPolarHBondContact CA-O 3.37Å; A641-Q698 HydrophobicContact CB-CB 4.33Å; V642-Q698 PolarHBondContact N-O 2.94Å; K696-Q698 PolarHBondContact O-N 3.45Å; Q698-F758 HydrophobicContact CB-CE2 3.96Å; Q698-F758 HydrophobicContact CB-CZ 3.83Å; Q698-L762 HydrophobicContact CB-CD2 3.95Å; Q698-L762 VanDerWaalsContact CD-CD2 3.41Å; Q698-L762 HydrophobicContact CG-CD2 4.15Å; Q698-L762 VanDerWaalsContact NE2-CD2 3.32Å
699	I	96.7	Very high	93.1	Very high	9 Å²	9	56.1 Å²	56.1	5%	0.046	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.8	-176.5	-61.9	166.2	0	0	0	110.6	V642 F644 F688 A692 V697 M728 K730	V642-I699 WeakPolarHBondContact O-CA 3.24Å; F644-I699 HydrophobicContact CD2-CG2 3.81Å; F644-I699 HydrophobicContact CE2-CG2 4.02Å; F688-I699 HydrophobicContact CE1-CD1 3.66Å; F688-I699 HydrophobicContact CZ-CD1 4.15Å; A692-I699 HydrophobicContact CB-CD1 3.82Å; V697-I699 HydrophobicContact CG1-CG1 4.48Å; I699-M728 WeakPolarHBondContact CB-O 3.39Å; I699-M728 HydrophobicContact CD1-CB 4.14Å; I699-M728 HydrophobicContact CD1-CE 4.12Å; I699-M728 WeakPolarHBondContact CD1-O 3.25Å; I699-M728 HydrophobicContact CG2-CB 4.18Å; I699-M728 HydrophobicContact CG2-CE 4.12Å; I699-K730 PolarHBondContact O-N 3.36Å
700	L	96.3	Very high	92.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.8	167.6	172.7	66.1	0	0	0	109.1	V642 V643 F644 M702 K730 V732 F758	V642-L700 PolarHBondContact O-N 3.3Å; V643-L700 CarbonylContact C-O 3.6Å; V643-L700 VanDerWaalsContact CA-O 3.27Å; V643-L700 WeakPolarHBondContact CA-O 3.46Å; V643-L700 HydrophobicContact CG1-CB 4.36Å; V643-L700 HydrophobicContact CG1-CD2 4.01Å; V643-L700 HydrophobicContact CG1-CG 4.24Å; V643-L700 HydrophobicContact CG2-CB 4.22Å; V643-L700 HydrophobicContact CG2-CD2 4.31Å; F644-L700 PolarHBondContact N-O 2.96Å; L700-M702 HydrophobicContact CD2-CE 4.13Å; L700-M702 HydrophobicContact CG-CG 4.47Å; L700-K730 CarbonylContact C-O 3.53Å; L700-K730 WeakPolarHBondContact CA-O 3.12Å; L700-K730 HydrophobicContact CD1-CB 4.13Å; L700-K730 HydrophobicContact CD1-CD 4.03Å; L700-K730 HydrophobicContact CD1-CG 3.97Å; L700-V732 HydrophobicContact CD1-CG2 3.77Å; L700-F758 HydrophobicContact CB-CD1 3.99Å; L700-F758 HydrophobicContact CB-CD2 3.88Å; L700-F758 HydrophobicContact CB-CE1 4Å; L700-F758 HydrophobicContact CB-CE2 3.91Å; L700-F758 HydrophobicContact CB-CG 3.91Å; L700-F758 HydrophobicContact CB-CZ 3.96Å; L700-F758 HydrophobicContact CD2-CB 3.82Å; L700-F758 HydrophobicContact CD2-CD1 4.21Å; L700-F758 HydrophobicContact CD2-CG 3.97Å
701	S	95.6	Very high	91.6	Very high	5 Å²	5	56.1 Å²	56.1	4%	0.035	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.4	172.7	-61.6	0	0	0	0	109.7	F644 K730 L731 V732	F644-S701 CarbonylContact O-C 3.56Å; S701-K730 PolarHBondContact N-O 2.69Å; S701-L731 CarbonylContact O-C 3.57Å; S701-L731 WeakPolarHBondContact O-CA 3.48Å; S701-V732 PolarHBondContact O-N 3.33Å
702	M	94.9	Very high	90.8	Very high	3 Å²	3	66 Å²	66	2%	0.015	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.4	173.5	-76.5	-178.4	-86.9	0	0	109.2	V643 F644 M645 S646 L700 V732 I734 I741 I755	V643-M702 HydrophobicContact CG1-CE 3.13Å; F644-M702 PolarHBondContact O-N 3.37Å; M645-M702 HydrophobicContact CE-CE 3.82Å; M645-M702 HydrophobicContact CE-SD 4.01Å; M645-M702 HydrophobicContact CG-CE 3.45Å; M645-M702 VanDerWaalsContact CG-CE 3.45Å; M645-M702 HydrophobicContact CG-SD 4.43Å; M645-M702 HydrophobicContact SD-CE 3.97Å; S646-M702 PolarHBondContact N-O 3.35Å; L700-M702 HydrophobicContact CD2-CE 4.13Å; L700-M702 HydrophobicContact CG-CG 4.47Å; M702-V732 VanDerWaalsContact CA-O 3.28Å; M702-V732 WeakPolarHBondContact CA-O 3.23Å; M702-V732 HydrophobicContact CG-CB 4.37Å; M702-I734 HydrophobicContact CB-CG1 4.01Å; M702-I734 HydrophobicContact CG-CD1 4.33Å; M702-I734 HydrophobicContact CG-CG1 4.06Å; M702-I734 HydrophobicContact SD-CD1 4.22Å; M702-I734 HydrophobicContact SD-CG1 4.17Å; M702-I741 HydrophobicContact CB-CD1 4.19Å; M702-I755 HydrophobicContact CE-CD1 3.86Å; M702-I755 HydrophobicContact CE-CG1 3.56Å; M702-I755 HydrophobicContact SD-CG1 4.43Å
703	A	93.3	Very high	89.9	Confident	10 Å²	10	73.4 Å²	73.4	8%	0.083	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.6	-179.8	0	0	0	0	0	110.8	E721 L731 V732 I734	A703-E721 HydrophobicContact CB-CB 4.38Å; A703-L731 HydrophobicContact CB-CD1 4.13Å; A703-V732 PolarHBondContact N-O 2.82Å; A703-I734 PolarHBondContact O-N 2.6Å
704	E	92.5	Very high	88.9	Confident	6 Å²	6	69.2 Å²	69.2	3%	0.028	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	146.1	169.3	62.6	-164.7	-142.7	0	0	111.4	S646 L717 I718 V719 S736 H738 I741	S646-E704 WeakPolarHBondContact CB-OE2 3.43Å; S646-E704 WeakPolarHBondContact OG-CB 3.2Å; S646-E704 PolarHBondContact OG-OE2 3.08Å; E704-L717 HydrophobicContact CG-CD1 3.76Å; E704-I718 PolarHBondContact OE1-N 3.24Å; E704-V719 PolarHBondContact OE1-N 2.82Å; E704-S736 WeakPolarHBondContact CB-O 3.45Å; E704-H738 IonicContact OE1-ND1 3.93Å; E704-H738 WeakPolarHBondContact OE2-CA 3.48Å; E704-H738 WeakPolarHBondContact OE2-CB 3.41Å; E704-H738 IonicContact OE2-CE1 3.77Å; E704-H738 IonicContact OE2-CG 3.26Å; E704-H738 VanDerWaalsContact OE2-CG 3.23Å; E704-H738 PolarHBondContact OE2-N 3.46Å; E704-H738 IonicContact OE2-ND1 2.82Å; E704-H738 PolarHBondContact OE2-ND1 2.94Å; E704-I741 HydrophobicContact CB-CD1 4.28Å
705	S	90.3	Very high	88.3	Confident	62 Å²	62	66.9 Å²	66.9	43%	0.434	32%	0.319	S	S	.	.			trans	-110.4	-18.7	175.2	68.7	0	0	0	0	113.3	I734 D735 S736	S705-I734 PolarHBondContact N-O 3.25Å; S705-I734 PolarHBondContact OG-O 2.91Å; S705-D735 WeakPolarHBondContact OG-CA 3.16Å; S705-D735 PolarHBondContact OG-OD1 3.19Å; S705-D735 VanDerWaalsContact OG-OD1 3.13Å; S705-S736 PolarHBondContact N-O 3.18Å
706	R	91.2	Very high	87.7	Confident	133 Å²	133	63.7 Å²	63.7	50%	0.502	31%	0.305	S	S	.	.	S	Bend	trans	-105.4	146	-174.4	-59.3	-176.2	179	-174.6	0.3	111.5	L717 D735 S736 D737	R706-L717 WeakPolarHBondContact O-CD1 3.25Å; R706-D735 IonicContact CZ-OD1 3.5Å; R706-D735 IonicContact CZ-OD2 3.41Å; R706-D735 IonicContact NE-OD1 3.6Å; R706-D735 PolarHBondContact NE-OD1 3.14Å; R706-D735 IonicContact NE-OD2 3.45Å; R706-D735 VanDerWaalsContact NH2-CG 3.3Å; R706-D735 IonicContact NH2-OD1 2.68Å; R706-D735 PolarHBondContact NH2-OD1 2.77Å; R706-D735 IonicContact NH2-OD2 3.82Å; R706-D735 PolarHBondContact NH2-OD2 2.97Å; R706-S736 PolarHBondContact N-O 2.67Å; R706-D737 HydrophobicContact CB-CB 4.22Å
707	V	89.2	Confident	87.3	Confident	80 Å²	80	57.2 Å²	57.2	49%	0.485	28%	0.279	S	S	.	.			trans	-68	137.1	172.7	-63.3	0	0	0	0	110.6	L717	V707-L717 HydrophobicContact CG1-CB 4.23Å
708	T	87.6	Confident	86.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.4	173.5	-59.6	0	0	0	0	110.2	I710 S715 V716 I718 H738 L739	T708-I710 HydrophobicContact CG2-CD1 4.03Å; T708-I710 PolarHBondContact O-N 3.31Å; T708-S715 CarbonylContact O-C 3.23Å; T708-S715 VanDerWaalsContact O-CA 3.28Å; T708-S715 WeakPolarHBondContact O-CA 3.34Å; T708-V716 PolarHBondContact N-O 3.12Å; T708-V716 PolarHBondContact O-N 3.33Å; T708-I718 HydrophobicContact CG2-CD1 4.11Å; T708-H738 WeakPolarHBondContact OG1-CB 3.37Å; T708-H738 PolarHBondContact OG1-N 3.06Å; T708-L739 HydrophobicContact CG2-CD1 3.48Å; T708-L739 VanDerWaalsContact CG2-CD1 3.48Å; T708-L739 HydrophobicContact CG2-CG 3.66Å
709	P	84.2	Confident	85.9	Confident	50 Å²	50	54.6 Å²	54.6	33%	0.325	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	107.3	172.7	29.5	-32.2	0	0	0	109.8
710	I	78.9	Confident	85	Confident	76 Å²	76	57 Å²	57	39%	0.39	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-36.3	179.8	-57.5	-64.4	0	0	0	110.5	T708 W714 I718	T708-I710 HydrophobicContact CG2-CD1 4.03Å; T708-I710 PolarHBondContact O-N 3.31Å; I710-W714 HydrophobicContact CB-CE3 3.45Å; I710-W714 VanDerWaalsContact CB-CE3 3.45Å; I710-W714 HydrophobicContact CB-CZ3 3.81Å; I710-W714 HydrophobicContact CG1-CE3 3.58Å; I710-W714 HydrophobicContact CG1-CZ3 3.5Å; I710-W714 VanDerWaalsContact CG1-CZ3 3.5Å; I710-W714 HydrophobicContact CG2-CE3 3.67Å; I710-W714 HydrophobicContact CG2-CZ3 3.8Å; I710-W714 PolarHBondContact N-O 3.26Å; I710-I718 HydrophobicContact CD1-CD1 4.05Å
711	N	76.1	Confident	84.3	Confident	72 Å²	72	59.7 Å²	59.7	39%	0.385	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	178.1	168.7	66.3	50.8	0	0	0	109.6	F713 W714	N711-F713 PolarHBondContact O-N 2.92Å; N711-F713 WeakPolarHBondContact OD1-CA 3.23Å; N711-F713 PolarHBondContact OD1-N 3.27Å; N711-W714 PolarHBondContact N-O 3.05Å; N711-W714 PolarHBondContact O-N 3.29Å; N711-W714 WeakPolarHBondContact OD1-CB 3.48Å; N711-W714 PolarHBondContact OD1-N 2.9Å
712	R	78.3	Confident	83.6	Confident	216 Å²	216	61.7 Å²	61.7	82%	0.815	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.6	-178.2	176.3	176	157.7	134.3	0.9	114.6
713	F	76.5	Confident	82.7	Confident	160 Å²	160	66.5 Å²	66.5	70%	0.702	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-3.4	-172.9	-53.5	-71.8	0	0	0	113.5	N711	N711-F713 PolarHBondContact O-N 2.92Å; N711-F713 WeakPolarHBondContact OD1-CA 3.23Å; N711-F713 PolarHBondContact OD1-N 3.27Å
714	W	72.7	Confident	82	Confident	102 Å²	102	71.2 Å²	71.2	39%	0.386	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	114.2	-171.1	-165	63	0	0	0	110.8	S654 V655 I710 N711 V716	S654-W714 WeakPolarHBondContact O-CZ2 3.2Å; V655-W714 HydrophobicContact CG1-CH2 4.19Å; I710-W714 HydrophobicContact CB-CE3 3.45Å; I710-W714 VanDerWaalsContact CB-CE3 3.45Å; I710-W714 HydrophobicContact CB-CZ3 3.81Å; I710-W714 HydrophobicContact CG1-CE3 3.58Å; I710-W714 HydrophobicContact CG1-CZ3 3.5Å; I710-W714 VanDerWaalsContact CG1-CZ3 3.5Å; I710-W714 HydrophobicContact CG2-CE3 3.67Å; I710-W714 HydrophobicContact CG2-CZ3 3.8Å; I710-W714 PolarHBondContact N-O 3.26Å; N711-W714 PolarHBondContact N-O 3.05Å; N711-W714 PolarHBondContact O-N 3.29Å; N711-W714 WeakPolarHBondContact OD1-CB 3.48Å; N711-W714 PolarHBondContact OD1-N 2.9Å; W714-V716 HydrophobicContact CD2-CG2 3.97Å; W714-V716 HydrophobicContact CE3-CG2 4.46Å; W714-V716 HydrophobicContact CH2-CB 4.08Å; W714-V716 HydrophobicContact CH2-CG1 4.29Å; W714-V716 HydrophobicContact CH2-CG2 3.67Å; W714-V716 HydrophobicContact CZ2-CB 4.07Å; W714-V716 HydrophobicContact CZ2-CG1 4.47Å; W714-V716 HydrophobicContact CZ2-CG2 3.16Å; W714-V716 HydrophobicContact CZ3-CB 4.49Å; W714-V716 HydrophobicContact CZ3-CG2 4.31Å
715	S	80.9	Confident	81.4	Confident	64 Å²	64	71.7 Å²	71.7	45%	0.448	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.7	172.5	-59.4	0	0	0	0	109.2	T708	T708-S715 CarbonylContact O-C 3.23Å; T708-S715 VanDerWaalsContact O-CA 3.28Å; T708-S715 WeakPolarHBondContact O-CA 3.34Å
716	V	81.4	Confident	81	Confident	17 Å²	17	75 Å²	75	10%	0.103	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	137.9	-172.9	151.8	0	0	0	0	111.9	T708 W714 I718	T708-V716 PolarHBondContact N-O 3.12Å; T708-V716 PolarHBondContact O-N 3.33Å; W714-V716 HydrophobicContact CD2-CG2 3.97Å; W714-V716 HydrophobicContact CE3-CG2 4.46Å; W714-V716 HydrophobicContact CH2-CB 4.08Å; W714-V716 HydrophobicContact CH2-CG1 4.29Å; W714-V716 HydrophobicContact CH2-CG2 3.67Å; W714-V716 HydrophobicContact CZ2-CB 4.07Å; W714-V716 HydrophobicContact CZ2-CG1 4.47Å; W714-V716 HydrophobicContact CZ2-CG2 3.16Å; W714-V716 HydrophobicContact CZ3-CB 4.49Å; W714-V716 HydrophobicContact CZ3-CG2 4.31Å; V716-I718 HydrophobicContact CG1-CG1 4.25Å; V716-I718 PolarHBondContact O-N 3.29Å
717	L	84.7	Confident	80.5	Confident	47 Å²	47	75.7 Å²	75.7	25%	0.246	37%	0.369	C	S	.	.			trans	-74.3	108.1	163.4	-168	67.7	0	0	0	107.6	S654 E704 R706 V707 P720	S654-L717 WeakPolarHBondContact CB-O 3.44Å; S654-L717 PolarHBondContact OG-O 3.22Å; E704-L717 HydrophobicContact CG-CD1 3.76Å; R706-L717 WeakPolarHBondContact O-CD1 3.25Å; V707-L717 HydrophobicContact CG1-CB 4.23Å; L717-P720 HydrophobicContact CD2-CB 4.08Å; L717-P720 HydrophobicContact CD2-CG 4.26Å
718	I	80.7	Confident	80.3	Confident	21 Å²	21	72.9 Å²	72.9	11%	0.108	35%	0.351	C	S	.	.	S	Bend	trans	-73.3	-41.3	-170.6	-69.5	175.5	0	0	0	109.5	N652 E704 T708 I710 V716 H738	N652-I718 WeakPolarHBondContact ND2-CG2 3.03Å; N652-I718 PolarHBondContact OD1-O 3.45Å; E704-I718 PolarHBondContact OE1-N 3.24Å; T708-I718 HydrophobicContact CG2-CD1 4.11Å; I710-I718 HydrophobicContact CD1-CD1 4.05Å; V716-I718 HydrophobicContact CG1-CG1 4.25Å; V716-I718 PolarHBondContact O-N 3.29Å; I718-H738 HydrophobicContact CB-CB 4.04Å; I718-H738 HydrophobicContact CD1-CB 3.52Å; I718-H738 HydrophobicContact CG1-CB 4.12Å
719	V	82.6	Confident	80.4	Confident	14 Å²	14	74.4 Å²	74.4	9%	0.085	37%	0.367	C	S	.	.	S	Bend	trans	-126.7	92	177.7	-172.7	0	0	0	0	109.4	S646 P648 E704	S646-V719 VanDerWaalsContact O-CG2 3.3Å; S646-V719 WeakPolarHBondContact O-CG2 3.31Å; P648-V719 HydrophobicContact CB-CG1 4.49Å; P648-V719 HydrophobicContact CB-CG2 3.87Å; P648-V719 HydrophobicContact CG-CG2 4.4Å; E704-V719 PolarHBondContact OE1-N 2.82Å
720	P	77.9	Confident	80.8	Confident	60 Å²	60	77.2 Å²	77.2	39%	0.39	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-58.3	141.9	169	-20.4	32.4	0	0	0	110.7	L717 D722	L717-P720 HydrophobicContact CD2-CB 4.08Å; L717-P720 HydrophobicContact CD2-CG 4.26Å; P720-D722 PolarHBondContact O-N 3.45Å
721	E	80.9	Confident	81.5	Confident	56 Å²	56	75.6 Å²	75.6	26%	0.262	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-59.5	121.6	171.3	-179.5	-173.6	163	0	0	109.6	A703 R726 L731 R733	A703-E721 HydrophobicContact CB-CB 4.38Å; E721-R726 IonicContact OE1-CZ 3.48Å; E721-R726 IonicContact OE1-NE 2.76Å; E721-R726 IonicContact OE1-NH2 3.42Å; E721-R726 PolarHBondContact OE1-NH2 3.35Å; E721-L731 HydrophobicContact CG-CD2 3.98Å; E721-L731 VanDerWaalsContact OE1-CD2 3.3Å; E721-L731 WeakPolarHBondContact OE1-CD2 3.31Å; E721-R733 IonicContact OE1-CZ 3Å; E721-R733 IonicContact OE1-NE 3.54Å; E721-R733 PolarHBondContact OE1-NE 2.88Å; E721-R733 IonicContact OE1-NH2 2.7Å; E721-R733 PolarHBondContact OE1-NH2 2.86Å; E721-R733 IonicContact OE2-CZ 3.5Å; E721-R733 IonicContact OE2-NE 3.73Å; E721-R733 PolarHBondContact OE2-NE 3.41Å; E721-R733 IonicContact OE2-NH2 3.96Å; E721-R733 PolarHBondContact OE2-NH2 3.03Å
722	D	80.5	Confident	82.4	Confident	46 Å²	46	73.2 Å²	73.2	25%	0.246	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-91.4	129.4	167.3	-169.6	-19.8	0	0	0	108.7	R650 P720 K724 D725	R650-D722 VanDerWaalsContact CD-OD2 3.28Å; R650-D722 WeakPolarHBondContact CD-OD2 3.47Å; R650-D722 IonicContact CZ-OD2 3.7Å; R650-D722 VanDerWaalsContact CZ-OD2 3.28Å; R650-D722 IonicContact NE-OD2 2.72Å; R650-D722 PolarHBondContact NE-OD2 3.46Å; R650-D722 IonicContact NH1-OD2 3.23Å; R650-D722 PolarHBondContact NH1-OD2 3.36Å; P720-D722 PolarHBondContact O-N 3.45Å; D722-K724 PolarHBondContact O-N 3.25Å; D722-K724 VanDerWaalsContact O-N 3.13Å; D722-K724 WeakPolarHBondContact OD1-CB 3.36Å; D722-K724 PolarHBondContact OD1-N 2.93Å; D722-D725 WeakPolarHBondContact O-CB 3.38Å; D722-D725 PolarHBondContact O-N 3.49Å
723	V	76	Confident	83.1	Confident	105 Å²	105	69.8 Å²	69.8	64%	0.636	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-55.7	-32.5	176.9	-176.9	0	0	0	0	110.7	D725 R726	V723-D725 PolarHBondContact O-N 3Å; V723-R726 WeakPolarHBondContact O-CB 3.33Å; V723-R726 WeakPolarHBondContact O-CG 3.28Å; V723-R726 PolarHBondContact O-N 3Å
724	K	79.7	Confident	83.9	Confident	109 Å²	109	62.4 Å²	62.4	47%	0.474	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-69.5	-17.6	178.8	-62.3	-179.5	178.2	-178.6	0	113.6	D722 R726 E727	D722-K724 PolarHBondContact O-N 3.25Å; D722-K724 VanDerWaalsContact O-N 3.13Å; D722-K724 WeakPolarHBondContact OD1-CB 3.36Å; D722-K724 PolarHBondContact OD1-N 2.93Å; K724-R726 PolarHBondContact O-N 3.46Å; K724-E727 VanDerWaalsContact O-CB 3.28Å; K724-E727 WeakPolarHBondContact O-CB 3.34Å; K724-E727 WeakPolarHBondContact O-CG 3.28Å; K724-E727 PolarHBondContact O-N 3Å; K724-E727 VanDerWaalsContact O-N 3.09Å
725	D	78.8	Confident	84.9	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.08	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-70.1	-19	178.4	-64.5	-15.6	0	0	0	111.8	H649 R650 D722 V723 E727 M728	H649-D725 IonicContact CD2-OD1 2.69Å; H649-D725 IonicContact CD2-OD2 2.99Å; R650-D725 IonicContact NH1-OD1 3.74Å; R650-D725 PolarHBondContact NH1-OD1 3.34Å; D722-D725 WeakPolarHBondContact O-CB 3.38Å; D722-D725 PolarHBondContact O-N 3.49Å; V723-D725 PolarHBondContact O-N 3Å; D725-E727 PolarHBondContact O-N 3.42Å; D725-M728 PolarHBondContact O-N 3.37Å
726	R	81.5	Confident	85.5	Confident	131 Å²	131	60.3 Å²	60.3	49%	0.494	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-64.6	-21.9	171.1	-62.9	-179.1	-177.6	-168	-0.1	113.2	E721 V723 K724 M728 L731	E721-R726 IonicContact OE1-CZ 3.48Å; E721-R726 IonicContact OE1-NE 2.76Å; E721-R726 IonicContact OE1-NH2 3.42Å; E721-R726 PolarHBondContact OE1-NH2 3.35Å; V723-R726 WeakPolarHBondContact O-CB 3.33Å; V723-R726 WeakPolarHBondContact O-CG 3.28Å; V723-R726 PolarHBondContact O-N 3Å; K724-R726 PolarHBondContact O-N 3.46Å; R726-M728 VanDerWaalsContact C-N 3.25Å; R726-M728 PolarHBondContact O-N 3Å; R726-L731 HydrophobicContact CG-CB 4.28Å; R726-L731 HydrophobicContact CG-CD2 3.56Å
727	E	81.4	Confident	86	Confident	148 Å²	148	60.4 Å²	60.4	69%	0.692	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-73.8	-20.5	179.7	-59.2	173	-177.5	0	0	111.7	K724 D725	K724-E727 VanDerWaalsContact O-CB 3.28Å; K724-E727 WeakPolarHBondContact O-CB 3.34Å; K724-E727 WeakPolarHBondContact O-CG 3.28Å; K724-E727 PolarHBondContact O-N 3Å; K724-E727 VanDerWaalsContact O-N 3.09Å; D725-E727 PolarHBondContact O-N 3.42Å
728	M	85.3	Confident	86.3	Confident	21 Å²	21	58.8 Å²	58.8	10%	0.103	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-31.1	-179.4	-65.9	177.3	54.9	0	0	113.1	F644 H685 F688 N689 I699 D725 R726	F644-M728 HydrophobicContact CD2-CE 3.82Å; F644-M728 HydrophobicContact CE2-CE 3.46Å; F644-M728 VanDerWaalsContact CE2-CE 3.46Å; F644-M728 HydrophobicContact CZ-CE 4.36Å; H685-M728 PolarHBondContact CE1-SD 3.04Å; F688-M728 HydrophobicContact CD1-CE 3.99Å; F688-M728 HydrophobicContact CE1-CE 3.65Å; N689-M728 WeakPolarHBondContact OD1-CG 3.17Å; I699-M728 WeakPolarHBondContact CB-O 3.39Å; I699-M728 HydrophobicContact CD1-CB 4.14Å; I699-M728 HydrophobicContact CD1-CE 4.12Å; I699-M728 WeakPolarHBondContact CD1-O 3.25Å; I699-M728 HydrophobicContact CG2-CB 4.18Å; I699-M728 HydrophobicContact CG2-CE 4.12Å; D725-M728 PolarHBondContact O-N 3.37Å; R726-M728 VanDerWaalsContact C-N 3.25Å; R726-M728 PolarHBondContact O-N 3Å
729	G	89.5	Confident	86.7	Confident	32 Å²	32	60.1 Å²	60.1	33%	0.33	30%	0.299	S	S	.	.	S	Bend	trans	163	-151.1	-172.8	0	0	0	0	0	113.3	L731	G729-L731 PolarHBondContact O-N 3.34Å
730	K	93.1	Very high	87.2	Confident	110 Å²	110	61.2 Å²	61.2	48%	0.478	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.8	-178.4	-177.1	176.3	176.7	-175.5	0	109.7	I699 L700 S701 V732	I699-K730 PolarHBondContact O-N 3.36Å; L700-K730 CarbonylContact C-O 3.53Å; L700-K730 WeakPolarHBondContact CA-O 3.12Å; L700-K730 HydrophobicContact CD1-CB 4.13Å; L700-K730 HydrophobicContact CD1-CD 4.03Å; L700-K730 HydrophobicContact CD1-CG 3.97Å; S701-K730 PolarHBondContact N-O 2.69Å; K730-V732 HydrophobicContact CG-CG2 4.31Å
731	L	93.6	Very high	87.9	Confident	41 Å²	41	58.4 Å²	58.4	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.4	173.4	-179.3	66.9	0	0	0	110.4	S701 A703 E721 R726 G729	S701-L731 CarbonylContact O-C 3.57Å; S701-L731 WeakPolarHBondContact O-CA 3.48Å; A703-L731 HydrophobicContact CB-CD1 4.13Å; E721-L731 HydrophobicContact CG-CD2 3.98Å; E721-L731 VanDerWaalsContact OE1-CD2 3.3Å; E721-L731 WeakPolarHBondContact OE1-CD2 3.31Å; R726-L731 HydrophobicContact CG-CB 4.28Å; R726-L731 HydrophobicContact CG-CD2 3.56Å; G729-L731 PolarHBondContact O-N 3.34Å
732	V	93.7	Very high	88.6	Confident	22 Å²	22	55.8 Å²	55.8	13%	0.133	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.4	173.7	-177.5	0	0	0	0	108.9	L700 S701 M702 A703 K730 I734 L750	L700-V732 HydrophobicContact CD1-CG2 3.77Å; S701-V732 PolarHBondContact O-N 3.33Å; M702-V732 VanDerWaalsContact CA-O 3.28Å; M702-V732 WeakPolarHBondContact CA-O 3.23Å; M702-V732 HydrophobicContact CG-CB 4.37Å; A703-V732 PolarHBondContact N-O 2.82Å; K730-V732 HydrophobicContact CG-CG2 4.31Å; V732-I734 HydrophobicContact CG1-CD1 3.73Å; V732-L750 HydrophobicContact CG1-CD2 4.22Å; V732-L750 HydrophobicContact CG1-CG 4.32Å
733	R	93.8	Very high	89.4	Confident	144 Å²	144	54.3 Å²	54.3	54%	0.543	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.3	171.9	-67.7	172.2	178	157.4	-7.9	108.9	E721	E721-R733 IonicContact OE1-CZ 3Å; E721-R733 IonicContact OE1-NE 3.54Å; E721-R733 PolarHBondContact OE1-NE 2.88Å; E721-R733 IonicContact OE1-NH2 2.7Å; E721-R733 PolarHBondContact OE1-NH2 2.86Å; E721-R733 IonicContact OE2-CZ 3.5Å; E721-R733 IonicContact OE2-NE 3.73Å; E721-R733 PolarHBondContact OE2-NE 3.41Å; E721-R733 IonicContact OE2-NH2 3.96Å; E721-R733 PolarHBondContact OE2-NH2 3.03Å
734	I	94.1	Very high	90.3	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.2	178.2	-55	-60.2	0	0	0	108.1	M702 A703 S705 V732 S736 I741 L750	M702-I734 HydrophobicContact CB-CG1 4.01Å; M702-I734 HydrophobicContact CG-CD1 4.33Å; M702-I734 HydrophobicContact CG-CG1 4.06Å; M702-I734 HydrophobicContact SD-CD1 4.22Å; M702-I734 HydrophobicContact SD-CG1 4.17Å; A703-I734 PolarHBondContact O-N 2.6Å; S705-I734 PolarHBondContact N-O 3.25Å; S705-I734 PolarHBondContact OG-O 2.91Å; V732-I734 HydrophobicContact CG1-CD1 3.73Å; I734-S736 PolarHBondContact O-N 2.9Å; I734-I741 HydrophobicContact CB-CD1 4.14Å; I734-I741 HydrophobicContact CB-CG1 4.02Å; I734-I741 HydrophobicContact CG1-CD1 4.26Å; I734-I741 HydrophobicContact CG1-CG1 4.23Å; I734-I741 HydrophobicContact CG2-CG1 4.08Å; I734-L750 HydrophobicContact CD1-CB 4.27Å; I734-L750 HydrophobicContact CD1-CD2 3.92Å; I734-L750 HydrophobicContact CD1-CG 3.78Å
735	D	93.6	Very high	90.9	Very high	104 Å²	104	48 Å²	48	56%	0.556	23%	0.229	S	C	*	.	S	Bend	trans	-76.3	63.6	178.7	-169.7	27.9	0	0	0	112.5	S705 R706	S705-D735 WeakPolarHBondContact OG-CA 3.16Å; S705-D735 PolarHBondContact OG-OD1 3.19Å; S705-D735 VanDerWaalsContact OG-OD1 3.13Å; R706-D735 IonicContact CZ-OD1 3.5Å; R706-D735 IonicContact CZ-OD2 3.41Å; R706-D735 IonicContact NE-OD1 3.6Å; R706-D735 PolarHBondContact NE-OD1 3.14Å; R706-D735 IonicContact NE-OD2 3.45Å; R706-D735 VanDerWaalsContact NH2-CG 3.3Å; R706-D735 IonicContact NH2-OD1 2.68Å; R706-D735 PolarHBondContact NH2-OD1 2.77Å; R706-D735 IonicContact NH2-OD2 3.82Å; R706-D735 PolarHBondContact NH2-OD2 2.97Å
736	S	92.5	Very high	91.6	Very high	18 Å²	18	50 Å²	50	13%	0.126	24%	0.24	C	C	.	.	S	Bend	trans	-147.3	168.6	-175.6	-162.3	0	0	0	0	110.5	E704 S705 R706 I734 Y740 I741	E704-S736 WeakPolarHBondContact CB-O 3.45Å; S705-S736 PolarHBondContact N-O 3.18Å; R706-S736 PolarHBondContact N-O 2.67Å; I734-S736 PolarHBondContact O-N 2.9Å; S736-Y740 WeakPolarHBondContact OG-CB 3.35Å; S736-Y740 PolarHBondContact OG-O 2.86Å; S736-I741 PolarHBondContact OG-N 3.22Å
737	D	92	Very high	92.2	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.102	24%	0.237	C	C	.	.			trans	-92.6	175.3	172.8	76.7	18.8	0	0	0	111	R706 L739 Y740 I741	R706-D737 HydrophobicContact CB-CB 4.22Å; D737-L739 PolarHBondContact O-N 2.85Å; D737-L739 WeakPolarHBondContact OD1-CA 3.48Å; D737-L739 WeakPolarHBondContact OD1-CB 3.43Å; D737-L739 PolarHBondContact OD1-N 2.65Å; D737-Y740 PolarHBondContact O-N 3.5Å; D737-Y740 VanDerWaalsContact OD1-CD2 3.3Å; D737-Y740 WeakPolarHBondContact OD1-CD2 3.33Å; D737-Y740 PolarHBondContact OD1-N 3Å; D737-I741 WeakPolarHBondContact O-CB 3.3Å; D737-I741 PolarHBondContact O-N 3.43Å
738	H	91	Very high	92.8	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.7	-179.9	-160.8	77.4	0	0	0	115.2	H483 S484 S646 E704 T708 I718	H483-H738 PolarHBondContact CE1-O 3.13Å; H483-H738 PolarHBondContact NE2-O 3.49Å; S484-H738 VanDerWaalsContact CB-NE2 3.25Å; S484-H738 WeakPolarHBondContact CB-NE2 3.49Å; S484-H738 PolarHBondContact OG-CE1 3.4Å; S484-H738 PolarHBondContact OG-NE2 2.82Å; S646-H738 WeakPolarHBondContact CB-ND1 3.37Å; S646-H738 PolarHBondContact O-CE1 3.16Å; S646-H738 VanDerWaalsContact O-CE1 3.3Å; E704-H738 IonicContact OE1-ND1 3.93Å; E704-H738 WeakPolarHBondContact OE2-CA 3.48Å; E704-H738 WeakPolarHBondContact OE2-CB 3.41Å; E704-H738 IonicContact OE2-CE1 3.77Å; E704-H738 IonicContact OE2-CG 3.26Å; E704-H738 VanDerWaalsContact OE2-CG 3.23Å; E704-H738 PolarHBondContact OE2-N 3.46Å; E704-H738 IonicContact OE2-ND1 2.82Å; E704-H738 PolarHBondContact OE2-ND1 2.94Å; T708-H738 WeakPolarHBondContact OG1-CB 3.37Å; T708-H738 PolarHBondContact OG1-N 3.06Å; I718-H738 HydrophobicContact CB-CB 4.04Å; I718-H738 HydrophobicContact CD1-CB 3.52Å; I718-H738 HydrophobicContact CG1-CB 4.12Å
739	L	88.7	Confident	93.2	Very high	49 Å²	49	45.1 Å²	45.1	26%	0.257	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-29.2	-175.3	-66	168.6	0	0	0	112.3	I89 T708 D737 K743	I89-L739 HydrophobicContact CD1-CD1 3.26Å; I89-L739 HydrophobicContact CD1-CD2 3.73Å; I89-L739 HydrophobicContact CD1-CG 4.12Å; T708-L739 HydrophobicContact CG2-CD1 3.48Å; T708-L739 VanDerWaalsContact CG2-CD1 3.48Å; T708-L739 HydrophobicContact CG2-CG 3.66Å; D737-L739 PolarHBondContact O-N 2.85Å; D737-L739 WeakPolarHBondContact OD1-CA 3.48Å; D737-L739 WeakPolarHBondContact OD1-CB 3.43Å; D737-L739 PolarHBondContact OD1-N 2.65Å; L739-K743 WeakPolarHBondContact O-CE 3.44Å; L739-K743 PolarHBondContact O-NZ 3.28Å
740	Y	92.9	Very high	93.5	Very high	38 Å²	38	47.9 Å²	47.9	15%	0.149	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-8.5	-174.7	-70	-74.4	0	0	0	113.4	H403 D404 S736 D737 S742 K743	H403-Y740 AromaticContact CD2-CD1 3.28Å; H403-Y740 WeakPolarHBondContact CD2-CD1 3.3Å; H403-Y740 AromaticContact CD2-CG 3.7Å; H403-Y740 AromaticContact CG-CD1 3.98Å; H403-Y740 AromaticContact NE2-CD1 3.33Å; H403-Y740 VanDerWaalsContact NE2-CD1 3.33Å; H403-Y740 WeakPolarHBondContact NE2-CD1 3.4Å; H403-Y740 AromaticContact NE2-CE1 3.82Å; H403-Y740 AromaticContact NE2-CG 3.49Å; D404-Y740 HydrophobicContact CB-CE1 4.07Å; D404-Y740 PolarHBondContact OD2-OH 2.82Å; S736-Y740 WeakPolarHBondContact OG-CB 3.35Å; S736-Y740 PolarHBondContact OG-O 2.86Å; D737-Y740 PolarHBondContact O-N 3.5Å; D737-Y740 VanDerWaalsContact OD1-CD2 3.3Å; D737-Y740 WeakPolarHBondContact OD1-CD2 3.33Å; D737-Y740 PolarHBondContact OD1-N 3Å; Y740-S742 PolarHBondContact O-N 3.29Å; Y740-K743 HydrophobicContact CD1-CB 4.3Å; Y740-K743 HydrophobicContact CD1-CD 3.8Å; Y740-K743 HydrophobicContact CE1-CD 4.21Å; Y740-K743 PolarHBondContact O-N 3.23Å
741	I	94.5	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.2	175	-166.2	172.7	0	0	0	112.6	M645 S646 M702 E704 I734 S736 D737 K743	M645-I741 HydrophobicContact CB-CG2 4.49Å; M645-I741 HydrophobicContact CE-CG1 4.36Å; M645-I741 WeakPolarHBondContact CE-O 3.13Å; S646-I741 VanDerWaalsContact OG-CD1 3.23Å; S646-I741 WeakPolarHBondContact OG-CD1 3.3Å; M702-I741 HydrophobicContact CB-CD1 4.19Å; E704-I741 HydrophobicContact CB-CD1 4.28Å; I734-I741 HydrophobicContact CB-CD1 4.14Å; I734-I741 HydrophobicContact CB-CG1 4.02Å; I734-I741 HydrophobicContact CG1-CD1 4.26Å; I734-I741 HydrophobicContact CG1-CG1 4.23Å; I734-I741 HydrophobicContact CG2-CG1 4.08Å; S736-I741 PolarHBondContact OG-N 3.22Å; D737-I741 WeakPolarHBondContact O-CB 3.3Å; D737-I741 PolarHBondContact O-N 3.43Å; I741-K743 VanDerWaalsContact C-N 3.31Å
742	S	95.3	Very high	93.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3	177.5	68.6	0	0	0	0	114.6	T399 W418 Y740 P744	T399-S742 PolarHBondContact O-OG 2.82Å; W418-S742 PolarHBondContact NE1-O 2.92Å; Y740-S742 PolarHBondContact O-N 3.29Å; S742-P744 WeakPolarHBondContact O-CD 3.45Å
743	K	95.8	Very high	94	Very high	16 Å²	16	42.5 Å²	42.5	7%	0.07	22%	0.224	C	C	.	.	S	Bend	trans	-124	76.3	-170.9	-58	-178.3	-166.6	148.7	0	110.3	R401 L739 Y740 I741	R401-K743 HydrophobicContact CG-CD 4Å; R401-K743 HydrophobicContact CG-CG 4.38Å; R401-K743 VanDerWaalsContact CZ-CE 3.44Å; R401-K743 VanDerWaalsContact CZ-NZ 3.3Å; R401-K743 VanDerWaalsContact NH1-CE 3.27Å; R401-K743 VanDerWaalsContact O-CA 3.31Å; R401-K743 WeakPolarHBondContact O-CA 3.49Å; R401-K743 VanDerWaalsContact O-CB 3.25Å; R401-K743 WeakPolarHBondContact O-CB 3.32Å; R401-K743 WeakPolarHBondContact O-CG 3.33Å; L739-K743 WeakPolarHBondContact O-CE 3.44Å; L739-K743 PolarHBondContact O-NZ 3.28Å; Y740-K743 HydrophobicContact CD1-CB 4.3Å; Y740-K743 HydrophobicContact CD1-CD 3.8Å; Y740-K743 HydrophobicContact CE1-CD 4.21Å; Y740-K743 PolarHBondContact O-N 3.23Å; I741-K743 VanDerWaalsContact C-N 3.31Å
744	P	95.8	Very high	94.1	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.201	C	C	.	.			trans	-53.3	143.7	177.8	22.4	-34.4	0	0	0	111.5	Q402 H403 W418 W422 S742 D749	Q402-P744 WeakPolarHBondContact CG-O 3.28Å; H403-P744 PolarHBondContact N-O 3.25Å; W418-P744 HydrophobicContact CB-CG 4.46Å; W418-P744 HydrophobicContact CD2-CG 3.96Å; W418-P744 HydrophobicContact CG-CG 3.79Å; W422-P744 HydrophobicContact CE3-CG 4.41Å; W422-P744 HydrophobicContact CH2-CG 4.37Å; W422-P744 HydrophobicContact CZ3-CB 3.94Å; W422-P744 HydrophobicContact CZ3-CG 3.59Å; S742-P744 WeakPolarHBondContact O-CD 3.45Å; P744-D749 HydrophobicContact CB-CB 3.73Å
745	M	92.4	Very high	94.3	Very high	79 Å²	79	35.8 Å²	35.8	39%	0.389	20%	0.2	S	C	.	.	S	Bend	trans	-71	-35.1	176.2	-69.6	-175.9	68.2	0	0	112.3	Q402 H403 M406 D749	Q402-M745 PolarHBondContact NE2-O 2.91Å; H403-M745 HydrophobicContact CB-CB 4.46Å; H403-M745 HydrophobicContact CB-CG 3.86Å; M406-M745 WeakPolarHBondContact CG-O 3.26Å; M745-D749 PolarHBondContact N-OD2 2.74Å
746	N	93	Very high	94.4	Very high	57 Å²	57	31.4 Å²	31.4	31%	0.305	18%	0.176	S	C	.	.	S	Bend	trans	-164.5	173.7	-179	54.6	61.5	0	0	0	109.4	S748 D749	N746-S748 PolarHBondContact O-N 3.07Å; N746-S748 WeakPolarHBondContact OD1-CA 3.41Å; N746-S748 VanDerWaalsContact OD1-CB 3.25Å; N746-S748 WeakPolarHBondContact OD1-CB 3.48Å; N746-S748 PolarHBondContact OD1-N 3.09Å; N746-D749 WeakPolarHBondContact O-CB 3.5Å; N746-D749 PolarHBondContact O-N 3.02Å; N746-D749 PolarHBondContact OD1-N 2.9Å
747	P	93.4	Very high	94.6	Very high	65 Å²	65	34.2 Å²	34.2	42%	0.422	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.2	177.2	-27.2	36.6	0	0	0	115.9	W422 Y752 T753	W422-P747 HydrophobicContact CD2-CG 3.88Å; W422-P747 HydrophobicContact CE3-CG 4.09Å; W422-P747 HydrophobicContact CG-CG 4.27Å; W422-P747 HydrophobicContact CZ2-CG 4.34Å; W422-P747 HydrophobicContact CZ3-CG 4.44Å; P747-Y752 HydrophobicContact CB-CD1 4.34Å; P747-Y752 HydrophobicContact CB-CE1 4.08Å; P747-Y752 WeakPolarHBondContact O-CD1 3.25Å; P747-T753 WeakPolarHBondContact O-CG2 3.46Å
748	S	94.3	Very high	94.8	Very high	101 Å²	101	34 Å²	34	71%	0.706	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.7	174.6	-54	0	0	0	0	113	N746	N746-S748 PolarHBondContact O-N 3.07Å; N746-S748 WeakPolarHBondContact OD1-CA 3.41Å; N746-S748 VanDerWaalsContact OD1-CB 3.25Å; N746-S748 WeakPolarHBondContact OD1-CB 3.48Å; N746-S748 PolarHBondContact OD1-N 3.09Å
749	D	94.9	Very high	95	Very high	33 Å²	33	33.4 Å²	33.4	18%	0.176	19%	0.185	C	C	.	.	S	Bend	trans	-61.5	142.5	179.2	-169.2	-75.6	0	0	0	111.6	P744 M745 N746 S751 Y752 T753	P744-D749 HydrophobicContact CB-CB 3.73Å; M745-D749 PolarHBondContact N-OD2 2.74Å; N746-D749 WeakPolarHBondContact O-CB 3.5Å; N746-D749 PolarHBondContact O-N 3.02Å; N746-D749 PolarHBondContact OD1-N 2.9Å; D749-S751 PolarHBondContact O-N 3.41Å; D749-S751 WeakPolarHBondContact OD1-CB 3.45Å; D749-S751 PolarHBondContact OD1-N 3.21Å; D749-S751 PolarHBondContact OD1-OG 3.08Å; D749-Y752 PolarHBondContact O-N 3.12Å; D749-T753 WeakPolarHBondContact O-CB 3.45Å; D749-T753 WeakPolarHBondContact O-CG2 3.33Å; D749-T753 PolarHBondContact O-N 3.44Å; D749-T753 PolarHBondContact O-OG1 3.03Å
750	L	96.3	Very high	95.3	Very high	89 Å²	89	33.9 Å²	33.9	47%	0.466	19%	0.186	S	C	.	.	H	α-helix	trans	-59.6	-35.2	-177.5	-176.4	62.4	0	0	0	112.4	V732 I734 T753 S754	V732-L750 HydrophobicContact CG1-CD2 4.22Å; V732-L750 HydrophobicContact CG1-CG 4.32Å; I734-L750 HydrophobicContact CD1-CB 4.27Å; I734-L750 HydrophobicContact CD1-CD2 3.92Å; I734-L750 HydrophobicContact CD1-CG 3.78Å; L750-T753 WeakPolarHBondContact CA-OG1 3.36Å; L750-T753 PolarHBondContact O-OG1 3.37Å; L750-S754 WeakPolarHBondContact O-CB 3.33Å; L750-S754 PolarHBondContact O-N 3.4Å; L750-S754 PolarHBondContact O-OG 2.98Å
751	S	95.3	Very high	95.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-50.1	179	60.4	0	0	0	0	111.2	D749 I755	D749-S751 PolarHBondContact O-N 3.41Å; D749-S751 WeakPolarHBondContact OD1-CB 3.45Å; D749-S751 PolarHBondContact OD1-N 3.21Å; D749-S751 PolarHBondContact OD1-OG 3.08Å; S751-I755 VanDerWaalsContact O-CG1 3.31Å; S751-I755 WeakPolarHBondContact O-CG1 3.1Å; S751-I755 PolarHBondContact O-N 2.92Å
752	Y	97	Very high	95.2	Very high	18 Å²	18	36.5 Å²	36.5	7%	0.071	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-49.8	178.4	177.8	-97.5	0	0	0	112	W418 W422 L423 P747 D749 S754 I755 V756	W418-Y752 AromaticContact CE3-CD2 3.73Å; W418-Y752 HydrophobicContact CE3-CD2 3.73Å; W418-Y752 AromaticContact CE3-CE2 3.93Å; W418-Y752 HydrophobicContact CE3-CE2 3.93Å; W418-Y752 AromaticContact CZ3-CD2 3.77Å; W418-Y752 HydrophobicContact CZ3-CD2 3.77Å; W418-Y752 HydrophobicContact CZ3-CE2 4.02Å; W422-Y752 HydrophobicContact CB-CE2 3.92Å; W422-Y752 AromaticContact CE3-CD2 4Å; W422-Y752 HydrophobicContact CE3-CD2 4Å; W422-Y752 HydrophobicContact CE3-CE2 4.09Å; W422-Y752 HydrophobicContact CE3-CG 4.38Å; L423-Y752 HydrophobicContact CD1-CE2 4.42Å; P747-Y752 HydrophobicContact CB-CD1 4.34Å; P747-Y752 HydrophobicContact CB-CE1 4.08Å; P747-Y752 WeakPolarHBondContact O-CD1 3.25Å; D749-Y752 PolarHBondContact O-N 3.12Å; Y752-S754 VanDerWaalsContact C-N 3.27Å; Y752-S754 PolarHBondContact O-N 2.83Å; Y752-I755 WeakPolarHBondContact O-CB 3.33Å; Y752-I755 PolarHBondContact O-N 3.04Å; Y752-I755 VanDerWaalsContact O-N 3.09Å; Y752-V756 HydrophobicContact CD1-CG2 4Å; Y752-V756 HydrophobicContact CD2-CG2 4.36Å; Y752-V756 HydrophobicContact CE1-CG2 3.55Å; Y752-V756 HydrophobicContact CE2-CG2 3.92Å; Y752-V756 HydrophobicContact CG-CG2 4.4Å; Y752-V756 VanDerWaalsContact CZ-CG2 3.5Å; Y752-V756 WeakPolarHBondContact O-CG2 3.14Å; Y752-V756 PolarHBondContact O-N 2.85Å
753	T	97	Very high	94.6	Very high	40 Å²	40	39.4 Å²	39.4	25%	0.245	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-34.8	-179.6	53.9	0	0	0	0	112.2	P747 D749 L750 N757	P747-T753 WeakPolarHBondContact O-CG2 3.46Å; D749-T753 WeakPolarHBondContact O-CB 3.45Å; D749-T753 WeakPolarHBondContact O-CG2 3.33Å; D749-T753 PolarHBondContact O-N 3.44Å; D749-T753 PolarHBondContact O-OG1 3.03Å; L750-T753 WeakPolarHBondContact CA-OG1 3.36Å; L750-T753 PolarHBondContact O-OG1 3.37Å; T753-N757 VanDerWaalsContact O-CB 3.23Å; T753-N757 WeakPolarHBondContact O-CB 3.41Å; T753-N757 PolarHBondContact O-N 3.04Å; T753-N757 PolarHBondContact O-ND2 3.47Å
754	S	96.9	Very high	94.1	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-41.3	173.8	-65.5	0	0	0	0	112.3	L750 Y752 F758	L750-S754 WeakPolarHBondContact O-CB 3.33Å; L750-S754 PolarHBondContact O-N 3.4Å; L750-S754 PolarHBondContact O-OG 2.98Å; Y752-S754 VanDerWaalsContact C-N 3.27Å; Y752-S754 PolarHBondContact O-N 2.83Å; S754-F758 WeakPolarHBondContact O-CB 3.49Å; S754-F758 PolarHBondContact O-N 3.22Å
755	I	97.1	Very high	93.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-50.5	175.7	-67.2	167.7	0	0	0	110.4	W418 I481 V643 M645 M702 S751 Y752 F758 I759	W418-I755 HydrophobicContact CH2-CD1 3.92Å; W418-I755 HydrophobicContact CZ2-CD1 4.45Å; I481-I755 HydrophobicContact CD1-CG2 3.75Å; I481-I755 HydrophobicContact CG2-CD1 4.47Å; V643-I755 HydrophobicContact CG1-CG1 4.32Å; M645-I755 HydrophobicContact CE-CD1 4.36Å; M645-I755 HydrophobicContact SD-CD1 4.32Å; M702-I755 HydrophobicContact CE-CD1 3.86Å; M702-I755 HydrophobicContact CE-CG1 3.56Å; M702-I755 HydrophobicContact SD-CG1 4.43Å; S751-I755 VanDerWaalsContact O-CG1 3.31Å; S751-I755 WeakPolarHBondContact O-CG1 3.1Å; S751-I755 PolarHBondContact O-N 2.92Å; Y752-I755 WeakPolarHBondContact O-CB 3.33Å; Y752-I755 PolarHBondContact O-N 3.04Å; Y752-I755 VanDerWaalsContact O-N 3.09Å; I755-F758 WeakPolarHBondContact O-CB 3.33Å; I755-F758 PolarHBondContact O-N 3.15Å; I755-F758 VanDerWaalsContact O-N 3.16Å; I755-I759 HydrophobicContact CG2-CD1 3.73Å; I755-I759 HydrophobicContact CG2-CG1 4.44Å; I755-I759 WeakPolarHBondContact O-CG1 3.42Å; I755-I759 PolarHBondContact O-N 3.2Å
756	V	96.9	Very high	92	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-51.4	-178.9	171.2	0	0	0	0	111.1	L423 R426 F427 Y752 F758 I759 E760	L423-V756 HydrophobicContact CD1-CG2 4.2Å; R426-V756 HydrophobicContact CG-CG1 4.25Å; F427-V756 HydrophobicContact CE2-CG1 4.43Å; F427-V756 HydrophobicContact CE2-CG2 4.44Å; F427-V756 HydrophobicContact CZ-CG1 4.27Å; Y752-V756 HydrophobicContact CD1-CG2 4Å; Y752-V756 HydrophobicContact CD2-CG2 4.36Å; Y752-V756 HydrophobicContact CE1-CG2 3.55Å; Y752-V756 HydrophobicContact CE2-CG2 3.92Å; Y752-V756 HydrophobicContact CG-CG2 4.4Å; Y752-V756 VanDerWaalsContact CZ-CG2 3.5Å; Y752-V756 WeakPolarHBondContact O-CG2 3.14Å; Y752-V756 PolarHBondContact O-N 2.85Å; V756-F758 PolarHBondContact O-N 2.92Å; V756-I759 PolarHBondContact O-N 3.35Å; V756-E760 HydrophobicContact CG1-CG 4.38Å; V756-E760 WeakPolarHBondContact CG1-OE1 3.37Å; V756-E760 WeakPolarHBondContact O-CG 3.3Å; V756-E760 PolarHBondContact O-N 3.48Å
757	N	95.9	Very high	90.4	Very high	77 Å²	77	48.6 Å²	48.6	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-33.9	177.7	-72.8	-31.3	0	0	0	111.9	T753 N761	T753-N757 VanDerWaalsContact O-CB 3.23Å; T753-N757 WeakPolarHBondContact O-CB 3.41Å; T753-N757 PolarHBondContact O-N 3.04Å; T753-N757 PolarHBondContact O-ND2 3.47Å; N757-N761 WeakPolarHBondContact O-CB 3.28Å; N757-N761 PolarHBondContact O-N 3.06Å; N757-N761 PolarHBondContact O-ND2 2.92Å
758	F	96.2	Very high	88.7	Confident	14 Å²	14	47.6 Å²	47.6	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-46.9	177	175.7	-109.3	0	0	0	111.6	A641 V643 Q698 L700 S754 I755 V756 N761 L762	A641-F758 HydrophobicContact CB-CE1 3.79Å; A641-F758 HydrophobicContact CB-CZ 3.91Å; V643-F758 HydrophobicContact CG2-CD1 3.66Å; V643-F758 HydrophobicContact CG2-CE1 3.63Å; Q698-F758 HydrophobicContact CB-CE2 3.96Å; Q698-F758 HydrophobicContact CB-CZ 3.83Å; L700-F758 HydrophobicContact CB-CD1 3.99Å; L700-F758 HydrophobicContact CB-CD2 3.88Å; L700-F758 HydrophobicContact CB-CE1 4Å; L700-F758 HydrophobicContact CB-CE2 3.91Å; L700-F758 HydrophobicContact CB-CG 3.91Å; L700-F758 HydrophobicContact CB-CZ 3.96Å; L700-F758 HydrophobicContact CD2-CB 3.82Å; L700-F758 HydrophobicContact CD2-CD1 4.21Å; L700-F758 HydrophobicContact CD2-CG 3.97Å; S754-F758 WeakPolarHBondContact O-CB 3.49Å; S754-F758 PolarHBondContact O-N 3.22Å; I755-F758 WeakPolarHBondContact O-CB 3.33Å; I755-F758 PolarHBondContact O-N 3.15Å; I755-F758 VanDerWaalsContact O-N 3.16Å; V756-F758 PolarHBondContact O-N 2.92Å; F758-N761 PolarHBondContact O-N 2.87Å; F758-L762 HydrophobicContact CZ-CD2 4.38Å; F758-L762 PolarHBondContact O-N 3.39Å
759	I	95.9	Very high	86.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-47.5	177.5	-64.9	168.1	0	0	0	110.8	F384 I386 L423 F427 I479 I481 I755 V756 N761 L762 C765	F384-I759 HydrophobicContact CE2-CG2 4.5Å; I386-I759 HydrophobicContact CD1-CD1 4.15Å; L423-I759 HydrophobicContact CD1-CD1 4.37Å; F427-I759 HydrophobicContact CD1-CG2 4.1Å; F427-I759 HydrophobicContact CE1-CB 4.28Å; F427-I759 HydrophobicContact CE1-CG2 3.53Å; F427-I759 HydrophobicContact CE2-CB 4.37Å; F427-I759 HydrophobicContact CE2-CD1 4.27Å; F427-I759 HydrophobicContact CE2-CG2 4.12Å; F427-I759 HydrophobicContact CZ-CB 3.82Å; F427-I759 HydrophobicContact CZ-CG2 3.54Å; I479-I759 HydrophobicContact CD1-CG1 4.34Å; I479-I759 HydrophobicContact CD1-CG2 3.98Å; I479-I759 HydrophobicContact CG2-CG1 4.44Å; I481-I759 HydrophobicContact CD1-CD1 4.41Å; I755-I759 HydrophobicContact CG2-CD1 3.73Å; I755-I759 HydrophobicContact CG2-CG1 4.44Å; I755-I759 WeakPolarHBondContact O-CG1 3.42Å; I755-I759 PolarHBondContact O-N 3.2Å; V756-I759 PolarHBondContact O-N 3.35Å; I759-N761 PolarHBondContact O-N 2.98Å; I759-L762 VanDerWaalsContact O-CB 3.32Å; I759-L762 WeakPolarHBondContact O-CB 3.21Å; I759-L762 WeakPolarHBondContact O-CG 3.35Å; I759-L762 PolarHBondContact O-N 3.13Å; I759-C765 PolarHBondContact O-SG 2.84Å; I759-C765 VanDerWaalsContact O-SG 3.34Å
760	E	94.4	Very high	84.1	Confident	59 Å²	59	52.6 Å²	52.6	28%	0.276	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-29.6	179.7	-72.8	173.9	-172.8	0	0	113.3	R426 F427 V756 L762	R426-E760 IonicContact CZ-OE1 2.85Å; R426-E760 IonicContact NE-OE1 3.15Å; R426-E760 PolarHBondContact NE-OE1 3.2Å; R426-E760 IonicContact NH2-OE1 2.82Å; R426-E760 PolarHBondContact NH2-OE1 3.22Å; R426-E760 IonicContact NH2-OE2 3.87Å; F427-E760 HydrophobicContact CE1-CG 3.93Å; F427-E760 HydrophobicContact CZ-CG 3.86Å; V756-E760 HydrophobicContact CG1-CG 4.38Å; V756-E760 WeakPolarHBondContact CG1-OE1 3.37Å; V756-E760 WeakPolarHBondContact O-CG 3.3Å; V756-E760 PolarHBondContact O-N 3.48Å; E760-L762 VanDerWaalsContact C-N 3.34Å
761	N	93.3	Very high	81.5	Confident	92 Å²	92	54.6 Å²	54.6	49%	0.492	30%	0.295	S	S	.	.	H	α-helix	trans	-81.9	-11.4	-179.8	-82.2	-51.8	0	0	0	114.2	N757 F758 I759 K766	N757-N761 WeakPolarHBondContact O-CB 3.28Å; N757-N761 PolarHBondContact O-N 3.06Å; N757-N761 PolarHBondContact O-ND2 2.92Å; F758-N761 PolarHBondContact O-N 2.87Å; I759-N761 PolarHBondContact O-N 2.98Å; N761-K766 WeakPolarHBondContact O-CE 3.35Å; N761-K766 PolarHBondContact O-NZ 3.39Å; N761-K766 VanDerWaalsContact O-NZ 3.12Å
762	L	93.2	Very high	78.9	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	33%	0.329	C	S	.	.	S	Bend	trans	-63.9	143.1	175.7	-59.2	179	0	0	0	110.4	I479 A641 Q698 F758 I759 E760 L764 C765 K766	I479-L762 HydrophobicContact CD1-CD1 3.41Å; I479-L762 VanDerWaalsContact CD1-CD1 3.41Å; I479-L762 HydrophobicContact CG1-CD1 3.79Å; A641-L762 HydrophobicContact CB-CD1 3.79Å; A641-L762 HydrophobicContact CB-CD2 3.91Å; Q698-L762 HydrophobicContact CB-CD2 3.95Å; Q698-L762 VanDerWaalsContact CD-CD2 3.41Å; Q698-L762 HydrophobicContact CG-CD2 4.15Å; Q698-L762 VanDerWaalsContact NE2-CD2 3.32Å; F758-L762 HydrophobicContact CZ-CD2 4.38Å; F758-L762 PolarHBondContact O-N 3.39Å; I759-L762 VanDerWaalsContact O-CB 3.32Å; I759-L762 WeakPolarHBondContact O-CB 3.21Å; I759-L762 WeakPolarHBondContact O-CG 3.35Å; I759-L762 PolarHBondContact O-N 3.13Å; E760-L762 VanDerWaalsContact C-N 3.34Å; L762-L764 HydrophobicContact CB-CD2 4.25Å; L762-L764 HydrophobicContact CB-CG 4.18Å; L762-L764 HydrophobicContact CD1-CD2 4.21Å; L762-L764 PolarHBondContact O-N 3.33Å; L762-C765 PolarHBondContact O-N 3.45Å; L762-C765 VanDerWaalsContact O-N 3.1Å; L762-K766 PolarHBondContact O-N 3.42Å
763	S	82.2	Confident	76.2	Confident	62 Å²	62	65.7 Å²	65.7	43%	0.434	36%	0.36	S	S	.	.	H	α-helix	trans	-56.4	-36.6	-179	46.1	0	0	0	0	112.8	C765 K766 Q767	S763-C765 VanDerWaalsContact C-N 3.29Å; S763-C765 PolarHBondContact O-N 3.18Å; S763-K766 PolarHBondContact O-N 2.76Å; S763-K766 VanDerWaalsContact O-N 3.16Å; S763-Q767 PolarHBondContact O-N 2.68Å
764	L	84.6	Confident	73.7	Confident	24 Å²	24	67.8 Å²	67.8	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-62.4	-33.9	179.4	73.4	95.2	0	0	0	112.7	F384 P477 I479 Q640 L762	F384-L764 HydrophobicContact CB-CD1 4.1Å; F384-L764 HydrophobicContact CD1-CD1 3.3Å; F384-L764 HydrophobicContact CD2-CD1 4.13Å; F384-L764 HydrophobicContact CE1-CD1 3.59Å; F384-L764 HydrophobicContact CE2-CD1 4.34Å; F384-L764 HydrophobicContact CG-CD1 3.6Å; F384-L764 HydrophobicContact CZ-CD1 4.11Å; P477-L764 HydrophobicContact CB-CD2 4.23Å; I479-L764 HydrophobicContact CD1-CD2 4.43Å; Q640-L764 HydrophobicContact CB-CD2 4.14Å; Q640-L764 HydrophobicContact CG-CD2 4.08Å; L762-L764 HydrophobicContact CB-CD2 4.25Å; L762-L764 HydrophobicContact CB-CG 4.18Å; L762-L764 HydrophobicContact CD1-CD2 4.21Å; L762-L764 PolarHBondContact O-N 3.33Å
765	C	77.7	Confident	70.8	Confident	18 Å²	18	76.6 Å²	76.6	12%	0.122	41%	0.406	C	S	.	.	H	α-helix	trans	-79.1	-25.9	177.7	-64.6	0	0	0	0	112.3	I759 L762 S763 Q767	I759-C765 PolarHBondContact O-SG 2.84Å; I759-C765 VanDerWaalsContact O-SG 3.34Å; L762-C765 PolarHBondContact O-N 3.45Å; L762-C765 VanDerWaalsContact O-N 3.1Å; S763-C765 VanDerWaalsContact C-N 3.29Å; S763-C765 PolarHBondContact O-N 3.18Å; C765-Q767 VanDerWaalsContact C-N 3.34Å
766	K	66.9	Low	67.6	Low	137 Å²	137	85.8 Å²	85.8	60%	0.596	45%	0.446	S	S	*	.	H	α-helix	trans	-75.6	-21.4	179.7	-69.6	177.6	176.8	166.3	0	113.7	N761 L762 S763 L768	N761-K766 WeakPolarHBondContact O-CE 3.35Å; N761-K766 PolarHBondContact O-NZ 3.39Å; N761-K766 VanDerWaalsContact O-NZ 3.12Å; L762-K766 PolarHBondContact O-N 3.42Å; S763-K766 PolarHBondContact O-N 2.76Å; S763-K766 VanDerWaalsContact O-N 3.16Å; K766-L768 VanDerWaalsContact C-N 3.32Å
767	Q	59.9	Low	64.8	Low	167 Å²	167	90.6 Å²	90.6	78%	0.78	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.4	180	-69.3	177.8	-7.6	0	0	113.2	S763 C765	S763-Q767 PolarHBondContact O-N 2.68Å; C765-Q767 VanDerWaalsContact C-N 3.34Å
768	L	56.5	Low	61.9	Low	44 Å²	44	100.4 Å²	100.4	23%	0.23	52%	0.517	C	S	.	.	S	Bend	trans	-94.3	138.9	-178.3	-64.3	169.1	0	0	0	110.6	D383 F384 Q429 K766 V770	D383-L768 HydrophobicContact CB-CD1 4.46Å; D383-L768 WeakPolarHBondContact OD2-CD1 3.49Å; D383-L768 VanDerWaalsContact OD2-CD2 3.25Å; D383-L768 WeakPolarHBondContact OD2-CD2 3.5Å; F384-L768 HydrophobicContact CE1-CD1 4.48Å; Q429-L768 HydrophobicContact CG-CD1 4.02Å; K766-L768 VanDerWaalsContact C-N 3.32Å; L768-V770 PolarHBondContact O-N 3.48Å
769	P	46.9	Very low	60.2	Low	121 Å²	121	104.8 Å²	104.8	79%	0.786	54%	0.54	S	S	*	.			trans	-61.3	114.7	175.8	24	-30.7	0	0	0	109.4	N771	P769-N771 PolarHBondContact O-N 2.57Å
770	V	45.6	Very low	58.3	Low	118 Å²	118	110.3 Å²	110.3	72%	0.715	57%	0.569	S	S	*	*			trans	-63.4	105.2	177.1	-176.6	0	0	0	0	108.2	L768 T772	L768-V770 PolarHBondContact O-N 3.48Å; V770-T772 VanDerWaalsContact C-N 3.33Å; V770-T772 HydrophobicContact CB-CG2 4.41Å; V770-T772 HydrophobicContact CG1-CG2 3.65Å; V770-T772 PolarHBondContact O-N 3.14Å
771	N	42.5	Very low	56.3	Low	130 Å²	130	113.1 Å²	113.1	70%	0.695	59%	0.585	S	S	*	*			trans	-75.9	89.5	171.2	-148.4	-12	0	0	0	107.9	P769 N773	P769-N771 PolarHBondContact O-N 2.57Å; N771-N773 PolarHBondContact O-N 3.39Å
772	T	41.1	Very low	54.1	Low	119 Å²	119	114.4 Å²	114.4	73%	0.73	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	19	-176.9	44.4	0	0	0	0	114.6	V770	V770-T772 VanDerWaalsContact C-N 3.33Å; V770-T772 HydrophobicContact CB-CG2 4.41Å; V770-T772 HydrophobicContact CG1-CG2 3.65Å; V770-T772 PolarHBondContact O-N 3.14Å
773	N	39.1	Very low	51.7	Low	136 Å²	136	121.4 Å²	121.4	73%	0.727	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	9.7	-175.2	-82.6	-22.8	0	0	0	115.6	N771 K775	N771-N773 PolarHBondContact O-N 3.39Å; N773-K775 PolarHBondContact O-N 3Å; N773-K775 VanDerWaalsContact O-N 3.12Å
774	I	45.8	Very low	49.6	Very low	84 Å²	84	125.3 Å²	125.3	43%	0.431	64%	0.639	S	S	.	*			trans	-82.6	97.4	172.5	-54.4	178.9	0	0	0	108.5	K776	I774-K776 PolarHBondContact O-N 3.23Å
775	K	35.8	Very low	47.1	Very low	192 Å²	192	132.6 Å²	132.6	84%	0.835	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-49.8	127.7	166.2	-72.7	179	177.3	177.3	0	108.6	N773	N773-K775 PolarHBondContact O-N 3Å; N773-K775 VanDerWaalsContact O-N 3.12Å
776	K	29.6	Very low	44.8	Very low	194 Å²	194	141.4 Å²	141.4	84%	0.843	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-46	124.6	167.6	-76.3	178.9	173.7	-179.9	0	109.1	I774	I774-K776 PolarHBondContact O-N 3.23Å
777	P	37.8	Very low	42.9	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-69.7	135.7	162.1	30	-28.4	0	0	0	107.6
778	F	34.7	Very low	41.4	Very low	283 Å²	283	139.5 Å²	139.5	100%	1.241	72%	0.724	S	S	*	*			trans	-65	0	175.3	-91.1	-89.7	0	0	0	112.2

Retrieved 778 of 778 residues in 455.5 ms (Link to these results)

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